# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a4c46300-2795-41d5-a056-767cb9c57e61/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for Na3Sr7Ta3Ti7O30 / Pm (6) / materials id 40519](https://mdr.nims.go.jp/datasets/90152d38-f95b-4330-b332-e3f41a6ad437) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pm" number: 6 Hall_symbol: "P -2y"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.839968800000000, 0.000000000000000, 0.000453560000000 ] # a - [ 0.000000000000000, 3.919888810000000, 0.000000000000000 ] # b - [ -0.016942740000000, 0.000000000000000, 19.508360459999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.513018880000000, 0.000000000000000, 0.007616470000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.489228340000000, 0.000000000000000, 0.791136200000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.035576970000000, 0.000000000000000, 0.795364940000000 ] mass: 22.989769 - symbol: O # 4 coordinates: [ 0.244020340000000, 0.000000000000000, 0.102034530000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.237803420000000, 0.000000000000000, 0.902068030000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.749527020000000, 0.000000000000000, 0.903458910000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.255241510000000, 0.500000000000000, 0.200654970000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.497030810000000, 0.500000000000000, 0.096952860000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.778379070000000, 0.500000000000000, 0.001104260000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.995549800000000, 0.500000000000000, 0.108591910000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.213834790000000, 0.500000000000000, 0.001001450000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.496836570000000, 0.500000000000000, 0.302337370000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.735405760000000, 0.500000000000000, 0.201256980000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.227933630000000, 0.500000000000000, 0.599730960000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.496123150000000, 0.500000000000000, 0.504460110000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.741316950000000, 0.500000000000000, 0.400562290000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.996306770000000, 0.500000000000000, 0.299898120000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.249498180000000, 0.500000000000000, 0.400526180000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.496790420000000, 0.500000000000000, 0.686936530000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.765884890000000, 0.500000000000000, 0.600568210000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.497862390000000, 0.500000000000000, 0.916485890000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.705009710000000, 0.500000000000000, 0.800840380000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.997408800000000, 0.500000000000000, 0.709530580000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.279809340000000, 0.500000000000000, 0.800182200000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.996408940000000, 0.500000000000000, 0.495821370000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.996844070000000, 0.500000000000000, 0.889057480000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.245678360000000, 0.000000000000000, 0.300900910000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.246655000000000, 0.000000000000000, 0.500337160000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.749096820000000, 0.000000000000000, 0.102206770000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.246683150000000, 0.000000000000000, 0.697209950000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.746849800000000, 0.000000000000000, 0.301248310000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.744877100000000, 0.000000000000000, 0.500883470000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.743278670000000, 0.000000000000000, 0.698277040000000 ] mass: 15.999400 - symbol: Sr # 34 coordinates: [ 0.003093810000000, 0.000000000000000, 0.006690170000000 ] mass: 87.620000 - symbol: Sr # 35 coordinates: [ 0.504283130000000, 0.000000000000000, 0.197324570000000 ] mass: 87.620000 - symbol: Sr # 36 coordinates: [ 0.504037150000000, 0.000000000000000, 0.397942870000000 ] mass: 87.620000 - symbol: Sr # 37 coordinates: [ 0.007900190000000, 0.000000000000000, 0.199153080000000 ] mass: 87.620000 - symbol: Sr # 38 coordinates: [ 0.005534650000000, 0.000000000000000, 0.397631530000000 ] mass: 87.620000 - symbol: Sr # 39 coordinates: [ 0.496468270000000, 0.000000000000000, 0.596408120000000 ] mass: 87.620000 - symbol: Sr # 40 coordinates: [ 0.008829710000000, 0.000000000000000, 0.596532530000000 ] mass: 87.620000 - symbol: Ta # 41 coordinates: [ 0.753261230000000, 0.500000000000000, 0.702013930000000 ] mass: 180.947880 - symbol: Ta # 42 coordinates: [ 0.256733120000000, 0.500000000000000, 0.898608920000000 ] mass: 180.947880 - symbol: Ta # 43 coordinates: [ 0.749807010000000, 0.500000000000000, 0.900143220000000 ] mass: 180.947880 - symbol: Ti # 44 coordinates: [ 0.261053510000000, 0.500000000000000, 0.097920420000000 ] mass: 47.867000 - symbol: Ti # 45 coordinates: [ 0.754963080000000, 0.500000000000000, 0.298345230000000 ] mass: 47.867000 - symbol: Ti # 46 coordinates: [ 0.257971450000000, 0.500000000000000, 0.297861970000000 ] mass: 47.867000 - symbol: Ti # 47 coordinates: [ 0.757031690000000, 0.500000000000000, 0.100500170000000 ] mass: 47.867000 - symbol: Ti # 48 coordinates: [ 0.254254220000000, 0.500000000000000, 0.497857290000000 ] mass: 47.867000 - symbol: Ti # 49 coordinates: [ 0.256780620000000, 0.500000000000000, 0.698400680000000 ] mass: 47.867000 - symbol: Ti # 50 coordinates: [ 0.756227660000000, 0.500000000000000, 0.497422600000000 ] mass: 47.867000 reciprocal_lattice: # without 2pi - [ 0.127551521602498, 0.000000000000000, 0.000110776724243 ] # a* - [ 0.000000000000000, 0.255109276938904, 0.000000000000000 ] # b* - [ -0.000002965511543, 0.000000000000000, 0.051260071383575 ] # c*unit_cell: lattice: - [ 7.839968800000000, 0.000000000000000, 0.000453560000000 ] # a - [ 0.000000000000000, 3.919888810000000, 0.000000000000000 ] # b - [ -0.016942740000000, 0.000000000000000, 19.508360459999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.513018880000000, 0.000000000000000, 0.007616470000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.489228340000000, 0.000000000000000, 0.791136200000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.035576970000000, 0.000000000000000, 0.795364940000000 ] mass: 22.989769 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.244020340000000, 0.000000000000000, 0.102034530000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.237803420000000, 0.000000000000000, 0.902068030000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.749527020000000, 0.000000000000000, 0.903458910000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.255241510000000, 0.500000000000000, 0.200654970000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.497030810000000, 0.500000000000000, 0.096952860000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.778379070000000, 0.500000000000000, 0.001104260000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.995549800000000, 0.500000000000000, 0.108591910000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.213834790000000, 0.500000000000000, 0.001001450000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.496836570000000, 0.500000000000000, 0.302337370000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.735405760000000, 0.500000000000000, 0.201256980000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.227933630000000, 0.500000000000000, 0.599730960000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.496123150000000, 0.500000000000000, 0.504460110000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.741316950000000, 0.500000000000000, 0.400562290000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.996306770000000, 0.500000000000000, 0.299898120000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.249498180000000, 0.500000000000000, 0.400526180000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.496790420000000, 0.500000000000000, 0.686936530000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.765884890000000, 0.500000000000000, 0.600568210000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.497862390000000, 0.500000000000000, 0.916485890000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.705009710000000, 0.500000000000000, 0.800840380000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.997408800000000, 0.500000000000000, 0.709530580000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.279809340000000, 0.500000000000000, 0.800182200000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.996408940000000, 0.500000000000000, 0.495821370000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.996844070000000, 0.500000000000000, 0.889057480000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.245678360000000, 0.000000000000000, 0.300900910000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.246655000000000, 0.000000000000000, 0.500337160000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.749096820000000, 0.000000000000000, 0.102206770000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.246683150000000, 0.000000000000000, 0.697209950000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.746849800000000, 0.000000000000000, 0.301248310000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.744877100000000, 0.000000000000000, 0.500883470000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.743278670000000, 0.000000000000000, 0.698277040000000 ] mass: 15.999400 reduced_to: 33 - symbol: Sr # 34 coordinates: [ 0.003093810000000, 0.000000000000000, 0.006690170000000 ] mass: 87.620000 reduced_to: 34 - symbol: Sr # 35 coordinates: [ 0.504283130000000, 0.000000000000000, 0.197324570000000 ] mass: 87.620000 reduced_to: 35 - symbol: Sr # 36 coordinates: [ 0.504037150000000, 0.000000000000000, 0.397942870000000 ] mass: 87.620000 reduced_to: 36 - symbol: Sr # 37 coordinates: [ 0.007900190000000, 0.000000000000000, 0.199153080000000 ] mass: 87.620000 reduced_to: 37 - symbol: Sr # 38 coordinates: [ 0.005534650000000, 0.000000000000000, 0.397631530000000 ] mass: 87.620000 reduced_to: 38 - symbol: Sr # 39 coordinates: [ 0.496468270000000, 0.000000000000000, 0.596408120000000 ] mass: 87.620000 reduced_to: 39 - symbol: Sr # 40 coordinates: [ 0.008829710000000, 0.000000000000000, 0.596532530000000 ] mass: 87.620000 reduced_to: 40 - symbol: Ta # 41 coordinates: [ 0.753261230000000, 0.500000000000000, 0.702013930000000 ] mass: 180.947880 reduced_to: 41 - symbol: Ta # 42 coordinates: [ 0.256733120000000, 0.500000000000000, 0.898608920000000 ] mass: 180.947880 reduced_to: 42 - symbol: Ta # 43 coordinates: [ 0.749807010000000, 0.500000000000000, 0.900143220000000 ] mass: 180.947880 reduced_to: 43 - symbol: Ti # 44 coordinates: [ 0.261053510000000, 0.500000000000000, 0.097920420000000 ] mass: 47.867000 reduced_to: 44 - symbol: Ti # 45 coordinates: [ 0.754963080000000, 0.500000000000000, 0.298345230000000 ] mass: 47.867000 reduced_to: 45 - symbol: Ti # 46 coordinates: [ 0.257971450000000, 0.500000000000000, 0.297861970000000 ] mass: 47.867000 reduced_to: 46 - symbol: Ti # 47 coordinates: [ 0.757031690000000, 0.500000000000000, 0.100500170000000 ] mass: 47.867000 reduced_to: 47 - symbol: Ti # 48 coordinates: [ 0.254254220000000, 0.500000000000000, 0.497857290000000 ] mass: 47.867000 reduced_to: 48 - symbol: Ti # 49 coordinates: [ 0.256780620000000, 0.500000000000000, 0.698400680000000 ] mass: 47.867000 reduced_to: 49 - symbol: Ti # 50 coordinates: [ 0.756227660000000, 0.500000000000000, 0.497422600000000 ] mass: 47.867000 reduced_to: 50supercell: lattice: - [ 7.839968800000000, 0.000000000000000, 0.000453560000000 ] # a - [ 0.000000000000000, 11.759666429999999, 0.000000000000000 ] # b - [ -0.016942740000000, 0.000000000000000, 19.508360459999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.513018880000000, 0.000000000000000, 0.007616470000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.513018880000000, 0.333333333333333, 0.007616470000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.513018880000000, 0.666666666666667, 0.007616470000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.489228340000000, 0.000000000000000, 0.791136200000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.489228340000000, 0.333333333333333, 0.791136200000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 6 coordinates: [ 0.489228340000000, 0.666666666666667, 0.791136200000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 7 coordinates: [ 0.035576970000000, 0.000000000000000, 0.795364940000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.035576970000000, 0.333333333333333, 0.795364940000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.035576970000000, 0.666666666666667, 0.795364940000000 ] mass: 22.989769 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.244020340000000, 0.000000000000000, 0.102034530000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.244020340000000, 0.333333333333333, 0.102034530000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 12 coordinates: [ 0.244020340000000, 0.666666666666667, 0.102034530000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 13 coordinates: [ 0.237803420000000, 0.000000000000000, 0.902068030000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.237803420000000, 0.333333333333333, 0.902068030000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.237803420000000, 0.666666666666667, 0.902068030000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.749527020000000, 0.000000000000000, 0.903458910000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.749527020000000, 0.333333333333333, 0.903458910000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 18 coordinates: [ 0.749527020000000, 0.666666666666667, 0.903458910000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 19 coordinates: [ 0.255241510000000, 0.166666666666667, 0.200654970000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.255241510000000, 0.500000000000000, 0.200654970000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.255241510000000, 0.833333333333333, 0.200654970000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.497030810000000, 0.166666666666667, 0.096952860000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.497030810000000, 0.500000000000000, 0.096952860000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 24 coordinates: [ 0.497030810000000, 0.833333333333333, 0.096952860000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 25 coordinates: [ 0.778379070000000, 0.166666666666667, 0.001104260000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.778379070000000, 0.500000000000000, 0.001104260000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.778379070000000, 0.833333333333333, 0.001104260000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.995549800000000, 0.166666666666667, 0.108591910000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.995549800000000, 0.500000000000000, 0.108591910000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 30 coordinates: [ 0.995549800000000, 0.833333333333333, 0.108591910000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 31 coordinates: [ 0.213834790000000, 0.166666666666667, 0.001001450000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.213834790000000, 0.500000000000000, 0.001001450000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.213834790000000, 0.833333333333333, 0.001001450000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.496836570000000, 0.166666666666667, 0.302337370000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.496836570000000, 0.500000000000000, 0.302337370000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 36 coordinates: [ 0.496836570000000, 0.833333333333333, 0.302337370000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 37 coordinates: [ 0.735405760000000, 0.166666666666667, 0.201256980000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.735405760000000, 0.500000000000000, 0.201256980000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.735405760000000, 0.833333333333333, 0.201256980000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.227933630000000, 0.166666666666667, 0.599730960000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.227933630000000, 0.500000000000000, 0.599730960000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.227933630000000, 0.833333333333333, 0.599730960000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.496123150000000, 0.166666666666667, 0.504460110000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.496123150000000, 0.500000000000000, 0.504460110000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.496123150000000, 0.833333333333333, 0.504460110000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.741316950000000, 0.166666666666667, 0.400562290000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.741316950000000, 0.500000000000000, 0.400562290000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.741316950000000, 0.833333333333333, 0.400562290000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.996306770000000, 0.166666666666667, 0.299898120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.996306770000000, 0.500000000000000, 0.299898120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.996306770000000, 0.833333333333333, 0.299898120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.249498180000000, 0.166666666666667, 0.400526180000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.249498180000000, 0.500000000000000, 0.400526180000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.249498180000000, 0.833333333333333, 0.400526180000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.496790420000000, 0.166666666666667, 0.686936530000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.496790420000000, 0.500000000000000, 0.686936530000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.496790420000000, 0.833333333333333, 0.686936530000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.765884890000000, 0.166666666666667, 0.600568210000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.765884890000000, 0.500000000000000, 0.600568210000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.765884890000000, 0.833333333333333, 0.600568210000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.497862390000000, 0.166666666666667, 0.916485890000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.497862390000000, 0.500000000000000, 0.916485890000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.497862390000000, 0.833333333333333, 0.916485890000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.705009710000000, 0.166666666666667, 0.800840380000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.705009710000000, 0.500000000000000, 0.800840380000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.705009710000000, 0.833333333333333, 0.800840380000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.997408800000000, 0.166666666666667, 0.709530580000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.997408800000000, 0.500000000000000, 0.709530580000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.997408800000000, 0.833333333333333, 0.709530580000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.279809340000000, 0.166666666666667, 0.800182200000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.279809340000000, 0.500000000000000, 0.800182200000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.279809340000000, 0.833333333333333, 0.800182200000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.996408940000000, 0.166666666666667, 0.495821370000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.996408940000000, 0.500000000000000, 0.495821370000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.996408940000000, 0.833333333333333, 0.495821370000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.996844070000000, 0.166666666666667, 0.889057480000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.996844070000000, 0.500000000000000, 0.889057480000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.996844070000000, 0.833333333333333, 0.889057480000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.245678360000000, 0.000000000000000, 0.300900910000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.245678360000000, 0.333333333333333, 0.300900910000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.245678360000000, 0.666666666666667, 0.300900910000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.246655000000000, 0.000000000000000, 0.500337160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.246655000000000, 0.333333333333333, 0.500337160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.246655000000000, 0.666666666666667, 0.500337160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 85 coordinates: [ 0.749096820000000, 0.000000000000000, 0.102206770000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.749096820000000, 0.333333333333333, 0.102206770000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.749096820000000, 0.666666666666667, 0.102206770000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.246683150000000, 0.000000000000000, 0.697209950000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.246683150000000, 0.333333333333333, 0.697209950000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 90 coordinates: [ 0.246683150000000, 0.666666666666667, 0.697209950000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 91 coordinates: [ 0.746849800000000, 0.000000000000000, 0.301248310000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.746849800000000, 0.333333333333333, 0.301248310000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.746849800000000, 0.666666666666667, 0.301248310000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.744877100000000, 0.000000000000000, 0.500883470000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.744877100000000, 0.333333333333333, 0.500883470000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 96 coordinates: [ 0.744877100000000, 0.666666666666667, 0.500883470000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 97 coordinates: [ 0.743278670000000, 0.000000000000000, 0.698277040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.743278670000000, 0.333333333333333, 0.698277040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.743278670000000, 0.666666666666667, 0.698277040000000 ] mass: 15.999400 reduced_to: 97 - symbol: Sr # 100 coordinates: [ 0.003093810000000, 0.000000000000000, 0.006690170000000 ] mass: 87.620000 reduced_to: 100 - symbol: Sr # 101 coordinates: [ 0.003093810000000, 0.333333333333333, 0.006690170000000 ] mass: 87.620000 reduced_to: 100 - symbol: Sr # 102 coordinates: [ 0.003093810000000, 0.666666666666667, 0.006690170000000 ] mass: 87.620000 reduced_to: 100 - symbol: Sr # 103 coordinates: [ 0.504283130000000, 0.000000000000000, 0.197324570000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 104 coordinates: [ 0.504283130000000, 0.333333333333333, 0.197324570000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 105 coordinates: [ 0.504283130000000, 0.666666666666667, 0.197324570000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 106 coordinates: [ 0.504037150000000, 0.000000000000000, 0.397942870000000 ] mass: 87.620000 reduced_to: 106 - symbol: Sr # 107 coordinates: [ 0.504037150000000, 0.333333333333333, 0.397942870000000 ] mass: 87.620000 reduced_to: 106 - symbol: Sr # 108 coordinates: [ 0.504037150000000, 0.666666666666667, 0.397942870000000 ] mass: 87.620000 reduced_to: 106 - symbol: Sr # 109 coordinates: [ 0.007900190000000, 0.000000000000000, 0.199153080000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 110 coordinates: [ 0.007900190000000, 0.333333333333333, 0.199153080000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 111 coordinates: [ 0.007900190000000, 0.666666666666667, 0.199153080000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 112 coordinates: [ 0.005534650000000, 0.000000000000000, 0.397631530000000 ] mass: 87.620000 reduced_to: 112 - symbol: Sr # 113 coordinates: [ 0.005534650000000, 0.333333333333333, 0.397631530000000 ] mass: 87.620000 reduced_to: 112 - symbol: Sr # 114 coordinates: [ 0.005534650000000, 0.666666666666667, 0.397631530000000 ] mass: 87.620000 reduced_to: 112 - symbol: Sr # 115 coordinates: [ 0.496468270000000, 0.000000000000000, 0.596408120000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 116 coordinates: [ 0.496468270000000, 0.333333333333333, 0.596408120000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 117 coordinates: [ 0.496468270000000, 0.666666666666667, 0.596408120000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 118 coordinates: [ 0.008829710000000, 0.000000000000000, 0.596532530000000 ] mass: 87.620000 reduced_to: 118 - symbol: Sr # 119 coordinates: [ 0.008829710000000, 0.333333333333333, 0.596532530000000 ] mass: 87.620000 reduced_to: 118 - symbol: Sr # 120 coordinates: [ 0.008829710000000, 0.666666666666667, 0.596532530000000 ] mass: 87.620000 reduced_to: 118 - symbol: Ta # 121 coordinates: [ 0.753261230000000, 0.166666666666667, 0.702013930000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 122 coordinates: [ 0.753261230000000, 0.500000000000000, 0.702013930000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 123 coordinates: [ 0.753261230000000, 0.833333333333333, 0.702013930000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 124 coordinates: [ 0.256733120000000, 0.166666666666667, 0.898608920000000 ] mass: 180.947880 reduced_to: 124 - symbol: Ta # 125 coordinates: [ 0.256733120000000, 0.500000000000000, 0.898608920000000 ] mass: 180.947880 reduced_to: 124 - symbol: Ta # 126 coordinates: [ 0.256733120000000, 0.833333333333333, 0.898608920000000 ] mass: 180.947880 reduced_to: 124 - symbol: Ta # 127 coordinates: [ 0.749807010000000, 0.166666666666667, 0.900143220000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 128 coordinates: [ 0.749807010000000, 0.500000000000000, 0.900143220000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 129 coordinates: [ 0.749807010000000, 0.833333333333333, 0.900143220000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ti # 130 coordinates: [ 0.261053510000000, 0.166666666666667, 0.097920420000000 ] mass: 47.867000 reduced_to: 130 - symbol: Ti # 131 coordinates: [ 0.261053510000000, 0.500000000000000, 0.097920420000000 ] mass: 47.867000 reduced_to: 130 - symbol: Ti # 132 coordinates: [ 0.261053510000000, 0.833333333333333, 0.097920420000000 ] mass: 47.867000 reduced_to: 130 - symbol: Ti # 133 coordinates: [ 0.754963080000000, 0.166666666666667, 0.298345230000000 ] mass: 47.867000 reduced_to: 133 - symbol: Ti # 134 coordinates: [ 0.754963080000000, 0.500000000000000, 0.298345230000000 ] mass: 47.867000 reduced_to: 133 - symbol: Ti # 135 coordinates: [ 0.754963080000000, 0.833333333333333, 0.298345230000000 ] mass: 47.867000 reduced_to: 133 - symbol: Ti # 136 coordinates: [ 0.257971450000000, 0.166666666666667, 0.297861970000000 ] mass: 47.867000 reduced_to: 136 - symbol: Ti # 137 coordinates: [ 0.257971450000000, 0.500000000000000, 0.297861970000000 ] mass: 47.867000 reduced_to: 136 - symbol: Ti # 138 coordinates: [ 0.257971450000000, 0.833333333333333, 0.297861970000000 ] mass: 47.867000 reduced_to: 136 - symbol: Ti # 139 coordinates: [ 0.757031690000000, 0.166666666666667, 0.100500170000000 ] mass: 47.867000 reduced_to: 139 - symbol: Ti # 140 coordinates: [ 0.757031690000000, 0.500000000000000, 0.100500170000000 ] mass: 47.867000 reduced_to: 139 - symbol: Ti # 141 coordinates: [ 0.757031690000000, 0.833333333333333, 0.100500170000000 ] mass: 47.867000 reduced_to: 139 - symbol: Ti # 142 coordinates: [ 0.254254220000000, 0.166666666666667, 0.497857290000000 ] mass: 47.867000 reduced_to: 142 - symbol: Ti # 143 coordinates: [ 0.254254220000000, 0.500000000000000, 0.497857290000000 ] mass: 47.867000 reduced_to: 142 - symbol: Ti # 144 coordinates: [ 0.254254220000000, 0.833333333333333, 0.497857290000000 ] mass: 47.867000 reduced_to: 142 - symbol: Ti # 145 coordinates: [ 0.256780620000000, 0.166666666666667, 0.698400680000000 ] mass: 47.867000 reduced_to: 145 - symbol: Ti # 146 coordinates: [ 0.256780620000000, 0.500000000000000, 0.698400680000000 ] mass: 47.867000 reduced_to: 145 - symbol: Ti # 147 coordinates: [ 0.256780620000000, 0.833333333333333, 0.698400680000000 ] mass: 47.867000 reduced_to: 145 - symbol: Ti # 148 coordinates: [ 0.756227660000000, 0.166666666666667, 0.497422600000000 ] mass: 47.867000 reduced_to: 148 - symbol: Ti # 149 coordinates: [ 0.756227660000000, 0.500000000000000, 0.497422600000000 ] mass: 47.867000 reduced_to: 148 - symbol: Ti # 150 coordinates: [ 0.756227660000000, 0.833333333333333, 0.497422600000000 ] mass: 47.867000 reduced_to: 148displacements:- atom: 1 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0142983400000000, 0.0000000000000000, -0.0001177000000000 ] - [ -0.0010393500000000, -0.0000446400000000, -0.0000346200000000 ] - [ -0.0010393500000000, 0.0000446400000000, -0.0000346200000000 ] - [ -0.0006094300000000, 0.0000000000000000, 0.0001278800000000 ] - [ -0.0002918900000000, -0.0000192700000000, 0.0000762900000000 ] - [ -0.0002918900000000, 0.0000192700000000, 0.0000762900000000 ] - [ 0.0003144500000000, 0.0000000000000000, 0.0003655600000000 ] - [ -0.0000155200000000, 0.0000016400000000, 0.0003052600000000 ] - [ -0.0000155200000000, -0.0000016400000000, 0.0003052600000000 ] - [ 0.0022856400000000, 0.0000000000000000, -0.0003540300000000 ] - [ 0.0043263200000000, 0.0009571600000000, -0.0033556600000000 ] - [ 0.0043263200000000, -0.0009571600000000, -0.0033556600000000 ] - [ 0.0077962300000000, 0.0000000000000000, -0.0064860800000000 ] - [ 0.0094840800000000, 0.0009288100000000, -0.0037480700000000 ] - [ 0.0094840800000000, -0.0009288100000000, -0.0037480700000000 ] - [ 0.0004218700000000, 0.0000000000000000, -0.0042794800000000 ] - [ 0.0015308700000000, -0.0011558000000000, -0.0068438200000000 ] - [ 0.0015308700000000, 0.0011558000000000, -0.0068438200000000 ] - [ -0.0007267300000000, 0.0003866000000000, -0.0002412400000000 ] - [ -0.0006673200000000, 0.0000000000000000, -0.0010613700000000 ] - [ -0.0007267300000000, -0.0003866000000000, -0.0002412400000000 ] - [ 0.0059633300000000, 0.0002793000000000, 0.0006009800000000 ] - [ 0.0024155200000000, 0.0000000000000000, 0.0002616600000000 ] - [ 0.0059633300000000, -0.0002793000000000, 0.0006009800000000 ] - [ -0.0020729500000000, -0.0032251300000000, -0.0014731900000000 ] - [ -0.0004372000000000, 0.0000000000000000, -0.0020642200000000 ] - [ -0.0020729500000000, 0.0032251300000000, -0.0014731900000000 ] - [ -0.0003034900000000, -0.0000635700000000, -0.0000942100000000 ] - [ 0.0015602500000000, 0.0000000000000000, 0.0000429900000000 ] - [ -0.0003034900000000, 0.0000635700000000, -0.0000942100000000 ] - [ -0.0023852200000000, 0.0029163300000000, -0.0016079800000000 ] - [ -0.0002172000000000, 0.0000000000000000, -0.0013725700000000 ] - [ -0.0023852200000000, -0.0029163300000000, -0.0016079800000000 ] - [ 0.0025222600000000, 0.0000040400000000, -0.0000729500000000 ] - [ 0.0024062300000000, 0.0000000000000000, -0.0000741400000000 ] - [ 0.0025222600000000, -0.0000040400000000, -0.0000729500000000 ] - [ 0.0005921300000000, -0.0004303800000000, -0.0023277600000000 ] - [ 0.0003882600000000, 0.0000000000000000, -0.0014954500000000 ] - [ 0.0005921300000000, 0.0004303800000000, -0.0023277600000000 ] - [ -0.0005285700000000, 0.0000131100000000, -0.0020563500000000 ] - [ -0.0005182200000000, 0.0000000000000000, -0.0020053400000000 ] - [ -0.0005285700000000, -0.0000131100000000, -0.0020563500000000 ] - [ 0.0025362700000000, 0.0000007100000000, 0.0005448700000000 ] - [ 0.0025259400000000, 0.0000000000000000, 0.0005440800000000 ] - [ 0.0025362700000000, -0.0000007100000000, 0.0005448700000000 ] - [ -0.0004497500000000, -0.0000114000000000, -0.0012547100000000 ] - [ -0.0004653100000000, 0.0000000000000000, -0.0012168500000000 ] - [ -0.0004497500000000, 0.0000114000000000, -0.0012547100000000 ] - [ 0.0023839600000000, 0.0000032200000000, 0.0004414800000000 ] - [ 0.0024828800000000, 0.0000000000000000, 0.0004351700000000 ] - [ 0.0023839600000000, -0.0000032200000000, 0.0004414800000000 ] - [ 0.0001147500000000, 0.0000120900000000, -0.0013776900000000 ] - [ 0.0001239000000000, 0.0000000000000000, -0.0014309900000000 ] - [ 0.0001147500000000, -0.0000120900000000, -0.0013776900000000 ] - [ 0.0032010600000000, 0.0000011000000000, -0.0003463400000000 ] - [ 0.0030758600000000, 0.0000000000000000, -0.0003454100000000 ] - [ 0.0032010600000000, -0.0000011000000000, -0.0003463400000000 ] - [ -0.0002648400000000, -0.0000146400000000, -0.0012553700000000 ] - [ -0.0002797000000000, 0.0000000000000000, -0.0013189000000000 ] - [ -0.0002648400000000, 0.0000146400000000, -0.0012553700000000 ] - [ 0.0053900700000000, 0.0001820600000000, -0.0003876700000000 ] - [ 0.0018783500000000, 0.0000000000000000, -0.0001835500000000 ] - [ 0.0053900700000000, -0.0001820600000000, -0.0003876700000000 ] - [ 0.0006981000000000, -0.0003933500000000, 0.0008220600000000 ] - [ 0.0004528500000000, 0.0000000000000000, -0.0001312600000000 ] - [ 0.0006981000000000, 0.0003933500000000, 0.0008220600000000 ] - [ 0.0020921300000000, -0.0000001500000000, -0.0001572200000000 ] - [ 0.0022172900000000, 0.0000000000000000, -0.0001592800000000 ] - [ 0.0020921300000000, 0.0000001500000000, -0.0001572200000000 ] - [ -0.0000809000000000, 0.0003700100000000, -0.0032373300000000 ] - [ -0.0001122100000000, 0.0000000000000000, -0.0023040800000000 ] - [ -0.0000809000000000, -0.0003700100000000, -0.0032373300000000 ] - [ 0.0023738400000000, 0.0000001800000000, 0.0001899100000000 ] - [ 0.0023835200000000, 0.0000000000000000, 0.0001898600000000 ] - [ 0.0023738400000000, -0.0000001800000000, 0.0001899100000000 ] - [ 0.0000380500000000, -0.0000355500000000, 0.0003489500000000 ] - [ 0.0019552900000000, 0.0000000000000000, 0.0002619700000000 ] - [ 0.0000380500000000, 0.0000355500000000, 0.0003489500000000 ] - [ 0.0054986200000000, 0.0000000000000000, -0.0033742800000000 ] - [ 0.0055023200000000, 0.0001044500000000, -0.0033673300000000 ] - [ 0.0055023200000000, -0.0001044500000000, -0.0033673300000000 ] - [ 0.0046476200000000, 0.0000000000000000, -0.0034033200000000 ] - [ 0.0046476900000000, 0.0000061400000000, -0.0034041600000000 ] - [ 0.0046476900000000, -0.0000061400000000, -0.0034041600000000 ] - [ 0.0047596600000000, 0.0000000000000000, -0.0049507400000000 ] - [ 0.0051490600000000, -0.0009433600000000, -0.0029915900000000 ] - [ 0.0051490600000000, 0.0009433600000000, -0.0029915900000000 ] - [ 0.0068990900000000, 0.0000000000000000, -0.0008333500000000 ] - [ 0.0068997700000000, 0.0000939400000000, -0.0007843800000000 ] - [ 0.0068997700000000, -0.0000939400000000, -0.0007843800000000 ] - [ 0.0047243300000000, 0.0000000000000000, -0.0044196700000000 ] - [ 0.0047318400000000, -0.0001005300000000, -0.0044334800000000 ] - [ 0.0047318400000000, 0.0001005300000000, -0.0044334800000000 ] - [ 0.0052066000000000, 0.0000000000000000, -0.0039902600000000 ] - [ 0.0052063500000000, -0.0000035800000000, -0.0039903800000000 ] - [ 0.0052063500000000, 0.0000035800000000, -0.0039903800000000 ] - [ 0.0068754600000000, 0.0000000000000000, 0.0045270500000000 ] - [ 0.0068742000000000, -0.0001017200000000, 0.0044855200000000 ] - [ 0.0068742000000000, 0.0001017200000000, 0.0044855200000000 ] - [ 0.0090427100000000, 0.0000000000000000, 0.0001206700000000 ] - [ 0.0016150900000000, 0.0000557800000000, 0.0001060500000000 ] - [ 0.0016150900000000, -0.0000557800000000, 0.0001060500000000 ] - [ -0.0017772900000000, 0.0000000000000000, -0.0001765500000000 ] - [ -0.0006079800000000, -0.0000844600000000, -0.0000059100000000 ] - [ -0.0006079800000000, 0.0000844600000000, -0.0000059100000000 ] - [ -0.0004650500000000, 0.0000000000000000, -0.0001821700000000 ] - [ -0.0004574900000000, -0.0000034600000000, -0.0001807500000000 ] - [ -0.0004574900000000, 0.0000034600000000, -0.0001807500000000 ] - [ 0.0010797700000000, 0.0000000000000000, 0.0000882300000000 ] - [ 0.0002551400000000, 0.0000382300000000, 0.0000920900000000 ] - [ 0.0002551400000000, -0.0000382300000000, 0.0000920900000000 ] - [ -0.0005120300000000, 0.0000000000000000, 0.0000362600000000 ] - [ -0.0005205300000000, -0.0000001800000000, 0.0000387000000000 ] - [ -0.0005205300000000, 0.0000001800000000, 0.0000387000000000 ] - [ 0.0000159500000000, 0.0000000000000000, 0.0000256900000000 ] - [ 0.0000304800000000, -0.0000010300000000, 0.0000249000000000 ] - [ 0.0000304800000000, 0.0000010300000000, 0.0000249000000000 ] - [ -0.0005237500000000, 0.0000000000000000, -0.0001711700000000 ] - [ -0.0005387000000000, 0.0000018400000000, -0.0001698600000000 ] - [ -0.0005387000000000, -0.0000018400000000, -0.0001698600000000 ] - [ -0.0093626100000000, 0.0000759800000000, -0.0041003000000000 ] - [ -0.0094094300000000, 0.0000000000000000, -0.0035819400000000 ] - [ -0.0093626100000000, -0.0000759800000000, -0.0041003000000000 ] - [ -0.0098375700000000, -0.0058519800000000, 0.0109379100000000 ] - [ -0.0111854000000000, 0.0000000000000000, 0.0053179100000000 ] - [ -0.0098375700000000, 0.0058519800000000, 0.0109379100000000 ] - [ -0.0030631200000000, 0.0066832100000000, 0.0018489100000000 ] - [ -0.0035218900000000, 0.0000000000000000, 0.0083950500000000 ] - [ -0.0030631200000000, -0.0066832100000000, 0.0018489100000000 ] - [ -0.0041455300000000, -0.0066684000000000, -0.0008919800000000 ] - [ -0.0060157500000000, 0.0000000000000000, 0.0048514700000000 ] - [ -0.0041455300000000, 0.0066684000000000, -0.0008919800000000 ] - [ -0.0063894400000000, 0.0000249700000000, 0.0063527400000000 ] - [ -0.0063985000000000, 0.0000000000000000, 0.0059423500000000 ] - [ -0.0063894400000000, -0.0000249700000000, 0.0063527400000000 ] - [ -0.0075270500000000, -0.0000378600000000, 0.0041548200000000 ] - [ -0.0075180200000000, 0.0000000000000000, 0.0045868900000000 ] - [ -0.0075270500000000, 0.0000378600000000, 0.0041548200000000 ] - [ -0.0053797600000000, 0.0066646500000000, 0.0097316900000000 ] - [ -0.0067966800000000, 0.0000000000000000, 0.0038020300000000 ] - [ -0.0053797600000000, -0.0066646500000000, 0.0097316900000000 ] - [ -0.0069523800000000, -0.0000042300000000, 0.0044641900000000 ] - [ -0.0069552700000000, 0.0000000000000000, 0.0044655900000000 ] - [ -0.0069523800000000, 0.0000042300000000, 0.0044641900000000 ] - [ -0.0087174200000000, -0.0000639900000000, 0.0031315300000000 ] - [ -0.0087552200000000, 0.0000000000000000, 0.0026877000000000 ] - [ -0.0087174200000000, 0.0000639900000000, 0.0031315300000000 ] - [ -0.0069991800000000, 0.0000022100000000, 0.0051292900000000 ] - [ -0.0069972800000000, 0.0000000000000000, 0.0051363700000000 ] - [ -0.0069991800000000, -0.0000022100000000, 0.0051292900000000 ]- atom: 1 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0131404200000000, 0.0000000000000000, -0.0001099600000000 ] - [ -0.0000318300000000, 0.0000389300000000, -0.0000963800000000 ] - [ -0.0000318300000000, -0.0000389300000000, -0.0000963800000000 ] - [ 0.0003448700000000, 0.0000000000000000, -0.0000066200000000 ] - [ 0.0000267200000000, 0.0000184500000000, 0.0000427100000000 ] - [ 0.0000267200000000, -0.0000184500000000, 0.0000427100000000 ] - [ -0.0006272800000000, 0.0000000000000000, 0.0002559800000000 ] - [ -0.0002965200000000, -0.0000016000000000, 0.0003168400000000 ] - [ -0.0002965200000000, 0.0000016000000000, 0.0003168400000000 ] - [ 0.0066439400000000, 0.0000000000000000, -0.0070387800000000 ] - [ 0.0046454400000000, -0.0009554700000000, -0.0040461200000000 ] - [ 0.0046454400000000, 0.0009554700000000, -0.0040461200000000 ] - [ 0.0114615600000000, 0.0000000000000000, -0.0003868800000000 ] - [ 0.0097855300000000, -0.0009292400000000, -0.0031379500000000 ] - [ 0.0097855300000000, 0.0009292400000000, -0.0031379500000000 ] - [ 0.0023804400000000, 0.0000000000000000, -0.0101655700000000 ] - [ 0.0012303600000000, 0.0011538100000000, -0.0075831300000000 ] - [ 0.0012303600000000, -0.0011538100000000, -0.0075831300000000 ] - [ -0.0005694600000000, -0.0003883000000000, -0.0023621700000000 ] - [ -0.0006267000000000, 0.0000000000000000, -0.0015425200000000 ] - [ -0.0005694600000000, 0.0003883000000000, -0.0023621700000000 ] - [ -0.0020358100000000, -0.0002729800000000, -0.0000788600000000 ] - [ 0.0015209300000000, 0.0000000000000000, 0.0002514600000000 ] - [ -0.0020358100000000, 0.0002729800000000, -0.0000788600000000 ] - [ 0.0014596600000000, 0.0032153000000000, -0.0024790700000000 ] - [ -0.0001998600000000, 0.0000000000000000, -0.0018911000000000 ] - [ 0.0014596600000000, -0.0032153000000000, -0.0024790700000000 ] - [ 0.0041974800000000, 0.0000622300000000, 0.0002003200000000 ] - [ 0.0023349600000000, 0.0000000000000000, 0.0000670600000000 ] - [ 0.0041974800000000, -0.0000622300000000, 0.0002003200000000 ] - [ 0.0022801000000000, -0.0029408000000000, -0.0010473800000000 ] - [ 0.0001168800000000, 0.0000000000000000, -0.0012801100000000 ] - [ 0.0022801000000000, 0.0029408000000000, -0.0010473800000000 ] - [ 0.0020352200000000, -0.0000038800000000, -0.0001107000000000 ] - [ 0.0021525600000000, 0.0000000000000000, -0.0001097500000000 ] - [ 0.0020352200000000, 0.0000038800000000, -0.0001107000000000 ] - [ 0.0000971600000000, 0.0004296200000000, -0.0001404400000000 ] - [ 0.0002991700000000, 0.0000000000000000, -0.0009728200000000 ] - [ 0.0000971600000000, -0.0004296200000000, -0.0001404400000000 ] - [ -0.0004821100000000, -0.0000128300000000, -0.0018354400000000 ] - [ -0.0004924100000000, 0.0000000000000000, -0.0018866000000000 ] - [ -0.0004821100000000, 0.0000128300000000, -0.0018354400000000 ] - [ 0.0024267900000000, -0.0000005700000000, 0.0005339000000000 ] - [ 0.0024377400000000, 0.0000000000000000, 0.0005348000000000 ] - [ 0.0024267900000000, 0.0000005700000000, 0.0005339000000000 ] - [ -0.0005062200000000, 0.0000113500000000, -0.0010580000000000 ] - [ -0.0004902100000000, 0.0000000000000000, -0.0010973800000000 ] - [ -0.0005062200000000, -0.0000113500000000, -0.0010580000000000 ] - [ 0.0028274300000000, -0.0000030700000000, 0.0004426500000000 ] - [ 0.0027262800000000, 0.0000000000000000, 0.0004483200000000 ] - [ 0.0028274300000000, 0.0000030700000000, 0.0004426500000000 ] - [ 0.0001489100000000, -0.0000120500000000, -0.0016421300000000 ] - [ 0.0001394700000000, 0.0000000000000000, -0.0015878300000000 ] - [ 0.0001489100000000, 0.0000120500000000, -0.0016421300000000 ] - [ 0.0026702200000000, -0.0000009400000000, -0.0003547600000000 ] - [ 0.0027956200000000, 0.0000000000000000, -0.0003552400000000 ] - [ 0.0026702200000000, 0.0000009400000000, -0.0003547600000000 ] - [ -0.0002986900000000, 0.0000147900000000, -0.0015755400000000 ] - [ -0.0002838500000000, 0.0000000000000000, -0.0015109600000000 ] - [ -0.0002986900000000, -0.0000147900000000, -0.0015755400000000 ] - [ -0.0025673100000000, -0.0001734200000000, 0.0000098400000000 ] - [ 0.0009527000000000, 0.0000000000000000, -0.0001810000000000 ] - [ -0.0025673100000000, 0.0001734200000000, 0.0000098400000000 ] - [ 0.0001420300000000, 0.0003920200000000, -0.0017290100000000 ] - [ 0.0003846700000000, 0.0000000000000000, -0.0007766700000000 ] - [ 0.0001420300000000, -0.0003920200000000, -0.0017290100000000 ] - [ 0.0026048300000000, 0.0000003500000000, -0.0001744600000000 ] - [ 0.0024794100000000, 0.0000000000000000, -0.0001721400000000 ] - [ 0.0026048300000000, -0.0000003500000000, -0.0001744600000000 ] - [ -0.0001727800000000, -0.0003722000000000, -0.0008856100000000 ] - [ -0.0001388700000000, 0.0000000000000000, -0.0018187800000000 ] - [ -0.0001727800000000, 0.0003722000000000, -0.0008856100000000 ] - [ 0.0024876900000000, -0.0000001600000000, 0.0001817800000000 ] - [ 0.0024768400000000, 0.0000000000000000, 0.0001820400000000 ] - [ 0.0024876900000000, 0.0000001600000000, 0.0001817800000000 ] - [ 0.0047897900000000, 0.0000342800000000, 0.0001774500000000 ] - [ 0.0028708100000000, 0.0000000000000000, 0.0002613900000000 ] - [ 0.0047897900000000, -0.0000342800000000, 0.0001774500000000 ] - [ 0.0055555300000000, 0.0000000000000000, -0.0035611300000000 ] - [ 0.0055514500000000, -0.0001046900000000, -0.0035679500000000 ] - [ 0.0055514500000000, 0.0001046900000000, -0.0035679500000000 ] - [ 0.0046515200000000, 0.0000000000000000, -0.0034104800000000 ] - [ 0.0046521300000000, -0.0000058500000000, -0.0034093300000000 ] - [ 0.0046521300000000, 0.0000058500000000, -0.0034093300000000 ] - [ 0.0052274300000000, 0.0000000000000000, -0.0001441400000000 ] - [ 0.0047473100000000, 0.0009416400000000, -0.0021702100000000 ] - [ 0.0047473100000000, -0.0009416400000000, -0.0021702100000000 ] - [ 0.0069463600000000, 0.0000000000000000, -0.0005110500000000 ] - [ 0.0069453500000000, -0.0000939800000000, -0.0005600900000000 ] - [ 0.0069453500000000, 0.0000939800000000, -0.0005600900000000 ] - [ 0.0047145700000000, 0.0000000000000000, -0.0042481500000000 ] - [ 0.0047073300000000, 0.0001008200000000, -0.0042350500000000 ] - [ 0.0047073300000000, -0.0001008200000000, -0.0042350500000000 ] - [ 0.0051976300000000, 0.0000000000000000, -0.0040084900000000 ] - [ 0.0051977500000000, 0.0000041800000000, -0.0040083600000000 ] - [ 0.0051977500000000, -0.0000041800000000, -0.0040083600000000 ] - [ 0.0068785700000000, 0.0000000000000000, 0.0042063900000000 ] - [ 0.0068794600000000, 0.0001024900000000, 0.0042480000000000 ] - [ 0.0068794600000000, -0.0001024900000000, 0.0042480000000000 ] - [ -0.0081660100000000, 0.0000000000000000, 0.0000977400000000 ] - [ -0.0007532700000000, -0.0000520600000000, 0.0001102200000000 ] - [ -0.0007532700000000, 0.0000520600000000, 0.0001102200000000 ] - [ 0.0011714300000000, 0.0000000000000000, 0.0003362600000000 ] - [ 0.0000026300000000, 0.0000834000000000, 0.0001821500000000 ] - [ 0.0000026300000000, -0.0000834000000000, 0.0001821500000000 ] - [ -0.0003250600000000, 0.0000000000000000, -0.0001562000000000 ] - [ -0.0003340100000000, 0.0000027700000000, -0.0001581900000000 ] - [ -0.0003340100000000, -0.0000027700000000, -0.0001581900000000 ] - [ -0.0011519700000000, 0.0000000000000000, 0.0000099800000000 ] - [ -0.0003272100000000, -0.0000387000000000, 0.0000058100000000 ] - [ -0.0003272100000000, 0.0000387000000000, 0.0000058100000000 ] - [ -0.0006509100000000, 0.0000000000000000, 0.0000432600000000 ] - [ -0.0006420600000000, 0.0000002700000000, 0.0000407200000000 ] - [ -0.0006420600000000, -0.0000002700000000, 0.0000407200000000 ] - [ 0.0001640600000000, 0.0000000000000000, 0.0000323900000000 ] - [ 0.0001504400000000, 0.0000011200000000, 0.0000330300000000 ] - [ 0.0001504400000000, -0.0000011200000000, 0.0000330300000000 ] - [ -0.0006914000000000, 0.0000000000000000, -0.0001536600000000 ] - [ -0.0006762500000000, -0.0000019600000000, -0.0001541600000000 ] - [ -0.0006762500000000, 0.0000019600000000, -0.0001541600000000 ] - [ -0.0095111800000000, -0.0000761900000000, -0.0025158000000000 ] - [ -0.0094643500000000, 0.0000000000000000, -0.0030351600000000 ] - [ -0.0095111800000000, 0.0000761900000000, -0.0025158000000000 ] - [ -0.0124909900000000, 0.0058861800000000, -0.0006027500000000 ] - [ -0.0111765600000000, 0.0000000000000000, 0.0050514600000000 ] - [ -0.0124909900000000, -0.0058861800000000, -0.0006027500000000 ] - [ -0.0038943800000000, -0.0066559300000000, 0.0150961400000000 ] - [ -0.0034047800000000, 0.0000000000000000, 0.0085887500000000 ] - [ -0.0038943800000000, 0.0066559300000000, 0.0150961400000000 ] - [ -0.0077688300000000, 0.0067099200000000, 0.0107722600000000 ] - [ -0.0059173600000000, 0.0000000000000000, 0.0049816600000000 ] - [ -0.0077688300000000, -0.0067099200000000, 0.0107722600000000 ] - [ -0.0064017900000000, -0.0000269200000000, 0.0051791100000000 ] - [ -0.0063900700000000, 0.0000000000000000, 0.0055842900000000 ] - [ -0.0064017900000000, 0.0000269200000000, 0.0051791100000000 ] - [ -0.0075162800000000, 0.0000400100000000, 0.0053919900000000 ] - [ -0.0075267700000000, 0.0000000000000000, 0.0049641000000000 ] - [ -0.0075162800000000, -0.0000400100000000, 0.0053919900000000 ] - [ -0.0081472100000000, -0.0066294800000000, -0.0024116000000000 ] - [ -0.0067185300000000, 0.0000000000000000, 0.0034749200000000 ] - [ -0.0081472100000000, 0.0066294800000000, -0.0024116000000000 ] - [ -0.0069580300000000, 0.0000030000000000, 0.0044983700000000 ] - [ -0.0069554600000000, 0.0000000000000000, 0.0044943900000000 ] - [ -0.0069580300000000, -0.0000030000000000, 0.0044983700000000 ] - [ -0.0088062800000000, 0.0000642900000000, 0.0018759200000000 ] - [ -0.0087682100000000, 0.0000000000000000, 0.0023200200000000 ] - [ -0.0088062800000000, -0.0000642900000000, 0.0018759200000000 ] - [ -0.0070002300000000, -0.0000028100000000, 0.0051729100000000 ] - [ -0.0070007500000000, 0.0000000000000000, 0.0051695800000000 ] - [ -0.0070002300000000, 0.0000028100000000, 0.0051729100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005397600000000, -0.0147577100000000, -0.0000967700000000 ] - [ -0.0004930900000000, 0.0019677600000000, -0.0000094600000000 ] - [ -0.0005767900000000, 0.0019471800000000, -0.0001179800000000 ] - [ -0.0001320800000000, -0.0006804300000000, 0.0000592600000000 ] - [ -0.0001227500000000, 0.0003438900000000, -0.0002451400000000 ] - [ -0.0001418000000000, 0.0003439300000000, 0.0003603100000000 ] - [ -0.0001555800000000, -0.0004427600000000, 0.0003113700000000 ] - [ -0.0001693600000000, 0.0002261100000000, 0.0001483200000000 ] - [ -0.0001414800000000, 0.0002261500000000, 0.0004724600000000 ] - [ 0.0044817400000000, 0.0053411900000000, -0.0036939000000000 ] - [ 0.0048101100000000, -0.0020583400000000, -0.0040395300000000 ] - [ 0.0041648100000000, -0.0020622200000000, -0.0033617200000000 ] - [ 0.0096320500000000, 0.0050908800000000, -0.0034497600000000 ] - [ 0.0098941600000000, -0.0021137000000000, -0.0031200100000000 ] - [ 0.0093783100000000, -0.0021162700000000, -0.0037666600000000 ] - [ 0.0013836600000000, 0.0055244100000000, -0.0072199600000000 ] - [ 0.0010875000000000, -0.0021152800000000, -0.0068308200000000 ] - [ 0.0016702600000000, -0.0021189800000000, -0.0075966600000000 ] - [ -0.0002544700000000, 0.0002883400000000, -0.0030359800000000 ] - [ -0.0006469600000000, -0.0004717000000000, -0.0013022900000000 ] - [ -0.0010383600000000, 0.0002863900000000, 0.0004310900000000 ] - [ 0.0033594800000000, -0.0001555800000000, -0.0026502300000000 ] - [ 0.0019683800000000, -0.0007032300000000, 0.0002560300000000 ] - [ 0.0005775100000000, -0.0002541100000000, 0.0032253100000000 ] - [ -0.0033767100000000, -0.0011474700000000, -0.0016259000000000 ] - [ -0.0003188800000000, -0.0008139000000000, -0.0019777100000000 ] - [ 0.0027315600000000, -0.0011716400000000, -0.0023285800000000 ] - [ 0.0018190000000000, 0.0004984800000000, -0.0008840800000000 ] - [ 0.0019476300000000, -0.0007744900000000, 0.0000547700000000 ] - [ 0.0020749600000000, 0.0004935300000000, 0.0009905500000000 ] - [ 0.0027146200000000, -0.0009423300000000, -0.0010373600000000 ] - [ -0.0000497700000000, -0.0008666100000000, -0.0013260700000000 ] - [ -0.0027972300000000, -0.0009509700000000, -0.0016152000000000 ] - [ 0.0022032100000000, 0.0001052700000000, -0.0003328900000000 ] - [ 0.0022792500000000, -0.0002166800000000, -0.0000918900000000 ] - [ 0.0023542400000000, 0.0001051600000000, 0.0001491400000000 ] - [ -0.0000138800000000, 0.0002766100000000, -0.0026857800000000 ] - [ 0.0003437400000000, -0.0004509600000000, -0.0012343400000000 ] - [ 0.0007000600000000, 0.0002739200000000, 0.0002196300000000 ] - [ -0.0004799100000000, 0.0000587700000000, -0.0016659900000000 ] - [ -0.0005053800000000, -0.0001154100000000, -0.0019455300000000 ] - [ -0.0005308100000000, 0.0000584200000000, -0.0022246500000000 ] - [ 0.0024754400000000, 0.0000317500000000, 0.0005482200000000 ] - [ 0.0024821100000000, -0.0000634500000000, 0.0005395600000000 ] - [ 0.0024881100000000, 0.0000317200000000, 0.0005308000000000 ] - [ -0.0004720500000000, 0.0000502800000000, -0.0013878900000000 ] - [ -0.0004777100000000, -0.0000984800000000, -0.0011569900000000 ] - [ -0.0004839400000000, 0.0000502000000000, -0.0009251500000000 ] - [ 0.0026121700000000, 0.0000855700000000, 0.0002057900000000 ] - [ 0.0026051000000000, -0.0001711700000000, 0.0004420500000000 ] - [ 0.0025998000000000, 0.0000850500000000, 0.0006782900000000 ] - [ 0.0001380500000000, 0.0000530600000000, -0.0017585900000000 ] - [ 0.0001318400000000, -0.0001029700000000, -0.0015095800000000 ] - [ 0.0001257300000000, 0.0000528100000000, -0.0012614400000000 ] - [ 0.0029211900000000, 0.0000649600000000, -0.0000306600000000 ] - [ 0.0029351000000000, -0.0001274200000000, -0.0003505300000000 ] - [ 0.0029482400000000, 0.0000651300000000, -0.0006702200000000 ] - [ -0.0002877500000000, 0.0000559800000000, -0.0010776300000000 ] - [ -0.0002816600000000, -0.0001098000000000, -0.0014149600000000 ] - [ -0.0002756700000000, 0.0000557000000000, -0.0017528300000000 ] - [ 0.0022717200000000, -0.0003798800000000, 0.0029796600000000 ] - [ 0.0014155100000000, -0.0006681800000000, -0.0001815800000000 ] - [ 0.0005573800000000, -0.0004623600000000, -0.0033939700000000 ] - [ 0.0000892700000000, 0.0002243500000000, 0.0014793600000000 ] - [ 0.0004187200000000, -0.0003635300000000, -0.0004538000000000 ] - [ 0.0007470400000000, 0.0002229000000000, -0.0023861900000000 ] - [ 0.0023602800000000, 0.0000656300000000, 0.0001335800000000 ] - [ 0.0023496500000000, -0.0001308400000000, -0.0001656700000000 ] - [ 0.0023394500000000, 0.0000652200000000, -0.0004647800000000 ] - [ 0.0002261800000000, 0.0002468600000000, 0.0000847700000000 ] - [ -0.0001254500000000, -0.0003946700000000, -0.0020618200000000 ] - [ -0.0004760200000000, 0.0002454700000000, -0.0042062700000000 ] - [ 0.0024261700000000, 0.0000300500000000, 0.0001992600000000 ] - [ 0.0024303500000000, -0.0000594500000000, 0.0001861400000000 ] - [ 0.0024353700000000, 0.0000298800000000, 0.0001727300000000 ] - [ 0.0023002700000000, 0.0004468400000000, 0.0011539100000000 ] - [ 0.0024135200000000, -0.0007251700000000, 0.0002618900000000 ] - [ 0.0025273300000000, 0.0004422200000000, -0.0006262800000000 ] - [ 0.0055271600000000, 0.0006620600000000, -0.0034672200000000 ] - [ 0.0055303400000000, -0.0003268200000000, -0.0035870000000000 ] - [ 0.0055236000000000, -0.0003270900000000, -0.0033478400000000 ] - [ 0.0046498700000000, 0.0002145400000000, -0.0034066400000000 ] - [ 0.0046474400000000, -0.0001067500000000, -0.0034028900000000 ] - [ 0.0046524700000000, -0.0001069000000000, -0.0034102900000000 ] - [ 0.0049502900000000, 0.0050791800000000, -0.0025764300000000 ] - [ 0.0046279800000000, -0.0016978500000000, -0.0029661500000000 ] - [ 0.0052649300000000, -0.0017007900000000, -0.0021955300000000 ] - [ 0.0069227600000000, 0.0007388300000000, -0.0006723100000000 ] - [ 0.0069248200000000, -0.0003665800000000, -0.0005533900000000 ] - [ 0.0069205600000000, -0.0003668400000000, -0.0007909700000000 ] - [ 0.0047195300000000, 0.0006086600000000, -0.0043333700000000 ] - [ 0.0046958500000000, -0.0002998500000000, -0.0044448900000000 ] - [ 0.0047435000000000, -0.0003004600000000, -0.0042232200000000 ] - [ 0.0052020800000000, 0.0002189800000000, -0.0039992100000000 ] - [ 0.0051987200000000, -0.0001087900000000, -0.0039931200000000 ] - [ 0.0052052400000000, -0.0001094000000000, -0.0040053700000000 ] - [ 0.0068771200000000, 0.0007295900000000, 0.0043664600000000 ] - [ 0.0068628700000000, -0.0003622200000000, 0.0044605700000000 ] - [ 0.0068913700000000, -0.0003631200000000, 0.0042726300000000 ] - [ 0.0004297000000000, -0.0031199500000000, 0.0001082700000000 ] - [ 0.0004286700000000, 0.0013842000000000, 0.0002126400000000 ] - [ 0.0004333800000000, 0.0013817800000000, 0.0000045000000000 ] - [ -0.0003026300000000, -0.0018529100000000, 0.0000799100000000 ] - [ -0.0002318600000000, 0.0007865300000000, 0.0007665800000000 ] - [ -0.0003727200000000, 0.0007861700000000, -0.0005878800000000 ] - [ -0.0003949300000000, -0.0002041600000000, -0.0001691300000000 ] - [ -0.0003937800000000, 0.0001012000000000, -0.0001033400000000 ] - [ -0.0003972600000000, 0.0001019600000000, -0.0002349300000000 ] - [ -0.0000357000000000, -0.0008150200000000, 0.0000466000000000 ] - [ -0.0000744500000000, 0.0004144600000000, 0.0003811600000000 ] - [ 0.0000026300000000, 0.0004153300000000, -0.0002835500000000 ] - [ -0.0005818000000000, -0.0001929500000000, 0.0000397700000000 ] - [ -0.0005836700000000, 0.0000969400000000, 0.0001020400000000 ] - [ -0.0005794900000000, 0.0000968500000000, -0.0000222900000000 ] - [ 0.0000900400000000, -0.0002220300000000, 0.0000291800000000 ] - [ 0.0000891200000000, 0.0001112400000000, -0.0000403400000000 ] - [ 0.0000921500000000, 0.0001112400000000, 0.0000979200000000 ] - [ -0.0006077900000000, -0.0002128400000000, -0.0001619300000000 ] - [ -0.0006056400000000, 0.0001071200000000, -0.0002225900000000 ] - [ -0.0006095300000000, 0.0001069700000000, -0.0001007900000000 ] - [ -0.0093087100000000, -0.0003168600000000, -0.0046171700000000 ] - [ -0.0094369100000000, 0.0006297700000000, -0.0033086700000000 ] - [ -0.0095651400000000, -0.0003162200000000, -0.0019984300000000 ] - [ -0.0177152600000000, -0.0003768200000000, -0.0013376800000000 ] - [ -0.0111817500000000, 0.0033700700000000, 0.0051843900000000 ] - [ -0.0046715900000000, -0.0003566800000000, 0.0116763200000000 ] - [ 0.0026472100000000, 0.0000074800000000, 0.0008494900000000 ] - [ -0.0034624500000000, 0.0034571000000000, 0.0084917700000000 ] - [ -0.0095426500000000, 0.0000300900000000, 0.0160904600000000 ] - [ -0.0132836600000000, 0.0005716200000000, 0.0109474800000000 ] - [ -0.0059674600000000, 0.0029062600000000, 0.0049173000000000 ] - [ 0.0013052800000000, 0.0005858800000000, -0.0010720700000000 ] - [ -0.0063455400000000, -0.0002622200000000, 0.0066797300000000 ] - [ -0.0063941200000000, 0.0005189400000000, 0.0057633500000000 ] - [ -0.0064452800000000, -0.0002601300000000, 0.0048503800000000 ] - [ -0.0074897500000000, -0.0002738400000000, 0.0058844400000000 ] - [ -0.0075227200000000, 0.0005458600000000, 0.0047756600000000 ] - [ -0.0075536400000000, -0.0002753500000000, 0.0036634400000000 ] - [ -0.0008827200000000, 0.0006510800000000, 0.0104245500000000 ] - [ -0.0067571100000000, 0.0026070900000000, 0.0036391700000000 ] - [ -0.0125917700000000, 0.0006661100000000, -0.0031007400000000 ] - [ -0.0069501800000000, -0.0000889600000000, 0.0044756900000000 ] - [ -0.0069549900000000, 0.0001768100000000, 0.0044797600000000 ] - [ -0.0069598200000000, -0.0000873800000000, 0.0044863300000000 ] - [ -0.0088551700000000, -0.0002922300000000, 0.0012012400000000 ] - [ -0.0087616400000000, 0.0005830200000000, 0.0025037500000000 ] - [ -0.0086681800000000, -0.0002922300000000, 0.0038051100000000 ] - [ -0.0070055200000000, -0.0000891500000000, 0.0051296500000000 ] - [ -0.0069994300000000, 0.0001792500000000, 0.0051529100000000 ] - [ -0.0069942100000000, -0.0000887300000000, 0.0051721900000000 ]- atom: 1 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005860300000000, 0.0000000000000000, -0.0183087700000000 ] - [ -0.0005032800000000, -0.0000564200000000, -0.0011749000000000 ] - [ -0.0005032800000000, 0.0000564200000000, -0.0011749000000000 ] - [ -0.0000886800000000, 0.0000000000000000, 0.0014045700000000 ] - [ -0.0001369700000000, -0.0002835300000000, 0.0003651500000000 ] - [ -0.0001369700000000, 0.0002835300000000, 0.0003651500000000 ] - [ -0.0001563100000000, 0.0000000000000000, 0.0008966900000000 ] - [ -0.0001446700000000, -0.0001742500000000, 0.0005037600000000 ] - [ -0.0001446700000000, 0.0001742500000000, 0.0005037600000000 ] - [ 0.0078107900000000, 0.0000000000000000, -0.0043218700000000 ] - [ 0.0050032600000000, -0.0015797900000000, -0.0032343500000000 ] - [ 0.0050032600000000, 0.0015797900000000, -0.0032343500000000 ] - [ 0.0067019100000000, 0.0000000000000000, -0.0044720200000000 ] - [ 0.0091423300000000, 0.0017957700000000, -0.0028711000000000 ] - [ 0.0091423300000000, -0.0017957700000000, -0.0028711000000000 ] - [ 0.0045527200000000, 0.0000000000000000, -0.0082439600000000 ] - [ 0.0018412600000000, 0.0018073500000000, -0.0066617500000000 ] - [ 0.0018412600000000, -0.0018073500000000, -0.0066617500000000 ] - [ -0.0003610700000000, -0.0004480700000000, -0.0025341800000000 ] - [ -0.0006308100000000, 0.0000000000000000, -0.0014117800000000 ] - [ -0.0003610700000000, 0.0004480700000000, -0.0025341800000000 ] - [ 0.0031818500000000, -0.0024527300000000, 0.0003167500000000 ] - [ 0.0018802900000000, 0.0000000000000000, 0.0005833300000000 ] - [ 0.0031818500000000, 0.0024527300000000, 0.0003167500000000 ] - [ -0.0000241700000000, 0.0002530500000000, 0.0039363300000000 ] - [ -0.0002832600000000, 0.0000000000000000, 0.0002352800000000 ] - [ -0.0000241700000000, -0.0002530500000000, 0.0039363300000000 ] - [ 0.0018572300000000, -0.0009537100000000, 0.0007261200000000 ] - [ 0.0020105000000000, 0.0000000000000000, 0.0004615600000000 ] - [ 0.0018572300000000, 0.0009537100000000, 0.0007261200000000 ] - [ -0.0001294600000000, 0.0001665300000000, 0.0043512600000000 ] - [ -0.0000017200000000, 0.0000000000000000, 0.0008711000000000 ] - [ -0.0001294600000000, -0.0001665300000000, 0.0043512600000000 ] - [ 0.0022417200000000, -0.0001503100000000, -0.0006119400000000 ] - [ 0.0022740300000000, 0.0000000000000000, -0.0003773800000000 ] - [ 0.0022417200000000, 0.0001503100000000, -0.0006119400000000 ] - [ -0.0000413100000000, -0.0005117100000000, -0.0022912600000000 ] - [ 0.0002553800000000, 0.0000000000000000, -0.0012679900000000 ] - [ -0.0000413100000000, 0.0005117100000000, -0.0022912600000000 ] - [ -0.0005204200000000, 0.0000391600000000, -0.0031724400000000 ] - [ -0.0005065400000000, 0.0000000000000000, -0.0028792500000000 ] - [ -0.0005204200000000, -0.0000391600000000, -0.0031724400000000 ] - [ 0.0024715600000000, 0.0000024800000000, 0.0001203000000000 ] - [ 0.0024764400000000, 0.0000000000000000, 0.0001899700000000 ] - [ 0.0024715600000000, -0.0000024800000000, 0.0001203000000000 ] - [ -0.0005019000000000, -0.0000435200000000, -0.0023702100000000 ] - [ -0.0004975500000000, 0.0000000000000000, -0.0020749500000000 ] - [ -0.0005019000000000, 0.0000435200000000, -0.0023702100000000 ] - [ 0.0026015500000000, -0.0001121900000000, -0.0000101800000000 ] - [ 0.0026046300000000, 0.0000000000000000, 0.0002034600000000 ] - [ 0.0026015500000000, 0.0001121900000000, -0.0000101800000000 ] - [ 0.0001258200000000, -0.0000432900000000, -0.0027423400000000 ] - [ 0.0001246300000000, 0.0000000000000000, -0.0024460800000000 ] - [ 0.0001258200000000, 0.0000432900000000, -0.0027423400000000 ] - [ 0.0029164500000000, 0.0000602000000000, -0.0008562000000000 ] - [ 0.0029268500000000, 0.0000000000000000, -0.0005958800000000 ] - [ 0.0029164500000000, -0.0000602000000000, -0.0008562000000000 ] - [ -0.0002696600000000, 0.0000404700000000, -0.0026929800000000 ] - [ -0.0002757300000000, 0.0000000000000000, -0.0023425900000000 ] - [ -0.0002696600000000, -0.0000404700000000, -0.0026929800000000 ] - [ 0.0006388400000000, 0.0026401100000000, -0.0006291700000000 ] - [ 0.0014499100000000, 0.0000000000000000, 0.0001686100000000 ] - [ 0.0006388400000000, -0.0026401100000000, -0.0006291700000000 ] - [ 0.0008161100000000, 0.0004124600000000, -0.0020384200000000 ] - [ 0.0005004000000000, 0.0000000000000000, -0.0007101500000000 ] - [ 0.0008161100000000, -0.0004124600000000, -0.0020384200000000 ] - [ 0.0023497600000000, 0.0000704300000000, -0.0006205300000000 ] - [ 0.0023480400000000, 0.0000000000000000, -0.0003730000000000 ] - [ 0.0023497600000000, -0.0000704300000000, -0.0006205300000000 ] - [ -0.0004237100000000, 0.0003760600000000, -0.0035541200000000 ] - [ -0.0001441800000000, 0.0000000000000000, -0.0022564000000000 ] - [ -0.0004237100000000, -0.0003760600000000, -0.0035541200000000 ] - [ 0.0024020200000000, -0.0000023200000000, -0.0002357500000000 ] - [ 0.0024052100000000, 0.0000000000000000, -0.0001600000000000 ] - [ 0.0024020200000000, 0.0000023200000000, -0.0002357500000000 ] - [ 0.0025840800000000, 0.0010078700000000, 0.0008534200000000 ] - [ 0.0024160400000000, 0.0000000000000000, 0.0005808300000000 ] - [ 0.0025840800000000, -0.0010078700000000, 0.0008534200000000 ] - [ 0.0055657200000000, 0.0000000000000000, -0.0040383700000000 ] - [ 0.0055522300000000, -0.0003101300000000, -0.0038266600000000 ] - [ 0.0055522300000000, 0.0003101300000000, -0.0038266600000000 ] - [ 0.0046527900000000, 0.0000000000000000, -0.0038414000000000 ] - [ 0.0046529600000000, -0.0000040300000000, -0.0038026800000000 ] - [ 0.0046529600000000, 0.0000040300000000, -0.0038026800000000 ] - [ 0.0024091000000000, 0.0000000000000000, -0.0022172900000000 ] - [ 0.0045561200000000, -0.0012671300000000, -0.0020546600000000 ] - [ 0.0045561200000000, 0.0012671300000000, -0.0020546600000000 ] - [ 0.0068953200000000, 0.0000000000000000, -0.0011867400000000 ] - [ 0.0069006600000000, 0.0003031600000000, -0.0010459500000000 ] - [ 0.0069006600000000, -0.0003031600000000, -0.0010459500000000 ] - [ 0.0046477500000000, 0.0000000000000000, -0.0048975900000000 ] - [ 0.0047031000000000, -0.0003095200000000, -0.0046853000000000 ] - [ 0.0047031000000000, 0.0003095200000000, -0.0046853000000000 ] - [ 0.0051981100000000, 0.0000000000000000, -0.0044259800000000 ] - [ 0.0051981000000000, -0.0000016800000000, -0.0043863900000000 ] - [ 0.0051981000000000, 0.0000016800000000, -0.0043863900000000 ] - [ 0.0069102800000000, 0.0000000000000000, 0.0038901900000000 ] - [ 0.0068926200000000, 0.0003308000000000, 0.0040137500000000 ] - [ 0.0068926200000000, -0.0003308000000000, 0.0040137500000000 ] - [ 0.0002860300000000, 0.0000000000000000, -0.0033282800000000 ] - [ 0.0003427800000000, -0.0000597900000000, -0.0013183500000000 ] - [ 0.0003427800000000, 0.0000597900000000, -0.0013183500000000 ] - [ -0.0003052500000000, 0.0000000000000000, 0.0056235900000000 ] - [ -0.0002370400000000, 0.0006197400000000, 0.0005924000000000 ] - [ -0.0002370400000000, -0.0006197400000000, 0.0005924000000000 ] - [ -0.0003945500000000, 0.0000000000000000, 0.0004305600000000 ] - [ -0.0003946900000000, 0.0000644700000000, 0.0003241000000000 ] - [ -0.0003946900000000, -0.0000644700000000, 0.0003241000000000 ] - [ -0.0000598600000000, 0.0000000000000000, 0.0010320800000000 ] - [ -0.0000757300000000, 0.0003179800000000, 0.0002458000000000 ] - [ -0.0000757300000000, -0.0003179800000000, 0.0002458000000000 ] - [ -0.0005769200000000, 0.0000000000000000, 0.0006331400000000 ] - [ -0.0005775900000000, 0.0000587200000000, 0.0005275800000000 ] - [ -0.0005775900000000, -0.0000587200000000, 0.0005275800000000 ] - [ 0.0000945700000000, 0.0000000000000000, 0.0006409300000000 ] - [ 0.0000909600000000, -0.0000642900000000, 0.0005483300000000 ] - [ 0.0000909600000000, 0.0000642900000000, 0.0005483300000000 ] - [ -0.0006112100000000, 0.0000000000000000, 0.0003935700000000 ] - [ -0.0006073000000000, -0.0000602500000000, 0.0003121400000000 ] - [ -0.0006073000000000, 0.0000602500000000, 0.0003121400000000 ] - [ -0.0096470400000000, -0.0003170700000000, -0.0010459100000000 ] - [ -0.0095078800000000, 0.0000000000000000, -0.0023152300000000 ] - [ -0.0096470400000000, 0.0003170700000000, -0.0010459100000000 ] - [ -0.0044372200000000, -0.0064382300000000, 0.0050373600000000 ] - [ -0.0110814300000000, 0.0000000000000000, 0.0036638600000000 ] - [ -0.0044372200000000, 0.0064382300000000, 0.0050373600000000 ] - [ -0.0101956000000000, -0.0080516800000000, 0.0086510200000000 ] - [ -0.0036828300000000, 0.0000000000000000, 0.0069701200000000 ] - [ -0.0101956000000000, 0.0080516800000000, 0.0086510200000000 ] - [ -0.0126737400000000, 0.0060707100000000, 0.0037395100000000 ] - [ -0.0061274800000000, 0.0000000000000000, 0.0034254700000000 ] - [ -0.0126737400000000, -0.0060707100000000, 0.0037395100000000 ] - [ -0.0062876100000000, 0.0003242800000000, 0.0074144100000000 ] - [ -0.0063516800000000, 0.0000000000000000, 0.0064838200000000 ] - [ -0.0062876100000000, -0.0003242800000000, 0.0074144100000000 ] - [ -0.0075452600000000, 0.0003232800000000, 0.0065237000000000 ] - [ -0.0075413200000000, 0.0000000000000000, 0.0055467000000000 ] - [ -0.0075452600000000, -0.0003232800000000, 0.0065237000000000 ] - [ -0.0011972000000000, 0.0067609800000000, 0.0024925500000000 ] - [ -0.0065885700000000, 0.0000000000000000, 0.0020793300000000 ] - [ -0.0011972000000000, -0.0067609800000000, 0.0024925500000000 ] - [ -0.0069566300000000, 0.0000023900000000, 0.0060197900000000 ] - [ -0.0069546900000000, 0.0000000000000000, 0.0057260400000000 ] - [ -0.0069566300000000, -0.0000023900000000, 0.0060197900000000 ] - [ -0.0086310400000000, -0.0002677900000000, 0.0044908200000000 ] - [ -0.0087206800000000, 0.0000000000000000, 0.0033886500000000 ] - [ -0.0086310400000000, 0.0002677900000000, 0.0044908200000000 ] - [ -0.0069305400000000, 0.0000023000000000, 0.0066641400000000 ] - [ -0.0069473300000000, 0.0000000000000000, 0.0063638900000000 ] - [ -0.0069305400000000, -0.0000023000000000, 0.0066641400000000 ]- atom: 1 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0006060000000000, 0.0000000000000000, 0.0180782900000000 ] - [ -0.0005666200000000, 0.0000509300000000, 0.0010425300000000 ] - [ -0.0005666200000000, -0.0000509300000000, 0.0010425300000000 ] - [ -0.0001764100000000, 0.0000000000000000, -0.0013021600000000 ] - [ -0.0001274700000000, 0.0002836600000000, -0.0002480600000000 ] - [ -0.0001274700000000, -0.0002836600000000, -0.0002480600000000 ] - [ -0.0001554800000000, 0.0000000000000000, -0.0002761400000000 ] - [ -0.0001666600000000, 0.0001744500000000, 0.0001178300000000 ] - [ -0.0001666600000000, -0.0001744500000000, 0.0001178300000000 ] - [ 0.0011621000000000, 0.0000000000000000, -0.0030427400000000 ] - [ 0.0039725400000000, 0.0015807400000000, -0.0041638600000000 ] - [ 0.0039725400000000, -0.0015807400000000, -0.0041638600000000 ] - [ 0.0125891600000000, 0.0000000000000000, -0.0024279100000000 ] - [ 0.0101314600000000, -0.0017986200000000, -0.0040195000000000 ] - [ 0.0101314600000000, 0.0017986200000000, -0.0040195000000000 ] - [ -0.0017855600000000, 0.0000000000000000, -0.0062300000000000 ] - [ 0.0009163600000000, -0.0018087000000000, -0.0077701500000000 ] - [ 0.0009163600000000, 0.0018087000000000, -0.0077701500000000 ] - [ -0.0009313500000000, 0.0004460300000000, -0.0000651200000000 ] - [ -0.0006626700000000, 0.0000000000000000, -0.0011902600000000 ] - [ -0.0009313500000000, -0.0004460300000000, -0.0000651200000000 ] - [ 0.0007587000000000, 0.0025024400000000, 0.0002700200000000 ] - [ 0.0020572000000000, 0.0000000000000000, -0.0000696900000000 ] - [ 0.0007587000000000, -0.0025024400000000, 0.0002700200000000 ] - [ -0.0006044500000000, -0.0002428700000000, -0.0079006800000000 ] - [ -0.0003547600000000, 0.0000000000000000, -0.0041921500000000 ] - [ -0.0006044500000000, 0.0002428700000000, -0.0079006800000000 ] - [ 0.0020372900000000, 0.0009514400000000, -0.0006128100000000 ] - [ 0.0018857000000000, 0.0000000000000000, -0.0003505200000000 ] - [ 0.0020372900000000, -0.0009514400000000, -0.0006128100000000 ] - [ 0.0000209500000000, -0.0001565100000000, -0.0070128700000000 ] - [ -0.0000968200000000, 0.0000000000000000, -0.0035256600000000 ] - [ 0.0000209500000000, 0.0001565100000000, -0.0070128700000000 ] - [ 0.0023170800000000, 0.0001487500000000, 0.0004274300000000 ] - [ 0.0022855600000000, 0.0000000000000000, 0.0001939600000000 ] - [ 0.0023170800000000, -0.0001487500000000, 0.0004274300000000 ] - [ 0.0007263500000000, 0.0005097400000000, -0.0001711800000000 ] - [ 0.0004321300000000, 0.0000000000000000, -0.0011979500000000 ] - [ 0.0007263500000000, -0.0005097400000000, -0.0001711800000000 ] - [ -0.0004899200000000, -0.0000389600000000, -0.0007188400000000 ] - [ -0.0005037800000000, 0.0000000000000000, -0.0010124600000000 ] - [ -0.0004899200000000, 0.0000389600000000, -0.0007188400000000 ] - [ 0.0024923700000000, -0.0000024900000000, 0.0009585100000000 ] - [ 0.0024880400000000, 0.0000000000000000, 0.0008889600000000 ] - [ 0.0024923700000000, 0.0000024900000000, 0.0009585100000000 ] - [ -0.0004538200000000, 0.0000432600000000, 0.0000571800000000 ] - [ -0.0004574900000000, 0.0000000000000000, -0.0002390400000000 ] - [ -0.0004538200000000, -0.0000432600000000, 0.0000571800000000 ] - [ 0.0026110400000000, 0.0001120100000000, 0.0008943100000000 ] - [ 0.0026057100000000, 0.0000000000000000, 0.0006804800000000 ] - [ 0.0026110400000000, -0.0001120100000000, 0.0008943100000000 ] - [ 0.0001382200000000, 0.0000432800000000, -0.0002775000000000 ] - [ 0.0001391300000000, 0.0000000000000000, -0.0005724900000000 ] - [ 0.0001382200000000, -0.0000432800000000, -0.0002775000000000 ] - [ 0.0029548000000000, -0.0000604100000000, 0.0001555200000000 ] - [ 0.0029445100000000, 0.0000000000000000, -0.0001049200000000 ] - [ 0.0029548000000000, 0.0000604100000000, 0.0001555200000000 ] - [ -0.0002937200000000, -0.0000403900000000, -0.0001375500000000 ] - [ -0.0002875800000000, 0.0000000000000000, -0.0004872500000000 ] - [ -0.0002937200000000, 0.0000403900000000, -0.0001375500000000 ] - [ 0.0021903200000000, -0.0025972300000000, 0.0001979000000000 ] - [ 0.0013807000000000, 0.0000000000000000, -0.0005335800000000 ] - [ 0.0021903200000000, 0.0025972300000000, 0.0001979000000000 ] - [ 0.0000196300000000, -0.0004147000000000, 0.0011270100000000 ] - [ 0.0003370700000000, 0.0000000000000000, -0.0002000800000000 ] - [ 0.0000196300000000, 0.0004147000000000, 0.0011270100000000 ] - [ 0.0023481300000000, -0.0000705100000000, 0.0002889300000000 ] - [ 0.0023496300000000, 0.0000000000000000, 0.0000416100000000 ] - [ 0.0023481300000000, 0.0000705100000000, 0.0002889300000000 ] - [ 0.0001740100000000, -0.0003784800000000, -0.0005720300000000 ] - [ -0.0001063800000000, 0.0000000000000000, -0.0018681000000000 ] - [ 0.0001740100000000, 0.0003784800000000, -0.0005720300000000 ] - [ 0.0024602000000000, 0.0000023100000000, 0.0006073300000000 ] - [ 0.0024556700000000, 0.0000000000000000, 0.0005318700000000 ] - [ 0.0024602000000000, -0.0000023100000000, 0.0006073300000000 ] - [ 0.0022436200000000, -0.0010121400000000, -0.0003342100000000 ] - [ 0.0024111800000000, 0.0000000000000000, -0.0000582000000000 ] - [ 0.0022436200000000, 0.0010121400000000, -0.0003342100000000 ] - [ 0.0054901900000000, 0.0000000000000000, -0.0028975200000000 ] - [ 0.0055020300000000, 0.0003092400000000, -0.0031079900000000 ] - [ 0.0055020300000000, -0.0003092400000000, -0.0031079900000000 ] - [ 0.0046467100000000, 0.0000000000000000, -0.0029722200000000 ] - [ 0.0046471200000000, 0.0000040200000000, -0.0030107200000000 ] - [ 0.0046471200000000, -0.0000040200000000, -0.0030107200000000 ] - [ 0.0075429600000000, 0.0000000000000000, -0.0028535600000000 ] - [ 0.0053373400000000, 0.0012678100000000, -0.0031032500000000 ] - [ 0.0053373400000000, -0.0012678100000000, -0.0031032500000000 ] - [ 0.0069511300000000, 0.0000000000000000, -0.0001575600000000 ] - [ 0.0069455000000000, -0.0003036900000000, -0.0002987900000000 ] - [ 0.0069455000000000, 0.0003036900000000, -0.0002987900000000 ] - [ 0.0047897300000000, 0.0000000000000000, -0.0037707600000000 ] - [ 0.0047363700000000, 0.0003091400000000, -0.0039825500000000 ] - [ 0.0047363700000000, -0.0003091400000000, -0.0039825500000000 ] - [ 0.0052064700000000, 0.0000000000000000, -0.0035732700000000 ] - [ 0.0052063800000000, 0.0000020900000000, -0.0036127000000000 ] - [ 0.0052063800000000, -0.0000020900000000, -0.0036127000000000 ] - [ 0.0068436400000000, 0.0000000000000000, 0.0048433800000000 ] - [ 0.0068615800000000, -0.0003309500000000, 0.0047197700000000 ] - [ 0.0068615800000000, 0.0003309500000000, 0.0047197700000000 ] - [ 0.0005740000000000, 0.0000000000000000, 0.0035448600000000 ] - [ 0.0005194100000000, 0.0000567800000000, 0.0015340500000000 ] - [ 0.0005194100000000, -0.0000567800000000, 0.0015340500000000 ] - [ -0.0003014300000000, 0.0000000000000000, -0.0053675500000000 ] - [ -0.0003675700000000, -0.0006188100000000, -0.0004154600000000 ] - [ -0.0003675700000000, 0.0006188100000000, -0.0004154600000000 ] - [ -0.0003961500000000, 0.0000000000000000, -0.0007677000000000 ] - [ -0.0003961500000000, -0.0000649300000000, -0.0006625100000000 ] - [ -0.0003961500000000, 0.0000649300000000, -0.0006625100000000 ] - [ -0.0000121500000000, 0.0000000000000000, -0.0009350600000000 ] - [ 0.0000037500000000, -0.0003182200000000, -0.0001485800000000 ] - [ 0.0000037500000000, 0.0003182200000000, -0.0001485800000000 ] - [ -0.0005856600000000, 0.0000000000000000, -0.0005532300000000 ] - [ -0.0005847700000000, -0.0000583200000000, -0.0004484700000000 ] - [ -0.0005847700000000, 0.0000583200000000, -0.0004484700000000 ] - [ 0.0000855000000000, 0.0000000000000000, -0.0005826500000000 ] - [ 0.0000901300000000, 0.0000646400000000, -0.0004903900000000 ] - [ 0.0000901300000000, -0.0000646400000000, -0.0004903900000000 ] - [ -0.0006036500000000, 0.0000000000000000, -0.0007182800000000 ] - [ -0.0006072200000000, 0.0000604700000000, -0.0006360100000000 ] - [ -0.0006072200000000, -0.0000604700000000, -0.0006360100000000 ] - [ -0.0092259700000000, 0.0003179500000000, -0.0055711900000000 ] - [ -0.0093657800000000, 0.0000000000000000, -0.0043004600000000 ] - [ -0.0092259700000000, -0.0003179500000000, -0.0055711900000000 ] - [ -0.0179547700000000, 0.0064804000000000, 0.0053472200000000 ] - [ -0.0112808100000000, 0.0000000000000000, 0.0067085800000000 ] - [ -0.0179547700000000, -0.0064804000000000, 0.0053472200000000 ] - [ 0.0033090100000000, 0.0081036100000000, 0.0083453200000000 ] - [ -0.0032421500000000, 0.0000000000000000, 0.0100173600000000 ] - [ 0.0033090100000000, -0.0081036100000000, 0.0083453200000000 ] - [ 0.0007097700000000, -0.0060449300000000, 0.0060751900000000 ] - [ -0.0058074000000000, 0.0000000000000000, 0.0064067600000000 ] - [ 0.0007097700000000, 0.0060449300000000, 0.0060751900000000 ] - [ -0.0065028900000000, -0.0003246500000000, 0.0041163800000000 ] - [ -0.0064369700000000, 0.0000000000000000, 0.0050410400000000 ] - [ -0.0065028900000000, 0.0003246500000000, 0.0041163800000000 ] - [ -0.0074993400000000, -0.0003195100000000, 0.0030233200000000 ] - [ -0.0075039100000000, 0.0000000000000000, 0.0040031600000000 ] - [ -0.0074993400000000, 0.0003195100000000, 0.0030233200000000 ] - [ -0.0122881500000000, -0.0067293800000000, 0.0047687600000000 ] - [ -0.0069253400000000, 0.0000000000000000, 0.0051961000000000 ] - [ -0.0122881500000000, 0.0067293800000000, 0.0047687600000000 ] - [ -0.0069546300000000, -0.0000034600000000, 0.0029427900000000 ] - [ -0.0069566500000000, 0.0000000000000000, 0.0032334600000000 ] - [ -0.0069546300000000, 0.0000034600000000, 0.0029427900000000 ] - [ -0.0088923300000000, 0.0002689400000000, 0.0005165300000000 ] - [ -0.0088023500000000, 0.0000000000000000, 0.0016203600000000 ] - [ -0.0088923300000000, -0.0002689400000000, 0.0005165300000000 ] - [ -0.0070684000000000, -0.0000026200000000, 0.0036384900000000 ] - [ -0.0070510000000000, 0.0000000000000000, 0.0039421900000000 ] - [ -0.0070684000000000, 0.0000026200000000, 0.0036384900000000 ]- atom: 4 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0010129000000000, 0.0000000000000000, -0.0000228000000000 ] - [ -0.0006946900000000, -0.0000100200000000, -0.0000707200000000 ] - [ -0.0006946900000000, 0.0000100200000000, -0.0000707200000000 ] - [ -0.0200183400000000, 0.0000000000000000, 0.0021709000000000 ] - [ -0.0008503000000000, 0.0000125900000000, 0.0000769800000000 ] - [ -0.0008503000000000, -0.0000125900000000, 0.0000769800000000 ] - [ 0.0041678600000000, 0.0000000000000000, 0.0003777400000000 ] - [ 0.0004196100000000, -0.0000469400000000, 0.0003630600000000 ] - [ 0.0004196100000000, 0.0000469400000000, 0.0003630600000000 ] - [ 0.0044447300000000, 0.0000000000000000, -0.0035413800000000 ] - [ 0.0044677500000000, 0.0001101700000000, -0.0035691700000000 ] - [ 0.0044677500000000, -0.0001101700000000, -0.0035691700000000 ] - [ 0.0078438500000000, 0.0000000000000000, -0.0001402100000000 ] - [ 0.0093670100000000, 0.0013897800000000, -0.0028668300000000 ] - [ 0.0093670100000000, -0.0013897800000000, -0.0028668300000000 ] - [ -0.0003838400000000, 0.0000000000000000, -0.0104041300000000 ] - [ 0.0013224600000000, -0.0012533900000000, -0.0078053900000000 ] - [ 0.0013224600000000, 0.0012533900000000, -0.0078053900000000 ] - [ -0.0006755200000000, 0.0000139700000000, -0.0011465900000000 ] - [ -0.0006565800000000, 0.0000000000000000, -0.0012007500000000 ] - [ -0.0006755200000000, -0.0000139700000000, -0.0011465900000000 ] - [ 0.0022771800000000, 0.0000026500000000, 0.0002785900000000 ] - [ 0.0021352800000000, 0.0000000000000000, 0.0002662500000000 ] - [ 0.0022771800000000, -0.0000026500000000, 0.0002785900000000 ] - [ -0.0004367000000000, -0.0004172300000000, -0.0034427400000000 ] - [ -0.0003762300000000, 0.0000000000000000, -0.0023747000000000 ] - [ -0.0004367000000000, 0.0004172300000000, -0.0034427400000000 ] - [ 0.0016774100000000, 0.0000039000000000, 0.0000518600000000 ] - [ 0.0018000000000000, 0.0000000000000000, 0.0000545200000000 ] - [ 0.0016774100000000, -0.0000039000000000, 0.0000518600000000 ] - [ -0.0002968200000000, 0.0004138900000000, 0.0001311600000000 ] - [ -0.0001265300000000, 0.0000000000000000, -0.0009333600000000 ] - [ -0.0002968200000000, -0.0004138900000000, 0.0001311600000000 ] - [ 0.0023462500000000, 0.0000005100000000, -0.0000792700000000 ] - [ 0.0023344900000000, 0.0000000000000000, -0.0000823500000000 ] - [ 0.0023462500000000, -0.0000005100000000, -0.0000792700000000 ] - [ 0.0003734800000000, -0.0000122200000000, -0.0013388700000000 ] - [ 0.0003593000000000, 0.0000000000000000, -0.0012927200000000 ] - [ 0.0003734800000000, 0.0000122200000000, -0.0013388700000000 ] - [ -0.0006127600000000, 0.0004931200000000, -0.0032743000000000 ] - [ -0.0005558000000000, 0.0000000000000000, -0.0022983400000000 ] - [ -0.0006127600000000, -0.0004931200000000, -0.0032743000000000 ] - [ 0.0027540800000000, -0.0000022900000000, 0.0005535500000000 ] - [ 0.0026309700000000, 0.0000000000000000, 0.0005444700000000 ] - [ 0.0027540800000000, 0.0000022900000000, 0.0005535500000000 ] - [ -0.0004538000000000, -0.0000148700000000, -0.0009626400000000 ] - [ -0.0004678600000000, 0.0000000000000000, -0.0010420300000000 ] - [ -0.0004538000000000, 0.0000148700000000, -0.0009626400000000 ] - [ 0.0025434900000000, -0.0000002400000000, 0.0004508700000000 ] - [ 0.0025534500000000, 0.0000000000000000, 0.0004494000000000 ] - [ 0.0025434900000000, 0.0000002400000000, 0.0004508700000000 ] - [ 0.0001048500000000, 0.0000123500000000, -0.0016368400000000 ] - [ 0.0001212300000000, 0.0000000000000000, -0.0015797400000000 ] - [ 0.0001048500000000, -0.0000123500000000, -0.0016368400000000 ] - [ 0.0068801800000000, -0.0001091000000000, -0.0002967400000000 ] - [ 0.0035426600000000, 0.0000000000000000, -0.0003639100000000 ] - [ 0.0068801800000000, 0.0001091000000000, -0.0002967400000000 ] - [ -0.0002146000000000, -0.0005776900000000, 0.0001815800000000 ] - [ -0.0002923800000000, 0.0000000000000000, -0.0010503100000000 ] - [ -0.0002146000000000, 0.0005776900000000, 0.0001815800000000 ] - [ 0.0049053200000000, 0.0000068000000000, -0.0001150600000000 ] - [ 0.0020598600000000, 0.0000000000000000, -0.0001762400000000 ] - [ 0.0049053200000000, -0.0000068000000000, -0.0001150600000000 ] - [ 0.0000805200000000, -0.0020898300000000, -0.0010289600000000 ] - [ 0.0004824100000000, 0.0000000000000000, -0.0005011900000000 ] - [ 0.0000805200000000, 0.0020898300000000, -0.0010289600000000 ] - [ -0.0004212300000000, -0.0000925900000000, -0.0001215900000000 ] - [ 0.0018039900000000, 0.0000000000000000, -0.0001708300000000 ] - [ -0.0004212300000000, 0.0000925900000000, -0.0001215900000000 ] - [ 0.0000863400000000, 0.0017783200000000, -0.0011183600000000 ] - [ -0.0000965000000000, 0.0000000000000000, -0.0021510000000000 ] - [ 0.0000863400000000, -0.0017783200000000, -0.0011183600000000 ] - [ 0.0021547300000000, 0.0000010100000000, 0.0002057600000000 ] - [ 0.0022777300000000, 0.0000000000000000, 0.0001958800000000 ] - [ 0.0021547300000000, -0.0000010100000000, 0.0002057600000000 ] - [ -0.0004545500000000, 0.0000154800000000, 0.0002564100000000 ] - [ 0.0017777400000000, 0.0000000000000000, 0.0002566600000000 ] - [ -0.0004545500000000, -0.0000154800000000, 0.0002564100000000 ] - [ 0.0055220500000000, 0.0000000000000000, -0.0034612700000000 ] - [ 0.0055224300000000, 0.0000055600000000, -0.0034621500000000 ] - [ 0.0055224300000000, -0.0000055600000000, -0.0034621500000000 ] - [ 0.0046443000000000, 0.0000000000000000, -0.0035173900000000 ] - [ 0.0046469100000000, 0.0001049500000000, -0.0035341700000000 ] - [ 0.0046469100000000, -0.0001049500000000, -0.0035341700000000 ] - [ 0.0049400300000000, 0.0000000000000000, -0.0027220100000000 ] - [ 0.0049602400000000, -0.0000934000000000, -0.0027022500000000 ] - [ 0.0049602400000000, 0.0000934000000000, -0.0027022500000000 ] - [ 0.0060670200000000, 0.0000000000000000, -0.0037489900000000 ] - [ 0.0068052800000000, 0.0010669800000000, -0.0011773800000000 ] - [ 0.0068052800000000, -0.0010669800000000, -0.0011773800000000 ] - [ 0.0047217200000000, 0.0000000000000000, -0.0043195200000000 ] - [ 0.0047218500000000, -0.0000046600000000, -0.0043204900000000 ] - [ 0.0047218500000000, 0.0000046600000000, -0.0043204900000000 ] - [ 0.0052200500000000, 0.0000000000000000, -0.0038386700000000 ] - [ 0.0052267600000000, -0.0001248200000000, -0.0038399800000000 ] - [ 0.0052267600000000, 0.0001248200000000, -0.0038399800000000 ] - [ 0.0054320800000000, 0.0000000000000000, 0.0074973900000000 ] - [ 0.0070009200000000, -0.0013617100000000, 0.0049571300000000 ] - [ 0.0070009200000000, 0.0013617100000000, 0.0049571300000000 ] - [ 0.0016636400000000, 0.0000000000000000, 0.0000545100000000 ] - [ 0.0008683500000000, 0.0000042300000000, 0.0001047600000000 ] - [ 0.0008683500000000, -0.0000042300000000, 0.0001047600000000 ] - [ -0.0003887900000000, 0.0000000000000000, 0.0000651600000000 ] - [ -0.0003762900000000, -0.0000047000000000, 0.0000694000000000 ] - [ -0.0003762900000000, 0.0000047000000000, 0.0000694000000000 ] - [ -0.0004794400000000, 0.0000000000000000, -0.0001822500000000 ] - [ -0.0004722500000000, -0.0000000200000000, -0.0001803400000000 ] - [ -0.0004722500000000, 0.0000000200000000, -0.0001803400000000 ] - [ 0.0000456600000000, 0.0000000000000000, 0.0000381200000000 ] - [ 0.0000332700000000, 0.0000001200000000, 0.0000407400000000 ] - [ 0.0000332700000000, -0.0000001200000000, 0.0000407400000000 ] - [ -0.0005001400000000, 0.0000000000000000, 0.0000232500000000 ] - [ -0.0005081300000000, 0.0000024700000000, 0.0000242200000000 ] - [ -0.0005081300000000, -0.0000024700000000, 0.0000242200000000 ] - [ -0.0013369700000000, 0.0000000000000000, -0.0000788400000000 ] - [ -0.0002829600000000, 0.0000101000000000, 0.0000259800000000 ] - [ -0.0002829600000000, -0.0000101000000000, 0.0000259800000000 ] - [ 0.0007652200000000, 0.0000000000000000, -0.0002343000000000 ] - [ -0.0001721300000000, 0.0000462400000000, -0.0002072500000000 ] - [ -0.0001721300000000, -0.0000462400000000, -0.0002072500000000 ] - [ -0.0060401700000000, 0.0086344500000000, -0.0112448100000000 ] - [ -0.0094733800000000, 0.0000000000000000, -0.0035606200000000 ] - [ -0.0060401700000000, -0.0086344500000000, -0.0112448100000000 ] - [ -0.0091703400000000, -0.0065970000000000, -0.0027312800000000 ] - [ -0.0111840200000000, 0.0000000000000000, 0.0049909000000000 ] - [ -0.0091703400000000, 0.0065970000000000, -0.0027312800000000 ] - [ -0.0012643300000000, 0.0058512300000000, 0.0157201500000000 ] - [ -0.0034536200000000, 0.0000000000000000, 0.0088168800000000 ] - [ -0.0012643300000000, -0.0058512300000000, 0.0157201500000000 ] - [ -0.0060884600000000, -0.0000599400000000, 0.0041661900000000 ] - [ -0.0060290800000000, 0.0000000000000000, 0.0046421900000000 ] - [ -0.0060884600000000, 0.0000599400000000, 0.0041661900000000 ] - [ -0.0064009200000000, 0.0000019200000000, 0.0057218300000000 ] - [ -0.0063941500000000, 0.0000000000000000, 0.0057290700000000 ] - [ -0.0064009200000000, -0.0000019200000000, 0.0057218300000000 ] - [ -0.0075253000000000, -0.0000028600000000, 0.0047400800000000 ] - [ -0.0075265600000000, 0.0000000000000000, 0.0047490400000000 ] - [ -0.0075253000000000, 0.0000028600000000, 0.0047400800000000 ] - [ -0.0068268500000000, 0.0000424700000000, 0.0043255500000000 ] - [ -0.0067850700000000, 0.0000000000000000, 0.0038894900000000 ] - [ -0.0068268500000000, -0.0000424700000000, 0.0043255500000000 ] - [ -0.0069884400000000, -0.0000281700000000, 0.0051468000000000 ] - [ -0.0069707600000000, 0.0000000000000000, 0.0047083100000000 ] - [ -0.0069884400000000, 0.0000281700000000, 0.0051468000000000 ] - [ -0.0068258400000000, -0.0072924300000000, 0.0092175400000000 ] - [ -0.0087884900000000, 0.0000000000000000, 0.0028040600000000 ] - [ -0.0068258400000000, 0.0072924300000000, 0.0092175400000000 ] - [ -0.0070226600000000, 0.0000428600000000, 0.0043551500000000 ] - [ -0.0070011200000000, 0.0000000000000000, 0.0048832800000000 ] - [ -0.0070226600000000, -0.0000428600000000, 0.0043551500000000 ]- atom: 4 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0000583000000000, 0.0000000000000000, -0.0001101900000000 ] - [ -0.0003760400000000, 0.0000093000000000, -0.0000621800000000 ] - [ -0.0003760400000000, -0.0000093000000000, -0.0000621800000000 ] - [ 0.0198186900000000, 0.0000000000000000, -0.0018946900000000 ] - [ 0.0005853900000000, -0.0000177600000000, 0.0000390400000000 ] - [ 0.0005853900000000, 0.0000177600000000, 0.0000390400000000 ] - [ -0.0045106800000000, 0.0000000000000000, 0.0002448100000000 ] - [ -0.0007313600000000, 0.0000466500000000, 0.0002589800000000 ] - [ -0.0007313600000000, -0.0000466500000000, 0.0002589800000000 ] - [ 0.0045285400000000, 0.0000000000000000, -0.0038583800000000 ] - [ 0.0045065000000000, -0.0001085100000000, -0.0038303400000000 ] - [ 0.0045065000000000, 0.0001085100000000, -0.0038303400000000 ] - [ 0.0114129900000000, 0.0000000000000000, -0.0067656900000000 ] - [ 0.0099049500000000, -0.0013908800000000, -0.0040218700000000 ] - [ 0.0099049500000000, 0.0013908800000000, -0.0040218700000000 ] - [ 0.0031521300000000, 0.0000000000000000, -0.0040450600000000 ] - [ 0.0014367200000000, 0.0012510100000000, -0.0066249800000000 ] - [ 0.0014367200000000, -0.0012510100000000, -0.0066249800000000 ] - [ -0.0006183900000000, -0.0000140900000000, -0.0014563000000000 ] - [ -0.0006370800000000, 0.0000000000000000, -0.0014027800000000 ] - [ -0.0006183900000000, 0.0000140900000000, -0.0014563000000000 ] - [ 0.0016644600000000, -0.0000027400000000, 0.0002346500000000 ] - [ 0.0018014300000000, 0.0000000000000000, 0.0002469300000000 ] - [ 0.0016644600000000, 0.0000027400000000, 0.0002346500000000 ] - [ -0.0001997700000000, 0.0004149300000000, -0.0005146300000000 ] - [ -0.0002613500000000, 0.0000000000000000, -0.0015809400000000 ] - [ -0.0001997700000000, -0.0004149300000000, -0.0005146300000000 ] - [ 0.0022151800000000, -0.0000042400000000, 0.0000582100000000 ] - [ 0.0020951700000000, 0.0000000000000000, 0.0000555100000000 ] - [ 0.0022151800000000, 0.0000042400000000, 0.0000582100000000 ] - [ 0.0001949800000000, -0.0004163800000000, -0.0027877800000000 ] - [ 0.0000265800000000, 0.0000000000000000, -0.0017188400000000 ] - [ 0.0001949800000000, 0.0004163800000000, -0.0027877800000000 ] - [ 0.0022112000000000, -0.0000006100000000, -0.0001052000000000 ] - [ 0.0022242500000000, 0.0000000000000000, -0.0001022300000000 ] - [ 0.0022112000000000, 0.0000006100000000, -0.0001052000000000 ] - [ 0.0003134800000000, 0.0000122100000000, -0.0011279000000000 ] - [ 0.0003276400000000, 0.0000000000000000, -0.0011751800000000 ] - [ 0.0003134800000000, -0.0000122100000000, -0.0011279000000000 ] - [ -0.0003997400000000, -0.0004946100000000, -0.0006176600000000 ] - [ -0.0004554400000000, 0.0000000000000000, -0.0015942100000000 ] - [ -0.0003997400000000, 0.0004946100000000, -0.0006176600000000 ] - [ 0.0022092400000000, 0.0000025100000000, 0.0005241900000000 ] - [ 0.0023327400000000, 0.0000000000000000, 0.0005334300000000 ] - [ 0.0022092400000000, -0.0000025100000000, 0.0005241900000000 ] - [ -0.0005022200000000, 0.0000147600000000, -0.0013514100000000 ] - [ -0.0004878400000000, 0.0000000000000000, -0.0012733800000000 ] - [ -0.0005022200000000, -0.0000147600000000, -0.0013514100000000 ] - [ 0.0026678800000000, 0.0000002700000000, 0.0004326000000000 ] - [ 0.0026557700000000, 0.0000000000000000, 0.0004338600000000 ] - [ 0.0026678800000000, -0.0000002700000000, 0.0004326000000000 ] - [ 0.0001586700000000, -0.0000123700000000, -0.0013845200000000 ] - [ 0.0001420900000000, 0.0000000000000000, -0.0014401900000000 ] - [ 0.0001586700000000, 0.0000123700000000, -0.0013845200000000 ] - [ -0.0010084700000000, 0.0001192000000000, -0.0004126800000000 ] - [ 0.0023288100000000, 0.0000000000000000, -0.0003370800000000 ] - [ -0.0010084700000000, -0.0001192000000000, -0.0004126800000000 ] - [ -0.0003468100000000, 0.0005752400000000, -0.0030104000000000 ] - [ -0.0002709600000000, 0.0000000000000000, -0.0017800800000000 ] - [ -0.0003468100000000, -0.0005752400000000, -0.0030104000000000 ] - [ -0.0020740300000000, 0.0000022200000000, -0.0002425200000000 ] - [ 0.0007713100000000, 0.0000000000000000, -0.0001883100000000 ] - [ -0.0020740300000000, -0.0000022200000000, -0.0002425200000000 ] - [ 0.0008353600000000, 0.0021508000000000, 0.0001215100000000 ] - [ 0.0003551700000000, 0.0000000000000000, -0.0004073100000000 ] - [ 0.0008353600000000, -0.0021508000000000, 0.0001215100000000 ] - [ 0.0051196500000000, 0.0000882700000000, -0.0002072600000000 ] - [ 0.0028932100000000, 0.0000000000000000, -0.0001609800000000 ] - [ 0.0051196500000000, -0.0000882700000000, -0.0002072600000000 ] - [ -0.0004235400000000, -0.0017024000000000, -0.0029969600000000 ] - [ -0.0001546400000000, 0.0000000000000000, -0.0019722500000000 ] - [ -0.0004235400000000, 0.0017024000000000, -0.0029969600000000 ] - [ 0.0027067000000000, -0.0000009800000000, 0.0001652200000000 ] - [ 0.0025827600000000, 0.0000000000000000, 0.0001755600000000 ] - [ 0.0027067000000000, 0.0000009800000000, 0.0001652200000000 ] - [ 0.0052805400000000, -0.0000205100000000, 0.0002657200000000 ] - [ 0.0030485200000000, 0.0000000000000000, 0.0002668000000000 ] - [ 0.0052805400000000, 0.0000205100000000, 0.0002657200000000 ] - [ 0.0055319900000000, 0.0000000000000000, -0.0034745700000000 ] - [ 0.0055317200000000, -0.0000060000000000, -0.0034730500000000 ] - [ 0.0055317200000000, 0.0000060000000000, -0.0034730500000000 ] - [ 0.0046550900000000, 0.0000000000000000, -0.0032966400000000 ] - [ 0.0046526300000000, -0.0001049900000000, -0.0032797500000000 ] - [ 0.0046526300000000, 0.0001049900000000, -0.0032797500000000 ] - [ 0.0049538400000000, 0.0000000000000000, -0.0024380600000000 ] - [ 0.0049334200000000, 0.0000930700000000, -0.0024577700000000 ] - [ 0.0049334200000000, -0.0000930700000000, -0.0024577700000000 ] - [ 0.0076971700000000, 0.0000000000000000, 0.0023621800000000 ] - [ 0.0070388400000000, -0.0010664500000000, -0.0001675100000000 ] - [ 0.0070388400000000, 0.0010664500000000, -0.0001675100000000 ] - [ 0.0047170500000000, 0.0000000000000000, -0.0043486500000000 ] - [ 0.0047171400000000, 0.0000048600000000, -0.0043483800000000 ] - [ 0.0047171400000000, -0.0000048600000000, -0.0043483800000000 ] - [ 0.0051842400000000, 0.0000000000000000, -0.0041602400000000 ] - [ 0.0051775600000000, 0.0001249200000000, -0.0041589800000000 ] - [ 0.0051775600000000, -0.0001249200000000, -0.0041589800000000 ] - [ 0.0083806700000000, 0.0000000000000000, 0.0012164400000000 ] - [ 0.0067550400000000, 0.0013600600000000, 0.0037766800000000 ] - [ 0.0067550400000000, -0.0013600600000000, 0.0037766800000000 ] - [ -0.0007999500000000, 0.0000000000000000, 0.0001638200000000 ] - [ -0.0000058100000000, -0.0000035800000000, 0.0001113500000000 ] - [ -0.0000058100000000, 0.0000035800000000, 0.0001113500000000 ] - [ -0.0002178600000000, 0.0000000000000000, 0.0001134500000000 ] - [ -0.0002288000000000, 0.0000055900000000, 0.0001084300000000 ] - [ -0.0002288000000000, -0.0000055900000000, 0.0001084300000000 ] - [ -0.0003114600000000, 0.0000000000000000, -0.0001560700000000 ] - [ -0.0003198200000000, -0.0000004200000000, -0.0001580400000000 ] - [ -0.0003198200000000, 0.0000004200000000, -0.0001580400000000 ] - [ -0.0001168200000000, 0.0000000000000000, 0.0000591200000000 ] - [ -0.0001053900000000, -0.0000004700000000, 0.0000566800000000 ] - [ -0.0001053900000000, 0.0000004700000000, 0.0000566800000000 ] - [ -0.0006624400000000, 0.0000000000000000, 0.0000557800000000 ] - [ -0.0006544300000000, -0.0000022900000000, 0.0000550700000000 ] - [ -0.0006544300000000, 0.0000022900000000, 0.0000550700000000 ] - [ 0.0015154800000000, 0.0000000000000000, 0.0001508800000000 ] - [ 0.0004630400000000, -0.0000117600000000, 0.0000335200000000 ] - [ 0.0004630400000000, 0.0000117600000000, 0.0000335200000000 ] - [ -0.0019789100000000, 0.0000000000000000, -0.0000926900000000 ] - [ -0.0010422400000000, -0.0000460700000000, -0.0001174700000000 ] - [ -0.0010422400000000, 0.0000460700000000, -0.0001174700000000 ] - [ -0.0128396900000000, -0.0085705800000000, 0.0045837400000000 ] - [ -0.0094010300000000, 0.0000000000000000, -0.0030569400000000 ] - [ -0.0128396900000000, 0.0085705800000000, 0.0045837400000000 ] - [ -0.0131721900000000, 0.0066364100000000, 0.0131244100000000 ] - [ -0.0111783400000000, 0.0000000000000000, 0.0053780700000000 ] - [ -0.0131721900000000, -0.0066364100000000, 0.0131244100000000 ] - [ -0.0056762500000000, -0.0058121700000000, 0.0012873900000000 ] - [ -0.0034726300000000, 0.0000000000000000, 0.0081667600000000 ] - [ -0.0056762500000000, 0.0058121700000000, 0.0012873900000000 ] - [ -0.0058506400000000, 0.0000582800000000, 0.0056652000000000 ] - [ -0.0059055000000000, 0.0000000000000000, 0.0051899700000000 ] - [ -0.0058506400000000, -0.0000582800000000, 0.0056652000000000 ] - [ -0.0063901100000000, -0.0000034300000000, 0.0058105600000000 ] - [ -0.0063943300000000, 0.0000000000000000, 0.0057975100000000 ] - [ -0.0063901100000000, 0.0000034300000000, 0.0058105600000000 ] - [ -0.0075183100000000, 0.0000047600000000, 0.0048065400000000 ] - [ -0.0075185100000000, 0.0000000000000000, 0.0048008400000000 ] - [ -0.0075183100000000, -0.0000047600000000, 0.0048065400000000 ] - [ -0.0066852600000000, -0.0000396300000000, 0.0029532000000000 ] - [ -0.0067289600000000, 0.0000000000000000, 0.0033868400000000 ] - [ -0.0066852600000000, 0.0000396300000000, 0.0029532000000000 ] - [ -0.0069221100000000, 0.0000269200000000, 0.0038169200000000 ] - [ -0.0069399900000000, 0.0000000000000000, 0.0042522200000000 ] - [ -0.0069221100000000, -0.0000269200000000, 0.0038169200000000 ] - [ -0.0106806200000000, 0.0073364600000000, -0.0042436200000000 ] - [ -0.0087350000000000, 0.0000000000000000, 0.0022033900000000 ] - [ -0.0106806200000000, -0.0073364600000000, -0.0042436200000000 ] - [ -0.0069770000000000, -0.0000421800000000, 0.0059466300000000 ] - [ -0.0069978000000000, 0.0000000000000000, 0.0054229500000000 ] - [ -0.0069770000000000, 0.0000421800000000, 0.0059466300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005352700000000, -0.0006803300000000, -0.0000674200000000 ] - [ -0.0005164000000000, 0.0003442100000000, 0.0002176900000000 ] - [ -0.0005540400000000, 0.0003436400000000, -0.0003489800000000 ] - [ -0.0001006100000000, -0.0193289200000000, 0.0000590100000000 ] - [ -0.0001482000000000, 0.0019385300000000, 0.0000028400000000 ] - [ -0.0001177400000000, 0.0019190200000000, 0.0001150000000000 ] - [ -0.0001518600000000, -0.0014912500000000, 0.0003100500000000 ] - [ -0.0002014100000000, 0.0006638400000000, 0.0002696600000000 ] - [ -0.0001092300000000, 0.0006646300000000, 0.0003506600000000 ] - [ 0.0044870000000000, 0.0006844000000000, -0.0036993000000000 ] - [ 0.0044677700000000, -0.0003393300000000, -0.0038132900000000 ] - [ 0.0045069600000000, -0.0003409200000000, -0.0035857200000000 ] - [ 0.0096316500000000, 0.0056216000000000, -0.0034394700000000 ] - [ 0.0098320600000000, -0.0023322800000000, -0.0039257100000000 ] - [ 0.0094417300000000, -0.0023353800000000, -0.0029616900000000 ] - [ 0.0013843600000000, 0.0050387900000000, -0.0072097600000000 ] - [ 0.0011345200000000, -0.0020953300000000, -0.0076406800000000 ] - [ 0.0016222400000000, -0.0020985600000000, -0.0067881600000000 ] - [ -0.0006311500000000, 0.0000531200000000, -0.0015580700000000 ] - [ -0.0006469000000000, -0.0001060600000000, -0.0013018200000000 ] - [ -0.0006627300000000, 0.0000530700000000, -0.0010452600000000 ] - [ 0.0019470000000000, 0.0000705600000000, -0.0000139100000000 ] - [ 0.0019689700000000, -0.0001391900000000, 0.0002568600000000 ] - [ 0.0019944700000000, 0.0000704100000000, 0.0005273100000000 ] - [ -0.0006943000000000, 0.0002649200000000, -0.0038358700000000 ] - [ -0.0003187700000000, -0.0004654000000000, -0.0019774100000000 ] - [ 0.0000547100000000, 0.0002624500000000, -0.0001204900000000 ] - [ 0.0019182900000000, 0.0000831400000000, -0.0002341500000000 ] - [ 0.0019472600000000, -0.0001661400000000, 0.0000553300000000 ] - [ 0.0019745600000000, 0.0000830700000000, 0.0003447500000000 ] - [ 0.0003479300000000, 0.0002790700000000, -0.0032344700000000 ] - [ -0.0000499100000000, -0.0004869400000000, -0.0013260900000000 ] - [ -0.0004466200000000, 0.0002771700000000, 0.0005784200000000 ] - [ 0.0022724200000000, 0.0000296400000000, -0.0000848100000000 ] - [ 0.0022796200000000, -0.0000591400000000, -0.0000920900000000 ] - [ 0.0022856000000000, 0.0000298500000000, -0.0000992900000000 ] - [ 0.0003531100000000, 0.0000508200000000, -0.0014892400000000 ] - [ 0.0003436500000000, -0.0001021300000000, -0.0012337700000000 ] - [ 0.0003341200000000, 0.0000506500000000, -0.0009769400000000 ] - [ -0.0000616200000000, 0.0003396700000000, -0.0002113600000000 ] - [ -0.0005054100000000, -0.0005330300000000, -0.0019458400000000 ] - [ -0.0009467700000000, 0.0003367900000000, -0.0036787300000000 ] - [ 0.0024670300000000, 0.0001356900000000, 0.0008019600000000 ] - [ 0.0024819100000000, -0.0002916000000000, 0.0005395600000000 ] - [ 0.0024961500000000, 0.0001353300000000, 0.0002770300000000 ] - [ -0.0004610700000000, 0.0000529400000000, -0.0008725900000000 ] - [ -0.0004777200000000, -0.0001060400000000, -0.0011572200000000 ] - [ -0.0004948600000000, 0.0000529900000000, -0.0014407200000000 ] - [ 0.0026040700000000, 0.0000309400000000, 0.0004493900000000 ] - [ 0.0026049400000000, -0.0000614600000000, 0.0004418200000000 ] - [ 0.0026081300000000, 0.0000308600000000, 0.0004343600000000 ] - [ 0.0001458000000000, 0.0000544700000000, -0.0012197100000000 ] - [ 0.0001317400000000, -0.0001068900000000, -0.0015095100000000 ] - [ 0.0001178300000000, 0.0000543100000000, -0.0018005900000000 ] - [ 0.0034391200000000, -0.0012937800000000, 0.0029504700000000 ] - [ 0.0029354200000000, -0.0007199300000000, -0.0003504500000000 ] - [ 0.0024333900000000, -0.0013210300000000, -0.0036467900000000 ] - [ -0.0006915900000000, 0.0003178000000000, 0.0003927000000000 ] - [ -0.0002817500000000, -0.0005200300000000, -0.0014150400000000 ] - [ 0.0001258000000000, 0.0003147000000000, -0.0032231400000000 ] - [ 0.0012874900000000, -0.0009459700000000, -0.0027242600000000 ] - [ 0.0014154500000000, -0.0006088400000000, -0.0001821400000000 ] - [ 0.0015423100000000, -0.0009511600000000, 0.0023430500000000 ] - [ -0.0022399000000000, 0.0001309600000000, -0.0007126700000000 ] - [ 0.0004179700000000, -0.0006718700000000, -0.0004543900000000 ] - [ 0.0031526000000000, 0.0000199300000000, -0.0001893800000000 ] - [ 0.0019541900000000, 0.0004379000000000, 0.0007794600000000 ] - [ 0.0023492600000000, -0.0006709400000000, -0.0001658000000000 ] - [ 0.0027436200000000, 0.0004339400000000, -0.0011093300000000 ] - [ 0.0017517100000000, 0.0006256900000000, -0.0032019200000000 ] - [ -0.0001248400000000, -0.0007286100000000, -0.0020623000000000 ] - [ -0.0020993700000000, 0.0004894100000000, -0.0009090600000000 ] - [ 0.0024505500000000, 0.0000859500000000, 0.0004916900000000 ] - [ 0.0024303400000000, -0.0001729000000000, 0.0001860300000000 ] - [ 0.0024113300000000, 0.0000854600000000, -0.0001196700000000 ] - [ 0.0025172800000000, 0.0004358700000000, -0.0007762600000000 ] - [ 0.0024135200000000, -0.0006783500000000, 0.0002617200000000 ] - [ 0.0023097500000000, 0.0004333900000000, 0.0012981400000000 ] - [ 0.0055271000000000, 0.0002178600000000, -0.0034677100000000 ] - [ 0.0055231400000000, -0.0001089400000000, -0.0034635700000000 ] - [ 0.0055309000000000, -0.0001084700000000, -0.0034715300000000 ] - [ 0.0046498600000000, 0.0006370500000000, -0.0034071100000000 ] - [ 0.0046591200000000, -0.0003144900000000, -0.0032632900000000 ] - [ 0.0046408900000000, -0.0003149500000000, -0.0035502600000000 ] - [ 0.0049469400000000, 0.0006564000000000, -0.0025793300000000 ] - [ 0.0049488000000000, -0.0003268400000000, -0.0026905700000000 ] - [ 0.0049453400000000, -0.0003273800000000, -0.0024685600000000 ] - [ 0.0069201100000000, 0.0058672000000000, -0.0006758800000000 ] - [ 0.0071891000000000, -0.0020890900000000, -0.0002156600000000 ] - [ 0.0066587100000000, -0.0020917000000000, -0.0011289500000000 ] - [ 0.0047194500000000, 0.0002149700000000, -0.0043339600000000 ] - [ 0.0047169300000000, -0.0001074700000000, -0.0043305600000000 ] - [ 0.0047222800000000, -0.0001077400000000, -0.0043379800000000 ] - [ 0.0052020200000000, 0.0006333500000000, -0.0039998300000000 ] - [ 0.0051747500000000, -0.0003143600000000, -0.0038534800000000 ] - [ 0.0052290700000000, -0.0003152400000000, -0.0041455800000000 ] - [ 0.0068812400000000, 0.0055849200000000, 0.0043636100000000 ] - [ 0.0065514500000000, -0.0020569300000000, 0.0048031600000000 ] - [ 0.0072001500000000, -0.0020608900000000, 0.0039301700000000 ] - [ 0.0004313700000000, -0.0009261300000000, 0.0001065000000000 ] - [ 0.0004146200000000, 0.0004686700000000, 0.0004623500000000 ] - [ 0.0004476800000000, 0.0004686900000000, -0.0002449600000000 ] - [ -0.0003030800000000, -0.0002068700000000, 0.0000888700000000 ] - [ -0.0002997800000000, 0.0001045000000000, 0.0001551900000000 ] - [ -0.0003045300000000, 0.0001034700000000, 0.0000220100000000 ] - [ -0.0003952700000000, -0.0002070400000000, -0.0001689100000000 ] - [ -0.0003949500000000, 0.0001035200000000, -0.0002320400000000 ] - [ -0.0003968500000000, 0.0001040600000000, -0.0001057100000000 ] - [ -0.0000350800000000, -0.0002017500000000, 0.0000481800000000 ] - [ -0.0000373700000000, 0.0001010500000000, 0.0001125000000000 ] - [ -0.0000337800000000, 0.0001013700000000, -0.0000160000000000 ] - [ -0.0005809200000000, -0.0002076400000000, 0.0000399800000000 ] - [ -0.0005829500000000, 0.0001050100000000, -0.0000238600000000 ] - [ -0.0005791200000000, 0.0001046600000000, 0.0001036900000000 ] - [ 0.0000902300000000, -0.0018319600000000, 0.0000370000000000 ] - [ 0.0000918300000000, 0.0008105300000000, -0.0006619600000000 ] - [ 0.0000889500000000, 0.0008094800000000, 0.0007186500000000 ] - [ -0.0006077800000000, -0.0009222700000000, -0.0001598500000000 ] - [ -0.0006111100000000, 0.0004674100000000, -0.0004992800000000 ] - [ -0.0006037800000000, 0.0004676200000000, 0.0001762100000000 ] - [ -0.0019854800000000, 0.0006341200000000, -0.0117700600000000 ] - [ -0.0094362800000000, 0.0033327000000000, -0.0033089700000000 ] - [ -0.0168329400000000, 0.0006526800000000, 0.0051162900000000 ] - [ -0.0173575500000000, 0.0002430500000000, 0.0143664600000000 ] - [ -0.0111818000000000, 0.0036042800000000, 0.0051861800000000 ] - [ -0.0050497300000000, 0.0002574200000000, -0.0039615900000000 ] - [ 0.0018012000000000, -0.0004360300000000, 0.0160969000000000 ] - [ -0.0034624000000000, 0.0034117000000000, 0.0084929200000000 ] - [ -0.0086946200000000, -0.0004167200000000, 0.0009081300000000 ] - [ -0.0059005400000000, -0.0002739400000000, 0.0059848200000000 ] - [ -0.0059679400000000, 0.0005500200000000, 0.0049160300000000 ] - [ -0.0060393700000000, -0.0002718700000000, 0.0038463200000000 ] - [ -0.0063925900000000, -0.0000877800000000, 0.0057614100000000 ] - [ -0.0063942400000000, 0.0001771500000000, 0.0057630300000000 ] - [ -0.0063981400000000, -0.0000865100000000, 0.0057691000000000 ] - [ -0.0075276300000000, -0.0000872100000000, 0.0047686800000000 ] - [ -0.0075229200000000, 0.0001789200000000, 0.0047749800000000 ] - [ -0.0075164400000000, -0.0000890200000000, 0.0047783900000000 ] - [ -0.0067709900000000, -0.0002677700000000, 0.0047036900000000 ] - [ -0.0067569100000000, 0.0005410100000000, 0.0036379900000000 ] - [ -0.0067402300000000, -0.0002692000000000, 0.0025731900000000 ] - [ -0.0069320800000000, -0.0002781200000000, 0.0034358400000000 ] - [ -0.0069555700000000, 0.0005543700000000, 0.0044802900000000 ] - [ -0.0069789600000000, -0.0002762800000000, 0.0055274100000000 ] - [ -0.0157134700000000, 0.0008332100000000, -0.0050738900000000 ] - [ -0.0087620300000000, 0.0030770500000000, 0.0025037300000000 ] - [ -0.0018645800000000, 0.0008442200000000, 0.0100392800000000 ] - [ -0.0070569300000000, -0.0002764200000000, 0.0041540300000000 ] - [ -0.0069998300000000, 0.0005556900000000, 0.0051540500000000 ] - [ -0.0069433400000000, -0.0002761900000000, 0.0061514600000000 ]- atom: 4 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0004671000000000, 0.0000000000000000, 0.0012944300000000 ] - [ -0.0005181500000000, 0.0003036800000000, 0.0002407000000000 ] - [ -0.0005181500000000, -0.0003036800000000, 0.0002407000000000 ] - [ 0.0019461100000000, 0.0000000000000000, -0.0148185400000000 ] - [ -0.0001124600000000, 0.0000535300000000, -0.0008378900000000 ] - [ -0.0001124600000000, -0.0000535300000000, -0.0008378900000000 ] - [ -0.0003059600000000, 0.0000000000000000, -0.0013609700000000 ] - [ -0.0001837100000000, 0.0000718600000000, -0.0003747600000000 ] - [ -0.0001837100000000, -0.0000718600000000, -0.0003747600000000 ] - [ 0.0044244100000000, 0.0000000000000000, -0.0042270600000000 ] - [ 0.0044780400000000, -0.0002843400000000, -0.0040614000000000 ] - [ 0.0044780400000000, 0.0002843400000000, -0.0040614000000000 ] - [ 0.0126427600000000, 0.0000000000000000, -0.0050809600000000 ] - [ 0.0099139300000000, -0.0015061000000000, -0.0031529100000000 ] - [ 0.0099139300000000, 0.0015061000000000, -0.0031529100000000 ] - [ -0.0016488000000000, 0.0000000000000000, -0.0086775600000000 ] - [ 0.0011462500000000, -0.0014481800000000, -0.0069064600000000 ] - [ 0.0011462500000000, 0.0014481800000000, -0.0069064600000000 ] - [ -0.0006488500000000, -0.0000374500000000, -0.0024866100000000 ] - [ -0.0006536700000000, 0.0000000000000000, -0.0022088000000000 ] - [ -0.0006488500000000, 0.0000374500000000, -0.0024866100000000 ] - [ 0.0019557400000000, -0.0000750100000000, -0.0001894100000000 ] - [ 0.0019572300000000, 0.0000000000000000, 0.0000343600000000 ] - [ 0.0019557400000000, 0.0000750100000000, -0.0001894100000000 ] - [ -0.0005694300000000, -0.0004111600000000, -0.0031571300000000 ] - [ -0.0002868700000000, 0.0000000000000000, -0.0021451100000000 ] - [ -0.0005694300000000, 0.0004111600000000, -0.0031571300000000 ] - [ 0.0019304200000000, -0.0000948400000000, -0.0004327900000000 ] - [ 0.0019396800000000, 0.0000000000000000, -0.0002028200000000 ] - [ 0.0019304200000000, 0.0000948400000000, -0.0004327900000000 ] - [ 0.0001135200000000, -0.0004246300000000, -0.0025516600000000 ] - [ -0.0001312800000000, 0.0000000000000000, -0.0014672800000000 ] - [ 0.0001135200000000, 0.0004246300000000, -0.0025516600000000 ] - [ 0.0022601500000000, 0.0000013900000000, -0.0005018800000000 ] - [ 0.0022641800000000, 0.0000000000000000, -0.0004329800000000 ] - [ 0.0022601500000000, -0.0000013900000000, -0.0005018800000000 ] - [ 0.0003246200000000, -0.0000354800000000, -0.0024130200000000 ] - [ 0.0003258500000000, 0.0000000000000000, -0.0021542800000000 ] - [ 0.0003246200000000, 0.0000354800000000, -0.0024130200000000 ] - [ -0.0008150200000000, 0.0004777100000000, -0.0030696500000000 ] - [ -0.0004966600000000, 0.0000000000000000, -0.0020090700000000 ] - [ -0.0008150200000000, -0.0004777100000000, -0.0030696500000000 ] - [ 0.0024881400000000, 0.0001812900000000, 0.0000125700000000 ] - [ 0.0024747200000000, 0.0000000000000000, 0.0002259200000000 ] - [ 0.0024881400000000, -0.0001812900000000, 0.0000125700000000 ] - [ -0.0004768200000000, 0.0000399400000000, -0.0022935400000000 ] - [ -0.0004716500000000, 0.0000000000000000, -0.0020354300000000 ] - [ -0.0004768200000000, -0.0000399400000000, -0.0022935400000000 ] - [ 0.0025803800000000, 0.0000008900000000, 0.0000437500000000 ] - [ 0.0025840100000000, 0.0000000000000000, 0.0001070700000000 ] - [ 0.0025803800000000, -0.0000008900000000, 0.0000437500000000 ] - [ 0.0001187600000000, 0.0000438700000000, -0.0027191100000000 ] - [ 0.0001222900000000, 0.0000000000000000, -0.0024226500000000 ] - [ 0.0001187600000000, -0.0000438700000000, -0.0027191100000000 ] - [ 0.0026554000000000, 0.0034819200000000, -0.0012528300000000 ] - [ 0.0030410000000000, 0.0000000000000000, -0.0000176800000000 ] - [ 0.0026554000000000, -0.0034819200000000, -0.0012528300000000 ] - [ 0.0000784900000000, 0.0004709300000000, -0.0020913800000000 ] - [ -0.0002560900000000, 0.0000000000000000, -0.0013428900000000 ] - [ 0.0000784900000000, -0.0004709300000000, -0.0020913800000000 ] - [ 0.0016678700000000, -0.0029891100000000, -0.0013979400000000 ] - [ 0.0014478200000000, 0.0000000000000000, 0.0000492700000000 ] - [ 0.0016678700000000, 0.0029891100000000, -0.0013979400000000 ] - [ 0.0000775300000000, -0.0001684500000000, 0.0060145100000000 ] - [ 0.0004006700000000, 0.0000000000000000, 0.0016653900000000 ] - [ 0.0000775300000000, 0.0001684500000000, 0.0060145100000000 ] - [ 0.0025509700000000, 0.0009133700000000, 0.0006546100000000 ] - [ 0.0023043500000000, 0.0000000000000000, 0.0001840000000000 ] - [ 0.0025509700000000, -0.0009133700000000, 0.0006546100000000 ] - [ 0.0000956100000000, -0.0002712100000000, 0.0046564600000000 ] - [ -0.0001497200000000, 0.0000000000000000, 0.0000876900000000 ] - [ 0.0000956100000000, 0.0002712100000000, 0.0046564600000000 ] - [ 0.0023604200000000, 0.0001050900000000, -0.0002531600000000 ] - [ 0.0023919400000000, 0.0000000000000000, -0.0000268600000000 ] - [ 0.0023604200000000, -0.0001050900000000, -0.0002531600000000 ] - [ 0.0023875800000000, -0.0008730200000000, 0.0007675400000000 ] - [ 0.0023827600000000, 0.0000000000000000, 0.0005402800000000 ] - [ 0.0023875800000000, 0.0008730200000000, 0.0007675400000000 ] - [ 0.0055260300000000, 0.0000000000000000, -0.0038892700000000 ] - [ 0.0055252900000000, -0.0000003900000000, -0.0038512100000000 ] - [ 0.0055252900000000, 0.0000003900000000, -0.0038512100000000 ] - [ 0.0045880200000000, 0.0000000000000000, -0.0039909900000000 ] - [ 0.0046117700000000, 0.0002896100000000, -0.0037544000000000 ] - [ 0.0046117700000000, -0.0002896100000000, -0.0037544000000000 ] - [ 0.0050005000000000, 0.0000000000000000, -0.0030977600000000 ] - [ 0.0049671000000000, -0.0002742400000000, -0.0029370700000000 ] - [ 0.0049671000000000, 0.0002742400000000, -0.0029370700000000 ] - [ 0.0045348800000000, 0.0000000000000000, -0.0006339700000000 ] - [ 0.0066200600000000, 0.0014092200000000, -0.0000926300000000 ] - [ 0.0066200600000000, -0.0014092200000000, -0.0000926300000000 ] - [ 0.0047205900000000, 0.0000000000000000, -0.0047470700000000 ] - [ 0.0047214300000000, -0.0000003200000000, -0.0047112000000000 ] - [ 0.0047214300000000, 0.0000003200000000, -0.0047112000000000 ] - [ 0.0052828000000000, 0.0000000000000000, -0.0045385700000000 ] - [ 0.0052322400000000, 0.0002605900000000, -0.0043123300000000 ] - [ 0.0052322400000000, -0.0002605900000000, -0.0043123300000000 ] - [ 0.0096987800000000, 0.0000000000000000, 0.0042005600000000 ] - [ 0.0071513600000000, 0.0012457800000000, 0.0048548000000000 ] - [ 0.0071513600000000, -0.0012457800000000, 0.0048548000000000 ] - [ 0.0003832100000000, 0.0000000000000000, 0.0012294100000000 ] - [ 0.0004271100000000, 0.0003380100000000, 0.0004111800000000 ] - [ 0.0004271100000000, -0.0003380100000000, 0.0004111800000000 ] - [ -0.0003029000000000, 0.0000000000000000, 0.0006426300000000 ] - [ -0.0003043000000000, 0.0000564900000000, 0.0005512300000000 ] - [ -0.0003043000000000, -0.0000564900000000, 0.0005512300000000 ] - [ -0.0004106800000000, 0.0000000000000000, 0.0004104700000000 ] - [ -0.0004087500000000, -0.0000583600000000, 0.0003164300000000 ] - [ -0.0004087500000000, 0.0000583600000000, 0.0003164300000000 ] - [ -0.0000293300000000, 0.0000000000000000, 0.0006211400000000 ] - [ -0.0000281500000000, 0.0000550400000000, 0.0005297600000000 ] - [ -0.0000281500000000, -0.0000550400000000, 0.0005297600000000 ] - [ -0.0005634600000000, 0.0000000000000000, 0.0006123500000000 ] - [ -0.0005667200000000, -0.0000581200000000, 0.0005156700000000 ] - [ -0.0005667200000000, 0.0000581200000000, 0.0005156700000000 ] - [ -0.0000116600000000, 0.0000000000000000, 0.0048546300000000 ] - [ 0.0000419100000000, -0.0006509400000000, 0.0005932500000000 ] - [ 0.0000419100000000, 0.0006509400000000, 0.0005932500000000 ] - [ -0.0005297500000000, 0.0000000000000000, 0.0008020600000000 ] - [ -0.0005505500000000, -0.0003235600000000, 0.0000464500000000 ] - [ -0.0005505500000000, 0.0003235600000000, 0.0000464500000000 ] - [ -0.0153590100000000, -0.0074035500000000, -0.0057500200000000 ] - [ -0.0093418400000000, 0.0000000000000000, -0.0050132500000000 ] - [ -0.0153590100000000, 0.0074035500000000, -0.0057500200000000 ] - [ -0.0173977400000000, 0.0079664900000000, 0.0049978900000000 ] - [ -0.0110464200000000, 0.0000000000000000, 0.0036719000000000 ] - [ -0.0173977400000000, -0.0079664900000000, 0.0049978900000000 ] - [ 0.0015448200000000, 0.0066203400000000, 0.0077222700000000 ] - [ -0.0035962600000000, 0.0000000000000000, 0.0070357400000000 ] - [ 0.0015448200000000, -0.0066203400000000, 0.0077222700000000 ] - [ -0.0058547400000000, 0.0002735700000000, 0.0065998100000000 ] - [ -0.0059047200000000, 0.0000000000000000, 0.0056848200000000 ] - [ -0.0058547400000000, -0.0002735700000000, 0.0065998100000000 ] - [ -0.0063566800000000, -0.0000018100000000, 0.0072126400000000 ] - [ -0.0063634200000000, 0.0000000000000000, 0.0069502400000000 ] - [ -0.0063566800000000, 0.0000018100000000, 0.0072126400000000 ] - [ -0.0074931200000000, 0.0000000200000000, 0.0062623500000000 ] - [ -0.0074974800000000, 0.0000000000000000, 0.0059820100000000 ] - [ -0.0074931200000000, -0.0000000200000000, 0.0062623500000000 ] - [ -0.0068069500000000, 0.0002692000000000, 0.0053652100000000 ] - [ -0.0067896400000000, 0.0000000000000000, 0.0044606400000000 ] - [ -0.0068069500000000, -0.0002692000000000, 0.0053652100000000 ] - [ -0.0068838100000000, -0.0003119400000000, 0.0061677200000000 ] - [ -0.0068707100000000, 0.0000000000000000, 0.0052541600000000 ] - [ -0.0068838100000000, 0.0003119400000000, 0.0061677200000000 ] - [ -0.0028682500000000, -0.0072599700000000, 0.0009367700000000 ] - [ -0.0088622400000000, 0.0000000000000000, 0.0010102600000000 ] - [ -0.0028682500000000, 0.0072599700000000, 0.0009367700000000 ] - [ -0.0070057200000000, -0.0002969900000000, 0.0066188500000000 ] - [ -0.0070321600000000, 0.0000000000000000, 0.0058503100000000 ] - [ -0.0070057200000000, 0.0002969900000000, 0.0066188500000000 ]- atom: 4 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0006025400000000, 0.0000000000000000, -0.0014119200000000 ] - [ -0.0005521200000000, -0.0003026200000000, -0.0003720400000000 ] - [ -0.0005521200000000, 0.0003026200000000, -0.0003720400000000 ] - [ -0.0021640900000000, 0.0000000000000000, 0.0151084200000000 ] - [ -0.0001527300000000, -0.0000591000000000, 0.0009520200000000 ] - [ -0.0001527300000000, 0.0000591000000000, 0.0009520200000000 ] - [ 0.0000033800000000, 0.0000000000000000, 0.0019792300000000 ] - [ -0.0001264400000000, -0.0000738300000000, 0.0009935600000000 ] - [ -0.0001264400000000, 0.0000738300000000, 0.0009935600000000 ] - [ 0.0045499500000000, 0.0000000000000000, -0.0031726700000000 ] - [ 0.0044971600000000, 0.0002857200000000, -0.0033377200000000 ] - [ 0.0044971600000000, -0.0002857200000000, -0.0033377200000000 ] - [ 0.0066404400000000, 0.0000000000000000, -0.0017899200000000 ] - [ 0.0093606000000000, 0.0015055400000000, -0.0037321200000000 ] - [ 0.0093606000000000, -0.0015055400000000, -0.0037321200000000 ] - [ 0.0043920000000000, 0.0000000000000000, -0.0057398500000000 ] - [ 0.0016100500000000, 0.0014472500000000, -0.0075194800000000 ] - [ 0.0016100500000000, -0.0014472500000000, -0.0075194800000000 ] - [ -0.0006449300000000, 0.0000372400000000, -0.0001164300000000 ] - [ -0.0006398400000000, 0.0000000000000000, -0.0003944800000000 ] - [ -0.0006449300000000, -0.0000372400000000, -0.0001164300000000 ] - [ 0.0019859100000000, 0.0000746200000000, 0.0007019800000000 ] - [ 0.0019795600000000, 0.0000000000000000, 0.0004789900000000 ] - [ 0.0019859100000000, -0.0000746200000000, 0.0007019800000000 ] - [ -0.0000700800000000, 0.0004102800000000, -0.0007941000000000 ] - [ -0.0003506000000000, 0.0000000000000000, -0.0018081500000000 ] - [ -0.0000700800000000, -0.0004102800000000, -0.0007941000000000 ] - [ 0.0019630400000000, 0.0000944900000000, 0.0005434400000000 ] - [ 0.0019560700000000, 0.0000000000000000, 0.0003136200000000 ] - [ 0.0019630400000000, -0.0000944900000000, 0.0005434400000000 ] - [ -0.0002124800000000, 0.0004233000000000, -0.0000997300000000 ] - [ 0.0000316600000000, 0.0000000000000000, -0.0011833400000000 ] - [ -0.0002124800000000, -0.0004233000000000, -0.0000997300000000 ] - [ 0.0022975900000000, -0.0000015400000000, 0.0003176700000000 ] - [ 0.0022950700000000, 0.0000000000000000, 0.0002486600000000 ] - [ 0.0022975900000000, 0.0000015400000000, 0.0003176700000000 ] - [ 0.0003624200000000, 0.0000354300000000, -0.0000531400000000 ] - [ 0.0003612500000000, 0.0000000000000000, -0.0003131100000000 ] - [ 0.0003624200000000, -0.0000354300000000, -0.0000531400000000 ] - [ -0.0001932800000000, -0.0004777100000000, -0.0008266000000000 ] - [ -0.0005139000000000, 0.0000000000000000, -0.0018843200000000 ] - [ -0.0001932800000000, 0.0004777100000000, -0.0008266000000000 ] - [ 0.0024755000000000, -0.0001827900000000, 0.0010672200000000 ] - [ 0.0024892800000000, 0.0000000000000000, 0.0008528500000000 ] - [ 0.0024755000000000, 0.0001827900000000, 0.0010672200000000 ] - [ -0.0004792300000000, -0.0000400800000000, -0.0000203000000000 ] - [ -0.0004838200000000, 0.0000000000000000, -0.0002795400000000 ] - [ -0.0004792300000000, 0.0000400800000000, -0.0000203000000000 ] - [ 0.0026316400000000, -0.0000009200000000, 0.0008399200000000 ] - [ 0.0026256500000000, 0.0000000000000000, 0.0007764600000000 ] - [ 0.0026316400000000, 0.0000009200000000, 0.0008399200000000 ] - [ 0.0001450200000000, -0.0000439600000000, -0.0003017500000000 ] - [ 0.0001413800000000, 0.0000000000000000, -0.0005969200000000 ] - [ 0.0001450200000000, 0.0000439600000000, -0.0003017500000000 ] - [ 0.0032165300000000, -0.0034847300000000, 0.0005213600000000 ] - [ 0.0028298300000000, 0.0000000000000000, -0.0006836800000000 ] - [ 0.0032165300000000, 0.0034847300000000, 0.0005213600000000 ] - [ -0.0006444600000000, -0.0004712600000000, -0.0007456200000000 ] - [ -0.0003074700000000, 0.0000000000000000, -0.0014890900000000 ] - [ -0.0006444600000000, 0.0004712600000000, -0.0007456200000000 ] - [ 0.0011652100000000, 0.0029643900000000, 0.0010340100000000 ] - [ 0.0013829200000000, 0.0000000000000000, -0.0004129200000000 ] - [ 0.0011652100000000, -0.0029643900000000, 0.0010340100000000 ] - [ 0.0007710200000000, 0.0001749700000000, -0.0069165100000000 ] - [ 0.0004367200000000, 0.0000000000000000, -0.0025731100000000 ] - [ 0.0007710200000000, -0.0001749700000000, -0.0069165100000000 ] - [ 0.0021470900000000, -0.0009150300000000, -0.0009899000000000 ] - [ 0.0023936300000000, 0.0000000000000000, -0.0005157800000000 ] - [ 0.0021470900000000, 0.0009150300000000, -0.0009899000000000 ] - [ -0.0003527600000000, 0.0002750800000000, -0.0087667100000000 ] - [ -0.0001011800000000, 0.0000000000000000, -0.0042105100000000 ] - [ -0.0003527600000000, -0.0002750800000000, -0.0087667100000000 ] - [ 0.0025014600000000, -0.0001051400000000, 0.0006244000000000 ] - [ 0.0024687000000000, 0.0000000000000000, 0.0003983500000000 ] - [ 0.0025014600000000, 0.0001051400000000, 0.0006244000000000 ] - [ 0.0024387200000000, 0.0008686200000000, -0.0002382200000000 ] - [ 0.0024438700000000, 0.0000000000000000, -0.0000164200000000 ] - [ 0.0024387200000000, -0.0008686200000000, -0.0002382200000000 ] - [ 0.0055282700000000, 0.0000000000000000, -0.0030462900000000 ] - [ 0.0055291100000000, -0.0000002300000000, -0.0030839000000000 ] - [ 0.0055291100000000, 0.0000002300000000, -0.0030839000000000 ] - [ 0.0047135000000000, 0.0000000000000000, -0.0028220600000000 ] - [ 0.0046884300000000, -0.0002898600000000, -0.0030594800000000 ] - [ 0.0046884300000000, 0.0002898600000000, -0.0030594800000000 ] - [ 0.0048930900000000, 0.0000000000000000, -0.0020620500000000 ] - [ 0.0049265500000000, 0.0002738800000000, -0.0022222000000000 ] - [ 0.0049265500000000, -0.0002738800000000, -0.0022222000000000 ] - [ 0.0092582700000000, 0.0000000000000000, -0.0007893400000000 ] - [ 0.0072271600000000, -0.0014097800000000, -0.0012545300000000 ] - [ 0.0072271600000000, 0.0014097800000000, -0.0012545300000000 ] - [ 0.0047184300000000, 0.0000000000000000, -0.0039209200000000 ] - [ 0.0047178400000000, 0.0000005800000000, -0.0039574600000000 ] - [ 0.0047178400000000, -0.0000005800000000, -0.0039574600000000 ] - [ 0.0051197700000000, 0.0000000000000000, -0.0034597100000000 ] - [ 0.0051718200000000, -0.0002603800000000, -0.0036868600000000 ] - [ 0.0051718200000000, 0.0002603800000000, -0.0036868600000000 ] - [ 0.0040860900000000, 0.0000000000000000, 0.0044769500000000 ] - [ 0.0066008900000000, -0.0012444800000000, 0.0038755100000000 ] - [ 0.0066008900000000, 0.0012444800000000, 0.0038755100000000 ] - [ 0.0004803300000000, 0.0000000000000000, -0.0010121800000000 ] - [ 0.0004355500000000, -0.0003377000000000, -0.0001954200000000 ] - [ 0.0004355500000000, 0.0003377000000000, -0.0001954200000000 ] - [ -0.0003036400000000, 0.0000000000000000, -0.0004637200000000 ] - [ -0.0003004600000000, -0.0000554300000000, -0.0003732300000000 ] - [ -0.0003004600000000, 0.0000554300000000, -0.0003732300000000 ] - [ -0.0003800500000000, 0.0000000000000000, -0.0007485400000000 ] - [ -0.0003830300000000, 0.0000580600000000, -0.0006542200000000 ] - [ -0.0003830300000000, -0.0000580600000000, -0.0006542200000000 ] - [ -0.0000416600000000, 0.0000000000000000, -0.0005236200000000 ] - [ -0.0000436900000000, -0.0000552700000000, -0.0004323000000000 ] - [ -0.0000436900000000, 0.0000552700000000, -0.0004323000000000 ] - [ -0.0005994600000000, 0.0000000000000000, -0.0005331400000000 ] - [ -0.0005957200000000, 0.0000584100000000, -0.0004358300000000 ] - [ -0.0005957200000000, -0.0000584100000000, -0.0004358300000000 ] - [ 0.0001933600000000, 0.0000000000000000, -0.0048600900000000 ] - [ 0.0001388000000000, 0.0006520900000000, -0.0005353700000000 ] - [ 0.0001388000000000, -0.0006520900000000, -0.0005353700000000 ] - [ -0.0006855500000000, 0.0000000000000000, -0.0011243200000000 ] - [ -0.0006642200000000, 0.0003234400000000, -0.0003693100000000 ] - [ -0.0006642200000000, -0.0003234400000000, -0.0003693100000000 ] - [ -0.0034790800000000, 0.0074285100000000, -0.0008301900000000 ] - [ -0.0095313700000000, 0.0000000000000000, -0.0016023500000000 ] - [ -0.0034790800000000, -0.0074285100000000, -0.0008301900000000 ] - [ -0.0050209600000000, -0.0079135100000000, 0.0053447600000000 ] - [ -0.0113158700000000, 0.0000000000000000, 0.0066966500000000 ] - [ -0.0050209600000000, 0.0079135100000000, 0.0053447600000000 ] - [ -0.0084301900000000, -0.0065808400000000, 0.0092305300000000 ] - [ -0.0033294400000000, 0.0000000000000000, 0.0099464300000000 ] - [ -0.0084301900000000, 0.0065808400000000, 0.0092305300000000 ] - [ -0.0060848500000000, -0.0002744800000000, 0.0032316700000000 ] - [ -0.0060293900000000, 0.0000000000000000, 0.0041467900000000 ] - [ -0.0060848500000000, 0.0002744800000000, 0.0032316700000000 ] - [ -0.0064345100000000, 0.0000002500000000, 0.0043194100000000 ] - [ -0.0064250500000000, 0.0000000000000000, 0.0045764500000000 ] - [ -0.0064345100000000, -0.0000002500000000, 0.0043194100000000 ] - [ -0.0075507800000000, 0.0000020000000000, 0.0032849700000000 ] - [ -0.0075480300000000, 0.0000000000000000, 0.0035691500000000 ] - [ -0.0075507800000000, -0.0000020000000000, 0.0032849700000000 ] - [ -0.0067051100000000, -0.0002657000000000, 0.0019119800000000 ] - [ -0.0067250100000000, 0.0000000000000000, 0.0028145100000000 ] - [ -0.0067051100000000, 0.0002657000000000, 0.0019119800000000 ] - [ -0.0070280700000000, 0.0003118300000000, 0.0027963800000000 ] - [ -0.0070404000000000, 0.0000000000000000, 0.0037069400000000 ] - [ -0.0070280700000000, -0.0003118300000000, 0.0027963800000000 ] - [ -0.0146963800000000, 0.0072927100000000, 0.0040922900000000 ] - [ -0.0086606000000000, 0.0000000000000000, 0.0039989400000000 ] - [ -0.0146963800000000, -0.0072927100000000, 0.0040922900000000 ] - [ -0.0069930600000000, 0.0002983300000000, 0.0036861500000000 ] - [ -0.0069664300000000, 0.0000000000000000, 0.0044575600000000 ] - [ -0.0069930600000000, -0.0002983300000000, 0.0036861500000000 ]- atom: 7 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0000650000000000, 0.0000000000000000, -0.0000649000000000 ] - [ -0.0003949200000000, 0.0000140400000000, -0.0000544900000000 ] - [ -0.0003949200000000, -0.0000140400000000, -0.0000544900000000 ] - [ 0.0042234600000000, 0.0000000000000000, -0.0000949800000000 ] - [ 0.0004435200000000, 0.0000471300000000, 0.0000294600000000 ] - [ 0.0004435200000000, -0.0000471300000000, 0.0000294600000000 ] - [ -0.0159762900000000, 0.0000000000000000, -0.0013975100000000 ] - [ -0.0007370800000000, -0.0000619100000000, 0.0002653400000000 ] - [ -0.0007370800000000, 0.0000619100000000, 0.0002653400000000 ] - [ 0.0045271200000000, 0.0000000000000000, -0.0038475000000000 ] - [ 0.0045084600000000, -0.0001043800000000, -0.0038189600000000 ] - [ 0.0045084600000000, 0.0001043800000000, -0.0038189600000000 ] - [ 0.0100533900000000, 0.0000000000000000, -0.0056410500000000 ] - [ 0.0101013800000000, -0.0012189200000000, -0.0039691400000000 ] - [ 0.0101013800000000, 0.0012189200000000, -0.0039691400000000 ] - [ -0.0004441500000000, 0.0000000000000000, -0.0042795900000000 ] - [ 0.0013635000000000, 0.0010188500000000, -0.0068262600000000 ] - [ 0.0013635000000000, -0.0010188500000000, -0.0068262600000000 ] - [ -0.0006204500000000, -0.0000139000000000, -0.0014351300000000 ] - [ -0.0006376700000000, 0.0000000000000000, -0.0013929400000000 ] - [ -0.0006204500000000, 0.0000139000000000, -0.0014351300000000 ] - [ 0.0016978300000000, -0.0000018900000000, 0.0002409800000000 ] - [ 0.0018241900000000, 0.0000000000000000, 0.0002474600000000 ] - [ 0.0016978300000000, 0.0000018900000000, 0.0002409800000000 ] - [ -0.0002536200000000, 0.0003637400000000, -0.0007815200000000 ] - [ -0.0002800900000000, 0.0000000000000000, -0.0016810700000000 ] - [ -0.0002536200000000, -0.0003637400000000, -0.0007815200000000 ] - [ 0.0021899300000000, 0.0000003900000000, 0.0000693000000000 ] - [ 0.0020707500000000, 0.0000000000000000, 0.0000626800000000 ] - [ 0.0021899300000000, -0.0000003900000000, 0.0000693000000000 ] - [ 0.0003436500000000, -0.0004579100000000, -0.0026400200000000 ] - [ 0.0000230600000000, 0.0000000000000000, -0.0016685100000000 ] - [ 0.0003436500000000, 0.0004579100000000, -0.0026400200000000 ] - [ 0.0022215300000000, 0.0000000100000000, -0.0001037100000000 ] - [ 0.0022315100000000, 0.0000000000000000, -0.0001008900000000 ] - [ 0.0022215300000000, -0.0000000100000000, -0.0001037100000000 ] - [ 0.0003175700000000, 0.0000104500000000, -0.0011429300000000 ] - [ 0.0003291600000000, 0.0000000000000000, -0.0011846900000000 ] - [ 0.0003175700000000, -0.0000104500000000, -0.0011429300000000 ] - [ -0.0002085900000000, -0.0004683900000000, -0.0007761000000000 ] - [ -0.0004487100000000, 0.0000000000000000, -0.0016309400000000 ] - [ -0.0002085900000000, 0.0004683900000000, -0.0007761000000000 ] - [ 0.0022515100000000, 0.0000025900000000, 0.0005226100000000 ] - [ 0.0023578100000000, 0.0000000000000000, 0.0005399400000000 ] - [ 0.0022515100000000, -0.0000025900000000, 0.0005226100000000 ] - [ -0.0004974200000000, 0.0000116400000000, -0.0013189200000000 ] - [ -0.0004877200000000, 0.0000000000000000, -0.0012519200000000 ] - [ -0.0004974200000000, -0.0000116400000000, -0.0013189200000000 ] - [ 0.0026593000000000, 0.0000007500000000, 0.0004336700000000 ] - [ 0.0026484700000000, 0.0000000000000000, 0.0004349300000000 ] - [ 0.0026593000000000, -0.0000007500000000, 0.0004336700000000 ] - [ 0.0001580900000000, -0.0000104100000000, -0.0014069800000000 ] - [ 0.0001421000000000, 0.0000000000000000, -0.0014493400000000 ] - [ 0.0001580900000000, 0.0000104100000000, -0.0014069800000000 ] - [ 0.0004332100000000, 0.0000126400000000, -0.0002614400000000 ] - [ 0.0024359400000000, 0.0000000000000000, -0.0003404300000000 ] - [ 0.0004332100000000, -0.0000126400000000, -0.0002614400000000 ] - [ -0.0003690800000000, 0.0004367700000000, -0.0026717300000000 ] - [ -0.0002854500000000, 0.0000000000000000, -0.0016921100000000 ] - [ -0.0003690800000000, -0.0004367700000000, -0.0026717300000000 ] - [ -0.0012718400000000, -0.0000316000000000, -0.0003200100000000 ] - [ 0.0008869400000000, 0.0000000000000000, -0.0001895500000000 ] - [ -0.0012718400000000, 0.0000316000000000, -0.0003200100000000 ] - [ -0.0014503300000000, 0.0025133000000000, -0.0000931800000000 ] - [ 0.0003568400000000, 0.0000000000000000, -0.0004090900000000 ] - [ -0.0014503300000000, -0.0025133000000000, -0.0000931800000000 ] - [ 0.0058929900000000, 0.0004680300000000, -0.0007197600000000 ] - [ 0.0028052700000000, 0.0000000000000000, -0.0001611300000000 ] - [ 0.0058929900000000, -0.0004680300000000, -0.0007197600000000 ] - [ -0.0009628300000000, -0.0033317900000000, -0.0029699400000000 ] - [ -0.0001371300000000, 0.0000000000000000, -0.0019849600000000 ] - [ -0.0009628300000000, 0.0033317900000000, -0.0029699400000000 ] - [ 0.0026721200000000, 0.0000056400000000, 0.0001546700000000 ] - [ 0.0025538700000000, 0.0000000000000000, 0.0001651300000000 ] - [ 0.0026721200000000, -0.0000056400000000, 0.0001546700000000 ] - [ 0.0061649200000000, 0.0004407900000000, 0.0008561200000000 ] - [ 0.0029540500000000, 0.0000000000000000, 0.0002699000000000 ] - [ 0.0061649200000000, -0.0004407900000000, 0.0008561200000000 ] - [ 0.0055317100000000, 0.0000000000000000, -0.0034744200000000 ] - [ 0.0055313600000000, -0.0000033100000000, -0.0034729500000000 ] - [ 0.0055313600000000, 0.0000033100000000, -0.0034729500000000 ] - [ 0.0046565700000000, 0.0000000000000000, -0.0033173000000000 ] - [ 0.0046594400000000, -0.0000908100000000, -0.0032948300000000 ] - [ 0.0046594400000000, 0.0000908100000000, -0.0032948300000000 ] - [ 0.0049470800000000, 0.0000000000000000, -0.0024503600000000 ] - [ 0.0049305000000000, 0.0000887100000000, -0.0024753000000000 ] - [ 0.0049305000000000, -0.0000887100000000, -0.0024753000000000 ] - [ 0.0081695000000000, 0.0000000000000000, 0.0007865200000000 ] - [ 0.0072223600000000, -0.0009249800000000, -0.0001908700000000 ] - [ 0.0072223600000000, 0.0009249800000000, -0.0001908700000000 ] - [ 0.0047170500000000, 0.0000000000000000, -0.0043463400000000 ] - [ 0.0047170100000000, 0.0000057700000000, -0.0043456500000000 ] - [ 0.0047170100000000, -0.0000057700000000, -0.0043456500000000 ] - [ 0.0051713300000000, 0.0000000000000000, -0.0041329800000000 ] - [ 0.0051751800000000, 0.0001048800000000, -0.0041261900000000 ] - [ 0.0051751800000000, -0.0001048800000000, -0.0041261900000000 ] - [ 0.0044920700000000, 0.0000000000000000, 0.0011014900000000 ] - [ 0.0067166600000000, 0.0010810400000000, 0.0039767000000000 ] - [ 0.0067166600000000, -0.0010810400000000, 0.0039767000000000 ] - [ -0.0007838100000000, 0.0000000000000000, -0.0001357300000000 ] - [ 0.0000515600000000, -0.0000781800000000, 0.0000289500000000 ] - [ 0.0000515600000000, 0.0000781800000000, 0.0000289500000000 ] - [ -0.0002266900000000, 0.0000000000000000, 0.0001111900000000 ] - [ -0.0002382600000000, 0.0000040500000000, 0.0001068400000000 ] - [ -0.0002382600000000, -0.0000040500000000, 0.0001068400000000 ] - [ -0.0003246700000000, 0.0000000000000000, -0.0001564100000000 ] - [ -0.0003319500000000, -0.0000018000000000, -0.0001595200000000 ] - [ -0.0003319500000000, 0.0000018000000000, -0.0001595200000000 ] - [ -0.0001083900000000, 0.0000000000000000, 0.0000561000000000 ] - [ -0.0000973900000000, -0.0000022400000000, 0.0000539300000000 ] - [ -0.0000973900000000, 0.0000022400000000, 0.0000539300000000 ] - [ -0.0006501100000000, 0.0000000000000000, 0.0000590000000000 ] - [ -0.0006436400000000, -0.0000037200000000, 0.0000562500000000 ] - [ -0.0006436400000000, 0.0000037200000000, 0.0000562500000000 ] - [ 0.0011694800000000, 0.0000000000000000, 0.0000362900000000 ] - [ 0.0004043900000000, 0.0000034600000000, 0.0000154900000000 ] - [ 0.0004043900000000, -0.0000034600000000, 0.0000154900000000 ] - [ -0.0019519800000000, 0.0000000000000000, 0.0002725900000000 ] - [ -0.0009853500000000, -0.0001294700000000, -0.0000248300000000 ] - [ -0.0009853500000000, 0.0001294700000000, -0.0000248300000000 ] - [ -0.0061499800000000, -0.0070631000000000, 0.0028831200000000 ] - [ -0.0093823300000000, 0.0000000000000000, -0.0031193600000000 ] - [ -0.0061499800000000, 0.0070631000000000, 0.0028831200000000 ] - [ -0.0107523700000000, 0.0074643400000000, 0.0134880600000000 ] - [ -0.0112125100000000, 0.0000000000000000, 0.0053624500000000 ] - [ -0.0107523700000000, -0.0074643400000000, 0.0134880600000000 ] - [ -0.0011621300000000, -0.0056419000000000, 0.0027295300000000 ] - [ -0.0034546200000000, 0.0000000000000000, 0.0082348300000000 ] - [ -0.0011621300000000, 0.0056419000000000, 0.0027295300000000 ] - [ -0.0058605400000000, 0.0000554500000000, 0.0055973700000000 ] - [ -0.0059185800000000, 0.0000000000000000, 0.0051522900000000 ] - [ -0.0058605400000000, -0.0000554500000000, 0.0055973700000000 ] - [ -0.0063916400000000, -0.0000039600000000, 0.0058029300000000 ] - [ -0.0063936000000000, 0.0000000000000000, 0.0057909900000000 ] - [ -0.0063916400000000, 0.0000039600000000, 0.0058029300000000 ] - [ -0.0075197900000000, 0.0000035200000000, 0.0048062100000000 ] - [ -0.0075197300000000, 0.0000000000000000, 0.0048001400000000 ] - [ -0.0075197900000000, -0.0000035200000000, 0.0048062100000000 ] - [ -0.0066877300000000, -0.0000428400000000, 0.0030213900000000 ] - [ -0.0067249100000000, 0.0000000000000000, 0.0034451700000000 ] - [ -0.0066877300000000, 0.0000428400000000, 0.0030213900000000 ] - [ -0.0069345300000000, 0.0000159900000000, 0.0039048200000000 ] - [ -0.0069534300000000, 0.0000000000000000, 0.0042812500000000 ] - [ -0.0069345300000000, -0.0000159900000000, 0.0039048200000000 ] - [ -0.0079154900000000, 0.0068316400000000, -0.0040793000000000 ] - [ -0.0087612100000000, 0.0000000000000000, 0.0022317300000000 ] - [ -0.0079154900000000, -0.0068316400000000, -0.0040793000000000 ] - [ -0.0069740600000000, -0.0000407000000000, 0.0058301500000000 ] - [ -0.0069838700000000, 0.0000000000000000, 0.0053654600000000 ] - [ -0.0069740600000000, 0.0000407000000000, 0.0058301500000000 ]- atom: 7 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0010064800000000, 0.0000000000000000, -0.0000646100000000 ] - [ -0.0006754300000000, -0.0000139500000000, -0.0000765400000000 ] - [ -0.0006754300000000, 0.0000139500000000, -0.0000765400000000 ] - [ -0.0044570800000000, 0.0000000000000000, 0.0002066500000000 ] - [ -0.0007085300000000, -0.0000454300000000, 0.0000864900000000 ] - [ -0.0007085300000000, 0.0000454300000000, 0.0000864900000000 ] - [ 0.0154285100000000, 0.0000000000000000, 0.0020512600000000 ] - [ 0.0004242400000000, 0.0000566700000000, 0.0003568400000000 ] - [ 0.0004242400000000, -0.0000566700000000, 0.0003568400000000 ] - [ 0.0044470900000000, 0.0000000000000000, -0.0035515000000000 ] - [ 0.0044664900000000, 0.0001063900000000, -0.0035801100000000 ] - [ 0.0044664900000000, -0.0001063900000000, -0.0035801100000000 ] - [ 0.0092814200000000, 0.0000000000000000, -0.0012009700000000 ] - [ 0.0091740800000000, 0.0012172500000000, -0.0029210900000000 ] - [ 0.0091740800000000, -0.0012172500000000, -0.0029210900000000 ] - [ 0.0031959100000000, 0.0000000000000000, -0.0101689400000000 ] - [ 0.0013913500000000, -0.0010198900000000, -0.0076053300000000 ] - [ 0.0013913500000000, 0.0010198900000000, -0.0076053300000000 ] - [ -0.0006731300000000, 0.0000138500000000, -0.0011672600000000 ] - [ -0.0006556700000000, 0.0000000000000000, -0.0012102100000000 ] - [ -0.0006731300000000, -0.0000138500000000, -0.0011672600000000 ] - [ 0.0022441900000000, 0.0000018700000000, 0.0002726500000000 ] - [ 0.0021130400000000, 0.0000000000000000, 0.0002661000000000 ] - [ 0.0022441900000000, -0.0000018700000000, 0.0002726500000000 ] - [ -0.0003872600000000, -0.0003662000000000, -0.0031750100000000 ] - [ -0.0003575500000000, 0.0000000000000000, -0.0022748600000000 ] - [ -0.0003872600000000, 0.0003662000000000, -0.0031750100000000 ] - [ 0.0017029300000000, -0.0000008700000000, 0.0000415800000000 ] - [ 0.0018238300000000, 0.0000000000000000, 0.0000484500000000 ] - [ 0.0017029300000000, 0.0000008700000000, 0.0000415800000000 ] - [ -0.0004415700000000, 0.0004572900000000, -0.0000161000000000 ] - [ -0.0001222200000000, 0.0000000000000000, -0.0009846600000000 ] - [ -0.0004415700000000, -0.0004572900000000, -0.0000161000000000 ] - [ 0.0023363400000000, -0.0000001200000000, -0.0000804200000000 ] - [ 0.0023277900000000, 0.0000000000000000, -0.0000832500000000 ] - [ 0.0023363400000000, 0.0000001200000000, -0.0000804200000000 ] - [ 0.0003697200000000, -0.0000103800000000, -0.0013235000000000 ] - [ 0.0003582200000000, 0.0000000000000000, -0.0012827900000000 ] - [ 0.0003697200000000, 0.0000103800000000, -0.0013235000000000 ] - [ -0.0007999000000000, 0.0004684600000000, -0.0031144800000000 ] - [ -0.0005613400000000, 0.0000000000000000, -0.0022600500000000 ] - [ -0.0007999000000000, -0.0004684600000000, -0.0031144800000000 ] - [ 0.0027120500000000, -0.0000024300000000, 0.0005560100000000 ] - [ 0.0026064700000000, 0.0000000000000000, 0.0005391800000000 ] - [ 0.0027120500000000, 0.0000024300000000, 0.0005560100000000 ] - [ -0.0004584000000000, -0.0000117300000000, -0.0009941100000000 ] - [ -0.0004676400000000, 0.0000000000000000, -0.0010623500000000 ] - [ -0.0004584000000000, 0.0000117300000000, -0.0009941100000000 ] - [ 0.0025524600000000, -0.0000007200000000, 0.0004501600000000 ] - [ 0.0025609600000000, 0.0000000000000000, 0.0004486800000000 ] - [ 0.0025524600000000, 0.0000007200000000, 0.0004501600000000 ] - [ 0.0001058300000000, 0.0000104500000000, -0.0016135700000000 ] - [ 0.0001215800000000, 0.0000000000000000, -0.0015698800000000 ] - [ 0.0001058300000000, -0.0000104500000000, -0.0016135700000000 ] - [ 0.0054408300000000, -0.0000138400000000, -0.0004361500000000 ] - [ 0.0034352400000000, 0.0000000000000000, -0.0003603600000000 ] - [ 0.0054408300000000, 0.0000138400000000, -0.0004361500000000 ] - [ -0.0001975300000000, -0.0004395300000000, -0.0001573500000000 ] - [ -0.0002781400000000, 0.0000000000000000, -0.0011372600000000 ] - [ -0.0001975300000000, 0.0004395300000000, -0.0001573500000000 ] - [ 0.0041064100000000, 0.0000304200000000, -0.0000460400000000 ] - [ 0.0019439300000000, 0.0000000000000000, -0.0001745600000000 ] - [ 0.0041064100000000, -0.0000304200000000, -0.0000460400000000 ] - [ 0.0022923500000000, -0.0025400000000000, -0.0008161200000000 ] - [ 0.0004805900000000, 0.0000000000000000, -0.0004991100000000 ] - [ 0.0022923500000000, 0.0025400000000000, -0.0008161200000000 ] - [ -0.0012148000000000, -0.0004605200000000, 0.0003776600000000 ] - [ 0.0018925100000000, 0.0000000000000000, -0.0001704900000000 ] - [ -0.0012148000000000, 0.0004605200000000, 0.0003776600000000 ] - [ 0.0007584800000000, 0.0033409000000000, -0.0011539500000000 ] - [ -0.0001133800000000, 0.0000000000000000, -0.0021376700000000 ] - [ 0.0007584800000000, -0.0033409000000000, -0.0011539500000000 ] - [ 0.0021893900000000, -0.0000054900000000, 0.0002166400000000 ] - [ 0.0023065100000000, 0.0000000000000000, 0.0002066100000000 ] - [ 0.0021893900000000, 0.0000054900000000, 0.0002166400000000 ] - [ -0.0013536200000000, -0.0004296400000000, -0.0003177700000000 ] - [ 0.0018728800000000, 0.0000000000000000, 0.0002539700000000 ] - [ -0.0013536200000000, 0.0004296400000000, -0.0003177700000000 ] - [ 0.0055228600000000, 0.0000000000000000, -0.0034610100000000 ] - [ 0.0055228700000000, 0.0000029700000000, -0.0034621700000000 ] - [ 0.0055228700000000, -0.0000029700000000, -0.0034621700000000 ] - [ 0.0046436300000000, 0.0000000000000000, -0.0034962900000000 ] - [ 0.0046408700000000, 0.0000910300000000, -0.0035184700000000 ] - [ 0.0046408700000000, -0.0000910300000000, -0.0035184700000000 ] - [ 0.0049469300000000, 0.0000000000000000, -0.0027091000000000 ] - [ 0.0049634300000000, -0.0000889000000000, -0.0026842500000000 ] - [ 0.0049634300000000, 0.0000889000000000, -0.0026842500000000 ] - [ 0.0057824800000000, 0.0000000000000000, -0.0022306500000000 ] - [ 0.0066259000000000, 0.0009243400000000, -0.0011521500000000 ] - [ 0.0066259000000000, -0.0009243400000000, -0.0011521500000000 ] - [ 0.0047220200000000, 0.0000000000000000, -0.0043214400000000 ] - [ 0.0047223100000000, -0.0000053100000000, -0.0043228000000000 ] - [ 0.0047223100000000, 0.0000053100000000, -0.0043228000000000 ] - [ 0.0052332800000000, 0.0000000000000000, -0.0038655800000000 ] - [ 0.0052291600000000, -0.0001045700000000, -0.0038721300000000 ] - [ 0.0052291600000000, 0.0001045700000000, -0.0038721300000000 ] - [ 0.0092515500000000, 0.0000000000000000, 0.0076490800000000 ] - [ 0.0070345400000000, -0.0010809800000000, 0.0047591300000000 ] - [ 0.0070345400000000, 0.0010809800000000, 0.0047591300000000 ] - [ 0.0016491400000000, 0.0000000000000000, 0.0003433300000000 ] - [ 0.0008106500000000, 0.0000766800000000, 0.0001855300000000 ] - [ 0.0008106500000000, -0.0000766800000000, 0.0001855300000000 ] - [ -0.0003795800000000, 0.0000000000000000, 0.0000679800000000 ] - [ -0.0003666200000000, -0.0000031400000000, 0.0000714500000000 ] - [ -0.0003666200000000, 0.0000031400000000, 0.0000714500000000 ] - [ -0.0004665500000000, 0.0000000000000000, -0.0001807800000000 ] - [ -0.0004600300000000, 0.0000013100000000, -0.0001783200000000 ] - [ -0.0004600300000000, -0.0000013100000000, -0.0001783200000000 ] - [ 0.0000380300000000, 0.0000000000000000, 0.0000422300000000 ] - [ 0.0000255100000000, 0.0000018600000000, 0.0000439200000000 ] - [ 0.0000255100000000, -0.0000018600000000, 0.0000439200000000 ] - [ -0.0005122300000000, 0.0000000000000000, 0.0000212400000000 ] - [ -0.0005185200000000, 0.0000038400000000, 0.0000235200000000 ] - [ -0.0005185200000000, -0.0000038400000000, 0.0000235200000000 ] - [ -0.0009919600000000, 0.0000000000000000, 0.0000204100000000 ] - [ -0.0002236400000000, -0.0000034200000000, 0.0000424000000000 ] - [ -0.0002236400000000, 0.0000034200000000, 0.0000424000000000 ] - [ 0.0007394700000000, 0.0000000000000000, -0.0005839700000000 ] - [ -0.0002296600000000, 0.0001274400000000, -0.0002970000000000 ] - [ -0.0002296600000000, -0.0001274400000000, -0.0002970000000000 ] - [ -0.0126972900000000, 0.0071185200000000, -0.0095553400000000 ] - [ -0.0094905200000000, 0.0000000000000000, -0.0034986600000000 ] - [ -0.0126972900000000, -0.0071185200000000, -0.0095553400000000 ] - [ -0.0116399400000000, -0.0074371300000000, -0.0030744300000000 ] - [ -0.0111499900000000, 0.0000000000000000, 0.0050078400000000 ] - [ -0.0116399400000000, 0.0074371300000000, -0.0030744300000000 ] - [ -0.0057353000000000, 0.0056822300000000, 0.0142980700000000 ] - [ -0.0034703900000000, 0.0000000000000000, 0.0087504500000000 ] - [ -0.0057353000000000, -0.0056822300000000, 0.0142980700000000 ] - [ -0.0060782600000000, -0.0000576300000000, 0.0042339300000000 ] - [ -0.0060156300000000, 0.0000000000000000, 0.0046808800000000 ] - [ -0.0060782600000000, 0.0000576300000000, 0.0042339300000000 ] - [ -0.0063989200000000, 0.0000021500000000, 0.0057290500000000 ] - [ -0.0063945400000000, 0.0000000000000000, 0.0057353600000000 ] - [ -0.0063989200000000, -0.0000021500000000, 0.0057290500000000 ] - [ -0.0075233400000000, -0.0000010600000000, 0.0047410800000000 ] - [ -0.0075253100000000, 0.0000000000000000, 0.0047503700000000 ] - [ -0.0075233400000000, 0.0000010600000000, 0.0047410800000000 ] - [ -0.0068232600000000, 0.0000459000000000, 0.0042571200000000 ] - [ -0.0067885000000000, 0.0000000000000000, 0.0038315500000000 ] - [ -0.0068232600000000, -0.0000459000000000, 0.0042571200000000 ] - [ -0.0069760800000000, -0.0000174600000000, 0.0050589400000000 ] - [ -0.0069573900000000, 0.0000000000000000, 0.0046790900000000 ] - [ -0.0069760800000000, 0.0000174600000000, 0.0050589400000000 ] - [ -0.0096303400000000, -0.0068054800000000, 0.0090487500000000 ] - [ -0.0087623500000000, 0.0000000000000000, 0.0027753500000000 ] - [ -0.0096303400000000, 0.0068054800000000, 0.0090487500000000 ] - [ -0.0070246900000000, 0.0000410700000000, 0.0044729700000000 ] - [ -0.0070141000000000, 0.0000000000000000, 0.0049410500000000 ] - [ -0.0070246900000000, -0.0000410700000000, 0.0044729700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005354300000000, -0.0004432300000000, -0.0000657700000000 ] - [ -0.0005367400000000, 0.0002256300000000, 0.0001089000000000 ] - [ -0.0005335200000000, 0.0002256300000000, -0.0002400100000000 ] - [ -0.0001364100000000, -0.0014918800000000, 0.0000584500000000 ] - [ -0.0000857600000000, 0.0006641000000000, -0.0000142000000000 ] - [ -0.0001789300000000, 0.0006634000000000, 0.0001311100000000 ] - [ -0.0001979000000000, -0.0167897800000000, 0.0003573100000000 ] - [ -0.0000958100000000, 0.0019783000000000, 0.0002823500000000 ] - [ -0.0002146100000000, 0.0019578300000000, 0.0003406600000000 ] - [ 0.0044872300000000, 0.0006860600000000, -0.0036993500000000 ] - [ 0.0044466400000000, -0.0003391300000000, -0.0038200200000000 ] - [ 0.0045284600000000, -0.0003403700000000, -0.0035791900000000 ] - [ 0.0096390800000000, 0.0061456300000000, -0.0034428500000000 ] - [ 0.0093369300000000, -0.0022556400000000, -0.0038767500000000 ] - [ 0.0099339900000000, -0.0022586700000000, -0.0030136000000000 ] - [ 0.0013751400000000, 0.0049846900000000, -0.0072100000000000 ] - [ 0.0017073600000000, -0.0021828500000000, -0.0074845400000000 ] - [ 0.0010516500000000, -0.0021853000000000, -0.0069464800000000 ] - [ -0.0006341900000000, 0.0000539200000000, -0.0015738800000000 ] - [ -0.0006468400000000, -0.0001063800000000, -0.0013013900000000 ] - [ -0.0006597000000000, 0.0000538300000000, -0.0010293400000000 ] - [ 0.0019709200000000, 0.0000668900000000, -0.0000027100000000 ] - [ 0.0019693400000000, -0.0001329900000000, 0.0002567100000000 ] - [ 0.0019707600000000, 0.0000667200000000, 0.0005159100000000 ] - [ -0.0000150400000000, 0.0002790800000000, -0.0040005700000000 ] - [ -0.0003187200000000, -0.0004592300000000, -0.0019780000000000 ] - [ -0.0006211700000000, 0.0002775100000000, 0.0000413300000000 ] - [ 0.0018875800000000, 0.0001028400000000, -0.0002464900000000 ] - [ 0.0019471500000000, -0.0002073900000000, 0.0000552100000000 ] - [ 0.0020055500000000, 0.0001032000000000, 0.0003567000000000 ] - [ -0.0002680200000000, 0.0003049900000000, -0.0032404000000000 ] - [ -0.0000497300000000, -0.0004973800000000, -0.0013275100000000 ] - [ 0.0001669300000000, 0.0003025700000000, 0.0005835000000000 ] - [ 0.0022713300000000, 0.0000296700000000, -0.0000872900000000 ] - [ 0.0022792200000000, -0.0000590800000000, -0.0000922000000000 ] - [ 0.0022869000000000, 0.0000297800000000, -0.0000971000000000 ] - [ 0.0003601400000000, 0.0000538500000000, -0.0014916600000000 ] - [ 0.0003436800000000, -0.0001049900000000, -0.0012341400000000 ] - [ 0.0003273400000000, 0.0000537400000000, -0.0009743100000000 ] - [ -0.0007993800000000, 0.0003216000000000, -0.0004211300000000 ] - [ -0.0005050700000000, -0.0005099100000000, -0.0019456600000000 ] - [ -0.0002120700000000, 0.0003184900000000, -0.0034704600000000 ] - [ 0.0025137400000000, 0.0000971800000000, 0.0008167700000000 ] - [ 0.0024821000000000, -0.0001947100000000, 0.0005393000000000 ] - [ 0.0024500400000000, 0.0000967400000000, 0.0002617100000000 ] - [ -0.0004593700000000, 0.0000539500000000, -0.0008829400000000 ] - [ -0.0004776000000000, -0.0001054400000000, -0.0011575200000000 ] - [ -0.0004962600000000, 0.0000539800000000, -0.0014311100000000 ] - [ 0.0026036100000000, 0.0000307500000000, 0.0004466600000000 ] - [ 0.0026052800000000, -0.0000611200000000, 0.0004417000000000 ] - [ 0.0026083100000000, 0.0000306800000000, 0.0004368500000000 ] - [ 0.0001408100000000, 0.0000519500000000, -0.0012442300000000 ] - [ 0.0001318100000000, -0.0001019100000000, -0.0015098600000000 ] - [ 0.0001229700000000, 0.0000517800000000, -0.0017771100000000 ] - [ 0.0031802400000000, 0.0004295600000000, 0.0006904000000000 ] - [ 0.0029359900000000, -0.0006956700000000, -0.0003505500000000 ] - [ 0.0026932000000000, 0.0004251700000000, -0.0013883100000000 ] - [ 0.0001808300000000, 0.0003009600000000, 0.0005630300000000 ] - [ -0.0002817400000000, -0.0004892300000000, -0.0014146400000000 ] - [ -0.0007429900000000, 0.0002993100000000, -0.0033912600000000 ] - [ 0.0010567300000000, 0.0003887300000000, -0.0012826700000000 ] - [ 0.0014155800000000, -0.0006341600000000, -0.0001822600000000 ] - [ 0.0017751600000000, 0.0003850700000000, 0.0009143200000000 ] - [ 0.0022856900000000, -0.0007067900000000, -0.0007080700000000 ] - [ 0.0004188900000000, -0.0006185500000000, -0.0004542400000000 ] - [ -0.0014328200000000, -0.0007115000000000, -0.0002016300000000 ] - [ 0.0040089400000000, 0.0001688200000000, 0.0025941400000000 ] - [ 0.0023487800000000, -0.0007176600000000, -0.0001653400000000 ] - [ 0.0006745200000000, 0.0000546600000000, -0.0030014600000000 ] - [ -0.0027437500000000, -0.0011329600000000, -0.0030277600000000 ] - [ -0.0001255700000000, -0.0006804200000000, -0.0020612800000000 ] - [ 0.0025056200000000, -0.0011803800000000, -0.0010945300000000 ] - [ 0.0023962300000000, 0.0001062700000000, 0.0004748500000000 ] - [ 0.0024300800000000, -0.0002156900000000, 0.0001857300000000 ] - [ 0.0024647900000000, 0.0001058600000000, -0.0001033600000000 ] - [ 0.0039218200000000, -0.0006789000000000, -0.0032963300000000 ] - [ 0.0024136800000000, -0.0007445700000000, 0.0002610900000000 ] - [ 0.0009044200000000, -0.0007435400000000, 0.0038503800000000 ] - [ 0.0055272800000000, 0.0002166700000000, -0.0034678800000000 ] - [ 0.0055236800000000, -0.0001079500000000, -0.0034652600000000 ] - [ 0.0055305400000000, -0.0001077800000000, -0.0034701300000000 ] - [ 0.0046498700000000, 0.0005911200000000, -0.0034073800000000 ] - [ 0.0046234500000000, -0.0002909400000000, -0.0032759900000000 ] - [ 0.0046765600000000, -0.0002916900000000, -0.0035380500000000 ] - [ 0.0049468600000000, 0.0006962300000000, -0.0025795400000000 ] - [ 0.0049655800000000, -0.0003444000000000, -0.0027046400000000 ] - [ 0.0049282900000000, -0.0003453200000000, -0.0024548100000000 ] - [ 0.0069225600000000, 0.0056204200000000, -0.0006722300000000 ] - [ 0.0065976800000000, -0.0018565200000000, -0.0002232600000000 ] - [ 0.0072473300000000, -0.0018597200000000, -0.0011200600000000 ] - [ 0.0047196800000000, 0.0002148800000000, -0.0043341300000000 ] - [ 0.0047164600000000, -0.0001066500000000, -0.0043316900000000 ] - [ 0.0047229200000000, -0.0001067000000000, -0.0043369200000000 ] - [ 0.0052024100000000, 0.0006521100000000, -0.0040002100000000 ] - [ 0.0052056600000000, -0.0003214700000000, -0.0038538000000000 ] - [ 0.0051985400000000, -0.0003224200000000, -0.0041460800000000 ] - [ 0.0068729300000000, 0.0051815700000000, 0.0043617800000000 ] - [ 0.0072655300000000, -0.0021764200000000, 0.0046564000000000 ] - [ 0.0064882200000000, -0.0021799700000000, 0.0040784000000000 ] - [ 0.0004322200000000, -0.0015359500000000, 0.0001040000000000 ] - [ 0.0004567200000000, 0.0007770700000000, 0.0007886200000000 ] - [ 0.0004054500000000, 0.0007770000000000, -0.0005712800000000 ] - [ -0.0003031400000000, -0.0002041200000000, 0.0000888500000000 ] - [ -0.0003006000000000, 0.0001032100000000, 0.0001546600000000 ] - [ -0.0003040100000000, 0.0001022600000000, 0.0000226900000000 ] - [ -0.0003954500000000, -0.0001993100000000, -0.0001686400000000 ] - [ -0.0003963200000000, 0.0000989400000000, -0.0002275200000000 ] - [ -0.0003956100000000, 0.0000994800000000, -0.0001102100000000 ] - [ -0.0000349700000000, -0.0002111900000000, 0.0000490700000000 ] - [ -0.0000367100000000, 0.0001058500000000, 0.0001206900000000 ] - [ -0.0000347400000000, 0.0001062700000000, -0.0000230900000000 ] - [ -0.0005810600000000, -0.0002071300000000, 0.0000400600000000 ] - [ -0.0005812100000000, 0.0001040600000000, -0.0000235600000000 ] - [ -0.0005807100000000, 0.0001037800000000, 0.0001033100000000 ] - [ 0.0000899100000000, -0.0009042800000000, 0.0000308100000000 ] - [ 0.0000489100000000, 0.0004561400000000, -0.0003243900000000 ] - [ 0.0001315600000000, 0.0004564400000000, 0.0003819400000000 ] - [ -0.0006066200000000, -0.0017079100000000, -0.0001559700000000 ] - [ -0.0005179400000000, 0.0008017000000000, -0.0008608200000000 ] - [ -0.0006965500000000, 0.0008021400000000, 0.0005366900000000 ] - [ -0.0172395400000000, -0.0000899000000000, -0.0095538900000000 ] - [ -0.0094374400000000, 0.0034167400000000, -0.0033097600000000 ] - [ -0.0016652800000000, -0.0000741000000000, 0.0028999100000000 ] - [ -0.0049986800000000, 0.0007625000000000, 0.0152103800000000 ] - [ -0.0111804800000000, 0.0035677100000000, 0.0051859900000000 ] - [ -0.0173184700000000, 0.0007808100000000, -0.0047789600000000 ] - [ -0.0092704600000000, -0.0007241000000000, 0.0142369900000000 ] - [ -0.0034635500000000, 0.0034786700000000, 0.0084928200000000 ] - [ 0.0023218800000000, -0.0007053900000000, 0.0027733800000000 ] - [ -0.0058949900000000, -0.0002808700000000, 0.0059629200000000 ] - [ -0.0059678600000000, 0.0005568500000000, 0.0049163200000000 ] - [ -0.0060446200000000, -0.0002786600000000, 0.0038677800000000 ] - [ -0.0063901200000000, -0.0000882200000000, 0.0057689300000000 ] - [ -0.0063943500000000, 0.0001760000000000, 0.0057633900000000 ] - [ -0.0064005600000000, -0.0000873600000000, 0.0057617100000000 ] - [ -0.0075258800000000, -0.0000873100000000, 0.0047839800000000 ] - [ -0.0075226500000000, 0.0001782700000000, 0.0047755100000000 ] - [ -0.0075179600000000, -0.0000891200000000, 0.0047638100000000 ] - [ -0.0067937700000000, -0.0002856600000000, 0.0048303400000000 ] - [ -0.0067568400000000, 0.0005683200000000, 0.0036389100000000 ] - [ -0.0067179100000000, -0.0002868900000000, 0.0024488000000000 ] - [ -0.0069442800000000, -0.0002609800000000, 0.0035716300000000 ] - [ -0.0069556100000000, 0.0005181100000000, 0.0044798500000000 ] - [ -0.0069666800000000, -0.0002594600000000, 0.0053920900000000 ] - [ -0.0029859300000000, 0.0008705600000000, -0.0053589500000000 ] - [ -0.0087614800000000, 0.0028556300000000, 0.0025027600000000 ] - [ -0.0144969000000000, 0.0008851100000000, 0.0103141900000000 ] - [ -0.0070474000000000, -0.0002750400000000, 0.0040260900000000 ] - [ -0.0069994500000000, 0.0005488600000000, 0.0051533100000000 ] - [ -0.0069519300000000, -0.0002745200000000, 0.0062777200000000 ]- atom: 7 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0004814500000000, 0.0000000000000000, 0.0005203700000000 ] - [ -0.0005411000000000, 0.0001621500000000, 0.0001266000000000 ] - [ -0.0005411000000000, -0.0001621500000000, 0.0001266000000000 ] - [ -0.0000756000000000, 0.0000000000000000, -0.0016116300000000 ] - [ -0.0000818200000000, 0.0000394700000000, -0.0006255100000000 ] - [ -0.0000818200000000, -0.0000394700000000, -0.0006255100000000 ] - [ -0.0019966400000000, 0.0000000000000000, -0.0205388700000000 ] - [ -0.0002004700000000, 0.0000265600000000, -0.0008296800000000 ] - [ -0.0002004700000000, -0.0000265600000000, -0.0008296800000000 ] - [ 0.0043644000000000, 0.0000000000000000, -0.0042921900000000 ] - [ 0.0044454400000000, -0.0003105600000000, -0.0041105400000000 ] - [ 0.0044454400000000, 0.0003105600000000, -0.0041105400000000 ] - [ 0.0072298800000000, 0.0000000000000000, -0.0037991300000000 ] - [ 0.0093074500000000, -0.0017671100000000, -0.0031762500000000 ] - [ 0.0093074500000000, 0.0017671100000000, -0.0031762500000000 ] - [ 0.0040568900000000, 0.0000000000000000, -0.0083229700000000 ] - [ 0.0018482700000000, -0.0018431800000000, -0.0069227500000000 ] - [ 0.0018482700000000, 0.0018431800000000, -0.0069227500000000 ] - [ -0.0006546600000000, -0.0000403000000000, -0.0026106200000000 ] - [ -0.0006579700000000, 0.0000000000000000, -0.0023112300000000 ] - [ -0.0006546600000000, 0.0000403000000000, -0.0026106200000000 ] - [ 0.0019401600000000, -0.0000731700000000, -0.0001829400000000 ] - [ 0.0019506900000000, 0.0000000000000000, 0.0000222400000000 ] - [ 0.0019401600000000, 0.0000731700000000, -0.0001829400000000 ] - [ -0.0000073900000000, -0.0003916500000000, -0.0033836100000000 ] - [ -0.0002516700000000, 0.0000000000000000, -0.0021732000000000 ] - [ -0.0000073900000000, 0.0003916500000000, -0.0033836100000000 ] - [ 0.0019340000000000, -0.0001177300000000, -0.0005108100000000 ] - [ 0.0019486500000000, 0.0000000000000000, -0.0002623000000000 ] - [ 0.0019340000000000, 0.0001177300000000, -0.0005108100000000 ] - [ -0.0003863800000000, -0.0005678200000000, -0.0027555600000000 ] - [ -0.0001803200000000, 0.0000000000000000, -0.0014802600000000 ] - [ -0.0003863800000000, 0.0005678200000000, -0.0027555600000000 ] - [ 0.0022543400000000, 0.0000017100000000, -0.0005420000000000 ] - [ 0.0022601100000000, 0.0000000000000000, -0.0004687200000000 ] - [ 0.0022543400000000, -0.0000017100000000, -0.0005420000000000 ] - [ 0.0003333700000000, -0.0000366300000000, -0.0025407100000000 ] - [ 0.0003278600000000, 0.0000000000000000, -0.0022608600000000 ] - [ 0.0003333700000000, 0.0000366300000000, -0.0025407100000000 ] - [ -0.0001951400000000, 0.0005902800000000, -0.0031768400000000 ] - [ -0.0004309300000000, 0.0000000000000000, -0.0020731300000000 ] - [ -0.0001951400000000, -0.0005902800000000, -0.0031768400000000 ] - [ 0.0024771300000000, 0.0001220100000000, 0.0000500300000000 ] - [ 0.0024798100000000, 0.0000000000000000, 0.0002776800000000 ] - [ 0.0024771300000000, -0.0001220100000000, 0.0000500300000000 ] - [ -0.0004938000000000, 0.0000411100000000, -0.0024407200000000 ] - [ -0.0004825400000000, 0.0000000000000000, -0.0021513100000000 ] - [ -0.0004938000000000, -0.0000411100000000, -0.0024407200000000 ] - [ 0.0025811000000000, 0.0000005900000000, 0.0000015000000000 ] - [ 0.0025842800000000, 0.0000000000000000, 0.0000675300000000 ] - [ 0.0025811000000000, -0.0000005900000000, 0.0000015000000000 ] - [ 0.0001307700000000, 0.0000457400000000, -0.0028324400000000 ] - [ 0.0001322200000000, 0.0000000000000000, -0.0025217000000000 ] - [ 0.0001307700000000, -0.0000457400000000, -0.0028324400000000 ] - [ 0.0028959700000000, 0.0009732200000000, 0.0000465600000000 ] - [ 0.0028930000000000, 0.0000000000000000, -0.0000436900000000 ] - [ 0.0028959700000000, -0.0009732200000000, 0.0000465600000000 ] - [ -0.0006125100000000, 0.0004337600000000, -0.0025292500000000 ] - [ -0.0003074300000000, 0.0000000000000000, -0.0014668700000000 ] - [ -0.0006125100000000, -0.0004337600000000, -0.0025292500000000 ] - [ 0.0012237700000000, -0.0009252400000000, 0.0000326800000000 ] - [ 0.0015186800000000, 0.0000000000000000, 0.0000700800000000 ] - [ 0.0012237700000000, 0.0009252400000000, 0.0000326800000000 ] - [ 0.0004173200000000, -0.0000796800000000, 0.0053613500000000 ] - [ 0.0003953100000000, 0.0000000000000000, 0.0020643000000000 ] - [ 0.0004173200000000, 0.0000796800000000, 0.0053613500000000 ] - [ 0.0008582000000000, 0.0021805200000000, 0.0001845000000000 ] - [ 0.0024033900000000, 0.0000000000000000, 0.0002277700000000 ] - [ 0.0008582000000000, -0.0021805200000000, 0.0001845000000000 ] - [ -0.0004114800000000, -0.0003213400000000, 0.0046617900000000 ] - [ -0.0001503600000000, 0.0000000000000000, 0.0003702400000000 ] - [ -0.0004114800000000, 0.0003213400000000, 0.0046617900000000 ] - [ 0.0023794600000000, 0.0001436200000000, -0.0003504700000000 ] - [ 0.0023911100000000, 0.0000000000000000, -0.0001010500000000 ] - [ 0.0023794600000000, -0.0001436200000000, -0.0003504700000000 ] - [ 0.0037580100000000, -0.0028880100000000, -0.0005891200000000 ] - [ 0.0023338100000000, 0.0000000000000000, 0.0006070700000000 ] - [ 0.0037580100000000, 0.0028880100000000, -0.0005891200000000 ] - [ 0.0055259800000000, 0.0000000000000000, -0.0039311900000000 ] - [ 0.0055255500000000, -0.0000008900000000, -0.0038917800000000 ] - [ 0.0055255500000000, 0.0000008900000000, -0.0038917800000000 ] - [ 0.0047287100000000, 0.0000000000000000, -0.0040330000000000 ] - [ 0.0046661800000000, 0.0003014400000000, -0.0037995000000000 ] - [ 0.0046661800000000, -0.0003014400000000, -0.0037995000000000 ] - [ 0.0050529400000000, 0.0000000000000000, -0.0031444900000000 ] - [ 0.0049971500000000, -0.0002871800000000, -0.0029737000000000 ] - [ 0.0049971500000000, 0.0002871800000000, -0.0029737000000000 ] - [ 0.0084654400000000, 0.0000000000000000, 0.0004023800000000 ] - [ 0.0072624000000000, 0.0014688200000000, -0.0001752100000000 ] - [ 0.0072624000000000, -0.0014688200000000, -0.0001752100000000 ] - [ 0.0047207700000000, 0.0000000000000000, -0.0047915600000000 ] - [ 0.0047208200000000, -0.0000002000000000, -0.0047534300000000 ] - [ 0.0047208200000000, 0.0000002000000000, -0.0047534300000000 ] - [ 0.0051719900000000, 0.0000000000000000, -0.0045845900000000 ] - [ 0.0051825500000000, 0.0002777300000000, -0.0043589600000000 ] - [ 0.0051825500000000, -0.0002777300000000, -0.0043589600000000 ] - [ 0.0039850900000000, 0.0000000000000000, 0.0034915500000000 ] - [ 0.0063708700000000, 0.0017494700000000, 0.0047248100000000 ] - [ 0.0063708700000000, -0.0017494700000000, 0.0047248100000000 ] - [ 0.0002469500000000, 0.0000000000000000, 0.0033055000000000 ] - [ 0.0004594700000000, 0.0006217200000000, 0.0007530800000000 ] - [ 0.0004594700000000, -0.0006217200000000, 0.0007530800000000 ] - [ -0.0003010800000000, 0.0000000000000000, 0.0006837500000000 ] - [ -0.0003036700000000, 0.0000568400000000, 0.0005919000000000 ] - [ -0.0003036700000000, -0.0000568400000000, 0.0005919000000000 ] - [ -0.0004051400000000, 0.0000000000000000, 0.0004472600000000 ] - [ -0.0004027500000000, -0.0000592200000000, 0.0003511800000000 ] - [ -0.0004027500000000, 0.0000592200000000, 0.0003511800000000 ] - [ -0.0000295300000000, 0.0000000000000000, 0.0006905100000000 ] - [ -0.0000277300000000, 0.0000609100000000, 0.0005915600000000 ] - [ -0.0000277300000000, -0.0000609100000000, 0.0005915600000000 ] - [ -0.0005686300000000, 0.0000000000000000, 0.0006792600000000 ] - [ -0.0005719700000000, -0.0000640500000000, 0.0005790100000000 ] - [ -0.0005719700000000, 0.0000640500000000, 0.0005790100000000 ] - [ 0.0000305000000000, 0.0000000000000000, 0.0012110000000000 ] - [ 0.0000946700000000, -0.0003498000000000, 0.0003620800000000 ] - [ 0.0000946700000000, 0.0003498000000000, 0.0003620800000000 ] - [ -0.0004845300000000, 0.0000000000000000, 0.0040504000000000 ] - [ -0.0006462100000000, -0.0006202300000000, 0.0004264100000000 ] - [ -0.0006462100000000, 0.0006202300000000, 0.0004264100000000 ] - [ -0.0023253600000000, -0.0059365100000000, -0.0048970500000000 ] - [ -0.0092847000000000, 0.0000000000000000, -0.0052197200000000 ] - [ -0.0023253600000000, 0.0059365100000000, -0.0048970500000000 ] - [ -0.0042206200000000, 0.0095823400000000, 0.0056742000000000 ] - [ -0.0110062600000000, 0.0000000000000000, 0.0034419500000000 ] - [ -0.0042206200000000, -0.0095823400000000, 0.0056742000000000 ] - [ -0.0097224000000000, 0.0055097500000000, 0.0074133300000000 ] - [ -0.0036758400000000, 0.0000000000000000, 0.0067279200000000 ] - [ -0.0097224000000000, -0.0055097500000000, 0.0074133300000000 ] - [ -0.0057547000000000, 0.0002906000000000, 0.0067760700000000 ] - [ -0.0058562800000000, 0.0000000000000000, 0.0057763100000000 ] - [ -0.0057547000000000, -0.0002906000000000, 0.0067760700000000 ] - [ -0.0063515900000000, -0.0000018300000000, 0.0073728700000000 ] - [ -0.0063587500000000, 0.0000000000000000, 0.0070896100000000 ] - [ -0.0063515900000000, 0.0000018300000000, 0.0073728700000000 ] - [ -0.0074898200000000, 0.0000008400000000, 0.0064074700000000 ] - [ -0.0074953600000000, 0.0000000000000000, 0.0061137800000000 ] - [ -0.0074898200000000, -0.0000008400000000, 0.0064074700000000 ] - [ -0.0068956700000000, 0.0002789800000000, 0.0055392800000000 ] - [ -0.0068401800000000, 0.0000000000000000, 0.0045676800000000 ] - [ -0.0068956700000000, -0.0002789800000000, 0.0055392800000000 ] - [ -0.0070040300000000, -0.0003154700000000, 0.0062997200000000 ] - [ -0.0069629400000000, 0.0000000000000000, 0.0053717100000000 ] - [ -0.0070040300000000, 0.0003154700000000, 0.0062997200000000 ] - [ -0.0144299800000000, -0.0079506500000000, 0.0019573200000000 ] - [ -0.0088721000000000, 0.0000000000000000, 0.0008593000000000 ] - [ -0.0144299800000000, 0.0079506500000000, 0.0019573200000000 ] - [ -0.0068819100000000, -0.0003005200000000, 0.0068923400000000 ] - [ -0.0069448000000000, 0.0000000000000000, 0.0060101500000000 ] - [ -0.0068819100000000, 0.0003005200000000, 0.0068923400000000 ]- atom: 7 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005898300000000, 0.0000000000000000, -0.0006506100000000 ] - [ -0.0005294200000000, -0.0001621300000000, -0.0002587300000000 ] - [ -0.0005294200000000, 0.0001621300000000, -0.0002587300000000 ] - [ -0.0001969500000000, 0.0000000000000000, 0.0017263200000000 ] - [ -0.0001832600000000, -0.0000411000000000, 0.0007415400000000 ] - [ -0.0001832600000000, 0.0000411000000000, 0.0007415400000000 ] - [ 0.0014227000000000, 0.0000000000000000, 0.0212316800000000 ] - [ -0.0001094600000000, -0.0000319200000000, 0.0014496300000000 ] - [ -0.0001094600000000, 0.0000319200000000, 0.0014496300000000 ] - [ 0.0046087700000000, 0.0000000000000000, -0.0031077500000000 ] - [ 0.0045296000000000, 0.0003117400000000, -0.0032885500000000 ] - [ 0.0045296000000000, -0.0003117400000000, -0.0032885500000000 ] - [ 0.0121015000000000, 0.0000000000000000, -0.0029831800000000 ] - [ 0.0099641900000000, 0.0017667900000000, -0.0037104400000000 ] - [ 0.0099641900000000, -0.0017667900000000, -0.0037104400000000 ] - [ -0.0012799800000000, 0.0000000000000000, -0.0061001900000000 ] - [ 0.0009114200000000, 0.0018401800000000, -0.0075060200000000 ] - [ 0.0009114200000000, -0.0018401800000000, -0.0075060200000000 ] - [ -0.0006391400000000, 0.0000400800000000, 0.0000074500000000 ] - [ -0.0006355200000000, 0.0000000000000000, -0.0002917300000000 ] - [ -0.0006391400000000, -0.0000400800000000, 0.0000074500000000 ] - [ 0.0020011400000000, 0.0000729300000000, 0.0006967400000000 ] - [ 0.0019862300000000, 0.0000000000000000, 0.0004912500000000 ] - [ 0.0020011400000000, -0.0000729300000000, 0.0006967400000000 ] - [ -0.0006299100000000, 0.0003896100000000, -0.0005693600000000 ] - [ -0.0003860300000000, 0.0000000000000000, -0.0017815300000000 ] - [ -0.0006299100000000, -0.0003896100000000, -0.0005693600000000 ] - [ 0.0019597800000000, 0.0001168100000000, 0.0006211600000000 ] - [ 0.0019460100000000, 0.0000000000000000, 0.0003733700000000 ] - [ 0.0019597800000000, -0.0001168100000000, 0.0006211600000000 ] - [ 0.0002843800000000, 0.0005658600000000, 0.0001043900000000 ] - [ 0.0000808500000000, 0.0000000000000000, -0.0011706100000000 ] - [ 0.0002843800000000, -0.0005658600000000, 0.0001043900000000 ] - [ 0.0023037400000000, -0.0000018800000000, 0.0003578500000000 ] - [ 0.0022991600000000, 0.0000000000000000, 0.0002844500000000 ] - [ 0.0023037400000000, 0.0000018800000000, 0.0003578500000000 ] - [ 0.0003539800000000, 0.0000365600000000, 0.0000744800000000 ] - [ 0.0003594600000000, 0.0000000000000000, -0.0002067300000000 ] - [ 0.0003539800000000, -0.0000365600000000, 0.0000744800000000 ] - [ -0.0008176600000000, -0.0005916500000000, -0.0007184100000000 ] - [ -0.0005793400000000, 0.0000000000000000, -0.0018196200000000 ] - [ -0.0008176600000000, 0.0005916500000000, -0.0007184100000000 ] - [ 0.0024862200000000, -0.0001220800000000, 0.0010283100000000 ] - [ 0.0024843200000000, 0.0000000000000000, 0.0008010000000000 ] - [ 0.0024862200000000, 0.0001220800000000, 0.0010283100000000 ] - [ -0.0004619700000000, -0.0000413100000000, 0.0001273100000000 ] - [ -0.0004727800000000, 0.0000000000000000, -0.0001636200000000 ] - [ -0.0004619700000000, 0.0000413100000000, 0.0001273100000000 ] - [ 0.0026308700000000, -0.0000006400000000, 0.0008822300000000 ] - [ 0.0026254800000000, 0.0000000000000000, 0.0008160800000000 ] - [ 0.0026308700000000, 0.0000006400000000, 0.0008822300000000 ] - [ 0.0001329700000000, -0.0000458900000000, -0.0001880400000000 ] - [ 0.0001315500000000, 0.0000000000000000, -0.0004981800000000 ] - [ 0.0001329700000000, 0.0000458900000000, -0.0001880400000000 ] - [ 0.0029764800000000, -0.0009758300000000, -0.0007496200000000 ] - [ 0.0029787000000000, 0.0000000000000000, -0.0006574600000000 ] - [ 0.0029764800000000, 0.0009758300000000, -0.0007496200000000 ] - [ 0.0000494800000000, -0.0004360000000000, -0.0003052000000000 ] - [ -0.0002563200000000, 0.0000000000000000, -0.0013637900000000 ] - [ 0.0000494800000000, 0.0004360000000000, -0.0003052000000000 ] - [ 0.0016095300000000, 0.0009216100000000, -0.0003943200000000 ] - [ 0.0013132400000000, 0.0000000000000000, -0.0004339700000000 ] - [ 0.0016095300000000, -0.0009216100000000, -0.0003943200000000 ] - [ 0.0004142700000000, 0.0000877500000000, -0.0062662600000000 ] - [ 0.0004423800000000, 0.0000000000000000, -0.0029723200000000 ] - [ 0.0004142700000000, -0.0000877500000000, -0.0062662600000000 ] - [ 0.0038322200000000, -0.0021208200000000, -0.0005929700000000 ] - [ 0.0022943700000000, 0.0000000000000000, -0.0005595700000000 ] - [ 0.0038322200000000, 0.0021208200000000, -0.0005929700000000 ] - [ 0.0001661200000000, 0.0003293100000000, -0.0087754100000000 ] - [ -0.0001007100000000, 0.0000000000000000, -0.0044937300000000 ] - [ 0.0001661200000000, -0.0003293100000000, -0.0087754100000000 ] - [ 0.0024823800000000, -0.0001448500000000, 0.0007226900000000 ] - [ 0.0024690400000000, 0.0000000000000000, 0.0004726300000000 ] - [ 0.0024823800000000, 0.0001448500000000, 0.0007226900000000 ] - [ 0.0010680400000000, 0.0029160100000000, 0.0011676700000000 ] - [ 0.0024921400000000, 0.0000000000000000, -0.0000832200000000 ] - [ 0.0010680400000000, -0.0029160100000000, 0.0011676700000000 ] - [ 0.0055284600000000, 0.0000000000000000, -0.0030043400000000 ] - [ 0.0055285700000000, 0.0000007400000000, -0.0030434700000000 ] - [ 0.0055285700000000, -0.0000007400000000, -0.0030434700000000 ] - [ 0.0045696300000000, 0.0000000000000000, -0.0027795700000000 ] - [ 0.0046339200000000, -0.0003017900000000, -0.0030142600000000 ] - [ 0.0046339200000000, 0.0003017900000000, -0.0030142600000000 ] - [ 0.0048416100000000, 0.0000000000000000, -0.0020155400000000 ] - [ 0.0048965500000000, 0.0002870100000000, -0.0021856800000000 ] - [ 0.0048965500000000, -0.0002870100000000, -0.0021856800000000 ] - [ 0.0054887300000000, 0.0000000000000000, -0.0018961000000000 ] - [ 0.0065831100000000, -0.0014688100000000, -0.0011709400000000 ] - [ 0.0065831100000000, 0.0014688100000000, -0.0011709400000000 ] - [ 0.0047183100000000, 0.0000000000000000, -0.0038761800000000 ] - [ 0.0047184600000000, 0.0000002800000000, -0.0039150500000000 ] - [ 0.0047184600000000, -0.0000002800000000, -0.0039150500000000 ] - [ 0.0052335700000000, 0.0000000000000000, -0.0034136600000000 ] - [ 0.0052217100000000, -0.0002776600000000, -0.0036399200000000 ] - [ 0.0052217100000000, 0.0002776600000000, -0.0036399200000000 ] - [ 0.0097849900000000, 0.0000000000000000, 0.0052279500000000 ] - [ 0.0073843200000000, -0.0017505200000000, 0.0040077200000000 ] - [ 0.0073843200000000, 0.0017505200000000, 0.0040077200000000 ] - [ 0.0006158500000000, 0.0000000000000000, -0.0030560300000000 ] - [ 0.0004035500000000, -0.0006215800000000, -0.0005369100000000 ] - [ 0.0004035500000000, 0.0006215800000000, -0.0005369100000000 ] - [ -0.0003054800000000, 0.0000000000000000, -0.0005049100000000 ] - [ -0.0003011100000000, -0.0000557500000000, -0.0004140500000000 ] - [ -0.0003011100000000, 0.0000557500000000, -0.0004140500000000 ] - [ -0.0003860700000000, 0.0000000000000000, -0.0007844900000000 ] - [ -0.0003891900000000, 0.0000586300000000, -0.0006886800000000 ] - [ -0.0003891900000000, -0.0000586300000000, -0.0006886800000000 ] - [ -0.0000409400000000, 0.0000000000000000, -0.0005923400000000 ] - [ -0.0000441200000000, -0.0000611900000000, -0.0004941600000000 ] - [ -0.0000441200000000, 0.0000611900000000, -0.0004941600000000 ] - [ -0.0005941700000000, 0.0000000000000000, -0.0005996000000000 ] - [ -0.0005905600000000, 0.0000644500000000, -0.0004993100000000 ] - [ -0.0005905600000000, -0.0000644500000000, -0.0004993100000000 ] - [ 0.0001482000000000, 0.0000000000000000, -0.0011528800000000 ] - [ 0.0000853900000000, 0.0003497100000000, -0.0003045900000000 ] - [ 0.0000853900000000, -0.0003497100000000, -0.0003045900000000 ] - [ -0.0007314200000000, 0.0000000000000000, -0.0044287000000000 ] - [ -0.0005682900000000, 0.0006199000000000, -0.0007487700000000 ] - [ -0.0005682900000000, -0.0006199000000000, -0.0007487700000000 ] - [ -0.0165660500000000, 0.0059631400000000, -0.0017017700000000 ] - [ -0.0095884300000000, 0.0000000000000000, -0.0013973700000000 ] - [ -0.0165660500000000, -0.0059631400000000, -0.0017017700000000 ] - [ -0.0180929800000000, -0.0095236600000000, 0.0046862300000000 ] - [ -0.0113562900000000, 0.0000000000000000, 0.0069273300000000 ] - [ -0.0180929800000000, 0.0095236600000000, 0.0046862300000000 ] - [ 0.0027734500000000, -0.0054802200000000, 0.0095562100000000 ] - [ -0.0032499400000000, 0.0000000000000000, 0.0102562500000000 ] - [ 0.0027734500000000, 0.0054802200000000, 0.0095562100000000 ] - [ -0.0061844100000000, -0.0002916400000000, 0.0030544200000000 ] - [ -0.0060780800000000, 0.0000000000000000, 0.0040553100000000 ] - [ -0.0061844100000000, 0.0002916400000000, 0.0030544200000000 ] - [ -0.0064392000000000, 0.0000002300000000, 0.0041592100000000 ] - [ -0.0064293800000000, 0.0000000000000000, 0.0044369400000000 ] - [ -0.0064392000000000, -0.0000002300000000, 0.0041592100000000 ] - [ -0.0075541200000000, 0.0000014300000000, 0.0031398500000000 ] - [ -0.0075501300000000, 0.0000000000000000, 0.0034373100000000 ] - [ -0.0075541200000000, -0.0000014300000000, 0.0031398500000000 ] - [ -0.0066170100000000, -0.0002752900000000, 0.0017380400000000 ] - [ -0.0066742100000000, 0.0000000000000000, 0.0027080600000000 ] - [ -0.0066170100000000, 0.0002752900000000, 0.0017380400000000 ] - [ -0.0069061800000000, 0.0003155200000000, 0.0026647400000000 ] - [ -0.0069483600000000, 0.0000000000000000, 0.0035898700000000 ] - [ -0.0069061800000000, -0.0003155200000000, 0.0026647400000000 ] - [ -0.0030595600000000, 0.0079927000000000, 0.0030605700000000 ] - [ -0.0086513900000000, 0.0000000000000000, 0.0041494000000000 ] - [ -0.0030595600000000, -0.0079927000000000, 0.0030605700000000 ] - [ -0.0071173800000000, 0.0003020200000000, 0.0034110100000000 ] - [ -0.0070531600000000, 0.0000000000000000, 0.0042972100000000 ] - [ -0.0071173800000000, -0.0003020200000000, 0.0034110100000000 ]- atom: 10 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0026910300000000, 0.0000000000000000, 0.0032473900000000 ] - [ -0.0006909200000000, -0.0003235100000000, 0.0004498200000000 ] - [ -0.0006909200000000, 0.0003235100000000, 0.0004498200000000 ] - [ -0.0001731400000000, 0.0000000000000000, -0.0000055200000000 ] - [ -0.0001507400000000, 0.0000194000000000, 0.0000462500000000 ] - [ -0.0001507400000000, -0.0000194000000000, 0.0000462500000000 ] - [ -0.0001159400000000, 0.0000000000000000, 0.0001880000000000 ] - [ -0.0001344200000000, 0.0000406900000000, 0.0002675400000000 ] - [ -0.0001344200000000, -0.0000406900000000, 0.0002675400000000 ] - [ -0.0545066800000000, 0.0000000000000000, -0.0055799900000000 ] - [ 0.0047129300000000, 0.0030241700000000, -0.0035593400000000 ] - [ 0.0047129300000000, -0.0030241700000000, -0.0035593400000000 ] - [ 0.0089451600000000, 0.0000000000000000, -0.0031917100000000 ] - [ 0.0095997700000000, -0.0002881000000000, -0.0034747300000000 ] - [ 0.0095997700000000, 0.0002881000000000, -0.0034747300000000 ] - [ 0.0023983900000000, 0.0000000000000000, -0.0064151300000000 ] - [ 0.0014499000000000, -0.0003736300000000, -0.0071820000000000 ] - [ 0.0014499000000000, 0.0003736300000000, -0.0071820000000000 ] - [ -0.0043917100000000, 0.0005444500000000, 0.0003816100000000 ] - [ -0.0008142400000000, 0.0000000000000000, -0.0007715400000000 ] - [ -0.0043917100000000, -0.0005444500000000, 0.0003816100000000 ] - [ 0.0134868900000000, 0.0138230700000000, 0.0003590900000000 ] - [ 0.0028345100000000, 0.0000000000000000, 0.0001844100000000 ] - [ 0.0134868900000000, -0.0138230700000000, 0.0003590900000000 ] - [ 0.0011390600000000, -0.0006849900000000, -0.0016249900000000 ] - [ -0.0002923800000000, 0.0000000000000000, -0.0021569100000000 ] - [ 0.0011390600000000, 0.0006849900000000, -0.0016249900000000 ] - [ 0.0146630400000000, -0.0134967900000000, -0.0004019200000000 ] - [ 0.0015508500000000, 0.0000000000000000, 0.0000306800000000 ] - [ 0.0146630400000000, 0.0134967900000000, -0.0004019200000000 ] - [ -0.0037041700000000, -0.0013057500000000, -0.0017700700000000 ] - [ -0.0002617400000000, 0.0000000000000000, -0.0021314500000000 ] - [ -0.0037041700000000, 0.0013057500000000, -0.0017700700000000 ] - [ 0.0024238600000000, 0.0003105400000000, 0.0002725600000000 ] - [ 0.0024048000000000, 0.0000000000000000, 0.0000568900000000 ] - [ 0.0024238600000000, -0.0003105400000000, 0.0002725600000000 ] - [ 0.0021650200000000, 0.0001079300000000, -0.0016781400000000 ] - [ 0.0005008300000000, 0.0000000000000000, -0.0013585300000000 ] - [ 0.0021650200000000, -0.0001079300000000, -0.0016781400000000 ] - [ -0.0005091400000000, -0.0000062300000000, -0.0017798700000000 ] - [ -0.0005110700000000, 0.0000000000000000, -0.0018038300000000 ] - [ -0.0005091400000000, 0.0000062300000000, -0.0017798700000000 ] - [ 0.0025098500000000, -0.0000071500000000, 0.0005926100000000 ] - [ 0.0025070500000000, 0.0000000000000000, 0.0006008900000000 ] - [ 0.0025098500000000, 0.0000071500000000, 0.0005926100000000 ] - [ -0.0004032700000000, -0.0000140800000000, -0.0011133900000000 ] - [ -0.0004435900000000, 0.0000000000000000, -0.0010579300000000 ] - [ -0.0004032700000000, 0.0000140800000000, -0.0011133900000000 ] - [ 0.0025391400000000, -0.0005198800000000, 0.0000156500000000 ] - [ 0.0025088300000000, 0.0000000000000000, 0.0003973100000000 ] - [ 0.0025391400000000, 0.0005198800000000, 0.0000156500000000 ] - [ 0.0000385600000000, -0.0000208600000000, -0.0012554800000000 ] - [ 0.0001022400000000, 0.0000000000000000, -0.0012230100000000 ] - [ 0.0000385600000000, 0.0000208600000000, -0.0012554800000000 ] - [ 0.0029715900000000, -0.0000071100000000, -0.0002876400000000 ] - [ 0.0029584200000000, 0.0000000000000000, -0.0003173600000000 ] - [ 0.0029715900000000, 0.0000071100000000, -0.0002876400000000 ] - [ -0.0002780000000000, -0.0000087500000000, -0.0012429300000000 ] - [ -0.0002799700000000, 0.0000000000000000, -0.0012799900000000 ] - [ -0.0002780000000000, 0.0000087500000000, -0.0012429300000000 ] - [ 0.0016786100000000, 0.0000671400000000, -0.0004530000000000 ] - [ 0.0015206700000000, 0.0000000000000000, -0.0002851200000000 ] - [ 0.0016786100000000, -0.0000671400000000, -0.0004530000000000 ] - [ 0.0004864800000000, -0.0000861800000000, -0.0000678800000000 ] - [ 0.0004264700000000, 0.0000000000000000, -0.0003608800000000 ] - [ 0.0004864800000000, 0.0000861800000000, -0.0000678800000000 ] - [ 0.0023162900000000, -0.0000084400000000, -0.0001035000000000 ] - [ 0.0023292300000000, 0.0000000000000000, -0.0001362800000000 ] - [ 0.0023162900000000, 0.0000084400000000, -0.0001035000000000 ] - [ -0.0001763100000000, -0.0000886600000000, -0.0019292900000000 ] - [ -0.0001346900000000, 0.0000000000000000, -0.0021051800000000 ] - [ -0.0001763100000000, 0.0000886600000000, -0.0019292900000000 ] - [ 0.0024047700000000, -0.0000029600000000, 0.0002363900000000 ] - [ 0.0024107700000000, 0.0000000000000000, 0.0002291600000000 ] - [ 0.0024047700000000, 0.0000029600000000, 0.0002363900000000 ] - [ 0.0021725900000000, -0.0003621900000000, 0.0004398200000000 ] - [ 0.0023141500000000, 0.0000000000000000, 0.0002283900000000 ] - [ 0.0021725900000000, 0.0003621900000000, 0.0004398200000000 ] - [ 0.0044851500000000, 0.0000000000000000, -0.0034383400000000 ] - [ 0.0054240400000000, 0.0000994700000000, -0.0032551100000000 ] - [ 0.0054240400000000, -0.0000994700000000, -0.0032551100000000 ] - [ 0.0046525200000000, 0.0000000000000000, -0.0033422400000000 ] - [ 0.0046417200000000, -0.0000182600000000, -0.0033387800000000 ] - [ 0.0046417200000000, 0.0000182600000000, -0.0033387800000000 ] - [ 0.0090267300000000, 0.0000000000000000, -0.0030156400000000 ] - [ 0.0073814100000000, -0.0009493500000000, -0.0025714500000000 ] - [ 0.0073814100000000, 0.0009493500000000, -0.0025714500000000 ] - [ 0.0069193300000000, 0.0000000000000000, -0.0006204300000000 ] - [ 0.0069221700000000, -0.0000401900000000, -0.0006287200000000 ] - [ 0.0069221700000000, 0.0000401900000000, -0.0006287200000000 ] - [ 0.0064589700000000, 0.0000000000000000, -0.0043211800000000 ] - [ 0.0048643700000000, -0.0000991100000000, -0.0043104600000000 ] - [ 0.0048643700000000, 0.0000991100000000, -0.0043104600000000 ] - [ 0.0052010000000000, 0.0000000000000000, -0.0039555600000000 ] - [ 0.0052116300000000, -0.0000172100000000, -0.0039525900000000 ] - [ 0.0052116300000000, 0.0000172100000000, -0.0039525900000000 ] - [ 0.0068757500000000, 0.0000000000000000, 0.0044435000000000 ] - [ 0.0068769100000000, -0.0000539000000000, 0.0044273000000000 ] - [ 0.0068769100000000, 0.0000539000000000, 0.0044273000000000 ] - [ 0.0019387600000000, 0.0000000000000000, -0.0013012700000000 ] - [ 0.0009406500000000, 0.0007842500000000, -0.0002299000000000 ] - [ 0.0009406500000000, -0.0007842500000000, -0.0002299000000000 ] - [ -0.0018324200000000, 0.0000000000000000, -0.0041490800000000 ] - [ -0.0006837300000000, -0.0007649600000000, -0.0007763600000000 ] - [ -0.0006837300000000, 0.0007649600000000, -0.0007763600000000 ] - [ -0.0004528000000000, 0.0000000000000000, -0.0003398700000000 ] - [ -0.0004563400000000, -0.0000137000000000, -0.0002951200000000 ] - [ -0.0004563400000000, 0.0000137000000000, -0.0002951200000000 ] - [ 0.0022798900000000, 0.0000000000000000, 0.0022576500000000 ] - [ 0.0005253500000000, 0.0007633100000000, 0.0006497800000000 ] - [ 0.0005253500000000, -0.0007633100000000, 0.0006497800000000 ] - [ -0.0005332400000000, 0.0000000000000000, 0.0001683500000000 ] - [ -0.0005227200000000, 0.0000554300000000, 0.0000247900000000 ] - [ -0.0005227200000000, -0.0000554300000000, 0.0000247900000000 ] - [ 0.0000765100000000, 0.0000000000000000, -0.0000483500000000 ] - [ 0.0000783100000000, 0.0000126900000000, -0.0000431100000000 ] - [ 0.0000783100000000, -0.0000126900000000, -0.0000431100000000 ] - [ -0.0005920300000000, 0.0000000000000000, -0.0002336900000000 ] - [ -0.0005941700000000, 0.0000122700000000, -0.0002263100000000 ] - [ -0.0005941700000000, -0.0000122700000000, -0.0002263100000000 ] - [ -0.0094137900000000, 0.0000464200000000, -0.0036824400000000 ] - [ -0.0094286300000000, 0.0000000000000000, -0.0034815900000000 ] - [ -0.0094137900000000, -0.0000464200000000, -0.0036824400000000 ] - [ -0.0105266100000000, 0.0004249400000000, 0.0055900500000000 ] - [ -0.0111449200000000, 0.0000000000000000, 0.0057422700000000 ] - [ -0.0105266100000000, -0.0004249400000000, 0.0055900500000000 ] - [ -0.0043001000000000, 0.0009584800000000, 0.0078443000000000 ] - [ -0.0035579400000000, 0.0000000000000000, 0.0085973500000000 ] - [ -0.0043001000000000, -0.0009584800000000, 0.0078443000000000 ] - [ 0.0126747200000000, 0.0007420300000000, 0.0056182100000000 ] - [ -0.0055204800000000, 0.0000000000000000, 0.0051213900000000 ] - [ 0.0126747200000000, -0.0007420300000000, 0.0056182100000000 ] - [ -0.0072236000000000, 0.0001379000000000, 0.0059290400000000 ] - [ -0.0065567000000000, 0.0000000000000000, 0.0057306100000000 ] - [ -0.0072236000000000, -0.0001379000000000, 0.0059290400000000 ] - [ -0.0067337400000000, 0.0001262400000000, 0.0037694600000000 ] - [ -0.0073897300000000, 0.0000000000000000, 0.0042732800000000 ] - [ -0.0067337400000000, -0.0001262400000000, 0.0037694600000000 ] - [ -0.0219690100000000, 0.0009718900000000, 0.0034969200000000 ] - [ -0.0070819100000000, 0.0000000000000000, 0.0038625000000000 ] - [ -0.0219690100000000, -0.0009718900000000, 0.0034969200000000 ] - [ -0.0069518900000000, 0.0000132400000000, 0.0042356200000000 ] - [ -0.0069413300000000, 0.0000000000000000, 0.0042180000000000 ] - [ -0.0069518900000000, -0.0000132400000000, 0.0042356200000000 ] - [ -0.0087713100000000, 0.0000283800000000, 0.0022985800000000 ] - [ -0.0087642500000000, 0.0000000000000000, 0.0024043100000000 ] - [ -0.0087713100000000, -0.0000283800000000, 0.0022985800000000 ] - [ -0.0070074800000000, 0.0000140700000000, 0.0050139300000000 ] - [ -0.0070190400000000, 0.0000000000000000, 0.0049956500000000 ] - [ -0.0070074800000000, -0.0000140700000000, 0.0050139300000000 ]- atom: 10 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0016672500000000, 0.0000000000000000, -0.0033986000000000 ] - [ -0.0003719200000000, 0.0003217400000000, -0.0005814200000000 ] - [ -0.0003719200000000, -0.0003217400000000, -0.0005814200000000 ] - [ -0.0000890400000000, 0.0000000000000000, 0.0001216000000000 ] - [ -0.0001124100000000, -0.0000198600000000, 0.0000683100000000 ] - [ -0.0001124100000000, 0.0000198600000000, 0.0000683100000000 ] - [ -0.0001967900000000, 0.0000000000000000, 0.0004340800000000 ] - [ -0.0001776400000000, -0.0000413400000000, 0.0003528700000000 ] - [ -0.0001776400000000, 0.0000413400000000, 0.0003528700000000 ] - [ 0.0636924200000000, 0.0000000000000000, -0.0019832900000000 ] - [ 0.0042799400000000, -0.0031283800000000, -0.0038473300000000 ] - [ 0.0042799400000000, 0.0031283800000000, -0.0038473300000000 ] - [ 0.0103342700000000, 0.0000000000000000, -0.0036926700000000 ] - [ 0.0096732600000000, 0.0002819300000000, -0.0034041600000000 ] - [ 0.0096732600000000, -0.0002819300000000, -0.0034041600000000 ] - [ 0.0003468100000000, 0.0000000000000000, -0.0080304300000000 ] - [ 0.0013082400000000, 0.0003815800000000, -0.0072495300000000 ] - [ 0.0013082400000000, -0.0003815800000000, -0.0072495300000000 ] - [ 0.0030950700000000, -0.0006100500000000, -0.0030950000000000 ] - [ -0.0004796400000000, 0.0000000000000000, -0.0018490000000000 ] - [ 0.0030950700000000, 0.0006100500000000, -0.0030950000000000 ] - [ -0.0094850400000000, -0.0136183900000000, 0.0001463300000000 ] - [ 0.0010721700000000, 0.0000000000000000, 0.0003272100000000 ] - [ -0.0094850400000000, 0.0136183900000000, 0.0001463300000000 ] - [ -0.0017826500000000, 0.0006965500000000, -0.0023487100000000 ] - [ -0.0003435500000000, 0.0000000000000000, -0.0018039600000000 ] - [ -0.0017826500000000, -0.0006965500000000, -0.0023487100000000 ] - [ -0.0108240500000000, 0.0136741900000000, 0.0005181300000000 ] - [ 0.0023779100000000, 0.0000000000000000, 0.0000790400000000 ] - [ -0.0108240500000000, -0.0136741900000000, 0.0005181300000000 ] - [ 0.0036311700000000, 0.0012524600000000, -0.0007882600000000 ] - [ 0.0001658100000000, 0.0000000000000000, -0.0005075800000000 ] - [ 0.0036311700000000, -0.0012524600000000, -0.0007882600000000 ] - [ 0.0021183400000000, -0.0003034700000000, -0.0004542300000000 ] - [ 0.0021480400000000, 0.0000000000000000, -0.0002417200000000 ] - [ 0.0021183400000000, 0.0003034700000000, -0.0004542300000000 ] - [ -0.0014774900000000, -0.0000958300000000, -0.0007747400000000 ] - [ 0.0001850100000000, 0.0000000000000000, -0.0011055600000000 ] - [ -0.0014774900000000, 0.0000958300000000, -0.0007747400000000 ] - [ -0.0005006600000000, 0.0000067300000000, -0.0021095900000000 ] - [ -0.0004988000000000, 0.0000000000000000, -0.0020863300000000 ] - [ -0.0005006600000000, -0.0000067300000000, -0.0021095900000000 ] - [ 0.0024522700000000, 0.0000075700000000, 0.0004868900000000 ] - [ 0.0024558800000000, 0.0000000000000000, 0.0004780900000000 ] - [ 0.0024522700000000, -0.0000075700000000, 0.0004868900000000 ] - [ -0.0005532500000000, 0.0000161800000000, -0.0011913600000000 ] - [ -0.0005119200000000, 0.0000000000000000, -0.0012548200000000 ] - [ -0.0005532500000000, -0.0000161800000000, -0.0011913600000000 ] - [ 0.0026846500000000, 0.0005301300000000, 0.0008742000000000 ] - [ 0.0027062800000000, 0.0000000000000000, 0.0004861100000000 ] - [ 0.0026846500000000, -0.0005301300000000, 0.0008742000000000 ] - [ 0.0002262800000000, 0.0000212200000000, -0.0017700000000000 ] - [ 0.0001617200000000, 0.0000000000000000, -0.0018018800000000 ] - [ 0.0002262800000000, -0.0000212200000000, -0.0017700000000000 ] - [ 0.0028978700000000, 0.0000074100000000, -0.0004123100000000 ] - [ 0.0029112800000000, 0.0000000000000000, -0.0003822700000000 ] - [ 0.0028978700000000, -0.0000074100000000, -0.0004123100000000 ] - [ -0.0002857200000000, 0.0000092000000000, -0.0015863400000000 ] - [ -0.0002835900000000, 0.0000000000000000, -0.0015485700000000 ] - [ -0.0002857200000000, -0.0000092000000000, -0.0015863400000000 ] - [ 0.0011379500000000, -0.0000644600000000, 0.0000881200000000 ] - [ 0.0013037100000000, 0.0000000000000000, -0.0000785100000000 ] - [ 0.0011379500000000, 0.0000644600000000, 0.0000881200000000 ] - [ 0.0003499000000000, 0.0000877600000000, -0.0008472600000000 ] - [ 0.0004107500000000, 0.0000000000000000, -0.0005483200000000 ] - [ 0.0003499000000000, -0.0000877600000000, -0.0008472600000000 ] - [ 0.0023827700000000, 0.0000088600000000, -0.0002275300000000 ] - [ 0.0023690300000000, 0.0000000000000000, -0.0001943200000000 ] - [ 0.0023827700000000, -0.0000088600000000, -0.0002275300000000 ] - [ -0.0000739900000000, 0.0000889100000000, -0.0021848400000000 ] - [ -0.0001163400000000, 0.0000000000000000, -0.0020094400000000 ] - [ -0.0000739900000000, -0.0000889100000000, -0.0021848400000000 ] - [ 0.0024586800000000, 0.0000034800000000, 0.0001362600000000 ] - [ 0.0024511500000000, 0.0000000000000000, 0.0001430100000000 ] - [ 0.0024586800000000, -0.0000034800000000, 0.0001362600000000 ] - [ 0.0026666300000000, 0.0003683700000000, 0.0000817500000000 ] - [ 0.0025186900000000, 0.0000000000000000, 0.0002957100000000 ] - [ 0.0026666300000000, -0.0003683700000000, 0.0000817500000000 ] - [ 0.0065741600000000, 0.0000000000000000, -0.0034972800000000 ] - [ 0.0056317800000000, -0.0001059200000000, -0.0036898900000000 ] - [ 0.0056317800000000, 0.0001059200000000, -0.0036898900000000 ] - [ 0.0046474200000000, 0.0000000000000000, -0.0034709100000000 ] - [ 0.0046584800000000, 0.0000194900000000, -0.0034749700000000 ] - [ 0.0046584800000000, -0.0000194900000000, -0.0034749700000000 ] - [ 0.0008629100000000, 0.0000000000000000, -0.0021477000000000 ] - [ 0.0025146900000000, 0.0009972100000000, -0.0025874000000000 ] - [ 0.0025146900000000, -0.0009972100000000, -0.0025874000000000 ] - [ 0.0069267700000000, 0.0000000000000000, -0.0007227700000000 ] - [ 0.0069239800000000, 0.0000409600000000, -0.0007143600000000 ] - [ 0.0069239800000000, -0.0000409600000000, -0.0007143600000000 ] - [ 0.0029785000000000, 0.0000000000000000, -0.0043214700000000 ] - [ 0.0045741400000000, 0.0001078800000000, -0.0043557500000000 ] - [ 0.0045741400000000, -0.0001078800000000, -0.0043557500000000 ] - [ 0.0052036600000000, 0.0000000000000000, -0.0040419900000000 ] - [ 0.0051926800000000, 0.0000192200000000, -0.0040453800000000 ] - [ 0.0051926800000000, -0.0000192200000000, -0.0040453800000000 ] - [ 0.0068785800000000, 0.0000000000000000, 0.0042899100000000 ] - [ 0.0068773400000000, 0.0000555300000000, 0.0043064400000000 ] - [ 0.0068773400000000, -0.0000555300000000, 0.0043064400000000 ] - [ -0.0013184000000000, 0.0000000000000000, 0.0012889600000000 ] - [ -0.0000988600000000, -0.0007869600000000, 0.0004475300000000 ] - [ -0.0000988600000000, 0.0007869600000000, 0.0004475300000000 ] - [ 0.0014010600000000, 0.0000000000000000, 0.0044708500000000 ] - [ 0.0000971900000000, 0.0007620900000000, 0.0009550700000000 ] - [ 0.0000971900000000, -0.0007620900000000, 0.0009550700000000 ] - [ -0.0003336600000000, 0.0000000000000000, -0.0000017200000000 ] - [ -0.0003324000000000, 0.0000118200000000, -0.0000423300000000 ] - [ -0.0003324000000000, -0.0000118200000000, -0.0000423300000000 ] - [ -0.0025779100000000, 0.0000000000000000, -0.0019368100000000 ] - [ -0.0006158900000000, -0.0007694100000000, -0.0005518200000000 ] - [ -0.0006158900000000, 0.0007694100000000, -0.0005518200000000 ] - [ -0.0006340800000000, 0.0000000000000000, -0.0000945100000000 ] - [ -0.0006428900000000, -0.0000572100000000, 0.0000545400000000 ] - [ -0.0006428900000000, 0.0000572100000000, 0.0000545400000000 ] - [ 0.0001047600000000, 0.0000000000000000, 0.0001067400000000 ] - [ 0.0001034000000000, -0.0000131400000000, 0.0001015300000000 ] - [ 0.0001034000000000, 0.0000131400000000, 0.0001015300000000 ] - [ -0.0006242100000000, 0.0000000000000000, -0.0000905900000000 ] - [ -0.0006219100000000, -0.0000127300000000, -0.0000973200000000 ] - [ -0.0006219100000000, 0.0000127300000000, -0.0000973200000000 ] - [ -0.0094598000000000, -0.0000475000000000, -0.0029306200000000 ] - [ -0.0094440700000000, 0.0000000000000000, -0.0031348700000000 ] - [ -0.0094598000000000, 0.0000475000000000, -0.0029306200000000 ] - [ -0.0118322500000000, -0.0004335100000000, 0.0047322800000000 ] - [ -0.0112151600000000, 0.0000000000000000, 0.0046134600000000 ] - [ -0.0118322500000000, 0.0004335100000000, 0.0047322800000000 ] - [ -0.0026173800000000, -0.0009775900000000, 0.0091636300000000 ] - [ -0.0033666300000000, 0.0000000000000000, 0.0083908900000000 ] - [ -0.0026173800000000, 0.0009775900000000, 0.0091636300000000 ] - [ -0.0246418800000000, -0.0009005400000000, 0.0042306300000000 ] - [ -0.0064074500000000, 0.0000000000000000, 0.0047118300000000 ] - [ -0.0246418800000000, 0.0009005400000000, 0.0042306300000000 ] - [ -0.0055640900000000, -0.0001618000000000, 0.0055809700000000 ] - [ -0.0062315100000000, 0.0000000000000000, 0.0057937000000000 ] - [ -0.0055640900000000, 0.0001618000000000, 0.0055809700000000 ] - [ -0.0083104200000000, -0.0001344500000000, 0.0058271500000000 ] - [ -0.0076545100000000, 0.0000000000000000, 0.0052918300000000 ] - [ -0.0083104200000000, 0.0001344500000000, 0.0058271500000000 ] - [ 0.0084574600000000, -0.0010250000000000, 0.0037866600000000 ] - [ -0.0064368500000000, 0.0000000000000000, 0.0034152400000000 ] - [ 0.0084574600000000, 0.0010250000000000, 0.0037866600000000 ] - [ -0.0069592400000000, -0.0000156300000000, 0.0047280100000000 ] - [ -0.0069697800000000, 0.0000000000000000, 0.0047451700000000 ] - [ -0.0069592400000000, 0.0000156300000000, 0.0047280100000000 ] - [ -0.0087525900000000, -0.0000286000000000, 0.0027043100000000 ] - [ -0.0087594700000000, 0.0000000000000000, 0.0025985700000000 ] - [ -0.0087525900000000, 0.0000286000000000, 0.0027043100000000 ] - [ -0.0069915300000000, -0.0000152100000000, 0.0052840500000000 ] - [ -0.0069791400000000, 0.0000000000000000, 0.0053094700000000 ] - [ -0.0069915300000000, 0.0000152100000000, 0.0052840500000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004810100000000, 0.0053410700000000, -0.0001105600000000 ] - [ -0.0014965700000000, -0.0020592000000000, 0.0015207900000000 ] - [ 0.0004163500000000, -0.0020625700000000, -0.0016382400000000 ] - [ -0.0001338200000000, 0.0006843600000000, 0.0000566900000000 ] - [ -0.0002431800000000, -0.0003398500000000, 0.0003435000000000 ] - [ -0.0000241700000000, -0.0003419600000000, -0.0002262800000000 ] - [ -0.0001543300000000, 0.0006864400000000, 0.0003082300000000 ] - [ -0.0000483800000000, -0.0003387600000000, 0.0006217100000000 ] - [ -0.0002593400000000, -0.0003411500000000, -0.0000012500000000 ] - [ 0.0041186900000000, -0.1832615400000000, -0.0034985500000000 ] - [ 0.0013873000000000, 0.0406179000000000, -0.0017019300000000 ] - [ 0.0075405600000000, 0.0402068900000000, -0.0056580700000000 ] - [ 0.0096325900000000, -0.0093875100000000, -0.0034421900000000 ] - [ 0.0100058700000000, 0.0053365200000000, -0.0058655600000000 ] - [ 0.0092671900000000, 0.0053439100000000, -0.0010410300000000 ] - [ 0.0013888300000000, -0.0043393400000000, -0.0072018800000000 ] - [ 0.0012555600000000, 0.0021432800000000, -0.0077740300000000 ] - [ 0.0015023800000000, 0.0021644300000000, -0.0066578000000000 ] - [ -0.0007170800000000, 0.0111743800000000, 0.0283666600000000 ] - [ -0.0006475800000000, 0.0048495900000000, -0.0012625900000000 ] - [ -0.0005810000000000, 0.0112405000000000, -0.0307457400000000 ] - [ 0.0302287400000000, 0.0103213500000000, 0.0018241400000000 ] - [ 0.0020050200000000, 0.0050829700000000, 0.0002611300000000 ] - [ -0.0258447600000000, 0.0103926300000000, -0.0013027700000000 ] - [ 0.0001531800000000, -0.0011235400000000, -0.0063992900000000 ] - [ -0.0003187000000000, 0.0022094300000000, -0.0019869100000000 ] - [ -0.0007703800000000, -0.0010915000000000, 0.0024453900000000 ] - [ -0.0202286200000000, 0.0094996400000000, 0.0014154600000000 ] - [ 0.0019305500000000, 0.0058979400000000, 0.0000583400000000 ] - [ 0.0240225300000000, 0.0095671500000000, -0.0012824500000000 ] - [ -0.0042784500000000, 0.0096821800000000, -0.0304430200000000 ] - [ -0.0000552900000000, 0.0043476000000000, -0.0013607400000000 ] - [ 0.0041350200000000, 0.0097489500000000, 0.0274861200000000 ] - [ 0.0042481900000000, -0.0007843800000000, 0.0017983500000000 ] - [ 0.0022833700000000, 0.0014836300000000, -0.0000871600000000 ] - [ 0.0003186200000000, -0.0007644100000000, -0.0019916600000000 ] - [ 0.0010021900000000, -0.0012540500000000, 0.0034950800000000 ] - [ 0.0003454200000000, 0.0023248300000000, -0.0012188400000000 ] - [ -0.0003046700000000, -0.0012168300000000, -0.0059417500000000 ] - [ -0.0005960700000000, -0.0001044800000000, -0.0020151900000000 ] - [ -0.0005054900000000, 0.0003337600000000, -0.0019486800000000 ] - [ -0.0004148200000000, -0.0001045500000000, -0.0018834500000000 ] - [ 0.0026025000000000, -0.0001375000000000, 0.0007738200000000 ] - [ 0.0024829000000000, 0.0002715900000000, 0.0005389700000000 ] - [ 0.0023628300000000, -0.0001359200000000, 0.0003013200000000 ] - [ -0.0004044500000000, -0.0002972800000000, 0.0004440300000000 ] - [ -0.0004775200000000, 0.0005879700000000, -0.0011552900000000 ] - [ -0.0005504400000000, -0.0002906700000000, -0.0027736700000000 ] - [ 0.0013035800000000, -0.0007635200000000, 0.0020476300000000 ] - [ 0.0026022200000000, 0.0014702500000000, 0.0004455400000000 ] - [ 0.0039071600000000, -0.0007390700000000, -0.0011777700000000 ] - [ 0.0000072400000000, -0.0003590000000000, 0.0015893100000000 ] - [ 0.0001314200000000, 0.0012765400000000, -0.0015039200000000 ] - [ 0.0002553800000000, -0.0003553000000000, -0.0046122600000000 ] - [ 0.0030376500000000, -0.0001041100000000, -0.0007024100000000 ] - [ 0.0029359100000000, 0.0002035700000000, -0.0003520200000000 ] - [ 0.0028348600000000, -0.0001034200000000, 0.0000003700000000 ] - [ -0.0002622500000000, -0.0001135700000000, -0.0015335800000000 ] - [ -0.0002815800000000, 0.0002269900000000, -0.0014177800000000 ] - [ -0.0003009800000000, -0.0001126200000000, -0.0013030700000000 ] - [ 0.0031620800000000, -0.0005494700000000, -0.0021357700000000 ] - [ 0.0014210400000000, 0.0010889500000000, -0.0001862900000000 ] - [ -0.0003143700000000, -0.0005366800000000, 0.0017754400000000 ] - [ 0.0004343200000000, -0.0002284700000000, -0.0024094600000000 ] - [ 0.0004189900000000, 0.0004553100000000, -0.0004599800000000 ] - [ 0.0004042100000000, -0.0002245800000000, 0.0015057800000000 ] - [ 0.0022509700000000, -0.0001075700000000, -0.0005036900000000 ] - [ 0.0023485700000000, 0.0002082800000000, -0.0001672500000000 ] - [ 0.0024459900000000, -0.0001069800000000, 0.0001711900000000 ] - [ -0.0001343400000000, -0.0003462800000000, -0.0063584400000000 ] - [ -0.0001252400000000, 0.0011953900000000, -0.0020761600000000 ] - [ -0.0001170000000000, -0.0003447800000000, 0.0022126700000000 ] - [ 0.0023718300000000, -0.0001468700000000, 0.0004194300000000 ] - [ 0.0024296300000000, 0.0002822400000000, 0.0001853100000000 ] - [ 0.0024881100000000, -0.0001450200000000, -0.0000516500000000 ] - [ 0.0008738300000000, -0.0006700400000000, -0.0016801300000000 ] - [ 0.0024086100000000, 0.0012291400000000, 0.0002579600000000 ] - [ 0.0039405600000000, -0.0006564400000000, 0.0022051300000000 ] - [ 0.0055237200000000, -0.0089390400000000, -0.0034804500000000 ] - [ 0.0054825300000000, 0.0051243600000000, -0.0011266000000000 ] - [ 0.0055705600000000, 0.0051486100000000, -0.0058033600000000 ] - [ 0.0046497300000000, -0.0010771300000000, -0.0034087200000000 ] - [ 0.0046605600000000, 0.0005847400000000, -0.0032714300000000 ] - [ 0.0046394100000000, 0.0005887300000000, -0.0035443300000000 ] - [ 0.0049685200000000, -0.0157673300000000, -0.0025741500000000 ] - [ 0.0057989000000000, 0.0090188200000000, -0.0024731800000000 ] - [ 0.0041240200000000, 0.0090418800000000, -0.0026810800000000 ] - [ 0.0069224100000000, -0.0012748400000000, -0.0006734900000000 ] - [ 0.0069284500000000, 0.0006881000000000, -0.0008355500000000 ] - [ 0.0069165100000000, 0.0006911200000000, -0.0005122900000000 ] - [ 0.0047210700000000, -0.0036708900000000, -0.0043564700000000 ] - [ 0.0048299700000000, 0.0018083300000000, -0.0036399600000000 ] - [ 0.0046114700000000, 0.0018329400000000, -0.0050254700000000 ] - [ 0.0052021300000000, -0.0009060600000000, -0.0040018200000000 ] - [ 0.0052202900000000, 0.0004534200000000, -0.0038846600000000 ] - [ 0.0051840600000000, 0.0004577300000000, -0.0041166800000000 ] - [ 0.0068773900000000, -0.0010085400000000, 0.0043664200000000 ] - [ 0.0068921100000000, 0.0005033800000000, 0.0042808200000000 ] - [ 0.0068627800000000, 0.0005067200000000, 0.0044516700000000 ] - [ 0.0003334200000000, 0.0126083900000000, 0.0000065200000000 ] - [ 0.0030566700000000, -0.0041779600000000, 0.0023313100000000 ] - [ -0.0021665800000000, -0.0041982300000000, -0.0021012300000000 ] - [ -0.0001963800000000, 0.0116672500000000, 0.0001682100000000 ] - [ -0.0024288600000000, -0.0043211100000000, -0.0032224600000000 ] - [ 0.0018084200000000, -0.0043373400000000, 0.0033628600000000 ] - [ -0.0003965400000000, 0.0014133600000000, -0.0001614400000000 ] - [ -0.0006210300000000, -0.0006997000000000, -0.0008492600000000 ] - [ -0.0001723700000000, -0.0007057200000000, 0.0005125300000000 ] - [ -0.0001330600000000, 0.0106277100000000, 0.0001521700000000 ] - [ 0.0019709200000000, -0.0034860400000000, -0.0026063900000000 ] - [ -0.0020248800000000, -0.0035127400000000, 0.0026794400000000 ] - [ -0.0005805300000000, 0.0012463700000000, 0.0000484400000000 ] - [ -0.0003493700000000, -0.0006146600000000, -0.0006140700000000 ] - [ -0.0008116700000000, -0.0006215500000000, 0.0006952400000000 ] - [ 0.0000896000000000, 0.0004840300000000, 0.0000312500000000 ] - [ 0.0000803200000000, -0.0002413400000000, 0.0000349800000000 ] - [ 0.0000991300000000, -0.0002429300000000, 0.0000264800000000 ] - [ -0.0006067300000000, 0.0004814000000000, -0.0001610200000000 ] - [ -0.0005953600000000, -0.0002412600000000, -0.0001571700000000 ] - [ -0.0006178100000000, -0.0002429900000000, -0.0001643000000000 ] - [ -0.0095656100000000, 0.0004466300000000, -0.0020454700000000 ] - [ -0.0094369900000000, -0.0008905900000000, -0.0033027900000000 ] - [ -0.0093084800000000, 0.0004432400000000, -0.0045702900000000 ] - [ -0.0131591600000000, 0.0038494800000000, 0.0237324000000000 ] - [ -0.0111847400000000, -0.0084319100000000, 0.0052177500000000 ] - [ -0.0092156900000000, 0.0038088500000000, -0.0132984000000000 ] - [ -0.0032245900000000, 0.0020822400000000, 0.0130022200000000 ] - [ -0.0034624900000000, -0.0041075500000000, 0.0085042000000000 ] - [ -0.0037064800000000, 0.0020374200000000, 0.0039638000000000 ] - [ -0.0004202900000000, 0.0118049100000000, -0.0001035800000000 ] - [ -0.0059720500000000, -0.0327380100000000, 0.0049093800000000 ] - [ -0.0112847200000000, 0.0068927500000000, 0.0097202000000000 ] - [ -0.0068265100000000, 0.0016984900000000, 0.0017479000000000 ] - [ -0.0063958500000000, -0.0033344100000000, 0.0057511400000000 ] - [ -0.0059731900000000, 0.0016469000000000, 0.0097968400000000 ] - [ -0.0076749800000000, 0.0032547400000000, -0.0121167100000000 ] - [ -0.0075224500000000, -0.0073627400000000, 0.0047471800000000 ] - [ -0.0073674600000000, 0.0032146100000000, 0.0216698600000000 ] - [ -0.0096224000000000, 0.0059564200000000, 0.0034331100000000 ] - [ -0.0067679600000000, -0.0131942700000000, 0.0036333100000000 ] - [ -0.0040628000000000, 0.0058898000000000, 0.0038191200000000 ] - [ -0.0069368800000000, 0.0003849400000000, 0.0031163700000000 ] - [ -0.0069552800000000, -0.0009392700000000, 0.0044804600000000 ] - [ -0.0069731700000000, 0.0003830900000000, 0.0058565800000000 ] - [ -0.0086103000000000, 0.0004464800000000, 0.0043208800000000 ] - [ -0.0087609400000000, -0.0010583700000000, 0.0025136300000000 ] - [ -0.0089121500000000, 0.0004439000000000, 0.0006989100000000 ] - [ -0.0070295400000000, 0.0003899800000000, 0.0042838900000000 ] - [ -0.0069995200000000, -0.0007804400000000, 0.0051545000000000 ] - [ -0.0069698800000000, 0.0003858600000000, 0.0060350800000000 ]- atom: 10 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ 0.0028180600000000, 0.0000000000000000, -0.0007253800000000 ] - [ -0.0001892800000000, 0.0003389100000000, 0.0003927900000000 ] - [ -0.0001892800000000, -0.0003389100000000, 0.0003927900000000 ] - [ 0.0000260200000000, 0.0000000000000000, -0.0004684300000000 ] - [ -0.0000019700000000, 0.0001132100000000, -0.0003043900000000 ] - [ -0.0000019700000000, -0.0001132100000000, -0.0003043900000000 ] - [ -0.0003035600000000, 0.0000000000000000, -0.0002815200000000 ] - [ -0.0002743800000000, 0.0001198600000000, -0.0001012200000000 ] - [ -0.0002743800000000, -0.0001198600000000, -0.0001012200000000 ] - [ 0.0029462000000000, 0.0000000000000000, -0.0631856100000000 ] - [ 0.0046389800000000, -0.0020384000000000, -0.0037083500000000 ] - [ 0.0046389800000000, 0.0020384000000000, -0.0037083500000000 ] - [ 0.0093328100000000, 0.0000000000000000, -0.0015504200000000 ] - [ 0.0096385100000000, -0.0024760400000000, -0.0023043600000000 ] - [ 0.0096385100000000, 0.0024760400000000, -0.0023043600000000 ] - [ 0.0020291400000000, 0.0000000000000000, -0.0063942300000000 ] - [ 0.0013827500000000, -0.0007672700000000, -0.0072274600000000 ] - [ 0.0013827500000000, 0.0007672700000000, -0.0072274600000000 ] - [ -0.0000516300000000, 0.0147057500000000, 0.0084405500000000 ] - [ -0.0006102700000000, 0.0000000000000000, -0.0037154100000000 ] - [ -0.0000516300000000, -0.0147057500000000, 0.0084405500000000 ] - [ 0.0000016100000000, -0.0007936400000000, -0.0047266400000000 ] - [ 0.0015614200000000, 0.0000000000000000, -0.0004872500000000 ] - [ 0.0000016100000000, 0.0007936400000000, -0.0047266400000000 ] - [ 0.0002606700000000, -0.0008076300000000, -0.0041718100000000 ] - [ -0.0000860300000000, 0.0000000000000000, -0.0034116600000000 ] - [ 0.0002606700000000, 0.0008076300000000, -0.0041718100000000 ] - [ 0.0016113200000000, 0.0007237000000000, -0.0047119800000000 ] - [ 0.0022163300000000, 0.0000000000000000, -0.0010079300000000 ] - [ 0.0016113200000000, -0.0007237000000000, -0.0047119800000000 ] - [ 0.0012346900000000, -0.0130778400000000, 0.0075859000000000 ] - [ -0.0002526300000000, 0.0000000000000000, -0.0028757600000000 ] - [ 0.0012346900000000, 0.0130778400000000, 0.0075859000000000 ] - [ 0.0035313300000000, 0.0005954700000000, 0.0006192600000000 ] - [ 0.0026825100000000, 0.0000000000000000, -0.0002311500000000 ] - [ 0.0035313300000000, -0.0005954700000000, 0.0006192600000000 ] - [ 0.0004647700000000, 0.0010771600000000, -0.0038961800000000 ] - [ 0.0004083300000000, 0.0000000000000000, -0.0030046400000000 ] - [ 0.0004647700000000, -0.0010771600000000, -0.0038961800000000 ] - [ -0.0004910100000000, 0.0000069300000000, 0.0000880600000000 ] - [ -0.0004900800000000, 0.0000000000000000, -0.0002750800000000 ] - [ -0.0004910100000000, -0.0000069300000000, 0.0000880600000000 ] - [ 0.0025919100000000, 0.0000470800000000, 0.0011940000000000 ] - [ 0.0025664900000000, 0.0000000000000000, 0.0010394600000000 ] - [ 0.0025919100000000, -0.0000470800000000, 0.0011940000000000 ] - [ -0.0003979000000000, 0.0002144900000000, 0.0002923500000000 ] - [ -0.0004236700000000, 0.0000000000000000, -0.0004596000000000 ] - [ -0.0003979000000000, -0.0002144900000000, 0.0002923500000000 ] - [ 0.0015056400000000, 0.0007728000000000, 0.0011766700000000 ] - [ 0.0022550600000000, 0.0000000000000000, 0.0002963400000000 ] - [ 0.0015056400000000, -0.0007728000000000, 0.0011766700000000 ] - [ 0.0001207900000000, 0.0004206900000000, 0.0010825400000000 ] - [ 0.0001537500000000, 0.0000000000000000, -0.0001264700000000 ] - [ 0.0001207900000000, -0.0004206900000000, 0.0010825400000000 ] - [ 0.0028400100000000, -0.0000196300000000, 0.0003192600000000 ] - [ 0.0028640800000000, 0.0000000000000000, 0.0001568800000000 ] - [ 0.0028400100000000, 0.0000196300000000, 0.0003192600000000 ] - [ -0.0002921000000000, 0.0000035600000000, 0.0003161000000000 ] - [ -0.0002902400000000, 0.0000000000000000, 0.0000129900000000 ] - [ -0.0002921000000000, -0.0000035600000000, 0.0003161000000000 ] - [ 0.0001981800000000, -0.0004042500000000, 0.0003476500000000 ] - [ 0.0009974700000000, 0.0000000000000000, -0.0002431400000000 ] - [ 0.0001981800000000, 0.0004042500000000, 0.0003476500000000 ] - [ 0.0002952300000000, -0.0001238800000000, 0.0013948000000000 ] - [ 0.0003320800000000, 0.0000000000000000, 0.0007158300000000 ] - [ 0.0002952300000000, 0.0001238800000000, 0.0013948000000000 ] - [ 0.0024670100000000, -0.0000261800000000, 0.0004390000000000 ] - [ 0.0024314300000000, 0.0000000000000000, 0.0002784300000000 ] - [ 0.0024670100000000, 0.0000261800000000, 0.0004390000000000 ] - [ -0.0001914000000000, -0.0003164200000000, 0.0012068300000000 ] - [ -0.0001751900000000, 0.0000000000000000, -0.0002907600000000 ] - [ -0.0001914000000000, 0.0003164200000000, 0.0012068300000000 ] - [ 0.0023753200000000, 0.0000522000000000, 0.0008384200000000 ] - [ 0.0023761400000000, 0.0000000000000000, 0.0006789700000000 ] - [ 0.0023753200000000, -0.0000522000000000, 0.0008384200000000 ] - [ 0.0035761000000000, -0.0004317700000000, 0.0009188500000000 ] - [ 0.0028263600000000, 0.0000000000000000, 0.0002438900000000 ] - [ 0.0035761000000000, 0.0004317700000000, 0.0009188500000000 ] - [ 0.0056339800000000, 0.0000000000000000, -0.0015901300000000 ] - [ 0.0053850500000000, 0.0027810200000000, -0.0023215700000000 ] - [ 0.0053850500000000, -0.0027810200000000, -0.0023215700000000 ] - [ 0.0046390300000000, 0.0000000000000000, -0.0026332800000000 ] - [ 0.0046378500000000, 0.0001685600000000, -0.0027217300000000 ] - [ 0.0046378500000000, -0.0001685600000000, -0.0027217300000000 ] - [ 0.0052992000000000, 0.0000000000000000, -0.0054215900000000 ] - [ 0.0048914200000000, 0.0000271000000000, -0.0035417600000000 ] - [ 0.0048914200000000, -0.0000271000000000, -0.0035417600000000 ] - [ 0.0069663200000000, 0.0000000000000000, 0.0001079300000000 ] - [ 0.0069660800000000, -0.0001639800000000, 0.0000354300000000 ] - [ 0.0069660800000000, 0.0001639800000000, 0.0000354300000000 ] - [ 0.0046070400000000, 0.0000000000000000, -0.0028094300000000 ] - [ 0.0047184200000000, 0.0008310600000000, -0.0043960600000000 ] - [ 0.0047184200000000, -0.0008310600000000, -0.0043960600000000 ] - [ 0.0052202000000000, 0.0000000000000000, -0.0033777500000000 ] - [ 0.0052105100000000, 0.0001554500000000, -0.0034693600000000 ] - [ 0.0052105100000000, -0.0001554500000000, -0.0034693600000000 ] - [ 0.0068544900000000, 0.0000000000000000, 0.0049074700000000 ] - [ 0.0068585000000000, -0.0001279300000000, 0.0048531200000000 ] - [ 0.0068585000000000, 0.0001279300000000, 0.0048531200000000 ] - [ -0.0031088500000000, 0.0000000000000000, 0.0039057000000000 ] - [ -0.0007045700000000, 0.0011226800000000, 0.0011982700000000 ] - [ -0.0007045700000000, -0.0011226800000000, 0.0011982700000000 ] - [ -0.0047880300000000, 0.0000000000000000, 0.0013376100000000 ] - [ -0.0010474900000000, -0.0008604800000000, 0.0016643600000000 ] - [ -0.0010474900000000, 0.0008604800000000, 0.0016643600000000 ] - [ -0.0006307700000000, 0.0000000000000000, -0.0013361500000000 ] - [ -0.0006402300000000, -0.0003012800000000, -0.0008357100000000 ] - [ -0.0006402300000000, 0.0003012800000000, -0.0008357100000000 ] - [ 0.0014399200000000, 0.0000000000000000, 0.0040865200000000 ] - [ 0.0007160400000000, -0.0009952400000000, 0.0015436000000000 ] - [ 0.0007160400000000, 0.0009952400000000, 0.0015436000000000 ] - [ -0.0003539100000000, 0.0000000000000000, -0.0011453500000000 ] - [ -0.0003404500000000, -0.0002716800000000, -0.0006202200000000 ] - [ -0.0003404500000000, 0.0002716800000000, -0.0006202200000000 ] - [ 0.0000954300000000, 0.0000000000000000, -0.0008659500000000 ] - [ 0.0000940900000000, -0.0000029900000000, -0.0007777800000000 ] - [ 0.0000940900000000, 0.0000029900000000, -0.0007777800000000 ] - [ -0.0006165000000000, 0.0000000000000000, -0.0009777600000000 ] - [ -0.0006142500000000, -0.0000054400000000, -0.0008966300000000 ] - [ -0.0006142500000000, 0.0000054400000000, -0.0008966300000000 ] - [ -0.0092342700000000, 0.0001133300000000, -0.0059236900000000 ] - [ -0.0092952900000000, 0.0000000000000000, -0.0052783600000000 ] - [ -0.0092342700000000, -0.0001133300000000, -0.0059236900000000 ] - [ -0.0099782100000000, 0.0021894300000000, -0.0032225100000000 ] - [ -0.0110271100000000, 0.0000000000000000, 0.0049042000000000 ] - [ -0.0099782100000000, -0.0021894300000000, -0.0032225100000000 ] - [ -0.0036004200000000, 0.0014563500000000, 0.0079431400000000 ] - [ -0.0034627300000000, 0.0000000000000000, 0.0085240100000000 ] - [ -0.0036004200000000, -0.0014563500000000, 0.0079431400000000 ] - [ -0.0052346000000000, -0.0001500800000000, 0.0254959000000000 ] - [ -0.0056074000000000, 0.0000000000000000, 0.0082805500000000 ] - [ -0.0052346000000000, 0.0001500800000000, 0.0254959000000000 ] - [ -0.0062369000000000, -0.0017516000000000, 0.0058594900000000 ] - [ -0.0063469700000000, 0.0000000000000000, 0.0064322100000000 ] - [ -0.0062369000000000, 0.0017516000000000, 0.0058594900000000 ] - [ -0.0077636200000000, -0.0021662000000000, -0.0029612000000000 ] - [ -0.0076591700000000, 0.0000000000000000, 0.0055525300000000 ] - [ -0.0077636200000000, 0.0021662000000000, -0.0029612000000000 ] - [ -0.0060611600000000, -0.0002876400000000, 0.0085045900000000 ] - [ -0.0069340400000000, 0.0000000000000000, 0.0061911200000000 ] - [ -0.0060611600000000, 0.0002876400000000, 0.0085045900000000 ] - [ -0.0069394400000000, -0.0001491500000000, 0.0017066200000000 ] - [ -0.0069492300000000, 0.0000000000000000, 0.0024295200000000 ] - [ -0.0069394400000000, 0.0001491500000000, 0.0017066200000000 ] - [ -0.0089481300000000, 0.0001206100000000, -0.0005875300000000 ] - [ -0.0088900500000000, 0.0000000000000000, 0.0002044600000000 ] - [ -0.0089481300000000, -0.0001206100000000, -0.0005875300000000 ] - [ -0.0070899600000000, -0.0001374000000000, 0.0030653700000000 ] - [ -0.0070564000000000, 0.0000000000000000, 0.0036939700000000 ] - [ -0.0070899600000000, 0.0001374000000000, 0.0030653700000000 ]- atom: 10 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0038706300000000, 0.0000000000000000, 0.0005551200000000 ] - [ -0.0008798700000000, -0.0003391100000000, -0.0005360900000000 ] - [ -0.0008798700000000, 0.0003391100000000, -0.0005360900000000 ] - [ -0.0002918100000000, 0.0000000000000000, 0.0005858200000000 ] - [ -0.0002640000000000, -0.0001141100000000, 0.0004199400000000 ] - [ -0.0002640000000000, 0.0001141100000000, 0.0004199400000000 ] - [ -0.0000072500000000, 0.0000000000000000, 0.0009028100000000 ] - [ -0.0000356800000000, -0.0001208600000000, 0.0007207500000000 ] - [ -0.0000356800000000, 0.0001208600000000, 0.0007207500000000 ] - [ 0.0064272900000000, 0.0000000000000000, 0.0557057500000000 ] - [ 0.0043514000000000, 0.0019229300000000, -0.0037050800000000 ] - [ 0.0043514000000000, -0.0019229300000000, -0.0037050800000000 ] - [ 0.0099433400000000, 0.0000000000000000, -0.0053469200000000 ] - [ 0.0096337300000000, 0.0025007000000000, -0.0045901300000000 ] - [ 0.0096337300000000, -0.0025007000000000, -0.0045901300000000 ] - [ 0.0007212100000000, 0.0000000000000000, -0.0080429000000000 ] - [ 0.0013764600000000, 0.0007744500000000, -0.0071977600000000 ] - [ 0.0013764600000000, -0.0007744500000000, -0.0071977600000000 ] - [ -0.0012348000000000, -0.0145087500000000, -0.0109828800000000 ] - [ -0.0006841100000000, 0.0000000000000000, 0.0010675600000000 ] - [ -0.0012348000000000, 0.0145087500000000, -0.0109828800000000 ] - [ 0.0038499500000000, 0.0007397600000000, 0.0052407600000000 ] - [ 0.0023615700000000, 0.0000000000000000, 0.0009969800000000 ] - [ 0.0038499500000000, -0.0007397600000000, 0.0052407600000000 ] - [ -0.0009037400000000, 0.0008183500000000, 0.0002421000000000 ] - [ -0.0005519500000000, 0.0000000000000000, -0.0005251500000000 ] - [ -0.0009037400000000, -0.0008183500000000, 0.0002421000000000 ] - [ 0.0023819900000000, -0.0007881700000000, 0.0048092800000000 ] - [ 0.0016922300000000, 0.0000000000000000, 0.0011166800000000 ] - [ 0.0023819900000000, 0.0007881700000000, 0.0048092800000000 ] - [ -0.0013483600000000, 0.0132638900000000, -0.0103123900000000 ] - [ 0.0001549900000000, 0.0000000000000000, 0.0002592000000000 ] - [ -0.0013483600000000, -0.0132638900000000, -0.0103123900000000 ] - [ 0.0010317400000000, -0.0005891200000000, -0.0008043500000000 ] - [ 0.0018781400000000, 0.0000000000000000, 0.0000400400000000 ] - [ 0.0010317400000000, 0.0005891200000000, -0.0008043500000000 ] - [ 0.0002223200000000, -0.0010621300000000, 0.0013990500000000 ] - [ 0.0002783000000000, 0.0000000000000000, 0.0005157700000000 ] - [ 0.0002223200000000, 0.0010621300000000, 0.0013990500000000 ] - [ -0.0005197200000000, -0.0000056900000000, -0.0039786100000000 ] - [ -0.0005204300000000, 0.0000000000000000, -0.0036160300000000 ] - [ -0.0005197200000000, 0.0000056900000000, -0.0039786100000000 ] - [ 0.0023726200000000, -0.0000464800000000, -0.0001150000000000 ] - [ 0.0023985100000000, 0.0000000000000000, 0.0000386300000000 ] - [ 0.0023726200000000, 0.0000464800000000, -0.0001150000000000 ] - [ -0.0005578100000000, -0.0002121100000000, -0.0026055800000000 ] - [ -0.0005314900000000, 0.0000000000000000, -0.0018622100000000 ] - [ -0.0005578100000000, 0.0002121100000000, -0.0026055800000000 ] - [ 0.0037019900000000, -0.0007638900000000, -0.0002920100000000 ] - [ 0.0029533000000000, 0.0000000000000000, 0.0005800500000000 ] - [ 0.0037019900000000, 0.0007638900000000, -0.0002920100000000 ] - [ 0.0001430600000000, -0.0004139700000000, -0.0040957200000000 ] - [ 0.0001100400000000, 0.0000000000000000, -0.0028967200000000 ] - [ 0.0001430600000000, 0.0004139700000000, -0.0040957200000000 ] - [ 0.0030321000000000, 0.0000199300000000, -0.0010200900000000 ] - [ 0.0030082700000000, 0.0000000000000000, -0.0008566100000000 ] - [ 0.0030321000000000, -0.0000199300000000, -0.0010200900000000 ] - [ -0.0002711800000000, -0.0000030100000000, -0.0031459400000000 ] - [ -0.0002730900000000, 0.0000000000000000, -0.0028420300000000 ] - [ -0.0002711800000000, 0.0000030100000000, -0.0031459400000000 ] - [ 0.0026384900000000, 0.0004079400000000, -0.0007095600000000 ] - [ 0.0018356700000000, 0.0000000000000000, -0.0001158500000000 ] - [ 0.0026384900000000, -0.0004079400000000, -0.0007095600000000 ] - [ 0.0005426200000000, 0.0001252000000000, -0.0022998400000000 ] - [ 0.0005057100000000, 0.0000000000000000, -0.0016153600000000 ] - [ 0.0005426200000000, -0.0001252000000000, -0.0022998400000000 ] - [ 0.0022299900000000, 0.0000265700000000, -0.0007702100000000 ] - [ 0.0022655600000000, 0.0000000000000000, -0.0006088400000000 ] - [ 0.0022299900000000, -0.0000265700000000, -0.0007702100000000 ] - [ -0.0000589800000000, 0.0003218200000000, -0.0053365500000000 ] - [ -0.0000754100000000, 0.0000000000000000, -0.0038275200000000 ] - [ -0.0000589800000000, -0.0003218200000000, -0.0053365500000000 ] - [ 0.0024852500000000, -0.0000517300000000, -0.0004665400000000 ] - [ 0.0024832900000000, 0.0000000000000000, -0.0003078500000000 ] - [ 0.0024852500000000, 0.0000517300000000, -0.0004665400000000 ] - [ 0.0012460800000000, 0.0004355100000000, -0.0003938600000000 ] - [ 0.0019984100000000, 0.0000000000000000, 0.0002847600000000 ] - [ 0.0012460800000000, -0.0004355100000000, -0.0003938600000000 ] - [ 0.0054236500000000, 0.0000000000000000, -0.0053408400000000 ] - [ 0.0056676500000000, -0.0027529000000000, -0.0046116400000000 ] - [ 0.0056676500000000, 0.0027529000000000, -0.0046116400000000 ] - [ 0.0046606900000000, 0.0000000000000000, -0.0041798200000000 ] - [ 0.0046620900000000, -0.0001662900000000, -0.0040914100000000 ] - [ 0.0046620900000000, 0.0001662900000000, -0.0040914100000000 ] - [ 0.0045894100000000, 0.0000000000000000, 0.0002543000000000 ] - [ 0.0050016500000000, -0.0000396500000000, -0.0016202800000000 ] - [ 0.0050016500000000, 0.0000396500000000, -0.0016202800000000 ] - [ 0.0068794400000000, 0.0000000000000000, -0.0014527200000000 ] - [ 0.0068795700000000, 0.0001660300000000, -0.0013807400000000 ] - [ 0.0068795700000000, -0.0001660300000000, -0.0013807400000000 ] - [ 0.0048280900000000, 0.0000000000000000, -0.0058398900000000 ] - [ 0.0047207900000000, -0.0008219700000000, -0.0042780400000000 ] - [ 0.0047207900000000, 0.0008219700000000, -0.0042780400000000 ] - [ 0.0051844500000000, 0.0000000000000000, -0.0046209600000000 ] - [ 0.0051938700000000, -0.0001529800000000, -0.0045300000000000 ] - [ 0.0051938700000000, 0.0001529800000000, -0.0045300000000000 ] - [ 0.0068998000000000, 0.0000000000000000, 0.0038260200000000 ] - [ 0.0068958100000000, 0.0001298300000000, 0.0038807900000000 ] - [ 0.0068958100000000, -0.0001298300000000, 0.0038807900000000 ] - [ 0.0037353500000000, 0.0000000000000000, -0.0039274400000000 ] - [ 0.0015652600000000, -0.0011280200000000, -0.0010037600000000 ] - [ 0.0015652600000000, 0.0011280200000000, -0.0010037600000000 ] - [ 0.0042985500000000, 0.0000000000000000, -0.0010191700000000 ] - [ 0.0004453200000000, 0.0008578700000000, -0.0014614800000000 ] - [ 0.0004453200000000, -0.0008578700000000, -0.0014614800000000 ] - [ -0.0001606800000000, 0.0000000000000000, 0.0009946300000000 ] - [ -0.0001533800000000, 0.0002980700000000, 0.0004984000000000 ] - [ -0.0001533800000000, -0.0002980700000000, 0.0004984000000000 ] - [ -0.0017537800000000, 0.0000000000000000, -0.0037347500000000 ] - [ -0.0007888100000000, 0.0009898200000000, -0.0014217000000000 ] - [ -0.0007888100000000, -0.0009898200000000, -0.0014217000000000 ] - [ -0.0008085600000000, 0.0000000000000000, 0.0012205600000000 ] - [ -0.0008202200000000, 0.0002692000000000, 0.0007002800000000 ] - [ -0.0008202200000000, -0.0002692000000000, 0.0007002800000000 ] - [ 0.0000843100000000, 0.0000000000000000, 0.0009229600000000 ] - [ 0.0000859400000000, 0.0000023400000000, 0.0008348100000000 ] - [ 0.0000859400000000, -0.0000023400000000, 0.0008348100000000 ] - [ -0.0005981000000000, 0.0000000000000000, 0.0006523300000000 ] - [ -0.0005999500000000, 0.0000047000000000, 0.0005720200000000 ] - [ -0.0005999500000000, -0.0000047000000000, 0.0005720200000000 ] - [ -0.0096390700000000, -0.0001146700000000, -0.0006962900000000 ] - [ -0.0095767100000000, 0.0000000000000000, -0.0013452100000000 ] - [ -0.0096390700000000, 0.0001146700000000, -0.0006962900000000 ] - [ -0.0123939500000000, -0.0022174300000000, 0.0136284900000000 ] - [ -0.0113333800000000, 0.0000000000000000, 0.0054352900000000 ] - [ -0.0123939500000000, 0.0022174300000000, 0.0136284900000000 ] - [ -0.0033246600000000, -0.0014731500000000, 0.0090260900000000 ] - [ -0.0034652800000000, 0.0000000000000000, 0.0084387800000000 ] - [ -0.0033246600000000, 0.0014731500000000, 0.0090260900000000 ] - [ -0.0067317800000000, -0.0000585600000000, -0.0156408200000000 ] - [ -0.0063232400000000, 0.0000000000000000, 0.0015526000000000 ] - [ -0.0067317800000000, 0.0000585600000000, -0.0156408200000000 ] - [ -0.0065517100000000, 0.0017275500000000, 0.0056826400000000 ] - [ -0.0064408600000000, 0.0000000000000000, 0.0051139300000000 ] - [ -0.0065517100000000, -0.0017275500000000, 0.0056826400000000 ] - [ -0.0072829000000000, 0.0021336400000000, 0.0124759500000000 ] - [ -0.0073870600000000, 0.0000000000000000, 0.0040317100000000 ] - [ -0.0072829000000000, -0.0021336400000000, 0.0124759500000000 ] - [ -0.0074570700000000, 0.0002739500000000, -0.0012225000000000 ] - [ -0.0065788200000000, 0.0000000000000000, 0.0010858800000000 ] - [ -0.0074570700000000, -0.0002739500000000, -0.0012225000000000 ] - [ -0.0069701400000000, 0.0001459300000000, 0.0072510400000000 ] - [ -0.0069610100000000, 0.0000000000000000, 0.0065315100000000 ] - [ -0.0069701400000000, -0.0001459300000000, 0.0072510400000000 ] - [ -0.0085751800000000, -0.0001214900000000, 0.0055963600000000 ] - [ -0.0086337100000000, 0.0000000000000000, 0.0048009300000000 ] - [ -0.0085751800000000, 0.0001214900000000, 0.0055963600000000 ] - [ -0.0069097100000000, 0.0001359800000000, 0.0072371500000000 ] - [ -0.0069424600000000, 0.0000000000000000, 0.0066161200000000 ] - [ -0.0069097100000000, -0.0001359800000000, 0.0072371500000000 ]- atom: 13 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0023635600000000, 0.0000000000000000, -0.0030164300000000 ] - [ -0.0006819000000000, -0.0002599500000000, -0.0005615700000000 ] - [ -0.0006819000000000, 0.0002599500000000, -0.0005615700000000 ] - [ -0.0019099000000000, 0.0000000000000000, 0.0030619400000000 ] - [ -0.0003964900000000, -0.0001959500000000, 0.0003333300000000 ] - [ -0.0003964900000000, 0.0001959500000000, 0.0003333300000000 ] - [ 0.0002049800000000, 0.0000000000000000, -0.0021499200000000 ] - [ 0.0003037200000000, 0.0002969100000000, -0.0000189400000000 ] - [ 0.0003037200000000, -0.0002969100000000, -0.0000189400000000 ] - [ 0.0037959000000000, 0.0000000000000000, -0.0040057100000000 ] - [ 0.0044508400000000, -0.0003691400000000, -0.0037018200000000 ] - [ 0.0044508400000000, 0.0003691400000000, -0.0037018200000000 ] - [ -0.0366433700000000, 0.0000000000000000, -0.0016457500000000 ] - [ 0.0108850600000000, 0.0050783100000000, -0.0027548900000000 ] - [ 0.0108850600000000, -0.0050783100000000, -0.0027548900000000 ] - [ 0.0044929000000000, 0.0000000000000000, -0.0071696600000000 ] - [ 0.0039511100000000, -0.0013317700000000, -0.0075405300000000 ] - [ 0.0039511100000000, 0.0013317700000000, -0.0075405300000000 ] - [ -0.0006898500000000, -0.0000925500000000, -0.0015571900000000 ] - [ -0.0006726500000000, 0.0000000000000000, -0.0013242500000000 ] - [ -0.0006898500000000, 0.0000925500000000, -0.0015571900000000 ] - [ 0.0020799000000000, 0.0000051800000000, 0.0004107400000000 ] - [ 0.0020741600000000, 0.0000000000000000, 0.0003442400000000 ] - [ 0.0020799000000000, -0.0000051800000000, 0.0004107400000000 ] - [ 0.0012542900000000, -0.0005211000000000, -0.0022524900000000 ] - [ -0.0003030800000000, 0.0000000000000000, -0.0018688300000000 ] - [ 0.0012542900000000, 0.0005211000000000, -0.0022524900000000 ] - [ 0.0018832500000000, -0.0004684700000000, -0.0002428700000000 ] - [ 0.0018614900000000, 0.0000000000000000, 0.0000811000000000 ] - [ 0.0018832500000000, 0.0004684700000000, -0.0002428700000000 ] - [ -0.0039695500000000, -0.0015176200000000, -0.0015290500000000 ] - [ -0.0002720800000000, 0.0000000000000000, -0.0002175600000000 ] - [ -0.0039695500000000, 0.0015176200000000, -0.0015290500000000 ] - [ 0.0022927600000000, -0.0000151600000000, -0.0001817900000000 ] - [ 0.0022924200000000, 0.0000000000000000, -0.0001465200000000 ] - [ 0.0022927600000000, 0.0000151600000000, -0.0001817900000000 ] - [ 0.0003943500000000, -0.0000759500000000, -0.0015860200000000 ] - [ 0.0003559300000000, 0.0000000000000000, -0.0013453000000000 ] - [ 0.0003943500000000, 0.0000759500000000, -0.0015860200000000 ] - [ -0.0005726000000000, 0.0000079000000000, -0.0023741000000000 ] - [ -0.0005336500000000, 0.0000000000000000, -0.0023247000000000 ] - [ -0.0005726000000000, -0.0000079000000000, -0.0023741000000000 ] - [ 0.0025184100000000, -0.0000030200000000, 0.0004595100000000 ] - [ 0.0025142600000000, 0.0000000000000000, 0.0004588900000000 ] - [ 0.0025184100000000, 0.0000030200000000, 0.0004595100000000 ] - [ -0.0004749000000000, -0.0000073000000000, -0.0013871600000000 ] - [ -0.0004762300000000, 0.0000000000000000, -0.0013508800000000 ] - [ -0.0004749000000000, 0.0000073000000000, -0.0013871600000000 ] - [ 0.0025834400000000, -0.0000145000000000, 0.0003497700000000 ] - [ 0.0025900400000000, 0.0000000000000000, 0.0003750600000000 ] - [ 0.0025834400000000, 0.0000145000000000, 0.0003497700000000 ] - [ 0.0001242600000000, -0.0000080600000000, -0.0017807400000000 ] - [ 0.0001245500000000, 0.0000000000000000, -0.0017338300000000 ] - [ 0.0001242600000000, 0.0000080600000000, -0.0017807400000000 ] - [ 0.0032760800000000, 0.0000740700000000, -0.0004576600000000 ] - [ 0.0031601500000000, 0.0000000000000000, -0.0004108600000000 ] - [ 0.0032760800000000, -0.0000740700000000, -0.0004576600000000 ] - [ -0.0002448000000000, -0.0000064500000000, -0.0014600900000000 ] - [ -0.0002705900000000, 0.0000000000000000, -0.0015047600000000 ] - [ -0.0002448000000000, 0.0000064500000000, -0.0014600900000000 ] - [ 0.0133335400000000, 0.0116831900000000, 0.0002294900000000 ] - [ 0.0026962800000000, 0.0000000000000000, -0.0001325000000000 ] - [ 0.0133335400000000, -0.0116831900000000, 0.0002294900000000 ] - [ 0.0016578200000000, 0.0000832700000000, 0.0001640600000000 ] - [ 0.0005157900000000, 0.0000000000000000, -0.0001549800000000 ] - [ 0.0016578200000000, -0.0000832700000000, 0.0001640600000000 ] - [ 0.0020921000000000, -0.0001769000000000, 0.0000073000000000 ] - [ 0.0021580200000000, 0.0000000000000000, -0.0001765400000000 ] - [ 0.0020921000000000, 0.0001769000000000, 0.0000073000000000 ] - [ -0.0038023900000000, 0.0018776100000000, -0.0052203400000000 ] - [ -0.0001419100000000, 0.0000000000000000, -0.0025637600000000 ] - [ -0.0038023900000000, -0.0018776100000000, -0.0052203400000000 ] - [ 0.0023817900000000, -0.0000032500000000, 0.0001066600000000 ] - [ 0.0023903300000000, 0.0000000000000000, 0.0001113600000000 ] - [ 0.0023817900000000, 0.0000032500000000, 0.0001066600000000 ] - [ 0.0170329700000000, -0.0153316900000000, 0.0009362200000000 ] - [ 0.0018914100000000, 0.0000000000000000, 0.0003061300000000 ] - [ 0.0170329700000000, 0.0153316900000000, 0.0009362200000000 ] - [ 0.0055251200000000, 0.0000000000000000, -0.0035669400000000 ] - [ 0.0055216200000000, -0.0000456800000000, -0.0035434100000000 ] - [ 0.0055216200000000, 0.0000456800000000, -0.0035434100000000 ] - [ 0.0046490900000000, 0.0000000000000000, -0.0035101800000000 ] - [ 0.0046479700000000, -0.0000118800000000, -0.0035116200000000 ] - [ 0.0046479700000000, 0.0000118800000000, -0.0035116200000000 ] - [ 0.0059259500000000, 0.0000000000000000, -0.0033094300000000 ] - [ 0.0050209600000000, -0.0003027200000000, -0.0026173900000000 ] - [ 0.0050209600000000, 0.0003027200000000, -0.0026173900000000 ] - [ 0.0065062300000000, 0.0000000000000000, -0.0009330600000000 ] - [ 0.0068913800000000, 0.0002811500000000, -0.0010477300000000 ] - [ 0.0068913800000000, -0.0002811500000000, -0.0010477300000000 ] - [ 0.0047187200000000, 0.0000000000000000, -0.0044389600000000 ] - [ 0.0047253300000000, -0.0000499800000000, -0.0044161800000000 ] - [ 0.0047253300000000, 0.0000499800000000, -0.0044161800000000 ] - [ 0.0052046000000000, 0.0000000000000000, -0.0040629000000000 ] - [ 0.0052073400000000, -0.0000120900000000, -0.0040626900000000 ] - [ 0.0052073400000000, 0.0000120900000000, -0.0040626900000000 ] - [ 0.0070726900000000, 0.0000000000000000, 0.0044427400000000 ] - [ 0.0069335200000000, -0.0000621500000000, 0.0044112100000000 ] - [ 0.0069335200000000, 0.0000621500000000, 0.0044112100000000 ] - [ -0.0000369700000000, 0.0000000000000000, 0.0034804500000000 ] - [ 0.0008931600000000, 0.0007668800000000, 0.0004426900000000 ] - [ 0.0008931600000000, -0.0007668800000000, 0.0004426900000000 ] - [ -0.0003706300000000, 0.0000000000000000, 0.0002216100000000 ] - [ -0.0003337300000000, 0.0000463700000000, 0.0001233700000000 ] - [ -0.0003337300000000, -0.0000463700000000, 0.0001233700000000 ] - [ -0.0004102700000000, 0.0000000000000000, -0.0000556300000000 ] - [ -0.0004105300000000, 0.0000119000000000, -0.0000673700000000 ] - [ -0.0004105300000000, -0.0000119000000000, -0.0000673700000000 ] - [ 0.0000223100000000, 0.0000000000000000, 0.0003949900000000 ] - [ -0.0000039200000000, 0.0000926400000000, 0.0001562200000000 ] - [ -0.0000039200000000, -0.0000926400000000, 0.0001562200000000 ] - [ -0.0005660300000000, 0.0000000000000000, 0.0001547900000000 ] - [ -0.0005665200000000, 0.0000113400000000, 0.0001437800000000 ] - [ -0.0005665200000000, -0.0000113400000000, 0.0001437800000000 ] - [ 0.0000047000000000, 0.0000000000000000, 0.0001762400000000 ] - [ 0.0000047700000000, -0.0000033600000000, 0.0001568900000000 ] - [ 0.0000047700000000, 0.0000033600000000, 0.0001568900000000 ] - [ -0.0004952300000000, 0.0000000000000000, -0.0001241000000000 ] - [ -0.0005098300000000, 0.0000297400000000, -0.0000908900000000 ] - [ -0.0005098300000000, -0.0000297400000000, -0.0000908900000000 ] - [ -0.0098646200000000, 0.0000765800000000, -0.0037458400000000 ] - [ -0.0094912400000000, 0.0000000000000000, -0.0034434700000000 ] - [ -0.0098646200000000, -0.0000765800000000, -0.0037458400000000 ] - [ 0.0047789200000000, 0.0086409500000000, 0.0035397300000000 ] - [ -0.0104842800000000, 0.0000000000000000, 0.0045466600000000 ] - [ 0.0047789200000000, -0.0086409500000000, 0.0035397300000000 ] - [ -0.0224827200000000, 0.0011031200000000, 0.0102168000000000 ] - [ -0.0040944600000000, 0.0000000000000000, 0.0082118900000000 ] - [ -0.0224827200000000, -0.0011031200000000, 0.0102168000000000 ] - [ -0.0055523100000000, 0.0003489800000000, 0.0049790600000000 ] - [ -0.0059868900000000, 0.0000000000000000, 0.0042566400000000 ] - [ -0.0055523100000000, -0.0003489800000000, 0.0049790600000000 ] - [ -0.0063892000000000, 0.0000423400000000, 0.0061290800000000 ] - [ -0.0064009000000000, 0.0000000000000000, 0.0059685700000000 ] - [ -0.0063892000000000, -0.0000423400000000, 0.0061290800000000 ] - [ -0.0075141300000000, 0.0000427900000000, 0.0050900900000000 ] - [ -0.0075088800000000, 0.0000000000000000, 0.0049590900000000 ] - [ -0.0075141300000000, -0.0000427900000000, 0.0050900900000000 ] - [ -0.0073106600000000, 0.0006847200000000, 0.0040968100000000 ] - [ -0.0068341300000000, 0.0000000000000000, 0.0035921900000000 ] - [ -0.0073106600000000, -0.0006847200000000, 0.0040968100000000 ] - [ -0.0069579200000000, 0.0000081800000000, 0.0048680000000000 ] - [ -0.0069567500000000, 0.0000000000000000, 0.0048484000000000 ] - [ -0.0069579200000000, -0.0000081800000000, 0.0048680000000000 ] - [ -0.0083211400000000, 0.0000987000000000, 0.0041428900000000 ] - [ -0.0086975600000000, 0.0000000000000000, 0.0030557500000000 ] - [ -0.0083211400000000, -0.0000987000000000, 0.0041428900000000 ] - [ -0.0069879700000000, 0.0000089100000000, 0.0053559600000000 ] - [ -0.0069927300000000, 0.0000000000000000, 0.0053600800000000 ] - [ -0.0069879700000000, -0.0000089100000000, 0.0053559600000000 ]- atom: 13 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0013014500000000, 0.0000000000000000, 0.0028742100000000 ] - [ -0.0003809200000000, 0.0002560800000000, 0.0004285700000000 ] - [ -0.0003809200000000, -0.0002560800000000, 0.0004285700000000 ] - [ 0.0016590600000000, 0.0000000000000000, -0.0029356700000000 ] - [ 0.0001405000000000, 0.0001942800000000, -0.0002180500000000 ] - [ 0.0001405000000000, -0.0001942800000000, -0.0002180500000000 ] - [ -0.0005683100000000, 0.0000000000000000, 0.0027213900000000 ] - [ -0.0006243300000000, -0.0002999400000000, 0.0006367600000000 ] - [ -0.0006243300000000, 0.0002999400000000, 0.0006367600000000 ] - [ 0.0051848400000000, 0.0000000000000000, -0.0033938900000000 ] - [ 0.0045240400000000, 0.0003693300000000, -0.0037064900000000 ] - [ 0.0045240400000000, -0.0003693300000000, -0.0037064900000000 ] - [ 0.0564391200000000, 0.0000000000000000, -0.0052887700000000 ] - [ 0.0084379400000000, -0.0052642600000000, -0.0041455800000000 ] - [ 0.0084379400000000, 0.0052642600000000, -0.0041455800000000 ] - [ -0.0017416100000000, 0.0000000000000000, -0.0072608900000000 ] - [ -0.0011930600000000, 0.0013970100000000, -0.0068873500000000 ] - [ -0.0011930600000000, -0.0013970100000000, -0.0068873500000000 ] - [ -0.0006029500000000, 0.0000933700000000, -0.0010483300000000 ] - [ -0.0006205800000000, 0.0000000000000000, -0.0012858200000000 ] - [ -0.0006029500000000, -0.0000933700000000, -0.0010483300000000 ] - [ 0.0018499600000000, -0.0000021000000000, 0.0001046900000000 ] - [ 0.0018555500000000, 0.0000000000000000, 0.0001677900000000 ] - [ 0.0018499600000000, 0.0000021000000000, 0.0001046900000000 ] - [ -0.0018962600000000, 0.0005308000000000, -0.0016811400000000 ] - [ -0.0003325500000000, 0.0000000000000000, -0.0020827300000000 ] - [ -0.0018962600000000, -0.0005308000000000, -0.0016811400000000 ] - [ 0.0020187700000000, 0.0004767800000000, 0.0003587100000000 ] - [ 0.0020399100000000, 0.0000000000000000, 0.0000277800000000 ] - [ 0.0020187700000000, -0.0004767800000000, 0.0003587100000000 ] - [ 0.0038864400000000, 0.0014710900000000, -0.0012219400000000 ] - [ 0.0001740900000000, 0.0000000000000000, -0.0024610000000000 ] - [ 0.0038864400000000, -0.0014710900000000, -0.0012219400000000 ] - [ 0.0022636800000000, 0.0000154400000000, -0.0000019200000000 ] - [ 0.0022657100000000, 0.0000000000000000, -0.0000379100000000 ] - [ 0.0022636800000000, -0.0000154400000000, -0.0000019200000000 ] - [ 0.0002917600000000, 0.0000775600000000, -0.0008730800000000 ] - [ 0.0003307700000000, 0.0000000000000000, -0.0011207800000000 ] - [ 0.0002917600000000, -0.0000775600000000, -0.0008730800000000 ] - [ -0.0004374300000000, -0.0000070300000000, -0.0015125800000000 ] - [ -0.0004765800000000, 0.0000000000000000, -0.0015606100000000 ] - [ -0.0004374300000000, 0.0000070300000000, -0.0015125800000000 ] - [ 0.0024439200000000, 0.0000033200000000, 0.0006191700000000 ] - [ 0.0024487000000000, 0.0000000000000000, 0.0006202000000000 ] - [ 0.0024439200000000, -0.0000033200000000, 0.0006191700000000 ] - [ -0.0004812700000000, 0.0000075300000000, -0.0009248300000000 ] - [ -0.0004793900000000, 0.0000000000000000, -0.0009630700000000 ] - [ -0.0004812700000000, -0.0000075300000000, -0.0009248300000000 ] - [ 0.0026298400000000, 0.0000149100000000, 0.0005344800000000 ] - [ 0.0026204400000000, 0.0000000000000000, 0.0005084100000000 ] - [ 0.0026298400000000, -0.0000149100000000, 0.0005344800000000 ] - [ 0.0001395400000000, 0.0000083600000000, -0.0012384000000000 ] - [ 0.0001391000000000, 0.0000000000000000, -0.0012842800000000 ] - [ 0.0001395400000000, -0.0000083600000000, -0.0012384000000000 ] - [ 0.0025855100000000, -0.0000722500000000, -0.0002443400000000 ] - [ 0.0027049100000000, 0.0000000000000000, -0.0002887100000000 ] - [ 0.0025855100000000, 0.0000722500000000, -0.0002443400000000 ] - [ -0.0003194000000000, 0.0000074300000000, -0.0013768200000000 ] - [ -0.0002933700000000, 0.0000000000000000, -0.0013262200000000 ] - [ -0.0003194000000000, -0.0000074300000000, -0.0013768200000000 ] - [ -0.0104216800000000, -0.0114808500000000, -0.0005830700000000 ] - [ 0.0000927900000000, 0.0000000000000000, -0.0002349700000000 ] - [ -0.0104216800000000, 0.0114808500000000, -0.0005830700000000 ] - [ -0.0008215800000000, -0.0000802100000000, -0.0010996800000000 ] - [ 0.0003199500000000, 0.0000000000000000, -0.0007607100000000 ] - [ -0.0008215800000000, 0.0000802100000000, -0.0010996800000000 ] - [ 0.0026131700000000, 0.0001792100000000, -0.0003423200000000 ] - [ 0.0025449300000000, 0.0000000000000000, -0.0001540800000000 ] - [ 0.0026131700000000, -0.0001792100000000, -0.0003423200000000 ] - [ 0.0035257900000000, -0.0019062000000000, 0.0011624300000000 ] - [ -0.0001096900000000, 0.0000000000000000, -0.0015383400000000 ] - [ 0.0035257900000000, 0.0019062000000000, 0.0011624300000000 ] - [ 0.0024810400000000, 0.0000034800000000, 0.0002647200000000 ] - [ 0.0024711800000000, 0.0000000000000000, 0.0002605300000000 ] - [ 0.0024810400000000, -0.0000034800000000, 0.0002647200000000 ] - [ -0.0122986600000000, 0.0155588000000000, -0.0004304300000000 ] - [ 0.0029873200000000, 0.0000000000000000, 0.0002165500000000 ] - [ -0.0122986600000000, -0.0155588000000000, -0.0004304300000000 ] - [ 0.0055294400000000, 0.0000000000000000, -0.0033687400000000 ] - [ 0.0055324200000000, 0.0000463600000000, -0.0033921100000000 ] - [ 0.0055324200000000, -0.0000463600000000, -0.0033921100000000 ] - [ 0.0046505700000000, 0.0000000000000000, -0.0033029100000000 ] - [ 0.0046521800000000, 0.0000126600000000, -0.0033009800000000 ] - [ 0.0046521800000000, -0.0000126600000000, -0.0033009800000000 ] - [ 0.0039554400000000, 0.0000000000000000, -0.0018345900000000 ] - [ 0.0048725900000000, 0.0003102700000000, -0.0025398500000000 ] - [ 0.0048725900000000, -0.0003102700000000, -0.0025398500000000 ] - [ 0.0073412000000000, 0.0000000000000000, -0.0004071800000000 ] - [ 0.0069560400000000, -0.0002823200000000, -0.0002898200000000 ] - [ 0.0069560400000000, 0.0002823200000000, -0.0002898200000000 ] - [ 0.0047200400000000, 0.0000000000000000, -0.0042279200000000 ] - [ 0.0047136700000000, 0.0000518900000000, -0.0042518200000000 ] - [ 0.0047136700000000, -0.0000518900000000, -0.0042518200000000 ] - [ 0.0051995500000000, 0.0000000000000000, -0.0039366600000000 ] - [ 0.0051966100000000, 0.0000133300000000, -0.0039365700000000 ] - [ 0.0051966100000000, -0.0000133300000000, -0.0039365700000000 ] - [ 0.0066811300000000, 0.0000000000000000, 0.0042846500000000 ] - [ 0.0068201400000000, 0.0000677400000000, 0.0043190200000000 ] - [ 0.0068201400000000, -0.0000677400000000, 0.0043190200000000 ] - [ 0.0007742900000000, 0.0000000000000000, -0.0031540100000000 ] - [ -0.0000519900000000, -0.0007739800000000, -0.0002269700000000 ] - [ -0.0000519900000000, 0.0007739800000000, -0.0002269700000000 ] - [ -0.0002328800000000, 0.0000000000000000, -0.0000457900000000 ] - [ -0.0002686000000000, -0.0000469100000000, 0.0000544100000000 ] - [ -0.0002686000000000, 0.0000469100000000, 0.0000544100000000 ] - [ -0.0003808100000000, 0.0000000000000000, -0.0002826400000000 ] - [ -0.0003809900000000, -0.0000127900000000, -0.0002714100000000 ] - [ -0.0003809900000000, 0.0000127900000000, -0.0002714100000000 ] - [ -0.0000967100000000, 0.0000000000000000, -0.0003030800000000 ] - [ -0.0000708600000000, -0.0000949000000000, -0.0000591500000000 ] - [ -0.0000708600000000, 0.0000949000000000, -0.0000591500000000 ] - [ -0.0005975500000000, 0.0000000000000000, -0.0000759600000000 ] - [ -0.0005967000000000, -0.0000115800000000, -0.0000652000000000 ] - [ -0.0005967000000000, 0.0000115800000000, -0.0000652000000000 ] - [ 0.0001781800000000, 0.0000000000000000, -0.0001185400000000 ] - [ 0.0001780400000000, 0.0000022900000000, -0.0001003100000000 ] - [ 0.0001780400000000, -0.0000022900000000, -0.0001003100000000 ] - [ -0.0007232900000000, 0.0000000000000000, -0.0001997600000000 ] - [ -0.0007078100000000, -0.0000306300000000, -0.0002337600000000 ] - [ -0.0007078100000000, 0.0000306300000000, -0.0002337600000000 ] - [ -0.0090085800000000, -0.0000836700000000, -0.0028454100000000 ] - [ -0.0093828200000000, 0.0000000000000000, -0.0031691800000000 ] - [ -0.0090085800000000, 0.0000836700000000, -0.0028454100000000 ] - [ -0.0273347900000000, -0.0092879100000000, 0.0068753700000000 ] - [ -0.0118802600000000, 0.0000000000000000, 0.0058233500000000 ] - [ -0.0273347900000000, 0.0092879100000000, 0.0068753700000000 ] - [ 0.0155653900000000, -0.0011609200000000, 0.0067723600000000 ] - [ -0.0028397900000000, 0.0000000000000000, 0.0087756400000000 ] - [ 0.0155653900000000, 0.0011609200000000, 0.0067723600000000 ] - [ -0.0063814800000000, -0.0003626200000000, 0.0048879400000000 ] - [ -0.0059439900000000, 0.0000000000000000, 0.0055940400000000 ] - [ -0.0063814800000000, 0.0003626200000000, 0.0048879400000000 ] - [ -0.0064024300000000, -0.0000450500000000, 0.0053975900000000 ] - [ -0.0063877600000000, 0.0000000000000000, 0.0055558100000000 ] - [ -0.0064024300000000, 0.0000450500000000, 0.0053975900000000 ] - [ -0.0075297600000000, -0.0000419200000000, 0.0044566100000000 ] - [ -0.0075364500000000, 0.0000000000000000, 0.0045941400000000 ] - [ -0.0075297600000000, 0.0000419200000000, 0.0044566100000000 ] - [ -0.0061953600000000, -0.0006967900000000, 0.0031569900000000 ] - [ -0.0066795100000000, 0.0000000000000000, 0.0036808800000000 ] - [ -0.0061953600000000, 0.0006967900000000, 0.0031569900000000 ] - [ -0.0069536000000000, -0.0000100200000000, 0.0040916300000000 ] - [ -0.0069544500000000, 0.0000000000000000, 0.0041071900000000 ] - [ -0.0069536000000000, 0.0000100200000000, 0.0040916300000000 ] - [ -0.0092068900000000, -0.0001041400000000, 0.0008365500000000 ] - [ -0.0088270700000000, 0.0000000000000000, 0.0019340600000000 ] - [ -0.0092068900000000, 0.0001041400000000, 0.0008365500000000 ] - [ -0.0070109000000000, -0.0000096500000000, 0.0049482700000000 ] - [ -0.0070056600000000, 0.0000000000000000, 0.0049456800000000 ] - [ -0.0070109000000000, 0.0000096500000000, 0.0049482700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004812600000000, 0.0050902700000000, -0.0000176000000000 ] - [ -0.0014672800000000, -0.0021090200000000, -0.0018705500000000 ] - [ 0.0003906700000000, -0.0021204000000000, 0.0017249500000000 ] - [ -0.0000834200000000, 0.0056211200000000, -0.0000053900000000 ] - [ -0.0015278400000000, -0.0023291100000000, 0.0015646900000000 ] - [ 0.0012521900000000, -0.0023381800000000, -0.0014442600000000 ] - [ -0.0002041300000000, 0.0061454900000000, 0.0002363300000000 ] - [ 0.0010674500000000, -0.0022500300000000, 0.0020820700000000 ] - [ -0.0013669000000000, -0.0022629100000000, -0.0014557000000000 ] - [ 0.0044820900000000, -0.0093874800000000, -0.0037147700000000 ] - [ 0.0047723400000000, 0.0053309200000000, -0.0012085700000000 ] - [ 0.0042024500000000, 0.0053506100000000, -0.0061852200000000 ] - [ 0.0089248900000000, -0.3219682000000000, -0.0030901600000000 ] - [ 0.0044015500000000, 0.0605605300000000, -0.0008482700000000 ] - [ 0.0147467600000000, 0.0598951000000000, -0.0059800900000000 ] - [ 0.0013908700000000, -0.0208963600000000, -0.0072121800000000 ] - [ 0.0015067600000000, 0.0122760800000000, -0.0071489200000000 ] - [ 0.0012675700000000, 0.0123122100000000, -0.0072776300000000 ] - [ -0.0008767600000000, -0.0004579800000000, 0.0018240200000000 ] - [ -0.0006474800000000, 0.0013333800000000, -0.0012968900000000 ] - [ -0.0004184200000000, -0.0004532200000000, -0.0044360300000000 ] - [ 0.0038394300000000, -0.0006207700000000, 0.0022482900000000 ] - [ 0.0019733000000000, 0.0012389700000000, 0.0002604500000000 ] - [ 0.0001095600000000, -0.0006068100000000, -0.0017459600000000 ] - [ 0.0002992000000000, -0.0013025600000000, 0.0038213200000000 ] - [ -0.0003169600000000, 0.0026156700000000, -0.0019614400000000 ] - [ -0.0009168900000000, -0.0012725700000000, -0.0077675700000000 ] - [ 0.0006511900000000, -0.0008561900000000, 0.0022153400000000 ] - [ 0.0019448300000000, 0.0015459100000000, 0.0000588100000000 ] - [ 0.0032444400000000, -0.0008350600000000, -0.0021199800000000 ] - [ -0.0032717200000000, 0.0115792200000000, 0.0321328100000000 ] - [ -0.0000537200000000, 0.0055673800000000, -0.0012834200000000 ] - [ 0.0031438400000000, 0.0116642100000000, -0.0345280000000000 ] - [ 0.0024057200000000, -0.0001456300000000, 0.0001803500000000 ] - [ 0.0022801300000000, 0.0002879600000000, -0.0000928600000000 ] - [ 0.0021529400000000, -0.0001439100000000, -0.0003689200000000 ] - [ 0.0003754300000000, -0.0003214800000000, 0.0005812900000000 ] - [ 0.0003436700000000, 0.0006443700000000, -0.0012328500000000 ] - [ 0.0003122800000000, -0.0003162300000000, -0.0030640600000000 ] - [ -0.0007995100000000, -0.0005408900000000, -0.0054489600000000 ] - [ -0.0005062900000000, 0.0015570300000000, -0.0019594000000000 ] - [ -0.0002131900000000, -0.0005387800000000, 0.0015375900000000 ] - [ 0.0025753200000000, -0.0001799400000000, 0.0002092000000000 ] - [ 0.0024832000000000, 0.0003564600000000, 0.0005373800000000 ] - [ 0.0023907800000000, -0.0001787500000000, 0.0008669300000000 ] - [ -0.0004993800000000, -0.0001224600000000, -0.0012260800000000 ] - [ -0.0004777700000000, 0.0002444800000000, -0.0011612600000000 ] - [ -0.0004565300000000, -0.0001213500000000, -0.0010967100000000 ] - [ 0.0025617700000000, -0.0001532000000000, 0.0006852900000000 ] - [ 0.0026045400000000, 0.0002989900000000, 0.0004409000000000 ] - [ 0.0026492500000000, -0.0001516800000000, 0.0001940600000000 ] - [ 0.0000661100000000, -0.0001185100000000, -0.0015797000000000 ] - [ 0.0001315900000000, 0.0003288200000000, -0.0015150100000000 ] - [ 0.0001971000000000, -0.0001182300000000, -0.0014533600000000 ] - [ 0.0045689900000000, -0.0006666900000000, -0.0028922500000000 ] - [ 0.0029413700000000, 0.0011709200000000, -0.0003552500000000 ] - [ 0.0013188000000000, -0.0006591100000000, 0.0021922600000000 ] - [ -0.0001612100000000, -0.0003406500000000, -0.0036107000000000 ] - [ -0.0002813600000000, 0.0006821600000000, -0.0014209100000000 ] - [ -0.0004008700000000, -0.0003377200000000, 0.0007819100000000 ] - [ 0.0329613000000000, 0.0089082700000000, 0.0028890400000000 ] - [ 0.0014547200000000, 0.0055457900000000, -0.0001768800000000 ] - [ -0.0297690600000000, 0.0090293900000000, -0.0031955100000000 ] - [ 0.0011506700000000, -0.0009919800000000, -0.0061446300000000 ] - [ 0.0004203100000000, 0.0017940200000000, -0.0004626100000000 ] - [ -0.0003122300000000, -0.0009738300000000, 0.0052516400000000 ] - [ 0.0007413600000000, -0.0006311900000000, -0.0024302600000000 ] - [ 0.0023443200000000, 0.0012488200000000, -0.0001695000000000 ] - [ 0.0039509600000000, -0.0006198100000000, 0.0021096500000000 ] - [ 0.0019928500000000, 0.0111089200000000, -0.0369634900000000 ] - [ -0.0001245800000000, 0.0049803700000000, -0.0021001200000000 ] - [ -0.0022160900000000, 0.0112186100000000, 0.0324594100000000 ] - [ 0.0023336900000000, -0.0001527300000000, -0.0001999700000000 ] - [ 0.0024291900000000, 0.0002962300000000, 0.0001839200000000 ] - [ 0.0025256000000000, -0.0001516000000000, 0.0005692800000000 ] - [ -0.0285529800000000, 0.0120783800000000, -0.0002138900000000 ] - [ 0.0023833200000000, 0.0067820500000000, 0.0002629200000000 ] - [ 0.0331900800000000, 0.0121612100000000, 0.0007094100000000 ] - [ 0.0055270900000000, -0.0011414000000000, -0.0034703300000000 ] - [ 0.0055441500000000, 0.0006044000000000, -0.0033272500000000 ] - [ 0.0055096500000000, 0.0006093300000000, -0.0036107400000000 ] - [ 0.0046498500000000, -0.0011364700000000, -0.0034092100000000 ] - [ 0.0046667500000000, 0.0006059600000000, -0.0035900500000000 ] - [ 0.0046332700000000, 0.0006086500000000, -0.0032293200000000 ] - [ 0.0049590100000000, -0.0041764300000000, -0.0025959000000000 ] - [ 0.0048371300000000, 0.0020565300000000, -0.0018363200000000 ] - [ 0.0050570000000000, 0.0020786900000000, -0.0033224700000000 ] - [ 0.0069189100000000, -0.0099377900000000, -0.0006702200000000 ] - [ 0.0066733700000000, 0.0057082600000000, -0.0034494500000000 ] - [ 0.0071681900000000, 0.0057082400000000, 0.0020884000000000 ] - [ 0.0047196200000000, -0.0009603500000000, -0.0043365900000000 ] - [ 0.0047361200000000, 0.0004797700000000, -0.0042036300000000 ] - [ 0.0047033300000000, 0.0004843700000000, -0.0044684000000000 ] - [ 0.0052020800000000, -0.0009859900000000, -0.0040000700000000 ] - [ 0.0052179000000000, 0.0004926900000000, -0.0041825700000000 ] - [ 0.0051862000000000, 0.0004951600000000, -0.0038187200000000 ] - [ 0.0068778900000000, -0.0045812400000000, 0.0043714200000000 ] - [ 0.0069773400000000, 0.0022769900000000, 0.0038602300000000 ] - [ 0.0067787600000000, 0.0022932700000000, 0.0048731600000000 ] - [ 0.0003220700000000, 0.0122082100000000, 0.0002247000000000 ] - [ 0.0031265200000000, -0.0043933900000000, -0.0032131300000000 ] - [ -0.0022474400000000, -0.0044278000000000, 0.0034074400000000 ] - [ -0.0003035500000000, 0.0015090200000000, 0.0000965200000000 ] - [ -0.0005377200000000, -0.0007435900000000, -0.0006462900000000 ] - [ -0.0000689600000000, -0.0007512300000000, 0.0008261300000000 ] - [ -0.0003961500000000, 0.0004978000000000, -0.0001666000000000 ] - [ -0.0004056900000000, -0.0002489200000000, -0.0001675100000000 ] - [ -0.0003872000000000, -0.0002497200000000, -0.0001668000000000 ] - [ -0.0000354200000000, 0.0013986400000000, 0.0000571300000000 ] - [ 0.0001854300000000, -0.0006890800000000, -0.0006801800000000 ] - [ -0.0002553400000000, -0.0006953800000000, 0.0007805700000000 ] - [ -0.0005809400000000, 0.0004954500000000, 0.0000417400000000 ] - [ -0.0005704300000000, -0.0002465900000000, 0.0000473700000000 ] - [ -0.0005913400000000, -0.0002484000000000, 0.0000355700000000 ] - [ 0.0000887200000000, 0.0016458000000000, 0.0000276700000000 ] - [ -0.0001162200000000, -0.0008122400000000, 0.0008075500000000 ] - [ 0.0002926700000000, -0.0008162100000000, -0.0007452400000000 ] - [ -0.0006057600000000, 0.0015036600000000, -0.0001649600000000 ] - [ -0.0003719900000000, -0.0007415800000000, 0.0005338200000000 ] - [ -0.0008379100000000, -0.0007461900000000, -0.0008551600000000 ] - [ -0.0100563200000000, 0.0021125000000000, 0.0026808300000000 ] - [ -0.0094381900000000, -0.0041886700000000, -0.0032978100000000 ] - [ -0.0088272100000000, 0.0020871600000000, -0.0093260300000000 ] - [ 0.0046243600000000, 0.0672917200000000, -0.0031188300000000 ] - [ -0.0111721100000000, -0.0453738200000000, 0.0051705200000000 ] - [ -0.0262162300000000, 0.0585531300000000, 0.0131444200000000 ] - [ -0.0048888800000000, 0.0084330500000000, 0.0080703000000000 ] - [ -0.0034709600000000, -0.0189803100000000, 0.0084854500000000 ] - [ -0.0021598100000000, 0.0083457700000000, 0.0089068300000000 ] - [ -0.0084404800000000, 0.0036848900000000, -0.0130478100000000 ] - [ -0.0059717200000000, -0.0077066900000000, 0.0048883200000000 ] - [ -0.0035039700000000, 0.0036438200000000, 0.0228900100000000 ] - [ -0.0064689400000000, 0.0004170300000000, 0.0047858500000000 ] - [ -0.0063945000000000, -0.0008331500000000, 0.0057651100000000 ] - [ -0.0063220500000000, 0.0004142800000000, 0.0067608400000000 ] - [ -0.0075126800000000, 0.0004307600000000, 0.0033539600000000 ] - [ -0.0075226500000000, -0.0009753500000000, 0.0047763800000000 ] - [ -0.0075311900000000, 0.0004253700000000, 0.0062074800000000 ] - [ -0.0067610700000000, 0.0018754000000000, -0.0013487000000000 ] - [ -0.0067569900000000, -0.0036931300000000, 0.0036269300000000 ] - [ -0.0067597600000000, 0.0018323000000000, 0.0086465300000000 ] - [ -0.0069815900000000, 0.0004395200000000, 0.0059922300000000 ] - [ -0.0069557700000000, -0.0009939600000000, 0.0044900600000000 ] - [ -0.0069296200000000, 0.0004388900000000, 0.0029864800000000 ] - [ -0.0069104000000000, 0.0038541000000000, 0.0227986600000000 ] - [ -0.0087600900000000, -0.0085012000000000, 0.0025358500000000 ] - [ -0.0106027100000000, 0.0038293600000000, -0.0177227800000000 ] - [ -0.0069070900000000, 0.0004359400000000, 0.0062541100000000 ] - [ -0.0069998000000000, -0.0008696000000000, 0.0051591800000000 ] - [ -0.0070934600000000, 0.0004329300000000, 0.0040555300000000 ]- atom: 13 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0035907400000000, 0.0000000000000000, -0.0010814200000000 ] - [ -0.0008397900000000, -0.0003242400000000, 0.0005148700000000 ] - [ -0.0008397900000000, 0.0003242400000000, 0.0005148700000000 ] - [ 0.0031781500000000, 0.0000000000000000, -0.0015942500000000 ] - [ 0.0004461400000000, 0.0004804700000000, 0.0003413300000000 ] - [ 0.0004461400000000, -0.0004804700000000, 0.0003413300000000 ] - [ -0.0024108500000000, 0.0000000000000000, -0.0001493500000000 ] - [ -0.0006806200000000, 0.0004301100000000, 0.0005707400000000 ] - [ -0.0006806200000000, -0.0004301100000000, 0.0005707400000000 ] - [ 0.0047408800000000, 0.0000000000000000, -0.0017957900000000 ] - [ 0.0044515000000000, 0.0024287500000000, -0.0025555600000000 ] - [ 0.0044515000000000, -0.0024287500000000, -0.0025555600000000 ] - [ 0.0116531000000000, 0.0000000000000000, -0.0524355600000000 ] - [ 0.0103446700000000, -0.0026747200000000, -0.0027274100000000 ] - [ 0.0103446700000000, 0.0026747200000000, -0.0027274100000000 ] - [ 0.0012643500000000, 0.0000000000000000, -0.0086528900000000 ] - [ 0.0016317200000000, -0.0000628800000000, -0.0078431300000000 ] - [ 0.0016317200000000, 0.0000628800000000, -0.0078431300000000 ] - [ -0.0006953200000000, 0.0003288600000000, 0.0010970100000000 ] - [ -0.0006319100000000, 0.0000000000000000, 0.0000300800000000 ] - [ -0.0006953200000000, -0.0003288600000000, 0.0010970100000000 ] - [ 0.0032962300000000, 0.0003683700000000, 0.0007264100000000 ] - [ 0.0023897200000000, 0.0000000000000000, 0.0001786000000000 ] - [ 0.0032962300000000, -0.0003683700000000, 0.0007264100000000 ] - [ -0.0008236600000000, 0.0006813900000000, -0.0045937200000000 ] - [ -0.0006127000000000, 0.0000000000000000, -0.0037583200000000 ] - [ -0.0008236600000000, -0.0006813900000000, -0.0045937200000000 ] - [ 0.0008009000000000, 0.0005095400000000, 0.0006958400000000 ] - [ 0.0016156700000000, 0.0000000000000000, -0.0000412400000000 ] - [ 0.0008009000000000, -0.0005095400000000, 0.0006958400000000 ] - [ -0.0009251100000000, 0.0148891000000000, 0.0085335300000000 ] - [ 0.0000952000000000, 0.0000000000000000, -0.0036686800000000 ] - [ -0.0009251100000000, -0.0148891000000000, 0.0085335300000000 ] - [ 0.0024219000000000, 0.0000402300000000, 0.0005086600000000 ] - [ 0.0023893500000000, 0.0000000000000000, 0.0003755200000000 ] - [ 0.0024219000000000, -0.0000402300000000, 0.0005086600000000 ] - [ 0.0004309200000000, 0.0001393600000000, 0.0000404100000000 ] - [ 0.0004086500000000, 0.0000000000000000, -0.0005363000000000 ] - [ 0.0004309200000000, -0.0001393600000000, 0.0000404100000000 ] - [ -0.0004154800000000, -0.0002171000000000, 0.0003878100000000 ] - [ -0.0004864400000000, 0.0000000000000000, -0.0004830800000000 ] - [ -0.0004154800000000, 0.0002171000000000, 0.0003878100000000 ] - [ 0.0024006700000000, -0.0000337000000000, 0.0011282800000000 ] - [ 0.0024225600000000, 0.0000000000000000, 0.0010195300000000 ] - [ 0.0024006700000000, 0.0000337000000000, 0.0011282800000000 ] - [ -0.0004578400000000, 0.0000058600000000, 0.0003690200000000 ] - [ -0.0004613900000000, 0.0000000000000000, 0.0001491300000000 ] - [ -0.0004578400000000, -0.0000058600000000, 0.0003690200000000 ] - [ 0.0025379100000000, 0.0000396700000000, 0.0010178200000000 ] - [ 0.0025448600000000, 0.0000000000000000, 0.0008989900000000 ] - [ 0.0025379100000000, -0.0000396700000000, 0.0010178200000000 ] - [ 0.0001477800000000, 0.0000121400000000, 0.0003393700000000 ] - [ 0.0001445200000000, 0.0000000000000000, 0.0000418500000000 ] - [ 0.0001477800000000, -0.0000121400000000, 0.0003393700000000 ] - [ 0.0018200700000000, -0.0001580200000000, 0.0003408600000000 ] - [ 0.0025032000000000, 0.0000000000000000, -0.0002685800000000 ] - [ 0.0018200700000000, 0.0001580200000000, 0.0003408600000000 ] - [ -0.0003148200000000, -0.0000724300000000, -0.0002567400000000 ] - [ -0.0002868500000000, 0.0000000000000000, -0.0006552000000000 ] - [ -0.0003148200000000, 0.0000724300000000, -0.0002567400000000 ] - [ 0.0022665000000000, 0.0015833600000000, -0.0045761700000000 ] - [ 0.0009727500000000, 0.0000000000000000, -0.0007937800000000 ] - [ 0.0022665000000000, -0.0015833600000000, -0.0045761700000000 ] - [ 0.0001704200000000, -0.0002512300000000, -0.0023116900000000 ] - [ 0.0002893100000000, 0.0000000000000000, -0.0016853900000000 ] - [ 0.0001704200000000, 0.0002512300000000, -0.0023116900000000 ] - [ 0.0034397400000000, -0.0002960700000000, 0.0004099600000000 ] - [ 0.0027280400000000, 0.0000000000000000, -0.0001655400000000 ] - [ 0.0034397400000000, 0.0002960700000000, 0.0004099600000000 ] - [ -0.0015518500000000, -0.0138364300000000, 0.0057059300000000 ] - [ -0.0001200800000000, 0.0000000000000000, -0.0035916400000000 ] - [ -0.0015518500000000, 0.0138364300000000, 0.0057059300000000 ] - [ 0.0025716900000000, -0.0000244400000000, 0.0007753200000000 ] - [ 0.0025393800000000, 0.0000000000000000, 0.0006560100000000 ] - [ 0.0025716900000000, 0.0000244400000000, 0.0007753200000000 ] - [ 0.0055703700000000, -0.0018279500000000, -0.0045792600000000 ] - [ 0.0030120600000000, 0.0000000000000000, -0.0004427400000000 ] - [ 0.0055703700000000, 0.0018279500000000, -0.0045792600000000 ] - [ 0.0055177000000000, 0.0000000000000000, -0.0027747000000000 ] - [ 0.0055170700000000, 0.0001432100000000, -0.0028437900000000 ] - [ 0.0055170700000000, -0.0001432100000000, -0.0028437900000000 ] - [ 0.0046449800000000, 0.0000000000000000, -0.0027281500000000 ] - [ 0.0046471600000000, -0.0000868100000000, -0.0027794700000000 ] - [ 0.0046471600000000, 0.0000868100000000, -0.0027794700000000 ] - [ 0.0042573100000000, 0.0000000000000000, -0.0017649600000000 ] - [ 0.0049740500000000, 0.0006128600000000, -0.0026229100000000 ] - [ 0.0049740500000000, -0.0006128600000000, -0.0026229100000000 ] - [ 0.0069919900000000, 0.0000000000000000, 0.0009331000000000 ] - [ 0.0071150600000000, -0.0019134700000000, 0.0004998000000000 ] - [ 0.0071150600000000, 0.0019134700000000, 0.0004998000000000 ] - [ 0.0047274200000000, 0.0000000000000000, -0.0037751100000000 ] - [ 0.0047210100000000, 0.0001201900000000, -0.0038474900000000 ] - [ 0.0047210100000000, -0.0001201900000000, -0.0038474900000000 ] - [ 0.0051945000000000, 0.0000000000000000, -0.0034631700000000 ] - [ 0.0051992500000000, -0.0000662100000000, -0.0035230700000000 ] - [ 0.0051992500000000, 0.0000662100000000, -0.0035230700000000 ] - [ 0.0068386800000000, 0.0000000000000000, 0.0045467600000000 ] - [ 0.0068531700000000, -0.0004324100000000, 0.0044135800000000 ] - [ 0.0068531700000000, 0.0004324100000000, 0.0044135800000000 ] - [ 0.0051717700000000, 0.0000000000000000, 0.0009721000000000 ] - [ 0.0014518600000000, -0.0010792900000000, 0.0014132100000000 ] - [ 0.0014518600000000, 0.0010792900000000, 0.0014132100000000 ] - [ -0.0005893800000000, 0.0000000000000000, -0.0008941000000000 ] - [ -0.0005451500000000, -0.0002361400000000, -0.0005188100000000 ] - [ -0.0005451500000000, 0.0002361400000000, -0.0005188100000000 ] - [ -0.0003924000000000, 0.0000000000000000, -0.0009317900000000 ] - [ -0.0003938800000000, -0.0000096800000000, -0.0008688900000000 ] - [ -0.0003938800000000, 0.0000096800000000, -0.0008688900000000 ] - [ 0.0002420800000000, 0.0000000000000000, -0.0009768500000000 ] - [ 0.0001917900000000, -0.0002257600000000, -0.0005732500000000 ] - [ 0.0001917900000000, 0.0002257600000000, -0.0005732500000000 ] - [ -0.0005887100000000, 0.0000000000000000, -0.0007285200000000 ] - [ -0.0005873700000000, -0.0000066200000000, -0.0006652400000000 ] - [ -0.0005873700000000, 0.0000066200000000, -0.0006652400000000 ] - [ 0.0003776700000000, 0.0000000000000000, -0.0009407700000000 ] - [ 0.0003101000000000, 0.0001826100000000, -0.0006925900000000 ] - [ 0.0003101000000000, -0.0001826100000000, -0.0006925900000000 ] - [ -0.0009329800000000, 0.0000000000000000, -0.0010320100000000 ] - [ -0.0008605100000000, 0.0001563100000000, -0.0008016700000000 ] - [ -0.0008605100000000, -0.0001563100000000, -0.0008016700000000 ] - [ -0.0095373000000000, 0.0005784700000000, -0.0034061100000000 ] - [ -0.0094432500000000, 0.0000000000000000, -0.0031008300000000 ] - [ -0.0095373000000000, -0.0005784700000000, -0.0034061100000000 ] - [ -0.0126496800000000, -0.0033993800000000, 0.0261691900000000 ] - [ -0.0116821200000000, 0.0000000000000000, 0.0090630200000000 ] - [ -0.0126496800000000, 0.0033993800000000, 0.0261691900000000 ] - [ -0.0049521000000000, -0.0001142900000000, 0.0130479200000000 ] - [ -0.0032262300000000, 0.0000000000000000, 0.0110697300000000 ] - [ -0.0049521000000000, 0.0001142900000000, 0.0130479200000000 ] - [ -0.0074216700000000, -0.0016774000000000, -0.0025953400000000 ] - [ -0.0060410900000000, 0.0000000000000000, 0.0055132200000000 ] - [ -0.0074216700000000, 0.0016774000000000, -0.0025953400000000 ] - [ -0.0064603700000000, -0.0001106800000000, 0.0038988700000000 ] - [ -0.0064268900000000, 0.0000000000000000, 0.0043741300000000 ] - [ -0.0064603700000000, 0.0001106800000000, 0.0038988700000000 ] - [ -0.0075654500000000, -0.0001213900000000, 0.0022563200000000 ] - [ -0.0075668400000000, 0.0000000000000000, 0.0028655600000000 ] - [ -0.0075654500000000, 0.0001213900000000, 0.0022563200000000 ] - [ -0.0066723300000000, -0.0011018300000000, 0.0039144000000000 ] - [ -0.0068189900000000, 0.0000000000000000, 0.0041895600000000 ] - [ -0.0066723300000000, 0.0011018300000000, 0.0039144000000000 ] - [ -0.0069415300000000, 0.0000693000000000, 0.0020172800000000 ] - [ -0.0069424300000000, 0.0000000000000000, 0.0024950000000000 ] - [ -0.0069415300000000, -0.0000693000000000, 0.0020172800000000 ] - [ -0.0092871400000000, 0.0011021000000000, -0.0045579800000000 ] - [ -0.0086786200000000, 0.0000000000000000, 0.0023804200000000 ] - [ -0.0092871400000000, -0.0011021000000000, -0.0045579800000000 ] - [ -0.0070822800000000, 0.0000666900000000, 0.0033389100000000 ] - [ -0.0070617700000000, 0.0000000000000000, 0.0036936500000000 ] - [ -0.0070822800000000, -0.0000666900000000, 0.0033389100000000 ]- atom: 13 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ 0.0025051900000000, 0.0000000000000000, 0.0009618600000000 ] - [ -0.0002296800000000, 0.0003217300000000, -0.0006345200000000 ] - [ -0.0002296800000000, -0.0003217300000000, -0.0006345200000000 ] - [ -0.0034498800000000, 0.0000000000000000, 0.0016959200000000 ] - [ -0.0007100200000000, -0.0004840900000000, -0.0002368900000000 ] - [ -0.0007100200000000, 0.0004840900000000, -0.0002368900000000 ] - [ 0.0020286700000000, 0.0000000000000000, 0.0006664600000000 ] - [ 0.0003684800000000, -0.0004326900000000, 0.0000361900000000 ] - [ 0.0003684800000000, 0.0004326900000000, 0.0000361900000000 ] - [ 0.0042392500000000, 0.0000000000000000, -0.0055932500000000 ] - [ 0.0045225300000000, -0.0023965400000000, -0.0048412000000000 ] - [ 0.0045225300000000, 0.0023965400000000, -0.0048412000000000 ] - [ 0.0079148000000000, 0.0000000000000000, 0.0454864700000000 ] - [ 0.0089565000000000, 0.0024649600000000, -0.0041822500000000 ] - [ 0.0089565000000000, -0.0024649600000000, -0.0041822500000000 ] - [ 0.0014897800000000, 0.0000000000000000, -0.0057841300000000 ] - [ 0.0011282700000000, 0.0000579700000000, -0.0065909000000000 ] - [ 0.0011282700000000, -0.0000579700000000, -0.0065909000000000 ] - [ -0.0005989500000000, -0.0003233300000000, -0.0036908900000000 ] - [ -0.0006613000000000, 0.0000000000000000, -0.0026375700000000 ] - [ -0.0005989500000000, 0.0003233300000000, -0.0036908900000000 ] - [ 0.0006542300000000, -0.0003635100000000, -0.0002152100000000 ] - [ 0.0015476900000000, 0.0000000000000000, 0.0003275000000000 ] - [ 0.0006542300000000, 0.0003635100000000, -0.0002152100000000 ] - [ 0.0001782200000000, -0.0006716600000000, 0.0006068300000000 ] - [ -0.0000270100000000, 0.0000000000000000, -0.0002236100000000 ] - [ 0.0001782200000000, 0.0006716600000000, 0.0006068300000000 ] - [ 0.0030854400000000, -0.0005027300000000, -0.0005860200000000 ] - [ 0.0022787900000000, 0.0000000000000000, 0.0001431600000000 ] - [ 0.0030854400000000, 0.0005027300000000, -0.0005860200000000 ] - [ 0.0008114400000000, -0.0146641800000000, -0.0110911400000000 ] - [ -0.0001934600000000, 0.0000000000000000, 0.0009601700000000 ] - [ 0.0008114400000000, 0.0146641800000000, -0.0110911400000000 ] - [ 0.0021370400000000, -0.0000397100000000, -0.0006926300000000 ] - [ 0.0021704600000000, 0.0000000000000000, -0.0005608100000000 ] - [ 0.0021370400000000, 0.0000397100000000, -0.0006926300000000 ] - [ 0.0002569000000000, -0.0001374600000000, -0.0025065700000000 ] - [ 0.0002789200000000, 0.0000000000000000, -0.0019387000000000 ] - [ 0.0002569000000000, 0.0001374600000000, -0.0025065700000000 ] - [ -0.0005955700000000, 0.0002215200000000, -0.0042859700000000 ] - [ -0.0005238700000000, 0.0000000000000000, -0.0034057200000000 ] - [ -0.0005955700000000, -0.0002215200000000, -0.0042859700000000 ] - [ 0.0025642400000000, 0.0000341300000000, -0.0000499700000000 ] - [ 0.0025427800000000, 0.0000000000000000, 0.0000596900000000 ] - [ 0.0025642400000000, -0.0000341300000000, -0.0000499700000000 ] - [ -0.0004977200000000, -0.0000055900000000, -0.0026807400000000 ] - [ -0.0004936300000000, 0.0000000000000000, -0.0024626100000000 ] - [ -0.0004977200000000, 0.0000055900000000, -0.0026807400000000 ] - [ 0.0026727100000000, -0.0000391500000000, -0.0001338400000000 ] - [ 0.0026636300000000, 0.0000000000000000, -0.0000163100000000 ] - [ 0.0026727100000000, 0.0000391500000000, -0.0001338400000000 ] - [ 0.0001157900000000, -0.0000113700000000, -0.0033584100000000 ] - [ 0.0001191700000000, 0.0000000000000000, -0.0030606800000000 ] - [ 0.0001157900000000, 0.0000113700000000, -0.0033584100000000 ] - [ 0.0040581100000000, 0.0001588500000000, -0.0010415300000000 ] - [ 0.0033697800000000, 0.0000000000000000, -0.0004265700000000 ] - [ 0.0040581100000000, -0.0001588500000000, -0.0010415300000000 ] - [ -0.0002484100000000, 0.0000733200000000, -0.0025700400000000 ] - [ -0.0002766600000000, 0.0000000000000000, -0.0021663600000000 ] - [ -0.0002484100000000, -0.0000733200000000, -0.0025700400000000 ] - [ 0.0004928200000000, -0.0016077200000000, 0.0041893400000000 ] - [ 0.0018352600000000, 0.0000000000000000, 0.0004246700000000 ] - [ 0.0004928200000000, 0.0016077200000000, 0.0041893400000000 ] - [ 0.0006680200000000, 0.0002546100000000, 0.0014249500000000 ] - [ 0.0005469400000000, 0.0000000000000000, 0.0007981700000000 ] - [ 0.0006680200000000, -0.0002546100000000, 0.0014249500000000 ] - [ 0.0012523800000000, 0.0002996200000000, -0.0007412600000000 ] - [ 0.0019690600000000, 0.0000000000000000, -0.0001598100000000 ] - [ 0.0012523800000000, -0.0002996200000000, -0.0007412600000000 ] - [ 0.0013275900000000, 0.0140598500000000, -0.0099235100000000 ] - [ -0.0001317800000000, 0.0000000000000000, -0.0004857400000000 ] - [ 0.0013275900000000, -0.0140598500000000, -0.0099235100000000 ] - [ 0.0022884400000000, 0.0000247800000000, -0.0004039200000000 ] - [ 0.0023199200000000, 0.0000000000000000, -0.0002835000000000 ] - [ 0.0022884400000000, -0.0000247800000000, -0.0004039200000000 ] - [ -0.0006526000000000, 0.0017832700000000, 0.0051189600000000 ] - [ 0.0018427600000000, 0.0000000000000000, 0.0009644500000000 ] - [ -0.0006526000000000, -0.0017832700000000, 0.0051189600000000 ] - [ 0.0055368500000000, 0.0000000000000000, -0.0041604700000000 ] - [ 0.0055369900000000, -0.0001412600000000, -0.0040911500000000 ] - [ 0.0055369900000000, 0.0001412600000000, -0.0040911500000000 ] - [ 0.0046546100000000, 0.0000000000000000, -0.0040870600000000 ] - [ 0.0046527900000000, 0.0000882900000000, -0.0040351600000000 ] - [ 0.0046527900000000, -0.0000882900000000, -0.0040351600000000 ] - [ 0.0056245500000000, 0.0000000000000000, -0.0033848700000000 ] - [ 0.0049208000000000, -0.0006043300000000, -0.0025429700000000 ] - [ 0.0049208000000000, 0.0006043300000000, -0.0025429700000000 ] - [ 0.0068558400000000, 0.0000000000000000, -0.0022797800000000 ] - [ 0.0067286100000000, 0.0019381700000000, -0.0018497200000000 ] - [ 0.0067286100000000, -0.0019381700000000, -0.0018497200000000 ] - [ 0.0047114700000000, 0.0000000000000000, -0.0048926700000000 ] - [ 0.0047181500000000, -0.0001183600000000, -0.0048215800000000 ] - [ 0.0047181500000000, 0.0001183600000000, -0.0048215800000000 ] - [ 0.0052102200000000, 0.0000000000000000, -0.0045358200000000 ] - [ 0.0052052300000000, 0.0000678900000000, -0.0044755900000000 ] - [ 0.0052052300000000, -0.0000678900000000, -0.0044755900000000 ] - [ 0.0069155800000000, 0.0000000000000000, 0.0041882000000000 ] - [ 0.0069010900000000, 0.0004377300000000, 0.0043235200000000 ] - [ 0.0069010900000000, -0.0004377300000000, 0.0043235200000000 ] - [ -0.0044318200000000, 0.0000000000000000, -0.0005986800000000 ] - [ -0.0005911700000000, 0.0010684800000000, -0.0011722200000000 ] - [ -0.0005911700000000, -0.0010684800000000, -0.0011722200000000 ] - [ -0.0000189300000000, 0.0000000000000000, 0.0010679800000000 ] - [ -0.0000616700000000, 0.0002343600000000, 0.0006961300000000 ] - [ -0.0000616700000000, -0.0002343600000000, 0.0006961300000000 ] - [ -0.0003989600000000, 0.0000000000000000, 0.0005923300000000 ] - [ -0.0003984800000000, 0.0000086100000000, 0.0005291800000000 ] - [ -0.0003984800000000, -0.0000086100000000, 0.0005291800000000 ] - [ -0.0003118500000000, 0.0000000000000000, 0.0010688400000000 ] - [ -0.0002616100000000, 0.0002223600000000, 0.0006702400000000 ] - [ -0.0002616100000000, -0.0002223600000000, 0.0006702400000000 ] - [ -0.0005733800000000, 0.0000000000000000, 0.0008063300000000 ] - [ -0.0005743000000000, 0.0000061800000000, 0.0007429200000000 ] - [ -0.0005743000000000, -0.0000061800000000, 0.0007429200000000 ] - [ -0.0001986800000000, 0.0000000000000000, 0.0009978700000000 ] - [ -0.0001313100000000, -0.0001845100000000, 0.0007480200000000 ] - [ -0.0001313100000000, 0.0001845100000000, 0.0007480200000000 ] - [ -0.0002801100000000, 0.0000000000000000, 0.0007064400000000 ] - [ -0.0003519100000000, -0.0001581500000000, 0.0004752800000000 ] - [ -0.0003519100000000, 0.0001581500000000, 0.0004752800000000 ] - [ -0.0093344900000000, -0.0005859300000000, -0.0032295300000000 ] - [ -0.0094294200000000, 0.0000000000000000, -0.0035423000000000 ] - [ -0.0093344900000000, 0.0005859300000000, -0.0032295300000000 ] - [ -0.0097921200000000, 0.0026934700000000, -0.0157252700000000 ] - [ -0.0106825900000000, 0.0000000000000000, 0.0013089400000000 ] - [ -0.0097921200000000, -0.0026934700000000, -0.0157252700000000 ] - [ -0.0019804300000000, 0.0000976600000000, 0.0039468600000000 ] - [ -0.0037023900000000, 0.0000000000000000, 0.0059184800000000 ] - [ -0.0019804300000000, -0.0000976600000000, 0.0039468600000000 ] - [ -0.0045305000000000, 0.0016452800000000, 0.0123796000000000 ] - [ -0.0058894300000000, 0.0000000000000000, 0.0043569600000000 ] - [ -0.0045305000000000, -0.0016452800000000, 0.0123796000000000 ] - [ -0.0063306200000000, 0.0001074400000000, 0.0076290400000000 ] - [ -0.0063610100000000, 0.0000000000000000, 0.0071533100000000 ] - [ -0.0063306200000000, -0.0001074400000000, 0.0076290400000000 ] - [ -0.0074780800000000, 0.0001215600000000, 0.0072830200000000 ] - [ -0.0074786000000000, 0.0000000000000000, 0.0066834900000000 ] - [ -0.0074780800000000, -0.0001215600000000, 0.0072830200000000 ] - [ -0.0068383000000000, 0.0010878400000000, 0.0033763300000000 ] - [ -0.0066966700000000, 0.0000000000000000, 0.0031079800000000 ] - [ -0.0068383000000000, -0.0010878400000000, 0.0033763300000000 ] - [ -0.0069691100000000, -0.0000718200000000, 0.0069462600000000 ] - [ -0.0069685100000000, 0.0000000000000000, 0.0064628500000000 ] - [ -0.0069691100000000, 0.0000718200000000, 0.0069462600000000 ] - [ -0.0082324800000000, -0.0011201300000000, 0.0096072800000000 ] - [ -0.0088470400000000, 0.0000000000000000, 0.0025911100000000 ] - [ -0.0082324800000000, 0.0011201300000000, 0.0096072800000000 ] - [ -0.0069171400000000, -0.0000676800000000, 0.0069606500000000 ] - [ -0.0069372500000000, 0.0000000000000000, 0.0066073700000000 ] - [ -0.0069171400000000, 0.0000676800000000, 0.0069606500000000 ]- atom: 16 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0015313000000000, 0.0000000000000000, 0.0031083400000000 ] - [ -0.0003903100000000, 0.0002889100000000, 0.0003967800000000 ] - [ -0.0003903100000000, -0.0002889100000000, 0.0003967800000000 ] - [ -0.0019040700000000, 0.0000000000000000, -0.0029537800000000 ] - [ -0.0001939400000000, 0.0002422700000000, -0.0001738000000000 ] - [ -0.0001939400000000, -0.0002422700000000, -0.0001738000000000 ] - [ -0.0019749800000000, 0.0000000000000000, 0.0029882800000000 ] - [ -0.0001650700000000, -0.0003308400000000, 0.0007807000000000 ] - [ -0.0001650700000000, 0.0003308400000000, 0.0007807000000000 ] - [ 0.0055194900000000, 0.0000000000000000, -0.0030361500000000 ] - [ 0.0045580700000000, 0.0001287800000000, -0.0036951600000000 ] - [ 0.0045580700000000, -0.0001287800000000, -0.0036951600000000 ] - [ 0.0127655800000000, 0.0000000000000000, -0.0035529700000000 ] - [ 0.0122141000000000, -0.0000823300000000, -0.0031879400000000 ] - [ 0.0122141000000000, 0.0000823300000000, -0.0031879400000000 ] - [ -0.0413759700000000, 0.0000000000000000, -0.0079506300000000 ] - [ 0.0038604500000000, -0.0001756400000000, -0.0073759300000000 ] - [ 0.0038604500000000, 0.0001756400000000, -0.0073759300000000 ] - [ -0.0006168000000000, 0.0000559200000000, -0.0010843300000000 ] - [ -0.0006308300000000, 0.0000000000000000, -0.0012087000000000 ] - [ -0.0006168000000000, -0.0000559200000000, -0.0010843300000000 ] - [ 0.0020123400000000, -0.0000591900000000, 0.0000669300000000 ] - [ 0.0019271100000000, 0.0000000000000000, 0.0002126700000000 ] - [ 0.0020123400000000, 0.0000591900000000, 0.0000669300000000 ] - [ -0.0042636100000000, 0.0013162300000000, -0.0006705400000000 ] - [ -0.0004829800000000, 0.0000000000000000, -0.0022337900000000 ] - [ -0.0042636100000000, -0.0013162300000000, -0.0006705400000000 ] - [ 0.0018773400000000, 0.0003742500000000, 0.0002771100000000 ] - [ 0.0019823500000000, 0.0000000000000000, 0.0000789100000000 ] - [ 0.0018773400000000, -0.0003742500000000, 0.0002771100000000 ] - [ 0.0015897800000000, 0.0004448600000000, -0.0016870500000000 ] - [ 0.0000318700000000, 0.0000000000000000, -0.0015618600000000 ] - [ 0.0015897800000000, -0.0004448600000000, -0.0016870500000000 ] - [ 0.0022761400000000, 0.0000083700000000, -0.0000080000000000 ] - [ 0.0022756800000000, 0.0000000000000000, -0.0000299700000000 ] - [ 0.0022761400000000, -0.0000083700000000, -0.0000080000000000 ] - [ 0.0002871200000000, 0.0000397800000000, -0.0009369300000000 ] - [ 0.0003325200000000, 0.0000000000000000, -0.0010401600000000 ] - [ 0.0002871200000000, -0.0000397800000000, -0.0009369300000000 ] - [ -0.0004840400000000, -0.0000116000000000, -0.0017706000000000 ] - [ -0.0005053900000000, 0.0000000000000000, -0.0018308300000000 ] - [ -0.0004840400000000, 0.0000116000000000, -0.0017706000000000 ] - [ 0.0025009200000000, -0.0000035400000000, 0.0006202400000000 ] - [ 0.0024983000000000, 0.0000000000000000, 0.0006095500000000 ] - [ 0.0025009200000000, 0.0000035400000000, 0.0006202400000000 ] - [ -0.0004753600000000, 0.0000017100000000, -0.0008909800000000 ] - [ -0.0004761800000000, 0.0000000000000000, -0.0009340700000000 ] - [ -0.0004753600000000, -0.0000017100000000, -0.0008909800000000 ] - [ 0.0026164900000000, 0.0000073000000000, 0.0005255100000000 ] - [ 0.0026148400000000, 0.0000000000000000, 0.0005137900000000 ] - [ 0.0026164900000000, -0.0000073000000000, 0.0005255100000000 ] - [ 0.0001335000000000, 0.0000029400000000, -0.0012839500000000 ] - [ 0.0001346100000000, 0.0000000000000000, -0.0013180100000000 ] - [ 0.0001335000000000, -0.0000029400000000, -0.0012839500000000 ] - [ 0.0030776600000000, -0.0000874500000000, -0.0002221600000000 ] - [ 0.0030066800000000, 0.0000000000000000, -0.0003406500000000 ] - [ 0.0030776600000000, 0.0000874500000000, -0.0002221600000000 ] - [ -0.0003143000000000, -0.0000678000000000, -0.0009809300000000 ] - [ -0.0002945200000000, 0.0000000000000000, -0.0011873600000000 ] - [ -0.0003143000000000, 0.0000678000000000, -0.0009809300000000 ] - [ 0.0154600800000000, -0.0127390300000000, -0.0002284800000000 ] - [ 0.0019462300000000, 0.0000000000000000, -0.0001762500000000 ] - [ 0.0154600800000000, 0.0127390300000000, -0.0002284800000000 ] - [ -0.0030103700000000, -0.0023507800000000, 0.0020218800000000 ] - [ 0.0003358300000000, 0.0000000000000000, -0.0007089300000000 ] - [ -0.0030103700000000, 0.0023507800000000, 0.0020218800000000 ] - [ 0.0020750800000000, 0.0001154200000000, -0.0002830700000000 ] - [ 0.0022639000000000, 0.0000000000000000, -0.0002067600000000 ] - [ 0.0020750800000000, -0.0001154200000000, -0.0002830700000000 ] - [ 0.0010915200000000, -0.0001411600000000, -0.0019140500000000 ] - [ -0.0000634400000000, 0.0000000000000000, -0.0022092300000000 ] - [ 0.0010915200000000, 0.0001411600000000, -0.0019140500000000 ] - [ 0.0024176400000000, -0.0000018000000000, 0.0002674800000000 ] - [ 0.0024207800000000, 0.0000000000000000, 0.0002513600000000 ] - [ 0.0024176400000000, 0.0000018000000000, 0.0002674800000000 ] - [ 0.0148557100000000, 0.0146858300000000, -0.0007527400000000 ] - [ 0.0028745400000000, 0.0000000000000000, 0.0001773200000000 ] - [ 0.0148557100000000, -0.0146858300000000, -0.0007527400000000 ] - [ 0.0055275500000000, 0.0000000000000000, -0.0033779700000000 ] - [ 0.0055322700000000, 0.0000257900000000, -0.0033925800000000 ] - [ 0.0055322700000000, -0.0000257900000000, -0.0033925800000000 ] - [ 0.0046503800000000, 0.0000000000000000, -0.0033289600000000 ] - [ 0.0046519000000000, -0.0000076100000000, -0.0033357000000000 ] - [ 0.0046519000000000, 0.0000076100000000, -0.0033357000000000 ] - [ 0.0043467200000000, 0.0000000000000000, -0.0023198800000000 ] - [ 0.0049207200000000, 0.0003066500000000, -0.0024255300000000 ] - [ 0.0049207200000000, -0.0003066500000000, -0.0024255300000000 ] - [ 0.0071171800000000, 0.0000000000000000, -0.0006419600000000 ] - [ 0.0069680400000000, -0.0000743000000000, -0.0006588200000000 ] - [ 0.0069680400000000, 0.0000743000000000, -0.0006588200000000 ] - [ 0.0047240200000000, 0.0000000000000000, -0.0042333400000000 ] - [ 0.0047162000000000, 0.0000180400000000, -0.0042477900000000 ] - [ 0.0047162000000000, -0.0000180400000000, -0.0042477900000000 ] - [ 0.0052034100000000, 0.0000000000000000, -0.0039020600000000 ] - [ 0.0052043000000000, -0.0000131200000000, -0.0039040800000000 ] - [ 0.0052043000000000, 0.0000131200000000, -0.0039040800000000 ] - [ 0.0066232500000000, 0.0000000000000000, 0.0046006800000000 ] - [ 0.0068649000000000, -0.0004144900000000, 0.0046157900000000 ] - [ 0.0068649000000000, 0.0004144900000000, 0.0046157900000000 ] - [ -0.0016798100000000, 0.0000000000000000, -0.0037436100000000 ] - [ 0.0003293000000000, -0.0006350400000000, -0.0004116700000000 ] - [ 0.0003293000000000, 0.0006350400000000, -0.0004116700000000 ] - [ -0.0003188400000000, 0.0000000000000000, -0.0000077300000000 ] - [ -0.0002717000000000, -0.0000123400000000, 0.0000391700000000 ] - [ -0.0002717000000000, 0.0000123400000000, 0.0000391700000000 ] - [ -0.0003983200000000, 0.0000000000000000, -0.0002782900000000 ] - [ -0.0003981100000000, -0.0000028000000000, -0.0002686600000000 ] - [ -0.0003981100000000, 0.0000028000000000, -0.0002686600000000 ] - [ -0.0000245900000000, 0.0000000000000000, -0.0002273800000000 ] - [ -0.0000692000000000, -0.0000542000000000, -0.0000670700000000 ] - [ -0.0000692000000000, 0.0000542000000000, -0.0000670700000000 ] - [ -0.0005787400000000, 0.0000000000000000, -0.0000726800000000 ] - [ -0.0005794400000000, -0.0000011600000000, -0.0000634200000000 ] - [ -0.0005794400000000, 0.0000011600000000, -0.0000634200000000 ] - [ 0.0000414600000000, 0.0000000000000000, -0.0001332800000000 ] - [ 0.0000478700000000, 0.0000300300000000, -0.0000809600000000 ] - [ 0.0000478700000000, -0.0000300300000000, -0.0000809600000000 ] - [ -0.0005487500000000, 0.0000000000000000, -0.0002364300000000 ] - [ -0.0005652800000000, 0.0000065100000000, -0.0002256500000000 ] - [ -0.0005652800000000, -0.0000065100000000, -0.0002256500000000 ] - [ -0.0087908200000000, 0.0000945100000000, -0.0048096700000000 ] - [ -0.0093638700000000, 0.0000000000000000, -0.0032756800000000 ] - [ -0.0087908200000000, -0.0000945100000000, -0.0048096700000000 ] - [ -0.0298614300000000, 0.0001974400000000, 0.0032495800000000 ] - [ -0.0119569400000000, 0.0000000000000000, 0.0053896000000000 ] - [ -0.0298614300000000, -0.0001974400000000, 0.0032495800000000 ] - [ 0.0106087300000000, 0.0012029600000000, 0.0093270000000000 ] - [ -0.0030588400000000, 0.0000000000000000, 0.0089557800000000 ] - [ 0.0106087300000000, -0.0012029600000000, 0.0093270000000000 ] - [ -0.0064142100000000, -0.0004932000000000, 0.0049608600000000 ] - [ -0.0060230200000000, 0.0000000000000000, 0.0050273400000000 ] - [ -0.0064142100000000, 0.0004932000000000, 0.0049608600000000 ] - [ -0.0064038400000000, -0.0000217100000000, 0.0054279400000000 ] - [ -0.0063927900000000, 0.0000000000000000, 0.0054914600000000 ] - [ -0.0064038400000000, 0.0000217100000000, 0.0054279400000000 ] - [ -0.0075271600000000, -0.0000230700000000, 0.0044840500000000 ] - [ -0.0075353300000000, 0.0000000000000000, 0.0045762400000000 ] - [ -0.0075271600000000, 0.0000230700000000, 0.0044840500000000 ] - [ -0.0062204700000000, -0.0001537000000000, 0.0031053700000000 ] - [ -0.0066840400000000, 0.0000000000000000, 0.0036862000000000 ] - [ -0.0062204700000000, 0.0001537000000000, 0.0031053700000000 ] - [ -0.0069556600000000, 0.0000061600000000, 0.0042193600000000 ] - [ -0.0069609000000000, 0.0000000000000000, 0.0042646300000000 ] - [ -0.0069556600000000, -0.0000061600000000, 0.0042193600000000 ] - [ -0.0090548800000000, 0.0000651900000000, 0.0023307500000000 ] - [ -0.0088109400000000, 0.0000000000000000, 0.0025288600000000 ] - [ -0.0090548800000000, -0.0000651900000000, 0.0023307500000000 ] - [ -0.0070135000000000, 0.0000044900000000, 0.0047914200000000 ] - [ -0.0070061700000000, 0.0000000000000000, 0.0048589700000000 ] - [ -0.0070135000000000, -0.0000044900000000, 0.0047914200000000 ]- atom: 16 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0004269100000000, 0.0000000000000000, -0.0032267400000000 ] - [ -0.0006911400000000, -0.0002937200000000, -0.0005279000000000 ] - [ -0.0006911400000000, 0.0002937200000000, -0.0005279000000000 ] - [ 0.0016311900000000, 0.0000000000000000, 0.0030888100000000 ] - [ -0.0000804400000000, -0.0002455600000000, 0.0002884700000000 ] - [ -0.0000804400000000, 0.0002455600000000, 0.0002884700000000 ] - [ 0.0016650700000000, 0.0000000000000000, -0.0023456500000000 ] - [ -0.0001376300000000, 0.0003248600000000, -0.0001569200000000 ] - [ -0.0001376300000000, -0.0003248600000000, -0.0001569200000000 ] - [ 0.0034671400000000, 0.0000000000000000, -0.0043459600000000 ] - [ 0.0044157700000000, -0.0001182400000000, -0.0037014700000000 ] - [ 0.0044157700000000, 0.0001182400000000, -0.0037014700000000 ] - [ 0.0065308400000000, 0.0000000000000000, -0.0033329200000000 ] - [ 0.0070696200000000, 0.0001567400000000, -0.0036958700000000 ] - [ 0.0070696200000000, -0.0001567400000000, -0.0036958700000000 ] - [ 0.0439924800000000, 0.0000000000000000, -0.0065937700000000 ] - [ -0.0010990600000000, -0.0000630900000000, -0.0070719400000000 ] - [ -0.0010990600000000, 0.0000630900000000, -0.0070719400000000 ] - [ -0.0006769500000000, -0.0000542700000000, -0.0015109800000000 ] - [ -0.0006624400000000, 0.0000000000000000, -0.0013948200000000 ] - [ -0.0006769500000000, 0.0000542700000000, -0.0015109800000000 ] - [ 0.0019417700000000, 0.0000629200000000, 0.0004496900000000 ] - [ 0.0020180500000000, 0.0000000000000000, 0.0002988500000000 ] - [ 0.0019417700000000, -0.0000629200000000, 0.0004496900000000 ] - [ 0.0036036700000000, -0.0013600900000000, -0.0033826900000000 ] - [ -0.0001584100000000, 0.0000000000000000, -0.0017606800000000 ] - [ 0.0036036700000000, 0.0013600900000000, -0.0033826900000000 ] - [ 0.0020036800000000, -0.0003671800000000, -0.0001633100000000 ] - [ 0.0019063500000000, 0.0000000000000000, 0.0000285200000000 ] - [ 0.0020036800000000, 0.0003671800000000, -0.0001633100000000 ] - [ -0.0016867500000000, -0.0004355100000000, -0.0009420600000000 ] - [ -0.0001345300000000, 0.0000000000000000, -0.0010859900000000 ] - [ -0.0016867500000000, 0.0004355100000000, -0.0009420600000000 ] - [ 0.0022840400000000, -0.0000081000000000, -0.0001757300000000 ] - [ 0.0022860500000000, 0.0000000000000000, -0.0001545400000000 ] - [ 0.0022840400000000, 0.0000081000000000, -0.0001757300000000 ] - [ 0.0004014100000000, -0.0000385600000000, -0.0015344800000000 ] - [ 0.0003561100000000, 0.0000000000000000, -0.0014365900000000 ] - [ 0.0004014100000000, 0.0000385600000000, -0.0015344800000000 ] - [ -0.0005263500000000, 0.0000129600000000, -0.0021267700000000 ] - [ -0.0005048700000000, 0.0000000000000000, -0.0020617500000000 ] - [ -0.0005263500000000, -0.0000129600000000, -0.0021267700000000 ] - [ 0.0024643800000000, 0.0000039300000000, 0.0004582200000000 ] - [ 0.0024675300000000, 0.0000000000000000, 0.0004695600000000 ] - [ 0.0024643800000000, -0.0000039300000000, 0.0004582200000000 ] - [ -0.0004796900000000, -0.0000014700000000, -0.0014223700000000 ] - [ -0.0004784300000000, 0.0000000000000000, -0.0013810300000000 ] - [ -0.0004796900000000, 0.0000014700000000, -0.0014223700000000 ] - [ 0.0025948300000000, -0.0000068700000000, 0.0003585000000000 ] - [ 0.0025939000000000, 0.0000000000000000, 0.0003693800000000 ] - [ 0.0025948300000000, 0.0000068700000000, 0.0003585000000000 ] - [ 0.0001307200000000, -0.0000025700000000, -0.0017359800000000 ] - [ 0.0001295000000000, 0.0000000000000000, -0.0017005600000000 ] - [ 0.0001307200000000, 0.0000025700000000, -0.0017359800000000 ] - [ 0.0028046700000000, 0.0000894400000000, -0.0004803900000000 ] - [ 0.0028733600000000, 0.0000000000000000, -0.0003582300000000 ] - [ 0.0028046700000000, -0.0000894400000000, -0.0004803900000000 ] - [ -0.0002482000000000, 0.0000690600000000, -0.0018456000000000 ] - [ -0.0002684400000000, 0.0000000000000000, -0.0016341100000000 ] - [ -0.0002482000000000, -0.0000690600000000, -0.0018456000000000 ] - [ -0.0127302100000000, 0.0129575400000000, -0.0001218800000000 ] - [ 0.0009413700000000, 0.0000000000000000, -0.0001882300000000 ] - [ -0.0127302100000000, -0.0129575400000000, -0.0001218800000000 ] - [ 0.0038732400000000, 0.0023332100000000, -0.0028615100000000 ] - [ 0.0005047000000000, 0.0000000000000000, -0.0001650600000000 ] - [ 0.0038732400000000, -0.0023332100000000, -0.0028615100000000 ] - [ 0.0026128100000000, -0.0001132500000000, -0.0000524800000000 ] - [ 0.0024266600000000, 0.0000000000000000, -0.0001233500000000 ] - [ 0.0026128100000000, 0.0001132500000000, -0.0000524800000000 ] - [ -0.0013403200000000, 0.0001454300000000, -0.0022395000000000 ] - [ -0.0001860300000000, 0.0000000000000000, -0.0019198800000000 ] - [ -0.0013403200000000, -0.0001454300000000, -0.0022395000000000 ] - [ 0.0024438000000000, 0.0000021000000000, 0.0001036700000000 ] - [ 0.0024395400000000, 0.0000000000000000, 0.0001205400000000 ] - [ 0.0024438000000000, -0.0000021000000000, 0.0001036700000000 ] - [ -0.0099177700000000, -0.0144323000000000, 0.0012539900000000 ] - [ 0.0019010700000000, 0.0000000000000000, 0.0003475200000000 ] - [ -0.0099177700000000, 0.0144323000000000, 0.0012539900000000 ] - [ 0.0055272800000000, 0.0000000000000000, -0.0035567300000000 ] - [ 0.0055223000000000, -0.0000248900000000, -0.0035422400000000 ] - [ 0.0055223000000000, 0.0000248900000000, -0.0035422400000000 ] - [ 0.0046500500000000, 0.0000000000000000, -0.0034853700000000 ] - [ 0.0046486900000000, 0.0000087200000000, -0.0034781300000000 ] - [ 0.0046486900000000, -0.0000087200000000, -0.0034781300000000 ] - [ 0.0055458200000000, 0.0000000000000000, -0.0028416400000000 ] - [ 0.0049747700000000, -0.0003064900000000, -0.0027450100000000 ] - [ 0.0049747700000000, 0.0003064900000000, -0.0027450100000000 ] - [ 0.0067288000000000, 0.0000000000000000, -0.0007106300000000 ] - [ 0.0068781400000000, 0.0000801800000000, -0.0006900200000000 ] - [ 0.0068781400000000, -0.0000801800000000, -0.0006900200000000 ] - [ 0.0047164000000000, 0.0000000000000000, -0.0044348300000000 ] - [ 0.0047241000000000, -0.0000160500000000, -0.0044213600000000 ] - [ 0.0047241000000000, 0.0000160500000000, -0.0044213600000000 ] - [ 0.0052016700000000, 0.0000000000000000, -0.0040966400000000 ] - [ 0.0052006500000000, 0.0000146000000000, -0.0040942100000000 ] - [ 0.0052006500000000, -0.0000146000000000, -0.0040942100000000 ] - [ 0.0071309500000000, 0.0000000000000000, 0.0041389000000000 ] - [ 0.0068887100000000, 0.0004158700000000, 0.0041249900000000 ] - [ 0.0068887100000000, -0.0004158700000000, 0.0041249900000000 ] - [ 0.0026398100000000, 0.0000000000000000, 0.0040253200000000 ] - [ 0.0005611500000000, 0.0006258000000000, 0.0006265500000000 ] - [ 0.0005611500000000, -0.0006258000000000, 0.0006265500000000 ] - [ -0.0002908700000000, 0.0000000000000000, 0.0001831500000000 ] - [ -0.0003356700000000, 0.0000112200000000, 0.0001386600000000 ] - [ -0.0003356700000000, -0.0000112200000000, 0.0001386600000000 ] - [ -0.0003927800000000, 0.0000000000000000, -0.0000598200000000 ] - [ -0.0003938600000000, 0.0000017600000000, -0.0000696500000000 ] - [ -0.0003938600000000, -0.0000017600000000, -0.0000696500000000 ] - [ -0.0000423500000000, 0.0000000000000000, 0.0003205800000000 ] - [ 0.0000005000000000, 0.0000519600000000, 0.0001650500000000 ] - [ 0.0000005000000000, -0.0000519600000000, 0.0001650500000000 ] - [ -0.0005830400000000, 0.0000000000000000, 0.0001521100000000 ] - [ -0.0005818900000000, 0.0000008900000000, 0.0001425800000000 ] - [ -0.0005818900000000, -0.0000008900000000, 0.0001425800000000 ] - [ 0.0001366800000000, 0.0000000000000000, 0.0001922100000000 ] - [ 0.0001309600000000, -0.0000315300000000, 0.0001383500000000 ] - [ 0.0001309600000000, 0.0000315300000000, 0.0001383500000000 ] - [ -0.0006630000000000, 0.0000000000000000, -0.0000868600000000 ] - [ -0.0006468000000000, -0.0000083700000000, -0.0000982800000000 ] - [ -0.0006468000000000, 0.0000083700000000, -0.0000982800000000 ] - [ -0.0100739100000000, -0.0001033100000000, -0.0018389000000000 ] - [ -0.0095049300000000, 0.0000000000000000, -0.0033707500000000 ] - [ -0.0100739100000000, 0.0001033100000000, -0.0018389000000000 ] - [ 0.0074738100000000, -0.0002562800000000, 0.0071254200000000 ] - [ -0.0104178500000000, 0.0000000000000000, 0.0049772900000000 ] - [ 0.0074738100000000, 0.0002562800000000, 0.0071254200000000 ] - [ -0.0175538300000000, -0.0020080700000000, 0.0076994100000000 ] - [ -0.0038717500000000, 0.0000000000000000, 0.0080349300000000 ] - [ -0.0175538300000000, 0.0020080700000000, 0.0076994100000000 ] - [ -0.0055295300000000, 0.0004760600000000, 0.0048442500000000 ] - [ -0.0059123300000000, 0.0000000000000000, 0.0048024000000000 ] - [ -0.0055295300000000, -0.0004760600000000, 0.0048442500000000 ] - [ -0.0063868500000000, 0.0000188400000000, 0.0061054000000000 ] - [ -0.0063946700000000, 0.0000000000000000, 0.0060396700000000 ] - [ -0.0063868500000000, -0.0000188400000000, 0.0061054000000000 ] - [ -0.0075161900000000, 0.0000238200000000, 0.0050585100000000 ] - [ -0.0075094900000000, 0.0000000000000000, 0.0049740000000000 ] - [ -0.0075161900000000, -0.0000238200000000, 0.0050585100000000 ] - [ -0.0072941400000000, 0.0001443500000000, 0.0042108100000000 ] - [ -0.0068319600000000, 0.0000000000000000, 0.0036183300000000 ] - [ -0.0072941400000000, -0.0001443500000000, 0.0042108100000000 ] - [ -0.0069544900000000, -0.0000080500000000, 0.0047457900000000 ] - [ -0.0069492600000000, 0.0000000000000000, 0.0046958500000000 ] - [ -0.0069544900000000, 0.0000080500000000, 0.0047457900000000 ] - [ -0.0084687200000000, -0.0000716100000000, 0.0027025600000000 ] - [ -0.0087128000000000, 0.0000000000000000, 0.0024835100000000 ] - [ -0.0084687200000000, 0.0000716100000000, 0.0027025600000000 ] - [ -0.0069845000000000, -0.0000051700000000, 0.0055104900000000 ] - [ -0.0069916300000000, 0.0000000000000000, 0.0054442200000000 ] - [ -0.0069845000000000, 0.0000051700000000, 0.0055104900000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005926000000000, 0.0055239800000000, 0.0000000600000000 ] - [ 0.0006244500000000, -0.0021094600000000, -0.0018785900000000 ] - [ -0.0016853300000000, -0.0021243100000000, 0.0017358100000000 ] - [ -0.0001808800000000, 0.0050385900000000, -0.0000022500000000 ] - [ 0.0011241800000000, -0.0020903000000000, 0.0015082300000000 ] - [ -0.0013803900000000, -0.0021033300000000, -0.0013879400000000 ] - [ -0.0001033600000000, 0.0049849900000000, 0.0002627200000000 ] - [ -0.0011787200000000, -0.0021777700000000, 0.0021562600000000 ] - [ 0.0008609000000000, -0.0021891000000000, -0.0015258100000000 ] - [ 0.0044737300000000, -0.0043394700000000, -0.0037179000000000 ] - [ 0.0048668900000000, 0.0021435900000000, -0.0029279700000000 ] - [ 0.0041116300000000, 0.0021655000000000, -0.0044703600000000 ] - [ 0.0096528100000000, -0.0208963700000000, -0.0034371200000000 ] - [ 0.0110128300000000, 0.0122770200000000, -0.0033793200000000 ] - [ 0.0082839100000000, 0.0123115000000000, -0.0035025700000000 ] - [ 0.0012942000000000, -0.3285140800000000, -0.0069268900000000 ] - [ 0.0014444600000000, 0.0656628700000000, -0.0044867100000000 ] - [ 0.0013323300000000, 0.0649185800000000, -0.0098595500000000 ] - [ -0.0005770100000000, -0.0003468500000000, 0.0006128500000000 ] - [ -0.0006465600000000, 0.0006914700000000, -0.0012990100000000 ] - [ -0.0007156300000000, -0.0003410600000000, -0.0032295200000000 ] - [ 0.0003346600000000, -0.0006560300000000, 0.0022660700000000 ] - [ 0.0019641000000000, 0.0012761000000000, 0.0002606500000000 ] - [ 0.0036028100000000, -0.0006408700000000, -0.0017645400000000 ] - [ 0.0031738800000000, 0.0131496700000000, 0.0355782300000000 ] - [ -0.0003139900000000, 0.0061342200000000, -0.0019281100000000 ] - [ -0.0037876800000000, 0.0132449100000000, -0.0392018600000000 ] - [ 0.0039765500000000, -0.0009393200000000, 0.0027121700000000 ] - [ 0.0019530800000000, 0.0017104700000000, 0.0000604300000000 ] - [ -0.0000691400000000, -0.0009188200000000, -0.0026128600000000 ] - [ 0.0001538600000000, -0.0014321700000000, 0.0043942000000000 ] - [ -0.0000491000000000, 0.0028150400000000, -0.0013124200000000 ] - [ -0.0002637100000000, -0.0013989400000000, -0.0070454600000000 ] - [ 0.0022314900000000, -0.0001521000000000, 0.0002023900000000 ] - [ 0.0022788400000000, 0.0002944800000000, -0.0000919600000000 ] - [ 0.0023242200000000, -0.0001502700000000, -0.0003890600000000 ] - [ 0.0001287100000000, -0.0004819200000000, 0.0022244400000000 ] - [ 0.0003432000000000, 0.0014798500000000, -0.0012243300000000 ] - [ 0.0005581300000000, -0.0004778800000000, -0.0046888200000000 ] - [ -0.0005801500000000, -0.0003570400000000, -0.0038831600000000 ] - [ -0.0005052700000000, 0.0007158200000000, -0.0019503400000000 ] - [ -0.0004299200000000, -0.0003538600000000, -0.0000042900000000 ] - [ 0.0023929600000000, -0.0001808400000000, 0.0002047700000000 ] - [ 0.0024815000000000, 0.0003543900000000, 0.0005384300000000 ] - [ 0.0025698200000000, -0.0001794600000000, 0.0008738800000000 ] - [ -0.0005600800000000, -0.0001217200000000, -0.0012371400000000 ] - [ -0.0004778400000000, 0.0003470200000000, -0.0011585600000000 ] - [ -0.0003959000000000, -0.0001212100000000, -0.0010792400000000 ] - [ 0.0027295400000000, -0.0001653500000000, 0.0007056200000000 ] - [ 0.0026061100000000, 0.0003301500000000, 0.0004418600000000 ] - [ 0.0024848900000000, -0.0001637900000000, 0.0001757400000000 ] - [ 0.0001269800000000, -0.0001269400000000, -0.0015338200000000 ] - [ 0.0001320600000000, 0.0002542900000000, -0.0015108300000000 ] - [ 0.0001372600000000, -0.0001259600000000, -0.0014905100000000 ] - [ 0.0010163800000000, -0.0006640000000000, -0.0028709800000000 ] - [ 0.0029317500000000, 0.0011740100000000, -0.0003554300000000 ] - [ 0.0048529300000000, -0.0006563900000000, 0.0021746400000000 ] - [ -0.0003610400000000, -0.0005098500000000, -0.0057219300000000 ] - [ -0.0002815600000000, 0.0015535200000000, -0.0014266700000000 ] - [ -0.0002024000000000, -0.0005066000000000, 0.0028832700000000 ] - [ -0.0292069400000000, 0.0098104100000000, 0.0015840900000000 ] - [ 0.0013832300000000, 0.0058920600000000, -0.0001800500000000 ] - [ 0.0318305800000000, 0.0099155700000000, -0.0019059900000000 ] - [ -0.0016892700000000, 0.0095087000000000, -0.0353138900000000 ] - [ 0.0004172300000000, 0.0047508500000000, -0.0005010300000000 ] - [ 0.0024857600000000, 0.0096241900000000, 0.0341357200000000 ] - [ 0.0042114500000000, -0.0006562800000000, -0.0025122000000000 ] - [ 0.0023533300000000, 0.0013157100000000, -0.0001706100000000 ] - [ 0.0004938400000000, -0.0006447900000000, 0.0021910700000000 ] - [ 0.0001004500000000, -0.0010654600000000, -0.0078750200000000 ] - [ -0.0001250600000000, 0.0019858000000000, -0.0020738600000000 ] - [ -0.0003425400000000, -0.0010462800000000, 0.0037553000000000 ] - [ 0.0025322600000000, -0.0001556600000000, -0.0001945100000000 ] - [ 0.0024311900000000, 0.0003067500000000, 0.0001847800000000 ] - [ 0.0023309800000000, -0.0001544400000000, 0.0005662400000000 ] - [ 0.0355854300000000, 0.0122516600000000, -0.0010754000000000 ] - [ 0.0024539500000000, 0.0066777200000000, 0.0002618900000000 ] - [ -0.0303995300000000, 0.0123581700000000, 0.0015635100000000 ] - [ 0.0055273300000000, -0.0010163200000000, -0.0034695600000000 ] - [ 0.0055489500000000, 0.0005079600000000, -0.0033219500000000 ] - [ 0.0055055200000000, 0.0005131700000000, -0.0036145000000000 ] - [ 0.0046497800000000, -0.0009763700000000, -0.0034066300000000 ] - [ 0.0046670600000000, 0.0004879000000000, -0.0035810000000000 ] - [ 0.0046334100000000, 0.0004910200000000, -0.0032336600000000 ] - [ 0.0049485100000000, -0.0103119100000000, -0.0025907600000000 ] - [ 0.0047237800000000, 0.0059541900000000, 0.0002974000000000 ] - [ 0.0051689700000000, 0.0059702900000000, -0.0054456000000000 ] - [ 0.0069224600000000, -0.0044928400000000, -0.0006671000000000 ] - [ 0.0069738900000000, 0.0022336600000000, -0.0012963400000000 ] - [ 0.0068715900000000, 0.0022505200000000, -0.0000493900000000 ] - [ 0.0047196100000000, -0.0012022600000000, -0.0043348000000000 ] - [ 0.0047356200000000, 0.0006435300000000, -0.0041837500000000 ] - [ 0.0047043200000000, 0.0006477600000000, -0.0044848700000000 ] - [ 0.0052021500000000, -0.0012573400000000, -0.0040000300000000 ] - [ 0.0052175700000000, 0.0006734900000000, -0.0042161200000000 ] - [ 0.0051868000000000, 0.0006763500000000, -0.0037852800000000 ] - [ 0.0068791500000000, -0.0103874400000000, 0.0043738800000000 ] - [ 0.0072177700000000, 0.0059481600000000, 0.0019845100000000 ] - [ 0.0065385200000000, 0.0059627500000000, 0.0067402300000000 ] - [ 0.0005476000000000, 0.0129097600000000, 0.0002195000000000 ] - [ -0.0026672600000000, -0.0050412000000000, -0.0035181300000000 ] - [ 0.0035081300000000, -0.0050721700000000, 0.0037105100000000 ] - [ -0.0003019100000000, 0.0014377000000000, 0.0000963200000000 ] - [ -0.0000453300000000, -0.0007058400000000, -0.0006502400000000 ] - [ -0.0005563200000000, -0.0007134400000000, 0.0008290500000000 ] - [ -0.0003953000000000, 0.0005087500000000, -0.0001678500000000 ] - [ -0.0003873000000000, -0.0002542900000000, -0.0001727400000000 ] - [ -0.0004034600000000, -0.0002555000000000, -0.0001637400000000 ] - [ -0.0000364500000000, 0.0016562400000000, 0.0000553100000000 ] - [ -0.0002793700000000, -0.0008190900000000, -0.0007738100000000 ] - [ 0.0002048500000000, -0.0008256300000000, 0.0008711500000000 ] - [ -0.0005816400000000, 0.0005162100000000, 0.0000407000000000 ] - [ -0.0005880200000000, -0.0002566700000000, 0.0000411200000000 ] - [ -0.0005754900000000, -0.0002585300000000, 0.0000397600000000 ] - [ 0.0000903900000000, 0.0016308000000000, 0.0000257500000000 ] - [ 0.0003460900000000, -0.0008066900000000, 0.0007807900000000 ] - [ -0.0001627900000000, -0.0008118400000000, -0.0007208300000000 ] - [ -0.0006077700000000, 0.0016606100000000, -0.0001656400000000 ] - [ -0.0008850300000000, -0.0008214300000000, 0.0005447500000000 ] - [ -0.0003325200000000, -0.0008265200000000, -0.0008672000000000 ] - [ -0.0123980400000000, 0.0043075300000000, 0.0196530000000000 ] - [ -0.0094406500000000, -0.0094427400000000, -0.0032700700000000 ] - [ -0.0064879100000000, 0.0042655400000000, -0.0262613100000000 ] - [ -0.0112231100000000, 0.0084528200000000, 0.0054026700000000 ] - [ -0.0111873700000000, -0.0186352500000000, 0.0051823600000000 ] - [ -0.0112267100000000, 0.0083643700000000, 0.0049442500000000 ] - [ -0.0024982900000000, 0.0665722200000000, -0.0002231400000000 ] - [ -0.0034657000000000, -0.0491624900000000, 0.0084798000000000 ] - [ -0.0045074900000000, 0.0575740300000000, 0.0167605900000000 ] - [ -0.0062594200000000, 0.0019409000000000, 0.0001508500000000 ] - [ -0.0059681600000000, -0.0038223000000000, 0.0049053000000000 ] - [ -0.0056826800000000, 0.0018997000000000, 0.0097024300000000 ] - [ -0.0064400600000000, 0.0004489200000000, 0.0042582900000000 ] - [ -0.0063942800000000, -0.0010329000000000, 0.0057595700000000 ] - [ -0.0063504300000000, 0.0004465700000000, 0.0072763400000000 ] - [ -0.0075260500000000, 0.0004420500000000, 0.0037022300000000 ] - [ -0.0075225900000000, -0.0008811700000000, 0.0047745800000000 ] - [ -0.0075175000000000, 0.0004358500000000, 0.0058560300000000 ] - [ -0.0052041000000000, 0.0039913100000000, -0.0169227200000000 ] - [ -0.0067540300000000, -0.0086724400000000, 0.0036028200000000 ] - [ -0.0083072800000000, 0.0039498700000000, 0.0241785700000000 ] - [ -0.0069972200000000, 0.0004339200000000, 0.0055189400000000 ] - [ -0.0069553700000000, -0.0008675900000000, 0.0044834000000000 ] - [ -0.0069134900000000, 0.0004322000000000, 0.0034437000000000 ] - [ -0.0082607000000000, 0.0018996400000000, 0.0079430200000000 ] - [ -0.0087608800000000, -0.0037709700000000, 0.0025159000000000 ] - [ -0.0092626300000000, 0.0018770000000000, -0.0029532600000000 ] - [ -0.0068798800000000, 0.0004745000000000, 0.0068382400000000 ] - [ -0.0069988900000000, -0.0010738700000000, 0.0051593800000000 ] - [ -0.0071191000000000, 0.0004720400000000, 0.0034701100000000 ]- atom: 16 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ 0.0024011900000000, 0.0000000000000000, -0.0010514600000000 ] - [ -0.0001663800000000, -0.0003850000000000, 0.0004957900000000 ] - [ -0.0001663800000000, 0.0003850000000000, 0.0004957900000000 ] - [ -0.0033040700000000, 0.0000000000000000, -0.0014148500000000 ] - [ -0.0007228300000000, 0.0004240300000000, 0.0003592600000000 ] - [ -0.0007228300000000, -0.0004240300000000, 0.0003592600000000 ] - [ 0.0027824600000000, 0.0000000000000000, -0.0008051800000000 ] - [ 0.0002350100000000, 0.0002684300000000, 0.0005954900000000 ] - [ 0.0002350100000000, -0.0002684300000000, 0.0005954900000000 ] - [ 0.0052997800000000, 0.0000000000000000, -0.0028705300000000 ] - [ 0.0045209000000000, 0.0005630600000000, -0.0037172300000000 ] - [ 0.0045209000000000, -0.0005630600000000, -0.0037172300000000 ] - [ 0.0096813900000000, 0.0000000000000000, -0.0048815900000000 ] - [ 0.0093063000000000, -0.0000657000000000, -0.0040727000000000 ] - [ 0.0093063000000000, 0.0000657000000000, -0.0040727000000000 ] - [ 0.0007014300000000, 0.0000000000000000, -0.0511801700000000 ] - [ 0.0012264100000000, -0.0028024300000000, -0.0056536400000000 ] - [ 0.0012264100000000, 0.0028024300000000, -0.0056536400000000 ] - [ -0.0005798100000000, 0.0001351700000000, -0.0000936100000000 ] - [ -0.0006138300000000, 0.0000000000000000, -0.0006040400000000 ] - [ -0.0005798100000000, -0.0001351700000000, -0.0000936100000000 ] - [ 0.0008559400000000, 0.0003562900000000, 0.0007245900000000 ] - [ 0.0015821400000000, 0.0000000000000000, 0.0001734600000000 ] - [ 0.0008559400000000, -0.0003562900000000, 0.0007245900000000 ] - [ 0.0013816500000000, 0.0161424000000000, 0.0078020500000000 ] - [ -0.0004372500000000, 0.0000000000000000, -0.0043335100000000 ] - [ 0.0013816500000000, -0.0161424000000000, 0.0078020500000000 ] - [ 0.0030712200000000, 0.0004231400000000, 0.0008398100000000 ] - [ 0.0023271300000000, 0.0000000000000000, -0.0000312900000000 ] - [ 0.0030712200000000, -0.0004231400000000, 0.0008398100000000 ] - [ 0.0004724800000000, 0.0006847600000000, -0.0037205300000000 ] - [ 0.0002659400000000, 0.0000000000000000, -0.0029917300000000 ] - [ 0.0004724800000000, -0.0006847600000000, -0.0037205300000000 ] - [ 0.0021944700000000, 0.0000339900000000, 0.0005025800000000 ] - [ 0.0022086300000000, 0.0000000000000000, 0.0003727400000000 ] - [ 0.0021944700000000, -0.0000339900000000, 0.0005025800000000 ] - [ 0.0002794200000000, 0.0003228300000000, 0.0012380500000000 ] - [ 0.0003515000000000, 0.0000000000000000, 0.0001878800000000 ] - [ 0.0002794200000000, -0.0003228300000000, 0.0012380500000000 ] - [ -0.0005483800000000, -0.0000765200000000, -0.0007563300000000 ] - [ -0.0005514900000000, 0.0000000000000000, -0.0011464000000000 ] - [ -0.0005483800000000, 0.0000765200000000, -0.0007563300000000 ] - [ 0.0025957000000000, -0.0000353200000000, 0.0011274600000000 ] - [ 0.0025631200000000, 0.0000000000000000, 0.0010156700000000 ] - [ 0.0025957000000000, 0.0000353200000000, 0.0011274600000000 ] - [ -0.0004687600000000, 0.0000056400000000, 0.0007028400000000 ] - [ -0.0004676700000000, 0.0000000000000000, 0.0004056200000000 ] - [ -0.0004687600000000, -0.0000056400000000, 0.0007028400000000 ] - [ 0.0027508700000000, 0.0000402300000000, 0.0010294000000000 ] - [ 0.0027166200000000, 0.0000000000000000, 0.0009141000000000 ] - [ 0.0027508700000000, -0.0000402300000000, 0.0010294000000000 ] - [ 0.0001426700000000, 0.0000033000000000, 0.0000294000000000 ] - [ 0.0001423600000000, 0.0000000000000000, -0.0001872100000000 ] - [ 0.0001426700000000, -0.0000033000000000, 0.0000294000000000 ] - [ 0.0042697900000000, -0.0001628200000000, 0.0003361400000000 ] - [ 0.0033853500000000, 0.0000000000000000, -0.0002796000000000 ] - [ 0.0042697900000000, 0.0001628200000000, 0.0003361400000000 ] - [ -0.0002871300000000, -0.0002638000000000, 0.0012022200000000 ] - [ -0.0002996600000000, 0.0000000000000000, 0.0000237100000000 ] - [ -0.0002871300000000, 0.0002638000000000, 0.0012022200000000 ] - [ -0.0000688200000000, 0.0015817800000000, -0.0046235000000000 ] - [ 0.0016915900000000, 0.0000000000000000, -0.0008282200000000 ] - [ -0.0000688200000000, -0.0015817800000000, -0.0046235000000000 ] - [ 0.0009491400000000, -0.0121294800000000, 0.0087865700000000 ] - [ 0.0003283500000000, 0.0000000000000000, -0.0018744400000000 ] - [ 0.0009491400000000, 0.0121294800000000, 0.0087865700000000 ] - [ 0.0010833100000000, -0.0002823300000000, 0.0003946900000000 ] - [ 0.0019207500000000, 0.0000000000000000, -0.0001765800000000 ] - [ 0.0010833100000000, 0.0002823300000000, 0.0003946900000000 ] - [ -0.0000052500000000, -0.0002661900000000, -0.0040769600000000 ] - [ -0.0000548200000000, 0.0000000000000000, -0.0033542500000000 ] - [ -0.0000052500000000, 0.0002661900000000, -0.0040769600000000 ] - [ 0.0023688600000000, -0.0000277700000000, 0.0007851200000000 ] - [ 0.0023955300000000, 0.0000000000000000, 0.0006628000000000 ] - [ 0.0023688600000000, 0.0000277700000000, 0.0007851200000000 ] - [ -0.0008102400000000, -0.0020043400000000, -0.0046467600000000 ] - [ 0.0019491800000000, 0.0000000000000000, -0.0004075000000000 ] - [ -0.0008102400000000, 0.0020043400000000, -0.0046467600000000 ] - [ 0.0055432200000000, 0.0000000000000000, -0.0029064800000000 ] - [ 0.0055386300000000, 0.0001094100000000, -0.0029746000000000 ] - [ 0.0055386300000000, -0.0001094100000000, -0.0029746000000000 ] - [ 0.0046439300000000, 0.0000000000000000, -0.0028512200000000 ] - [ 0.0046460600000000, -0.0000720500000000, -0.0029137600000000 ] - [ 0.0046460600000000, 0.0000720500000000, -0.0029137600000000 ] - [ 0.0046981800000000, 0.0000000000000000, -0.0007666100000000 ] - [ 0.0048045900000000, 0.0024634500000000, -0.0013531100000000 ] - [ 0.0048045900000000, -0.0024634500000000, -0.0013531100000000 ] - [ 0.0068664800000000, 0.0000000000000000, -0.0004872000000000 ] - [ 0.0068883400000000, -0.0004172500000000, -0.0006444700000000 ] - [ 0.0068883400000000, 0.0004172500000000, -0.0006444700000000 ] - [ 0.0047171900000000, 0.0000000000000000, -0.0036355100000000 ] - [ 0.0047125300000000, 0.0001319800000000, -0.0036966000000000 ] - [ 0.0047125300000000, -0.0001319800000000, -0.0036966000000000 ] - [ 0.0052172300000000, 0.0000000000000000, -0.0033023500000000 ] - [ 0.0052206600000000, -0.0001126200000000, -0.0033626500000000 ] - [ 0.0052206600000000, 0.0001126200000000, -0.0033626500000000 ] - [ 0.0068498900000000, 0.0000000000000000, 0.0059782700000000 ] - [ 0.0067813100000000, -0.0021910200000000, 0.0055606300000000 ] - [ 0.0067813100000000, 0.0021910200000000, 0.0055606300000000 ] - [ -0.0052658800000000, 0.0000000000000000, -0.0001039800000000 ] - [ -0.0005551700000000, -0.0010091000000000, 0.0014562800000000 ] - [ -0.0005551700000000, 0.0010091000000000, 0.0014562800000000 ] - [ -0.0000023600000000, 0.0000000000000000, -0.0008207200000000 ] - [ -0.0000306500000000, -0.0001899800000000, -0.0004779800000000 ] - [ -0.0000306500000000, 0.0001899800000000, -0.0004779800000000 ] - [ -0.0003905500000000, 0.0000000000000000, -0.0009271500000000 ] - [ -0.0003885400000000, -0.0000062600000000, -0.0008654000000000 ] - [ -0.0003885400000000, 0.0000062600000000, -0.0008654000000000 ] - [ -0.0003316300000000, 0.0000000000000000, -0.0009895400000000 ] - [ -0.0002962700000000, -0.0002498200000000, -0.0006090700000000 ] - [ -0.0002962700000000, 0.0002498200000000, -0.0006090700000000 ] - [ -0.0005926000000000, 0.0000000000000000, -0.0007424900000000 ] - [ -0.0005939400000000, -0.0000031600000000, -0.0006786800000000 ] - [ -0.0005939400000000, 0.0000031600000000, -0.0006786800000000 ] - [ -0.0002480400000000, 0.0000000000000000, -0.0009276500000000 ] - [ -0.0001463700000000, 0.0001849200000000, -0.0006740000000000 ] - [ -0.0001463700000000, -0.0001849200000000, -0.0006740000000000 ] - [ -0.0002376200000000, 0.0000000000000000, -0.0010571700000000 ] - [ -0.0003407600000000, 0.0001926700000000, -0.0008185800000000 ] - [ -0.0003407600000000, -0.0001926700000000, -0.0008185800000000 ] - [ -0.0082012900000000, 0.0015170700000000, -0.0121708900000000 ] - [ -0.0094422000000000, 0.0000000000000000, -0.0034442100000000 ] - [ -0.0082012900000000, -0.0015170700000000, -0.0121708900000000 ] - [ -0.0093095600000000, -0.0002218700000000, 0.0096404500000000 ] - [ -0.0113644200000000, 0.0000000000000000, 0.0077191600000000 ] - [ -0.0093095600000000, 0.0002218700000000, 0.0096404500000000 ] - [ -0.0025146200000000, -0.0037048400000000, 0.0271077100000000 ] - [ -0.0030110400000000, 0.0000000000000000, 0.0122767800000000 ] - [ -0.0025146200000000, 0.0037048400000000, 0.0271077100000000 ] - [ -0.0058606500000000, -0.0010200200000000, 0.0051289600000000 ] - [ -0.0058769900000000, 0.0000000000000000, 0.0054011300000000 ] - [ -0.0058606500000000, 0.0010200200000000, 0.0051289600000000 ] - [ -0.0064627900000000, -0.0001086000000000, 0.0032285700000000 ] - [ -0.0064471900000000, 0.0000000000000000, 0.0038001400000000 ] - [ -0.0064627900000000, 0.0001086000000000, 0.0032285700000000 ] - [ -0.0075639600000000, -0.0000994200000000, 0.0029173300000000 ] - [ -0.0075578400000000, 0.0000000000000000, 0.0033678800000000 ] - [ -0.0075639600000000, 0.0000994200000000, 0.0029173300000000 ] - [ -0.0060074700000000, -0.0016229500000000, -0.0041700000000000 ] - [ -0.0068227900000000, 0.0000000000000000, 0.0041281300000000 ] - [ -0.0060074700000000, 0.0016229500000000, -0.0041700000000000 ] - [ -0.0069613400000000, 0.0000723400000000, 0.0026286900000000 ] - [ -0.0069707200000000, 0.0000000000000000, 0.0029809400000000 ] - [ -0.0069613400000000, -0.0000723400000000, 0.0026286900000000 ] - [ -0.0088483700000000, 0.0004855300000000, 0.0025437300000000 ] - [ -0.0087656200000000, 0.0000000000000000, 0.0027069000000000 ] - [ -0.0088483700000000, -0.0004855300000000, 0.0025437300000000 ] - [ -0.0071061700000000, 0.0000851600000000, 0.0026440300000000 ] - [ -0.0070758200000000, 0.0000000000000000, 0.0031918900000000 ] - [ -0.0071061700000000, -0.0000851600000000, 0.0026440300000000 ]- atom: 16 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0034865900000000, 0.0000000000000000, 0.0009608800000000 ] - [ -0.0009054700000000, 0.0003812200000000, -0.0006137500000000 ] - [ -0.0009054700000000, -0.0003812200000000, -0.0006137500000000 ] - [ 0.0030513500000000, 0.0000000000000000, 0.0015239200000000 ] - [ 0.0004574200000000, -0.0004282400000000, -0.0002533600000000 ] - [ 0.0004574200000000, 0.0004282400000000, -0.0002533600000000 ] - [ -0.0031116000000000, 0.0000000000000000, 0.0014190700000000 ] - [ -0.0005446600000000, -0.0002703400000000, 0.0000123700000000 ] - [ -0.0005446600000000, 0.0002703400000000, 0.0000123700000000 ] - [ 0.0036862000000000, 0.0000000000000000, -0.0045200400000000 ] - [ 0.0044534100000000, -0.0005532100000000, -0.0036880900000000 ] - [ 0.0044534100000000, 0.0005532100000000, -0.0036880900000000 ] - [ 0.0095951700000000, 0.0000000000000000, -0.0020139100000000 ] - [ 0.0099637600000000, 0.0000624900000000, -0.0028200400000000 ] - [ 0.0099637600000000, -0.0000624900000000, -0.0028200400000000 ] - [ 0.0019843700000000, 0.0000000000000000, 0.0364906500000000 ] - [ 0.0015348100000000, 0.0025687100000000, -0.0088100500000000 ] - [ 0.0015348100000000, -0.0025687100000000, -0.0088100500000000 ] - [ -0.0007132200000000, -0.0001334200000000, -0.0025107100000000 ] - [ -0.0006793500000000, 0.0000000000000000, -0.0020076300000000 ] - [ -0.0007132200000000, 0.0001334200000000, -0.0025107100000000 ] - [ 0.0030773000000000, -0.0003517300000000, -0.0002127300000000 ] - [ 0.0023522200000000, 0.0000000000000000, 0.0003321400000000 ] - [ 0.0030773000000000, 0.0003517300000000, -0.0002127300000000 ] - [ -0.0019959800000000, -0.0158876400000000, -0.0116497800000000 ] - [ -0.0002047000000000, 0.0000000000000000, 0.0003104700000000 ] - [ -0.0019959800000000, 0.0158876400000000, -0.0116497800000000 ] - [ 0.0008304800000000, -0.0004181000000000, -0.0007288100000000 ] - [ 0.0015704300000000, 0.0000000000000000, 0.0001325300000000 ] - [ 0.0008304800000000, 0.0004181000000000, -0.0007288100000000 ] - [ -0.0005656100000000, -0.0006753500000000, 0.0010359600000000 ] - [ -0.0003638400000000, 0.0000000000000000, 0.0003120600000000 ] - [ -0.0005656100000000, 0.0006753500000000, 0.0010359600000000 ] - [ 0.0023621300000000, -0.0000336700000000, -0.0006862800000000 ] - [ 0.0023499700000000, 0.0000000000000000, -0.0005575400000000 ] - [ 0.0023621300000000, 0.0000336700000000, -0.0006862800000000 ] - [ 0.0004073400000000, -0.0003160800000000, -0.0036934600000000 ] - [ 0.0003362600000000, 0.0000000000000000, -0.0026583800000000 ] - [ 0.0004073400000000, 0.0003160800000000, -0.0036934600000000 ] - [ -0.0004613100000000, 0.0000778500000000, -0.0031305700000000 ] - [ -0.0004581100000000, 0.0000000000000000, -0.0027361900000000 ] - [ -0.0004613100000000, -0.0000778500000000, -0.0031305700000000 ] - [ 0.0023667700000000, 0.0000357800000000, -0.0000487400000000 ] - [ 0.0024002400000000, 0.0000000000000000, 0.0000641000000000 ] - [ 0.0023667700000000, -0.0000357800000000, -0.0000487400000000 ] - [ -0.0004870700000000, -0.0000048500000000, -0.0030146100000000 ] - [ -0.0004873300000000, 0.0000000000000000, -0.0027192500000000 ] - [ -0.0004870700000000, 0.0000048500000000, -0.0030146100000000 ] - [ 0.0024629000000000, -0.0000396600000000, -0.0001449600000000 ] - [ 0.0024941600000000, 0.0000000000000000, -0.0000309600000000 ] - [ 0.0024629000000000, 0.0000396600000000, -0.0001449600000000 ] - [ 0.0001215600000000, -0.0000028500000000, -0.0030479700000000 ] - [ 0.0001216800000000, 0.0000000000000000, -0.0028304600000000 ] - [ 0.0001215600000000, 0.0000028500000000, -0.0030479700000000 ] - [ 0.0015921200000000, 0.0001638900000000, -0.0010361400000000 ] - [ 0.0024847500000000, 0.0000000000000000, -0.0004139100000000 ] - [ 0.0015921200000000, -0.0001638900000000, -0.0010361400000000 ] - [ -0.0002761800000000, 0.0002694100000000, -0.0040421400000000 ] - [ -0.0002633500000000, 0.0000000000000000, -0.0028481200000000 ] - [ -0.0002761800000000, -0.0002694100000000, -0.0040421400000000 ] - [ 0.0029814200000000, -0.0016114700000000, 0.0042412400000000 ] - [ 0.0011693800000000, 0.0000000000000000, 0.0004614800000000 ] - [ 0.0029814200000000, 0.0016114700000000, 0.0042412400000000 ] - [ -0.0001302900000000, 0.0123344100000000, -0.0097996800000000 ] - [ 0.0005093900000000, 0.0000000000000000, 0.0010199400000000 ] - [ -0.0001302900000000, -0.0123344100000000, -0.0097996800000000 ] - [ 0.0036240900000000, 0.0002859200000000, -0.0007248700000000 ] - [ 0.0027787900000000, 0.0000000000000000, -0.0001474700000000 ] - [ 0.0036240900000000, -0.0002859200000000, -0.0007248700000000 ] - [ -0.0002478500000000, 0.0002700300000000, -0.0000241600000000 ] - [ -0.0001962000000000, 0.0000000000000000, -0.0007464800000000 ] - [ -0.0002478500000000, -0.0002700300000000, -0.0000241600000000 ] - [ 0.0024947300000000, 0.0000281700000000, -0.0004136100000000 ] - [ 0.0024666300000000, 0.0000000000000000, -0.0002899600000000 ] - [ 0.0024947300000000, -0.0000281700000000, -0.0004136100000000 ] - [ 0.0055563700000000, 0.0019719800000000, 0.0051929800000000 ] - [ 0.0028487700000000, 0.0000000000000000, 0.0009300100000000 ] - [ 0.0055563700000000, -0.0019719800000000, 0.0051929800000000 ] - [ 0.0055116300000000, 0.0000000000000000, -0.0040287300000000 ] - [ 0.0055158100000000, -0.0001079100000000, -0.0039607500000000 ] - [ 0.0055158100000000, 0.0001079100000000, -0.0039607500000000 ] - [ 0.0046561500000000, 0.0000000000000000, -0.0039620300000000 ] - [ 0.0046542800000000, 0.0000735000000000, -0.0038989100000000 ] - [ 0.0046542800000000, -0.0000735000000000, -0.0038989100000000 ] - [ 0.0051934400000000, 0.0000000000000000, -0.0043836600000000 ] - [ 0.0050880800000000, -0.0024278500000000, -0.0038015200000000 ] - [ 0.0050880800000000, 0.0024278500000000, -0.0038015200000000 ] - [ 0.0069803800000000, 0.0000000000000000, -0.0008548200000000 ] - [ 0.0069581000000000, 0.0004224700000000, -0.0006956200000000 ] - [ 0.0069581000000000, -0.0004224700000000, -0.0006956200000000 ] - [ 0.0047220200000000, 0.0000000000000000, -0.0050309300000000 ] - [ 0.0047272100000000, -0.0001294800000000, -0.0049708400000000 ] - [ 0.0047272100000000, 0.0001294800000000, -0.0049708400000000 ] - [ 0.0051872500000000, 0.0000000000000000, -0.0046980400000000 ] - [ 0.0051836300000000, 0.0001151900000000, -0.0046374600000000 ] - [ 0.0051836300000000, -0.0001151900000000, -0.0046374600000000 ] - [ 0.0069023500000000, 0.0000000000000000, 0.0027592600000000 ] - [ 0.0069742300000000, 0.0022206100000000, 0.0031681600000000 ] - [ 0.0069742300000000, -0.0022206100000000, 0.0031681600000000 ] - [ 0.0061878000000000, 0.0000000000000000, 0.0004180200000000 ] - [ 0.0014215500000000, 0.0009970900000000, -0.0012122700000000 ] - [ 0.0014215500000000, -0.0009970900000000, -0.0012122700000000 ] - [ -0.0006019700000000, 0.0000000000000000, 0.0009959600000000 ] - [ -0.0005710700000000, 0.0001885100000000, 0.0006563300000000 ] - [ -0.0005710700000000, -0.0001885100000000, 0.0006563300000000 ] - [ -0.0003992800000000, 0.0000000000000000, 0.0005878600000000 ] - [ -0.0004019600000000, 0.0000049600000000, 0.0005256900000000 ] - [ -0.0004019600000000, -0.0000049600000000, 0.0005256900000000 ] - [ 0.0002596000000000, 0.0000000000000000, 0.0010823200000000 ] - [ 0.0002223800000000, 0.0002460800000000, 0.0007065600000000 ] - [ 0.0002223800000000, -0.0002460800000000, 0.0007065600000000 ] - [ -0.0005705500000000, 0.0000000000000000, 0.0008206100000000 ] - [ -0.0005688200000000, 0.0000025100000000, 0.0007566700000000 ] - [ -0.0005688200000000, -0.0000025100000000, 0.0007566700000000 ] - [ 0.0004305700000000, 0.0000000000000000, 0.0009853800000000 ] - [ 0.0003294100000000, -0.0001872700000000, 0.0007297600000000 ] - [ 0.0003294100000000, 0.0001872700000000, 0.0007297600000000 ] - [ -0.0009795100000000, 0.0000000000000000, 0.0007321400000000 ] - [ -0.0008763300000000, -0.0001955300000000, 0.0004925400000000 ] - [ -0.0008763300000000, 0.0001955300000000, 0.0004925400000000 ] - [ -0.0106818300000000, -0.0015402200000000, 0.0056046400000000 ] - [ -0.0094274900000000, 0.0000000000000000, -0.0032198900000000 ] - [ -0.0106818300000000, 0.0015402200000000, 0.0056046400000000 ] - [ -0.0130569600000000, 0.0002037500000000, 0.0007370300000000 ] - [ -0.0109990900000000, 0.0000000000000000, 0.0026525500000000 ] - [ -0.0130569600000000, -0.0002037500000000, 0.0007370300000000 ] - [ -0.0044199600000000, 0.0029251700000000, -0.0100199500000000 ] - [ -0.0039163800000000, 0.0000000000000000, 0.0047189700000000 ] - [ -0.0044199600000000, -0.0029251700000000, -0.0100199500000000 ] - [ -0.0060776100000000, 0.0010031400000000, 0.0047161300000000 ] - [ -0.0060540000000000, 0.0000000000000000, 0.0044534800000000 ] - [ -0.0060776100000000, -0.0010031400000000, 0.0047161300000000 ] - [ -0.0063284900000000, 0.0001053700000000, 0.0082951900000000 ] - [ -0.0063411000000000, 0.0000000000000000, 0.0077246900000000 ] - [ -0.0063284900000000, -0.0001053700000000, 0.0082951900000000 ] - [ -0.0074797200000000, 0.0000998200000000, 0.0066279800000000 ] - [ -0.0074873600000000, 0.0000000000000000, 0.0061852000000000 ] - [ -0.0074797200000000, -0.0000998200000000, 0.0066279800000000 ] - [ -0.0074968200000000, 0.0015928500000000, 0.0113887600000000 ] - [ -0.0066950000000000, 0.0000000000000000, 0.0031931700000000 ] - [ -0.0074968200000000, -0.0015928500000000, 0.0113887600000000 ] - [ -0.0069489300000000, -0.0000747300000000, 0.0063302900000000 ] - [ -0.0069398100000000, 0.0000000000000000, 0.0059727400000000 ] - [ -0.0069489300000000, 0.0000747300000000, 0.0063302900000000 ] - [ -0.0086750300000000, -0.0004913500000000, 0.0024451000000000 ] - [ -0.0087581800000000, 0.0000000000000000, 0.0022772100000000 ] - [ -0.0086750300000000, 0.0004913500000000, 0.0024451000000000 ] - [ -0.0068935700000000, -0.0000864700000000, 0.0076628800000000 ] - [ -0.0069232500000000, 0.0000000000000000, 0.0071127500000000 ] - [ -0.0068935700000000, 0.0000864700000000, 0.0076628800000000 ]- atom: 19 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0006105100000000, 0.0003932800000000, 0.0002209600000000 ] - [ -0.0006105100000000, -0.0003932800000000, 0.0002209600000000 ] - [ -0.0005546000000000, 0.0000000000000000, -0.0000484700000000 ] - [ -0.0001601800000000, 0.0000155100000000, 0.0000570700000000 ] - [ -0.0001601800000000, -0.0000155100000000, 0.0000570700000000 ] - [ -0.0001418600000000, 0.0000000000000000, 0.0000518200000000 ] - [ -0.0001295700000000, 0.0000126800000000, 0.0003030800000000 ] - [ -0.0001295700000000, -0.0000126800000000, 0.0003030800000000 ] - [ -0.0001467400000000, 0.0000000000000000, 0.0002994500000000 ] - [ 0.0007487600000000, -0.0000221100000000, -0.0030815900000000 ] - [ 0.0007487600000000, 0.0000221100000000, -0.0030815900000000 ] - [ 0.0043214200000000, 0.0000000000000000, -0.0036622300000000 ] - [ 0.0095927300000000, -0.0002260700000000, -0.0034911000000000 ] - [ 0.0095927300000000, 0.0002260700000000, -0.0034911000000000 ] - [ 0.0096103900000000, 0.0000000000000000, -0.0034294700000000 ] - [ 0.0014090400000000, 0.0000672300000000, -0.0071507500000000 ] - [ 0.0014090400000000, -0.0000672300000000, -0.0071507500000000 ] - [ 0.0013945800000000, 0.0000000000000000, -0.0071838100000000 ] - [ -0.0560385600000000, 0.0000000000000000, -0.0032508300000000 ] - [ -0.0015302800000000, 0.0000217300000000, -0.0012296300000000 ] - [ -0.0015302800000000, -0.0000217300000000, -0.0012296300000000 ] - [ 0.0115141700000000, 0.0000000000000000, -0.0132335500000000 ] - [ 0.0019304800000000, 0.0003164600000000, -0.0001186300000000 ] - [ 0.0019304800000000, -0.0003164600000000, -0.0001186300000000 ] - [ 0.0016397300000000, 0.0000000000000000, -0.0004439200000000 ] - [ -0.0002282000000000, -0.0000260100000000, -0.0018436200000000 ] - [ -0.0002282000000000, 0.0000260100000000, -0.0018436200000000 ] - [ 0.0177021300000000, 0.0000000000000000, 0.0147007100000000 ] - [ 0.0020445400000000, -0.0005268600000000, 0.0006271300000000 ] - [ 0.0020445400000000, 0.0005268600000000, 0.0006271300000000 ] - [ 0.0001934200000000, 0.0000000000000000, -0.0040641800000000 ] - [ -0.0001260300000000, 0.0000053600000000, -0.0012989600000000 ] - [ -0.0001260300000000, -0.0000053600000000, -0.0012989600000000 ] - [ 0.0135684100000000, 0.0000000000000000, 0.0157685800000000 ] - [ 0.0021954800000000, 0.0002905300000000, 0.0001862200000000 ] - [ 0.0021954800000000, -0.0002905300000000, 0.0001862200000000 ] - [ 0.0041863000000000, 0.0000000000000000, -0.0013255300000000 ] - [ 0.0019101000000000, 0.0004394100000000, -0.0011700300000000 ] - [ 0.0019101000000000, -0.0004394100000000, -0.0011700300000000 ] - [ -0.0005181700000000, 0.0000000000000000, -0.0017664600000000 ] - [ -0.0005139000000000, 0.0000205400000000, -0.0019640000000000 ] - [ -0.0005139000000000, -0.0000205400000000, -0.0019640000000000 ] - [ 0.0026841600000000, 0.0000000000000000, 0.0005514700000000 ] - [ 0.0024792200000000, 0.0000537900000000, 0.0005786300000000 ] - [ 0.0024792200000000, -0.0000537900000000, 0.0005786300000000 ] - [ 0.0019627500000000, 0.0000000000000000, -0.0013603300000000 ] - [ -0.0003521100000000, 0.0000095800000000, -0.0012197200000000 ] - [ -0.0003521100000000, -0.0000095800000000, -0.0012197200000000 ] - [ 0.0161841900000000, 0.0000000000000000, -0.0121569500000000 ] - [ 0.0026946300000000, -0.0003602000000000, 0.0000672300000000 ] - [ 0.0026946300000000, 0.0003602000000000, 0.0000672300000000 ] - [ 0.0009956600000000, 0.0000000000000000, -0.0003743200000000 ] - [ 0.0000618700000000, -0.0000434300000000, -0.0016416200000000 ] - [ 0.0000618700000000, 0.0000434300000000, -0.0016416200000000 ] - [ 0.0030219200000000, 0.0000000000000000, -0.0003573100000000 ] - [ 0.0029559000000000, 0.0000062700000000, -0.0003451300000000 ] - [ 0.0029559000000000, -0.0000062700000000, -0.0003451300000000 ] - [ -0.0002514500000000, 0.0000000000000000, -0.0014263500000000 ] - [ -0.0002741200000000, 0.0000050300000000, -0.0014228600000000 ] - [ -0.0002741200000000, -0.0000050300000000, -0.0014228600000000 ] - [ 0.0018148300000000, 0.0000000000000000, -0.0001069600000000 ] - [ 0.0014726100000000, 0.0000195300000000, -0.0001767200000000 ] - [ 0.0014726100000000, -0.0000195300000000, -0.0001767200000000 ] - [ 0.0004710400000000, 0.0000000000000000, -0.0002584400000000 ] - [ 0.0004296500000000, -0.0000035400000000, -0.0003830800000000 ] - [ 0.0004296500000000, 0.0000035400000000, -0.0003830800000000 ] - [ 0.0022635400000000, 0.0000000000000000, -0.0001640000000000 ] - [ 0.0023304100000000, 0.0000058700000000, -0.0001611000000000 ] - [ 0.0023304100000000, -0.0000058700000000, -0.0001611000000000 ] - [ -0.0001377300000000, 0.0000000000000000, -0.0025163200000000 ] - [ -0.0001276700000000, 0.0000263900000000, -0.0020466900000000 ] - [ -0.0001276700000000, -0.0000263900000000, -0.0020466900000000 ] - [ 0.0025098600000000, 0.0000000000000000, 0.0001071800000000 ] - [ 0.0024353900000000, -0.0000317400000000, 0.0001187300000000 ] - [ 0.0024353900000000, 0.0000317400000000, 0.0001187300000000 ] - [ 0.0021155300000000, 0.0000000000000000, 0.0003210700000000 ] - [ 0.0023614300000000, -0.0000030800000000, 0.0003031600000000 ] - [ 0.0023614300000000, 0.0000030800000000, 0.0003031600000000 ] - [ 0.0017132900000000, 0.0003494200000000, -0.0041544600000000 ] - [ 0.0017132900000000, -0.0003494200000000, -0.0041544600000000 ] - [ 0.0054103200000000, 0.0000000000000000, -0.0035157300000000 ] - [ 0.0045722200000000, -0.0001385200000000, -0.0033982600000000 ] - [ 0.0045722200000000, 0.0001385200000000, -0.0033982600000000 ] - [ 0.0046252800000000, 0.0000000000000000, -0.0034366100000000 ] - [ 0.0066533400000000, 0.0005577600000000, -0.0026601500000000 ] - [ 0.0066533400000000, -0.0005577600000000, -0.0026601500000000 ] - [ 0.0050817600000000, 0.0000000000000000, -0.0026322500000000 ] - [ 0.0069190700000000, -0.0000695300000000, -0.0006801600000000 ] - [ 0.0069190700000000, 0.0000695300000000, -0.0006801600000000 ] - [ 0.0069191400000000, 0.0000000000000000, -0.0006747200000000 ] - [ 0.0063610400000000, 0.0003670500000000, -0.0043092200000000 ] - [ 0.0063610400000000, -0.0003670500000000, -0.0043092200000000 ] - [ 0.0048131800000000, 0.0000000000000000, -0.0043002700000000 ] - [ 0.0052568800000000, -0.0000033700000000, -0.0040096400000000 ] - [ 0.0052568800000000, 0.0000033700000000, -0.0040096400000000 ] - [ 0.0052235900000000, 0.0000000000000000, -0.0040105900000000 ] - [ 0.0068783800000000, -0.0000096000000000, 0.0043779300000000 ] - [ 0.0068783800000000, 0.0000096000000000, 0.0043779300000000 ] - [ 0.0068784100000000, 0.0000000000000000, 0.0043747200000000 ] - [ 0.0008022100000000, -0.0005750800000000, -0.0005970600000000 ] - [ 0.0008022100000000, 0.0005750800000000, -0.0005970600000000 ] - [ 0.0004765900000000, 0.0000000000000000, -0.0000066500000000 ] - [ -0.0014791000000000, 0.0041216700000000, 0.0003018200000000 ] - [ -0.0014791000000000, -0.0041216700000000, 0.0003018200000000 ] - [ -0.0002861100000000, 0.0000000000000000, 0.0000990600000000 ] - [ -0.0004410100000000, 0.0009343600000000, -0.0008975900000000 ] - [ -0.0004410100000000, -0.0009343600000000, -0.0008975900000000 ] - [ -0.0004036300000000, 0.0000000000000000, -0.0002050700000000 ] - [ -0.0005897800000000, -0.0043728000000000, -0.0005081900000000 ] - [ -0.0005897800000000, 0.0043728000000000, -0.0005081900000000 ] - [ -0.0000613500000000, 0.0000000000000000, 0.0001047400000000 ] - [ -0.0003889800000000, -0.0006692300000000, 0.0008232000000000 ] - [ -0.0003889800000000, 0.0006692300000000, 0.0008232000000000 ] - [ -0.0005784300000000, 0.0000000000000000, 0.0001265100000000 ] - [ 0.0000632100000000, 0.0000227600000000, 0.0000167200000000 ] - [ 0.0000632100000000, -0.0000227600000000, 0.0000167200000000 ] - [ 0.0000825200000000, 0.0000000000000000, 0.0000269500000000 ] - [ -0.0005705500000000, 0.0000239800000000, -0.0001485000000000 ] - [ -0.0005705500000000, -0.0000239800000000, -0.0001485000000000 ] - [ -0.0005963900000000, 0.0000000000000000, -0.0001449300000000 ] - [ -0.0094055400000000, 0.0000000000000000, -0.0033824500000000 ] - [ -0.0094373200000000, -0.0000110100000000, -0.0033495100000000 ] - [ -0.0094373200000000, 0.0000110100000000, -0.0033495100000000 ] - [ -0.0110568600000000, 0.0000000000000000, 0.0059053500000000 ] - [ -0.0111331400000000, -0.0001579500000000, 0.0051250800000000 ] - [ -0.0111331400000000, 0.0001579500000000, 0.0051250800000000 ] - [ -0.0037479400000000, 0.0000000000000000, 0.0075918700000000 ] - [ -0.0035362400000000, 0.0000337300000000, 0.0083453400000000 ] - [ -0.0035362400000000, -0.0000337300000000, 0.0083453400000000 ] - [ 0.0114709800000000, 0.0000000000000000, 0.0046774300000000 ] - [ -0.0052908900000000, -0.0001704000000000, 0.0049288600000000 ] - [ -0.0052908900000000, 0.0001704000000000, 0.0049288600000000 ] - [ -0.0216739600000000, 0.0000000000000000, 0.0057258400000000 ] - [ -0.0070678200000000, 0.0002048800000000, 0.0056176100000000 ] - [ -0.0070678200000000, -0.0002048800000000, 0.0056176100000000 ] - [ 0.0103029400000000, 0.0000000000000000, 0.0056173100000000 ] - [ -0.0068567500000000, 0.0001313500000000, 0.0047727000000000 ] - [ -0.0068567500000000, -0.0001313500000000, 0.0047727000000000 ] - [ -0.0214024400000000, 0.0000000000000000, 0.0026402800000000 ] - [ -0.0075831800000000, 0.0002294100000000, 0.0037574700000000 ] - [ -0.0075831800000000, -0.0002294100000000, 0.0037574700000000 ] - [ -0.0067536900000000, 0.0000000000000000, 0.0041575700000000 ] - [ -0.0068742800000000, -0.0000926100000000, 0.0045840800000000 ] - [ -0.0068742800000000, 0.0000926100000000, 0.0045840800000000 ] - [ -0.0087498800000000, 0.0000000000000000, 0.0025670900000000 ] - [ -0.0087606000000000, -0.0000491200000000, 0.0025050100000000 ] - [ -0.0087606000000000, 0.0000491200000000, 0.0025050100000000 ] - [ -0.0071935200000000, 0.0000000000000000, 0.0053202600000000 ] - [ -0.0070796200000000, -0.0000164100000000, 0.0051916700000000 ] - [ -0.0070796200000000, 0.0000164100000000, 0.0051916700000000 ]- atom: 19 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0004534400000000, -0.0003903300000000, -0.0003491700000000 ] - [ -0.0004534400000000, 0.0003903300000000, -0.0003491700000000 ] - [ -0.0005144400000000, 0.0000000000000000, -0.0000796300000000 ] - [ -0.0001039500000000, -0.0000156400000000, 0.0000611000000000 ] - [ -0.0001039500000000, 0.0000156400000000, 0.0000611000000000 ] - [ -0.0001228400000000, 0.0000000000000000, 0.0000646500000000 ] - [ -0.0001827600000000, -0.0000129100000000, 0.0003184400000000 ] - [ -0.0001827600000000, 0.0000129100000000, 0.0003184400000000 ] - [ -0.0001650300000000, 0.0000000000000000, 0.0003214700000000 ] - [ 0.0082350800000000, 0.0001108300000000, -0.0042592700000000 ] - [ 0.0082350800000000, -0.0001108300000000, -0.0042592700000000 ] - [ 0.0046558400000000, 0.0000000000000000, -0.0037355900000000 ] - [ 0.0096799400000000, 0.0002320500000000, -0.0033949500000000 ] - [ 0.0096799400000000, -0.0002320500000000, -0.0033949500000000 ] - [ 0.0096628300000000, 0.0000000000000000, -0.0034589200000000 ] - [ 0.0013491600000000, -0.0000715000000000, -0.0072839800000000 ] - [ 0.0013491600000000, 0.0000715000000000, -0.0072839800000000 ] - [ 0.0013631900000000, 0.0000000000000000, -0.0072490400000000 ] - [ 0.0548363000000000, 0.0000000000000000, 0.0009209300000000 ] - [ 0.0002369500000000, -0.0000239300000000, -0.0013594300000000 ] - [ 0.0002369500000000, 0.0000239300000000, -0.0013594300000000 ] - [ -0.0075148100000000, 0.0000000000000000, 0.0135283400000000 ] - [ 0.0019922100000000, -0.0003116000000000, 0.0006263200000000 ] - [ 0.0019922100000000, 0.0003116000000000, 0.0006263200000000 ] - [ -0.0022728000000000, 0.0000000000000000, -0.0035757300000000 ] - [ -0.0004094200000000, 0.0000278900000000, -0.0021251300000000 ] - [ -0.0004094200000000, -0.0000278900000000, -0.0021251300000000 ] - [ -0.0139487900000000, 0.0000000000000000, -0.0148374000000000 ] - [ 0.0018613400000000, 0.0005347300000000, -0.0005260200000000 ] - [ 0.0018613400000000, -0.0005347300000000, -0.0005260200000000 ] - [ -0.0002585000000000, 0.0000000000000000, 0.0015142100000000 ] - [ 0.0000294700000000, -0.0000118100000000, -0.0013507100000000 ] - [ 0.0000294700000000, 0.0000118100000000, -0.0013507100000000 ] - [ -0.0089771200000000, 0.0000000000000000, -0.0157430500000000 ] - [ 0.0023463500000000, -0.0002899200000000, -0.0003623900000000 ] - [ 0.0023463500000000, 0.0002899200000000, -0.0003623900000000 ] - [ -0.0034931000000000, 0.0000000000000000, -0.0011200800000000 ] - [ -0.0012179000000000, -0.0004174000000000, -0.0012857900000000 ] - [ -0.0012179000000000, 0.0004174000000000, -0.0012857900000000 ] - [ -0.0004864900000000, 0.0000000000000000, -0.0021439300000000 ] - [ -0.0004962800000000, -0.0000218000000000, -0.0019320700000000 ] - [ -0.0004962800000000, 0.0000218000000000, -0.0019320700000000 ] - [ 0.0022622700000000, 0.0000000000000000, 0.0005243300000000 ] - [ 0.0024804100000000, -0.0000546000000000, 0.0005002100000000 ] - [ 0.0024804100000000, 0.0000546000000000, 0.0005002100000000 ] - [ -0.0029169700000000, 0.0000000000000000, -0.0009030400000000 ] - [ -0.0006046700000000, -0.0000094700000000, -0.0010815200000000 ] - [ -0.0006046700000000, 0.0000094700000000, -0.0010815200000000 ] - [ -0.0110281400000000, 0.0000000000000000, 0.0132162400000000 ] - [ 0.0025302200000000, 0.0003623000000000, 0.0008272000000000 ] - [ 0.0025302200000000, -0.0003623000000000, 0.0008272000000000 ] - [ -0.0007189500000000, 0.0000000000000000, -0.0027923100000000 ] - [ 0.0002018900000000, 0.0000321900000000, -0.0013866200000000 ] - [ 0.0002018900000000, -0.0000321900000000, -0.0013866200000000 ] - [ 0.0028467700000000, 0.0000000000000000, -0.0003454000000000 ] - [ 0.0029129700000000, -0.0000065800000000, -0.0003568400000000 ] - [ 0.0029129700000000, 0.0000065800000000, -0.0003568400000000 ] - [ -0.0003113700000000, 0.0000000000000000, -0.0014057900000000 ] - [ -0.0002895900000000, -0.0000049800000000, -0.0014084400000000 ] - [ -0.0002895900000000, 0.0000049800000000, -0.0014084400000000 ] - [ 0.0009981500000000, 0.0000000000000000, -0.0002619600000000 ] - [ 0.0013538500000000, -0.0000194900000000, -0.0001897400000000 ] - [ 0.0013538500000000, 0.0000194900000000, -0.0001897400000000 ] - [ 0.0003656400000000, 0.0000000000000000, -0.0006625400000000 ] - [ 0.0004071800000000, 0.0000038900000000, -0.0005334300000000 ] - [ 0.0004071800000000, -0.0000038900000000, -0.0005334300000000 ] - [ 0.0024379000000000, 0.0000000000000000, -0.0001693000000000 ] - [ 0.0023683100000000, -0.0000060200000000, -0.0001716600000000 ] - [ 0.0023683100000000, 0.0000060200000000, -0.0001716600000000 ] - [ -0.0001091200000000, 0.0000000000000000, -0.0016019700000000 ] - [ -0.0001232500000000, -0.0000270300000000, -0.0020802900000000 ] - [ -0.0001232500000000, 0.0000270300000000, -0.0020802900000000 ] - [ 0.0023738900000000, 0.0000000000000000, 0.0002616200000000 ] - [ 0.0024294700000000, 0.0000310500000000, 0.0002534400000000 ] - [ 0.0024294700000000, -0.0000310500000000, 0.0002534400000000 ] - [ 0.0027327100000000, 0.0000000000000000, 0.0002016600000000 ] - [ 0.0024689000000000, 0.0000032400000000, 0.0002182300000000 ] - [ 0.0024689000000000, -0.0000032400000000, 0.0002182300000000 ] - [ 0.0093517000000000, -0.0002193600000000, -0.0028474000000000 ] - [ 0.0093517000000000, 0.0002193600000000, -0.0028474000000000 ] - [ 0.0056463200000000, 0.0000000000000000, -0.0034170500000000 ] - [ 0.0047279300000000, 0.0001496300000000, -0.0034213800000000 ] - [ 0.0047279300000000, -0.0001496300000000, -0.0034213800000000 ] - [ 0.0046749300000000, 0.0000000000000000, -0.0033798800000000 ] - [ 0.0032425900000000, -0.0005791500000000, -0.0025082800000000 ] - [ 0.0032425900000000, 0.0005791500000000, -0.0025082800000000 ] - [ 0.0048107400000000, 0.0000000000000000, -0.0025292700000000 ] - [ 0.0069264900000000, 0.0000708600000000, -0.0006658600000000 ] - [ 0.0069264900000000, -0.0000708600000000, -0.0006658600000000 ] - [ 0.0069264400000000, 0.0000000000000000, -0.0006709900000000 ] - [ 0.0030764500000000, -0.0003777900000000, -0.0043445000000000 ] - [ 0.0030764500000000, 0.0003777900000000, -0.0043445000000000 ] - [ 0.0046248400000000, 0.0000000000000000, -0.0043617500000000 ] - [ 0.0051467200000000, 0.0000025000000000, -0.0039879500000000 ] - [ 0.0051467200000000, -0.0000025000000000, -0.0039879500000000 ] - [ 0.0051804100000000, 0.0000000000000000, -0.0039870000000000 ] - [ 0.0068754300000000, 0.0000093300000000, 0.0043543500000000 ] - [ 0.0068754300000000, -0.0000093300000000, 0.0043543500000000 ] - [ 0.0068754700000000, 0.0000000000000000, 0.0043577600000000 ] - [ 0.0000406900000000, 0.0005789500000000, 0.0008224700000000 ] - [ 0.0000406900000000, -0.0005789500000000, 0.0008224700000000 ] - [ 0.0003811400000000, 0.0000000000000000, 0.0002277700000000 ] - [ 0.0010176900000000, -0.0042387300000000, -0.0001403900000000 ] - [ 0.0010176900000000, 0.0042387300000000, -0.0001403900000000 ] - [ -0.0003106400000000, 0.0000000000000000, 0.0000764300000000 ] - [ -0.0003310800000000, -0.0009380400000000, 0.0005583300000000 ] - [ -0.0003310800000000, 0.0009380400000000, 0.0005583300000000 ] - [ -0.0003834900000000, 0.0000000000000000, -0.0001362500000000 ] - [ 0.0003612500000000, 0.0042514600000000, 0.0005964600000000 ] - [ 0.0003612500000000, -0.0042514600000000, 0.0005964600000000 ] - [ -0.0000185600000000, 0.0000000000000000, -0.0000112700000000 ] - [ -0.0007942200000000, 0.0006679100000000, -0.0007468000000000 ] - [ -0.0007942200000000, -0.0006679100000000, -0.0007468000000000 ] - [ -0.0005898300000000, 0.0000000000000000, -0.0000525300000000 ] - [ 0.0001197600000000, -0.0000240600000000, 0.0000438300000000 ] - [ 0.0001197600000000, 0.0000240600000000, 0.0000438300000000 ] - [ 0.0000995600000000, 0.0000000000000000, 0.0000328700000000 ] - [ -0.0006468700000000, -0.0000248100000000, -0.0001740200000000 ] - [ -0.0006468700000000, 0.0000248100000000, -0.0001740200000000 ] - [ -0.0006195100000000, 0.0000000000000000, -0.0001773100000000 ] - [ -0.0094703400000000, 0.0000000000000000, -0.0032257200000000 ] - [ -0.0094371100000000, 0.0000112400000000, -0.0032608000000000 ] - [ -0.0094371100000000, -0.0000112400000000, -0.0032608000000000 ] - [ -0.0113015500000000, 0.0000000000000000, 0.0044275100000000 ] - [ -0.0112290100000000, 0.0001622600000000, 0.0052460700000000 ] - [ -0.0112290100000000, -0.0001622600000000, 0.0052460700000000 ] - [ -0.0031770000000000, 0.0000000000000000, 0.0094405500000000 ] - [ -0.0033873400000000, -0.0000364900000000, 0.0086533900000000 ] - [ -0.0033873400000000, 0.0000364900000000, 0.0086533900000000 ] - [ -0.0234458400000000, 0.0000000000000000, 0.0053553200000000 ] - [ -0.0066414300000000, 0.0002002800000000, 0.0049055300000000 ] - [ -0.0066414300000000, -0.0002002800000000, 0.0049055300000000 ] - [ 0.0088776700000000, 0.0000000000000000, 0.0057505500000000 ] - [ -0.0057210900000000, -0.0002199200000000, 0.0058813500000000 ] - [ -0.0057210900000000, 0.0002199200000000, 0.0058813500000000 ] - [ -0.0253587700000000, 0.0000000000000000, 0.0035940900000000 ] - [ -0.0081853000000000, -0.0000719200000000, 0.0047579200000000 ] - [ -0.0081853000000000, 0.0000719200000000, 0.0047579200000000 ] - [ 0.0078905800000000, 0.0000000000000000, 0.0046959300000000 ] - [ -0.0059279800000000, -0.0002495100000000, 0.0035348200000000 ] - [ -0.0059279800000000, 0.0002495100000000, 0.0035348200000000 ] - [ -0.0071641400000000, 0.0000000000000000, 0.0048682600000000 ] - [ -0.0070361400000000, 0.0000989800000000, 0.0043851900000000 ] - [ -0.0070361400000000, -0.0000989800000000, 0.0043851900000000 ] - [ -0.0087756000000000, 0.0000000000000000, 0.0024481500000000 ] - [ -0.0087614100000000, 0.0000504500000000, 0.0025072700000000 ] - [ -0.0087614100000000, -0.0000504500000000, 0.0025072700000000 ] - [ -0.0068107200000000, 0.0000000000000000, 0.0049583400000000 ] - [ -0.0069197200000000, 0.0000174200000000, 0.0051067700000000 ] - [ -0.0069197200000000, -0.0000174200000000, 0.0051067700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001482100000000, 0.0002826000000000, -0.0005110200000000 ] - [ -0.0009230500000000, 0.0002918300000000, 0.0003840000000000 ] - [ -0.0005361800000000, -0.0004720300000000, -0.0000630200000000 ] - [ -0.0001184900000000, 0.0000517000000000, 0.0000182000000000 ] - [ -0.0001466000000000, 0.0000539800000000, 0.0000947800000000 ] - [ -0.0001328600000000, -0.0001064800000000, 0.0000566500000000 ] - [ -0.0001685300000000, 0.0000529800000000, 0.0002690800000000 ] - [ -0.0001413600000000, 0.0000553600000000, 0.0003503400000000 ] - [ -0.0001546500000000, -0.0001062800000000, 0.0003100400000000 ] - [ 0.0050587000000000, 0.0111541100000000, 0.0107937600000000 ] - [ 0.0039063600000000, 0.0112632300000000, -0.0184225000000000 ] - [ 0.0044858200000000, 0.0048495400000000, -0.0037051600000000 ] - [ 0.0095431900000000, -0.0004450000000000, -0.0031185200000000 ] - [ 0.0097292700000000, -0.0004667200000000, -0.0037707400000000 ] - [ 0.0096370800000000, 0.0013333300000000, -0.0034489400000000 ] - [ 0.0014340600000000, -0.0003386100000000, -0.0070814500000000 ] - [ 0.0013238600000000, -0.0003498300000000, -0.0073501700000000 ] - [ 0.0013787900000000, 0.0006912800000000, -0.0072166700000000 ] - [ -0.0006160600000000, -0.0557108200000000, -0.0011612900000000 ] - [ -0.0006694200000000, 0.0024578400000000, -0.0013146400000000 ] - [ -0.0006237400000000, 0.0024540200000000, -0.0012757400000000 ] - [ 0.0019318900000000, -0.0042082100000000, 0.0002857800000000 ] - [ 0.0029626900000000, 0.0011578300000000, -0.0001968100000000 ] - [ 0.0009865500000000, 0.0011560400000000, 0.0007058100000000 ] - [ -0.0003183400000000, -0.0004680900000000, -0.0019710800000000 ] - [ -0.0003172800000000, 0.0002761400000000, -0.0028367900000000 ] - [ -0.0003205300000000, 0.0002792500000000, -0.0011330300000000 ] - [ 0.0019950800000000, -0.0047793700000000, 0.0000858400000000 ] - [ 0.0009954000000000, 0.0012831400000000, -0.0006233900000000 ] - [ 0.0028922600000000, 0.0012814100000000, 0.0007277100000000 ] - [ -0.0000327700000000, 0.0006809700000000, -0.0012668100000000 ] - [ -0.0004052100000000, 0.0014959700000000, -0.0040338700000000 ] - [ 0.0003014400000000, 0.0014879000000000, 0.0013394900000000 ] - [ 0.0022121000000000, -0.0049497700000000, -0.0001333900000000 ] - [ 0.0033178800000000, 0.0011534200000000, 0.0005379400000000 ] - [ 0.0012449300000000, 0.0011555800000000, -0.0007122800000000 ] - [ 0.0003454600000000, -0.0023227000000000, -0.0012226900000000 ] - [ 0.0007907400000000, 0.0018563400000000, -0.0009911600000000 ] - [ -0.0000994300000000, 0.0018394600000000, -0.0014648900000000 ] - [ -0.0005027400000000, -0.0000279600000000, -0.0019572500000000 ] - [ -0.0005410000000000, 0.0001482400000000, -0.0016011400000000 ] - [ -0.0004700500000000, 0.0001510800000000, -0.0022896000000000 ] - [ 0.0024772500000000, -0.0002539700000000, 0.0005350300000000 ] - [ 0.0026584500000000, 0.0001157000000000, 0.0007636400000000 ] - [ 0.0023070900000000, 0.0001195900000000, 0.0003168300000000 ] - [ -0.0004807600000000, -0.0004571600000000, -0.0011680900000000 ] - [ -0.0004621500000000, 0.0002848800000000, -0.0003417100000000 ] - [ -0.0004938600000000, 0.0002897000000000, -0.0019589300000000 ] - [ 0.0026615100000000, -0.0040686200000000, 0.0004128700000000 ] - [ 0.0016575100000000, 0.0011367900000000, 0.0010580400000000 ] - [ 0.0035512300000000, 0.0011384000000000, -0.0001642000000000 ] - [ 0.0001360700000000, 0.0007437400000000, -0.0015905100000000 ] - [ 0.0001283100000000, 0.0016262800000000, 0.0012385600000000 ] - [ 0.0001354200000000, 0.0016230000000000, -0.0042287900000000 ] - [ 0.0029352300000000, -0.0000660600000000, -0.0003510400000000 ] - [ 0.0029582100000000, 0.0000318300000000, -0.0003627700000000 ] - [ 0.0029131100000000, 0.0000332400000000, -0.0003394600000000 ] - [ -0.0002820000000000, -0.0001113600000000, -0.0014196400000000 ] - [ -0.0002769600000000, 0.0000571500000000, -0.0012355500000000 ] - [ -0.0002865200000000, 0.0000589300000000, -0.0015953800000000 ] - [ 0.0014120700000000, -0.0001661700000000, -0.0001798000000000 ] - [ 0.0015697500000000, 0.0000936700000000, -0.0004306600000000 ] - [ 0.0012632900000000, 0.0000958900000000, 0.0000620800000000 ] - [ 0.0004187600000000, -0.0000860900000000, -0.0004543500000000 ] - [ 0.0004094200000000, 0.0000442200000000, -0.0007034900000000 ] - [ 0.0004277200000000, 0.0000454800000000, -0.0002136000000000 ] - [ 0.0023495800000000, -0.0000569400000000, -0.0001662200000000 ] - [ 0.0023330400000000, 0.0000252900000000, -0.0001777400000000 ] - [ 0.0023640600000000, 0.0000263900000000, -0.0001550000000000 ] - [ -0.0001234100000000, 0.0000000600000000, -0.0020560200000000 ] - [ -0.0001255600000000, 0.0001319700000000, -0.0025351500000000 ] - [ -0.0001248900000000, 0.0001339000000000, -0.0016002400000000 ] - [ 0.0024353600000000, -0.0003311800000000, 0.0001814600000000 ] - [ 0.0022905600000000, 0.0001418000000000, 0.0004182800000000 ] - [ 0.0025694700000000, 0.0001454200000000, -0.0000446700000000 ] - [ 0.0024184800000000, -0.0002542200000000, 0.0002655200000000 ] - [ 0.0022730300000000, 0.0000985700000000, 0.0000166100000000 ] - [ 0.0025519400000000, 0.0001012500000000, 0.0005022600000000 ] - [ 0.0058914100000000, 0.0111509500000000, -0.0179820000000000 ] - [ 0.0051602500000000, 0.0112017000000000, 0.0112415300000000 ] - [ 0.0055271000000000, 0.0044212200000000, -0.0034623300000000 ] - [ 0.0046259900000000, -0.0004114600000000, -0.0037195700000000 ] - [ 0.0046740400000000, -0.0004359300000000, -0.0030985000000000 ] - [ 0.0046500500000000, 0.0012970400000000, -0.0034047000000000 ] - [ 0.0047641400000000, -0.0012538800000000, -0.0015396000000000 ] - [ 0.0051307300000000, -0.0012794100000000, -0.0036327600000000 ] - [ 0.0049472700000000, 0.0024159800000000, -0.0025812400000000 ] - [ 0.0069194400000000, -0.0001082700000000, -0.0006747000000000 ] - [ 0.0069255300000000, -0.0001149800000000, -0.0006715700000000 ] - [ 0.0069225400000000, 0.0003417000000000, -0.0006730300000000 ] - [ 0.0046152600000000, -0.0011871200000000, -0.0051482600000000 ] - [ 0.0048226700000000, -0.0012175600000000, -0.0035057900000000 ] - [ 0.0047199100000000, 0.0023835200000000, -0.0043309800000000 ] - [ 0.0051913500000000, -0.0002955100000000, -0.0041883500000000 ] - [ 0.0052123800000000, -0.0003066700000000, -0.0038109300000000 ] - [ 0.0052022400000000, 0.0006084600000000, -0.0039983300000000 ] - [ 0.0068742700000000, -0.0001179200000000, 0.0043609600000000 ] - [ 0.0068802800000000, -0.0001224600000000, 0.0043714900000000 ] - [ 0.0068773400000000, 0.0002411200000000, 0.0043663900000000 ] - [ -0.0006232800000000, 0.0006677300000000, -0.0009429700000000 ] - [ 0.0014888500000000, 0.0006902600000000, 0.0011675100000000 ] - [ 0.0004340300000000, -0.0010988800000000, 0.0001111700000000 ] - [ 0.0041718900000000, -0.0001350100000000, -0.0001941800000000 ] - [ -0.0046556500000000, 0.0000157200000000, 0.0003587000000000 ] - [ -0.0003032400000000, -0.0020315300000000, 0.0000870100000000 ] - [ 0.0005222700000000, 0.0005712100000000, 0.0008671900000000 ] - [ -0.0013109200000000, 0.0005972400000000, -0.0012047300000000 ] - [ -0.0003972800000000, -0.0010056500000000, -0.0001724300000000 ] - [ -0.0045383000000000, 0.0000033400000000, -0.0003867500000000 ] - [ 0.0043358700000000, 0.0001606700000000, 0.0004733400000000 ] - [ -0.0000357500000000, -0.0019377100000000, 0.0000468200000000 ] - [ -0.0015482100000000, 0.0005562800000000, 0.0011847700000000 ] - [ 0.0003827200000000, 0.0005779200000000, -0.0011078800000000 ] - [ -0.0005804400000000, -0.0009474600000000, 0.0000356200000000 ] - [ 0.0001140800000000, 0.0001107900000000, 0.0001280000000000 ] - [ 0.0000670600000000, 0.0001159700000000, -0.0000673600000000 ] - [ 0.0000900100000000, -0.0002239300000000, 0.0000288500000000 ] - [ -0.0006361200000000, 0.0001073500000000, -0.0000707000000000 ] - [ -0.0005801800000000, 0.0001121200000000, -0.0002519400000000 ] - [ -0.0006070700000000, -0.0002221300000000, -0.0001621400000000 ] - [ -0.0094371700000000, 0.0002189500000000, -0.0033058400000000 ] - [ -0.0094432000000000, -0.0001080700000000, -0.0032656800000000 ] - [ -0.0094306800000000, -0.0001125600000000, -0.0033450700000000 ] - [ -0.0111792900000000, 0.0010502100000000, 0.0051603500000000 ] - [ -0.0113919400000000, -0.0007110300000000, 0.0072338400000000 ] - [ -0.0109745400000000, -0.0007282800000000, 0.0031703000000000 ] - [ -0.0034644500000000, 0.0007305700000000, 0.0084885300000000 ] - [ -0.0034015400000000, -0.0003662300000000, 0.0092416500000000 ] - [ -0.0035222700000000, -0.0003761300000000, 0.0077586000000000 ] - [ -0.0059971900000000, 0.0173040000000000, 0.0050225800000000 ] - [ -0.0060125900000000, -0.0093521700000000, 0.0067778500000000 ] - [ -0.0059249800000000, -0.0092993100000000, 0.0030833600000000 ] - [ -0.0063915300000000, 0.0031162200000000, 0.0057529200000000 ] - [ -0.0063661600000000, -0.0015044500000000, 0.0041209200000000 ] - [ -0.0064243400000000, -0.0015167900000000, 0.0073768900000000 ] - [ -0.0075209800000000, 0.0190671100000000, 0.0046055500000000 ] - [ -0.0078236700000000, -0.0094844500000000, 0.0032824900000000 ] - [ -0.0072245100000000, -0.0094659100000000, 0.0062346300000000 ] - [ -0.0067580900000000, 0.0033895900000000, 0.0036410300000000 ] - [ -0.0067776100000000, -0.0016182500000000, 0.0050530600000000 ] - [ -0.0067376700000000, -0.0016284600000000, 0.0022396800000000 ] - [ -0.0069584200000000, 0.0009096400000000, 0.0045167800000000 ] - [ -0.0069711100000000, -0.0006494000000000, 0.0025788400000000 ] - [ -0.0069402400000000, -0.0006663100000000, 0.0063649000000000 ] - [ -0.0087632600000000, 0.0001280600000000, 0.0025072600000000 ] - [ -0.0087557000000000, -0.0001712400000000, 0.0025548800000000 ] - [ -0.0087678900000000, -0.0001767600000000, 0.0024596300000000 ] - [ -0.0069998400000000, 0.0006501400000000, 0.0051621200000000 ] - [ -0.0070025300000000, -0.0003238100000000, 0.0045190600000000 ] - [ -0.0069980200000000, -0.0003337700000000, 0.0057796500000000 ]- atom: 19 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ 0.0005210900000000, -0.0017258100000000, -0.0013012500000000 ] - [ 0.0005210900000000, 0.0017258100000000, -0.0013012500000000 ] - [ -0.0002959600000000, 0.0000000000000000, -0.0001786000000000 ] - [ 0.0000216400000000, -0.0002547100000000, -0.0011255000000000 ] - [ 0.0000216400000000, 0.0002547100000000, -0.0011255000000000 ] - [ -0.0000318500000000, 0.0000000000000000, -0.0008493700000000 ] - [ -0.0002894000000000, -0.0002703700000000, -0.0009957300000000 ] - [ -0.0002894000000000, 0.0002703700000000, -0.0009957300000000 ] - [ -0.0002473200000000, 0.0000000000000000, -0.0006975800000000 ] - [ 0.0062150400000000, 0.0293806000000000, 0.0060284100000000 ] - [ 0.0062150400000000, -0.0293806000000000, 0.0060284100000000 ] - [ 0.0050234200000000, 0.0000000000000000, -0.0060861200000000 ] - [ 0.0093817600000000, 0.0031117700000000, -0.0010581800000000 ] - [ 0.0093817600000000, -0.0031117700000000, -0.0010581800000000 ] - [ 0.0096163000000000, 0.0000000000000000, -0.0021121400000000 ] - [ 0.0015929400000000, 0.0019127500000000, -0.0060051200000000 ] - [ 0.0015929400000000, -0.0019127500000000, -0.0060051200000000 ] - [ 0.0014726100000000, 0.0000000000000000, -0.0065109700000000 ] - [ -0.0028371200000000, 0.0000000000000000, -0.2211540200000000 ] - [ -0.0005804000000000, 0.0000130200000000, -0.0142843400000000 ] - [ -0.0005804000000000, -0.0000130200000000, -0.0142843400000000 ] - [ -0.0243858600000000, 0.0000000000000000, 0.0103651200000000 ] - [ -0.0001855400000000, -0.0016266900000000, -0.0015678600000000 ] - [ -0.0001855400000000, 0.0016266900000000, -0.0015678600000000 ] - [ -0.0001664100000000, 0.0000000000000000, 0.0030405900000000 ] - [ 0.0000527400000000, -0.0007521800000000, -0.0017647200000000 ] - [ 0.0000527400000000, 0.0007521800000000, -0.0017647200000000 ] - [ 0.0255851200000000, 0.0000000000000000, 0.0076853500000000 ] - [ 0.0033090800000000, -0.0016057500000000, -0.0020061700000000 ] - [ 0.0033090800000000, 0.0016057500000000, -0.0020061700000000 ] - [ 0.0071540500000000, 0.0000000000000000, 0.0297184600000000 ] - [ -0.0000830200000000, -0.0025206300000000, 0.0015331400000000 ] - [ -0.0000830200000000, 0.0025206300000000, 0.0015331400000000 ] - [ 0.0327969600000000, 0.0000000000000000, 0.0103684500000000 ] - [ 0.0040519400000000, 0.0016576200000000, -0.0020136600000000 ] - [ 0.0040519400000000, -0.0016576200000000, -0.0020136600000000 ] - [ 0.0002871500000000, 0.0000000000000000, -0.0213246700000000 ] - [ 0.0000929200000000, -0.0003472400000000, -0.0087755500000000 ] - [ 0.0000929200000000, 0.0003472400000000, -0.0087755500000000 ] - [ -0.0008894300000000, 0.0000000000000000, 0.0070424500000000 ] - [ -0.0004714900000000, 0.0003721500000000, 0.0023451500000000 ] - [ -0.0004714900000000, -0.0003721500000000, 0.0023451500000000 ] - [ 0.0045006000000000, 0.0000000000000000, 0.0033752200000000 ] - [ 0.0029973700000000, 0.0005917100000000, 0.0015934100000000 ] - [ 0.0029973700000000, -0.0005917100000000, 0.0015934100000000 ] - [ 0.0009719000000000, 0.0000000000000000, 0.0031590300000000 ] - [ -0.0002327500000000, 0.0008210200000000, -0.0017926100000000 ] - [ -0.0002327500000000, -0.0008210200000000, -0.0017926100000000 ] - [ -0.0193046700000000, 0.0000000000000000, 0.0062436100000000 ] - [ 0.0009395600000000, 0.0015521400000000, -0.0015345000000000 ] - [ 0.0009395600000000, -0.0015521400000000, -0.0015345000000000 ] - [ -0.0014796000000000, 0.0000000000000000, 0.0329456800000000 ] - [ 0.0001616400000000, 0.0026878000000000, 0.0003771200000000 ] - [ 0.0001616400000000, -0.0026878000000000, 0.0003771200000000 ] - [ 0.0031031700000000, 0.0000000000000000, 0.0018280500000000 ] - [ 0.0029949700000000, 0.0000635800000000, 0.0011273600000000 ] - [ 0.0029949700000000, -0.0000635800000000, 0.0011273600000000 ] - [ -0.0002316400000000, 0.0000000000000000, 0.0042089300000000 ] - [ -0.0003027400000000, 0.0002023600000000, 0.0021476300000000 ] - [ -0.0003027400000000, -0.0002023600000000, 0.0021476300000000 ] - [ -0.0003532400000000, 0.0000000000000000, 0.0025865700000000 ] - [ 0.0009506300000000, -0.0004181500000000, 0.0006754500000000 ] - [ 0.0009506300000000, 0.0004181500000000, 0.0006754500000000 ] - [ 0.0003187700000000, 0.0000000000000000, 0.0067558000000000 ] - [ 0.0003050300000000, -0.0001528900000000, 0.0042469700000000 ] - [ 0.0003050300000000, 0.0001528900000000, 0.0042469700000000 ] - [ 0.0023229700000000, 0.0000000000000000, 0.0018491900000000 ] - [ 0.0023381900000000, 0.0000143100000000, 0.0011398800000000 ] - [ 0.0023381900000000, -0.0000143100000000, 0.0011398800000000 ] - [ 0.0000051800000000, 0.0000000000000000, 0.0083598500000000 ] - [ -0.0002070700000000, -0.0003026900000000, 0.0033943800000000 ] - [ -0.0002070700000000, 0.0003026900000000, 0.0033943800000000 ] - [ 0.0006722500000000, 0.0000000000000000, 0.0030026900000000 ] - [ 0.0019294500000000, 0.0006002100000000, 0.0011536000000000 ] - [ 0.0019294500000000, -0.0006002100000000, 0.0011536000000000 ] - [ 0.0044692600000000, 0.0000000000000000, 0.0034952200000000 ] - [ 0.0028952600000000, -0.0004590800000000, 0.0012066600000000 ] - [ 0.0028952600000000, 0.0004590800000000, 0.0012066600000000 ] - [ 0.0041871700000000, -0.0297555200000000, 0.0047091600000000 ] - [ 0.0041871700000000, 0.0297555200000000, 0.0047091600000000 ] - [ 0.0051373600000000, 0.0000000000000000, -0.0052960000000000 ] - [ 0.0045704100000000, -0.0032699700000000, -0.0009152200000000 ] - [ 0.0045704100000000, 0.0032699700000000, -0.0009152200000000 ] - [ 0.0045539800000000, 0.0000000000000000, -0.0020198300000000 ] - [ 0.0044964200000000, 0.0045169700000000, -0.0050356300000000 ] - [ 0.0044964200000000, -0.0045169700000000, -0.0050356300000000 ] - [ 0.0049432000000000, 0.0000000000000000, -0.0041971400000000 ] - [ 0.0070181700000000, -0.0000700700000000, 0.0013144600000000 ] - [ 0.0070181700000000, 0.0000700700000000, 0.0013144600000000 ] - [ 0.0070001400000000, 0.0000000000000000, 0.0009751000000000 ] - [ 0.0052638700000000, -0.0043573800000000, -0.0068859900000000 ] - [ 0.0052638700000000, 0.0043573800000000, -0.0068859900000000 ] - [ 0.0047869200000000, 0.0000000000000000, -0.0059398800000000 ] - [ 0.0053208500000000, -0.0016925100000000, -0.0026153800000000 ] - [ 0.0053208500000000, 0.0016925100000000, -0.0026153800000000 ] - [ 0.0052152200000000, 0.0000000000000000, -0.0032531700000000 ] - [ 0.0068340800000000, 0.0000050200000000, 0.0058800500000000 ] - [ 0.0068340800000000, -0.0000050200000000, 0.0058800500000000 ] - [ 0.0068361300000000, 0.0000000000000000, 0.0056430800000000 ] - [ -0.0024526800000000, -0.0032611200000000, -0.0016791800000000 ] - [ -0.0024526800000000, 0.0032611200000000, -0.0016791800000000 ] - [ -0.0002662700000000, 0.0000000000000000, 0.0000970300000000 ] - [ 0.0015045500000000, -0.0018985000000000, 0.0129880100000000 ] - [ 0.0015045500000000, 0.0018985000000000, 0.0129880100000000 ] - [ -0.0004303500000000, 0.0000000000000000, 0.0040564300000000 ] - [ -0.0029427800000000, 0.0039539300000000, -0.0026552700000000 ] - [ -0.0029427800000000, -0.0039539300000000, -0.0026552700000000 ] - [ -0.0009298000000000, 0.0000000000000000, -0.0000223700000000 ] - [ -0.0015024000000000, -0.0015333700000000, 0.0124571500000000 ] - [ -0.0015024000000000, 0.0015333700000000, 0.0124571500000000 ] - [ 0.0001304300000000, 0.0000000000000000, 0.0040141000000000 ] - [ 0.0019736100000000, 0.0029855900000000, -0.0018041100000000 ] - [ 0.0019736100000000, -0.0029855900000000, -0.0018041100000000 ] - [ -0.0000418800000000, 0.0000000000000000, 0.0002761500000000 ] - [ -0.0001756000000000, 0.0005667500000000, -0.0024614000000000 ] - [ -0.0001756000000000, -0.0005667500000000, -0.0024614000000000 ] - [ -0.0000581200000000, 0.0000000000000000, -0.0017711500000000 ] - [ -0.0003104100000000, 0.0005625400000000, -0.0023859800000000 ] - [ -0.0003104100000000, -0.0005625400000000, -0.0023859800000000 ] - [ -0.0004457000000000, 0.0000000000000000, -0.0017816400000000 ] - [ -0.0087597200000000, 0.0000000000000000, -0.0120871100000000 ] - [ -0.0090010100000000, -0.0000187000000000, -0.0093756900000000 ] - [ -0.0090010100000000, 0.0000187000000000, -0.0093756900000000 ] - [ -0.0093065800000000, 0.0000000000000000, -0.0145008800000000 ] - [ -0.0104499600000000, 0.0026068300000000, -0.0011007600000000 ] - [ -0.0104499600000000, -0.0026068300000000, -0.0011007600000000 ] - [ -0.0046558300000000, 0.0000000000000000, -0.0006421200000000 ] - [ -0.0039237900000000, 0.0017762000000000, 0.0044806300000000 ] - [ -0.0039237900000000, -0.0017762000000000, 0.0044806300000000 ] - [ -0.0167802800000000, 0.0000000000000000, 0.0076334000000000 ] - [ -0.0050669300000000, 0.0151822500000000, 0.0117647700000000 ] - [ -0.0050669300000000, -0.0151822500000000, 0.0117647700000000 ] - [ -0.0091655700000000, 0.0000000000000000, 0.0177487300000000 ] - [ -0.0062137600000000, -0.0029564600000000, 0.0120764400000000 ] - [ -0.0062137600000000, 0.0029564600000000, 0.0120764400000000 ] - [ -0.0075058500000000, 0.0000000000000000, 0.0663644800000000 ] - [ -0.0079158200000000, -0.0150637500000000, 0.0133318900000000 ] - [ -0.0079158200000000, 0.0150637500000000, 0.0133318900000000 ] - [ -0.0046985700000000, 0.0000000000000000, 0.0141039000000000 ] - [ -0.0066817600000000, 0.0032582300000000, 0.0086879200000000 ] - [ -0.0066817600000000, -0.0032582300000000, 0.0086879200000000 ] - [ -0.0065263400000000, 0.0000000000000000, -0.0127253900000000 ] - [ -0.0068908300000000, -0.0024055400000000, 0.0001049900000000 ] - [ -0.0068908300000000, 0.0024055400000000, 0.0001049900000000 ] - [ -0.0094548700000000, 0.0000000000000000, -0.0075541200000000 ] - [ -0.0091276600000000, -0.0000569900000000, -0.0037706500000000 ] - [ -0.0091276600000000, 0.0000569900000000, -0.0037706500000000 ] - [ -0.0072919200000000, 0.0000000000000000, -0.0017253300000000 ] - [ -0.0070937400000000, -0.0014929900000000, 0.0028892700000000 ] - [ -0.0070937400000000, 0.0014929900000000, 0.0028892700000000 ]- atom: 19 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0015997500000000, 0.0017417300000000, 0.0011663300000000 ] - [ -0.0015997500000000, -0.0017417300000000, 0.0011663300000000 ] - [ -0.0007769500000000, 0.0000000000000000, 0.0000406400000000 ] - [ -0.0002884100000000, 0.0002579900000000, 0.0012442800000000 ] - [ -0.0002884100000000, -0.0002579900000000, 0.0012442800000000 ] - [ -0.0002339000000000, 0.0000000000000000, 0.0009646400000000 ] - [ -0.0000203100000000, 0.0002737200000000, 0.0016200900000000 ] - [ -0.0000203100000000, -0.0002737200000000, 0.0016200900000000 ] - [ -0.0000626500000000, 0.0000000000000000, 0.0013190000000000 ] - [ 0.0027336200000000, -0.0297322600000000, -0.0133951800000000 ] - [ 0.0027336200000000, 0.0297322600000000, -0.0133951800000000 ] - [ 0.0039456700000000, 0.0000000000000000, -0.0013028800000000 ] - [ 0.0098904600000000, -0.0031495300000000, -0.0058454600000000 ] - [ 0.0098904600000000, 0.0031495300000000, -0.0058454600000000 ] - [ 0.0096547000000000, 0.0000000000000000, -0.0047791900000000 ] - [ 0.0011666400000000, -0.0019295600000000, -0.0084217000000000 ] - [ 0.0011666400000000, 0.0019295600000000, -0.0084217000000000 ] - [ 0.0012868500000000, 0.0000000000000000, -0.0079140200000000 ] - [ 0.0012062100000000, 0.0000000000000000, 0.2156278500000000 ] - [ -0.0007129700000000, -0.0000255600000000, 0.0116986900000000 ] - [ -0.0007129700000000, 0.0000255600000000, 0.0116986900000000 ] - [ 0.0288405500000000, 0.0000000000000000, -0.0098639200000000 ] - [ 0.0041530100000000, 0.0016212700000000, 0.0021041900000000 ] - [ 0.0041530100000000, -0.0016212700000000, 0.0021041900000000 ] - [ -0.0004456700000000, 0.0000000000000000, -0.0069797000000000 ] - [ -0.0006917500000000, 0.0007552100000000, -0.0021582200000000 ] - [ -0.0006917500000000, -0.0007552100000000, -0.0021582200000000 ] - [ -0.0218050100000000, 0.0000000000000000, -0.0074982300000000 ] - [ 0.0005748300000000, 0.0015962200000000, 0.0021480400000000 ] - [ 0.0005748300000000, -0.0015962200000000, 0.0021480400000000 ] - [ -0.0073642800000000, 0.0000000000000000, -0.0328348600000000 ] - [ -0.0000187400000000, 0.0025342900000000, -0.0041839200000000 ] - [ -0.0000187400000000, -0.0025342900000000, -0.0041839200000000 ] - [ -0.0278755700000000, 0.0000000000000000, -0.0106605000000000 ] - [ 0.0005167300000000, -0.0016678200000000, 0.0018128700000000 ] - [ 0.0005167300000000, 0.0016678200000000, 0.0018128700000000 ] - [ 0.0004285700000000, 0.0000000000000000, 0.0188803800000000 ] - [ 0.0005835800000000, 0.0003074000000000, 0.0063178700000000 ] - [ 0.0005835800000000, -0.0003074000000000, 0.0063178700000000 ] - [ -0.0001277100000000, 0.0000000000000000, -0.0109198800000000 ] - [ -0.0005389500000000, -0.0003678400000000, -0.0062486700000000 ] - [ -0.0005389500000000, 0.0003678400000000, -0.0062486700000000 ] - [ 0.0004912800000000, 0.0000000000000000, -0.0022943900000000 ] - [ 0.0019707600000000, -0.0005886300000000, -0.0005226700000000 ] - [ 0.0019707600000000, 0.0005886300000000, -0.0005226700000000 ] - [ -0.0019127100000000, 0.0000000000000000, -0.0055141200000000 ] - [ -0.0007219700000000, -0.0008208800000000, -0.0005550500000000 ] - [ -0.0007219700000000, 0.0008208800000000, -0.0005550500000000 ] - [ 0.0244526200000000, 0.0000000000000000, -0.0054721300000000 ] - [ 0.0042687800000000, -0.0015636900000000, 0.0023999000000000 ] - [ 0.0042687800000000, 0.0015636900000000, 0.0023999000000000 ] - [ 0.0017298500000000, 0.0000000000000000, -0.0355311200000000 ] - [ 0.0001010900000000, -0.0026883000000000, -0.0034281200000000 ] - [ 0.0001010900000000, 0.0026883000000000, -0.0034281200000000 ] - [ 0.0027749100000000, 0.0000000000000000, -0.0025346300000000 ] - [ 0.0028794300000000, -0.0000619500000000, -0.0018318800000000 ] - [ 0.0028794300000000, 0.0000619500000000, -0.0018318800000000 ] - [ -0.0003302100000000, 0.0000000000000000, -0.0070528400000000 ] - [ -0.0002606100000000, -0.0002006200000000, -0.0049930900000000 ] - [ -0.0002606100000000, 0.0002006200000000, -0.0049930900000000 ] - [ 0.0032214800000000, 0.0000000000000000, -0.0029673700000000 ] - [ 0.0018894400000000, 0.0004218400000000, -0.0010367400000000 ] - [ 0.0018894400000000, -0.0004218400000000, -0.0010367400000000 ] - [ 0.0005221100000000, 0.0000000000000000, -0.0076807600000000 ] - [ 0.0005334000000000, 0.0001547600000000, -0.0051577100000000 ] - [ 0.0005334000000000, -0.0001547600000000, -0.0051577100000000 ] - [ 0.0023710600000000, 0.0000000000000000, -0.0021854500000000 ] - [ 0.0023578800000000, -0.0000128800000000, -0.0014745800000000 ] - [ 0.0023578800000000, 0.0000128800000000, -0.0014745800000000 ] - [ -0.0002579800000000, 0.0000000000000000, -0.0125414000000000 ] - [ -0.0000432000000000, 0.0003074400000000, -0.0075301000000000 ] - [ -0.0000432000000000, -0.0003074400000000, -0.0075301000000000 ] - [ 0.0041676500000000, 0.0000000000000000, -0.0026324700000000 ] - [ 0.0029281200000000, -0.0005977100000000, -0.0007908100000000 ] - [ 0.0029281200000000, 0.0005977100000000, -0.0007908100000000 ] - [ 0.0003319700000000, 0.0000000000000000, -0.0029915900000000 ] - [ 0.0019253300000000, 0.0004631400000000, -0.0006812900000000 ] - [ 0.0019253300000000, -0.0004631400000000, -0.0006812900000000 ] - [ 0.0068607000000000, 0.0295536200000000, -0.0117618700000000 ] - [ 0.0068607000000000, -0.0295536200000000, -0.0117618700000000 ] - [ 0.0059151900000000, 0.0000000000000000, -0.0016478300000000 ] - [ 0.0047286900000000, 0.0032394500000000, -0.0058977500000000 ] - [ 0.0047286900000000, -0.0032394500000000, -0.0058977500000000 ] - [ 0.0047457200000000, 0.0000000000000000, -0.0048024500000000 ] - [ 0.0054063400000000, -0.0045375100000000, -0.0000797800000000 ] - [ 0.0054063400000000, 0.0045375100000000, -0.0000797800000000 ] - [ 0.0049517200000000, 0.0000000000000000, -0.0009472600000000 ] - [ 0.0068271600000000, 0.0000594200000000, -0.0026639800000000 ] - [ 0.0068271600000000, -0.0000594200000000, -0.0026639800000000 ] - [ 0.0068447400000000, 0.0000000000000000, -0.0023239600000000 ] - [ 0.0041823900000000, 0.0043580400000000, -0.0018115600000000 ] - [ 0.0041823900000000, -0.0043580400000000, -0.0018115600000000 ] - [ 0.0046544200000000, 0.0000000000000000, -0.0027393200000000 ] - [ 0.0050844200000000, 0.0016846900000000, -0.0053925300000000 ] - [ 0.0050844200000000, -0.0016846900000000, -0.0053925300000000 ] - [ 0.0051891500000000, 0.0000000000000000, -0.0047539100000000 ] - [ 0.0069214200000000, -0.0000119900000000, 0.0028491600000000 ] - [ 0.0069214200000000, 0.0000119900000000, 0.0028491600000000 ] - [ 0.0069192800000000, 0.0000000000000000, 0.0030863600000000 ] - [ 0.0033441700000000, 0.0032843100000000, 0.0018736800000000 ] - [ 0.0033441700000000, -0.0032843100000000, 0.0018736800000000 ] - [ 0.0011384900000000, 0.0000000000000000, 0.0001045600000000 ] - [ -0.0019239700000000, 0.0017193600000000, -0.0128677500000000 ] - [ -0.0019239700000000, -0.0017193600000000, -0.0128677500000000 ] - [ -0.0001803600000000, 0.0000000000000000, -0.0038896400000000 ] - [ 0.0021398400000000, -0.0039362800000000, 0.0023378200000000 ] - [ 0.0021398400000000, 0.0039362800000000, 0.0023378200000000 ] - [ 0.0001362100000000, 0.0000000000000000, -0.0003024100000000 ] - [ 0.0012519500000000, 0.0013293100000000, -0.0124078100000000 ] - [ 0.0012519500000000, -0.0013293100000000, -0.0124078100000000 ] - [ -0.0001955600000000, 0.0000000000000000, -0.0039279900000000 ] - [ -0.0031229500000000, -0.0029750000000000, 0.0019126800000000 ] - [ -0.0031229500000000, 0.0029750000000000, 0.0019126800000000 ] - [ -0.0011185400000000, 0.0000000000000000, -0.0001839600000000 ] - [ 0.0003533300000000, -0.0005611900000000, 0.0025232200000000 ] - [ 0.0003533300000000, 0.0005611900000000, 0.0025232200000000 ] - [ 0.0002378000000000, 0.0000000000000000, 0.0018357600000000 ] - [ -0.0009006800000000, -0.0005571700000000, 0.0020663800000000 ] - [ -0.0009006800000000, 0.0005571700000000, 0.0020663800000000 ] - [ -0.0007667300000000, 0.0000000000000000, 0.0014647200000000 ] - [ -0.0101163300000000, 0.0000000000000000, 0.0054870600000000 ] - [ -0.0098732900000000, 0.0000127800000000, 0.0027693200000000 ] - [ -0.0098732900000000, -0.0000127800000000, 0.0027693200000000 ] - [ -0.0130693100000000, 0.0000000000000000, 0.0250357700000000 ] - [ -0.0119157800000000, -0.0026361100000000, 0.0114772300000000 ] - [ -0.0119157800000000, 0.0026361100000000, 0.0114772300000000 ] - [ -0.0022753300000000, 0.0000000000000000, 0.0176347100000000 ] - [ -0.0030040900000000, -0.0017907200000000, 0.0124856800000000 ] - [ -0.0030040900000000, 0.0017907200000000, 0.0124856800000000 ] - [ 0.0049420600000000, 0.0000000000000000, -0.0016491600000000 ] - [ -0.0068827500000000, -0.0152547700000000, -0.0019730100000000 ] - [ -0.0068827500000000, 0.0152547700000000, -0.0019730100000000 ] - [ -0.0037369200000000, 0.0000000000000000, -0.0061683000000000 ] - [ -0.0065809800000000, 0.0029723200000000, -0.0005053800000000 ] - [ -0.0065809800000000, -0.0029723200000000, -0.0005053800000000 ] - [ -0.0076406500000000, 0.0000000000000000, -0.0495151300000000 ] - [ -0.0071298000000000, 0.0150712300000000, -0.0037581800000000 ] - [ -0.0071298000000000, -0.0150712300000000, -0.0037581800000000 ] - [ -0.0090225300000000, 0.0000000000000000, -0.0069113600000000 ] - [ -0.0068368900000000, -0.0032544900000000, -0.0014734500000000 ] - [ -0.0068368900000000, 0.0032544900000000, -0.0014734500000000 ] - [ -0.0073764500000000, 0.0000000000000000, 0.0216065200000000 ] - [ -0.0070194300000000, 0.0023851100000000, 0.0088873700000000 ] - [ -0.0070194300000000, -0.0023851100000000, 0.0088873700000000 ] - [ -0.0080683900000000, 0.0000000000000000, 0.0125834200000000 ] - [ -0.0083955200000000, 0.0000494000000000, 0.0087923900000000 ] - [ -0.0083955200000000, -0.0000494000000000, 0.0087923900000000 ] - [ -0.0067104700000000, 0.0000000000000000, 0.0120684200000000 ] - [ -0.0069057000000000, 0.0014868700000000, 0.0074482300000000 ] - [ -0.0069057000000000, -0.0014868700000000, 0.0074482300000000 ]- atom: 22 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ 0.0034829200000000, 0.0013303800000000, 0.0010970200000000 ] - [ 0.0034829200000000, -0.0013303800000000, 0.0010970200000000 ] - [ -0.0000865000000000, 0.0000000000000000, -0.0001537100000000 ] - [ 0.0001739000000000, -0.0000243500000000, 0.0000432900000000 ] - [ 0.0001739000000000, 0.0000243500000000, 0.0000432900000000 ] - [ 0.0000339000000000, 0.0000000000000000, 0.0000469900000000 ] - [ -0.0004296300000000, 0.0000004000000000, 0.0002803400000000 ] - [ -0.0004296300000000, -0.0000004000000000, 0.0002803400000000 ] - [ -0.0003007200000000, 0.0000000000000000, 0.0002920100000000 ] - [ 0.0160612100000000, 0.0279417600000000, -0.0056112500000000 ] - [ 0.0160612100000000, -0.0279417600000000, -0.0056112500000000 ] - [ 0.0053741500000000, 0.0000000000000000, -0.0040965800000000 ] - [ 0.0097559400000000, 0.0018615400000000, -0.0021230400000000 ] - [ 0.0097559400000000, -0.0018615400000000, -0.0021230400000000 ] - [ 0.0097463100000000, 0.0000000000000000, -0.0030234600000000 ] - [ 0.0014093100000000, -0.0016446600000000, -0.0083288900000000 ] - [ 0.0014093100000000, 0.0016446600000000, -0.0083288900000000 ] - [ 0.0013326600000000, 0.0000000000000000, -0.0076019400000000 ] - [ 0.0089721200000000, 0.0000000000000000, -0.0278683600000000 ] - [ -0.0006705700000000, -0.0009943800000000, -0.0034652600000000 ] - [ -0.0006705700000000, 0.0009943800000000, -0.0034652600000000 ] - [ -0.2055917300000000, 0.0000000000000000, 0.0011862900000000 ] - [ -0.0040620200000000, -0.0001927600000000, 0.0000535600000000 ] - [ -0.0040620200000000, 0.0001927600000000, 0.0000535600000000 ] - [ 0.0119913200000000, 0.0000000000000000, -0.0222730400000000 ] - [ 0.0000538300000000, 0.0008844000000000, -0.0038424200000000 ] - [ 0.0000538300000000, -0.0008844000000000, -0.0038424200000000 ] - [ 0.0696543600000000, 0.0000000000000000, -0.0001188400000000 ] - [ 0.0082818300000000, 0.0003232700000000, 0.0000431100000000 ] - [ 0.0082818300000000, -0.0003232700000000, 0.0000431100000000 ] - [ 0.0109497300000000, 0.0000000000000000, 0.0245530900000000 ] - [ 0.0005546100000000, -0.0010543600000000, 0.0005642300000000 ] - [ 0.0005546100000000, 0.0010543600000000, 0.0005642300000000 ] - [ -0.0034015800000000, 0.0000000000000000, -0.0002820800000000 ] - [ 0.0012259800000000, 0.0001933600000000, 0.0000497300000000 ] - [ 0.0012259800000000, -0.0001933600000000, 0.0000497300000000 ] - [ 0.0132096200000000, 0.0000000000000000, 0.0242531200000000 ] - [ 0.0001492100000000, 0.0010826400000000, 0.0004049700000000 ] - [ 0.0001492100000000, -0.0010826400000000, 0.0004049700000000 ] - [ -0.0004183200000000, 0.0000000000000000, -0.0017055000000000 ] - [ -0.0004686300000000, -0.0000283600000000, -0.0018028600000000 ] - [ -0.0004686300000000, 0.0000283600000000, -0.0018028600000000 ] - [ 0.0021873200000000, 0.0000000000000000, 0.0005860000000000 ] - [ 0.0022931200000000, -0.0000041300000000, 0.0005775600000000 ] - [ 0.0022931200000000, 0.0000041300000000, 0.0005775600000000 ] - [ -0.0006748000000000, 0.0000000000000000, 0.0009282400000000 ] - [ -0.0005343200000000, 0.0001528700000000, -0.0005173300000000 ] - [ -0.0005343200000000, -0.0001528700000000, -0.0005173300000000 ] - [ 0.0085145000000000, 0.0000000000000000, 0.0007405900000000 ] - [ 0.0035327700000000, 0.0000331800000000, 0.0004784800000000 ] - [ 0.0035327700000000, -0.0000331800000000, 0.0004784800000000 ] - [ 0.0003913100000000, 0.0000000000000000, -0.0031021100000000 ] - [ 0.0001593400000000, -0.0001416700000000, -0.0019619600000000 ] - [ 0.0001593400000000, 0.0001416700000000, -0.0019619600000000 ] - [ 0.0024687500000000, 0.0000000000000000, -0.0002944200000000 ] - [ 0.0026977000000000, -0.0000055200000000, -0.0003192500000000 ] - [ 0.0026977000000000, 0.0000055200000000, -0.0003192500000000 ] - [ -0.0003405700000000, 0.0000000000000000, -0.0012990200000000 ] - [ -0.0002920500000000, 0.0000210700000000, -0.0013356800000000 ] - [ -0.0002920500000000, -0.0000210700000000, -0.0013356800000000 ] - [ -0.0038487800000000, 0.0000000000000000, -0.0004493700000000 ] - [ 0.0002665600000000, 0.0000425100000000, -0.0002271800000000 ] - [ 0.0002665600000000, -0.0000425100000000, -0.0002271800000000 ] - [ 0.0001069100000000, 0.0000000000000000, -0.0027348000000000 ] - [ 0.0003199500000000, 0.0001426000000000, -0.0010626600000000 ] - [ 0.0003199500000000, -0.0001426000000000, -0.0010626600000000 ] - [ 0.0028124000000000, 0.0000000000000000, -0.0001459100000000 ] - [ 0.0025705900000000, -0.0000037100000000, -0.0001413600000000 ] - [ 0.0025705900000000, 0.0000037100000000, -0.0001413600000000 ] - [ -0.0001729300000000, 0.0000000000000000, 0.0012412500000000 ] - [ -0.0001557900000000, -0.0001968300000000, -0.0013119900000000 ] - [ -0.0001557900000000, 0.0001968300000000, -0.0013119900000000 ] - [ 0.0027610500000000, 0.0000000000000000, 0.0002501300000000 ] - [ 0.0026359500000000, 0.0000083900000000, 0.0002382300000000 ] - [ 0.0026359500000000, -0.0000083900000000, 0.0002382300000000 ] - [ 0.0082790000000000, 0.0000000000000000, 0.0000934000000000 ] - [ 0.0034969900000000, -0.0000146500000000, 0.0002567800000000 ] - [ 0.0034969900000000, 0.0000146500000000, 0.0002567800000000 ] - [ 0.0056417400000000, 0.0015831400000000, -0.0044218800000000 ] - [ 0.0056417400000000, -0.0015831400000000, -0.0044218800000000 ] - [ 0.0056198000000000, 0.0000000000000000, -0.0038826800000000 ] - [ 0.0046664400000000, 0.0000857900000000, -0.0034424800000000 ] - [ 0.0046664400000000, -0.0000857900000000, -0.0034424800000000 ] - [ 0.0046613800000000, 0.0000000000000000, -0.0034356500000000 ] - [ 0.0185935800000000, -0.0243365900000000, -0.0011957800000000 ] - [ 0.0185935800000000, 0.0243365900000000, -0.0011957800000000 ] - [ 0.0048076500000000, 0.0000000000000000, -0.0024764400000000 ] - [ 0.0069568900000000, 0.0001628500000000, -0.0004693100000000 ] - [ 0.0069568900000000, -0.0001628500000000, -0.0004693100000000 ] - [ 0.0069494000000000, 0.0000000000000000, -0.0005277600000000 ] - [ 0.0046886600000000, -0.0016713200000000, -0.0032404900000000 ] - [ 0.0046886600000000, 0.0016713200000000, -0.0032404900000000 ] - [ 0.0046757900000000, 0.0000000000000000, -0.0039457900000000 ] - [ 0.0051818900000000, -0.0001000200000000, -0.0038678900000000 ] - [ 0.0051818900000000, 0.0001000200000000, -0.0038678900000000 ] - [ 0.0051885300000000, 0.0000000000000000, -0.0038903200000000 ] - [ 0.0068705800000000, -0.0000854700000000, 0.0042695300000000 ] - [ 0.0068705800000000, 0.0000854700000000, 0.0042695300000000 ] - [ 0.0068727900000000, 0.0000000000000000, 0.0043026000000000 ] - [ -0.0061474900000000, -0.0003577500000000, 0.0002125700000000 ] - [ -0.0061474900000000, 0.0003577500000000, 0.0002125700000000 ] - [ -0.0007798600000000, 0.0000000000000000, 0.0003194600000000 ] - [ 0.0082137000000000, 0.0024752400000000, -0.0019791300000000 ] - [ 0.0082137000000000, -0.0024752400000000, -0.0019791300000000 ] - [ 0.0007417800000000, 0.0000000000000000, 0.0003877000000000 ] - [ 0.0001423300000000, -0.0000656700000000, -0.0002027400000000 ] - [ 0.0001423300000000, 0.0000656700000000, -0.0002027400000000 ] - [ -0.0001032200000000, 0.0000000000000000, -0.0002163400000000 ] - [ -0.0053787200000000, 0.0001920100000000, 0.0001694300000000 ] - [ -0.0053787200000000, -0.0001920100000000, 0.0001694300000000 ] - [ -0.0009817300000000, 0.0000000000000000, -0.0000396200000000 ] - [ -0.0011087800000000, 0.0000864900000000, -0.0000918200000000 ] - [ -0.0011087800000000, -0.0000864900000000, -0.0000918200000000 ] - [ -0.0008724700000000, 0.0000000000000000, -0.0000244900000000 ] - [ 0.0002294000000000, -0.0000112600000000, -0.0000372200000000 ] - [ 0.0002294000000000, 0.0000112600000000, -0.0000372200000000 ] - [ 0.0002003000000000, 0.0000000000000000, -0.0000270200000000 ] - [ -0.0007664600000000, -0.0000020500000000, -0.0002224400000000 ] - [ -0.0007664600000000, 0.0000020500000000, -0.0002224400000000 ] - [ -0.0007332400000000, 0.0000000000000000, -0.0002156300000000 ] - [ -0.0094317400000000, 0.0000000000000000, -0.0025155700000000 ] - [ -0.0094634800000000, -0.0000598100000000, -0.0030255900000000 ] - [ -0.0094634800000000, 0.0000598100000000, -0.0030255900000000 ] - [ -0.0090370000000000, 0.0000000000000000, -0.0103276400000000 ] - [ -0.0108550200000000, 0.0013161900000000, 0.0035289200000000 ] - [ -0.0108550200000000, -0.0013161900000000, 0.0035289200000000 ] - [ -0.0023909500000000, 0.0000000000000000, 0.0224449000000000 ] - [ -0.0032591700000000, -0.0012062100000000, 0.0100805500000000 ] - [ -0.0032591700000000, 0.0012062100000000, 0.0100805500000000 ] - [ 0.0626602800000000, 0.0000000000000000, 0.0073177000000000 ] - [ -0.0050791400000000, 0.0136061000000000, 0.0050487700000000 ] - [ -0.0050791400000000, -0.0136061000000000, 0.0050487700000000 ] - [ -0.0069596800000000, 0.0000000000000000, -0.0077106000000000 ] - [ -0.0065552200000000, -0.0010475000000000, 0.0043593800000000 ] - [ -0.0065552200000000, 0.0010475000000000, 0.0043593800000000 ] - [ -0.0072286100000000, 0.0000000000000000, 0.0183158200000000 ] - [ -0.0072865500000000, 0.0008464100000000, 0.0062476400000000 ] - [ -0.0072865500000000, -0.0008464100000000, 0.0062476400000000 ] - [ -0.0410023900000000, 0.0000000000000000, -0.0012579100000000 ] - [ -0.0069526400000000, -0.0127602500000000, 0.0038420200000000 ] - [ -0.0069526400000000, 0.0127602500000000, 0.0038420200000000 ] - [ -0.0070146500000000, 0.0000000000000000, 0.0048566000000000 ] - [ -0.0069716100000000, 0.0000437700000000, 0.0046115400000000 ] - [ -0.0069716100000000, -0.0000437700000000, 0.0046115400000000 ] - [ -0.0088808100000000, 0.0000000000000000, 0.0012698700000000 ] - [ -0.0087856400000000, 0.0001076900000000, 0.0020082900000000 ] - [ -0.0087856400000000, -0.0001076900000000, 0.0020082900000000 ] - [ -0.0070191000000000, 0.0000000000000000, 0.0043522600000000 ] - [ -0.0070298800000000, -0.0000544800000000, 0.0047342500000000 ] - [ -0.0070298800000000, 0.0000544800000000, 0.0047342500000000 ]- atom: 22 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0045155400000000, -0.0014497400000000, -0.0013322600000000 ] - [ -0.0045155400000000, 0.0014497400000000, -0.0013322600000000 ] - [ -0.0009817700000000, 0.0000000000000000, 0.0000226600000000 ] - [ -0.0004386100000000, 0.0000246500000000, 0.0000736100000000 ] - [ -0.0004386100000000, -0.0000246500000000, 0.0000736100000000 ] - [ -0.0002991600000000, 0.0000000000000000, 0.0000706600000000 ] - [ 0.0001165600000000, 0.0000014500000000, 0.0003424900000000 ] - [ 0.0001165600000000, -0.0000014500000000, 0.0003424900000000 ] - [ -0.0000113800000000, 0.0000000000000000, 0.0003292000000000 ] - [ -0.0069095700000000, -0.0281306800000000, -0.0017814700000000 ] - [ -0.0069095700000000, 0.0281306800000000, -0.0017814700000000 ] - [ 0.0036111800000000, 0.0000000000000000, -0.0032964000000000 ] - [ 0.0095263100000000, -0.0018676900000000, -0.0047655000000000 ] - [ 0.0095263100000000, 0.0018676900000000, -0.0047655000000000 ] - [ 0.0095276800000000, 0.0000000000000000, -0.0038651700000000 ] - [ 0.0013383300000000, 0.0016248900000000, -0.0061080400000000 ] - [ 0.0013383300000000, -0.0016248900000000, -0.0061080400000000 ] - [ 0.0014231800000000, 0.0000000000000000, -0.0068318100000000 ] - [ -0.0100563100000000, 0.0000000000000000, 0.0253414300000000 ] - [ -0.0006089100000000, 0.0009830200000000, 0.0008741200000000 ] - [ -0.0006089100000000, -0.0009830200000000, 0.0008741200000000 ] - [ 0.2153050300000000, 0.0000000000000000, -0.0010548600000000 ] - [ 0.0079865200000000, 0.0001827400000000, 0.0004664200000000 ] - [ 0.0079865200000000, -0.0001827400000000, 0.0004664200000000 ] - [ -0.0125696500000000, 0.0000000000000000, 0.0179480700000000 ] - [ -0.0006979900000000, -0.0008779500000000, -0.0001301700000000 ] - [ -0.0006979900000000, 0.0008779500000000, -0.0001301700000000 ] - [ -0.0654236200000000, 0.0000000000000000, 0.0003030400000000 ] - [ -0.0043393900000000, -0.0003080200000000, 0.0000731800000000 ] - [ -0.0043393900000000, 0.0003080200000000, 0.0000731800000000 ] - [ -0.0109387100000000, 0.0000000000000000, -0.0274515200000000 ] - [ -0.0006444300000000, 0.0010528500000000, -0.0032142000000000 ] - [ -0.0006444300000000, -0.0010528500000000, -0.0032142000000000 ] - [ 0.0079332700000000, 0.0000000000000000, 0.0000827500000000 ] - [ 0.0033312600000000, -0.0002118700000000, -0.0002501400000000 ] - [ 0.0033312600000000, 0.0002118700000000, -0.0002501400000000 ] - [ -0.0125532000000000, 0.0000000000000000, -0.0263547500000000 ] - [ 0.0005169000000000, -0.0010879900000000, -0.0028394500000000 ] - [ 0.0005169000000000, 0.0010879900000000, -0.0028394500000000 ] - [ -0.0005920400000000, 0.0000000000000000, -0.0021946500000000 ] - [ -0.0005421000000000, 0.0000287500000000, -0.0020937600000000 ] - [ -0.0005421000000000, -0.0000287500000000, -0.0020937600000000 ] - [ 0.0027741300000000, 0.0000000000000000, 0.0004901400000000 ] - [ 0.0026696900000000, 0.0000042900000000, 0.0004985100000000 ] - [ 0.0026696900000000, -0.0000042900000000, 0.0004985100000000 ] - [ -0.0002816500000000, 0.0000000000000000, -0.0032300400000000 ] - [ -0.0004240800000000, -0.0001526300000000, -0.0017995300000000 ] - [ -0.0004240800000000, 0.0001526300000000, -0.0017995300000000 ] - [ -0.0032541900000000, 0.0000000000000000, 0.0001459900000000 ] - [ 0.0016821300000000, -0.0000326900000000, 0.0004076700000000 ] - [ 0.0016821300000000, 0.0000326900000000, 0.0004076700000000 ] - [ -0.0001226200000000, 0.0000000000000000, 0.0000748700000000 ] - [ 0.0001056200000000, 0.0001407200000000, -0.0010683000000000 ] - [ 0.0001056200000000, -0.0001407200000000, -0.0010683000000000 ] - [ 0.0034002300000000, 0.0000000000000000, -0.0004095600000000 ] - [ 0.0031714500000000, 0.0000058300000000, -0.0003833400000000 ] - [ 0.0031714500000000, -0.0000058300000000, -0.0003833400000000 ] - [ -0.0002228300000000, 0.0000000000000000, -0.0015391600000000 ] - [ -0.0002719600000000, -0.0000203600000000, -0.0015003200000000 ] - [ -0.0002719600000000, 0.0000203600000000, -0.0015003200000000 ] - [ 0.0066700100000000, 0.0000000000000000, 0.0001267500000000 ] - [ 0.0025596900000000, -0.0000471700000000, -0.0001319500000000 ] - [ 0.0025596900000000, 0.0000471700000000, -0.0001319500000000 ] - [ 0.0007242000000000, 0.0000000000000000, 0.0017911700000000 ] - [ 0.0005159300000000, -0.0001409100000000, 0.0001448900000000 ] - [ 0.0005159300000000, 0.0001409100000000, 0.0001448900000000 ] - [ 0.0018879400000000, 0.0000000000000000, -0.0001889400000000 ] - [ 0.0021274700000000, 0.0000042400000000, -0.0001920000000000 ] - [ 0.0021274700000000, -0.0000042400000000, -0.0001920000000000 ] - [ -0.0000699800000000, 0.0000000000000000, -0.0053829800000000 ] - [ -0.0000950500000000, 0.0001974600000000, -0.0028139000000000 ] - [ -0.0000950500000000, -0.0001974600000000, -0.0028139000000000 ] - [ 0.0021032900000000, 0.0000000000000000, 0.0001189300000000 ] - [ 0.0022251300000000, -0.0000080600000000, 0.0001312800000000 ] - [ 0.0022251300000000, 0.0000080600000000, 0.0001312800000000 ] - [ -0.0034165200000000, 0.0000000000000000, 0.0004081400000000 ] - [ 0.0013341300000000, 0.0000158400000000, 0.0002650700000000 ] - [ 0.0013341300000000, -0.0000158400000000, 0.0002650700000000 ] - [ 0.0054257800000000, -0.0015734800000000, -0.0025243000000000 ] - [ 0.0054257800000000, 0.0015734800000000, -0.0025243000000000 ] - [ 0.0054378300000000, 0.0000000000000000, -0.0030527400000000 ] - [ 0.0046332800000000, -0.0000856500000000, -0.0033742600000000 ] - [ 0.0046332800000000, 0.0000856500000000, -0.0033742600000000 ] - [ 0.0046382200000000, 0.0000000000000000, -0.0033809200000000 ] - [ -0.0086846900000000, 0.0239229700000000, -0.0039436300000000 ] - [ -0.0086846900000000, -0.0239229700000000, -0.0039436300000000 ] - [ 0.0050871400000000, 0.0000000000000000, -0.0026748300000000 ] - [ 0.0068885700000000, -0.0001656600000000, -0.0008771300000000 ] - [ 0.0068885700000000, 0.0001656600000000, -0.0008771300000000 ] - [ 0.0068958100000000, 0.0000000000000000, -0.0008183300000000 ] - [ 0.0047344700000000, 0.0016605500000000, -0.0054294200000000 ] - [ 0.0047344700000000, -0.0016605500000000, -0.0054294200000000 ] - [ 0.0047602000000000, 0.0000000000000000, -0.0047189300000000 ] - [ 0.0052215900000000, 0.0000981500000000, -0.0041331600000000 ] - [ 0.0052215900000000, -0.0000981500000000, -0.0041331600000000 ] - [ 0.0052151800000000, 0.0000000000000000, -0.0041105900000000 ] - [ 0.0068831300000000, 0.0000820800000000, 0.0044610400000000 ] - [ 0.0068831300000000, -0.0000820800000000, 0.0044610400000000 ] - [ 0.0068810100000000, 0.0000000000000000, 0.0044284500000000 ] - [ 0.0069817900000000, 0.0003989000000000, 0.0000294100000000 ] - [ 0.0069817900000000, -0.0003989000000000, 0.0000294100000000 ] - [ 0.0016364500000000, 0.0000000000000000, -0.0000982500000000 ] - [ -0.0087467500000000, -0.0026875500000000, 0.0023481900000000 ] - [ -0.0087467500000000, 0.0026875500000000, 0.0023481900000000 ] - [ -0.0013412700000000, 0.0000000000000000, -0.0002166500000000 ] - [ -0.0009310600000000, 0.0000643100000000, -0.0001248200000000 ] - [ -0.0009310600000000, -0.0000643100000000, -0.0001248200000000 ] - [ -0.0006871000000000, 0.0000000000000000, -0.0001155200000000 ] - [ 0.0052761900000000, -0.0001699600000000, -0.0001123100000000 ] - [ 0.0052761900000000, 0.0001699600000000, -0.0001123100000000 ] - [ 0.0009049700000000, 0.0000000000000000, 0.0001241100000000 ] - [ -0.0000571700000000, -0.0000853100000000, 0.0001754100000000 ] - [ -0.0000571700000000, 0.0000853100000000, 0.0001754100000000 ] - [ -0.0002929000000000, 0.0000000000000000, 0.0001049400000000 ] - [ -0.0000485700000000, 0.0000121100000000, 0.0000989500000000 ] - [ -0.0000485700000000, -0.0000121100000000, 0.0000989500000000 ] - [ -0.0000195100000000, 0.0000000000000000, 0.0000883400000000 ] - [ -0.0004493200000000, 0.0000034400000000, -0.0000987000000000 ] - [ -0.0004493200000000, -0.0000034400000000, -0.0000987000000000 ] - [ -0.0004818400000000, 0.0000000000000000, -0.0001049700000000 ] - [ -0.0094455600000000, 0.0000000000000000, -0.0040814400000000 ] - [ -0.0094116000000000, 0.0000573200000000, -0.0035814300000000 ] - [ -0.0094116000000000, -0.0000573200000000, -0.0035814300000000 ] - [ -0.0134091900000000, 0.0000000000000000, 0.0207083700000000 ] - [ -0.0115180700000000, -0.0013146400000000, 0.0068371300000000 ] - [ -0.0115180700000000, 0.0013146400000000, 0.0068371300000000 ] - [ -0.0044571200000000, 0.0000000000000000, -0.0053191200000000 ] - [ -0.0036544700000000, 0.0011984300000000, 0.0069177700000000 ] - [ -0.0036544700000000, -0.0011984300000000, 0.0069177700000000 ] - [ -0.0841982500000000, 0.0000000000000000, 0.0026642700000000 ] - [ -0.0068939100000000, -0.0135798200000000, 0.0047661100000000 ] - [ -0.0068939100000000, 0.0135798200000000, 0.0047661100000000 ] - [ -0.0058303700000000, 0.0000000000000000, 0.0191442000000000 ] - [ -0.0062215800000000, 0.0010495100000000, 0.0071612500000000 ] - [ -0.0062215800000000, -0.0010495100000000, 0.0071612500000000 ] - [ -0.0078418000000000, 0.0000000000000000, -0.0086911800000000 ] - [ -0.0077758600000000, -0.0008336000000000, 0.0033054600000000 ] - [ -0.0077758600000000, 0.0008336000000000, 0.0033054600000000 ] - [ 0.0301591900000000, 0.0000000000000000, 0.0085704200000000 ] - [ -0.0065503700000000, 0.0126414300000000, 0.0034163000000000 ] - [ -0.0065503700000000, -0.0126414300000000, 0.0034163000000000 ] - [ -0.0068985300000000, 0.0000000000000000, 0.0041186400000000 ] - [ -0.0069393800000000, -0.0000448000000000, 0.0043611100000000 ] - [ -0.0069393800000000, 0.0000448000000000, 0.0043611100000000 ] - [ -0.0086440300000000, 0.0000000000000000, 0.0037468000000000 ] - [ -0.0087375200000000, -0.0001094400000000, 0.0030042300000000 ] - [ -0.0087375200000000, 0.0001094400000000, 0.0030042300000000 ] - [ -0.0069825600000000, 0.0000000000000000, 0.0059594300000000 ] - [ -0.0069702300000000, 0.0000539800000000, 0.0055796600000000 ] - [ -0.0069702300000000, -0.0000539800000000, 0.0055796600000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002541000000000, -0.0002507000000000, -0.0025779900000000 ] - [ -0.0008064300000000, -0.0001590800000000, 0.0023773600000000 ] - [ -0.0005350800000000, -0.0007034300000000, -0.0000648300000000 ] - [ -0.0001295200000000, 0.0000691400000000, -0.0000157700000000 ] - [ -0.0001347600000000, 0.0000712100000000, 0.0001339300000000 ] - [ -0.0001324500000000, -0.0001397900000000, 0.0000595000000000 ] - [ -0.0001585800000000, 0.0000661400000000, 0.0002382600000000 ] - [ -0.0001547000000000, 0.0000683800000000, 0.0003843200000000 ] - [ -0.0001565800000000, -0.0001327900000000, 0.0003119900000000 ] - [ 0.0181167500000000, 0.0103395300000000, -0.0044522400000000 ] - [ -0.0093238900000000, 0.0103770300000000, -0.0029428900000000 ] - [ 0.0044888900000000, 0.0050828400000000, -0.0037006400000000 ] - [ 0.0096391700000000, -0.0006048100000000, -0.0030772500000000 ] - [ 0.0096319700000000, -0.0006232000000000, -0.0038092500000000 ] - [ 0.0096365400000000, 0.0012389200000000, -0.0034458400000000 ] - [ 0.0013189100000000, -0.0006411700000000, -0.0068614400000000 ] - [ 0.0014410300000000, -0.0006561800000000, -0.0075693100000000 ] - [ 0.0013790200000000, 0.0012758600000000, -0.0072167000000000 ] - [ -0.0006226200000000, -0.0042081700000000, -0.0013740000000000 ] - [ -0.0009631000000000, 0.0011559400000000, 0.0003260500000000 ] - [ -0.0003350200000000, 0.0011579400000000, -0.0029209200000000 ] - [ 0.0017670600000000, -0.0528268800000000, 0.0002245200000000 ] - [ 0.0021550500000000, 0.0022318900000000, 0.0002665900000000 ] - [ 0.0017809500000000, 0.0022281200000000, 0.0002444900000000 ] - [ -0.0003310100000000, -0.0033245700000000, -0.0019480800000000 ] - [ -0.0001454800000000, 0.0007895100000000, -0.0036530600000000 ] - [ -0.0004907600000000, 0.0007922500000000, -0.0003210500000000 ] - [ 0.0019608600000000, 0.0011382300000000, 0.0000427600000000 ] - [ 0.0019503400000000, 0.0029855800000000, 0.0002115500000000 ] - [ 0.0019561800000000, 0.0029709400000000, -0.0001002400000000 ] - [ -0.0000303100000000, -0.0036386000000000, -0.0012742000000000 ] - [ -0.0002641400000000, 0.0008483900000000, -0.0030677800000000 ] - [ 0.0001629400000000, 0.0008537800000000, 0.0004001000000000 ] - [ 0.0022736800000000, -0.0011300500000000, -0.0000962700000000 ] - [ 0.0021622800000000, 0.0008256900000000, 0.0008344800000000 ] - [ 0.0023922900000000, 0.0008192800000000, -0.0010072600000000 ] - [ 0.0003239800000000, -0.0042290200000000, -0.0012826600000000 ] - [ 0.0007623600000000, 0.0011633800000000, 0.0003458900000000 ] - [ -0.0000705100000000, 0.0011623900000000, -0.0027995400000000 ] - [ -0.0005051700000000, -0.0000582300000000, -0.0019451400000000 ] - [ -0.0005165200000000, 0.0000311200000000, -0.0019291700000000 ] - [ -0.0004941400000000, 0.0000319300000000, -0.0019598100000000 ] - [ 0.0024810300000000, -0.0000707500000000, 0.0005389000000000 ] - [ 0.0024943000000000, 0.0000357500000000, 0.0006032100000000 ] - [ 0.0024698700000000, 0.0000368200000000, 0.0004766800000000 ] - [ -0.0004778100000000, -0.0002885000000000, -0.0011617600000000 ] - [ -0.0004535800000000, 0.0001199300000000, -0.0006170600000000 ] - [ -0.0005015100000000, 0.0001221100000000, -0.0016900400000000 ] - [ 0.0026085700000000, -0.0004704900000000, 0.0004333000000000 ] - [ 0.0026351500000000, 0.0002840900000000, 0.0008067300000000 ] - [ 0.0025772300000000, 0.0002877800000000, 0.0000797500000000 ] - [ 0.0001313900000000, -0.0002542200000000, -0.0015163600000000 ] - [ 0.0000891000000000, 0.0001182700000000, -0.0009424600000000 ] - [ 0.0001737600000000, 0.0001202900000000, -0.0020720600000000 ] - [ 0.0029346400000000, -0.0000460300000000, -0.0003493700000000 ] - [ 0.0029350800000000, 0.0000209500000000, -0.0004156500000000 ] - [ 0.0029345600000000, 0.0000216300000000, -0.0002852900000000 ] - [ -0.0002818900000000, -0.0000624800000000, -0.0014147400000000 ] - [ -0.0002813900000000, 0.0000280000000000, -0.0014154400000000 ] - [ -0.0002821600000000, 0.0000285900000000, -0.0014133200000000 ] - [ 0.0014127400000000, -0.0007697100000000, -0.0001812200000000 ] - [ 0.0013769700000000, 0.0002957000000000, -0.0006827100000000 ] - [ 0.0014524100000000, 0.0002963200000000, 0.0003133600000000 ] - [ 0.0004191900000000, -0.0001681900000000, -0.0004489500000000 ] - [ 0.0004043900000000, 0.0000796000000000, -0.0009679500000000 ] - [ 0.0004325800000000, 0.0000808800000000, 0.0000544700000000 ] - [ 0.0023496900000000, -0.0000429500000000, -0.0001649800000000 ] - [ 0.0023509300000000, 0.0000216900000000, -0.0002292200000000 ] - [ 0.0023482400000000, 0.0000222400000000, -0.0001028600000000 ] - [ -0.0001262600000000, -0.0001375900000000, -0.0020523800000000 ] - [ -0.0001293000000000, 0.0000885100000000, -0.0026337000000000 ] - [ -0.0001218700000000, 0.0000903000000000, -0.0014948800000000 ] - [ 0.0024311700000000, -0.0000804500000000, 0.0001853300000000 ] - [ 0.0024357300000000, 0.0000401700000000, 0.0002576400000000 ] - [ 0.0024250000000000, 0.0000409600000000, 0.0001152500000000 ] - [ 0.0024162100000000, -0.0002608100000000, 0.0002678500000000 ] - [ 0.0024181700000000, 0.0001704500000000, -0.0000624600000000 ] - [ 0.0024102000000000, 0.0001731900000000, 0.0005829400000000 ] - [ 0.0057786400000000, -0.0007382400000000, -0.0040111600000000 ] - [ 0.0052706200000000, -0.0007574000000000, -0.0029235800000000 ] - [ 0.0055266100000000, 0.0014717000000000, -0.0034662500000000 ] - [ 0.0046449700000000, -0.0001218100000000, -0.0034497200000000 ] - [ 0.0046546800000000, -0.0001261300000000, -0.0033638200000000 ] - [ 0.0046497800000000, 0.0002489300000000, -0.0034064100000000 ] - [ -0.0079583600000000, 0.0091470500000000, -0.0033978000000000 ] - [ 0.0180672200000000, 0.0092328300000000, -0.0017513800000000 ] - [ 0.0049508100000000, 0.0051354200000000, -0.0025799300000000 ] - [ 0.0069223500000000, -0.0001120700000000, -0.0006462500000000 ] - [ 0.0069234700000000, -0.0001151600000000, -0.0006973900000000 ] - [ 0.0069228200000000, 0.0002317900000000, -0.0006721900000000 ] - [ 0.0043435000000000, -0.0007218700000000, -0.0049207100000000 ] - [ 0.0051015700000000, -0.0007390600000000, -0.0037434200000000 ] - [ 0.0047201000000000, 0.0013987800000000, -0.0043323000000000 ] - [ 0.0051994700000000, -0.0001269600000000, -0.0040390000000000 ] - [ 0.0052047900000000, -0.0001300200000000, -0.0039599700000000 ] - [ 0.0052022700000000, 0.0002507400000000, -0.0039989800000000 ] - [ 0.0068739200000000, -0.0001126100000000, 0.0043868600000000 ] - [ 0.0068799600000000, -0.0001154200000000, 0.0043467700000000 ] - [ 0.0068770000000000, 0.0002246000000000, 0.0043665700000000 ] - [ 0.0002250700000000, 0.0008734600000000, -0.0017458400000000 ] - [ 0.0006294100000000, 0.0009088600000000, 0.0019621600000000 ] - [ 0.0004306200000000, -0.0014615000000000, 0.0001130800000000 ] - [ 0.0001659100000000, -0.0003591600000000, 0.0050038800000000 ] - [ -0.0007606100000000, -0.0002195300000000, -0.0047147300000000 ] - [ -0.0003019300000000, -0.0016841700000000, 0.0000867700000000 ] - [ -0.0003950200000000, 0.0002146600000000, 0.0001412200000000 ] - [ -0.0003956600000000, 0.0002204400000000, -0.0004818400000000 ] - [ -0.0003958100000000, -0.0004401300000000, -0.0001712800000000 ] - [ -0.0002318500000000, 0.0009171200000000, 0.0020001700000000 ] - [ 0.0001538700000000, 0.0009526100000000, -0.0019001600000000 ] - [ -0.0000364700000000, -0.0015387500000000, 0.0000442100000000 ] - [ -0.0005815300000000, 0.0001580600000000, 0.0002677500000000 ] - [ -0.0005818400000000, 0.0001630500000000, -0.0001876900000000 ] - [ -0.0005817300000000, -0.0003267700000000, 0.0000374200000000 ] - [ 0.0000900000000000, 0.0000523000000000, 0.0000362100000000 ] - [ 0.0000901100000000, 0.0000540000000000, 0.0000216000000000 ] - [ 0.0000901600000000, -0.0001055600000000, 0.0000288800000000 ] - [ -0.0006074100000000, 0.0000531600000000, -0.0001557700000000 ] - [ -0.0006073700000000, 0.0000544200000000, -0.0001698300000000 ] - [ -0.0006072200000000, -0.0001071300000000, -0.0001624100000000 ] - [ -0.0094366300000000, 0.0002034900000000, -0.0033116500000000 ] - [ -0.0094623500000000, -0.0000968600000000, -0.0030181100000000 ] - [ -0.0094118200000000, -0.0000996600000000, -0.0035968300000000 ] - [ -0.0111738500000000, 0.0015770000000000, 0.0051531600000000 ] - [ -0.0110706600000000, -0.0007951500000000, 0.0069402000000000 ] - [ -0.0112900900000000, -0.0008088500000000, 0.0034429200000000 ] - [ -0.0034685500000000, 0.0016821000000000, 0.0084747800000000 ] - [ -0.0035024400000000, -0.0008166700000000, 0.0101811500000000 ] - [ -0.0034238300000000, -0.0008277200000000, 0.0068202400000000 ] - [ -0.0056619700000000, 0.0221955300000000, 0.0049186200000000 ] - [ -0.0062152900000000, -0.0096244000000000, 0.0053352200000000 ] - [ -0.0057242600000000, -0.0096131300000000, 0.0045062300000000 ] - [ -0.0063989600000000, 0.0018426800000000, 0.0057870500000000 ] - [ -0.0068455600000000, -0.0008898800000000, 0.0040572500000000 ] - [ -0.0059517100000000, -0.0008962500000000, 0.0074528600000000 ] - [ -0.0075147300000000, 0.0018332700000000, 0.0048088700000000 ] - [ -0.0070117600000000, -0.0008783200000000, 0.0030662800000000 ] - [ -0.0080248300000000, -0.0008902700000000, 0.0064704200000000 ] - [ -0.0069121500000000, 0.0165764600000000, 0.0036436700000000 ] - [ -0.0072572500000000, -0.0089687700000000, 0.0038922900000000 ] - [ -0.0062753300000000, -0.0089304700000000, 0.0033897700000000 ] - [ -0.0069560000000000, 0.0002115000000000, 0.0044847200000000 ] - [ -0.0069652100000000, -0.0001065700000000, 0.0041585400000000 ] - [ -0.0069456600000000, -0.0001088700000000, 0.0047981200000000 ] - [ -0.0087621800000000, 0.0001833500000000, 0.0024986200000000 ] - [ -0.0087402800000000, -0.0000924500000000, 0.0027771300000000 ] - [ -0.0087825500000000, -0.0000956600000000, 0.0022309500000000 ] - [ -0.0069992800000000, 0.0002196300000000, 0.0051541300000000 ] - [ -0.0070068300000000, -0.0001034800000000, 0.0048502400000000 ] - [ -0.0069928000000000, -0.0001068700000000, 0.0054504200000000 ]- atom: 22 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0001948800000000, -0.0029687900000000, -0.0000779200000000 ] - [ -0.0001948800000000, 0.0029687900000000, -0.0000779200000000 ] - [ -0.0005305500000000, 0.0000000000000000, 0.0002587700000000 ] - [ -0.0001109500000000, -0.0002695200000000, -0.0003868700000000 ] - [ -0.0001109500000000, 0.0002695200000000, -0.0003868700000000 ] - [ -0.0001230900000000, 0.0000000000000000, -0.0001643400000000 ] - [ -0.0001718800000000, -0.0002581400000000, -0.0001295500000000 ] - [ -0.0001718800000000, 0.0002581400000000, -0.0001295500000000 ] - [ -0.0001654700000000, 0.0000000000000000, 0.0000755900000000 ] - [ 0.0046126500000000, 0.0016031300000000, -0.0086858600000000 ] - [ 0.0046126500000000, -0.0016031300000000, -0.0086858600000000 ] - [ 0.0044149000000000, 0.0000000000000000, -0.0044434700000000 ] - [ 0.0097878600000000, 0.0019911500000000, -0.0029719300000000 ] - [ 0.0097878600000000, -0.0019911500000000, -0.0029719300000000 ] - [ 0.0097238100000000, 0.0000000000000000, -0.0035168200000000 ] - [ 0.0011891600000000, 0.0020100600000000, -0.0067446500000000 ] - [ 0.0011891600000000, -0.0020100600000000, -0.0067446500000000 ] - [ 0.0013364400000000, 0.0000000000000000, -0.0072922900000000 ] - [ -0.0141436100000000, 0.0000000000000000, 0.0088639100000000 ] - [ -0.0010222000000000, 0.0004528800000000, -0.0031478800000000 ] - [ -0.0010222000000000, -0.0004528800000000, -0.0031478800000000 ] - [ 0.0030495300000000, 0.0000000000000000, -0.0473488300000000 ] - [ 0.0017641100000000, -0.0000135900000000, -0.0009875200000000 ] - [ 0.0017641100000000, 0.0000135900000000, -0.0009875200000000 ] - [ -0.0091300700000000, 0.0000000000000000, 0.0028993800000000 ] - [ -0.0003064200000000, -0.0004013200000000, -0.0034282600000000 ] - [ -0.0003064200000000, 0.0004013200000000, -0.0034282600000000 ] - [ 0.0033572500000000, 0.0000000000000000, 0.0009614400000000 ] - [ 0.0020135400000000, -0.0001965700000000, -0.0007192600000000 ] - [ 0.0020135400000000, 0.0001965700000000, -0.0007192600000000 ] - [ 0.0093483200000000, 0.0000000000000000, 0.0035354700000000 ] - [ -0.0001437900000000, -0.0004345700000000, -0.0026508300000000 ] - [ -0.0001437900000000, 0.0004345700000000, -0.0026508300000000 ] - [ 0.0026766400000000, 0.0000000000000000, 0.0015744200000000 ] - [ 0.0021265100000000, 0.0008783700000000, 0.0003774000000000 ] - [ 0.0021265100000000, -0.0008783700000000, 0.0003774000000000 ] - [ 0.0141952100000000, 0.0000000000000000, 0.0085474300000000 ] - [ 0.0008735900000000, 0.0005741100000000, -0.0030470900000000 ] - [ 0.0008735900000000, -0.0005741100000000, -0.0030470900000000 ] - [ -0.0004720600000000, 0.0000000000000000, 0.0000072700000000 ] - [ -0.0004910300000000, -0.0000066000000000, -0.0006592300000000 ] - [ -0.0004910300000000, 0.0000066000000000, -0.0006592300000000 ] - [ 0.0024998800000000, 0.0000000000000000, 0.0012626700000000 ] - [ 0.0024795400000000, 0.0000594900000000, 0.0009773300000000 ] - [ 0.0024795400000000, -0.0000594900000000, 0.0009773300000000 ] - [ -0.0003027600000000, 0.0000000000000000, 0.0017155900000000 ] - [ -0.0004015800000000, 0.0002237000000000, -0.0003005000000000 ] - [ -0.0004015800000000, -0.0002237000000000, -0.0003005000000000 ] - [ 0.0027116600000000, 0.0000000000000000, 0.0024897300000000 ] - [ 0.0026357000000000, 0.0003358000000000, 0.0003799000000000 ] - [ 0.0026357000000000, -0.0003358000000000, 0.0003799000000000 ] - [ 0.0001672200000000, 0.0000000000000000, 0.0010228500000000 ] - [ 0.0001067100000000, 0.0002181100000000, -0.0006267700000000 ] - [ 0.0001067100000000, -0.0002181100000000, -0.0006267700000000 ] - [ 0.0029231700000000, 0.0000000000000000, 0.0004434700000000 ] - [ 0.0029418000000000, -0.0000441300000000, 0.0000720300000000 ] - [ 0.0029418000000000, 0.0000441300000000, 0.0000720300000000 ] - [ -0.0002801300000000, 0.0000000000000000, 0.0006045800000000 ] - [ -0.0002874400000000, -0.0000051100000000, -0.0001209300000000 ] - [ -0.0002874400000000, 0.0000051100000000, -0.0001209300000000 ] - [ 0.0017759200000000, 0.0000000000000000, 0.0023625300000000 ] - [ 0.0014341400000000, -0.0004634900000000, -0.0000478600000000 ] - [ 0.0014341400000000, 0.0004634900000000, -0.0000478600000000 ] - [ 0.0002870900000000, 0.0000000000000000, 0.0027885100000000 ] - [ 0.0003478200000000, -0.0001779600000000, 0.0007146000000000 ] - [ 0.0003478200000000, 0.0001779600000000, 0.0007146000000000 ] - [ 0.0023758000000000, 0.0000000000000000, 0.0005716800000000 ] - [ 0.0023549500000000, -0.0000547800000000, 0.0002068100000000 ] - [ 0.0023549500000000, 0.0000547800000000, 0.0002068100000000 ] - [ -0.0001983200000000, 0.0000000000000000, 0.0014752000000000 ] - [ -0.0001251000000000, -0.0001995600000000, -0.0009372600000000 ] - [ -0.0001251000000000, 0.0001995600000000, -0.0009372600000000 ] - [ 0.0025347500000000, 0.0000000000000000, 0.0009177200000000 ] - [ 0.0024604600000000, 0.0000798600000000, 0.0006166000000000 ] - [ 0.0024604600000000, -0.0000798600000000, 0.0006166000000000 ] - [ 0.0023181400000000, 0.0000000000000000, 0.0021102900000000 ] - [ 0.0024200800000000, -0.0003574900000000, 0.0002634900000000 ] - [ 0.0024200800000000, 0.0003574900000000, 0.0002634900000000 ] - [ 0.0052316300000000, -0.0018196700000000, -0.0029121300000000 ] - [ 0.0052316300000000, 0.0018196700000000, -0.0029121300000000 ] - [ 0.0054188900000000, 0.0000000000000000, -0.0035585800000000 ] - [ 0.0046468100000000, -0.0002467100000000, -0.0028324100000000 ] - [ 0.0046468100000000, 0.0002467100000000, -0.0028324100000000 ] - [ 0.0046372000000000, 0.0000000000000000, -0.0029717600000000 ] - [ 0.0050723000000000, 0.0005527100000000, -0.0072945300000000 ] - [ 0.0050723000000000, -0.0005527100000000, -0.0072945300000000 ] - [ 0.0050184100000000, 0.0000000000000000, -0.0034005600000000 ] - [ 0.0069471600000000, 0.0003069000000000, -0.0000895700000000 ] - [ 0.0069471600000000, -0.0003069000000000, -0.0000895700000000 ] - [ 0.0069459900000000, 0.0000000000000000, -0.0002341100000000 ] - [ 0.0050447300000000, -0.0018111700000000, -0.0037452800000000 ] - [ 0.0050447300000000, 0.0018111700000000, -0.0037452800000000 ] - [ 0.0047588600000000, 0.0000000000000000, -0.0044050800000000 ] - [ 0.0052098500000000, -0.0002772200000000, -0.0034338600000000 ] - [ 0.0052098500000000, 0.0002772200000000, -0.0034338600000000 ] - [ 0.0052070800000000, 0.0000000000000000, -0.0035745200000000 ] - [ 0.0068551500000000, 0.0003014400000000, 0.0048875000000000 ] - [ 0.0068551500000000, -0.0003014400000000, 0.0048875000000000 ] - [ 0.0068651600000000, 0.0000000000000000, 0.0047706700000000 ] - [ 0.0001982000000000, -0.0019885700000000, 0.0011599600000000 ] - [ 0.0001982000000000, 0.0019885700000000, 0.0011599600000000 ] - [ 0.0004121600000000, 0.0000000000000000, 0.0006852200000000 ] - [ -0.0006236900000000, 0.0044390500000000, 0.0012563800000000 ] - [ -0.0006236900000000, -0.0044390500000000, 0.0012563800000000 ] - [ -0.0002795200000000, 0.0000000000000000, 0.0009490400000000 ] - [ -0.0003881200000000, 0.0004973800000000, -0.0010750700000000 ] - [ -0.0003881200000000, -0.0004973800000000, -0.0010750700000000 ] - [ -0.0004027100000000, 0.0000000000000000, -0.0005983200000000 ] - [ 0.0000434600000000, 0.0015517300000000, 0.0019863700000000 ] - [ 0.0000434600000000, -0.0015517300000000, 0.0019863700000000 ] - [ -0.0000492500000000, 0.0000000000000000, 0.0008874300000000 ] - [ -0.0006019600000000, 0.0005156500000000, -0.0007698800000000 ] - [ -0.0006019600000000, -0.0005156500000000, -0.0007698800000000 ] - [ -0.0005862100000000, 0.0000000000000000, -0.0002998000000000 ] - [ 0.0000963200000000, -0.0000139300000000, -0.0007368800000000 ] - [ 0.0000963200000000, 0.0000139300000000, -0.0007368800000000 ] - [ 0.0000947900000000, 0.0000000000000000, -0.0005769600000000 ] - [ -0.0006164500000000, -0.0000068000000000, -0.0008646500000000 ] - [ -0.0006164500000000, 0.0000068000000000, -0.0008646500000000 ] - [ -0.0006143700000000, 0.0000000000000000, -0.0007165300000000 ] - [ -0.0091578900000000, 0.0000000000000000, -0.0067021600000000 ] - [ -0.0092986300000000, 0.0002590200000000, -0.0051430800000000 ] - [ -0.0092986300000000, -0.0002590200000000, -0.0051430800000000 ] - [ -0.0117982400000000, 0.0000000000000000, -0.0024610700000000 ] - [ -0.0113741800000000, 0.0017806300000000, 0.0050051300000000 ] - [ -0.0113741800000000, -0.0017806300000000, 0.0050051300000000 ] - [ -0.0026662500000000, 0.0000000000000000, 0.0012413800000000 ] - [ -0.0032549300000000, 0.0018247500000000, 0.0084024900000000 ] - [ -0.0032549300000000, -0.0018247500000000, 0.0084024900000000 ] - [ -0.0118732000000000, 0.0000000000000000, 0.0290603800000000 ] - [ -0.0055664800000000, 0.0011317200000000, 0.0075874700000000 ] - [ -0.0055664800000000, -0.0011317200000000, 0.0075874700000000 ] - [ -0.0070792700000000, 0.0000000000000000, -0.0011007200000000 ] - [ -0.0067463500000000, -0.0014878600000000, 0.0060740200000000 ] - [ -0.0067463500000000, 0.0014878600000000, 0.0060740200000000 ] - [ -0.0079219500000000, 0.0000000000000000, -0.0026326000000000 ] - [ -0.0070327000000000, -0.0014541500000000, 0.0051812600000000 ] - [ -0.0070327000000000, 0.0014541500000000, 0.0051812600000000 ] - [ -0.0048340000000000, 0.0000000000000000, 0.0211533200000000 ] - [ -0.0069403800000000, 0.0005799100000000, 0.0064965700000000 ] - [ -0.0069403800000000, -0.0005799100000000, 0.0064965700000000 ] - [ -0.0069951600000000, 0.0000000000000000, 0.0017706300000000 ] - [ -0.0069488800000000, -0.0002044800000000, 0.0029904200000000 ] - [ -0.0069488800000000, 0.0002044800000000, 0.0029904200000000 ] - [ -0.0089573900000000, 0.0000000000000000, -0.0006963200000000 ] - [ -0.0088463500000000, 0.0002415500000000, 0.0008593000000000 ] - [ -0.0088463500000000, -0.0002415500000000, 0.0008593000000000 ] - [ -0.0071568400000000, 0.0000000000000000, 0.0024037300000000 ] - [ -0.0070678900000000, -0.0002193800000000, 0.0037147300000000 ] - [ -0.0070678900000000, 0.0002193800000000, 0.0037147300000000 ]- atom: 22 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0008674000000000, 0.0029093100000000, -0.0001242500000000 ] - [ -0.0008674000000000, -0.0029093100000000, -0.0001242500000000 ] - [ -0.0005393400000000, 0.0000000000000000, -0.0003951400000000 ] - [ -0.0001543700000000, 0.0002717500000000, 0.0005041600000000 ] - [ -0.0001543700000000, -0.0002717500000000, 0.0005041600000000 ] - [ -0.0001420200000000, 0.0000000000000000, 0.0002798600000000 ] - [ -0.0001402100000000, 0.0002605400000000, 0.0007491400000000 ] - [ -0.0001402100000000, -0.0002605400000000, 0.0007491400000000 ] - [ -0.0001463100000000, 0.0000000000000000, 0.0005432200000000 ] - [ 0.0044194500000000, -0.0014754700000000, 0.0012779500000000 ] - [ 0.0044194500000000, 0.0014754700000000, 0.0012779500000000 ] - [ 0.0045594900000000, 0.0000000000000000, -0.0029599200000000 ] - [ 0.0094819700000000, -0.0020004400000000, -0.0039119700000000 ] - [ 0.0094819700000000, 0.0020004400000000, -0.0039119700000000 ] - [ 0.0095476900000000, 0.0000000000000000, -0.0033677100000000 ] - [ 0.0015722300000000, -0.0020236700000000, -0.0076833000000000 ] - [ 0.0015722300000000, 0.0020236700000000, -0.0076833000000000 ] - [ 0.0014227600000000, 0.0000000000000000, -0.0071339300000000 ] - [ 0.0126361300000000, 0.0000000000000000, -0.0113894500000000 ] - [ -0.0002774100000000, -0.0004513200000000, 0.0005203300000000 ] - [ -0.0002774100000000, 0.0004513200000000, 0.0005203300000000 ] - [ 0.0004458200000000, 0.0000000000000000, 0.0477509900000000 ] - [ 0.0021658900000000, 0.0000084000000000, 0.0014949500000000 ] - [ 0.0021658900000000, -0.0000084000000000, 0.0014949500000000 ] - [ 0.0086286000000000, 0.0000000000000000, -0.0068943000000000 ] - [ -0.0003294300000000, 0.0004015200000000, -0.0005112100000000 ] - [ -0.0003294300000000, -0.0004015200000000, -0.0005112100000000 ] - [ 0.0005648400000000, 0.0000000000000000, -0.0008824700000000 ] - [ 0.0018868800000000, 0.0001800100000000, 0.0008254000000000 ] - [ 0.0018868800000000, -0.0001800100000000, 0.0008254000000000 ] - [ -0.0095538600000000, 0.0000000000000000, -0.0061840700000000 ] - [ 0.0000429100000000, 0.0004324700000000, 0.0000158700000000 ] - [ 0.0000429100000000, -0.0004324700000000, 0.0000158700000000 ] - [ 0.0018805300000000, 0.0000000000000000, -0.0017582700000000 ] - [ 0.0024288100000000, -0.0008685300000000, -0.0005576800000000 ] - [ 0.0024288100000000, 0.0008685300000000, -0.0005576800000000 ] - [ -0.0132557100000000, 0.0000000000000000, -0.0108879100000000 ] - [ -0.0001791700000000, -0.0005689700000000, 0.0005578300000000 ] - [ -0.0001791700000000, 0.0005689700000000, 0.0005578300000000 ] - [ -0.0005378200000000, 0.0000000000000000, -0.0038976700000000 ] - [ -0.0005194300000000, 0.0000073800000000, -0.0032298400000000 ] - [ -0.0005194300000000, -0.0000073800000000, -0.0032298400000000 ] - [ 0.0024633500000000, 0.0000000000000000, -0.0001824200000000 ] - [ 0.0024846800000000, -0.0000587500000000, 0.0001012200000000 ] - [ 0.0024846800000000, 0.0000587500000000, 0.0001012200000000 ] - [ -0.0006492100000000, 0.0000000000000000, -0.0040124500000000 ] - [ -0.0005535800000000, -0.0002221500000000, -0.0020161600000000 ] - [ -0.0005535800000000, 0.0002221500000000, -0.0020161600000000 ] - [ 0.0025104200000000, 0.0000000000000000, -0.0015902400000000 ] - [ 0.0025763800000000, -0.0003342300000000, 0.0004985700000000 ] - [ 0.0025763800000000, 0.0003342300000000, 0.0004985700000000 ] - [ 0.0000969200000000, 0.0000000000000000, -0.0040381800000000 ] - [ 0.0001564000000000, -0.0002165200000000, -0.0023975300000000 ] - [ 0.0001564000000000, 0.0002165200000000, -0.0023975300000000 ] - [ 0.0029487700000000, 0.0000000000000000, -0.0011455300000000 ] - [ 0.0029292700000000, 0.0000447400000000, -0.0007718600000000 ] - [ 0.0029292700000000, -0.0000447400000000, -0.0007718600000000 ] - [ -0.0002825900000000, 0.0000000000000000, -0.0034343400000000 ] - [ -0.0002761600000000, 0.0000061100000000, -0.0027076700000000 ] - [ -0.0002761600000000, -0.0000061100000000, -0.0027076700000000 ] - [ 0.0010469500000000, 0.0000000000000000, -0.0027596800000000 ] - [ 0.0013959100000000, 0.0004666800000000, -0.0003149000000000 ] - [ 0.0013959100000000, -0.0004666800000000, -0.0003149000000000 ] - [ 0.0005546600000000, 0.0000000000000000, -0.0037068100000000 ] - [ 0.0004899000000000, 0.0001792500000000, -0.0016166400000000 ] - [ 0.0004899000000000, -0.0001792500000000, -0.0016166400000000 ] - [ 0.0023222700000000, 0.0000000000000000, -0.0009050600000000 ] - [ 0.0023426100000000, 0.0000555300000000, -0.0005375400000000 ] - [ 0.0023426100000000, -0.0000555300000000, -0.0005375400000000 ] - [ -0.0000514900000000, 0.0000000000000000, -0.0056048100000000 ] - [ -0.0001260700000000, 0.0002006500000000, -0.0031782500000000 ] - [ -0.0001260700000000, -0.0002006500000000, -0.0031782500000000 ] - [ 0.0023289400000000, 0.0000000000000000, -0.0005444800000000 ] - [ 0.0024000700000000, -0.0000787000000000, -0.0002448900000000 ] - [ 0.0024000700000000, 0.0000787000000000, -0.0002448900000000 ] - [ 0.0025172800000000, 0.0000000000000000, -0.0016015400000000 ] - [ 0.0024076500000000, 0.0003592800000000, 0.0002635400000000 ] - [ 0.0024076500000000, -0.0003592800000000, 0.0002635400000000 ] - [ 0.0058190500000000, 0.0018097900000000, -0.0040256500000000 ] - [ 0.0058190500000000, -0.0018097900000000, -0.0040256500000000 ] - [ 0.0056338500000000, 0.0000000000000000, -0.0033818000000000 ] - [ 0.0046530900000000, 0.0002443800000000, -0.0039809400000000 ] - [ 0.0046530900000000, -0.0002443800000000, -0.0039809400000000 ] - [ 0.0046624200000000, 0.0000000000000000, -0.0038423600000000 ] - [ 0.0047824100000000, -0.0004718000000000, 0.0021287600000000 ] - [ 0.0047824100000000, 0.0004718000000000, 0.0021287600000000 ] - [ 0.0048767000000000, 0.0000000000000000, -0.0017623900000000 ] - [ 0.0068985000000000, -0.0003108900000000, -0.0012550700000000 ] - [ 0.0068985000000000, 0.0003108900000000, -0.0012550700000000 ] - [ 0.0068995200000000, 0.0000000000000000, -0.0011093500000000 ] - [ 0.0043978900000000, 0.0017978200000000, -0.0049229200000000 ] - [ 0.0043978900000000, -0.0017978200000000, -0.0049229200000000 ] - [ 0.0046812500000000, 0.0000000000000000, -0.0042675700000000 ] - [ 0.0051941600000000, 0.0002732200000000, -0.0045646400000000 ] - [ 0.0051941600000000, -0.0002732200000000, -0.0045646400000000 ] - [ 0.0051971300000000, 0.0000000000000000, -0.0044245100000000 ] - [ 0.0068990200000000, -0.0003057100000000, 0.0038460900000000 ] - [ 0.0068990200000000, 0.0003057100000000, 0.0038460900000000 ] - [ 0.0068890000000000, 0.0000000000000000, 0.0039635000000000 ] - [ 0.0006574900000000, 0.0019867500000000, -0.0009762300000000 ] - [ 0.0006574900000000, -0.0019867500000000, -0.0009762300000000 ] - [ 0.0004493600000000, 0.0000000000000000, -0.0004786000000000 ] - [ 0.0000274900000000, -0.0045517000000000, -0.0009307900000000 ] - [ 0.0000274900000000, 0.0045517000000000, -0.0009307900000000 ] - [ -0.0003244800000000, 0.0000000000000000, -0.0007585600000000 ] - [ -0.0004028800000000, -0.0004947100000000, 0.0007346100000000 ] - [ -0.0004028800000000, 0.0004947100000000, 0.0007346100000000 ] - [ -0.0003893700000000, 0.0000000000000000, 0.0002607600000000 ] - [ -0.0001210200000000, -0.0015519300000000, -0.0018491000000000 ] - [ -0.0001210200000000, 0.0015519300000000, -0.0018491000000000 ] - [ -0.0000230600000000, 0.0000000000000000, -0.0007781000000000 ] - [ -0.0005616500000000, -0.0005102500000000, 0.0008476700000000 ] - [ -0.0005616500000000, 0.0005102500000000, 0.0008476700000000 ] - [ -0.0005769200000000, 0.0000000000000000, 0.0003796700000000 ] - [ 0.0000843400000000, 0.0000155800000000, 0.0007933000000000 ] - [ 0.0000843400000000, -0.0000155800000000, 0.0007933000000000 ] - [ 0.0000856200000000, 0.0000000000000000, 0.0006337300000000 ] - [ -0.0005985900000000, 0.0000087900000000, 0.0005392000000000 ] - [ -0.0005985900000000, -0.0000087900000000, 0.0005392000000000 ] - [ -0.0006000200000000, 0.0000000000000000, 0.0003920000000000 ] - [ -0.0097172500000000, 0.0000000000000000, 0.0000890300000000 ] - [ -0.0095744800000000, -0.0002622700000000, -0.0014798000000000 ] - [ -0.0095744800000000, 0.0002622700000000, -0.0014798000000000 ] - [ -0.0105512400000000, 0.0000000000000000, 0.0128430300000000 ] - [ -0.0109840100000000, -0.0017889500000000, 0.0053453800000000 ] - [ -0.0109840100000000, 0.0017889500000000, 0.0053453800000000 ] - [ -0.0042807900000000, 0.0000000000000000, 0.0157840600000000 ] - [ -0.0036754700000000, -0.0018364700000000, 0.0085650500000000 ] - [ -0.0036754700000000, 0.0018364700000000, 0.0085650500000000 ] - [ 0.0005899100000000, 0.0000000000000000, -0.0192827000000000 ] - [ -0.0063574400000000, -0.0010751100000000, 0.0022504700000000 ] - [ -0.0063574400000000, 0.0010751100000000, 0.0022504700000000 ] - [ -0.0057286200000000, 0.0000000000000000, 0.0125786000000000 ] - [ -0.0060492300000000, 0.0014743900000000, 0.0054657200000000 ] - [ -0.0060492300000000, -0.0014743900000000, 0.0054657200000000 ] - [ -0.0071229000000000, 0.0000000000000000, 0.0121527500000000 ] - [ -0.0080041400000000, 0.0014470600000000, 0.0043840600000000 ] - [ -0.0080041400000000, -0.0014470600000000, 0.0043840600000000 ] - [ -0.0090191000000000, 0.0000000000000000, -0.0138962900000000 ] - [ -0.0065801300000000, -0.0005452000000000, 0.0007865600000000 ] - [ -0.0065801300000000, 0.0005452000000000, 0.0007865600000000 ] - [ -0.0069181100000000, 0.0000000000000000, 0.0071875500000000 ] - [ -0.0069616300000000, 0.0002016800000000, 0.0059704600000000 ] - [ -0.0069616300000000, -0.0002016800000000, 0.0059704600000000 ] - [ -0.0085680100000000, 0.0000000000000000, 0.0057067100000000 ] - [ -0.0086779400000000, -0.0002440700000000, 0.0041421700000000 ] - [ -0.0086779400000000, 0.0002440700000000, 0.0041421700000000 ] - [ -0.0068436600000000, 0.0000000000000000, 0.0078918400000000 ] - [ -0.0069317900000000, 0.0002175200000000, 0.0065910700000000 ] - [ -0.0069317900000000, -0.0002175200000000, 0.0065910700000000 ]- atom: 25 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0023156700000000, -0.0030579000000000, 0.0002251100000000 ] - [ -0.0023156700000000, 0.0030579000000000, 0.0002251100000000 ] - [ -0.0006554500000000, 0.0000000000000000, -0.0000283800000000 ] - [ -0.0002558100000000, -0.0003754500000000, -0.0001899100000000 ] - [ -0.0002558100000000, 0.0003754500000000, -0.0001899100000000 ] - [ -0.0001909000000000, 0.0000000000000000, 0.0000916100000000 ] - [ -0.0000854500000000, 0.0003028800000000, 0.0006238400000000 ] - [ -0.0000854500000000, -0.0003028800000000, 0.0006238400000000 ] - [ -0.0001159500000000, 0.0000000000000000, 0.0003795600000000 ] - [ 0.0059507400000000, 0.0004510100000000, -0.0031104400000000 ] - [ 0.0059507400000000, -0.0004510100000000, -0.0031104400000000 ] - [ 0.0045127000000000, 0.0000000000000000, -0.0034646700000000 ] - [ 0.0112131800000000, 0.0005983200000000, -0.0039489400000000 ] - [ 0.0112131800000000, -0.0005983200000000, -0.0039489400000000 ] - [ 0.0096504000000000, 0.0000000000000000, -0.0037394400000000 ] - [ -0.0025449500000000, 0.0035376800000000, -0.0055045400000000 ] - [ -0.0025449500000000, -0.0035376800000000, -0.0055045400000000 ] - [ 0.0012169400000000, 0.0000000000000000, -0.0073327700000000 ] - [ 0.0013131000000000, 0.0000000000000000, -0.0011314700000000 ] - [ -0.0005560300000000, -0.0000006300000000, -0.0009229100000000 ] - [ -0.0005560300000000, 0.0000006300000000, -0.0009229100000000 ] - [ 0.0141999300000000, 0.0000000000000000, -0.0085338400000000 ] - [ 0.0023518800000000, -0.0001719000000000, 0.0002702000000000 ] - [ 0.0023518800000000, 0.0001719000000000, 0.0002702000000000 ] - [ -0.0580823000000000, 0.0000000000000000, -0.0142541700000000 ] - [ -0.0011607300000000, 0.0002698900000000, -0.0023091500000000 ] - [ -0.0011607300000000, -0.0002698900000000, -0.0023091500000000 ] - [ 0.0090060600000000, 0.0000000000000000, 0.0160824700000000 ] - [ 0.0014527300000000, 0.0003231800000000, 0.0005511700000000 ] - [ 0.0014527300000000, -0.0003231800000000, 0.0005511700000000 ] - [ 0.0050317900000000, 0.0000000000000000, -0.0016987500000000 ] - [ 0.0016306000000000, 0.0015308600000000, -0.0015749200000000 ] - [ 0.0016306000000000, -0.0015308600000000, -0.0015749200000000 ] - [ 0.0025876200000000, 0.0000000000000000, -0.0001600300000000 ] - [ 0.0023504600000000, -0.0000440800000000, -0.0000608100000000 ] - [ 0.0023504600000000, 0.0000440800000000, -0.0000608100000000 ] - [ 0.0013943400000000, 0.0000000000000000, -0.0026016400000000 ] - [ 0.0003121500000000, -0.0002119500000000, -0.0012593700000000 ] - [ 0.0003121500000000, 0.0002119500000000, -0.0012593700000000 ] - [ -0.0004695400000000, 0.0000000000000000, -0.0017043600000000 ] - [ -0.0005109500000000, -0.0000248100000000, -0.0019235800000000 ] - [ -0.0005109500000000, 0.0000248100000000, -0.0019235800000000 ] - [ 0.0024672300000000, 0.0000000000000000, 0.0006047300000000 ] - [ 0.0024969800000000, -0.0000128700000000, 0.0005751500000000 ] - [ 0.0024969800000000, 0.0000128700000000, 0.0005751500000000 ] - [ -0.0004041500000000, 0.0000000000000000, -0.0010784000000000 ] - [ -0.0004809300000000, -0.0000142800000000, -0.0010646300000000 ] - [ -0.0004809300000000, 0.0000142800000000, -0.0010646300000000 ] - [ 0.0025239500000000, 0.0000000000000000, 0.0004436400000000 ] - [ 0.0025309400000000, 0.0000296600000000, 0.0005652200000000 ] - [ 0.0025309400000000, -0.0000296600000000, 0.0005652200000000 ] - [ 0.0001522400000000, 0.0000000000000000, -0.0014051000000000 ] - [ 0.0001360100000000, -0.0000123800000000, -0.0013586000000000 ] - [ 0.0001360100000000, 0.0000123800000000, -0.0013586000000000 ] - [ 0.0033895300000000, 0.0000000000000000, -0.0000373600000000 ] - [ 0.0030097100000000, -0.0000363500000000, -0.0003573300000000 ] - [ 0.0030097100000000, 0.0000363500000000, -0.0003573300000000 ] - [ -0.0001969700000000, 0.0000000000000000, -0.0012748400000000 ] - [ -0.0002831200000000, -0.0000321600000000, -0.0013114700000000 ] - [ -0.0002831200000000, 0.0000321600000000, -0.0013114700000000 ] - [ 0.0216119500000000, 0.0000000000000000, 0.0142840400000000 ] - [ 0.0018085900000000, -0.0002228400000000, -0.0002224000000000 ] - [ 0.0018085900000000, 0.0002228400000000, -0.0002224000000000 ] - [ 0.0028329500000000, 0.0000000000000000, 0.0028122900000000 ] - [ 0.0004590400000000, -0.0002076700000000, -0.0004059400000000 ] - [ 0.0004590400000000, 0.0002076700000000, -0.0004059400000000 ] - [ 0.0020845600000000, 0.0000000000000000, -0.0000415500000000 ] - [ 0.0022688300000000, -0.0000245300000000, -0.0001972500000000 ] - [ 0.0022688300000000, 0.0000245300000000, -0.0001972500000000 ] - [ 0.0024026500000000, 0.0000000000000000, -0.0016359700000000 ] - [ -0.0000615300000000, -0.0000200400000000, -0.0025246200000000 ] - [ -0.0000615300000000, 0.0000200400000000, -0.0025246200000000 ] - [ 0.0024811600000000, 0.0000000000000000, 0.0002401800000000 ] - [ 0.0024191300000000, -0.0000108800000000, 0.0002202300000000 ] - [ 0.0024191300000000, 0.0000108800000000, 0.0002202300000000 ] - [ 0.0106956900000000, 0.0000000000000000, -0.0136886900000000 ] - [ 0.0019371400000000, -0.0000008800000000, -0.0001277000000000 ] - [ 0.0019371400000000, 0.0000008800000000, -0.0001277000000000 ] - [ 0.0055705600000000, 0.0000730800000000, -0.0033933200000000 ] - [ 0.0055705600000000, -0.0000730800000000, -0.0033933200000000 ] - [ 0.0055421800000000, 0.0000000000000000, -0.0033840100000000 ] - [ 0.0046518300000000, 0.0000457800000000, -0.0033635800000000 ] - [ 0.0046518300000000, -0.0000457800000000, -0.0033635800000000 ] - [ 0.0046515000000000, 0.0000000000000000, -0.0033731300000000 ] - [ 0.0016005700000000, 0.0023537700000000, -0.0041351700000000 ] - [ 0.0016005700000000, -0.0023537700000000, -0.0041351700000000 ] - [ 0.0048555900000000, 0.0000000000000000, -0.0025569700000000 ] - [ 0.0069422000000000, 0.0001861600000000, -0.0006829700000000 ] - [ 0.0069422000000000, -0.0001861600000000, -0.0006829700000000 ] - [ 0.0069221900000000, 0.0000000000000000, -0.0007187600000000 ] - [ 0.0046536200000000, 0.0001018500000000, -0.0043571200000000 ] - [ 0.0046536200000000, -0.0001018500000000, -0.0043571200000000 ] - [ 0.0047022800000000, 0.0000000000000000, -0.0043289200000000 ] - [ 0.0051984800000000, 0.0000156300000000, -0.0039573000000000 ] - [ 0.0051984800000000, -0.0000156300000000, -0.0039573000000000 ] - [ 0.0052034500000000, 0.0000000000000000, -0.0039624100000000 ] - [ 0.0068275400000000, 0.0002542800000000, 0.0045149700000000 ] - [ 0.0068275400000000, -0.0002542800000000, 0.0045149700000000 ] - [ 0.0068689900000000, 0.0000000000000000, 0.0044189900000000 ] - [ 0.0027451200000000, 0.0006996900000000, 0.0001646500000000 ] - [ 0.0027451200000000, -0.0006996900000000, 0.0001646500000000 ] - [ 0.0007401900000000, 0.0000000000000000, 0.0001923500000000 ] - [ -0.0004731900000000, -0.0006462800000000, 0.0005554400000000 ] - [ -0.0004731900000000, 0.0006462800000000, 0.0005554400000000 ] - [ -0.0003936200000000, 0.0000000000000000, -0.0000133800000000 ] - [ -0.0004045700000000, -0.0000300400000000, -0.0002053000000000 ] - [ -0.0004045700000000, 0.0000300400000000, -0.0002053000000000 ] - [ -0.0004139400000000, 0.0000000000000000, -0.0002209300000000 ] - [ 0.0001965600000000, 0.0007393400000000, -0.0007522300000000 ] - [ 0.0001965600000000, -0.0007393400000000, -0.0007522300000000 ] - [ 0.0000307000000000, 0.0000000000000000, -0.0001330000000000 ] - [ -0.0005702300000000, -0.0000268200000000, -0.0000153900000000 ] - [ -0.0005702300000000, 0.0000268200000000, -0.0000153900000000 ] - [ -0.0005637900000000, 0.0000000000000000, -0.0000282700000000 ] - [ 0.0000796900000000, -0.0000648400000000, -0.0000554700000000 ] - [ 0.0000796900000000, 0.0000648400000000, -0.0000554700000000 ] - [ 0.0000686600000000, 0.0000000000000000, -0.0000004700000000 ] - [ -0.0005935900000000, -0.0000460800000000, -0.0002246900000000 ] - [ -0.0005935900000000, 0.0000460800000000, -0.0002246900000000 ] - [ -0.0005826000000000, 0.0000000000000000, -0.0001854300000000 ] - [ -0.0087929300000000, 0.0000000000000000, -0.0052927300000000 ] - [ -0.0093795900000000, 0.0002058800000000, -0.0034464200000000 ] - [ -0.0093795900000000, -0.0002058800000000, -0.0034464200000000 ] - [ -0.0305275700000000, 0.0000000000000000, 0.0047537500000000 ] - [ -0.0117729200000000, 0.0001390700000000, 0.0065613400000000 ] - [ -0.0117729200000000, -0.0001390700000000, 0.0065613400000000 ] - [ 0.0140562700000000, 0.0000000000000000, 0.0168226100000000 ] - [ -0.0028191500000000, 0.0017533300000000, 0.0092047500000000 ] - [ -0.0028191500000000, -0.0017533300000000, 0.0092047500000000 ] - [ -0.0189596400000000, 0.0000000000000000, 0.0036686600000000 ] - [ -0.0065972600000000, -0.0000350100000000, 0.0038938200000000 ] - [ -0.0065972600000000, 0.0000350100000000, 0.0038938200000000 ] - [ -0.0061980900000000, 0.0000000000000000, 0.0063434800000000 ] - [ -0.0063152500000000, 0.0000726200000000, 0.0057206100000000 ] - [ -0.0063152500000000, -0.0000726200000000, 0.0057206100000000 ] - [ -0.0077183200000000, 0.0000000000000000, 0.0045722400000000 ] - [ -0.0075981400000000, 0.0000523800000000, 0.0044519500000000 ] - [ -0.0075981400000000, -0.0000523800000000, 0.0044519500000000 ] - [ 0.0097134800000000, 0.0000000000000000, -0.0003474100000000 ] - [ -0.0060947700000000, 0.0010515200000000, 0.0033306200000000 ] - [ -0.0060947700000000, -0.0010515200000000, 0.0033306200000000 ] - [ -0.0069426000000000, 0.0000000000000000, 0.0042722800000000 ] - [ -0.0069575000000000, 0.0000369600000000, 0.0043603800000000 ] - [ -0.0069575000000000, -0.0000369600000000, 0.0043603800000000 ] - [ -0.0090330500000000, 0.0000000000000000, 0.0022518200000000 ] - [ -0.0087711000000000, 0.0001340700000000, 0.0027133600000000 ] - [ -0.0087711000000000, -0.0001340700000000, 0.0027133600000000 ] - [ -0.0070506800000000, 0.0000000000000000, 0.0049927400000000 ] - [ -0.0070009800000000, 0.0000176700000000, 0.0050255300000000 ] - [ -0.0070009800000000, -0.0000176700000000, 0.0050255300000000 ]- atom: 25 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0012167100000000, 0.0030502500000000, -0.0003530700000000 ] - [ 0.0012167100000000, -0.0030502500000000, -0.0003530700000000 ] - [ -0.0004181300000000, 0.0000000000000000, -0.0001005600000000 ] - [ -0.0000193600000000, 0.0003741400000000, 0.0003096100000000 ] - [ -0.0000193600000000, -0.0003741400000000, 0.0003096100000000 ] - [ -0.0000764900000000, 0.0000000000000000, 0.0000274400000000 ] - [ -0.0002187300000000, -0.0003029400000000, 0.0000008100000000 ] - [ -0.0002187300000000, 0.0003029400000000, 0.0000008100000000 ] - [ -0.0001934700000000, 0.0000000000000000, 0.0002439600000000 ] - [ 0.0030285100000000, -0.0004719800000000, -0.0042768300000000 ] - [ 0.0030285100000000, 0.0004719800000000, -0.0042768300000000 ] - [ 0.0044611800000000, 0.0000000000000000, -0.0039301000000000 ] - [ 0.0080629100000000, -0.0006185000000000, -0.0029497200000000 ] - [ 0.0080629100000000, 0.0006185000000000, -0.0029497200000000 ] - [ 0.0096212700000000, 0.0000000000000000, -0.0031536200000000 ] - [ 0.0053225700000000, -0.0034282600000000, -0.0088763100000000 ] - [ 0.0053225700000000, 0.0034282600000000, -0.0088763100000000 ] - [ 0.0015418100000000, 0.0000000000000000, -0.0070996200000000 ] - [ -0.0025995300000000, 0.0000000000000000, -0.0014149800000000 ] - [ -0.0007371300000000, 0.0000024300000000, -0.0016677500000000 ] - [ -0.0007371300000000, -0.0000024300000000, -0.0016677500000000 ] - [ -0.0103620000000000, 0.0000000000000000, 0.0092038000000000 ] - [ 0.0015992600000000, 0.0001731700000000, 0.0002467400000000 ] - [ 0.0015992600000000, -0.0001731700000000, 0.0002467400000000 ] - [ 0.0570012900000000, 0.0000000000000000, 0.0101740400000000 ] - [ 0.0005138900000000, -0.0002711900000000, -0.0016551600000000 ] - [ 0.0005138900000000, 0.0002711900000000, -0.0016551600000000 ] - [ -0.0050798600000000, 0.0000000000000000, -0.0157696000000000 ] - [ 0.0024291600000000, -0.0003170400000000, -0.0004337800000000 ] - [ 0.0024291600000000, 0.0003170400000000, -0.0004337800000000 ] - [ -0.0050650000000000, 0.0000000000000000, -0.0009690700000000 ] - [ -0.0017096200000000, -0.0015082100000000, -0.0010837700000000 ] - [ -0.0017096200000000, 0.0015082100000000, -0.0010837700000000 ] - [ 0.0019907400000000, 0.0000000000000000, -0.0000225300000000 ] - [ 0.0022115000000000, 0.0000438300000000, -0.0001211400000000 ] - [ 0.0022115000000000, -0.0000438300000000, -0.0001211400000000 ] - [ -0.0006951600000000, 0.0000000000000000, 0.0000033100000000 ] - [ 0.0003753900000000, 0.0002056900000000, -0.0012087600000000 ] - [ 0.0003753900000000, -0.0002056900000000, -0.0012087600000000 ] - [ -0.0005400100000000, 0.0000000000000000, -0.0021897200000000 ] - [ -0.0004996800000000, 0.0000246500000000, -0.0019686900000000 ] - [ -0.0004996800000000, -0.0000246500000000, -0.0019686900000000 ] - [ 0.0025005300000000, 0.0000000000000000, 0.0004752900000000 ] - [ 0.0024686700000000, 0.0000124700000000, 0.0005046200000000 ] - [ 0.0024686700000000, -0.0000124700000000, 0.0005046200000000 ] - [ -0.0005457300000000, 0.0000000000000000, -0.0012429400000000 ] - [ -0.0004743000000000, 0.0000129300000000, -0.0012463500000000 ] - [ -0.0004743000000000, -0.0000129300000000, -0.0012463500000000 ] - [ 0.0026736400000000, 0.0000000000000000, 0.0004421000000000 ] - [ 0.0026764200000000, -0.0000296500000000, 0.0003209400000000 ] - [ 0.0026764200000000, 0.0000296500000000, 0.0003209400000000 ] - [ 0.0001125800000000, 0.0000000000000000, -0.0016061900000000 ] - [ 0.0001276700000000, 0.0000125800000000, -0.0016562800000000 ] - [ 0.0001276700000000, -0.0000125800000000, -0.0016562800000000 ] - [ 0.0025071000000000, 0.0000000000000000, -0.0006589200000000 ] - [ 0.0028659500000000, 0.0000353700000000, -0.0003442300000000 ] - [ 0.0028659500000000, -0.0000353700000000, -0.0003442300000000 ] - [ -0.0003612800000000, 0.0000000000000000, -0.0015318000000000 ] - [ -0.0002800700000000, 0.0000305800000000, -0.0015154400000000 ] - [ -0.0002800700000000, -0.0000305800000000, -0.0015154400000000 ] - [ -0.0189579400000000, 0.0000000000000000, -0.0149094300000000 ] - [ 0.0010373000000000, 0.0002226000000000, -0.0001466000000000 ] - [ 0.0010373000000000, -0.0002226000000000, -0.0001466000000000 ] - [ -0.0019744400000000, 0.0000000000000000, -0.0034990900000000 ] - [ 0.0003787900000000, 0.0001993700000000, -0.0004991900000000 ] - [ 0.0003787900000000, -0.0001993700000000, -0.0004991900000000 ] - [ 0.0025926000000000, 0.0000000000000000, -0.0002900700000000 ] - [ 0.0024240200000000, 0.0000238500000000, -0.0001356600000000 ] - [ 0.0024240200000000, -0.0000238500000000, -0.0001356600000000 ] - [ -0.0026463900000000, 0.0000000000000000, -0.0025522300000000 ] - [ -0.0001881500000000, 0.0000219400000000, -0.0016132900000000 ] - [ -0.0001881500000000, -0.0000219400000000, -0.0016132900000000 ] - [ 0.0023787200000000, 0.0000000000000000, 0.0001325100000000 ] - [ 0.0024402200000000, 0.0000106400000000, 0.0001523600000000 ] - [ 0.0024402200000000, -0.0000106400000000, 0.0001523600000000 ] - [ -0.0058850200000000, 0.0000000000000000, 0.0140532300000000 ] - [ 0.0028754400000000, 0.0000027000000000, 0.0006462900000000 ] - [ 0.0028754400000000, -0.0000027000000000, 0.0006462900000000 ] - [ 0.0054836700000000, -0.0000758300000000, -0.0035376900000000 ] - [ 0.0054836700000000, 0.0000758300000000, -0.0035376900000000 ] - [ 0.0055119700000000, 0.0000000000000000, -0.0035482800000000 ] - [ 0.0046482000000000, -0.0000446200000000, -0.0034490100000000 ] - [ 0.0046482000000000, 0.0000446200000000, -0.0034490100000000 ] - [ 0.0046484800000000, 0.0000000000000000, -0.0034396600000000 ] - [ 0.0083088900000000, -0.0022804900000000, -0.0010665800000000 ] - [ 0.0083088900000000, 0.0022804900000000, -0.0010665800000000 ] - [ 0.0050389000000000, 0.0000000000000000, -0.0026021000000000 ] - [ 0.0069033300000000, -0.0001871400000000, -0.0006655900000000 ] - [ 0.0069033300000000, 0.0001871400000000, -0.0006655900000000 ] - [ 0.0069233700000000, 0.0000000000000000, -0.0006282000000000 ] - [ 0.0047857500000000, -0.0000928600000000, -0.0043131500000000 ] - [ 0.0047857500000000, 0.0000928600000000, -0.0043131500000000 ] - [ 0.0047373800000000, 0.0000000000000000, -0.0043394700000000 ] - [ 0.0052061200000000, -0.0000128400000000, -0.0040402500000000 ] - [ 0.0052061200000000, 0.0000128400000000, -0.0040402500000000 ] - [ 0.0052014100000000, 0.0000000000000000, -0.0040354500000000 ] - [ 0.0069259300000000, -0.0002403500000000, 0.0042248700000000 ] - [ 0.0069259300000000, 0.0002403500000000, 0.0042248700000000 ] - [ 0.0068854200000000, 0.0000000000000000, 0.0043162800000000 ] - [ -0.0016955200000000, -0.0009076300000000, 0.0000660000000000 ] - [ -0.0016955200000000, 0.0009076300000000, 0.0000660000000000 ] - [ 0.0001309000000000, 0.0000000000000000, 0.0000252500000000 ] - [ -0.0001493900000000, 0.0006474300000000, -0.0003850300000000 ] - [ -0.0001493900000000, -0.0006474300000000, -0.0003850300000000 ] - [ -0.0002151600000000, 0.0000000000000000, 0.0001880300000000 ] - [ -0.0003894400000000, 0.0000288100000000, -0.0001341500000000 ] - [ -0.0003894400000000, -0.0000288100000000, -0.0001341500000000 ] - [ -0.0003791800000000, 0.0000000000000000, -0.0001184900000000 ] - [ -0.0002542900000000, -0.0007362400000000, 0.0008411900000000 ] - [ -0.0002542900000000, 0.0007362400000000, 0.0008411900000000 ] - [ -0.0000987600000000, 0.0000000000000000, 0.0002261100000000 ] - [ -0.0005899400000000, 0.0000260300000000, 0.0000935600000000 ] - [ -0.0005899400000000, -0.0000260300000000, 0.0000935600000000 ] - [ -0.0005976600000000, 0.0000000000000000, 0.0001049400000000 ] - [ 0.0000980100000000, 0.0000629500000000, 0.0001119900000000 ] - [ 0.0000980100000000, -0.0000629500000000, 0.0001119900000000 ] - [ 0.0001107600000000, 0.0000000000000000, 0.0000584800000000 ] - [ -0.0006176900000000, 0.0000443300000000, -0.0001009200000000 ] - [ -0.0006176900000000, -0.0000443300000000, -0.0001009200000000 ] - [ -0.0006299600000000, 0.0000000000000000, -0.0001382300000000 ] - [ -0.0100735400000000, 0.0000000000000000, -0.0014064200000000 ] - [ -0.0094928100000000, -0.0001952900000000, -0.0031751600000000 ] - [ -0.0094928100000000, 0.0001952900000000, -0.0031751600000000 ] - [ 0.0081626500000000, 0.0000000000000000, 0.0057134600000000 ] - [ -0.0105963000000000, -0.0001593100000000, 0.0038344600000000 ] - [ -0.0105963000000000, 0.0001593100000000, 0.0038344600000000 ] - [ -0.0208598200000000, 0.0000000000000000, 0.0005394300000000 ] - [ -0.0041020800000000, -0.0017019700000000, 0.0077968800000000 ] - [ -0.0041020800000000, 0.0017019700000000, 0.0077968800000000 ] - [ 0.0070049800000000, 0.0000000000000000, 0.0061129800000000 ] - [ -0.0053461200000000, 0.0000141000000000, 0.0059209000000000 ] - [ -0.0053461200000000, -0.0000141000000000, 0.0059209000000000 ] - [ -0.0065960300000000, 0.0000000000000000, 0.0052319000000000 ] - [ -0.0064734600000000, -0.0000686600000000, 0.0058057600000000 ] - [ -0.0064734600000000, 0.0000686600000000, 0.0058057600000000 ] - [ -0.0073294900000000, 0.0000000000000000, 0.0049357700000000 ] - [ -0.0074467700000000, -0.0000517100000000, 0.0050869600000000 ] - [ -0.0074467700000000, 0.0000517100000000, 0.0050869600000000 ] - [ -0.0231814700000000, 0.0000000000000000, 0.0072802100000000 ] - [ -0.0074117800000000, -0.0010209500000000, 0.0039394400000000 ] - [ -0.0074117800000000, 0.0010209500000000, 0.0039394400000000 ] - [ -0.0069700000000000, 0.0000000000000000, 0.0046879500000000 ] - [ -0.0069519800000000, -0.0000369200000000, 0.0045978800000000 ] - [ -0.0069519800000000, 0.0000369200000000, 0.0045978800000000 ] - [ -0.0084943600000000, 0.0000000000000000, 0.0027903200000000 ] - [ -0.0087519300000000, -0.0001342900000000, 0.0023033600000000 ] - [ -0.0087519300000000, 0.0001342900000000, 0.0023033600000000 ] - [ -0.0069510700000000, 0.0000000000000000, 0.0053064900000000 ] - [ -0.0069981200000000, -0.0000148700000000, 0.0052766700000000 ] - [ -0.0069981200000000, 0.0000148700000000, 0.0052766700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037565600000000, -0.0011726000000000, 0.0001807700000000 ] - [ 0.0026836600000000, -0.0011466200000000, -0.0003095600000000 ] - [ -0.0005348200000000, -0.0008142300000000, -0.0000658300000000 ] - [ -0.0005496800000000, 0.0002569800000000, -0.0003514700000000 ] - [ 0.0002828700000000, 0.0002699000000000, 0.0004704700000000 ] - [ -0.0001313600000000, -0.0004658200000000, 0.0000598300000000 ] - [ 0.0002097100000000, 0.0002727600000000, -0.0000788600000000 ] - [ -0.0005202500000000, 0.0002845200000000, 0.0007022800000000 ] - [ -0.0001564900000000, -0.0004592000000000, 0.0003129800000000 ] - [ 0.0037992400000000, -0.0010967600000000, -0.0045070900000000 ] - [ 0.0051812900000000, -0.0011176600000000, -0.0028799500000000 ] - [ 0.0044879400000000, 0.0022094400000000, -0.0036972000000000 ] - [ 0.0091125800000000, -0.0012724100000000, -0.0027734900000000 ] - [ 0.0101645900000000, -0.0013034100000000, -0.0041257200000000 ] - [ 0.0096373300000000, 0.0026158300000000, -0.0034472400000000 ] - [ 0.0027045200000000, 0.0131467000000000, 0.0086760700000000 ] - [ 0.0000298800000000, 0.0132505000000000, -0.0233568000000000 ] - [ 0.0013778800000000, 0.0061341300000000, -0.0072235700000000 ] - [ -0.0006496300000000, -0.0004682600000000, -0.0013056700000000 ] - [ -0.0006196700000000, 0.0002760600000000, -0.0005407600000000 ] - [ -0.0006735800000000, 0.0002794800000000, -0.0020479600000000 ] - [ 0.0019990300000000, -0.0033247800000000, 0.0002445200000000 ] - [ 0.0010844100000000, 0.0007901100000000, 0.0006594500000000 ] - [ 0.0028480300000000, 0.0007918400000000, -0.0001418500000000 ] - [ -0.0005978300000000, -0.0598430600000000, -0.0020654400000000 ] - [ -0.0005935600000000, 0.0024121700000000, -0.0016505800000000 ] - [ -0.0000526400000000, 0.0024090800000000, -0.0023081000000000 ] - [ 0.0018975700000000, -0.0049982100000000, 0.0000124800000000 ] - [ 0.0027711800000000, 0.0012344500000000, 0.0008111700000000 ] - [ 0.0011296300000000, 0.0012324400000000, -0.0006916000000000 ] - [ -0.0000400700000000, -0.0022809400000000, -0.0013341000000000 ] - [ 0.0014829300000000, 0.0020771500000000, -0.0013391400000000 ] - [ -0.0015620100000000, 0.0020560300000000, -0.0013203900000000 ] - [ 0.0022844800000000, -0.0002866800000000, -0.0000947200000000 ] - [ 0.0021499400000000, 0.0001149400000000, 0.0001321500000000 ] - [ 0.0024071000000000, 0.0001179400000000, -0.0003119500000000 ] - [ 0.0003516400000000, 0.0009077000000000, -0.0013105200000000 ] - [ 0.0002284600000000, 0.0014840000000000, 0.0013843300000000 ] - [ 0.0004578300000000, 0.0014765200000000, -0.0038121700000000 ] - [ -0.0005048900000000, -0.0001047700000000, -0.0019406100000000 ] - [ -0.0005173700000000, 0.0000523500000000, -0.0021505200000000 ] - [ -0.0004932400000000, 0.0000547700000000, -0.0017408100000000 ] - [ 0.0024829700000000, -0.0000761400000000, 0.0005405700000000 ] - [ 0.0024661100000000, 0.0000322300000000, 0.0005327000000000 ] - [ 0.0024987900000000, 0.0000341500000000, 0.0005473800000000 ] - [ -0.0004749100000000, 0.0000288800000000, -0.0011628100000000 ] - [ -0.0005019000000000, 0.0001381200000000, -0.0008505000000000 ] - [ -0.0004537300000000, 0.0001410900000000, -0.0014549300000000 ] - [ 0.0026017200000000, -0.0002491600000000, 0.0004400200000000 ] - [ 0.0027796500000000, 0.0001192900000000, 0.0006391500000000 ] - [ 0.0024338300000000, 0.0001226600000000, 0.0002489600000000 ] - [ 0.0001318800000000, -0.0001069300000000, -0.0015096600000000 ] - [ 0.0001318200000000, 0.0000542500000000, -0.0013200600000000 ] - [ 0.0001319400000000, 0.0000559100000000, -0.0016941600000000 ] - [ 0.0029447500000000, -0.0002432500000000, -0.0003427600000000 ] - [ 0.0027355600000000, 0.0000749400000000, -0.0006335800000000 ] - [ 0.0031340700000000, 0.0000787400000000, -0.0000704600000000 ] - [ -0.0002789700000000, 0.0000461200000000, -0.0013997200000000 ] - [ -0.0002910100000000, 0.0001534100000000, -0.0018735200000000 ] - [ -0.0002725000000000, 0.0001569300000000, -0.0009603400000000 ] - [ 0.0014720600000000, -0.0048820300000000, -0.0001626300000000 ] - [ 0.0001690100000000, 0.0009087200000000, -0.0004864500000000 ] - [ 0.0026542400000000, 0.0009109700000000, 0.0001178700000000 ] - [ 0.0004385400000000, 0.0021844100000000, -0.0003219700000000 ] - [ 0.0002784300000000, 0.0015429000000000, -0.0036540300000000 ] - [ 0.0005569700000000, 0.0015361000000000, 0.0027001300000000 ] - [ 0.0023414100000000, -0.0001566800000000, -0.0001605300000000 ] - [ 0.0025437200000000, 0.0000951200000000, -0.0004350800000000 ] - [ 0.0021553600000000, 0.0000984800000000, 0.0000998600000000 ] - [ -0.0001255500000000, -0.0002189400000000, -0.0020547400000000 ] - [ -0.0001187300000000, 0.0001975100000000, -0.0029785100000000 ] - [ -0.0001315600000000, 0.0002005700000000, -0.0011630200000000 ] - [ 0.0024306500000000, -0.0000727600000000, 0.0001869000000000 ] - [ 0.0024566100000000, 0.0000339300000000, 0.0001732800000000 ] - [ 0.0024044800000000, 0.0000355200000000, 0.0001995200000000 ] - [ 0.0023606700000000, -0.0046292000000000, 0.0002941900000000 ] - [ 0.0036668000000000, 0.0011755800000000, -0.0001481000000000 ] - [ 0.0011688800000000, 0.0011756600000000, 0.0006654600000000 ] - [ 0.0055109200000000, -0.0002705000000000, -0.0036466300000000 ] - [ 0.0055431800000000, -0.0002797400000000, -0.0032860100000000 ] - [ 0.0055272500000000, 0.0005577900000000, -0.0034655700000000 ] - [ 0.0046464100000000, -0.0000990800000000, -0.0034025500000000 ] - [ 0.0046533700000000, -0.0001050000000000, -0.0034094900000000 ] - [ 0.0046499100000000, 0.0002049900000000, -0.0034063400000000 ] - [ 0.0057313800000000, 0.0097144400000000, -0.0156495700000000 ] - [ 0.0041452000000000, 0.0098062000000000, 0.0106936900000000 ] - [ 0.0049460400000000, 0.0043706700000000, -0.0025740400000000 ] - [ 0.0069192200000000, -0.0002886100000000, -0.0005820300000000 ] - [ 0.0069265900000000, -0.0003023300000000, -0.0007621400000000 ] - [ 0.0069229200000000, 0.0005945400000000, -0.0006733300000000 ] - [ 0.0046884200000000, -0.0003679100000000, -0.0046169000000000 ] - [ 0.0047506900000000, -0.0003910600000000, -0.0040509400000000 ] - [ 0.0047198100000000, 0.0012399000000000, -0.0043300700000000 ] - [ 0.0051992900000000, -0.0000802300000000, -0.0039822800000000 ] - [ 0.0052051000000000, -0.0000879400000000, -0.0040152300000000 ] - [ 0.0052024100000000, 0.0003015800000000, -0.0039991900000000 ] - [ 0.0068191600000000, -0.0004169400000000, 0.0046394800000000 ] - [ 0.0069341700000000, -0.0004480000000000, 0.0040988700000000 ] - [ 0.0068776800000000, 0.0014022500000000, 0.0043639100000000 ] - [ 0.0016326900000000, 0.0036979800000000, 0.0002486300000000 ] - [ -0.0005027900000000, 0.0039735700000000, -0.0000133800000000 ] - [ 0.0004301400000000, -0.0021157000000000, 0.0001084800000000 ] - [ -0.0011905200000000, 0.0005295800000000, 0.0010205100000000 ] - [ 0.0005847900000000, 0.0005494600000000, -0.0008500600000000 ] - [ -0.0003004700000000, -0.0008613200000000, 0.0000859400000000 ] - [ -0.0004224200000000, 0.0000961400000000, -0.0000827900000000 ] - [ -0.0003699100000000, 0.0001014500000000, -0.0002557000000000 ] - [ -0.0003955200000000, -0.0002002500000000, -0.0001704200000000 ] - [ 0.0007713100000000, 0.0005282900000000, 0.0011014800000000 ] - [ -0.0008429200000000, 0.0005496400000000, -0.0010104300000000 ] - [ -0.0000376600000000, -0.0009685500000000, 0.0000442800000000 ] - [ -0.0005559500000000, 0.0001004200000000, 0.0001257800000000 ] - [ -0.0006056500000000, 0.0001051400000000, -0.0000464500000000 ] - [ -0.0005818600000000, -0.0002034400000000, 0.0000377800000000 ] - [ 0.0000538500000000, 0.0001094800000000, -0.0000560400000000 ] - [ 0.0001254600000000, 0.0001163900000000, 0.0001105700000000 ] - [ 0.0000906100000000, -0.0002211000000000, 0.0000292800000000 ] - [ -0.0005643300000000, 0.0001087600000000, -0.0002452300000000 ] - [ -0.0006489000000000, 0.0001151700000000, -0.0000819600000000 ] - [ -0.0006075800000000, -0.0002272200000000, -0.0001614500000000 ] - [ -0.0094319000000000, 0.0009732800000000, -0.0033621400000000 ] - [ -0.0097290800000000, -0.0007458000000000, -0.0008777200000000 ] - [ -0.0091481600000000, -0.0007704000000000, -0.0057070600000000 ] - [ -0.0111815600000000, 0.0033703200000000, 0.0051999700000000 ] - [ -0.0113478400000000, -0.0016149700000000, 0.0068501800000000 ] - [ -0.0110206600000000, -0.0016328100000000, 0.0035495800000000 ] - [ -0.0034648300000000, 0.0197542100000000, 0.0087456300000000 ] - [ -0.0029594400000000, -0.0127176400000000, 0.0107032300000000 ] - [ -0.0039552800000000, -0.0126735900000000, 0.0063282100000000 ] - [ -0.0059652900000000, 0.0029382400000000, 0.0049099800000000 ] - [ -0.0061554000000000, -0.0014265800000000, 0.0033839100000000 ] - [ -0.0057859500000000, -0.0014327100000000, 0.0064281000000000 ] - [ -0.0063959800000000, 0.0007938400000000, 0.0057941400000000 ] - [ -0.0065034800000000, -0.0006220700000000, 0.0039970300000000 ] - [ -0.0062881800000000, -0.0006369600000000, 0.0075027000000000 ] - [ -0.0075226600000000, 0.0005932000000000, 0.0047748800000000 ] - [ -0.0075082600000000, -0.0002982800000000, 0.0041731500000000 ] - [ -0.0075362800000000, -0.0003077700000000, 0.0053638100000000 ] - [ -0.0067502000000000, 0.0167596600000000, 0.0034386700000000 ] - [ -0.0065067700000000, -0.0088904100000000, 0.0017647000000000 ] - [ -0.0070023900000000, -0.0088484800000000, 0.0054827700000000 ] - [ -0.0069560600000000, 0.0001786900000000, 0.0044789300000000 ] - [ -0.0069624800000000, -0.0000876800000000, 0.0044791300000000 ] - [ -0.0069484600000000, -0.0000919100000000, 0.0044783300000000 ] - [ -0.0087646000000000, 0.0005195800000000, 0.0024952400000000 ] - [ -0.0086998600000000, -0.0002547500000000, 0.0032085200000000 ] - [ -0.0088229700000000, -0.0002661100000000, 0.0018111600000000 ] - [ -0.0070009800000000, 0.0000771500000000, 0.0051488300000000 ] - [ -0.0069911300000000, -0.0001605600000000, 0.0051902800000000 ] - [ -0.0070074800000000, -0.0001671300000000, 0.0051121600000000 ]- atom: 25 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0000812400000000, 0.0003043200000000, 0.0058635800000000 ] - [ -0.0000812400000000, -0.0003043200000000, 0.0058635800000000 ] - [ -0.0006204700000000, 0.0000000000000000, 0.0021501500000000 ] - [ -0.0015924800000000, -0.0018541500000000, -0.0011310500000000 ] - [ -0.0015924800000000, 0.0018541500000000, -0.0011310500000000 ] - [ -0.0005286900000000, 0.0000000000000000, -0.0001140900000000 ] - [ 0.0010390200000000, -0.0020176700000000, -0.0011027600000000 ] - [ 0.0010390200000000, 0.0020176700000000, -0.0011027600000000 ] - [ 0.0001405400000000, 0.0000000000000000, 0.0001103200000000 ] - [ 0.0048446800000000, -0.0044299000000000, -0.0059284500000000 ] - [ 0.0048446800000000, 0.0044299000000000, -0.0059284500000000 ] - [ 0.0043111500000000, 0.0000000000000000, -0.0051520000000000 ] - [ 0.0093472400000000, 0.0057978300000000, -0.0060309300000000 ] - [ 0.0093472400000000, -0.0057978300000000, -0.0060309300000000 ] - [ 0.0097437900000000, 0.0000000000000000, -0.0052060600000000 ] - [ 0.0027299800000000, 0.0372546800000000, 0.0025561800000000 ] - [ 0.0027299800000000, -0.0372546800000000, 0.0025561800000000 ] - [ 0.0011427900000000, 0.0000000000000000, -0.0095354900000000 ] - [ 0.0009294800000000, 0.0000000000000000, 0.0037024400000000 ] - [ -0.0005062500000000, 0.0008531300000000, -0.0011202000000000 ] - [ -0.0005062500000000, -0.0008531300000000, -0.0011202000000000 ] - [ -0.0182004900000000, 0.0000000000000000, 0.0050978100000000 ] - [ 0.0001073800000000, 0.0016656600000000, -0.0012126900000000 ] - [ 0.0001073800000000, -0.0016656600000000, -0.0012126900000000 ] - [ -0.0118471900000000, 0.0000000000000000, -0.2571799700000000 ] - [ -0.0006368500000000, -0.0003367800000000, -0.0174887000000000 ] - [ -0.0006368500000000, 0.0003367800000000, -0.0174887000000000 ] - [ 0.0312964300000000, 0.0000000000000000, 0.0170413000000000 ] - [ 0.0036849200000000, 0.0019292600000000, -0.0018957000000000 ] - [ 0.0036849200000000, -0.0019292600000000, -0.0018957000000000 ] - [ 0.0006061700000000, 0.0000000000000000, -0.0226455700000000 ] - [ 0.0001259800000000, 0.0001863300000000, -0.0098050600000000 ] - [ 0.0001259800000000, -0.0001863300000000, -0.0098050600000000 ] - [ 0.0005563500000000, 0.0000000000000000, 0.0031484100000000 ] - [ 0.0017572900000000, 0.0005298900000000, 0.0011926500000000 ] - [ 0.0017572900000000, -0.0005298900000000, 0.0011926500000000 ] - [ -0.0019330600000000, 0.0000000000000000, 0.0326968400000000 ] - [ 0.0003824900000000, 0.0027882600000000, 0.0016273100000000 ] - [ 0.0003824900000000, -0.0027882600000000, 0.0016273100000000 ] - [ -0.0004814600000000, 0.0000000000000000, 0.0046789200000000 ] - [ -0.0005454400000000, -0.0002761400000000, 0.0021606500000000 ] - [ -0.0005454400000000, 0.0002761400000000, 0.0021606500000000 ] - [ 0.0025598000000000, 0.0000000000000000, 0.0030350100000000 ] - [ 0.0025217500000000, -0.0000550600000000, 0.0022726200000000 ] - [ 0.0025217500000000, 0.0000550600000000, 0.0022726200000000 ] - [ -0.0007729900000000, 0.0000000000000000, 0.0085736600000000 ] - [ -0.0004474900000000, 0.0003284500000000, 0.0040218000000000 ] - [ -0.0004474900000000, -0.0003284500000000, 0.0040218000000000 ] - [ 0.0046900200000000, 0.0000000000000000, 0.0035439000000000 ] - [ 0.0031940700000000, 0.0006623900000000, 0.0018270900000000 ] - [ 0.0031940700000000, -0.0006623900000000, 0.0018270900000000 ] - [ 0.0002795200000000, 0.0000000000000000, 0.0050046600000000 ] - [ 0.0002043400000000, 0.0001942700000000, 0.0028183300000000 ] - [ 0.0002043400000000, -0.0001942700000000, 0.0028183300000000 ] - [ 0.0059982400000000, 0.0000000000000000, 0.0037095500000000 ] - [ 0.0036893200000000, -0.0004869100000000, 0.0008031700000000 ] - [ 0.0036893200000000, 0.0004869100000000, 0.0008031700000000 ] - [ 0.0000793400000000, 0.0000000000000000, 0.0097515000000000 ] - [ -0.0003051000000000, -0.0004866100000000, 0.0037191600000000 ] - [ -0.0003051000000000, 0.0004866100000000, 0.0037191600000000 ] - [ 0.0299749300000000, 0.0000000000000000, 0.0042379600000000 ] - [ 0.0035203100000000, -0.0017420500000000, -0.0020167000000000 ] - [ 0.0035203100000000, 0.0017420500000000, -0.0020167000000000 ] - [ 0.0069928200000000, 0.0000000000000000, 0.0512815600000000 ] - [ 0.0002144500000000, -0.0026427200000000, 0.0026422800000000 ] - [ 0.0002144500000000, 0.0026427200000000, 0.0026422800000000 ] - [ -0.0004733800000000, 0.0000000000000000, 0.0033055300000000 ] - [ 0.0016728300000000, -0.0005452700000000, 0.0008052400000000 ] - [ 0.0016728300000000, 0.0005452700000000, 0.0008052400000000 ] - [ -0.0006243100000000, 0.0000000000000000, 0.0030217100000000 ] - [ -0.0000118700000000, -0.0006234300000000, -0.0023610900000000 ] - [ -0.0000118700000000, 0.0006234300000000, -0.0023610900000000 ] - [ 0.0026201200000000, 0.0000000000000000, 0.0027053400000000 ] - [ 0.0025537900000000, -0.0000159300000000, 0.0019228300000000 ] - [ 0.0025537900000000, 0.0000159300000000, 0.0019228300000000 ] - [ -0.0276495000000000, 0.0000000000000000, 0.0140470500000000 ] - [ 0.0001207400000000, -0.0019870800000000, -0.0015414800000000 ] - [ 0.0001207400000000, 0.0019870800000000, -0.0015414800000000 ] - [ 0.0056753400000000, -0.0016349100000000, -0.0017091600000000 ] - [ 0.0056753400000000, 0.0016349100000000, -0.0017091600000000 ] - [ 0.0055499900000000, 0.0000000000000000, -0.0024008900000000 ] - [ 0.0046429300000000, 0.0000642700000000, -0.0014050500000000 ] - [ 0.0046429300000000, -0.0000642700000000, -0.0014050500000000 ] - [ 0.0046482000000000, 0.0000000000000000, -0.0017384600000000 ] - [ 0.0038178600000000, -0.0298706900000000, 0.0068006200000000 ] - [ 0.0038178600000000, 0.0298706900000000, 0.0068006200000000 ] - [ 0.0048971500000000, 0.0000000000000000, -0.0045339300000000 ] - [ 0.0068847800000000, 0.0021021800000000, 0.0008007700000000 ] - [ 0.0068847800000000, -0.0021021800000000, 0.0008007700000000 ] - [ 0.0069306900000000, 0.0000000000000000, 0.0002365600000000 ] - [ 0.0046736200000000, -0.0031519600000000, -0.0015526700000000 ] - [ 0.0046736200000000, 0.0031519600000000, -0.0015526700000000 ] - [ 0.0046393200000000, 0.0000000000000000, -0.0026025900000000 ] - [ 0.0052287900000000, 0.0000877300000000, -0.0017010100000000 ] - [ 0.0052287900000000, -0.0000877300000000, -0.0017010100000000 ] - [ 0.0052280400000000, 0.0000000000000000, -0.0020980000000000 ] - [ 0.0067178400000000, 0.0041900500000000, 0.0072868400000000 ] - [ 0.0067178400000000, -0.0041900500000000, 0.0072868400000000 ] - [ 0.0068690800000000, 0.0000000000000000, 0.0060247900000000 ] - [ 0.0000798900000000, 0.0009644100000000, 0.0141582000000000 ] - [ 0.0000798900000000, -0.0009644100000000, 0.0141582000000000 ] - [ 0.0006473100000000, 0.0000000000000000, 0.0044661900000000 ] - [ 0.0023802100000000, 0.0028895100000000, -0.0020567500000000 ] - [ 0.0023802100000000, -0.0028895100000000, -0.0020567500000000 ] - [ 0.0003227700000000, 0.0000000000000000, -0.0000386100000000 ] - [ -0.0001171300000000, 0.0005039800000000, -0.0028755400000000 ] - [ -0.0001171300000000, -0.0005039800000000, -0.0028755400000000 ] - [ -0.0002206700000000, 0.0000000000000000, -0.0022330800000000 ] - [ -0.0025492500000000, 0.0042084200000000, -0.0031457000000000 ] - [ -0.0025492500000000, -0.0042084200000000, -0.0031457000000000 ] - [ -0.0005974800000000, 0.0000000000000000, -0.0001667300000000 ] - [ -0.0008788500000000, 0.0005062800000000, -0.0027872400000000 ] - [ -0.0008788500000000, -0.0005062800000000, -0.0027872400000000 ] - [ -0.0007736600000000, 0.0000000000000000, -0.0021054100000000 ] - [ -0.0002550700000000, -0.0007353000000000, -0.0029085900000000 ] - [ -0.0002550700000000, 0.0007353000000000, -0.0029085900000000 ] - [ -0.0000877500000000, 0.0000000000000000, -0.0021269100000000 ] - [ -0.0002133100000000, -0.0007428200000000, -0.0029065400000000 ] - [ -0.0002133100000000, 0.0007428200000000, -0.0029065400000000 ] - [ -0.0004071100000000, 0.0000000000000000, -0.0021624300000000 ] - [ -0.0073315800000000, 0.0000000000000000, -0.0289586700000000 ] - [ -0.0088728300000000, 0.0033865800000000, -0.0097926100000000 ] - [ -0.0088728300000000, -0.0033865800000000, -0.0097926100000000 ] - [ -0.0094992000000000, 0.0000000000000000, 0.0183983500000000 ] - [ -0.0117783600000000, 0.0043861800000000, 0.0121138600000000 ] - [ -0.0117783600000000, -0.0043861800000000, 0.0121138600000000 ] - [ -0.0074624900000000, 0.0000000000000000, 0.0630898800000000 ] - [ -0.0023550400000000, 0.0212914100000000, 0.0182571500000000 ] - [ -0.0023550400000000, -0.0212914100000000, 0.0182571500000000 ] - [ -0.0069371100000000, 0.0000000000000000, 0.0164699500000000 ] - [ -0.0050613800000000, -0.0031477900000000, 0.0107604200000000 ] - [ -0.0050613800000000, 0.0031477900000000, 0.0107604200000000 ] - [ -0.0067525600000000, 0.0000000000000000, -0.0120929000000000 ] - [ -0.0064836800000000, -0.0023230700000000, 0.0002240900000000 ] - [ -0.0064836800000000, 0.0023230700000000, 0.0002240900000000 ] - [ -0.0077248900000000, 0.0000000000000000, -0.0033446300000000 ] - [ -0.0076465100000000, -0.0014695200000000, 0.0013673200000000 ] - [ -0.0076465100000000, 0.0014695200000000, 0.0013673200000000 ] - [ -0.0079326500000000, 0.0000000000000000, 0.0309992200000000 ] - [ -0.0077120400000000, -0.0161816100000000, 0.0125633200000000 ] - [ -0.0077120400000000, 0.0161816100000000, 0.0125633200000000 ] - [ -0.0069717100000000, 0.0000000000000000, -0.0038249300000000 ] - [ -0.0069866900000000, 0.0000678900000000, -0.0012718300000000 ] - [ -0.0069866900000000, -0.0000678900000000, -0.0012718300000000 ] - [ -0.0095199800000000, 0.0000000000000000, -0.0063892500000000 ] - [ -0.0089048500000000, 0.0017229000000000, -0.0006330600000000 ] - [ -0.0089048500000000, -0.0017229000000000, -0.0006330600000000 ] - [ -0.0074829500000000, 0.0000000000000000, -0.0053613700000000 ] - [ -0.0072805000000000, 0.0000774700000000, -0.0014432300000000 ] - [ -0.0072805000000000, -0.0000774700000000, -0.0014432300000000 ]- atom: 25 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0010898000000000, -0.0004032200000000, -0.0059736000000000 ] - [ -0.0010898000000000, 0.0004032200000000, -0.0059736000000000 ] - [ -0.0004476200000000, 0.0000000000000000, -0.0022756000000000 ] - [ 0.0013359600000000, 0.0018613500000000, 0.0012338700000000 ] - [ 0.0013359600000000, -0.0018613500000000, 0.0012338700000000 ] - [ 0.0002655500000000, 0.0000000000000000, 0.0002203400000000 ] - [ -0.0013546300000000, 0.0020252700000000, 0.0017103600000000 ] - [ -0.0013546300000000, -0.0020252700000000, 0.0017103600000000 ] - [ -0.0004521500000000, 0.0000000000000000, 0.0005002000000000 ] - [ 0.0041234900000000, 0.0044146100000000, -0.0015136200000000 ] - [ 0.0041234900000000, -0.0044146100000000, -0.0015136200000000 ] - [ 0.0046643900000000, 0.0000000000000000, -0.0022642800000000 ] - [ 0.0099213300000000, -0.0057899600000000, -0.0008307200000000 ] - [ 0.0099213300000000, 0.0057899600000000, -0.0008307200000000 ] - [ 0.0095298200000000, 0.0000000000000000, -0.0016716800000000 ] - [ 0.0000122300000000, -0.0375202900000000, -0.0168930600000000 ] - [ 0.0000122300000000, 0.0375202900000000, -0.0168930600000000 ] - [ 0.0016152400000000, 0.0000000000000000, -0.0048909300000000 ] - [ -0.0021974800000000, 0.0000000000000000, -0.0063198100000000 ] - [ -0.0007869600000000, -0.0008507300000000, -0.0015152000000000 ] - [ -0.0007869600000000, 0.0008507300000000, -0.0015152000000000 ] - [ 0.0220402000000000, 0.0000000000000000, -0.0046744700000000 ] - [ 0.0038180400000000, -0.0016667800000000, 0.0017080400000000 ] - [ 0.0038180400000000, 0.0016667800000000, 0.0017080400000000 ] - [ 0.0124588100000000, 0.0000000000000000, 0.2559138200000000 ] - [ 0.0000145500000000, 0.0003210200000000, 0.0135177200000000 ] - [ 0.0000145500000000, -0.0003210200000000, 0.0135177200000000 ] - [ -0.0268731500000000, 0.0000000000000000, -0.0168605000000000 ] - [ 0.0002310800000000, -0.0019378800000000, 0.0019788700000000 ] - [ 0.0002310800000000, 0.0019378800000000, 0.0019788700000000 ] - [ -0.0007299600000000, 0.0000000000000000, 0.0199485200000000 ] - [ -0.0002707900000000, -0.0002365000000000, 0.0071377800000000 ] - [ -0.0002707900000000, 0.0002365000000000, 0.0071377800000000 ] - [ 0.0039828500000000, 0.0000000000000000, -0.0033241100000000 ] - [ 0.0027952000000000, -0.0005263300000000, -0.0013803700000000 ] - [ 0.0027952000000000, 0.0005263300000000, -0.0013803700000000 ] - [ 0.0026090600000000, 0.0000000000000000, -0.0347160700000000 ] - [ 0.0003041100000000, -0.0027780800000000, -0.0041064500000000 ] - [ 0.0003041100000000, 0.0027780800000000, -0.0041064500000000 ] - [ -0.0005264700000000, 0.0000000000000000, -0.0085660900000000 ] - [ -0.0004641600000000, 0.0002781900000000, -0.0060382400000000 ] - [ -0.0004641600000000, -0.0002781900000000, -0.0060382400000000 ] - [ 0.0023994100000000, 0.0000000000000000, -0.0019542100000000 ] - [ 0.0024405600000000, 0.0000568400000000, -0.0011911700000000 ] - [ 0.0024405600000000, -0.0000568400000000, -0.0011911700000000 ] - [ -0.0001894700000000, 0.0000000000000000, -0.0108547300000000 ] - [ -0.0005084500000000, -0.0003242600000000, -0.0063326600000000 ] - [ -0.0005084500000000, 0.0003242600000000, -0.0063326600000000 ] - [ 0.0005522200000000, 0.0000000000000000, -0.0026485700000000 ] - [ 0.0020227200000000, -0.0006572600000000, -0.0009455300000000 ] - [ 0.0020227200000000, 0.0006572600000000, -0.0009455300000000 ] - [ -0.0000130400000000, 0.0000000000000000, -0.0080188100000000 ] - [ 0.0000596900000000, -0.0001921600000000, -0.0058412700000000 ] - [ 0.0000596900000000, 0.0001921600000000, -0.0058412700000000 ] - [ -0.0001553100000000, 0.0000000000000000, -0.0044175500000000 ] - [ 0.0021771800000000, 0.0004902200000000, -0.0014960400000000 ] - [ 0.0021771800000000, -0.0004902200000000, -0.0014960400000000 ] - [ -0.0006491200000000, 0.0000000000000000, -0.0126183400000000 ] - [ -0.0002586300000000, 0.0004917800000000, -0.0065414300000000 ] - [ -0.0002586300000000, -0.0004917800000000, -0.0065414300000000 ] - [ -0.0272271700000000, 0.0000000000000000, -0.0044234800000000 ] - [ -0.0006948600000000, 0.0017341700000000, 0.0016659100000000 ] - [ -0.0006948600000000, -0.0017341700000000, 0.0016659100000000 ] - [ -0.0062656700000000, 0.0000000000000000, -0.0528923400000000 ] - [ 0.0006223600000000, 0.0026462600000000, -0.0035219900000000 ] - [ 0.0006223600000000, -0.0026462600000000, -0.0035219900000000 ] - [ 0.0052102400000000, 0.0000000000000000, -0.0036431600000000 ] - [ 0.0030291900000000, 0.0005486500000000, -0.0011287300000000 ] - [ 0.0030291900000000, -0.0005486500000000, -0.0011287300000000 ] - [ 0.0003926600000000, 0.0000000000000000, -0.0070998900000000 ] - [ -0.0002400700000000, 0.0006225200000000, -0.0017185900000000 ] - [ -0.0002400700000000, -0.0006225200000000, -0.0017185900000000 ] - [ 0.0022487400000000, 0.0000000000000000, -0.0023321300000000 ] - [ 0.0023097300000000, 0.0000178900000000, -0.0015485800000000 ] - [ 0.0023097300000000, -0.0000178900000000, -0.0015485800000000 ] - [ 0.0328751000000000, 0.0000000000000000, -0.0135583600000000 ] - [ 0.0047138500000000, 0.0019757500000000, 0.0020786000000000 ] - [ 0.0047138500000000, -0.0019757500000000, 0.0020786000000000 ] - [ 0.0053802600000000, 0.0016220100000000, -0.0052285500000000 ] - [ 0.0053802600000000, -0.0016220100000000, -0.0052285500000000 ] - [ 0.0055042600000000, 0.0000000000000000, -0.0045387200000000 ] - [ 0.0046568400000000, -0.0000696400000000, -0.0054060300000000 ] - [ 0.0046568400000000, 0.0000696400000000, -0.0054060300000000 ] - [ 0.0046513900000000, 0.0000000000000000, -0.0050725900000000 ] - [ 0.0060612400000000, 0.0295697700000000, -0.0120316500000000 ] - [ 0.0060612400000000, -0.0295697700000000, -0.0120316500000000 ] - [ 0.0049964300000000, 0.0000000000000000, -0.0006367800000000 ] - [ 0.0069620400000000, -0.0021138500000000, -0.0021364000000000 ] - [ 0.0069620400000000, 0.0021138500000000, -0.0021364000000000 ] - [ 0.0069156000000000, 0.0000000000000000, -0.0015721500000000 ] - [ 0.0047640300000000, 0.0031181700000000, -0.0071061400000000 ] - [ 0.0047640300000000, -0.0031181700000000, -0.0071061400000000 ] - [ 0.0047989600000000, 0.0000000000000000, -0.0060662200000000 ] - [ 0.0051752900000000, -0.0000971600000000, -0.0062962500000000 ] - [ 0.0051752900000000, 0.0000971600000000, -0.0062962500000000 ] - [ 0.0051758400000000, 0.0000000000000000, -0.0058990200000000 ] - [ 0.0070369100000000, -0.0042287900000000, 0.0014409100000000 ] - [ 0.0070369100000000, 0.0042287900000000, 0.0014409100000000 ] - [ 0.0068842100000000, 0.0000000000000000, 0.0027137800000000 ] - [ 0.0009678800000000, -0.0011767300000000, -0.0138885000000000 ] - [ 0.0009678800000000, 0.0011767300000000, -0.0138885000000000 ] - [ 0.0002085300000000, 0.0000000000000000, -0.0042381500000000 ] - [ -0.0029663100000000, -0.0028734700000000, 0.0022560400000000 ] - [ -0.0029663100000000, 0.0028734700000000, 0.0022560400000000 ] - [ -0.0009218700000000, 0.0000000000000000, 0.0002318900000000 ] - [ -0.0006705600000000, -0.0004984800000000, 0.0025362000000000 ] - [ -0.0006705600000000, 0.0004984800000000, 0.0025362000000000 ] - [ -0.0005694700000000, 0.0000000000000000, 0.0018970500000000 ] - [ 0.0024609300000000, -0.0041750900000000, 0.0032542700000000 ] - [ 0.0024609300000000, 0.0041750900000000, 0.0032542700000000 ] - [ 0.0005206700000000, 0.0000000000000000, 0.0002796700000000 ] - [ -0.0002879500000000, -0.0004999000000000, 0.0028644600000000 ] - [ -0.0002879500000000, 0.0004999000000000, 0.0028644600000000 ] - [ -0.0003918500000000, 0.0000000000000000, 0.0021851800000000 ] - [ 0.0004386400000000, 0.0007412800000000, 0.0029652700000000 ] - [ 0.0004386400000000, -0.0007412800000000, 0.0029652700000000 ] - [ 0.0002697200000000, 0.0000000000000000, 0.0021806000000000 ] - [ -0.0010063200000000, 0.0007496100000000, 0.0025812300000000 ] - [ -0.0010063200000000, -0.0007496100000000, 0.0025812300000000 ] - [ -0.0008096900000000, 0.0000000000000000, 0.0018345300000000 ] - [ -0.0115455700000000, 0.0000000000000000, 0.0224724200000000 ] - [ -0.0099992200000000, -0.0034145900000000, 0.0031478300000000 ] - [ -0.0099992200000000, 0.0034145900000000, 0.0031478300000000 ] - [ -0.0130016000000000, 0.0000000000000000, -0.0081349100000000 ] - [ -0.0105775500000000, -0.0043631000000000, -0.0017991100000000 ] - [ -0.0105775500000000, 0.0043631000000000, -0.0017991100000000 ] - [ -0.0004515600000000, 0.0000000000000000, -0.0542119400000000 ] - [ -0.0045778800000000, -0.0212872700000000, -0.0013069600000000 ] - [ -0.0045778800000000, 0.0212872700000000, -0.0013069600000000 ] - [ -0.0051245400000000, 0.0000000000000000, -0.0065157400000000 ] - [ -0.0068655200000000, 0.0031534900000000, -0.0008595300000000 ] - [ -0.0068655200000000, -0.0031534900000000, -0.0008595300000000 ] - [ -0.0060347000000000, 0.0000000000000000, 0.0235161400000000 ] - [ -0.0063053900000000, 0.0022986500000000, 0.0113132800000000 ] - [ -0.0063053900000000, -0.0022986500000000, 0.0113132800000000 ] - [ -0.0073259900000000, 0.0000000000000000, 0.0128962700000000 ] - [ -0.0073995100000000, 0.0014610200000000, 0.0082043700000000 ] - [ -0.0073995100000000, -0.0014610200000000, 0.0082043700000000 ] - [ -0.0062580600000000, 0.0000000000000000, -0.0184180700000000 ] - [ -0.0058154500000000, 0.0161306300000000, -0.0052353700000000 ] - [ -0.0058154500000000, -0.0161306300000000, -0.0052353700000000 ] - [ -0.0069421900000000, 0.0000000000000000, 0.0127836400000000 ] - [ -0.0069245800000000, -0.0000733100000000, 0.0102272000000000 ] - [ -0.0069245800000000, 0.0000733100000000, 0.0102272000000000 ] - [ -0.0080091500000000, 0.0000000000000000, 0.0113671000000000 ] - [ -0.0086204500000000, -0.0017312600000000, 0.0056057800000000 ] - [ -0.0086204500000000, 0.0017312600000000, 0.0056057800000000 ] - [ -0.0065169000000000, 0.0000000000000000, 0.0156649600000000 ] - [ -0.0067204000000000, -0.0000838100000000, 0.0117453700000000 ] - [ -0.0067204000000000, 0.0000838100000000, 0.0117453700000000 ]- atom: 28 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0027894200000000, -0.0001199800000000, -0.0001504500000000 ] - [ -0.0027894200000000, 0.0001199800000000, -0.0001504500000000 ] - [ -0.0009229300000000, 0.0000000000000000, -0.0000014200000000 ] - [ -0.0004017200000000, -0.0000264700000000, 0.0000427300000000 ] - [ -0.0004017200000000, 0.0000264700000000, 0.0000427300000000 ] - [ -0.0002806100000000, 0.0000000000000000, 0.0000505200000000 ] - [ 0.0000891500000000, -0.0000575900000000, 0.0002972800000000 ] - [ 0.0000891500000000, 0.0000575900000000, 0.0002972800000000 ] - [ -0.0000310700000000, 0.0000000000000000, 0.0003113900000000 ] - [ 0.0172353100000000, -0.0223153400000000, -0.0040698900000000 ] - [ 0.0172353100000000, 0.0223153400000000, -0.0040698900000000 ] - [ 0.0040737800000000, 0.0000000000000000, -0.0034346800000000 ] - [ 0.0095634800000000, -0.0013073300000000, -0.0045875000000000 ] - [ 0.0095634800000000, 0.0013073300000000, -0.0045875000000000 ] - [ 0.0095463000000000, 0.0000000000000000, -0.0037768400000000 ] - [ 0.0013201700000000, 0.0020203900000000, -0.0060914400000000 ] - [ 0.0013201700000000, -0.0020203900000000, -0.0060914400000000 ] - [ 0.0014182300000000, 0.0000000000000000, -0.0068364000000000 ] - [ 0.0152196300000000, 0.0000000000000000, 0.0226131100000000 ] - [ -0.0005639300000000, 0.0009466000000000, 0.0000786000000000 ] - [ -0.0005639300000000, -0.0009466000000000, 0.0000786000000000 ] - [ 0.0696055500000000, 0.0000000000000000, 0.0017334600000000 ] - [ 0.0082985700000000, 0.0000106400000000, 0.0003270100000000 ] - [ 0.0082985700000000, -0.0000106400000000, 0.0003270100000000 ] - [ 0.0068163400000000, 0.0000000000000000, 0.0270234600000000 ] - [ -0.0008006200000000, -0.0008247500000000, -0.0002513100000000 ] - [ -0.0008006200000000, 0.0008247500000000, -0.0002513100000000 ] - [ -0.1904530100000000, 0.0000000000000000, -0.0052619700000000 ] - [ -0.0031161200000000, -0.0003348100000000, -0.0001706400000000 ] - [ -0.0031161200000000, 0.0003348100000000, -0.0001706400000000 ] - [ 0.0103193600000000, 0.0000000000000000, -0.0257410800000000 ] - [ -0.0004707200000000, 0.0009328000000000, -0.0028847900000000 ] - [ -0.0004707200000000, -0.0009328000000000, -0.0028847900000000 ] - [ 0.0091528200000000, 0.0000000000000000, 0.0000790900000000 ] - [ 0.0031939200000000, 0.0000113400000000, -0.0000840600000000 ] - [ 0.0031939200000000, -0.0000113400000000, -0.0000840600000000 ] - [ 0.0136935600000000, 0.0000000000000000, -0.0289292500000000 ] - [ 0.0004685800000000, -0.0009145600000000, -0.0032154600000000 ] - [ 0.0004685800000000, 0.0009145600000000, -0.0032154600000000 ] - [ -0.0006047800000000, 0.0000000000000000, -0.0018667300000000 ] - [ -0.0005356500000000, 0.0000161000000000, -0.0018841800000000 ] - [ -0.0005356500000000, -0.0000161000000000, -0.0018841800000000 ] - [ 0.0027608100000000, 0.0000000000000000, 0.0005834600000000 ] - [ 0.0026562800000000, 0.0000023800000000, 0.0005787100000000 ] - [ 0.0026562800000000, -0.0000023800000000, 0.0005787100000000 ] - [ -0.0000310200000000, 0.0000000000000000, -0.0027443100000000 ] - [ -0.0004350400000000, -0.0001446800000000, -0.0015829900000000 ] - [ -0.0004350400000000, 0.0001446800000000, -0.0015829900000000 ] - [ -0.0025595800000000, 0.0000000000000000, 0.0005365300000000 ] - [ 0.0016326400000000, 0.0003309600000000, 0.0007455000000000 ] - [ 0.0016326400000000, -0.0003309600000000, 0.0007455000000000 ] - [ 0.0002298600000000, 0.0000000000000000, 0.0003226400000000 ] - [ 0.0001216300000000, 0.0001415000000000, -0.0009356300000000 ] - [ 0.0001216300000000, -0.0001415000000000, -0.0009356300000000 ] - [ 0.0033670000000000, 0.0000000000000000, -0.0002619000000000 ] - [ 0.0031500700000000, -0.0000076400000000, -0.0003259200000000 ] - [ 0.0031500700000000, 0.0000076400000000, -0.0003259200000000 ] - [ -0.0002018900000000, 0.0000000000000000, -0.0012309700000000 ] - [ -0.0002732000000000, -0.0000288600000000, -0.0013041700000000 ] - [ -0.0002732000000000, 0.0000288600000000, -0.0013041700000000 ] - [ 0.0079957500000000, 0.0000000000000000, 0.0001441900000000 ] - [ 0.0024353100000000, -0.0000317800000000, -0.0001820200000000 ] - [ 0.0024353100000000, 0.0000317800000000, -0.0001820200000000 ] - [ 0.0011683300000000, 0.0000000000000000, 0.0023186100000000 ] - [ 0.0004974600000000, -0.0001712200000000, 0.0002261700000000 ] - [ 0.0004974600000000, 0.0001712200000000, 0.0002261700000000 ] - [ 0.0019460000000000, 0.0000000000000000, -0.0000680700000000 ] - [ 0.0021495700000000, -0.0000105400000000, -0.0001450900000000 ] - [ 0.0021495700000000, 0.0000105400000000, -0.0001450900000000 ] - [ 0.0000877400000000, 0.0000000000000000, -0.0045789300000000 ] - [ -0.0000959200000000, 0.0001371500000000, -0.0026030400000000 ] - [ -0.0000959200000000, -0.0001371500000000, -0.0026030400000000 ] - [ 0.0021523900000000, 0.0000000000000000, 0.0002043000000000 ] - [ 0.0022468700000000, -0.0000090900000000, 0.0002153500000000 ] - [ 0.0022468700000000, 0.0000090900000000, 0.0002153500000000 ] - [ -0.0024142400000000, 0.0000000000000000, 0.0007730700000000 ] - [ 0.0013962100000000, 0.0000695700000000, 0.0001827200000000 ] - [ 0.0013962100000000, -0.0000695700000000, 0.0001827200000000 ] - [ 0.0055447000000000, -0.0015524100000000, -0.0024354200000000 ] - [ 0.0055447000000000, 0.0015524100000000, -0.0024354200000000 ] - [ 0.0054650200000000, 0.0000000000000000, -0.0031499400000000 ] - [ 0.0046344700000000, -0.0000781700000000, -0.0032881800000000 ] - [ 0.0046344700000000, 0.0000781700000000, -0.0032881800000000 ] - [ 0.0046414600000000, 0.0000000000000000, -0.0033092500000000 ] - [ 0.0154035000000000, 0.0268383800000000, -0.0024812700000000 ] - [ 0.0154035000000000, -0.0268383800000000, -0.0024812700000000 ] - [ 0.0055482800000000, 0.0000000000000000, -0.0027382600000000 ] - [ 0.0068957400000000, -0.0000691000000000, -0.0007722400000000 ] - [ 0.0068957400000000, 0.0000691000000000, -0.0007722400000000 ] - [ 0.0069041000000000, 0.0000000000000000, -0.0007417000000000 ] - [ 0.0046669000000000, 0.0016549400000000, -0.0053009200000000 ] - [ 0.0046669000000000, -0.0016549400000000, -0.0053009200000000 ] - [ 0.0047261800000000, 0.0000000000000000, -0.0047380700000000 ] - [ 0.0052191200000000, 0.0000963700000000, -0.0040431300000000 ] - [ 0.0052191200000000, -0.0000963700000000, -0.0040431300000000 ] - [ 0.0052142000000000, 0.0000000000000000, -0.0040335100000000 ] - [ 0.0068763000000000, 0.0001538400000000, 0.0045260900000000 ] - [ 0.0068763000000000, -0.0001538400000000, 0.0045260900000000 ] - [ 0.0068788100000000, 0.0000000000000000, 0.0044776500000000 ] - [ 0.0088686200000000, 0.0025953300000000, 0.0025826300000000 ] - [ 0.0088686200000000, -0.0025953300000000, 0.0025826300000000 ] - [ 0.0015192900000000, 0.0000000000000000, -0.0000945200000000 ] - [ -0.0055312600000000, -0.0001940100000000, 0.0003721000000000 ] - [ -0.0055312600000000, 0.0001940100000000, 0.0003721000000000 ] - [ -0.0012203800000000, 0.0000000000000000, 0.0000612000000000 ] - [ -0.0009038600000000, 0.0000662400000000, -0.0002795000000000 ] - [ -0.0009038600000000, -0.0000662400000000, -0.0002795000000000 ] - [ -0.0006624400000000, 0.0000000000000000, -0.0002167700000000 ] - [ 0.0077749600000000, 0.0030578900000000, -0.0024324900000000 ] - [ 0.0077749600000000, -0.0030578900000000, -0.0024324900000000 ] - [ 0.0008194300000000, 0.0000000000000000, 0.0003846900000000 ] - [ -0.0000747400000000, -0.0000752200000000, -0.0000224100000000 ] - [ -0.0000747400000000, 0.0000752200000000, -0.0000224100000000 ] - [ -0.0003222200000000, 0.0000000000000000, -0.0000246900000000 ] - [ -0.0000341500000000, -0.0000146700000000, -0.0000205700000000 ] - [ -0.0000341500000000, 0.0000146700000000, -0.0000205700000000 ] - [ -0.0000086800000000, 0.0000000000000000, -0.0000096500000000 ] - [ -0.0004625000000000, -0.0000178400000000, -0.0002077100000000 ] - [ -0.0004625000000000, 0.0000178400000000, -0.0002077100000000 ] - [ -0.0004932700000000, 0.0000000000000000, -0.0001955200000000 ] - [ -0.0093895900000000, 0.0000000000000000, -0.0045613200000000 ] - [ -0.0093936300000000, 0.0001187300000000, -0.0037919200000000 ] - [ -0.0093936300000000, -0.0001187300000000, -0.0037919200000000 ] - [ -0.0129427600000000, 0.0000000000000000, 0.0174161400000000 ] - [ -0.0114963100000000, -0.0010198400000000, 0.0066063600000000 ] - [ -0.0114963100000000, 0.0010198400000000, 0.0066063600000000 ] - [ -0.0058544400000000, 0.0000000000000000, -0.0063540700000000 ] - [ -0.0035780900000000, 0.0013450200000000, 0.0070341400000000 ] - [ -0.0035780900000000, -0.0013450200000000, 0.0070341400000000 ] - [ -0.0446642400000000, 0.0000000000000000, 0.0021109100000000 ] - [ -0.0068281900000000, -0.0110083600000000, 0.0049956300000000 ] - [ -0.0068281900000000, 0.0110083600000000, 0.0049956300000000 ] - [ -0.0055200200000000, 0.0000000000000000, 0.0198162300000000 ] - [ -0.0060313600000000, 0.0008831100000000, 0.0071164000000000 ] - [ -0.0060313600000000, -0.0008831100000000, 0.0071164000000000 ] - [ -0.0087508100000000, 0.0000000000000000, -0.0084565000000000 ] - [ -0.0078063200000000, -0.0010180500000000, 0.0035585800000000 ] - [ -0.0078063200000000, 0.0010180500000000, 0.0035585800000000 ] - [ 0.0457309100000000, 0.0000000000000000, 0.0101589300000000 ] - [ -0.0065989300000000, 0.0127772300000000, 0.0038040800000000 ] - [ -0.0065989300000000, -0.0127772300000000, 0.0038040800000000 ] - [ -0.0068617400000000, 0.0000000000000000, 0.0037901800000000 ] - [ -0.0069446300000000, -0.0000403600000000, 0.0041116600000000 ] - [ -0.0069446300000000, 0.0000403600000000, 0.0041116600000000 ] - [ -0.0086798800000000, 0.0000000000000000, 0.0030712400000000 ] - [ -0.0087538200000000, -0.0000375300000000, 0.0027346900000000 ] - [ -0.0087538200000000, 0.0000375300000000, 0.0027346900000000 ] - [ -0.0070112800000000, 0.0000000000000000, 0.0055926500000000 ] - [ -0.0069795500000000, 0.0000532400000000, 0.0052992000000000 ] - [ -0.0069795500000000, -0.0000532400000000, 0.0052992000000000 ]- atom: 28 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0017111600000000, 0.0001349300000000, 0.0000325300000000 ] - [ 0.0017111600000000, -0.0001349300000000, 0.0000325300000000 ] - [ -0.0001489600000000, 0.0000000000000000, -0.0001260200000000 ] - [ 0.0001351900000000, 0.0000286600000000, 0.0000751900000000 ] - [ 0.0001351900000000, -0.0000286600000000, 0.0000751900000000 ] - [ 0.0000147500000000, 0.0000000000000000, 0.0000664200000000 ] - [ -0.0003987300000000, 0.0000597400000000, 0.0003226700000000 ] - [ -0.0003987300000000, -0.0000597400000000, 0.0003226700000000 ] - [ -0.0002783900000000, 0.0000000000000000, 0.0003075700000000 ] - [ -0.0082527600000000, 0.0219385600000000, -0.0033208400000000 ] - [ -0.0082527600000000, -0.0219385600000000, -0.0033208400000000 ] - [ 0.0049000000000000, 0.0000000000000000, -0.0039585200000000 ] - [ 0.0096984200000000, 0.0012852800000000, -0.0023028300000000 ] - [ 0.0096984200000000, -0.0012852800000000, -0.0023028300000000 ] - [ 0.0097246500000000, 0.0000000000000000, -0.0031139300000000 ] - [ 0.0014466300000000, -0.0020268400000000, -0.0083320400000000 ] - [ 0.0014466300000000, 0.0020268400000000, -0.0083320400000000 ] - [ 0.0013421000000000, 0.0000000000000000, -0.0075930900000000 ] - [ -0.0164298600000000, 0.0000000000000000, -0.0248118800000000 ] - [ -0.0007474000000000, -0.0009509000000000, -0.0026571800000000 ] - [ -0.0007474000000000, 0.0009509000000000, -0.0026571800000000 ] - [ -0.0654728900000000, 0.0000000000000000, -0.0011766200000000 ] - [ -0.0043230300000000, 0.0000041000000000, 0.0001895500000000 ] - [ -0.0043230300000000, -0.0000041000000000, 0.0001895500000000 ] - [ -0.0072673100000000, 0.0000000000000000, -0.0311604300000000 ] - [ 0.0001757700000000, 0.0008164500000000, -0.0037073900000000 ] - [ 0.0001757700000000, -0.0008164500000000, -0.0037073900000000 ] - [ 0.1993184000000000, 0.0000000000000000, 0.0064124200000000 ] - [ 0.0070101200000000, 0.0003269200000000, 0.0002921800000000 ] - [ 0.0070101200000000, -0.0003269200000000, 0.0002921800000000 ] - [ -0.0104588400000000, 0.0000000000000000, 0.0226834400000000 ] - [ 0.0003513900000000, -0.0009384300000000, 0.0002127100000000 ] - [ 0.0003513900000000, 0.0009384300000000, 0.0002127100000000 ] - [ -0.0045500400000000, 0.0000000000000000, -0.0002502700000000 ] - [ 0.0013671600000000, -0.0000101800000000, -0.0000990000000000 ] - [ 0.0013671600000000, 0.0000101800000000, -0.0000990000000000 ] - [ -0.0129159100000000, 0.0000000000000000, 0.0267155800000000 ] - [ 0.0002319900000000, 0.0009092500000000, 0.0007621800000000 ] - [ 0.0002319900000000, -0.0009092500000000, 0.0007621800000000 ] - [ -0.0004045000000000, 0.0000000000000000, -0.0020303300000000 ] - [ -0.0004746500000000, -0.0000151200000000, -0.0020103700000000 ] - [ -0.0004746500000000, 0.0000151200000000, -0.0020103700000000 ] - [ 0.0022036700000000, 0.0000000000000000, 0.0004940400000000 ] - [ 0.0023086200000000, -0.0000017500000000, 0.0004979900000000 ] - [ 0.0023086200000000, 0.0000017500000000, 0.0004979900000000 ] - [ -0.0009185300000000, 0.0000000000000000, 0.0004327000000000 ] - [ -0.0005182700000000, 0.0001447200000000, -0.0007387700000000 ] - [ -0.0005182700000000, -0.0001447200000000, -0.0007387700000000 ] - [ 0.0077700800000000, 0.0000000000000000, 0.0003284400000000 ] - [ 0.0035819700000000, -0.0003529200000000, 0.0001151900000000 ] - [ 0.0035819700000000, 0.0003529200000000, 0.0001151900000000 ] - [ 0.0000382100000000, 0.0000000000000000, -0.0033221500000000 ] - [ 0.0001403600000000, -0.0001403800000000, -0.0020881200000000 ] - [ 0.0001403600000000, 0.0001403800000000, -0.0020881200000000 ] - [ 0.0025077600000000, 0.0000000000000000, -0.0004427700000000 ] - [ 0.0027221500000000, 0.0000083200000000, -0.0003759600000000 ] - [ 0.0027221500000000, -0.0000083200000000, -0.0003759600000000 ] - [ -0.0003599600000000, 0.0000000000000000, -0.0016042200000000 ] - [ -0.0002898800000000, 0.0000297100000000, -0.0015292600000000 ] - [ -0.0002898800000000, -0.0000297100000000, -0.0015292600000000 ] - [ -0.0051244600000000, 0.0000000000000000, -0.0005231700000000 ] - [ 0.0004007300000000, 0.0000332400000000, -0.0001833900000000 ] - [ 0.0004007300000000, -0.0000332400000000, -0.0001833900000000 ] - [ -0.0003258600000000, 0.0000000000000000, -0.0032383400000000 ] - [ 0.0003414800000000, 0.0001717000000000, -0.0011326900000000 ] - [ 0.0003414800000000, -0.0001717000000000, -0.0011326900000000 ] - [ 0.0027505100000000, 0.0000000000000000, -0.0002660000000000 ] - [ 0.0025476900000000, 0.0000112600000000, -0.0001874400000000 ] - [ 0.0025476900000000, -0.0000112600000000, -0.0001874400000000 ] - [ -0.0003313000000000, 0.0000000000000000, 0.0004124300000000 ] - [ -0.0001555100000000, -0.0001352300000000, -0.0015236100000000 ] - [ -0.0001555100000000, 0.0001352300000000, -0.0015236100000000 ] - [ 0.0027106300000000, 0.0000000000000000, 0.0001659100000000 ] - [ 0.0026133600000000, 0.0000098700000000, 0.0001539400000000 ] - [ 0.0026133600000000, -0.0000098700000000, 0.0001539400000000 ] - [ 0.0072251400000000, 0.0000000000000000, -0.0002577600000000 ] - [ 0.0034280300000000, -0.0000757600000000, 0.0003477000000000 ] - [ 0.0034280300000000, 0.0000757600000000, 0.0003477000000000 ] - [ 0.0054899900000000, 0.0015355100000000, -0.0045057100000000 ] - [ 0.0054899900000000, -0.0015355100000000, -0.0045057100000000 ] - [ 0.0055860300000000, 0.0000000000000000, -0.0037831100000000 ] - [ 0.0046655000000000, 0.0000756100000000, -0.0035269800000000 ] - [ 0.0046655000000000, -0.0000756100000000, -0.0035269800000000 ] - [ 0.0046583200000000, 0.0000000000000000, -0.0035063300000000 ] - [ -0.0053712500000000, -0.0270809300000000, -0.0026716600000000 ] - [ -0.0053712500000000, 0.0270809300000000, -0.0026716600000000 ] - [ 0.0043549600000000, 0.0000000000000000, -0.0024187100000000 ] - [ 0.0069500200000000, 0.0000637700000000, -0.0005747300000000 ] - [ 0.0069500200000000, -0.0000637700000000, -0.0005747300000000 ] - [ 0.0069417600000000, 0.0000000000000000, -0.0006041000000000 ] - [ 0.0047880400000000, -0.0016571300000000, -0.0033756500000000 ] - [ 0.0047880400000000, 0.0016571300000000, -0.0033756500000000 ] - [ 0.0047178300000000, 0.0000000000000000, -0.0039296100000000 ] - [ 0.0051855000000000, -0.0000991600000000, -0.0039579000000000 ] - [ 0.0051855000000000, 0.0000991600000000, -0.0039579000000000 ] - [ 0.0051907700000000, 0.0000000000000000, -0.0039676000000000 ] - [ 0.0068787000000000, -0.0001575000000000, 0.0042060300000000 ] - [ 0.0068787000000000, 0.0001575000000000, 0.0042060300000000 ] - [ 0.0068759300000000, 0.0000000000000000, 0.0042549100000000 ] - [ -0.0079432900000000, -0.0027644100000000, -0.0025397300000000 ] - [ -0.0079432900000000, 0.0027644100000000, -0.0025397300000000 ] - [ -0.0006507500000000, 0.0000000000000000, 0.0003123800000000 ] - [ 0.0049080200000000, 0.0002214500000000, -0.0002304300000000 ] - [ 0.0049080200000000, -0.0002214500000000, -0.0002304300000000 ] - [ 0.0006129100000000, 0.0000000000000000, 0.0001070500000000 ] - [ 0.0001106100000000, -0.0000626200000000, -0.0000566900000000 ] - [ 0.0001106100000000, 0.0000626200000000, -0.0000566900000000 ] - [ -0.0001303300000000, 0.0000000000000000, -0.0001192100000000 ] - [ -0.0077783300000000, -0.0032551400000000, 0.0026867900000000 ] - [ -0.0077783300000000, 0.0032551400000000, 0.0026867900000000 ] - [ -0.0008865900000000, 0.0000000000000000, -0.0002956300000000 ] - [ -0.0010845800000000, 0.0000773400000000, 0.0001110700000000 ] - [ -0.0010845800000000, -0.0000773400000000, 0.0001110700000000 ] - [ -0.0008387000000000, 0.0000000000000000, 0.0001090300000000 ] - [ 0.0002141800000000, 0.0000163400000000, 0.0000800200000000 ] - [ 0.0002141800000000, -0.0000163400000000, 0.0000800200000000 ] - [ 0.0001890400000000, 0.0000000000000000, 0.0000689500000000 ] - [ -0.0007508900000000, 0.0000198700000000, -0.0001148900000000 ] - [ -0.0007508900000000, -0.0000198700000000, -0.0001148900000000 ] - [ -0.0007196200000000, 0.0000000000000000, -0.0001264800000000 ] - [ -0.0094866000000000, 0.0000000000000000, -0.0020488000000000 ] - [ -0.0094799100000000, -0.0001215900000000, -0.0028250000000000 ] - [ -0.0094799100000000, 0.0001215900000000, -0.0028250000000000 ] - [ -0.0094339300000000, 0.0000000000000000, -0.0069224800000000 ] - [ -0.0108572000000000, 0.0010115500000000, 0.0037680800000000 ] - [ -0.0108572000000000, -0.0010115500000000, 0.0037680800000000 ] - [ -0.0010925200000000, 0.0000000000000000, 0.0233364000000000 ] - [ -0.0033592600000000, -0.0013434100000000, 0.0099445900000000 ] - [ -0.0033592600000000, 0.0013434100000000, 0.0099445900000000 ] - [ 0.0347906500000000, 0.0000000000000000, 0.0074498400000000 ] - [ -0.0051013500000000, 0.0109105000000000, 0.0048304900000000 ] - [ -0.0051013500000000, -0.0109105000000000, 0.0048304900000000 ] - [ -0.0073205100000000, 0.0000000000000000, -0.0082795400000000 ] - [ -0.0067803900000000, -0.0008778900000000, 0.0044138600000000 ] - [ -0.0067803900000000, 0.0008778900000000, 0.0044138600000000 ] - [ -0.0062843300000000, 0.0000000000000000, 0.0179043100000000 ] - [ -0.0072218700000000, 0.0010192100000000, 0.0059863100000000 ] - [ -0.0072218700000000, -0.0010192100000000, 0.0059863100000000 ] - [ -0.0673322300000000, 0.0000000000000000, -0.0036618000000000 ] - [ -0.0069510700000000, -0.0127879300000000, 0.0034653900000000 ] - [ -0.0069510700000000, 0.0127879300000000, 0.0034653900000000 ] - [ -0.0070493400000000, 0.0000000000000000, 0.0051708700000000 ] - [ -0.0069645000000000, 0.0000375000000000, 0.0048548200000000 ] - [ -0.0069645000000000, -0.0000375000000000, 0.0048548200000000 ] - [ -0.0088443800000000, 0.0000000000000000, 0.0019521600000000 ] - [ -0.0087690300000000, 0.0000338500000000, 0.0022750400000000 ] - [ -0.0087690300000000, -0.0000338500000000, 0.0022750400000000 ] - [ -0.0069889400000000, 0.0000000000000000, 0.0047160400000000 ] - [ -0.0070189100000000, -0.0000547700000000, 0.0050129200000000 ] - [ -0.0070189100000000, 0.0000547700000000, 0.0050129200000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006000100000000, 0.0004870100000000, -0.0010188500000000 ] - [ -0.0004741600000000, 0.0005046600000000, 0.0008862800000000 ] - [ -0.0005354600000000, -0.0007750600000000, -0.0000627400000000 ] - [ -0.0001287200000000, 0.0000815300000000, -0.0000381000000000 ] - [ -0.0001371000000000, 0.0000845600000000, 0.0001516900000000 ] - [ -0.0001329200000000, -0.0001664000000000, 0.0000570000000000 ] - [ -0.0001539500000000, 0.0001018300000000, 0.0001918200000000 ] - [ -0.0001558500000000, 0.0001047700000000, 0.0004269100000000 ] - [ -0.0001549500000000, -0.0002074600000000, 0.0003099100000000 ] - [ -0.0089895300000000, 0.0094954800000000, -0.0029617300000000 ] - [ 0.0181827000000000, 0.0095738200000000, -0.0044502800000000 ] - [ 0.0044911300000000, 0.0058978200000000, -0.0036992900000000 ] - [ 0.0091664700000000, -0.0008355100000000, -0.0029403700000000 ] - [ 0.0101117200000000, -0.0008559400000000, -0.0039519600000000 ] - [ 0.0096372200000000, 0.0015459600000000, -0.0034464400000000 ] - [ 0.0017477300000000, -0.0009156600000000, -0.0067935200000000 ] - [ 0.0010064100000000, -0.0009426600000000, -0.0076353500000000 ] - [ 0.0013786400000000, 0.0017102300000000, -0.0072164300000000 ] - [ -0.0006804500000000, -0.0047792400000000, -0.0013550000000000 ] - [ -0.0001127400000000, 0.0012826600000000, 0.0003057200000000 ] - [ -0.0011743400000000, 0.0012820200000000, -0.0028966700000000 ] - [ 0.0020054200000000, 0.0011384300000000, 0.0002519900000000 ] - [ 0.0016588800000000, 0.0029843100000000, 0.0004453500000000 ] - [ 0.0022918500000000, 0.0029723400000000, 0.0000694100000000 ] - [ -0.0002848700000000, -0.0049978900000000, -0.0018806900000000 ] - [ -0.0006411800000000, 0.0012328300000000, -0.0039179100000000 ] - [ -0.0000013200000000, 0.0012340100000000, -0.0000502100000000 ] - [ 0.0017355600000000, -0.0607327400000000, -0.0001078500000000 ] - [ 0.0022766900000000, 0.0028643600000000, -0.0000882700000000 ] - [ 0.0016143000000000, 0.0028616300000000, 0.0001940100000000 ] - [ -0.0000694700000000, -0.0045544600000000, -0.0012789300000000 ] - [ 0.0003489800000000, 0.0012645100000000, -0.0029859000000000 ] - [ -0.0004449900000000, 0.0012629400000000, 0.0003160900000000 ] - [ 0.0022839600000000, -0.0004850100000000, -0.0001051100000000 ] - [ 0.0023286700000000, 0.0003132600000000, 0.0003413700000000 ] - [ 0.0022323900000000, 0.0003172900000000, -0.0005228900000000 ] - [ 0.0003869900000000, -0.0049542000000000, -0.0013200800000000 ] - [ -0.0000373100000000, 0.0012375300000000, 0.0005398100000000 ] - [ 0.0007199600000000, 0.0012411000000000, -0.0030003100000000 ] - [ -0.0005050500000000, -0.0000836300000000, -0.0019451600000000 ] - [ -0.0005184600000000, 0.0000360100000000, -0.0019301300000000 ] - [ -0.0004921600000000, 0.0000370800000000, -0.0019592900000000 ] - [ 0.0024815800000000, -0.0000918700000000, 0.0005386900000000 ] - [ 0.0024860400000000, 0.0000459800000000, 0.0006267500000000 ] - [ 0.0024788100000000, 0.0000471200000000, 0.0004530800000000 ] - [ -0.0004782300000000, -0.0003133200000000, -0.0011653300000000 ] - [ -0.0005492400000000, 0.0001469300000000, -0.0004620600000000 ] - [ -0.0004071800000000, 0.0001499300000000, -0.0018457100000000 ] - [ 0.0026008100000000, -0.0015729700000000, 0.0004400200000000 ] - [ 0.0023386500000000, 0.0013176900000000, 0.0018484500000000 ] - [ 0.0028675000000000, 0.0013049700000000, -0.0009472200000000 ] - [ 0.0001324700000000, -0.0003618400000000, -0.0015164800000000 ] - [ 0.0001767100000000, 0.0001556200000000, -0.0008589600000000 ] - [ 0.0000879700000000, 0.0001576000000000, -0.0021542100000000 ] - [ 0.0029358600000000, -0.0000528400000000, -0.0003493400000000 ] - [ 0.0029312000000000, 0.0000270900000000, -0.0004355700000000 ] - [ 0.0029398300000000, 0.0000280300000000, -0.0002661000000000 ] - [ -0.0002815700000000, -0.0000801100000000, -0.0014145600000000 ] - [ -0.0002814400000000, 0.0000367400000000, -0.0014212200000000 ] - [ -0.0002818200000000, 0.0000376700000000, -0.0014079300000000 ] - [ 0.0014241400000000, -0.0002654700000000, -0.0001714800000000 ] - [ 0.0013760600000000, 0.0001959500000000, -0.0005788300000000 ] - [ 0.0014567500000000, 0.0001988800000000, 0.0002113200000000 ] - [ 0.0004202100000000, -0.0002946400000000, -0.0004424500000000 ] - [ 0.0003621100000000, 0.0001012800000000, -0.0011266600000000 ] - [ 0.0004747100000000, 0.0001033700000000, 0.0002129300000000 ] - [ 0.0023486100000000, -0.0000588400000000, -0.0001646500000000 ] - [ 0.0023530900000000, 0.0000274400000000, -0.0002521600000000 ] - [ 0.0023454500000000, 0.0000282900000000, -0.0000806200000000 ] - [ -0.0001250500000000, -0.0003057500000000, -0.0020530400000000 ] - [ -0.0000941700000000, 0.0001086600000000, -0.0027592400000000 ] - [ -0.0001557900000000, 0.0001103200000000, -0.0013723600000000 ] - [ 0.0024310900000000, -0.0001002900000000, 0.0001851300000000 ] - [ 0.0024495100000000, 0.0000512500000000, 0.0002615300000000 ] - [ 0.0024117700000000, 0.0000524600000000, 0.0001114700000000 ] - [ 0.0024068900000000, -0.0008149700000000, 0.0002683800000000 ] - [ 0.0023769700000000, 0.0005040300000000, -0.0004105900000000 ] - [ 0.0024476000000000, 0.0005022000000000, 0.0009256600000000 ] - [ 0.0048993100000000, -0.0008456800000000, -0.0042835800000000 ] - [ 0.0061654300000000, -0.0008658600000000, -0.0026462900000000 ] - [ 0.0055281600000000, 0.0016594400000000, -0.0034659000000000 ] - [ 0.0046492200000000, -0.0001536800000000, -0.0034587900000000 ] - [ 0.0046510300000000, -0.0001584900000000, -0.0033544200000000 ] - [ 0.0046501800000000, 0.0003044500000000, -0.0034061600000000 ] - [ 0.0198647000000000, 0.0119990900000000, -0.0019430700000000 ] - [ -0.0101680600000000, 0.0120314500000000, -0.0032286800000000 ] - [ 0.0049469500000000, 0.0057345900000000, -0.0025798500000000 ] - [ 0.0069206900000000, -0.0001487400000000, -0.0006415600000000 ] - [ 0.0069250500000000, -0.0001529000000000, -0.0007030600000000 ] - [ 0.0069228500000000, 0.0002883700000000, -0.0006727600000000 ] - [ 0.0051299100000000, -0.0008791500000000, -0.0050164800000000 ] - [ 0.0043021800000000, -0.0009032700000000, -0.0036515400000000 ] - [ 0.0047187900000000, 0.0018182400000000, -0.0043332700000000 ] - [ 0.0051935000000000, -0.0001587400000000, -0.0040521400000000 ] - [ 0.0052108400000000, -0.0001631000000000, -0.0039468200000000 ] - [ 0.0052022700000000, 0.0003190000000000, -0.0039988600000000 ] - [ 0.0068747000000000, -0.0001466700000000, 0.0043941100000000 ] - [ 0.0068798900000000, -0.0001512800000000, 0.0043397900000000 ] - [ 0.0068773500000000, 0.0002906100000000, 0.0043665500000000 ] - [ 0.0010402200000000, -0.0011729000000000, -0.0053065900000000 ] - [ -0.0001637400000000, -0.0010329000000000, 0.0054230100000000 ] - [ 0.0004322300000000, -0.0019685500000000, 0.0001109100000000 ] - [ -0.0005197900000000, 0.0010225200000000, 0.0020874400000000 ] - [ -0.0000946500000000, 0.0010628100000000, -0.0019074900000000 ] - [ -0.0003032200000000, -0.0017192300000000, 0.0000850300000000 ] - [ -0.0003901500000000, 0.0001950700000000, 0.0001090900000000 ] - [ -0.0004022700000000, 0.0002019000000000, -0.0004459800000000 ] - [ -0.0003959400000000, -0.0004070300000000, -0.0001705200000000 ] - [ 0.0004769200000000, 0.0032152500000000, 0.0021343100000000 ] - [ -0.0005253400000000, 0.0035025700000000, -0.0017737200000000 ] - [ -0.0000352500000000, -0.0020534400000000, 0.0000464900000000 ] - [ -0.0005852400000000, 0.0002725500000000, 0.0004631100000000 ] - [ -0.0005767000000000, 0.0002788700000000, -0.0003868700000000 ] - [ -0.0005815300000000, -0.0005634400000000, 0.0000365200000000 ] - [ 0.0000888000000000, 0.0000658300000000, 0.0000380700000000 ] - [ 0.0000915200000000, 0.0000681800000000, 0.0000193200000000 ] - [ 0.0000902400000000, -0.0001332700000000, 0.0000287600000000 ] - [ -0.0006054200000000, 0.0000671900000000, -0.0001553100000000 ] - [ -0.0006091200000000, 0.0000689000000000, -0.0001703300000000 ] - [ -0.0006071800000000, -0.0001340000000000, -0.0001623000000000 ] - [ -0.0094359700000000, 0.0002670800000000, -0.0033152200000000 ] - [ -0.0094652600000000, -0.0001244600000000, -0.0029196000000000 ] - [ -0.0094076800000000, -0.0001287300000000, -0.0036960700000000 ] - [ -0.0111862400000000, 0.0021906300000000, 0.0051656700000000 ] - [ -0.0116432800000000, -0.0010272000000000, 0.0071934900000000 ] - [ -0.0107269300000000, -0.0010387400000000, 0.0031975300000000 ] - [ -0.0034634900000000, 0.0022777600000000, 0.0084415700000000 ] - [ -0.0028346800000000, -0.0010498300000000, 0.0106326800000000 ] - [ -0.0040819200000000, -0.0010667100000000, 0.0063680400000000 ] - [ -0.0060423300000000, 0.0177196300000000, 0.0049267800000000 ] - [ -0.0061599600000000, -0.0090634800000000, 0.0050327700000000 ] - [ -0.0057950900000000, -0.0090272200000000, 0.0048030700000000 ] - [ -0.0063830400000000, 0.0022879400000000, 0.0058130400000000 ] - [ -0.0056107100000000, -0.0011249800000000, 0.0038610900000000 ] - [ -0.0071665900000000, -0.0011355100000000, 0.0076541000000000 ] - [ -0.0075294900000000, 0.0023745400000000, 0.0047999200000000 ] - [ -0.0081371800000000, -0.0011693300000000, 0.0028680900000000 ] - [ -0.0069178000000000, -0.0011782400000000, 0.0066631500000000 ] - [ -0.0065879300000000, 0.0222128100000000, 0.0036499900000000 ] - [ -0.0069124000000000, -0.0108896800000000, 0.0037353000000000 ] - [ -0.0065983200000000, -0.0108881600000000, 0.0035452100000000 ] - [ -0.0069559700000000, 0.0002720800000000, 0.0044844700000000 ] - [ -0.0069553400000000, -0.0001273400000000, 0.0041017500000000 ] - [ -0.0069561200000000, -0.0001308600000000, 0.0048540400000000 ] - [ -0.0087621500000000, 0.0002372300000000, 0.0024989500000000 ] - [ -0.0087374000000000, -0.0001089600000000, 0.0028517500000000 ] - [ -0.0087857400000000, -0.0001127700000000, 0.0021584500000000 ] - [ -0.0069995100000000, 0.0002794200000000, 0.0051550900000000 ] - [ -0.0070238300000000, -0.0001338100000000, 0.0047580900000000 ] - [ -0.0069755800000000, -0.0001383800000000, 0.0055420400000000 ]- atom: 28 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0006819000000000, -0.0009375000000000, 0.0005940900000000 ] - [ -0.0006819000000000, 0.0009375000000000, 0.0005940900000000 ] - [ -0.0005471000000000, 0.0000000000000000, 0.0003386300000000 ] - [ -0.0001357000000000, -0.0002882200000000, -0.0004290700000000 ] - [ -0.0001357000000000, 0.0002882200000000, -0.0004290700000000 ] - [ -0.0001332000000000, 0.0000000000000000, -0.0001997700000000 ] - [ -0.0001420400000000, -0.0003009800000000, -0.0002554600000000 ] - [ -0.0001420400000000, 0.0003009800000000, -0.0002554600000000 ] - [ -0.0001487600000000, 0.0000000000000000, -0.0000077400000000 ] - [ 0.0039932000000000, 0.0014126200000000, -0.0084584500000000 ] - [ 0.0039932000000000, -0.0014126200000000, -0.0084584500000000 ] - [ 0.0044650800000000, 0.0000000000000000, -0.0047634400000000 ] - [ 0.0093361100000000, 0.0021627400000000, -0.0028024400000000 ] - [ 0.0093361100000000, -0.0021627400000000, -0.0028024400000000 ] - [ 0.0096630800000000, 0.0000000000000000, -0.0035343200000000 ] - [ 0.0015992200000000, 0.0026555800000000, -0.0064304300000000 ] - [ 0.0015992200000000, -0.0026555800000000, -0.0064304300000000 ] - [ 0.0014045700000000, 0.0000000000000000, -0.0072950400000000 ] - [ 0.0142057300000000, 0.0000000000000000, 0.0063004300000000 ] - [ -0.0000655700000000, 0.0006771600000000, -0.0033901600000000 ] - [ -0.0000655700000000, -0.0006771600000000, -0.0033901600000000 ] - [ 0.0017340500000000, 0.0000000000000000, 0.0011673600000000 ] - [ 0.0019551100000000, -0.0001659000000000, -0.0005174800000000 ] - [ 0.0019551100000000, 0.0001659000000000, -0.0005174800000000 ] - [ 0.0154692800000000, 0.0000000000000000, 0.0148864500000000 ] - [ 0.0001710800000000, -0.0007502100000000, -0.0039033700000000 ] - [ 0.0001710800000000, 0.0007502100000000, -0.0039033700000000 ] - [ -0.0039223000000000, 0.0000000000000000, -0.0668351000000000 ] - [ 0.0017135200000000, 0.0001390200000000, -0.0019776100000000 ] - [ 0.0017135200000000, -0.0001390200000000, -0.0019776100000000 ] - [ -0.0137687300000000, 0.0000000000000000, 0.0100306600000000 ] - [ -0.0008008800000000, -0.0008171700000000, -0.0031813400000000 ] - [ -0.0008008800000000, 0.0008171700000000, -0.0031813400000000 ] - [ 0.0024811700000000, 0.0000000000000000, 0.0024040800000000 ] - [ 0.0023029800000000, 0.0003808100000000, -0.0001168500000000 ] - [ 0.0023029800000000, -0.0003808100000000, -0.0001168500000000 ] - [ -0.0142271500000000, 0.0000000000000000, 0.0067039400000000 ] - [ 0.0000180500000000, 0.0004915800000000, -0.0035301300000000 ] - [ 0.0000180500000000, -0.0004915800000000, -0.0035301300000000 ] - [ -0.0004592400000000, 0.0000000000000000, 0.0004571700000000 ] - [ -0.0004874000000000, -0.0000092700000000, -0.0003558200000000 ] - [ -0.0004874000000000, 0.0000092700000000, -0.0003558200000000 ] - [ 0.0025202500000000, 0.0000000000000000, 0.0014075600000000 ] - [ 0.0024801800000000, 0.0000734200000000, 0.0010808800000000 ] - [ 0.0024801800000000, -0.0000734200000000, 0.0010808800000000 ] - [ -0.0004254900000000, 0.0000000000000000, 0.0018807700000000 ] - [ -0.0005048400000000, 0.0002395200000000, -0.0000239000000000 ] - [ -0.0005048400000000, -0.0002395200000000, -0.0000239000000000 ] - [ 0.0026915900000000, 0.0000000000000000, 0.0024021300000000 ] - [ 0.0023371200000000, 0.0012935400000000, 0.0013582400000000 ] - [ 0.0023371200000000, -0.0012935400000000, 0.0013582400000000 ] - [ 0.0003687800000000, 0.0000000000000000, 0.0016287700000000 ] - [ 0.0002210800000000, 0.0002496500000000, -0.0003939800000000 ] - [ 0.0002210800000000, -0.0002496500000000, -0.0003939800000000 ] - [ 0.0029988200000000, 0.0000000000000000, 0.0005811100000000 ] - [ 0.0029623700000000, -0.0000521800000000, 0.0001734400000000 ] - [ 0.0029623700000000, 0.0000521800000000, 0.0001734400000000 ] - [ -0.0002694400000000, 0.0000000000000000, 0.0009999400000000 ] - [ -0.0002890500000000, -0.0000123600000000, 0.0002052400000000 ] - [ -0.0002890500000000, 0.0000123600000000, 0.0002052400000000 ] - [ 0.0024950300000000, 0.0000000000000000, 0.0021433600000000 ] - [ 0.0014728100000000, -0.0003531900000000, -0.0002302500000000 ] - [ 0.0014728100000000, 0.0003531900000000, -0.0002302500000000 ] - [ 0.0007410300000000, 0.0000000000000000, 0.0038470700000000 ] - [ 0.0003775800000000, -0.0002360100000000, 0.0010649300000000 ] - [ 0.0003775800000000, 0.0002360100000000, 0.0010649300000000 ] - [ 0.0022931500000000, 0.0000000000000000, 0.0007133800000000 ] - [ 0.0023407400000000, -0.0000642100000000, 0.0003010700000000 ] - [ 0.0023407400000000, 0.0000642100000000, 0.0003010700000000 ] - [ -0.0003243100000000, 0.0000000000000000, 0.0021288300000000 ] - [ -0.0001625800000000, -0.0002302900000000, -0.0007013600000000 ] - [ -0.0001625800000000, 0.0002302900000000, -0.0007013600000000 ] - [ 0.0025315400000000, 0.0000000000000000, 0.0010784300000000 ] - [ 0.0024669800000000, 0.0000749500000000, 0.0007383000000000 ] - [ 0.0024669800000000, -0.0000749500000000, 0.0007383000000000 ] - [ 0.0014869200000000, 0.0000000000000000, 0.0021896800000000 ] - [ 0.0024059900000000, -0.0006696500000000, 0.0004852900000000 ] - [ 0.0024059900000000, 0.0006696500000000, 0.0004852900000000 ] - [ 0.0060656700000000, -0.0018956400000000, -0.0026749600000000 ] - [ 0.0060656700000000, 0.0018956400000000, -0.0026749600000000 ] - [ 0.0055971500000000, 0.0000000000000000, -0.0035281200000000 ] - [ 0.0046465600000000, -0.0002821400000000, -0.0027027700000000 ] - [ 0.0046465600000000, 0.0002821400000000, -0.0027027700000000 ] - [ 0.0046530100000000, 0.0000000000000000, -0.0028621500000000 ] - [ 0.0056445700000000, 0.0020375900000000, -0.0077052900000000 ] - [ 0.0056445700000000, -0.0020375900000000, -0.0077052900000000 ] - [ 0.0049666600000000, 0.0000000000000000, -0.0035765200000000 ] - [ 0.0069473600000000, 0.0003564800000000, 0.0000215800000000 ] - [ 0.0069473600000000, -0.0003564800000000, 0.0000215800000000 ] - [ 0.0069475800000000, 0.0000000000000000, -0.0001356300000000 ] - [ 0.0042702500000000, -0.0019491000000000, -0.0036484600000000 ] - [ 0.0042702500000000, 0.0019491000000000, -0.0036484600000000 ] - [ 0.0045509900000000, 0.0000000000000000, -0.0044429600000000 ] - [ 0.0052107000000000, -0.0002840600000000, -0.0033090500000000 ] - [ 0.0052107000000000, 0.0002840600000000, -0.0033090500000000 ] - [ 0.0051921600000000, 0.0000000000000000, -0.0034646000000000 ] - [ 0.0068519900000000, 0.0003739900000000, 0.0050178600000000 ] - [ 0.0068519900000000, -0.0003739900000000, 0.0050178600000000 ] - [ 0.0068642200000000, 0.0000000000000000, 0.0048789700000000 ] - [ 0.0012191600000000, -0.0058957100000000, 0.0006702200000000 ] - [ 0.0012191600000000, 0.0058957100000000, 0.0006702200000000 ] - [ 0.0004460500000000, 0.0000000000000000, 0.0010082200000000 ] - [ -0.0002628500000000, 0.0016779800000000, 0.0022109500000000 ] - [ -0.0002628500000000, -0.0016779800000000, 0.0022109500000000 ] - [ -0.0003321500000000, 0.0000000000000000, 0.0010230600000000 ] - [ -0.0003969700000000, 0.0005978700000000, -0.0011502300000000 ] - [ -0.0003969700000000, -0.0005978700000000, -0.0011502300000000 ] - [ -0.0003809600000000, 0.0000000000000000, -0.0006120600000000 ] - [ -0.0004068900000000, 0.0017149700000000, 0.0040224900000000 ] - [ -0.0004068900000000, -0.0017149700000000, 0.0040224900000000 ] - [ -0.0000062400000000, 0.0000000000000000, 0.0011566800000000 ] - [ -0.0006005400000000, 0.0005124800000000, -0.0011132100000000 ] - [ -0.0006005400000000, -0.0005124800000000, -0.0011132100000000 ] - [ -0.0006168400000000, 0.0000000000000000, -0.0005593200000000 ] - [ 0.0000884100000000, -0.0000198100000000, -0.0009042000000000 ] - [ 0.0000884100000000, 0.0000198100000000, -0.0009042000000000 ] - [ 0.0000910100000000, 0.0000000000000000, -0.0007220300000000 ] - [ -0.0006078100000000, -0.0000169800000000, -0.0010268400000000 ] - [ -0.0006078100000000, 0.0000169800000000, -0.0010268400000000 ] - [ -0.0006101400000000, 0.0000000000000000, -0.0008583300000000 ] - [ -0.0090945100000000, 0.0000000000000000, -0.0075486000000000 ] - [ -0.0092669300000000, 0.0003177200000000, -0.0056356800000000 ] - [ -0.0092669300000000, -0.0003177200000000, -0.0056356800000000 ] - [ -0.0105581000000000, 0.0000000000000000, -0.0023638800000000 ] - [ -0.0108325800000000, 0.0019945400000000, 0.0050016700000000 ] - [ -0.0108325800000000, -0.0019945400000000, 0.0050016700000000 ] - [ -0.0048201100000000, 0.0000000000000000, -0.0026283600000000 ] - [ -0.0038458900000000, 0.0023336800000000, 0.0083501000000000 ] - [ -0.0038458900000000, -0.0023336800000000, 0.0083501000000000 ] - [ -0.0075735300000000, 0.0000000000000000, 0.0242677000000000 ] - [ -0.0057905900000000, 0.0005869800000000, 0.0084709500000000 ] - [ -0.0057905900000000, -0.0005869800000000, 0.0084709500000000 ] - [ -0.0065659000000000, 0.0000000000000000, -0.0018550300000000 ] - [ -0.0055369900000000, -0.0016855300000000, 0.0062053100000000 ] - [ -0.0055369900000000, 0.0016855300000000, 0.0062053100000000 ] - [ -0.0085629200000000, 0.0000000000000000, -0.0025019500000000 ] - [ -0.0081307300000000, -0.0017145400000000, 0.0049843300000000 ] - [ -0.0081307300000000, 0.0017145400000000, 0.0049843300000000 ] - [ -0.0015974100000000, 0.0000000000000000, 0.0263709500000000 ] - [ -0.0066254900000000, 0.0009550600000000, 0.0073802400000000 ] - [ -0.0066254900000000, -0.0009550600000000, 0.0073802400000000 ] - [ -0.0069973700000000, 0.0000000000000000, 0.0011885300000000 ] - [ -0.0069643800000000, -0.0002298900000000, 0.0026247500000000 ] - [ -0.0069643800000000, 0.0002298900000000, 0.0026247500000000 ] - [ -0.0089998700000000, 0.0000000000000000, -0.0011947400000000 ] - [ -0.0088607600000000, 0.0002778400000000, 0.0004905600000000 ] - [ -0.0088607600000000, -0.0002778400000000, 0.0004905600000000 ] - [ -0.0071782900000000, 0.0000000000000000, 0.0019036400000000 ] - [ -0.0070688600000000, -0.0002300000000000, 0.0033174000000000 ] - [ -0.0070688600000000, 0.0002300000000000, 0.0033174000000000 ]- atom: 28 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0003912500000000, 0.0009370100000000, -0.0007449400000000 ] - [ -0.0003912500000000, -0.0009370100000000, -0.0007449400000000 ] - [ -0.0005236000000000, 0.0000000000000000, -0.0004747800000000 ] - [ -0.0001295400000000, 0.0002904300000000, 0.0005465100000000 ] - [ -0.0001295400000000, -0.0002904300000000, 0.0005465100000000 ] - [ -0.0001322300000000, 0.0000000000000000, 0.0003159000000000 ] - [ -0.0001696200000000, 0.0003025000000000, 0.0008766900000000 ] - [ -0.0001696200000000, -0.0003025000000000, 0.0008766900000000 ] - [ -0.0001626400000000, 0.0000000000000000, 0.0006274900000000 ] - [ 0.0049345800000000, -0.0013237300000000, 0.0010627200000000 ] - [ 0.0049345800000000, 0.0013237300000000, 0.0010627200000000 ] - [ 0.0045125300000000, 0.0000000000000000, -0.0026385400000000 ] - [ 0.0099371000000000, -0.0021751900000000, -0.0040862300000000 ] - [ 0.0099371000000000, 0.0021751900000000, -0.0040862300000000 ] - [ 0.0096093000000000, 0.0000000000000000, -0.0033510600000000 ] - [ 0.0011586900000000, -0.0026662700000000, -0.0079970500000000 ] - [ 0.0011586900000000, 0.0026662700000000, -0.0079970500000000 ] - [ 0.0013540100000000, 0.0000000000000000, -0.0071302200000000 ] - [ -0.0153026400000000, 0.0000000000000000, -0.0088686100000000 ] - [ -0.0012189700000000, -0.0006721600000000, 0.0007643300000000 ] - [ -0.0012189700000000, 0.0006721600000000, 0.0007643300000000 ] - [ 0.0022712200000000, 0.0000000000000000, -0.0006739400000000 ] - [ 0.0019950100000000, 0.0001460900000000, 0.0010271700000000 ] - [ 0.0019950100000000, -0.0001460900000000, 0.0010271700000000 ] - [ -0.0163709800000000, 0.0000000000000000, -0.0189964200000000 ] - [ -0.0008150100000000, 0.0007512200000000, -0.0000272200000000 ] - [ -0.0008150100000000, -0.0007512200000000, -0.0000272200000000 ] - [ 0.0074045200000000, 0.0000000000000000, 0.0670379300000000 ] - [ 0.0021679900000000, -0.0001435800000000, 0.0020798200000000 ] - [ 0.0021679900000000, 0.0001435800000000, 0.0020798200000000 ] - [ 0.0139418000000000, 0.0000000000000000, -0.0128672400000000 ] - [ 0.0007081600000000, 0.0008215600000000, 0.0005491900000000 ] - [ 0.0007081600000000, -0.0008215600000000, 0.0005491900000000 ] - [ 0.0020918300000000, 0.0000000000000000, -0.0025808200000000 ] - [ 0.0022568900000000, -0.0003795800000000, -0.0000730600000000 ] - [ 0.0022568900000000, 0.0003795800000000, -0.0000730600000000 ] - [ 0.0147573300000000, 0.0000000000000000, -0.0091906100000000 ] - [ 0.0006634700000000, -0.0004922700000000, 0.0010347400000000 ] - [ 0.0006634700000000, 0.0004922700000000, 0.0010347400000000 ] - [ -0.0005502500000000, 0.0000000000000000, -0.0043502000000000 ] - [ -0.0005228700000000, 0.0000100700000000, -0.0035352800000000 ] - [ -0.0005228700000000, -0.0000100700000000, -0.0035352800000000 ] - [ 0.0024441400000000, 0.0000000000000000, -0.0003286500000000 ] - [ 0.0024848100000000, -0.0000726800000000, -0.0000030500000000 ] - [ 0.0024848100000000, 0.0000726800000000, -0.0000030500000000 ] - [ -0.0005303900000000, 0.0000000000000000, -0.0041926000000000 ] - [ -0.0004512400000000, -0.0002388200000000, -0.0022948000000000 ] - [ -0.0004512400000000, 0.0002388200000000, -0.0022948000000000 ] - [ 0.0025139500000000, 0.0000000000000000, -0.0015121400000000 ] - [ 0.0028696700000000, -0.0012810000000000, -0.0004664900000000 ] - [ 0.0028696700000000, 0.0012810000000000, -0.0004664900000000 ] - [ -0.0000985400000000, 0.0000000000000000, -0.0046409100000000 ] - [ 0.0000434200000000, -0.0002479300000000, -0.0026311800000000 ] - [ 0.0000434200000000, 0.0002479300000000, -0.0026311800000000 ] - [ 0.0028739100000000, 0.0000000000000000, -0.0012849600000000 ] - [ 0.0029090700000000, 0.0000527800000000, -0.0008745300000000 ] - [ 0.0029090700000000, -0.0000527800000000, -0.0008745300000000 ] - [ -0.0002934100000000, 0.0000000000000000, -0.0038333100000000 ] - [ -0.0002743900000000, 0.0000132400000000, -0.0030362500000000 ] - [ -0.0002743900000000, -0.0000132400000000, -0.0030362500000000 ] - [ 0.0003401600000000, 0.0000000000000000, -0.0025249300000000 ] - [ 0.0013598100000000, 0.0003546400000000, -0.0001304200000000 ] - [ 0.0013598100000000, -0.0003546400000000, -0.0001304200000000 ] - [ 0.0000932200000000, 0.0000000000000000, -0.0047637800000000 ] - [ 0.0004599000000000, 0.0002370200000000, -0.0019682400000000 ] - [ 0.0004599000000000, -0.0002370200000000, -0.0019682400000000 ] - [ 0.0024054300000000, 0.0000000000000000, -0.0010467100000000 ] - [ 0.0023570200000000, 0.0000648400000000, -0.0006328200000000 ] - [ 0.0023570200000000, -0.0000648400000000, -0.0006328200000000 ] - [ 0.0000810300000000, 0.0000000000000000, -0.0062705700000000 ] - [ -0.0000875800000000, 0.0002318100000000, -0.0034172400000000 ] - [ -0.0000875800000000, -0.0002318100000000, -0.0034172400000000 ] - [ 0.0023312500000000, 0.0000000000000000, -0.0007061100000000 ] - [ 0.0023932700000000, -0.0000741800000000, -0.0003675100000000 ] - [ 0.0023932700000000, 0.0000741800000000, -0.0003675100000000 ] - [ 0.0033418800000000, 0.0000000000000000, -0.0016695700000000 ] - [ 0.0024191000000000, 0.0006754200000000, 0.0000374200000000 ] - [ 0.0024191000000000, -0.0006754200000000, 0.0000374200000000 ] - [ 0.0049955100000000, 0.0018858200000000, -0.0042605100000000 ] - [ 0.0049955100000000, -0.0018858200000000, -0.0042605100000000 ] - [ 0.0054580700000000, 0.0000000000000000, -0.0034120600000000 ] - [ 0.0046533000000000, 0.0002796700000000, -0.0041112900000000 ] - [ 0.0046533000000000, -0.0002796700000000, -0.0041112900000000 ] - [ 0.0046470200000000, 0.0000000000000000, -0.0039525200000000 ] - [ 0.0043242100000000, -0.0018774500000000, 0.0025477900000000 ] - [ 0.0043242100000000, 0.0018774500000000, 0.0025477900000000 ] - [ 0.0049261100000000, 0.0000000000000000, -0.0015853100000000 ] - [ 0.0068985000000000, -0.0003610200000000, -0.0013673700000000 ] - [ 0.0068985000000000, 0.0003610200000000, -0.0013673700000000 ] - [ 0.0068982000000000, 0.0000000000000000, -0.0012092800000000 ] - [ 0.0051631200000000, 0.0019439500000000, -0.0050238300000000 ] - [ 0.0051631200000000, -0.0019439500000000, -0.0050238300000000 ] - [ 0.0048867000000000, 0.0000000000000000, -0.0042318600000000 ] - [ 0.0051938200000000, 0.0002811000000000, -0.0046909000000000 ] - [ 0.0051938200000000, -0.0002811000000000, -0.0046909000000000 ] - [ 0.0052121800000000, 0.0000000000000000, -0.0045357000000000 ] - [ 0.0069024700000000, -0.0003779300000000, 0.0037147400000000 ] - [ 0.0069024700000000, 0.0003779300000000, 0.0037147400000000 ] - [ 0.0068901700000000, 0.0000000000000000, 0.0038541300000000 ] - [ -0.0003441600000000, 0.0057848500000000, -0.0006084900000000 ] - [ -0.0003441600000000, -0.0057848500000000, -0.0006084900000000 ] - [ 0.0004176000000000, 0.0000000000000000, -0.0008028600000000 ] - [ -0.0003513100000000, -0.0016840100000000, -0.0019969300000000 ] - [ -0.0003513100000000, 0.0016840100000000, -0.0019969300000000 ] - [ -0.0002734800000000, 0.0000000000000000, -0.0008329500000000 ] - [ -0.0003953300000000, -0.0005941200000000, 0.0008113700000000 ] - [ -0.0003953300000000, 0.0005941200000000, 0.0008113700000000 ] - [ -0.0004112100000000, 0.0000000000000000, 0.0002758400000000 ] - [ 0.0003526600000000, -0.0019360500000000, -0.0037135300000000 ] - [ 0.0003526600000000, 0.0019360500000000, -0.0037135300000000 ] - [ -0.0000640400000000, 0.0000000000000000, -0.0010470700000000 ] - [ -0.0005613200000000, -0.0005099400000000, 0.0011900200000000 ] - [ -0.0005613200000000, 0.0005099400000000, 0.0011900200000000 ] - [ -0.0005460700000000, 0.0000000000000000, 0.0006375800000000 ] - [ 0.0000918800000000, 0.0000213700000000, 0.0009610600000000 ] - [ 0.0000918800000000, -0.0000213700000000, 0.0009610600000000 ] - [ 0.0000896800000000, 0.0000000000000000, 0.0007789500000000 ] - [ -0.0006066400000000, 0.0000189200000000, 0.0007017600000000 ] - [ -0.0006066400000000, -0.0000189200000000, 0.0007017600000000 ] - [ -0.0006041800000000, 0.0000000000000000, 0.0005341300000000 ] - [ -0.0097812900000000, 0.0000000000000000, 0.0009369300000000 ] - [ -0.0096061100000000, -0.0003207300000000, -0.0009861000000000 ] - [ -0.0096061100000000, 0.0003207300000000, -0.0009861000000000 ] - [ -0.0118202500000000, 0.0000000000000000, 0.0127837400000000 ] - [ -0.0115337000000000, -0.0020067000000000, 0.0053523200000000 ] - [ -0.0115337000000000, 0.0020067000000000, 0.0053523200000000 ] - [ -0.0021022400000000, 0.0000000000000000, 0.0196366700000000 ] - [ -0.0030760400000000, -0.0023443500000000, 0.0086140000000000 ] - [ -0.0030760400000000, 0.0023443500000000, 0.0086140000000000 ] - [ -0.0044675200000000, 0.0000000000000000, -0.0143968000000000 ] - [ -0.0061602600000000, -0.0005534900000000, 0.0013621200000000 ] - [ -0.0061602600000000, 0.0005534900000000, 0.0013621200000000 ] - [ -0.0062112200000000, 0.0000000000000000, 0.0133988200000000 ] - [ -0.0072412500000000, 0.0016764400000000, 0.0053396000000000 ] - [ -0.0072412500000000, -0.0016764400000000, 0.0053396000000000 ] - [ -0.0065143400000000, 0.0000000000000000, 0.0120172300000000 ] - [ -0.0069224900000000, 0.0017052000000000, 0.0045773500000000 ] - [ -0.0069224900000000, -0.0017052000000000, 0.0045773500000000 ] - [ -0.0116204300000000, 0.0000000000000000, -0.0189946900000000 ] - [ -0.0068687400000000, -0.0008756400000000, -0.0001025100000000 ] - [ -0.0068687400000000, 0.0008756400000000, -0.0001025100000000 ] - [ -0.0069156200000000, 0.0000000000000000, 0.0077707500000000 ] - [ -0.0069466200000000, 0.0002269600000000, 0.0063373500000000 ] - [ -0.0069466200000000, -0.0002269600000000, 0.0063373500000000 ] - [ -0.0085244400000000, 0.0000000000000000, 0.0062084700000000 ] - [ -0.0086630200000000, -0.0002807100000000, 0.0045129500000000 ] - [ -0.0086630200000000, 0.0002807100000000, 0.0045129500000000 ] - [ -0.0068227300000000, 0.0000000000000000, 0.0083977700000000 ] - [ -0.0069307600000000, 0.0002282600000000, 0.0069894800000000 ] - [ -0.0069307600000000, -0.0002282600000000, 0.0069894800000000 ]- atom: 31 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0028608200000000, 0.0027575100000000, -0.0001414200000000 ] - [ -0.0028608200000000, -0.0027575100000000, -0.0001414200000000 ] - [ -0.0007010800000000, 0.0000000000000000, -0.0000176300000000 ] - [ -0.0003747200000000, 0.0003967400000000, 0.0002219800000000 ] - [ -0.0003747200000000, -0.0003967400000000, 0.0002219800000000 ] - [ -0.0002077500000000, 0.0000000000000000, -0.0000221500000000 ] - [ 0.0002331400000000, -0.0002187700000000, -0.0000245800000000 ] - [ 0.0002331400000000, 0.0002187700000000, -0.0000245800000000 ] - [ -0.0000839000000000, 0.0000000000000000, 0.0001804600000000 ] - [ 0.0008131100000000, -0.0041711800000000, -0.0024370000000000 ] - [ 0.0008131100000000, 0.0041711800000000, -0.0024370000000000 ] - [ 0.0042746100000000, 0.0000000000000000, -0.0039039500000000 ] - [ 0.0057037100000000, -0.0031565600000000, -0.0042889400000000 ] - [ 0.0057037100000000, 0.0031565600000000, -0.0042889400000000 ] - [ 0.0094150800000000, 0.0000000000000000, -0.0033014400000000 ] - [ 0.0030152800000000, 0.0002018100000000, -0.0066994000000000 ] - [ 0.0030152800000000, -0.0002018100000000, -0.0066994000000000 ] - [ 0.0014616600000000, 0.0000000000000000, -0.0069022200000000 ] - [ -0.0004105900000000, 0.0000000000000000, 0.0059245000000000 ] - [ -0.0007241900000000, 0.0003503900000000, -0.0013353400000000 ] - [ -0.0007241900000000, -0.0003503900000000, -0.0013353400000000 ] - [ 0.0129643400000000, 0.0000000000000000, 0.0098017800000000 ] - [ 0.0025636600000000, 0.0002137600000000, 0.0001650000000000 ] - [ 0.0025636600000000, -0.0002137600000000, 0.0001650000000000 ] - [ 0.0047032300000000, 0.0000000000000000, -0.0013104700000000 ] - [ 0.0013418500000000, -0.0015131700000000, -0.0017811100000000 ] - [ 0.0013418500000000, 0.0015131700000000, -0.0017811100000000 ] - [ 0.0123256900000000, 0.0000000000000000, -0.0137223900000000 ] - [ 0.0015398900000000, -0.0003934500000000, -0.0006955700000000 ] - [ 0.0015398900000000, 0.0003934500000000, -0.0006955700000000 ] - [ -0.0626278600000000, 0.0000000000000000, 0.0034258600000000 ] - [ -0.0012762900000000, -0.0004455300000000, -0.0015593200000000 ] - [ -0.0012762900000000, 0.0004455300000000, -0.0015593200000000 ] - [ 0.0031665700000000, 0.0000000000000000, -0.0000148100000000 ] - [ 0.0024378700000000, 0.0000946700000000, -0.0001194500000000 ] - [ 0.0024378700000000, -0.0000946700000000, -0.0001194500000000 ] - [ 0.0025915700000000, 0.0000000000000000, -0.0030402700000000 ] - [ 0.0005075300000000, 0.0000181900000000, -0.0019666800000000 ] - [ 0.0005075300000000, -0.0000181900000000, -0.0019666800000000 ] - [ -0.0005571700000000, 0.0000000000000000, -0.0023472700000000 ] - [ -0.0005144000000000, 0.0000694100000000, -0.0018926000000000 ] - [ -0.0005144000000000, -0.0000694100000000, -0.0018926000000000 ] - [ 0.0026068600000000, 0.0000000000000000, 0.0005682500000000 ] - [ 0.0025346000000000, 0.0000285800000000, 0.0005533900000000 ] - [ 0.0025346000000000, -0.0000285800000000, 0.0005533900000000 ] - [ -0.0004407600000000, 0.0000000000000000, -0.0012489600000000 ] - [ -0.0004527700000000, 0.0000226000000000, -0.0012807700000000 ] - [ -0.0004527700000000, -0.0000226000000000, -0.0012807700000000 ] - [ 0.0020147300000000, 0.0000000000000000, 0.0004363600000000 ] - [ 0.0024584500000000, 0.0000271200000000, 0.0003166300000000 ] - [ 0.0024584500000000, -0.0000271200000000, 0.0003166300000000 ] - [ 0.0000344300000000, 0.0000000000000000, -0.0006694400000000 ] - [ 0.0001186900000000, 0.0000737200000000, -0.0014694700000000 ] - [ 0.0001186900000000, -0.0000737200000000, -0.0014694700000000 ] - [ 0.0036975500000000, 0.0000000000000000, -0.0005470100000000 ] - [ 0.0030832700000000, 0.0000453800000000, -0.0002676400000000 ] - [ 0.0030832700000000, -0.0000453800000000, -0.0002676400000000 ] - [ -0.0002183700000000, 0.0000000000000000, -0.0012704700000000 ] - [ -0.0002761900000000, 0.0000210600000000, -0.0012206100000000 ] - [ -0.0002761900000000, -0.0000210600000000, -0.0012206100000000 ] - [ 0.0194471500000000, 0.0000000000000000, -0.0131481100000000 ] - [ 0.0020052700000000, 0.0001754900000000, -0.0001159900000000 ] - [ 0.0020052700000000, -0.0001754900000000, -0.0001159900000000 ] - [ 0.0027824800000000, 0.0000000000000000, 0.0006241300000000 ] - [ 0.0005205000000000, -0.0000227100000000, 0.0003368000000000 ] - [ 0.0005205000000000, 0.0000227100000000, 0.0003368000000000 ] - [ 0.0021402600000000, 0.0000000000000000, -0.0000316600000000 ] - [ 0.0022233000000000, 0.0000311200000000, -0.0000617100000000 ] - [ 0.0022233000000000, -0.0000311200000000, -0.0000617100000000 ] - [ 0.0021159100000000, 0.0000000000000000, -0.0090262200000000 ] - [ -0.0000927800000000, 0.0002167700000000, -0.0018170900000000 ] - [ -0.0000927800000000, -0.0002167700000000, -0.0018170900000000 ] - [ 0.0022755200000000, 0.0000000000000000, 0.0002074700000000 ] - [ 0.0023747600000000, 0.0000251000000000, 0.0001991400000000 ] - [ 0.0023747600000000, -0.0000251000000000, 0.0001991400000000 ] - [ 0.0128888900000000, 0.0000000000000000, 0.0129821400000000 ] - [ 0.0018972900000000, -0.0001012400000000, 0.0006794500000000 ] - [ 0.0018972900000000, 0.0001012400000000, 0.0006794500000000 ] - [ 0.0054333000000000, -0.0006089900000000, -0.0032940900000000 ] - [ 0.0054333000000000, 0.0006089900000000, -0.0032940900000000 ] - [ 0.0054787600000000, 0.0000000000000000, -0.0034594000000000 ] - [ 0.0046459000000000, -0.0001508400000000, -0.0033852200000000 ] - [ 0.0046459000000000, 0.0001508400000000, -0.0033852200000000 ] - [ 0.0046437800000000, 0.0000000000000000, -0.0033906100000000 ] - [ 0.0065329100000000, 0.0004112000000000, -0.0033670700000000 ] - [ 0.0065329100000000, -0.0004112000000000, -0.0033670700000000 ] - [ 0.0050955200000000, 0.0000000000000000, -0.0029172500000000 ] - [ 0.0068271400000000, -0.0004872400000000, -0.0008276500000000 ] - [ 0.0068271400000000, 0.0004872400000000, -0.0008276500000000 ] - [ 0.0068982000000000, 0.0000000000000000, -0.0006475700000000 ] - [ 0.0047811300000000, -0.0000525800000000, -0.0044516400000000 ] - [ 0.0047811300000000, 0.0000525800000000, -0.0044516400000000 ] - [ 0.0047454300000000, 0.0000000000000000, -0.0044571700000000 ] - [ 0.0052106400000000, -0.0000672000000000, -0.0039865600000000 ] - [ 0.0052106400000000, 0.0000672000000000, -0.0039865600000000 ] - [ 0.0052067800000000, 0.0000000000000000, -0.0039845000000000 ] - [ 0.0069162600000000, -0.0000901800000000, 0.0045002900000000 ] - [ 0.0069162600000000, 0.0000901800000000, 0.0045002900000000 ] - [ 0.0068814000000000, 0.0000000000000000, 0.0044912900000000 ] - [ 0.0052817800000000, 0.0012868300000000, 0.0003996600000000 ] - [ 0.0052817800000000, -0.0012868300000000, 0.0003996600000000 ] - [ 0.0007957800000000, 0.0000000000000000, 0.0001350900000000 ] - [ -0.0010401800000000, 0.0009447600000000, -0.0004136100000000 ] - [ -0.0010401800000000, -0.0009447600000000, -0.0004136100000000 ] - [ -0.0004980600000000, 0.0000000000000000, 0.0002548400000000 ] - [ -0.0005106100000000, 0.0000993200000000, -0.0002049500000000 ] - [ -0.0005106100000000, -0.0000993200000000, -0.0002049500000000 ] - [ -0.0004553100000000, 0.0000000000000000, -0.0001529200000000 ] - [ 0.0008461700000000, -0.0004031000000000, 0.0009107300000000 ] - [ 0.0008461700000000, 0.0004031000000000, 0.0009107300000000 ] - [ 0.0001576000000000, 0.0000000000000000, 0.0003723500000000 ] - [ -0.0004623100000000, 0.0000811400000000, 0.0000425200000000 ] - [ -0.0004623100000000, -0.0000811400000000, 0.0000425200000000 ] - [ -0.0005222600000000, 0.0000000000000000, 0.0000788800000000 ] - [ 0.0000038600000000, 0.0000977400000000, 0.0000280300000000 ] - [ 0.0000038600000000, -0.0000977400000000, 0.0000280300000000 ] - [ 0.0000414300000000, 0.0000000000000000, -0.0000236800000000 ] - [ -0.0004978800000000, 0.0000701300000000, -0.0001962300000000 ] - [ -0.0004978800000000, -0.0000701300000000, -0.0001962300000000 ] - [ -0.0005504600000000, 0.0000000000000000, -0.0002173200000000 ] - [ -0.0097754100000000, 0.0000000000000000, -0.0042398900000000 ] - [ -0.0094215300000000, -0.0000785100000000, -0.0039453600000000 ] - [ -0.0094215300000000, 0.0000785100000000, -0.0039453600000000 ] - [ 0.0057851800000000, 0.0000000000000000, -0.0055516200000000 ] - [ -0.0106445500000000, -0.0014879500000000, 0.0044616700000000 ] - [ -0.0106445500000000, 0.0014879500000000, 0.0044616700000000 ] - [ -0.0230215200000000, 0.0000000000000000, 0.0071412900000000 ] - [ -0.0042477400000000, 0.0004361800000000, 0.0068729500000000 ] - [ -0.0042477400000000, -0.0004361800000000, 0.0068729500000000 ] - [ 0.0128675700000000, 0.0000000000000000, 0.0136548400000000 ] - [ -0.0054491300000000, -0.0019553100000000, 0.0058187900000000 ] - [ -0.0054491300000000, 0.0019553100000000, 0.0058187900000000 ] - [ -0.0064564100000000, 0.0000000000000000, 0.0068227000000000 ] - [ -0.0064501600000000, -0.0000832700000000, 0.0062453100000000 ] - [ -0.0064501600000000, 0.0000832700000000, 0.0062453100000000 ] - [ -0.0074205500000000, 0.0000000000000000, 0.0022437500000000 ] - [ -0.0074683200000000, -0.0003936600000000, 0.0047867000000000 ] - [ -0.0074683200000000, 0.0003936600000000, 0.0047867000000000 ] - [ -0.0211128700000000, 0.0000000000000000, 0.0057287300000000 ] - [ -0.0075728600000000, 0.0005352300000000, 0.0050629000000000 ] - [ -0.0075728600000000, -0.0005352300000000, 0.0050629000000000 ] - [ -0.0068509900000000, 0.0000000000000000, 0.0042950600000000 ] - [ -0.0069513000000000, -0.0001083300000000, 0.0044248000000000 ] - [ -0.0069513000000000, 0.0001083300000000, 0.0044248000000000 ] - [ -0.0082442900000000, 0.0000000000000000, 0.0046295300000000 ] - [ -0.0087572400000000, -0.0003483500000000, 0.0023295900000000 ] - [ -0.0087572400000000, 0.0003483500000000, 0.0023295900000000 ] - [ -0.0069532200000000, 0.0000000000000000, 0.0051082400000000 ] - [ -0.0070028800000000, -0.0000611500000000, 0.0051201600000000 ] - [ -0.0070028800000000, 0.0000611500000000, 0.0051201600000000 ]- atom: 31 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0018040700000000, -0.0027542200000000, 0.0000114300000000 ] - [ 0.0018040700000000, 0.0027542200000000, 0.0000114300000000 ] - [ -0.0003670600000000, 0.0000000000000000, -0.0001128200000000 ] - [ 0.0001169700000000, -0.0003978100000000, -0.0001049600000000 ] - [ 0.0001169700000000, 0.0003978100000000, -0.0001049600000000 ] - [ -0.0000556500000000, 0.0000000000000000, 0.0001386100000000 ] - [ -0.0005514900000000, 0.0002163300000000, 0.0006442800000000 ] - [ -0.0005514900000000, -0.0002163300000000, 0.0006442800000000 ] - [ -0.0002291100000000, 0.0000000000000000, 0.0004404100000000 ] - [ 0.0081489400000000, 0.0042455100000000, -0.0050146300000000 ] - [ 0.0081489400000000, -0.0042455100000000, -0.0050146300000000 ] - [ 0.0047024500000000, 0.0000000000000000, -0.0034957400000000 ] - [ 0.0135597700000000, 0.0032553000000000, -0.0025470000000000 ] - [ 0.0135597700000000, -0.0032553000000000, -0.0025470000000000 ] - [ 0.0098614500000000, 0.0000000000000000, -0.0035895700000000 ] - [ -0.0002602500000000, -0.0002159700000000, -0.0077397100000000 ] - [ -0.0002602500000000, 0.0002159700000000, -0.0077397100000000 ] - [ 0.0012958600000000, 0.0000000000000000, -0.0075313900000000 ] - [ -0.0008613300000000, 0.0000000000000000, -0.0085970900000000 ] - [ -0.0005686000000000, -0.0003568400000000, -0.0012722000000000 ] - [ -0.0005686000000000, 0.0003568400000000, -0.0012722000000000 ] - [ -0.0089274500000000, 0.0000000000000000, -0.0091211000000000 ] - [ 0.0013642600000000, -0.0002138700000000, 0.0003502800000000 ] - [ 0.0013642600000000, 0.0002138700000000, 0.0003502800000000 ] - [ -0.0053931700000000, 0.0000000000000000, -0.0026528200000000 ] - [ -0.0019982000000000, 0.0015310200000000, -0.0021808800000000 ] - [ -0.0019982000000000, -0.0015310200000000, -0.0021808800000000 ] - [ -0.0084510900000000, 0.0000000000000000, 0.0139664100000000 ] - [ 0.0023628200000000, 0.0003998700000000, 0.0008144300000000 ] - [ 0.0023628200000000, -0.0003998700000000, 0.0008144300000000 ] - [ 0.0631482500000000, 0.0000000000000000, -0.0061255600000000 ] - [ 0.0011902200000000, 0.0004462000000000, -0.0011001900000000 ] - [ 0.0011902200000000, -0.0004462000000000, -0.0011001900000000 ] - [ 0.0013813600000000, 0.0000000000000000, -0.0001668900000000 ] - [ 0.0021174900000000, -0.0000945000000000, -0.0000632100000000 ] - [ 0.0021174900000000, 0.0000945000000000, -0.0000632100000000 ] - [ -0.0019018300000000, 0.0000000000000000, 0.0006206000000000 ] - [ 0.0001785400000000, -0.0000167100000000, -0.0004904500000000 ] - [ 0.0001785400000000, 0.0000167100000000, -0.0004904500000000 ] - [ -0.0004484300000000, 0.0000000000000000, -0.0015281600000000 ] - [ -0.0004959700000000, -0.0000704100000000, -0.0019943700000000 ] - [ -0.0004959700000000, 0.0000704100000000, -0.0019943700000000 ] - [ 0.0023547000000000, 0.0000000000000000, 0.0005119100000000 ] - [ 0.0024285100000000, -0.0000287900000000, 0.0005264600000000 ] - [ 0.0024285100000000, 0.0000287900000000, 0.0005264600000000 ] - [ -0.0005149400000000, 0.0000000000000000, -0.0010568500000000 ] - [ -0.0005032400000000, -0.0000226200000000, -0.0010288800000000 ] - [ -0.0005032400000000, 0.0000226200000000, -0.0010288800000000 ] - [ 0.0032112900000000, 0.0000000000000000, 0.0004487700000000 ] - [ 0.0027550000000000, -0.0000269100000000, 0.0005686600000000 ] - [ 0.0027550000000000, 0.0000269100000000, 0.0005686600000000 ] - [ 0.0002334200000000, 0.0000000000000000, -0.0023518600000000 ] - [ 0.0001450500000000, -0.0000739200000000, -0.0015488900000000 ] - [ 0.0001450500000000, 0.0000739200000000, -0.0015488900000000 ] - [ 0.0021612500000000, 0.0000000000000000, -0.0001515100000000 ] - [ 0.0027835000000000, -0.0000460000000000, -0.0004329200000000 ] - [ 0.0027835000000000, 0.0000460000000000, -0.0004329200000000 ] - [ -0.0003443800000000, 0.0000000000000000, -0.0015621100000000 ] - [ -0.0002874700000000, -0.0000208800000000, -0.0016097500000000 ] - [ -0.0002874700000000, 0.0000208800000000, -0.0016097500000000 ] - [ -0.0164565200000000, 0.0000000000000000, 0.0125556400000000 ] - [ 0.0008114800000000, -0.0001765600000000, -0.0002528100000000 ] - [ 0.0008114800000000, 0.0001765600000000, -0.0002528100000000 ] - [ -0.0019448700000000, 0.0000000000000000, -0.0015803900000000 ] - [ 0.0003153300000000, 0.0000239700000000, -0.0012571100000000 ] - [ 0.0003153300000000, -0.0000239700000000, -0.0012571100000000 ] - [ 0.0025730400000000, 0.0000000000000000, -0.0002971200000000 ] - [ 0.0024775400000000, -0.0000316300000000, -0.0002700100000000 ] - [ 0.0024775400000000, 0.0000316300000000, -0.0002700100000000 ] - [ -0.0023511300000000, 0.0000000000000000, 0.0050646100000000 ] - [ -0.0001580500000000, -0.0002251200000000, -0.0023014400000000 ] - [ -0.0001580500000000, 0.0002251200000000, -0.0023014400000000 ] - [ 0.0025908400000000, 0.0000000000000000, 0.0001655800000000 ] - [ 0.0024874300000000, -0.0000250800000000, 0.0001735100000000 ] - [ 0.0024874300000000, 0.0000250800000000, 0.0001735100000000 ] - [ -0.0080366800000000, 0.0000000000000000, -0.0125731100000000 ] - [ 0.0029421400000000, 0.0001026300000000, -0.0001618000000000 ] - [ 0.0029421400000000, -0.0001026300000000, -0.0001618000000000 ] - [ 0.0056208400000000, 0.0006118100000000, -0.0036421400000000 ] - [ 0.0056208400000000, -0.0006118100000000, -0.0036421400000000 ] - [ 0.0055757200000000, 0.0000000000000000, -0.0034762800000000 ] - [ 0.0046538800000000, 0.0001524300000000, -0.0034270000000000 ] - [ 0.0046538800000000, -0.0001524300000000, -0.0034270000000000 ] - [ 0.0046560600000000, 0.0000000000000000, -0.0034219000000000 ] - [ 0.0033559600000000, -0.0004260500000000, -0.0017824000000000 ] - [ 0.0033559600000000, 0.0004260500000000, -0.0017824000000000 ] - [ 0.0047967600000000, 0.0000000000000000, -0.0022393700000000 ] - [ 0.0070186700000000, 0.0004956300000000, -0.0005112600000000 ] - [ 0.0070186700000000, -0.0004956300000000, -0.0005112600000000 ] - [ 0.0069479200000000, 0.0000000000000000, -0.0006945700000000 ] - [ 0.0046576200000000, 0.0000494600000000, -0.0042132900000000 ] - [ 0.0046576200000000, -0.0000494600000000, -0.0042132900000000 ] - [ 0.0046935600000000, 0.0000000000000000, -0.0042090100000000 ] - [ 0.0051934200000000, 0.0000669600000000, -0.0040115500000000 ] - [ 0.0051934200000000, -0.0000669600000000, -0.0040115500000000 ] - [ 0.0051974200000000, 0.0000000000000000, -0.0040137000000000 ] - [ 0.0068376900000000, 0.0000891400000000, 0.0042310500000000 ] - [ 0.0068376900000000, -0.0000891400000000, 0.0042310500000000 ] - [ 0.0068725000000000, 0.0000000000000000, 0.0042411900000000 ] - [ -0.0046489900000000, -0.0015823300000000, -0.0001678900000000 ] - [ -0.0046489900000000, 0.0015823300000000, -0.0001678900000000 ] - [ 0.0000602300000000, 0.0000000000000000, 0.0000826100000000 ] - [ 0.0004471300000000, -0.0009405700000000, 0.0005875200000000 ] - [ 0.0004471300000000, 0.0009405700000000, 0.0005875200000000 ] - [ -0.0001033700000000, 0.0000000000000000, -0.0000779900000000 ] - [ -0.0002796100000000, -0.0000996200000000, -0.0001343700000000 ] - [ -0.0002796100000000, 0.0000996200000000, -0.0001343700000000 ] - [ -0.0003358500000000, 0.0000000000000000, -0.0001862300000000 ] - [ -0.0009304000000000, 0.0004042500000000, -0.0008168400000000 ] - [ -0.0009304000000000, -0.0004042500000000, -0.0008168400000000 ] - [ -0.0002327500000000, 0.0000000000000000, -0.0002784000000000 ] - [ -0.0007022200000000, -0.0000809800000000, 0.0000356100000000 ] - [ -0.0007022200000000, 0.0000809800000000, 0.0000356100000000 ] - [ -0.0006418000000000, 0.0000000000000000, -0.0000018900000000 ] - [ 0.0001787300000000, -0.0000986200000000, 0.0000275700000000 ] - [ 0.0001787300000000, 0.0000986200000000, 0.0000275700000000 ] - [ 0.0001403200000000, 0.0000000000000000, 0.0000803400000000 ] - [ -0.0007193800000000, -0.0000708000000000, -0.0001295500000000 ] - [ -0.0007193800000000, 0.0000708000000000, -0.0001295500000000 ] - [ -0.0006652200000000, 0.0000000000000000, -0.0001068700000000 ] - [ -0.0091058600000000, 0.0000000000000000, -0.0023521500000000 ] - [ -0.0094528900000000, 0.0000782400000000, -0.0026637300000000 ] - [ -0.0094528900000000, -0.0000782400000000, -0.0026637300000000 ] - [ -0.0283322000000000, 0.0000000000000000, 0.0159970800000000 ] - [ -0.0117223800000000, 0.0015355100000000, 0.0059230100000000 ] - [ -0.0117223800000000, -0.0015355100000000, 0.0059230100000000 ] - [ 0.0160790700000000, 0.0000000000000000, 0.0099268500000000 ] - [ -0.0026701700000000, -0.0004519400000000, 0.0101355700000000 ] - [ -0.0026701700000000, 0.0004519400000000, 0.0101355700000000 ] - [ -0.0249500700000000, 0.0000000000000000, -0.0039408400000000 ] - [ -0.0064903200000000, 0.0019844300000000, 0.0040058400000000 ] - [ -0.0064903200000000, -0.0019844300000000, 0.0040058400000000 ] - [ -0.0063399000000000, 0.0000000000000000, 0.0046810800000000 ] - [ -0.0063396300000000, 0.0000802800000000, 0.0052743400000000 ] - [ -0.0063396300000000, -0.0000802800000000, 0.0052743400000000 ] - [ -0.0076244800000000, 0.0000000000000000, 0.0073214900000000 ] - [ -0.0075762700000000, 0.0003972600000000, 0.0047640600000000 ] - [ -0.0075762700000000, -0.0003972600000000, 0.0047640600000000 ] - [ 0.0075944900000000, 0.0000000000000000, 0.0014962400000000 ] - [ -0.0059327200000000, -0.0005491400000000, 0.0021985600000000 ] - [ -0.0059327200000000, 0.0005491400000000, 0.0021985600000000 ] - [ -0.0070642200000000, 0.0000000000000000, 0.0046615500000000 ] - [ -0.0069590900000000, 0.0001087100000000, 0.0045324800000000 ] - [ -0.0069590900000000, -0.0001087100000000, 0.0045324800000000 ] - [ -0.0092865500000000, 0.0000000000000000, 0.0003265500000000 ] - [ -0.0087659800000000, 0.0003545800000000, 0.0026717700000000 ] - [ -0.0087659800000000, -0.0003545800000000, 0.0026717700000000 ] - [ -0.0070476400000000, 0.0000000000000000, 0.0051911900000000 ] - [ -0.0069968700000000, 0.0000620000000000, 0.0051821300000000 ] - [ -0.0069968700000000, -0.0000620000000000, 0.0051821300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023886400000000, -0.0009541400000000, 0.0000968700000000 ] - [ -0.0034677900000000, -0.0009394100000000, -0.0002306800000000 ] - [ -0.0005355300000000, -0.0008671700000000, -0.0000662200000000 ] - [ 0.0002834700000000, 0.0002718600000000, -0.0003638100000000 ] - [ -0.0005468000000000, 0.0002838200000000, 0.0004825500000000 ] - [ -0.0001334200000000, -0.0004876400000000, 0.0000598900000000 ] - [ -0.0006135100000000, 0.0002981600000000, -0.0002551200000000 ] - [ 0.0003016900000000, 0.0003101900000000, 0.0008792600000000 ] - [ -0.0001545000000000, -0.0004975500000000, 0.0003126800000000 ] - [ 0.0032197400000000, 0.0096775100000000, -0.0167767100000000 ] - [ 0.0057770300000000, 0.0097560400000000, 0.0095670200000000 ] - [ 0.0044875900000000, 0.0043470900000000, -0.0036947900000000 ] - [ 0.0081512600000000, 0.0115751800000000, 0.0112183400000000 ] - [ 0.0111419600000000, 0.0116701000000000, -0.0183327100000000 ] - [ 0.0096360200000000, 0.0055672200000000, -0.0034516400000000 ] - [ 0.0018170900000000, -0.0014005200000000, -0.0065394500000000 ] - [ 0.0009367700000000, -0.0014313700000000, -0.0079003300000000 ] - [ 0.0013787700000000, 0.0028146900000000, -0.0072177700000000 ] - [ -0.0006390500000000, 0.0006810000000000, -0.0013757200000000 ] - [ -0.0006556400000000, 0.0014943400000000, 0.0012426800000000 ] - [ -0.0006382500000000, 0.0014891600000000, -0.0038118300000000 ] - [ 0.0019367000000000, -0.0036386100000000, 0.0002440700000000 ] - [ 0.0030262600000000, 0.0008497400000000, 0.0006935600000000 ] - [ 0.0009207200000000, 0.0008520700000000, -0.0001751900000000 ] - [ -0.0003272900000000, -0.0022807600000000, -0.0019796500000000 ] - [ -0.0018499200000000, 0.0020778500000000, -0.0021923400000000 ] - [ 0.0011892900000000, 0.0020548600000000, -0.0017669500000000 ] - [ 0.0019971600000000, -0.0045545300000000, 0.0000167000000000 ] - [ 0.0010092600000000, 0.0012644100000000, 0.0008788700000000 ] - [ 0.0028799700000000, 0.0012624900000000, -0.0007580300000000 ] - [ 0.0004202200000000, -0.0669797600000000, -0.0013557900000000 ] - [ 0.0004019200000000, 0.0026096000000000, -0.0012400000000000 ] - [ -0.0004903300000000, 0.0026028900000000, -0.0014167800000000 ] - [ 0.0022751800000000, -0.0002488000000000, -0.0000947700000000 ] - [ 0.0024564800000000, 0.0001157400000000, 0.0001406600000000 ] - [ 0.0021033400000000, 0.0001188700000000, -0.0003212500000000 ] - [ 0.0003447400000000, -0.0004574400000000, -0.0012404900000000 ] - [ 0.0003428700000000, 0.0002725600000000, -0.0003936700000000 ] - [ 0.0003440300000000, 0.0002763200000000, -0.0020588900000000 ] - [ -0.0005026200000000, 0.0000021400000000, -0.0019336500000000 ] - [ -0.0005425000000000, 0.0001515400000000, -0.0023113200000000 ] - [ -0.0004685700000000, 0.0001548200000000, -0.0015822100000000 ] - [ 0.0024805700000000, -0.0000717500000000, 0.0005399800000000 ] - [ 0.0025058800000000, 0.0000344700000000, 0.0005341500000000 ] - [ 0.0024589000000000, 0.0000362000000000, 0.0005452800000000 ] - [ -0.0004780300000000, -0.0001093600000000, -0.0011580600000000 ] - [ -0.0004773600000000, 0.0000550300000000, -0.0009619000000000 ] - [ -0.0004781900000000, 0.0000571400000000, -0.0013479400000000 ] - [ 0.0026097500000000, -0.0002959300000000, 0.0004394000000000 ] - [ 0.0024955500000000, 0.0001278300000000, 0.0006488100000000 ] - [ 0.0027145200000000, 0.0001310200000000, 0.0002385400000000 ] - [ 0.0001342400000000, -0.0000065500000000, -0.0015169900000000 ] - [ 0.0001143900000000, 0.0001395800000000, -0.0011904000000000 ] - [ 0.0001489600000000, 0.0001418700000000, -0.0018246400000000 ] - [ 0.0029302700000000, -0.0002068200000000, -0.0003451400000000 ] - [ 0.0030849500000000, 0.0000751200000000, -0.0006281900000000 ] - [ 0.0027859700000000, 0.0000784000000000, -0.0000757800000000 ] - [ -0.0002821000000000, -0.0001009300000000, -0.0014117700000000 ] - [ -0.0002724700000000, 0.0000510500000000, -0.0016559600000000 ] - [ -0.0002909100000000, 0.0000529800000000, -0.0011771900000000 ] - [ 0.0013698200000000, -0.0046943300000000, -0.0001665000000000 ] - [ 0.0025402600000000, 0.0008532700000000, -0.0004816500000000 ] - [ 0.0002979900000000, 0.0008553900000000, 0.0001133000000000 ] - [ 0.0004176300000000, -0.0002237400000000, -0.0004468200000000 ] - [ 0.0004445600000000, 0.0001823500000000, -0.0013966700000000 ] - [ 0.0003925000000000, 0.0001850800000000, 0.0004706500000000 ] - [ 0.0023542300000000, -0.0002013100000000, -0.0001614900000000 ] - [ 0.0021979300000000, 0.0000928600000000, -0.0004292900000000 ] - [ 0.0024999200000000, 0.0000958500000000, 0.0000945200000000 ] - [ -0.0001279000000000, 0.0017164100000000, -0.0019383300000000 ] - [ 0.0000393900000000, 0.0016146800000000, -0.0050734200000000 ] - [ -0.0002878000000000, 0.0016074400000000, 0.0009071700000000 ] - [ 0.0024326900000000, -0.0000742100000000, 0.0001866200000000 ] - [ 0.0024132700000000, 0.0000315300000000, 0.0001743500000000 ] - [ 0.0024470400000000, 0.0000329200000000, 0.0001980600000000 ] - [ 0.0024630700000000, -0.0043293700000000, 0.0002928900000000 ] - [ 0.0012195300000000, 0.0011502400000000, -0.0001731700000000 ] - [ 0.0036006400000000, 0.0011495900000000, 0.0006901800000000 ] - [ 0.0055022900000000, -0.0003879000000000, -0.0037489000000000 ] - [ 0.0055519000000000, -0.0004088600000000, -0.0031871300000000 ] - [ 0.0055270800000000, 0.0012304800000000, -0.0034642800000000 ] - [ 0.0046463700000000, -0.0000851000000000, -0.0033977600000000 ] - [ 0.0046533000000000, -0.0000931700000000, -0.0034149000000000 ] - [ 0.0046499200000000, 0.0002882800000000, -0.0034066700000000 ] - [ 0.0054930700000000, -0.0011826500000000, -0.0034402500000000 ] - [ 0.0043921900000000, -0.0012093700000000, -0.0017060600000000 ] - [ 0.0049466900000000, 0.0023573800000000, -0.0025770500000000 ] - [ 0.0069369500000000, -0.0003267300000000, -0.0003030000000000 ] - [ 0.0069090600000000, -0.0003524500000000, -0.0010376600000000 ] - [ 0.0069225000000000, 0.0012985900000000, -0.0006754500000000 ] - [ 0.0047093200000000, -0.0002826300000000, -0.0045179400000000 ] - [ 0.0047294600000000, -0.0002931300000000, -0.0041482200000000 ] - [ 0.0047196700000000, 0.0005795900000000, -0.0043324400000000 ] - [ 0.0051978800000000, -0.0001033700000000, -0.0039945600000000 ] - [ 0.0052062700000000, -0.0001077700000000, -0.0040036000000000 ] - [ 0.0052021900000000, 0.0002119000000000, -0.0039991700000000 ] - [ 0.0068632000000000, -0.0002986300000000, 0.0044419200000000 ] - [ 0.0068906600000000, -0.0003107800000000, 0.0042917200000000 ] - [ 0.0068772200000000, 0.0006123400000000, 0.0043658800000000 ] - [ 0.0016776000000000, 0.0071743100000000, 0.0000935400000000 ] - [ -0.0012110000000000, 0.0075854300000000, 0.0001463000000000 ] - [ 0.0004322500000000, -0.0021698600000000, 0.0001076900000000 ] - [ 0.0005427600000000, 0.0005470300000000, 0.0009981300000000 ] - [ -0.0011474000000000, 0.0005684600000000, -0.0008235100000000 ] - [ -0.0003039100000000, -0.0009274100000000, 0.0000858700000000 ] - [ -0.0003705900000000, 0.0001032000000000, -0.0000782900000000 ] - [ -0.0004199800000000, 0.0001081900000000, -0.0002594900000000 ] - [ -0.0003962100000000, -0.0002135600000000, -0.0001701000000000 ] - [ -0.0009099100000000, 0.0005125500000000, 0.0012382100000000 ] - [ 0.0008376900000000, 0.0005320200000000, -0.0011478200000000 ] - [ -0.0000341300000000, -0.0009512600000000, 0.0000446800000000 ] - [ -0.0006077100000000, 0.0000972700000000, 0.0001289200000000 ] - [ -0.0005560600000000, 0.0001017900000000, -0.0000489700000000 ] - [ -0.0005813300000000, -0.0001989100000000, 0.0000380600000000 ] - [ 0.0001199300000000, 0.0001102000000000, -0.0000582100000000 ] - [ 0.0000616300000000, 0.0001161600000000, 0.0001139800000000 ] - [ 0.0000899800000000, -0.0002226700000000, 0.0000297400000000 ] - [ -0.0006444500000000, 0.0001039600000000, -0.0002415400000000 ] - [ -0.0005715900000000, 0.0001092500000000, -0.0000844000000000 ] - [ -0.0006070800000000, -0.0002125400000000, -0.0001612000000000 ] - [ -0.0094356800000000, 0.0005873900000000, -0.0033158500000000 ] - [ -0.0095023700000000, -0.0002889600000000, -0.0024945000000000 ] - [ -0.0093725000000000, -0.0002998400000000, -0.0041076400000000 ] - [ -0.0112119200000000, 0.0186499400000000, 0.0053635100000000 ] - [ -0.0118995400000000, -0.0114077500000000, 0.0075480600000000 ] - [ -0.0104748700000000, -0.0113679400000000, 0.0028650300000000 ] - [ -0.0034697000000000, 0.0035847800000000, 0.0085026400000000 ] - [ -0.0030411200000000, -0.0017331100000000, 0.0103613000000000 ] - [ -0.0038772100000000, -0.0017500900000000, 0.0066541400000000 ] - [ -0.0060157600000000, 0.0181483100000000, 0.0047190600000000 ] - [ -0.0067476200000000, -0.0088211600000000, 0.0032204900000000 ] - [ -0.0052015000000000, -0.0087864300000000, 0.0065869000000000 ] - [ -0.0063952400000000, 0.0006241600000000, 0.0057710100000000 ] - [ -0.0064379700000000, -0.0003108200000000, 0.0051185700000000 ] - [ -0.0063525000000000, -0.0003177100000000, 0.0063977300000000 ] - [ -0.0075227200000000, 0.0008157200000000, 0.0047994400000000 ] - [ -0.0075430500000000, -0.0006162500000000, 0.0030238000000000 ] - [ -0.0075024000000000, -0.0006328000000000, 0.0065020500000000 ] - [ -0.0067630100000000, 0.0031457000000000, 0.0036340100000000 ] - [ -0.0063280600000000, -0.0015389300000000, 0.0020204200000000 ] - [ -0.0071780000000000, -0.0015508700000000, 0.0052309200000000 ] - [ -0.0069578600000000, 0.0000990800000000, 0.0044803100000000 ] - [ -0.0069587400000000, -0.0001538500000000, 0.0044915100000000 ] - [ -0.0069523400000000, -0.0001588600000000, 0.0044688200000000 ] - [ -0.0087677600000000, 0.0010614200000000, 0.0024637800000000 ] - [ -0.0085943500000000, -0.0006840800000000, 0.0045425400000000 ] - [ -0.0089273100000000, -0.0007034500000000, 0.0004913500000000 ] - [ -0.0069999400000000, 0.0001833800000000, 0.0051512500000000 ] - [ -0.0069929500000000, -0.0000902200000000, 0.0051569800000000 ] - [ -0.0070058200000000, -0.0000949800000000, 0.0051482900000000 ]- atom: 31 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0007722500000000, 0.0002558000000000, 0.0056232600000000 ] - [ -0.0007722500000000, -0.0002558000000000, 0.0056232600000000 ] - [ -0.0005827600000000, 0.0000000000000000, 0.0021338200000000 ] - [ 0.0013219600000000, -0.0019006500000000, -0.0011723900000000 ] - [ 0.0013219600000000, 0.0019006500000000, -0.0011723900000000 ] - [ 0.0002594900000000, 0.0000000000000000, -0.0000872500000000 ] - [ -0.0014619100000000, -0.0019063500000000, -0.0011275100000000 ] - [ -0.0014619100000000, 0.0019063500000000, -0.0011275100000000 ] - [ -0.0004950400000000, 0.0000000000000000, 0.0001498000000000 ] - [ 0.0039942600000000, -0.0290905600000000, 0.0052066000000000 ] - [ 0.0039942600000000, 0.0290905600000000, 0.0052066000000000 ] - [ 0.0036727600000000, 0.0000000000000000, -0.0052726200000000 ] - [ 0.0094860400000000, 0.0331891100000000, 0.0063899500000000 ] - [ 0.0094860400000000, -0.0331891100000000, 0.0063899500000000 ] - [ 0.0107558500000000, 0.0000000000000000, -0.0057554900000000 ] - [ 0.0010111200000000, 0.0057185200000000, -0.0095798300000000 ] - [ 0.0010111200000000, -0.0057185200000000, -0.0095798300000000 ] - [ 0.0011419200000000, 0.0000000000000000, -0.0088608800000000 ] - [ -0.0034599000000000, 0.0000000000000000, 0.0301461600000000 ] - [ -0.0006221700000000, 0.0026893000000000, 0.0015483900000000 ] - [ -0.0006221700000000, -0.0026893000000000, 0.0015483900000000 ] - [ 0.0281530500000000, 0.0000000000000000, 0.0050723100000000 ] - [ 0.0038657100000000, 0.0017335100000000, -0.0010829400000000 ] - [ 0.0038657100000000, -0.0017335100000000, -0.0010829400000000 ] - [ -0.0006545900000000, 0.0000000000000000, -0.0232669600000000 ] - [ -0.0005451800000000, -0.0000103300000000, -0.0104460700000000 ] - [ -0.0005451800000000, 0.0000103300000000, -0.0104460700000000 ] - [ -0.0223467800000000, 0.0000000000000000, 0.0114928700000000 ] - [ 0.0003972100000000, 0.0016457000000000, -0.0018231400000000 ] - [ 0.0003972100000000, -0.0016457000000000, -0.0018231400000000 ] - [ 0.0036273200000000, 0.0000000000000000, -0.2336307700000000 ] - [ -0.0002897100000000, -0.0000981900000000, -0.0153760600000000 ] - [ -0.0002897100000000, 0.0000981900000000, -0.0153760600000000 ] - [ 0.0042831900000000, 0.0000000000000000, 0.0030572800000000 ] - [ 0.0028787600000000, 0.0005539500000000, 0.0012286300000000 ] - [ 0.0028787600000000, -0.0005539500000000, 0.0012286300000000 ] - [ 0.0011544800000000, 0.0000000000000000, 0.0043959500000000 ] - [ 0.0007035300000000, 0.0008180000000000, -0.0010557100000000 ] - [ 0.0007035300000000, -0.0008180000000000, -0.0010557100000000 ] - [ -0.0000746500000000, 0.0000000000000000, 0.0084374000000000 ] - [ -0.0004635400000000, -0.0004682200000000, 0.0030043200000000 ] - [ -0.0004635400000000, 0.0004682200000000, 0.0030043200000000 ] - [ 0.0024903600000000, 0.0000000000000000, 0.0029143100000000 ] - [ 0.0024816600000000, -0.0000528300000000, 0.0022209100000000 ] - [ 0.0024816600000000, 0.0000528300000000, 0.0022209100000000 ] - [ -0.0002846900000000, 0.0000000000000000, 0.0051748200000000 ] - [ -0.0003764700000000, 0.0001886800000000, 0.0029990400000000 ] - [ -0.0003764700000000, -0.0001886800000000, 0.0029990400000000 ] - [ 0.0011615600000000, 0.0000000000000000, 0.0034188300000000 ] - [ 0.0021389800000000, 0.0005630100000000, 0.0016951200000000 ] - [ 0.0021389800000000, -0.0005630100000000, 0.0016951200000000 ] - [ 0.0000152700000000, 0.0000000000000000, 0.0079932600000000 ] - [ 0.0001714700000000, 0.0003202400000000, 0.0035352700000000 ] - [ 0.0001714700000000, -0.0003202400000000, 0.0035352700000000 ] - [ 0.0006918500000000, 0.0000000000000000, 0.0031802900000000 ] - [ 0.0022632200000000, -0.0004664500000000, 0.0007521900000000 ] - [ 0.0022632200000000, 0.0004664500000000, 0.0007521900000000 ] - [ -0.0004682100000000, 0.0000000000000000, 0.0050927500000000 ] - [ -0.0003084500000000, -0.0002544900000000, 0.0024612400000000 ] - [ -0.0003084500000000, 0.0002544900000000, 0.0024612400000000 ] - [ -0.0275427400000000, 0.0000000000000000, 0.0039262200000000 ] - [ -0.0007555800000000, -0.0016271600000000, -0.0020640400000000 ] - [ -0.0007555800000000, 0.0016271600000000, -0.0020640400000000 ] - [ -0.0008756400000000, 0.0000000000000000, 0.0051953900000000 ] - [ -0.0000113900000000, -0.0005636300000000, -0.0005771900000000 ] - [ -0.0000113900000000, 0.0005636300000000, -0.0005771900000000 ] - [ 0.0046267700000000, 0.0000000000000000, 0.0030133400000000 ] - [ 0.0030064500000000, -0.0005057200000000, 0.0007353500000000 ] - [ 0.0030064500000000, 0.0005057200000000, 0.0007353500000000 ] - [ -0.0007772700000000, 0.0000000000000000, 0.0492191100000000 ] - [ -0.0002552100000000, -0.0027631500000000, 0.0002016000000000 ] - [ -0.0002552100000000, 0.0027631500000000, 0.0002016000000000 ] - [ 0.0026729900000000, 0.0000000000000000, 0.0026364900000000 ] - [ 0.0025824200000000, -0.0000157500000000, 0.0018472500000000 ] - [ 0.0025824200000000, 0.0000157500000000, 0.0018472500000000 ] - [ 0.0300122800000000, 0.0000000000000000, 0.0125491700000000 ] - [ 0.0045024500000000, -0.0018722200000000, -0.0015029700000000 ] - [ 0.0045024500000000, 0.0018722200000000, -0.0015029700000000 ] - [ 0.0054569000000000, -0.0029993300000000, -0.0007750400000000 ] - [ 0.0054569000000000, 0.0029993300000000, -0.0007750400000000 ] - [ 0.0054051000000000, 0.0000000000000000, -0.0017888400000000 ] - [ 0.0046244600000000, 0.0000865100000000, -0.0011552400000000 ] - [ 0.0046244600000000, -0.0000865100000000, -0.0011552400000000 ] - [ 0.0046362200000000, 0.0000000000000000, -0.0015314900000000 ] - [ 0.0059042600000000, -0.0045788600000000, -0.0047670800000000 ] - [ 0.0059042600000000, 0.0045788600000000, -0.0047670800000000 ] - [ 0.0052896700000000, 0.0000000000000000, -0.0040429200000000 ] - [ 0.0071506500000000, 0.0039995600000000, 0.0023955100000000 ] - [ 0.0071506500000000, -0.0039995600000000, 0.0023955100000000 ] - [ 0.0071149400000000, 0.0000000000000000, 0.0009739200000000 ] - [ 0.0047857800000000, -0.0016200100000000, -0.0026450000000000 ] - [ 0.0047857800000000, 0.0016200100000000, -0.0026450000000000 ] - [ 0.0047185300000000, 0.0000000000000000, -0.0033093200000000 ] - [ 0.0052149700000000, 0.0000588500000000, -0.0021190600000000 ] - [ 0.0052149700000000, -0.0000588500000000, -0.0021190600000000 ] - [ 0.0052126600000000, 0.0000000000000000, -0.0024367000000000 ] - [ 0.0067777800000000, 0.0020654200000000, 0.0056540900000000 ] - [ 0.0067777800000000, -0.0020654200000000, 0.0056540900000000 ] - [ 0.0068568800000000, 0.0000000000000000, 0.0051945300000000 ] - [ 0.0003810500000000, -0.0009066200000000, 0.0132871800000000 ] - [ 0.0003810500000000, 0.0009066200000000, 0.0132871800000000 ] - [ 0.0005414100000000, 0.0000000000000000, 0.0041053300000000 ] - [ -0.0027986200000000, 0.0035959000000000, -0.0027700700000000 ] - [ -0.0027986200000000, -0.0035959000000000, -0.0027700700000000 ] - [ -0.0008854600000000, 0.0000000000000000, -0.0001923800000000 ] - [ -0.0006243200000000, 0.0005103500000000, -0.0028483100000000 ] - [ -0.0006243200000000, -0.0005103500000000, -0.0028483100000000 ] - [ -0.0005233200000000, 0.0000000000000000, -0.0022017200000000 ] - [ 0.0023116600000000, 0.0030572100000000, -0.0023404500000000 ] - [ 0.0023116600000000, -0.0030572100000000, -0.0023404500000000 ] - [ 0.0005256800000000, 0.0000000000000000, -0.0000870000000000 ] - [ -0.0003730100000000, 0.0004524700000000, -0.0026273600000000 ] - [ -0.0003730100000000, -0.0004524700000000, -0.0026273600000000 ] - [ -0.0004704600000000, 0.0000000000000000, -0.0019959300000000 ] - [ 0.0004302200000000, -0.0006979000000000, -0.0028303400000000 ] - [ 0.0004302200000000, 0.0006979000000000, -0.0028303400000000 ] - [ 0.0002959900000000, 0.0000000000000000, -0.0020720800000000 ] - [ -0.0010084600000000, -0.0006636600000000, -0.0027324300000000 ] - [ -0.0010084600000000, 0.0006636600000000, -0.0027324300000000 ] - [ -0.0008496200000000, 0.0000000000000000, -0.0020674400000000 ] - [ -0.0084562600000000, 0.0000000000000000, -0.0128570700000000 ] - [ -0.0092386200000000, 0.0018367200000000, -0.0066306400000000 ] - [ -0.0092386200000000, -0.0018367200000000, -0.0066306400000000 ] - [ -0.0183226300000000, 0.0000000000000000, 0.0306202300000000 ] - [ -0.0116691700000000, 0.0189117100000000, 0.0145856400000000 ] - [ -0.0116691700000000, -0.0189117100000000, 0.0145856400000000 ] - [ -0.0037353400000000, 0.0000000000000000, 0.0222088000000000 ] - [ -0.0025949400000000, 0.0044604100000000, 0.0153365100000000 ] - [ -0.0025949400000000, -0.0044604100000000, 0.0153365100000000 ] - [ 0.0040211300000000, 0.0000000000000000, 0.0466693200000000 ] - [ -0.0053430400000000, -0.0151786200000000, 0.0130456700000000 ] - [ -0.0053430400000000, 0.0151786200000000, 0.0130456700000000 ] - [ -0.0068562600000000, 0.0000000000000000, -0.0023754800000000 ] - [ -0.0064642100000000, -0.0014383100000000, 0.0024964100000000 ] - [ -0.0064642100000000, 0.0014383100000000, 0.0024964100000000 ] - [ -0.0078074200000000, 0.0000000000000000, -0.0124768100000000 ] - [ -0.0076616100000000, -0.0022067800000000, -0.0006582400000000 ] - [ -0.0076616100000000, 0.0022067800000000, -0.0006582400000000 ] - [ -0.0081233600000000, 0.0000000000000000, 0.0152277300000000 ] - [ -0.0075320200000000, -0.0032632900000000, 0.0095950700000000 ] - [ -0.0075320200000000, 0.0032632900000000, 0.0095950700000000 ] - [ -0.0068934300000000, 0.0000000000000000, -0.0058273300000000 ] - [ -0.0069386300000000, 0.0000731900000000, -0.0020317800000000 ] - [ -0.0069386300000000, -0.0000731900000000, -0.0020317800000000 ] - [ -0.0104759600000000, 0.0000000000000000, -0.0192829500000000 ] - [ -0.0089950900000000, 0.0029668800000000, -0.0028844000000000 ] - [ -0.0089950900000000, -0.0029668800000000, -0.0028844000000000 ] - [ -0.0074012200000000, 0.0000000000000000, -0.0027235800000000 ] - [ -0.0072265100000000, 0.0000639400000000, -0.0002501300000000 ] - [ -0.0072265100000000, -0.0000639400000000, -0.0002501300000000 ]- atom: 31 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0002150500000000, -0.0003184000000000, -0.0057412600000000 ] - [ -0.0002150500000000, 0.0003184000000000, -0.0057412600000000 ] - [ -0.0004906900000000, 0.0000000000000000, -0.0022624900000000 ] - [ -0.0015969500000000, 0.0019120000000000, 0.0012771100000000 ] - [ -0.0015969500000000, -0.0019120000000000, 0.0012771100000000 ] - [ -0.0005269200000000, 0.0000000000000000, 0.0001926500000000 ] - [ 0.0011615500000000, 0.0019160900000000, 0.0017343300000000 ] - [ 0.0011615500000000, -0.0019160900000000, 0.0017343300000000 ] - [ 0.0001903700000000, 0.0000000000000000, 0.0004581900000000 ] - [ 0.0049705500000000, 0.0288305900000000, -0.0126865400000000 ] - [ 0.0049705500000000, -0.0288305900000000, -0.0126865400000000 ] - [ 0.0052965100000000, 0.0000000000000000, -0.0021363700000000 ] - [ 0.0097875600000000, -0.0334790000000000, -0.0132343500000000 ] - [ 0.0097875600000000, 0.0334790000000000, -0.0132343500000000 ] - [ 0.0085113600000000, 0.0000000000000000, -0.0011278300000000 ] - [ 0.0017591700000000, -0.0057216600000000, -0.0048209400000000 ] - [ 0.0017591700000000, 0.0057216600000000, -0.0048209400000000 ] - [ 0.0016177200000000, 0.0000000000000000, -0.0055546900000000 ] - [ 0.0021230600000000, 0.0000000000000000, -0.0323922400000000 ] - [ -0.0006743300000000, -0.0026842400000000, -0.0041697300000000 ] - [ -0.0006743300000000, 0.0026842400000000, -0.0041697300000000 ] - [ -0.0238333300000000, 0.0000000000000000, -0.0046734200000000 ] - [ 0.0000875100000000, -0.0017347600000000, 0.0015812700000000 ] - [ 0.0000875100000000, 0.0017347600000000, 0.0015812700000000 ] - [ 0.0000804400000000, 0.0000000000000000, 0.0193283300000000 ] - [ -0.0000521500000000, -0.0000325900000000, 0.0064966800000000 ] - [ -0.0000521500000000, 0.0000325900000000, 0.0064966800000000 ] - [ 0.0260952500000000, 0.0000000000000000, -0.0113849200000000 ] - [ 0.0034942600000000, -0.0016578500000000, 0.0019085700000000 ] - [ 0.0034942600000000, 0.0016578500000000, 0.0019085700000000 ] - [ -0.0060546100000000, 0.0000000000000000, 0.2317002100000000 ] - [ 0.0001663100000000, 0.0000765800000000, 0.0127193000000000 ] - [ 0.0001663100000000, -0.0000765800000000, 0.0127193000000000 ] - [ 0.0003024200000000, 0.0000000000000000, -0.0032339900000000 ] - [ 0.0016838300000000, -0.0005503600000000, -0.0014174500000000 ] - [ 0.0016838300000000, 0.0005503600000000, -0.0014174500000000 ] - [ -0.0004433700000000, 0.0000000000000000, -0.0068832600000000 ] - [ -0.0000133500000000, -0.0008164700000000, -0.0014428300000000 ] - [ -0.0000133500000000, 0.0008164700000000, -0.0014428300000000 ] - [ -0.0009425200000000, 0.0000000000000000, -0.0123757700000000 ] - [ -0.0005467900000000, 0.0004735700000000, -0.0068979300000000 ] - [ -0.0005467900000000, -0.0004735700000000, -0.0068979300000000 ] - [ 0.0024781600000000, 0.0000000000000000, -0.0018379100000000 ] - [ 0.0024848700000000, 0.0000547200000000, -0.0011429800000000 ] - [ 0.0024848700000000, -0.0000547200000000, -0.0011429800000000 ] - [ -0.0006682500000000, 0.0000000000000000, -0.0074925900000000 ] - [ -0.0005782900000000, -0.0001871400000000, -0.0053220700000000 ] - [ -0.0005782900000000, 0.0001871400000000, -0.0053220700000000 ] - [ 0.0040344200000000, 0.0000000000000000, -0.0025310700000000 ] - [ 0.0030680200000000, -0.0005602000000000, -0.0008172600000000 ] - [ 0.0030680200000000, 0.0005602000000000, -0.0008172600000000 ] - [ 0.0002447100000000, 0.0000000000000000, -0.0109980900000000 ] - [ 0.0000920400000000, -0.0003163500000000, -0.0065625700000000 ] - [ 0.0000920400000000, 0.0003163500000000, -0.0065625700000000 ] - [ 0.0052114100000000, 0.0000000000000000, -0.0038928100000000 ] - [ 0.0036152200000000, 0.0004702800000000, -0.0014472500000000 ] - [ 0.0036152200000000, -0.0004702800000000, -0.0014472500000000 ] - [ -0.0000924100000000, 0.0000000000000000, -0.0079297600000000 ] - [ -0.0002547600000000, 0.0002568700000000, -0.0052846200000000 ] - [ -0.0002547600000000, -0.0002568700000000, -0.0052846200000000 ] - [ 0.0306276300000000, 0.0000000000000000, -0.0041361600000000 ] - [ 0.0036004300000000, 0.0016230400000000, 0.0017148200000000 ] - [ 0.0036004300000000, -0.0016230400000000, 0.0017148200000000 ] - [ 0.0017203600000000, 0.0000000000000000, -0.0060736000000000 ] - [ 0.0008508200000000, 0.0005639800000000, -0.0002888700000000 ] - [ 0.0008508200000000, -0.0005639800000000, -0.0002888700000000 ] - [ 0.0000433800000000, 0.0000000000000000, -0.0033535100000000 ] - [ 0.0016850000000000, 0.0005093100000000, -0.0010608500000000 ] - [ 0.0016850000000000, -0.0005093100000000, -0.0010608500000000 ] - [ 0.0005301300000000, 0.0000000000000000, -0.0540724900000000 ] - [ 0.0000033900000000, 0.0027721000000000, -0.0043024600000000 ] - [ 0.0000033900000000, -0.0027721000000000, -0.0043024600000000 ] - [ 0.0021856800000000, 0.0000000000000000, -0.0022677200000000 ] - [ 0.0022764600000000, 0.0000176500000000, -0.0014761500000000 ] - [ 0.0022764600000000, -0.0000176500000000, -0.0014761500000000 ] - [ -0.0254684600000000, 0.0000000000000000, -0.0120898600000000 ] - [ 0.0003161200000000, 0.0018639300000000, 0.0020431200000000 ] - [ 0.0003161200000000, -0.0018639300000000, 0.0020431200000000 ] - [ 0.0055957800000000, 0.0029707800000000, -0.0061562400000000 ] - [ 0.0055957800000000, -0.0029707800000000, -0.0061562400000000 ] - [ 0.0056480100000000, 0.0000000000000000, -0.0051505500000000 ] - [ 0.0046755400000000, -0.0000943900000000, -0.0056604100000000 ] - [ 0.0046755400000000, 0.0000943900000000, -0.0056604100000000 ] - [ 0.0046635900000000, 0.0000000000000000, -0.0052835700000000 ] - [ 0.0040185900000000, 0.0045666700000000, -0.0004268600000000 ] - [ 0.0040185900000000, -0.0045666700000000, -0.0004268600000000 ] - [ 0.0046074300000000, 0.0000000000000000, -0.0011301200000000 ] - [ 0.0066934800000000, -0.0040420600000000, -0.0037500200000000 ] - [ 0.0066934800000000, 0.0040420600000000, -0.0037500200000000 ] - [ 0.0067298300000000, 0.0000000000000000, -0.0023159900000000 ] - [ 0.0046548600000000, 0.0016099200000000, -0.0060289700000000 ] - [ 0.0046548600000000, -0.0016099200000000, -0.0060289700000000 ] - [ 0.0047213500000000, 0.0000000000000000, -0.0053651100000000 ] - [ 0.0051896600000000, -0.0000652400000000, -0.0058808700000000 ] - [ 0.0051896600000000, 0.0000652400000000, -0.0058808700000000 ] - [ 0.0051918500000000, 0.0000000000000000, -0.0055626500000000 ] - [ 0.0069771300000000, -0.0020796700000000, 0.0030849500000000 ] - [ 0.0069771300000000, 0.0020796700000000, 0.0030849500000000 ] - [ 0.0068974200000000, 0.0000000000000000, 0.0035452700000000 ] - [ 0.0003280800000000, 0.0006989600000000, -0.0130525300000000 ] - [ 0.0003280800000000, -0.0006989600000000, -0.0130525300000000 ] - [ 0.0003265700000000, 0.0000000000000000, -0.0038854400000000 ] - [ 0.0021783200000000, -0.0035713400000000, 0.0029568800000000 ] - [ 0.0021783200000000, 0.0035713400000000, 0.0029568800000000 ] - [ 0.0002761500000000, 0.0000000000000000, 0.0003841400000000 ] - [ -0.0001702800000000, -0.0005050300000000, 0.0025127200000000 ] - [ -0.0001702800000000, 0.0005050300000000, 0.0025127200000000 ] - [ -0.0002704200000000, 0.0000000000000000, 0.0018689000000000 ] - [ -0.0023683400000000, -0.0030454400000000, 0.0024647700000000 ] - [ -0.0023683400000000, 0.0030454400000000, 0.0024647700000000 ] - [ -0.0005923300000000, 0.0000000000000000, 0.0001995900000000 ] - [ -0.0007866400000000, -0.0004473200000000, 0.0027102900000000 ] - [ -0.0007866400000000, 0.0004473200000000, 0.0027102900000000 ] - [ -0.0006908000000000, 0.0000000000000000, 0.0020797500000000 ] - [ -0.0002539700000000, 0.0007049000000000, 0.0028918100000000 ] - [ -0.0002539700000000, -0.0007049000000000, 0.0028918100000000 ] - [ -0.0001177400000000, 0.0000000000000000, 0.0021290600000000 ] - [ -0.0002013700000000, 0.0006704900000000, 0.0024103500000000 ] - [ -0.0002013700000000, -0.0006704900000000, 0.0024103500000000 ] - [ -0.0003618600000000, 0.0000000000000000, 0.0017424700000000 ] - [ -0.0104234700000000, 0.0000000000000000, 0.0062267700000000 ] - [ -0.0096328500000000, -0.0018485500000000, -0.0000184500000000 ] - [ -0.0096328500000000, 0.0018485500000000, -0.0000184500000000 ] - [ -0.0028647300000000, 0.0000000000000000, -0.0264722300000000 ] - [ -0.0106860400000000, -0.0189369000000000, -0.0042640100000000 ] - [ -0.0106860400000000, 0.0189369000000000, -0.0042640100000000 ] - [ -0.0032110900000000, 0.0000000000000000, -0.0053334700000000 ] - [ -0.0043460400000000, -0.0044461100000000, 0.0015820000000000 ] - [ -0.0043460400000000, 0.0044461100000000, 0.0015820000000000 ] - [ -0.0148513800000000, 0.0000000000000000, -0.0309588400000000 ] - [ -0.0065835500000000, 0.0151501100000000, -0.0031677400000000 ] - [ -0.0065835500000000, -0.0151501100000000, -0.0031677400000000 ] - [ -0.0059406900000000, 0.0000000000000000, 0.0139242600000000 ] - [ -0.0063251000000000, 0.0014295700000000, 0.0090589200000000 ] - [ -0.0063251000000000, -0.0014295700000000, 0.0090589200000000 ] - [ -0.0072362800000000, 0.0000000000000000, 0.0219389900000000 ] - [ -0.0073824700000000, 0.0021889100000000, 0.0102261400000000 ] - [ -0.0073824700000000, -0.0021889100000000, 0.0102261400000000 ] - [ -0.0055639200000000, 0.0000000000000000, -0.0078830900000000 ] - [ -0.0060008700000000, 0.0032729800000000, -0.0022653600000000 ] - [ -0.0060008700000000, -0.0032729800000000, -0.0022653600000000 ] - [ -0.0070168000000000, 0.0000000000000000, 0.0148053900000000 ] - [ -0.0069719200000000, -0.0000802200000000, 0.0110001400000000 ] - [ -0.0069719200000000, 0.0000802200000000, 0.0110001400000000 ] - [ -0.0070373100000000, 0.0000000000000000, 0.0244324100000000 ] - [ -0.0085293100000000, -0.0029954300000000, 0.0078788900000000 ] - [ -0.0085293100000000, 0.0029954300000000, 0.0078788900000000 ] - [ -0.0065986700000000, 0.0000000000000000, 0.0130358100000000 ] - [ -0.0067727200000000, -0.0000685500000000, 0.0105592000000000 ] - [ -0.0067727200000000, 0.0000685500000000, 0.0105592000000000 ]- atom: 34 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0002912900000000, -0.0000742400000000, -0.0001037100000000 ] - [ -0.0002912900000000, 0.0000742400000000, -0.0001037100000000 ] - [ -0.0004079400000000, 0.0000000000000000, -0.0000713100000000 ] - [ -0.0000649200000000, -0.0000061200000000, 0.0000407500000000 ] - [ -0.0000649200000000, 0.0000061200000000, 0.0000407500000000 ] - [ -0.0000779300000000, 0.0000000000000000, 0.0000433600000000 ] - [ -0.0002132900000000, -0.0000074700000000, 0.0002867900000000 ] - [ -0.0002132900000000, 0.0000074700000000, 0.0002867900000000 ] - [ -0.0002036200000000, 0.0000000000000000, 0.0002914200000000 ] - [ 0.0046474100000000, 0.0019557000000000, -0.0024478300000000 ] - [ 0.0046474100000000, -0.0019557000000000, -0.0024478300000000 ] - [ 0.0046177600000000, 0.0000000000000000, -0.0032971800000000 ] - [ 0.0096509700000000, 0.0001237000000000, -0.0033030300000000 ] - [ 0.0096509700000000, -0.0001237000000000, -0.0033030300000000 ] - [ 0.0096497100000000, 0.0000000000000000, -0.0033353200000000 ] - [ 0.0013750300000000, -0.0000493900000000, -0.0073001400000000 ] - [ 0.0013750300000000, 0.0000493900000000, -0.0073001400000000 ] - [ 0.0013737700000000, 0.0000000000000000, -0.0072864700000000 ] - [ 0.0107070400000000, 0.0000000000000000, 0.0288822700000000 ] - [ -0.0007154200000000, -0.0010388000000000, 0.0004662800000000 ] - [ -0.0007154200000000, 0.0010388000000000, 0.0004662800000000 ] - [ -0.0036999800000000, 0.0000000000000000, 0.0006442600000000 ] - [ 0.0009185100000000, 0.0001080500000000, 0.0001128000000000 ] - [ 0.0009185100000000, -0.0001080500000000, 0.0001128000000000 ] - [ -0.0000164500000000, 0.0000000000000000, -0.0037111400000000 ] - [ -0.0002499000000000, 0.0001304100000000, -0.0024997000000000 ] - [ -0.0002499000000000, -0.0001304100000000, -0.0024997000000000 ] - [ 0.0088180100000000, 0.0000000000000000, 0.0002393000000000 ] - [ 0.0028622000000000, -0.0000451200000000, 0.0000778500000000 ] - [ 0.0028622000000000, 0.0000451200000000, 0.0000778500000000 ] - [ 0.0008447200000000, 0.0000000000000000, 0.0006507100000000 ] - [ 0.0001115900000000, -0.0001748800000000, -0.0007304200000000 ] - [ 0.0001115900000000, 0.0001748800000000, -0.0007304200000000 ] - [ -0.2076544200000000, 0.0000000000000000, -0.0030115700000000 ] - [ -0.0032378500000000, -0.0001904800000000, -0.0002554600000000 ] - [ -0.0032378500000000, 0.0001904800000000, -0.0002554600000000 ] - [ 0.0137429400000000, 0.0000000000000000, -0.0283484000000000 ] - [ 0.0001279600000000, 0.0009751400000000, -0.0030210900000000 ] - [ 0.0001279600000000, -0.0009751400000000, -0.0030210900000000 ] - [ 0.0000743900000000, 0.0000000000000000, -0.0034705300000000 ] - [ -0.0004239200000000, -0.0001412400000000, -0.0023558600000000 ] - [ -0.0004239200000000, 0.0001412400000000, -0.0023558600000000 ] - [ -0.0027649900000000, 0.0000000000000000, 0.0003891700000000 ] - [ 0.0015453600000000, 0.0001666000000000, 0.0006889700000000 ] - [ 0.0015453600000000, -0.0001666000000000, 0.0006889700000000 ] - [ 0.0138923700000000, 0.0000000000000000, 0.0251908600000000 ] - [ -0.0005675200000000, 0.0009875500000000, 0.0002938400000000 ] - [ -0.0005675200000000, -0.0009875500000000, 0.0002938400000000 ] - [ 0.0700918900000000, 0.0000000000000000, 0.0004498300000000 ] - [ 0.0089270000000000, 0.0001577200000000, 0.0003690200000000 ] - [ 0.0089270000000000, -0.0001577200000000, 0.0003690200000000 ] - [ 0.0121998200000000, 0.0000000000000000, -0.0289281600000000 ] - [ 0.0001213800000000, -0.0009213600000000, -0.0033786700000000 ] - [ 0.0001213800000000, 0.0009213600000000, -0.0033786700000000 ] - [ 0.0026171300000000, 0.0000000000000000, -0.0003390100000000 ] - [ 0.0027278800000000, -0.0000095300000000, -0.0003206700000000 ] - [ 0.0027278800000000, 0.0000095300000000, -0.0003206700000000 ] - [ -0.0000773300000000, 0.0000000000000000, 0.0005020800000000 ] - [ -0.0002698000000000, 0.0001483600000000, -0.0008312800000000 ] - [ -0.0002698000000000, -0.0001483600000000, -0.0008312800000000 ] - [ 0.0010708900000000, 0.0000000000000000, -0.0000989800000000 ] - [ 0.0011985000000000, -0.0000092800000000, -0.0001633600000000 ] - [ 0.0011985000000000, 0.0000092800000000, -0.0001633600000000 ] - [ 0.0002933800000000, 0.0000000000000000, -0.0003083000000000 ] - [ 0.0003731200000000, 0.0000179900000000, -0.0003665900000000 ] - [ 0.0003731200000000, -0.0000179900000000, -0.0003665900000000 ] - [ 0.0026225100000000, 0.0000000000000000, -0.0001282900000000 ] - [ 0.0025244000000000, 0.0000016200000000, -0.0001307700000000 ] - [ 0.0025244000000000, -0.0000016200000000, -0.0001307700000000 ] - [ -0.0000600200000000, 0.0000000000000000, -0.0018718800000000 ] - [ -0.0001247700000000, -0.0000243500000000, -0.0019519100000000 ] - [ -0.0001247700000000, 0.0000243500000000, -0.0019519100000000 ] - [ 0.0095413000000000, 0.0000000000000000, 0.0003302400000000 ] - [ 0.0033671200000000, 0.0000151000000000, 0.0002002600000000 ] - [ 0.0033671200000000, -0.0000151000000000, 0.0002002600000000 ] - [ 0.0027628600000000, 0.0000000000000000, 0.0003500000000000 ] - [ 0.0026202900000000, -0.0000058200000000, 0.0002791100000000 ] - [ 0.0026202900000000, 0.0000058200000000, 0.0002791100000000 ] - [ 0.0169581300000000, 0.0267269000000000, -0.0040320400000000 ] - [ 0.0169581300000000, -0.0267269000000000, -0.0040320400000000 ] - [ 0.0062576500000000, 0.0000000000000000, -0.0037336800000000 ] - [ 0.0046915600000000, 0.0016020000000000, -0.0043553600000000 ] - [ 0.0046915600000000, -0.0016020000000000, -0.0043553600000000 ] - [ 0.0047012100000000, 0.0000000000000000, -0.0037789900000000 ] - [ 0.0049607100000000, -0.0015363000000000, -0.0037314100000000 ] - [ 0.0049607100000000, 0.0015363000000000, -0.0037314100000000 ] - [ 0.0049236500000000, 0.0000000000000000, -0.0029632800000000 ] - [ 0.0069297900000000, 0.0001042200000000, -0.0007236000000000 ] - [ 0.0069297900000000, -0.0001042200000000, -0.0007236000000000 ] - [ 0.0069280400000000, 0.0000000000000000, -0.0007134000000000 ] - [ 0.0179962500000000, -0.0240303700000000, -0.0041023200000000 ] - [ 0.0179962500000000, 0.0240303700000000, -0.0041023200000000 ] - [ 0.0046530800000000, 0.0000000000000000, -0.0041681900000000 ] - [ 0.0051514500000000, -0.0016970500000000, -0.0029695200000000 ] - [ 0.0051514500000000, 0.0016970500000000, -0.0029695200000000 ] - [ 0.0051460900000000, 0.0000000000000000, -0.0036557100000000 ] - [ 0.0068448300000000, -0.0000865800000000, 0.0044898400000000 ] - [ 0.0068448300000000, 0.0000865800000000, 0.0044898400000000 ] - [ 0.0068531800000000, 0.0000000000000000, 0.0044698600000000 ] - [ -0.0001998500000000, 0.0000227800000000, 0.0001384900000000 ] - [ -0.0001998500000000, -0.0000227800000000, 0.0001384900000000 ] - [ 0.0000859600000000, 0.0000000000000000, 0.0001194600000000 ] - [ 0.0078679200000000, 0.0015467600000000, 0.0020504700000000 ] - [ 0.0078679200000000, -0.0015467600000000, 0.0020504700000000 ] - [ 0.0007307700000000, 0.0000000000000000, -0.0000183400000000 ] - [ 0.0078797800000000, 0.0021437100000000, -0.0019462100000000 ] - [ 0.0078797800000000, -0.0021437100000000, -0.0019462100000000 ] - [ 0.0004847000000000, 0.0000000000000000, 0.0000692800000000 ] - [ -0.0056907400000000, -0.0003772200000000, -0.0001343500000000 ] - [ -0.0056907400000000, 0.0003772200000000, -0.0001343500000000 ] - [ -0.0009928600000000, 0.0000000000000000, 0.0001844100000000 ] - [ -0.0057533700000000, -0.0000109000000000, 0.0002668500000000 ] - [ -0.0057533700000000, 0.0000109000000000, 0.0002668500000000 ] - [ -0.0014414100000000, 0.0000000000000000, -0.0000012700000000 ] - [ 0.0005931200000000, -0.0000781900000000, -0.0000119500000000 ] - [ 0.0005931200000000, 0.0000781900000000, -0.0000119500000000 ] - [ 0.0003525000000000, 0.0000000000000000, -0.0000275400000000 ] - [ -0.0011626400000000, 0.0000742600000000, -0.0002846300000000 ] - [ -0.0011626400000000, -0.0000742600000000, -0.0002846300000000 ] - [ -0.0009030500000000, 0.0000000000000000, -0.0002223400000000 ] - [ -0.0092366600000000, 0.0000000000000000, -0.0040708400000000 ] - [ -0.0093678400000000, -0.0000519800000000, -0.0037186800000000 ] - [ -0.0093678400000000, 0.0000519800000000, -0.0037186800000000 ] - [ -0.0111263300000000, 0.0000000000000000, 0.0042024300000000 ] - [ -0.0111268700000000, 0.0000934000000000, 0.0047542400000000 ] - [ -0.0111268700000000, -0.0000934000000000, 0.0047542400000000 ] - [ -0.0033607500000000, 0.0000000000000000, 0.0089093400000000 ] - [ -0.0034137800000000, -0.0000250900000000, 0.0087245300000000 ] - [ -0.0034137800000000, 0.0000250900000000, 0.0087245300000000 ] - [ -0.0061902300000000, 0.0000000000000000, -0.0092581200000000 ] - [ -0.0057706600000000, 0.0011508200000000, 0.0036526400000000 ] - [ -0.0057706600000000, -0.0011508200000000, 0.0036526400000000 ] - [ -0.0304176300000000, 0.0000000000000000, 0.0031831000000000 ] - [ -0.0067187300000000, -0.0121076900000000, 0.0061054700000000 ] - [ -0.0067187300000000, 0.0121076900000000, 0.0061054700000000 ] - [ 0.0432815600000000, 0.0000000000000000, 0.0085618900000000 ] - [ -0.0070097900000000, 0.0129441100000000, 0.0047900000000000 ] - [ -0.0070097900000000, -0.0129441100000000, 0.0047900000000000 ] - [ -0.0078168100000000, 0.0000000000000000, 0.0167182000000000 ] - [ -0.0069714600000000, -0.0009448600000000, 0.0049422100000000 ] - [ -0.0069714600000000, 0.0009448600000000, 0.0049422100000000 ] - [ -0.0072333600000000, 0.0000000000000000, 0.0182513800000000 ] - [ -0.0068268900000000, 0.0008771900000000, 0.0057675600000000 ] - [ -0.0068268900000000, -0.0008771900000000, 0.0057675600000000 ] - [ -0.0087328000000000, 0.0000000000000000, 0.0029181700000000 ] - [ -0.0087278100000000, 0.0000579700000000, 0.0026355500000000 ] - [ -0.0087278100000000, -0.0000579700000000, 0.0026355500000000 ] - [ -0.0085214000000000, 0.0000000000000000, -0.0084781300000000 ] - [ -0.0072646100000000, -0.0010584800000000, 0.0039097000000000 ] - [ -0.0072646100000000, 0.0010584800000000, 0.0039097000000000 ]- atom: 34 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0007782500000000, 0.0000769900000000, -0.0000278500000000 ] - [ -0.0007782500000000, -0.0000769900000000, -0.0000278500000000 ] - [ -0.0006619400000000, 0.0000000000000000, -0.0000590900000000 ] - [ -0.0001996900000000, 0.0000070200000000, 0.0000780300000000 ] - [ -0.0001996900000000, -0.0000070200000000, 0.0000780300000000 ] - [ -0.0001871700000000, 0.0000000000000000, 0.0000743200000000 ] - [ -0.0000992700000000, 0.0000083200000000, 0.0003376200000000 ] - [ -0.0000992700000000, -0.0000083200000000, 0.0003376200000000 ] - [ -0.0001083200000000, 0.0000000000000000, 0.0003314200000000 ] - [ 0.0043411600000000, -0.0019748200000000, -0.0049481500000000 ] - [ 0.0043411600000000, 0.0019748200000000, -0.0049481500000000 ] - [ 0.0043605900000000, 0.0000000000000000, -0.0041022100000000 ] - [ 0.0096219600000000, -0.0001289800000000, -0.0035882500000000 ] - [ 0.0096219600000000, 0.0001289800000000, -0.0035882500000000 ] - [ 0.0096230600000000, 0.0000000000000000, -0.0035548600000000 ] - [ 0.0013828500000000, 0.0000431400000000, -0.0071325200000000 ] - [ 0.0013828500000000, -0.0000431400000000, -0.0071325200000000 ] - [ 0.0013840300000000, 0.0000000000000000, -0.0071450300000000 ] - [ -0.0118349700000000, 0.0000000000000000, -0.0318103600000000 ] - [ -0.0005645600000000, 0.0010335000000000, -0.0030683900000000 ] - [ -0.0005645600000000, -0.0010335000000000, -0.0030683900000000 ] - [ 0.0076363100000000, 0.0000000000000000, -0.0001426400000000 ] - [ 0.0030232200000000, -0.0001223500000000, 0.0004165100000000 ] - [ 0.0030232200000000, 0.0001223500000000, 0.0004165100000000 ] - [ -0.0006138200000000, 0.0000000000000000, -0.0002855600000000 ] - [ -0.0003894900000000, -0.0001274500000000, -0.0014616400000000 ] - [ -0.0003894900000000, 0.0001274500000000, -0.0014616400000000 ] - [ -0.0048856600000000, 0.0000000000000000, -0.0001621900000000 ] - [ 0.0010343700000000, 0.0000502600000000, 0.0000298100000000 ] - [ 0.0010343700000000, -0.0000502600000000, 0.0000298100000000 ] - [ -0.0009405900000000, 0.0000000000000000, -0.0033323700000000 ] - [ -0.0002091200000000, 0.0001773100000000, -0.0019246500000000 ] - [ -0.0002091200000000, -0.0001773100000000, -0.0019246500000000 ] - [ 0.2164358200000000, 0.0000000000000000, 0.0034108700000000 ] - [ 0.0077884300000000, 0.0001827500000000, 0.0000813100000000 ] - [ 0.0077884300000000, -0.0001827500000000, 0.0000813100000000 ] - [ -0.0130625400000000, 0.0000000000000000, 0.0253915100000000 ] - [ 0.0005421700000000, -0.0009758500000000, 0.0005410200000000 ] - [ 0.0005421700000000, 0.0009758500000000, 0.0005410200000000 ] - [ -0.0010794700000000, 0.0000000000000000, -0.0004255500000000 ] - [ -0.0005846300000000, 0.0001408500000000, -0.0015438300000000 ] - [ -0.0005846300000000, -0.0001408500000000, -0.0015438300000000 ] - [ 0.0077152800000000, 0.0000000000000000, 0.0006746800000000 ] - [ 0.0034204900000000, -0.0001854200000000, 0.0003712400000000 ] - [ 0.0034204900000000, 0.0001854200000000, 0.0003712400000000 ] - [ -0.0148360600000000, 0.0000000000000000, -0.0271162800000000 ] - [ -0.0004080500000000, -0.0009946200000000, -0.0025814200000000 ] - [ -0.0004080500000000, 0.0009946200000000, -0.0025814200000000 ] - [ -0.0646586800000000, 0.0000000000000000, 0.0004551100000000 ] - [ -0.0036765100000000, -0.0001413900000000, 0.0005201600000000 ] - [ -0.0036765100000000, 0.0001413900000000, 0.0005201600000000 ] - [ -0.0117980000000000, 0.0000000000000000, 0.0260834400000000 ] - [ 0.0001573700000000, 0.0009113100000000, 0.0003715700000000 ] - [ 0.0001573700000000, -0.0009113100000000, 0.0003715700000000 ] - [ 0.0032536100000000, 0.0000000000000000, -0.0003651400000000 ] - [ 0.0031415300000000, 0.0000098700000000, -0.0003833900000000 ] - [ 0.0031415300000000, -0.0000098700000000, -0.0003833900000000 ] - [ -0.0004816700000000, 0.0000000000000000, -0.0033219500000000 ] - [ -0.0002956600000000, -0.0001476500000000, -0.0020048700000000 ] - [ -0.0002956600000000, 0.0001476500000000, -0.0020048700000000 ] - [ 0.0017597900000000, 0.0000000000000000, -0.0002692800000000 ] - [ 0.0016317800000000, 0.0000102300000000, -0.0002010100000000 ] - [ 0.0016317800000000, -0.0000102300000000, -0.0002010100000000 ] - [ 0.0005438500000000, 0.0000000000000000, -0.0006133600000000 ] - [ 0.0004631300000000, -0.0000171600000000, -0.0005513600000000 ] - [ 0.0004631300000000, 0.0000171600000000, -0.0005513600000000 ] - [ 0.0020773200000000, 0.0000000000000000, -0.0002053500000000 ] - [ 0.0021744600000000, -0.0000012000000000, -0.0002030500000000 ] - [ 0.0021744600000000, 0.0000012000000000, -0.0002030500000000 ] - [ -0.0001890100000000, 0.0000000000000000, -0.0022659600000000 ] - [ -0.0001258500000000, 0.0000251000000000, -0.0021813600000000 ] - [ -0.0001258500000000, -0.0000251000000000, -0.0021813600000000 ] - [ -0.0046331700000000, 0.0000000000000000, 0.0000463000000000 ] - [ 0.0014965100000000, -0.0000143600000000, 0.0001730600000000 ] - [ 0.0014965100000000, 0.0000143600000000, 0.0001730600000000 ] - [ 0.0020663600000000, 0.0000000000000000, 0.0001671600000000 ] - [ 0.0022077800000000, 0.0000069000000000, 0.0002422000000000 ] - [ 0.0022077800000000, -0.0000069000000000, 0.0002422000000000 ] - [ -0.0057528200000000, -0.0269481700000000, -0.0028907000000000 ] - [ -0.0057528200000000, 0.0269481700000000, -0.0028907000000000 ] - [ 0.0048064200000000, 0.0000000000000000, -0.0031957500000000 ] - [ 0.0046232400000000, -0.0015968800000000, -0.0024693300000000 ] - [ 0.0046232400000000, 0.0015968800000000, -0.0024693300000000 ] - [ 0.0046022700000000, 0.0000000000000000, -0.0030346600000000 ] - [ 0.0049161300000000, 0.0015053800000000, -0.0014291300000000 ] - [ 0.0049161300000000, -0.0015053800000000, -0.0014291300000000 ] - [ 0.0049660800000000, 0.0000000000000000, -0.0021986400000000 ] - [ 0.0069158900000000, -0.0001071300000000, -0.0006243600000000 ] - [ 0.0069158900000000, 0.0001071300000000, -0.0006243600000000 ] - [ 0.0069177900000000, 0.0000000000000000, -0.0006341600000000 ] - [ -0.0085589400000000, 0.0236402000000000, -0.0045508000000000 ] - [ -0.0085589400000000, -0.0236402000000000, -0.0045508000000000 ] - [ 0.0047888100000000, 0.0000000000000000, -0.0044925700000000 ] - [ 0.0052347700000000, 0.0016848100000000, -0.0050355500000000 ] - [ 0.0052347700000000, -0.0016848100000000, -0.0050355500000000 ] - [ 0.0052552400000000, 0.0000000000000000, -0.0043415400000000 ] - [ 0.0069091900000000, 0.0000832100000000, 0.0042411700000000 ] - [ 0.0069091900000000, -0.0000832100000000, 0.0042411700000000 ] - [ 0.0069006800000000, 0.0000000000000000, 0.0042611600000000 ] - [ 0.0010603900000000, -0.0000143900000000, 0.0000822100000000 ] - [ 0.0010603900000000, 0.0000143900000000, 0.0000822100000000 ] - [ 0.0007755000000000, 0.0000000000000000, 0.0000976200000000 ] - [ -0.0084217500000000, -0.0017217700000000, -0.0020803200000000 ] - [ -0.0084217500000000, 0.0017217700000000, -0.0020803200000000 ] - [ -0.0013310400000000, 0.0000000000000000, 0.0001962600000000 ] - [ -0.0086112100000000, -0.0023615300000000, 0.0017940000000000 ] - [ -0.0086112100000000, 0.0023615300000000, 0.0017940000000000 ] - [ -0.0012727000000000, 0.0000000000000000, -0.0004149000000000 ] - [ 0.0055993000000000, 0.0004187900000000, 0.0002547700000000 ] - [ 0.0055993000000000, -0.0004187900000000, 0.0002547700000000 ] - [ 0.0009174100000000, 0.0000000000000000, -0.0000836100000000 ] - [ 0.0045686200000000, 0.0000332700000000, -0.0002247800000000 ] - [ 0.0045686200000000, -0.0000332700000000, -0.0002247800000000 ] - [ 0.0002745500000000, 0.0000000000000000, 0.0000679800000000 ] - [ -0.0004103800000000, 0.0000788100000000, 0.0000812400000000 ] - [ -0.0004103800000000, -0.0000788100000000, 0.0000812400000000 ] - [ -0.0001703000000000, 0.0000000000000000, 0.0000924200000000 ] - [ -0.0000551100000000, -0.0000716700000000, -0.0000359600000000 ] - [ -0.0000551100000000, 0.0000716700000000, -0.0000359600000000 ] - [ -0.0003137600000000, 0.0000000000000000, -0.0000985400000000 ] - [ -0.0096377600000000, 0.0000000000000000, -0.0025388400000000 ] - [ -0.0095055100000000, 0.0000496400000000, -0.0028877100000000 ] - [ -0.0095055100000000, -0.0000496400000000, -0.0028877100000000 ] - [ -0.0112417000000000, 0.0000000000000000, 0.0061921600000000 ] - [ -0.0112380200000000, -0.0000976000000000, 0.0056244500000000 ] - [ -0.0112380200000000, 0.0000976000000000, 0.0056244500000000 ] - [ -0.0035627200000000, 0.0000000000000000, 0.0081044100000000 ] - [ -0.0035095200000000, 0.0000201300000000, 0.0082709800000000 ] - [ -0.0035095200000000, -0.0000201300000000, 0.0082709800000000 ] - [ -0.0057756200000000, 0.0000000000000000, 0.0191418200000000 ] - [ -0.0061855200000000, -0.0011580000000000, 0.0061739000000000 ] - [ -0.0061855200000000, 0.0011580000000000, 0.0061739000000000 ] - [ 0.0207215800000000, 0.0000000000000000, 0.0082450700000000 ] - [ -0.0060637800000000, 0.0120044000000000, 0.0054096200000000 ] - [ -0.0060637800000000, -0.0120044000000000, 0.0054096200000000 ] - [ -0.0665993900000000, 0.0000000000000000, 0.0006585500000000 ] - [ -0.0080702000000000, -0.0129439000000000, 0.0047433300000000 ] - [ -0.0080702000000000, 0.0129439000000000, 0.0047433300000000 ] - [ -0.0057027300000000, 0.0000000000000000, -0.0092873800000000 ] - [ -0.0065299600000000, 0.0009321900000000, 0.0023396600000000 ] - [ -0.0065299600000000, -0.0009321900000000, 0.0023396600000000 ] - [ -0.0067117300000000, 0.0000000000000000, -0.0092442900000000 ] - [ -0.0071031300000000, -0.0008667000000000, 0.0031989900000000 ] - [ -0.0071031300000000, 0.0008667000000000, 0.0031989900000000 ] - [ -0.0087930600000000, 0.0000000000000000, 0.0020998100000000 ] - [ -0.0087952100000000, -0.0000595500000000, 0.0023822600000000 ] - [ -0.0087952100000000, 0.0000595500000000, 0.0023822600000000 ] - [ -0.0054810200000000, 0.0000000000000000, 0.0187054500000000 ] - [ -0.0067214800000000, 0.0010611300000000, 0.0063935200000000 ] - [ -0.0067214800000000, -0.0010611300000000, 0.0063935200000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005312400000000, 0.0001035000000000, -0.0002151100000000 ] - [ -0.0005390100000000, 0.0001064100000000, 0.0000850800000000 ] - [ -0.0005353000000000, -0.0002170900000000, -0.0000642100000000 ] - [ -0.0001316100000000, 0.0000291500000000, 0.0000598000000000 ] - [ -0.0001325000000000, 0.0000301200000000, 0.0000567700000000 ] - [ -0.0001320900000000, -0.0000592300000000, 0.0000582200000000 ] - [ -0.0001561500000000, 0.0000297900000000, 0.0003129000000000 ] - [ -0.0001563800000000, 0.0000307700000000, 0.0003094500000000 ] - [ -0.0001562600000000, -0.0000588900000000, 0.0003112600000000 ] - [ 0.0047915500000000, -0.0007636500000000, -0.0031068500000000 ] - [ 0.0041782300000000, -0.0007842700000000, -0.0042920100000000 ] - [ 0.0044871000000000, 0.0014836300000000, -0.0037013500000000 ] - [ 0.0096209000000000, -0.0001426300000000, -0.0034041000000000 ] - [ 0.0096516500000000, -0.0001473300000000, -0.0034841400000000 ] - [ 0.0096365000000000, 0.0002879900000000, -0.0034447700000000 ] - [ 0.0013875000000000, -0.0001491400000000, -0.0071808600000000 ] - [ 0.0013708800000000, -0.0001535800000000, -0.0072485600000000 ] - [ 0.0013790300000000, 0.0002942000000000, -0.0072151900000000 ] - [ -0.0006107400000000, -0.0049495600000000, -0.0012208200000000 ] - [ -0.0009388600000000, 0.0011531500000000, -0.0029705900000000 ] - [ -0.0003586200000000, 0.0011559200000000, 0.0003559200000000 ] - [ 0.0019675200000000, -0.0011300200000000, 0.0002611800000000 ] - [ 0.0017650600000000, 0.0008251900000000, -0.0006222000000000 ] - [ 0.0021715400000000, 0.0008199500000000, 0.0011250700000000 ] - [ -0.0003187300000000, -0.0002864100000000, -0.0019705900000000 ] - [ -0.0002745000000000, 0.0001154600000000, -0.0025086600000000 ] - [ -0.0003627900000000, 0.0001173800000000, -0.0014526900000000 ] - [ 0.0019505800000000, -0.0004851000000000, 0.0000671200000000 ] - [ 0.0019372200000000, 0.0003127900000000, -0.0003263100000000 ] - [ 0.0019581300000000, 0.0003176900000000, 0.0004342800000000 ] - [ -0.0000490100000000, -0.0002486200000000, -0.0013206700000000 ] - [ -0.0001447800000000, 0.0001163300000000, -0.0018818400000000 ] - [ 0.0000440200000000, 0.0001186400000000, -0.0007781200000000 ] - [ 0.0021215100000000, -0.0517066000000000, -0.0002038500000000 ] - [ 0.0024654800000000, 0.0025574600000000, -0.0001748300000000 ] - [ 0.0020914300000000, 0.0025543800000000, -0.0000126500000000 ] - [ 0.0003186700000000, -0.0047533900000000, -0.0011811300000000 ] - [ 0.0006744400000000, 0.0011567500000000, -0.0028788000000000 ] - [ 0.0000162800000000, 0.0011569400000000, 0.0003949000000000 ] - [ -0.0005054200000000, -0.0003027100000000, -0.0019538600000000 ] - [ -0.0005698300000000, 0.0001387700000000, -0.0013332500000000 ] - [ -0.0004415500000000, 0.0001412400000000, -0.0025517000000000 ] - [ 0.0024767300000000, -0.0012325600000000, 0.0005356300000000 ] - [ 0.0023296100000000, 0.0009363100000000, 0.0015941500000000 ] - [ 0.0026315600000000, 0.0009287700000000, -0.0005021200000000 ] - [ -0.0005093500000000, -0.0048729300000000, -0.0012154800000000 ] - [ 0.0000204200000000, 0.0012377600000000, 0.0004167000000000 ] - [ -0.0009702700000000, 0.0012369600000000, -0.0027173800000000 ] - [ 0.0026229300000000, 0.0013401500000000, 0.0004345200000000 ] - [ 0.0025691800000000, 0.0030905400000000, 0.0004693100000000 ] - [ 0.0026530100000000, 0.0030758400000000, 0.0004143700000000 ] - [ 0.0001688700000000, -0.0048992100000000, -0.0015913100000000 ] - [ -0.0002565700000000, 0.0012013600000000, 0.0001136000000000 ] - [ 0.0005149700000000, 0.0012030400000000, -0.0031252200000000 ] - [ 0.0029355200000000, -0.0000989600000000, -0.0003512100000000 ] - [ 0.0029422800000000, 0.0000502000000000, -0.0002880900000000 ] - [ 0.0029290200000000, 0.0000515600000000, -0.0004117000000000 ] - [ -0.0002817000000000, -0.0003290800000000, -0.0014219200000000 ] - [ -0.0002417700000000, 0.0001366300000000, -0.0008681400000000 ] - [ -0.0003213400000000, 0.0001384900000000, -0.0019560300000000 ] - [ 0.0014152300000000, -0.0000537900000000, -0.0001814700000000 ] - [ 0.0014152900000000, 0.0000260300000000, -0.0002604000000000 ] - [ 0.0014155400000000, 0.0000267600000000, -0.0001050100000000 ] - [ 0.0004189900000000, -0.0000678200000000, -0.0004542500000000 ] - [ 0.0003997500000000, 0.0000274600000000, -0.0004476700000000 ] - [ 0.0004373700000000, 0.0000281400000000, -0.0004606900000000 ] - [ 0.0023484800000000, -0.0000694000000000, -0.0001664500000000 ] - [ 0.0023526200000000, 0.0000341200000000, -0.0000966100000000 ] - [ 0.0023446600000000, 0.0000349500000000, -0.0002342400000000 ] - [ -0.0001252700000000, -0.0000626700000000, -0.0020610100000000 ] - [ -0.0001239600000000, 0.0000301400000000, -0.0020804900000000 ] - [ -0.0001267700000000, 0.0000308600000000, -0.0020425500000000 ] - [ 0.0024343900000000, -0.0004756100000000, 0.0001737700000000 ] - [ 0.0024731500000000, 0.0003101500000000, 0.0005785700000000 ] - [ 0.0023895000000000, 0.0003143500000000, -0.0002044800000000 ] - [ 0.0024134300000000, -0.0000615500000000, 0.0002624300000000 ] - [ 0.0024113600000000, 0.0000299800000000, 0.0001897300000000 ] - [ 0.0024150900000000, 0.0000306800000000, 0.0003328600000000 ] - [ 0.0194408100000000, 0.0107369900000000, -0.0032340900000000 ] - [ -0.0085766800000000, 0.0107763100000000, -0.0037067100000000 ] - [ 0.0055280900000000, 0.0051726300000000, -0.0034680800000000 ] - [ 0.0050149800000000, -0.0007825700000000, -0.0040172100000000 ] - [ 0.0042786200000000, -0.0008054100000000, -0.0027957000000000 ] - [ 0.0046493700000000, 0.0015703000000000, -0.0034055400000000 ] - [ 0.0044728200000000, -0.0007556300000000, -0.0019528900000000 ] - [ 0.0054273700000000, -0.0007747900000000, -0.0032103000000000 ] - [ 0.0049473400000000, 0.0014280500000000, -0.0025820500000000 ] - [ 0.0069149600000000, -0.0001567000000000, -0.0007228400000000 ] - [ 0.0069303800000000, -0.0001609400000000, -0.0006220400000000 ] - [ 0.0069226200000000, 0.0003147100000000, -0.0006718600000000 ] - [ -0.0087268200000000, 0.0096793600000000, -0.0041538900000000 ] - [ 0.0183879100000000, 0.0097609600000000, -0.0045170400000000 ] - [ 0.0047239900000000, 0.0053368200000000, -0.0043341700000000 ] - [ 0.0046893700000000, -0.0007888700000000, -0.0046692200000000 ] - [ 0.0057228800000000, -0.0008088300000000, -0.0033253500000000 ] - [ 0.0052028100000000, 0.0015394700000000, -0.0039976300000000 ] - [ 0.0068756000000000, -0.0001509200000000, 0.0043255600000000 ] - [ 0.0068786300000000, -0.0001548400000000, 0.0044078300000000 ] - [ 0.0068771900000000, 0.0002969700000000, 0.0043672300000000 ] - [ 0.0004262500000000, 0.0001752400000000, -0.0001079600000000 ] - [ 0.0004357500000000, 0.0001820800000000, 0.0003227800000000 ] - [ 0.0004310800000000, -0.0003695100000000, 0.0001093800000000 ] - [ 0.0001655100000000, -0.0013277800000000, -0.0056878500000000 ] - [ -0.0007617400000000, -0.0012164000000000, 0.0057959300000000 ] - [ -0.0003018600000000, -0.0017600500000000, 0.0000920900000000 ] - [ 0.0000297500000000, 0.0008940200000000, 0.0036268700000000 ] - [ -0.0008093000000000, 0.0010986300000000, -0.0037879300000000 ] - [ -0.0003953700000000, -0.0018370900000000, -0.0001715300000000 ] - [ -0.0002053700000000, 0.0009614800000000, -0.0018829000000000 ] - [ 0.0001268700000000, 0.0009999100000000, 0.0019780300000000 ] - [ -0.0000362800000000, -0.0015764200000000, 0.0000533900000000 ] - [ -0.0007406900000000, 0.0009599600000000, 0.0020265600000000 ] - [ -0.0004278600000000, 0.0009979000000000, -0.0019454700000000 ] - [ -0.0005821200000000, -0.0015911500000000, 0.0000343300000000 ] - [ 0.0000839500000000, 0.0002427500000000, 0.0004116600000000 ] - [ 0.0000966500000000, 0.0002493700000000, -0.0003566300000000 ] - [ 0.0000902300000000, -0.0004950300000000, 0.0000264100000000 ] - [ -0.0006015700000000, 0.0001806200000000, 0.0000806200000000 ] - [ -0.0006128500000000, 0.0001868600000000, -0.0004047700000000 ] - [ -0.0006069000000000, -0.0003777900000000, -0.0001635500000000 ] - [ -0.0094367200000000, 0.0002913000000000, -0.0033059300000000 ] - [ -0.0094042700000000, -0.0001357600000000, -0.0036346900000000 ] - [ -0.0094684300000000, -0.0001395500000000, -0.0029870700000000 ] - [ -0.0111812100000000, 0.0002715100000000, 0.0051818400000000 ] - [ -0.0111937500000000, -0.0001320400000000, 0.0055182500000000 ] - [ -0.0111689100000000, -0.0001362900000000, 0.0048548300000000 ] - [ -0.0034633200000000, 0.0002840800000000, 0.0084880600000000 ] - [ -0.0034378000000000, -0.0001319200000000, 0.0087995000000000 ] - [ -0.0034877200000000, -0.0001360800000000, 0.0081878300000000 ] - [ -0.0059664000000000, 0.0018078200000000, 0.0048780400000000 ] - [ -0.0052982000000000, -0.0008673000000000, 0.0064470700000000 ] - [ -0.0066302100000000, -0.0008775200000000, 0.0033982300000000 ] - [ -0.0065330800000000, 0.0170338800000000, 0.0057760600000000 ] - [ -0.0067125500000000, -0.0092122400000000, 0.0060437000000000 ] - [ -0.0060965300000000, -0.0091726200000000, 0.0054891600000000 ] - [ -0.0072935600000000, 0.0208553300000000, 0.0047836800000000 ] - [ -0.0077860600000000, -0.0098689500000000, 0.0050749300000000 ] - [ -0.0072601000000000, -0.0098584600000000, 0.0044799700000000 ] - [ -0.0067605300000000, 0.0018746300000000, 0.0036171100000000 ] - [ -0.0072047500000000, -0.0009075800000000, 0.0052385800000000 ] - [ -0.0063150400000000, -0.0009198200000000, 0.0020550300000000 ] - [ -0.0069478300000000, 0.0020234000000000, 0.0045241300000000 ] - [ -0.0063501100000000, -0.0009870200000000, 0.0027058200000000 ] - [ -0.0075514600000000, -0.0009973600000000, 0.0062413300000000 ] - [ -0.0087619100000000, 0.0002730400000000, 0.0025063700000000 ] - [ -0.0087901700000000, -0.0001324900000000, 0.0021823000000000 ] - [ -0.0087340900000000, -0.0001363600000000, 0.0028209000000000 ] - [ -0.0070050200000000, 0.0020990000000000, 0.0051793100000000 ] - [ -0.0075216600000000, -0.0010247900000000, 0.0033826300000000 ] - [ -0.0064867600000000, -0.0010335000000000, 0.0069056100000000 ]- atom: 34 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005166300000000, -0.0002406100000000, -0.0005859000000000 ] - [ -0.0005166300000000, 0.0002406100000000, -0.0005859000000000 ] - [ -0.0005175800000000, 0.0000000000000000, -0.0003510900000000 ] - [ -0.0001198000000000, 0.0000075700000000, -0.0003511300000000 ] - [ -0.0001198000000000, -0.0000075700000000, -0.0003511300000000 ] - [ -0.0001226900000000, 0.0000000000000000, -0.0002821600000000 ] - [ -0.0001675400000000, 0.0000052100000000, -0.0001394800000000 ] - [ -0.0001675400000000, -0.0000052100000000, -0.0001394800000000 ] - [ -0.0001644700000000, 0.0000000000000000, -0.0000662300000000 ] - [ 0.0048488600000000, 0.0018901700000000, -0.0029867600000000 ] - [ 0.0048488600000000, -0.0018901700000000, -0.0029867600000000 ] - [ 0.0046361400000000, 0.0000000000000000, -0.0038328200000000 ] - [ 0.0095463700000000, 0.0002732600000000, -0.0028440200000000 ] - [ 0.0095463700000000, -0.0002732600000000, -0.0028440200000000 ] - [ 0.0095819200000000, 0.0000000000000000, -0.0029762700000000 ] - [ 0.0014630700000000, 0.0002941400000000, -0.0066205900000000 ] - [ 0.0014630700000000, -0.0002941400000000, -0.0066205900000000 ] - [ 0.0014414500000000, 0.0000000000000000, -0.0067498000000000 ] - [ 0.0149842800000000, 0.0000000000000000, 0.0091686900000000 ] - [ -0.0003746300000000, -0.0006245600000000, -0.0032048000000000 ] - [ -0.0003746300000000, 0.0006245600000000, -0.0032048000000000 ] - [ 0.0017932500000000, 0.0000000000000000, 0.0019221900000000 ] - [ 0.0021189600000000, -0.0009163400000000, 0.0007219700000000 ] - [ 0.0021189600000000, 0.0009163400000000, 0.0007219700000000 ] - [ -0.0003852800000000, 0.0000000000000000, 0.0012562700000000 ] - [ -0.0002884300000000, -0.0002215500000000, -0.0006882300000000 ] - [ -0.0002884300000000, 0.0002215500000000, -0.0006882300000000 ] - [ 0.0021112000000000, 0.0000000000000000, 0.0025391700000000 ] - [ 0.0019552600000000, -0.0004317500000000, 0.0000360100000000 ] - [ 0.0019552600000000, 0.0004317500000000, 0.0000360100000000 ] - [ 0.0000266800000000, 0.0000000000000000, 0.0018142600000000 ] - [ -0.0000780100000000, -0.0002302500000000, -0.0000019500000000 ] - [ -0.0000780100000000, 0.0002302500000000, -0.0000019500000000 ] - [ -0.0009193100000000, 0.0000000000000000, -0.0599115100000000 ] - [ 0.0021109100000000, 0.0000787200000000, -0.0018398700000000 ] - [ 0.0021109100000000, -0.0000787200000000, -0.0018398700000000 ] - [ -0.0142557300000000, 0.0000000000000000, 0.0080498000000000 ] - [ -0.0001246800000000, -0.0006546900000000, -0.0031835800000000 ] - [ -0.0001246800000000, 0.0006546900000000, -0.0031835800000000 ] - [ -0.0005018400000000, 0.0000000000000000, 0.0010237600000000 ] - [ -0.0005015900000000, 0.0002685000000000, -0.0009630000000000 ] - [ -0.0005015900000000, -0.0002685000000000, -0.0009630000000000 ] - [ 0.0027551000000000, 0.0000000000000000, 0.0023872400000000 ] - [ 0.0023089400000000, 0.0010103500000000, 0.0011203200000000 ] - [ 0.0023089400000000, -0.0010103500000000, 0.0011203200000000 ] - [ 0.0150393200000000, 0.0000000000000000, 0.0087676700000000 ] - [ 0.0001003400000000, 0.0006892300000000, -0.0033133100000000 ] - [ 0.0001003400000000, -0.0006892300000000, -0.0033133100000000 ] - [ 0.0033290100000000, 0.0000000000000000, 0.0008411700000000 ] - [ 0.0026300100000000, -0.0001433100000000, -0.0005042700000000 ] - [ 0.0026300100000000, 0.0001433100000000, -0.0005042700000000 ] - [ -0.0148922800000000, 0.0000000000000000, 0.0088704900000000 ] - [ -0.0002763400000000, 0.0005693900000000, -0.0037040200000000 ] - [ -0.0002763400000000, -0.0005693900000000, -0.0037040200000000 ] - [ 0.0029786700000000, 0.0000000000000000, 0.0005124700000000 ] - [ 0.0029493500000000, 0.0001009400000000, 0.0001679800000000 ] - [ 0.0029493500000000, -0.0001009400000000, 0.0001679800000000 ] - [ -0.0000915800000000, 0.0000000000000000, 0.0016567900000000 ] - [ -0.0002447800000000, 0.0002573400000000, -0.0003900600000000 ] - [ -0.0002447800000000, -0.0002573400000000, -0.0003900600000000 ] - [ 0.0014855600000000, 0.0000000000000000, 0.0005859000000000 ] - [ 0.0014640700000000, -0.0000503000000000, 0.0002552600000000 ] - [ 0.0014640700000000, 0.0000503000000000, 0.0002552600000000 ] - [ 0.0004144100000000, 0.0000000000000000, 0.0023236400000000 ] - [ 0.0004131900000000, 0.0000048500000000, 0.0014817300000000 ] - [ 0.0004131900000000, -0.0000048500000000, 0.0014817300000000 ] - [ 0.0023863800000000, 0.0000000000000000, 0.0006020000000000 ] - [ 0.0023384200000000, 0.0000744900000000, 0.0002781300000000 ] - [ 0.0023384200000000, -0.0000744900000000, 0.0002781300000000 ] - [ -0.0001377500000000, 0.0000000000000000, 0.0006357700000000 ] - [ -0.0001506800000000, 0.0000019600000000, -0.0001599300000000 ] - [ -0.0001506800000000, -0.0000019600000000, -0.0001599300000000 ] - [ 0.0026092200000000, 0.0000000000000000, 0.0026721500000000 ] - [ 0.0024606300000000, 0.0003936500000000, 0.0000933100000000 ] - [ 0.0024606300000000, -0.0003936500000000, 0.0000933100000000 ] - [ 0.0023700800000000, 0.0000000000000000, 0.0010369800000000 ] - [ 0.0023903900000000, -0.0000587600000000, 0.0007291700000000 ] - [ 0.0023903900000000, 0.0000587600000000, 0.0007291700000000 ] - [ 0.0056856900000000, 0.0014018500000000, -0.0084149600000000 ] - [ 0.0056856900000000, -0.0014018500000000, -0.0084149600000000 ] - [ 0.0054802000000000, 0.0000000000000000, -0.0044389200000000 ] - [ 0.0042791700000000, -0.0020267700000000, -0.0027545200000000 ] - [ 0.0042791700000000, 0.0020267700000000, -0.0027545200000000 ] - [ 0.0045301700000000, 0.0000000000000000, -0.0035203400000000 ] - [ 0.0045256600000000, 0.0018529200000000, -0.0018891200000000 ] - [ 0.0045256600000000, -0.0018529200000000, -0.0018891200000000 ] - [ 0.0048905800000000, 0.0000000000000000, -0.0026794600000000 ] - [ 0.0069516900000000, -0.0003415300000000, -0.0000198600000000 ] - [ 0.0069516900000000, 0.0003415300000000, -0.0000198600000000 ] - [ 0.0069293200000000, 0.0000000000000000, -0.0001812100000000 ] - [ 0.0047334300000000, 0.0007921500000000, -0.0091129600000000 ] - [ 0.0047334300000000, -0.0007921500000000, -0.0091129600000000 ] - [ 0.0047599400000000, 0.0000000000000000, -0.0053703000000000 ] - [ 0.0056215800000000, -0.0020605200000000, -0.0033141800000000 ] - [ 0.0056215800000000, 0.0020605200000000, -0.0033141800000000 ] - [ 0.0052475000000000, 0.0000000000000000, -0.0040780600000000 ] - [ 0.0068594200000000, -0.0003317600000000, 0.0049618400000000 ] - [ 0.0068594200000000, 0.0003317600000000, 0.0049618400000000 ] - [ 0.0068612200000000, 0.0000000000000000, 0.0048161500000000 ] - [ 0.0003999400000000, -0.0005782200000000, -0.0008198100000000 ] - [ 0.0003999400000000, 0.0005782200000000, -0.0008198100000000 ] - [ 0.0004053500000000, 0.0000000000000000, -0.0003539400000000 ] - [ 0.0002310100000000, -0.0057264000000000, -0.0006984800000000 ] - [ 0.0002310100000000, 0.0057264000000000, -0.0006984800000000 ] - [ -0.0002932100000000, 0.0000000000000000, 0.0009498100000000 ] - [ -0.0007362800000000, 0.0035985800000000, 0.0022133600000000 ] - [ -0.0007362800000000, -0.0035985800000000, 0.0022133600000000 ] - [ -0.0003742300000000, 0.0000000000000000, 0.0008891000000000 ] - [ -0.0003049400000000, -0.0021807900000000, 0.0012331800000000 ] - [ -0.0003049400000000, 0.0021807900000000, 0.0012331800000000 ] - [ -0.0000403800000000, 0.0000000000000000, 0.0008126400000000 ] - [ -0.0004966700000000, 0.0017525600000000, 0.0021688700000000 ] - [ -0.0004966700000000, -0.0017525600000000, 0.0021688700000000 ] - [ -0.0005978500000000, 0.0000000000000000, 0.0010416900000000 ] - [ 0.0000975100000000, 0.0005641600000000, -0.0010695900000000 ] - [ 0.0000975100000000, -0.0005641600000000, -0.0010695900000000 ] - [ 0.0000807400000000, 0.0000000000000000, -0.0004868100000000 ] - [ -0.0006226000000000, 0.0006328100000000, -0.0010515900000000 ] - [ -0.0006226000000000, -0.0006328100000000, -0.0010515900000000 ] - [ -0.0005988700000000, 0.0000000000000000, -0.0005275000000000 ] - [ -0.0091749000000000, 0.0000000000000000, -0.0070375400000000 ] - [ -0.0092890900000000, -0.0003005200000000, -0.0054905700000000 ] - [ -0.0092890900000000, 0.0003005200000000, -0.0054905700000000 ] - [ -0.0108732500000000, 0.0000000000000000, 0.0013763200000000 ] - [ -0.0109617600000000, 0.0002510100000000, 0.0028100800000000 ] - [ -0.0109617600000000, -0.0002510100000000, 0.0028100800000000 ] - [ -0.0039111500000000, 0.0000000000000000, 0.0046524300000000 ] - [ -0.0037468200000000, 0.0002644700000000, 0.0061343600000000 ] - [ -0.0037468200000000, -0.0002644700000000, 0.0061343600000000 ] - [ -0.0061126500000000, 0.0000000000000000, -0.0025338200000000 ] - [ -0.0065083600000000, 0.0015746000000000, 0.0049113200000000 ] - [ -0.0065083600000000, -0.0015746000000000, 0.0049113200000000 ] - [ -0.0087516000000000, 0.0000000000000000, 0.0249901100000000 ] - [ -0.0064305900000000, 0.0003746400000000, 0.0093672900000000 ] - [ -0.0064305900000000, -0.0003746400000000, 0.0093672900000000 ] - [ -0.0045598500000000, 0.0000000000000000, 0.0279050000000000 ] - [ -0.0072613700000000, 0.0007092100000000, 0.0083487000000000 ] - [ -0.0072613700000000, -0.0007092100000000, 0.0083487000000000 ] - [ -0.0062778200000000, 0.0000000000000000, -0.0030958300000000 ] - [ -0.0063737000000000, 0.0016132300000000, 0.0036718500000000 ] - [ -0.0063737000000000, -0.0016132300000000, 0.0036718500000000 ] - [ -0.0072003800000000, 0.0000000000000000, -0.0037010400000000 ] - [ -0.0063458100000000, -0.0016938700000000, 0.0049605700000000 ] - [ -0.0063458100000000, 0.0016938700000000, 0.0049605700000000 ] - [ -0.0089979100000000, 0.0000000000000000, -0.0008650300000000 ] - [ -0.0088517500000000, -0.0002841000000000, 0.0005684000000000 ] - [ -0.0088517500000000, 0.0002841000000000, 0.0005684000000000 ] - [ -0.0078598100000000, 0.0000000000000000, -0.0023724000000000 ] - [ -0.0074686900000000, -0.0017424600000000, 0.0055390700000000 ] - [ -0.0074686900000000, 0.0017424600000000, 0.0055390700000000 ]- atom: 34 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005536000000000, 0.0002414500000000, 0.0004535700000000 ] - [ -0.0005536000000000, -0.0002414500000000, 0.0004535700000000 ] - [ -0.0005529000000000, 0.0000000000000000, 0.0002195400000000 ] - [ -0.0001447400000000, -0.0000069400000000, 0.0004676500000000 ] - [ -0.0001447400000000, 0.0000069400000000, 0.0004676500000000 ] - [ -0.0001418300000000, 0.0000000000000000, 0.0003993300000000 ] - [ -0.0001445300000000, -0.0000045400000000, 0.0007608100000000 ] - [ -0.0001445300000000, 0.0000045400000000, 0.0007608100000000 ] - [ -0.0001473300000000, 0.0000000000000000, 0.0006875200000000 ] - [ 0.0041226600000000, -0.0018967800000000, -0.0044088000000000 ] - [ 0.0041226600000000, 0.0018967800000000, -0.0044088000000000 ] - [ 0.0043381800000000, 0.0000000000000000, -0.0035608400000000 ] - [ 0.0097264400000000, -0.0002758700000000, -0.0040445000000000 ] - [ 0.0097264400000000, 0.0002758700000000, -0.0040445000000000 ] - [ 0.0096907300000000, 0.0000000000000000, -0.0039118800000000 ] - [ 0.0012956000000000, -0.0002975700000000, -0.0078090500000000 ] - [ 0.0012956000000000, 0.0002975700000000, -0.0078090500000000 ] - [ 0.0013172000000000, 0.0000000000000000, -0.0076793500000000 ] - [ -0.0165067100000000, 0.0000000000000000, -0.0118367100000000 ] - [ -0.0009236400000000, 0.0006239900000000, 0.0006241000000000 ] - [ -0.0009236400000000, -0.0006239900000000, 0.0006241000000000 ] - [ 0.0021486500000000, 0.0000000000000000, -0.0014092200000000 ] - [ 0.0018171600000000, 0.0009257500000000, -0.0002132900000000 ] - [ 0.0018171600000000, -0.0009257500000000, -0.0002132900000000 ] - [ -0.0002469100000000, 0.0000000000000000, -0.0052195200000000 ] - [ -0.0003488300000000, 0.0002229100000000, -0.0032628700000000 ] - [ -0.0003488300000000, -0.0002229100000000, -0.0032628700000000 ] - [ 0.0017943800000000, 0.0000000000000000, -0.0024455500000000 ] - [ 0.0019418500000000, 0.0004326000000000, 0.0000801700000000 ] - [ 0.0019418500000000, -0.0004326000000000, 0.0000801700000000 ] - [ -0.0001233400000000, 0.0000000000000000, -0.0044732600000000 ] - [ -0.0000211500000000, 0.0002312900000000, -0.0026470400000000 ] - [ -0.0000211500000000, -0.0002312900000000, -0.0026470400000000 ] - [ 0.0051181800000000, 0.0000000000000000, 0.0596333100000000 ] - [ 0.0024381700000000, -0.0000836500000000, 0.0016507400000000 ] - [ 0.0024381700000000, 0.0000836500000000, 0.0016507400000000 ] - [ 0.0152033100000000, 0.0000000000000000, -0.0106315300000000 ] - [ 0.0008179400000000, 0.0006571000000000, 0.0007366600000000 ] - [ 0.0008179400000000, -0.0006571000000000, 0.0007366600000000 ] - [ -0.0005085300000000, 0.0000000000000000, -0.0049110000000000 ] - [ -0.0005088900000000, -0.0002671700000000, -0.0029318700000000 ] - [ -0.0005088900000000, 0.0002671700000000, -0.0029318700000000 ] - [ 0.0022049100000000, 0.0000000000000000, -0.0013087400000000 ] - [ 0.0026522200000000, -0.0010004800000000, -0.0000360000000000 ] - [ 0.0026522200000000, 0.0010004800000000, -0.0000360000000000 ] - [ -0.0157564200000000, 0.0000000000000000, -0.0109956100000000 ] - [ -0.0010473700000000, -0.0006848000000000, 0.0009783700000000 ] - [ -0.0010473700000000, 0.0006848000000000, 0.0009783700000000 ] - [ 0.0019123600000000, 0.0000000000000000, 0.0000234700000000 ] - [ 0.0025872600000000, 0.0001240500000000, 0.0013861900000000 ] - [ 0.0025872600000000, -0.0001240500000000, 0.0013861900000000 ] - [ 0.0149574400000000, 0.0000000000000000, -0.0118592200000000 ] - [ 0.0005337100000000, -0.0005685400000000, 0.0006587600000000 ] - [ 0.0005337100000000, 0.0005685400000000, 0.0006587600000000 ] - [ 0.0028932600000000, 0.0000000000000000, -0.0012128300000000 ] - [ 0.0029220300000000, -0.0001004600000000, -0.0008690000000000 ] - [ 0.0029220300000000, 0.0001004600000000, -0.0008690000000000 ] - [ -0.0004662300000000, 0.0000000000000000, -0.0044771200000000 ] - [ -0.0003180100000000, -0.0002556600000000, -0.0024432600000000 ] - [ -0.0003180100000000, 0.0002556600000000, -0.0024432600000000 ] - [ 0.0013450700000000, 0.0000000000000000, -0.0009513500000000 ] - [ 0.0013668300000000, 0.0000507100000000, -0.0006194900000000 ] - [ 0.0013668300000000, -0.0000507100000000, -0.0006194900000000 ] - [ 0.0004239500000000, 0.0000000000000000, -0.0032310800000000 ] - [ 0.0004245900000000, -0.0000042500000000, -0.0023898700000000 ] - [ 0.0004245900000000, 0.0000042500000000, -0.0023898700000000 ] - [ 0.0023121700000000, 0.0000000000000000, -0.0009320500000000 ] - [ 0.0023590400000000, -0.0000737900000000, -0.0006099700000000 ] - [ 0.0023590400000000, 0.0000737900000000, -0.0006099700000000 ] - [ -0.0001116300000000, 0.0000000000000000, -0.0047583200000000 ] - [ -0.0000997100000000, -0.0000013700000000, -0.0039620400000000 ] - [ -0.0000997100000000, 0.0000013700000000, -0.0039620400000000 ] - [ 0.0022662800000000, 0.0000000000000000, -0.0022891100000000 ] - [ 0.0024011600000000, -0.0003924100000000, 0.0002733600000000 ] - [ 0.0024011600000000, 0.0003924100000000, 0.0002733600000000 ] - [ 0.0024583400000000, 0.0000000000000000, -0.0005148900000000 ] - [ 0.0024365500000000, 0.0000594500000000, -0.0002053300000000 ] - [ 0.0024365500000000, -0.0000594500000000, -0.0002053300000000 ] - [ 0.0054347600000000, -0.0012592100000000, 0.0014771700000000 ] - [ 0.0054347600000000, 0.0012592100000000, 0.0014771700000000 ] - [ 0.0055732000000000, 0.0000000000000000, -0.0024994700000000 ] - [ 0.0050163400000000, 0.0020204400000000, -0.0040618400000000 ] - [ 0.0050163400000000, -0.0020204400000000, -0.0040618400000000 ] - [ 0.0047685800000000, 0.0000000000000000, -0.0032982800000000 ] - [ 0.0053721100000000, -0.0018626500000000, -0.0032695300000000 ] - [ 0.0053721100000000, 0.0018626500000000, -0.0032695300000000 ] - [ 0.0050040200000000, 0.0000000000000000, -0.0024756300000000 ] - [ 0.0068944300000000, 0.0003381700000000, -0.0013248300000000 ] - [ 0.0068944300000000, -0.0003381700000000, -0.0013248300000000 ] - [ 0.0069163900000000, 0.0000000000000000, -0.0011640300000000 ] - [ 0.0046588600000000, -0.0006987700000000, 0.0004433500000000 ] - [ 0.0046588600000000, 0.0006987700000000, 0.0004433500000000 ] - [ 0.0046816400000000, 0.0000000000000000, -0.0033010500000000 ] - [ 0.0047879400000000, 0.0020492400000000, -0.0046846600000000 ] - [ 0.0047879400000000, -0.0020492400000000, -0.0046846600000000 ] - [ 0.0051579500000000, 0.0000000000000000, -0.0039247800000000 ] - [ 0.0068948900000000, 0.0003280200000000, 0.0037718000000000 ] - [ 0.0068948900000000, -0.0003280200000000, 0.0037718000000000 ] - [ 0.0068933100000000, 0.0000000000000000, 0.0039168200000000 ] - [ 0.0004625200000000, 0.0005827000000000, 0.0010345400000000 ] - [ 0.0004625200000000, -0.0005827000000000, 0.0010345400000000 ] - [ 0.0004576700000000, 0.0000000000000000, 0.0005663700000000 ] - [ -0.0008260100000000, 0.0056421900000000, 0.0007577000000000 ] - [ -0.0008260100000000, -0.0056421900000000, 0.0007577000000000 ] - [ -0.0003104200000000, 0.0000000000000000, -0.0007810600000000 ] - [ -0.0000444500000000, -0.0037633600000000, -0.0023706100000000 ] - [ -0.0000444500000000, 0.0037633600000000, -0.0023706100000000 ] - [ -0.0004165200000000, 0.0000000000000000, -0.0012162200000000 ] - [ 0.0002271800000000, 0.0021804300000000, -0.0011716100000000 ] - [ 0.0002271800000000, -0.0021804300000000, -0.0011716100000000 ] - [ -0.0000316900000000, 0.0000000000000000, -0.0007260700000000 ] - [ -0.0006720700000000, -0.0017551900000000, -0.0020510500000000 ] - [ -0.0006720700000000, 0.0017551900000000, -0.0020510500000000 ] - [ -0.0005654700000000, 0.0000000000000000, -0.0009520100000000 ] - [ 0.0000840900000000, -0.0005618200000000, 0.0011253100000000 ] - [ 0.0000840900000000, 0.0005618200000000, 0.0011253100000000 ] - [ 0.0001004200000000, 0.0000000000000000, 0.0005456600000000 ] - [ -0.0005930800000000, -0.0006278300000000, 0.0007263000000000 ] - [ -0.0005930800000000, 0.0006278300000000, 0.0007263000000000 ] - [ -0.0006155700000000, 0.0000000000000000, 0.0002060400000000 ] - [ -0.0096982800000000, 0.0000000000000000, 0.0004124000000000 ] - [ -0.0095842000000000, 0.0002976900000000, -0.0011262200000000 ] - [ -0.0095842000000000, -0.0002976900000000, -0.0011262200000000 ] - [ -0.0114905300000000, 0.0000000000000000, 0.0089965600000000 ] - [ -0.0113999200000000, -0.0002531900000000, 0.0075561000000000 ] - [ -0.0113999200000000, 0.0002531900000000, 0.0075561000000000 ] - [ -0.0030146400000000, 0.0000000000000000, 0.0123349300000000 ] - [ -0.0031788900000000, -0.0002670100000000, 0.0108462000000000 ] - [ -0.0031788900000000, 0.0002670100000000, 0.0108462000000000 ] - [ -0.0058361800000000, 0.0000000000000000, 0.0123827700000000 ] - [ -0.0054208900000000, -0.0015831500000000, 0.0049057900000000 ] - [ -0.0054208900000000, 0.0015831500000000, 0.0049057900000000 ] - [ -0.0042708500000000, 0.0000000000000000, -0.0134301200000000 ] - [ -0.0063701900000000, -0.0003369400000000, 0.0021627400000000 ] - [ -0.0063701900000000, 0.0003369400000000, 0.0021627400000000 ] - [ -0.0100767500000000, 0.0000000000000000, -0.0183086000000000 ] - [ -0.0077666500000000, -0.0006398400000000, 0.0012027500000000 ] - [ -0.0077666500000000, 0.0006398400000000, 0.0012027500000000 ] - [ -0.0072503900000000, 0.0000000000000000, 0.0104194200000000 ] - [ -0.0071449800000000, -0.0016206800000000, 0.0035910400000000 ] - [ -0.0071449800000000, 0.0016206800000000, 0.0035910400000000 ] - [ -0.0067069800000000, 0.0000000000000000, 0.0126593500000000 ] - [ -0.0075555000000000, 0.0016850800000000, 0.0040156900000000 ] - [ -0.0075555000000000, -0.0016850800000000, 0.0040156900000000 ] - [ -0.0085272700000000, 0.0000000000000000, 0.0058661100000000 ] - [ -0.0086709600000000, 0.0002818700000000, 0.0044391600000000 ] - [ -0.0086709600000000, -0.0002818700000000, 0.0044391600000000 ] - [ -0.0061651600000000, 0.0000000000000000, 0.0126359200000000 ] - [ -0.0065376000000000, 0.0017316100000000, 0.0047771900000000 ] - [ -0.0065376000000000, -0.0017316100000000, 0.0047771900000000 ]- atom: 37 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0002920700000000, -0.0003565100000000, -0.0004482500000000 ] - [ -0.0002920700000000, 0.0003565100000000, -0.0004482500000000 ] - [ -0.0004915700000000, 0.0000000000000000, -0.0001518600000000 ] - [ -0.0001036300000000, 0.0000094900000000, 0.0000400500000000 ] - [ -0.0001036300000000, -0.0000094900000000, 0.0000400500000000 ] - [ -0.0001175600000000, 0.0000000000000000, 0.0000413000000000 ] - [ -0.0001817000000000, 0.0000161300000000, 0.0003003700000000 ] - [ -0.0001817000000000, -0.0000161300000000, 0.0003003700000000 ] - [ -0.0001700300000000, 0.0000000000000000, 0.0002946100000000 ] - [ 0.0063061000000000, 0.0006446700000000, -0.0035821800000000 ] - [ 0.0063061000000000, -0.0006446700000000, -0.0035821800000000 ] - [ 0.0046440300000000, 0.0000000000000000, -0.0036359000000000 ] - [ 0.0096870300000000, 0.0000305800000000, -0.0033593000000000 ] - [ 0.0096870300000000, -0.0000305800000000, -0.0033593000000000 ] - [ 0.0096485800000000, 0.0000000000000000, -0.0033807800000000 ] - [ 0.0013217900000000, -0.0002103100000000, -0.0072773000000000 ] - [ 0.0013217900000000, 0.0002103100000000, -0.0072773000000000 ] - [ 0.0013670400000000, 0.0000000000000000, -0.0072069500000000 ] - [ 0.0031910800000000, 0.0000000000000000, -0.0013693500000000 ] - [ 0.0009138800000000, -0.0004343600000000, -0.0015418000000000 ] - [ 0.0009138800000000, 0.0004343600000000, -0.0015418000000000 ] - [ 0.0148312600000000, 0.0000000000000000, 0.0139038100000000 ] - [ 0.0017922400000000, -0.0004135100000000, 0.0007783800000000 ] - [ 0.0017922400000000, 0.0004135100000000, 0.0007783800000000 ] - [ 0.0007284600000000, 0.0000000000000000, -0.0041861800000000 ] - [ -0.0003515300000000, 0.0001108200000000, -0.0019364300000000 ] - [ -0.0003515300000000, -0.0001108200000000, -0.0019364300000000 ] - [ 0.0153144000000000, 0.0000000000000000, -0.0145561800000000 ] - [ 0.0020581200000000, 0.0003803700000000, -0.0002711900000000 ] - [ 0.0020581200000000, -0.0003803700000000, -0.0002711900000000 ] - [ 0.0021980800000000, 0.0000000000000000, -0.0005566500000000 ] - [ 0.0001132900000000, 0.0000012900000000, -0.0009752800000000 ] - [ 0.0001132900000000, -0.0000012900000000, -0.0009752800000000 ] - [ 0.0156555800000000, 0.0000000000000000, -0.0147142900000000 ] - [ 0.0020790600000000, -0.0003274800000000, -0.0005591200000000 ] - [ 0.0020790600000000, 0.0003274800000000, -0.0005591200000000 ] - [ -0.0553283000000000, 0.0000000000000000, -0.0000897700000000 ] - [ -0.0006453800000000, -0.0001809000000000, -0.0014211800000000 ] - [ -0.0006453800000000, 0.0001809000000000, -0.0014211800000000 ] - [ -0.0004593300000000, 0.0000000000000000, -0.0019583900000000 ] - [ -0.0004836000000000, 0.0000090600000000, -0.0019739400000000 ] - [ -0.0004836000000000, -0.0000090600000000, -0.0019739400000000 ] - [ 0.0022228100000000, 0.0000000000000000, 0.0005233400000000 ] - [ 0.0024098900000000, -0.0000042300000000, 0.0004707100000000 ] - [ 0.0024098900000000, 0.0000042300000000, 0.0004707100000000 ] - [ 0.0003073800000000, 0.0000000000000000, 0.0027384800000000 ] - [ -0.0005551000000000, 0.0001561300000000, -0.0011812400000000 ] - [ -0.0005551000000000, -0.0001561300000000, -0.0011812400000000 ] - [ 0.0148590000000000, 0.0000000000000000, 0.0140208000000000 ] - [ 0.0027879300000000, 0.0003183200000000, 0.0006034800000000 ] - [ 0.0027879300000000, -0.0003183200000000, 0.0006034800000000 ] - [ 0.0026269100000000, 0.0000000000000000, -0.0026869700000000 ] - [ 0.0002621400000000, 0.0000109100000000, -0.0018388400000000 ] - [ 0.0002621400000000, -0.0000109100000000, -0.0018388400000000 ] - [ 0.0028437600000000, 0.0000000000000000, -0.0003414600000000 ] - [ 0.0028999800000000, 0.0000106800000000, -0.0003353800000000 ] - [ 0.0028999800000000, -0.0000106800000000, -0.0003353800000000 ] - [ -0.0002544700000000, 0.0000000000000000, -0.0009141100000000 ] - [ -0.0002906100000000, 0.0000370300000000, -0.0013613000000000 ] - [ -0.0002906100000000, -0.0000370300000000, -0.0013613000000000 ] - [ 0.0012930300000000, 0.0000000000000000, 0.0000059000000000 ] - [ 0.0013340400000000, 0.0000005600000000, -0.0001255000000000 ] - [ 0.0013340400000000, -0.0000005600000000, -0.0001255000000000 ] - [ 0.0003754000000000, 0.0000000000000000, -0.0005970200000000 ] - [ 0.0004064600000000, 0.0000234700000000, -0.0003992600000000 ] - [ 0.0004064600000000, -0.0000234700000000, -0.0003992600000000 ] - [ 0.0024339400000000, 0.0000000000000000, -0.0001433800000000 ] - [ 0.0023791800000000, 0.0000092000000000, -0.0001501200000000 ] - [ 0.0023791800000000, -0.0000092000000000, -0.0001501200000000 ] - [ -0.0001019600000000, 0.0000000000000000, -0.0018422300000000 ] - [ -0.0001243300000000, -0.0000011200000000, -0.0019285800000000 ] - [ -0.0001243300000000, 0.0000011200000000, -0.0019285800000000 ] - [ 0.0030054200000000, 0.0000000000000000, 0.0002286300000000 ] - [ 0.0025009600000000, 0.0000871900000000, 0.0002253700000000 ] - [ 0.0025009600000000, -0.0000871900000000, 0.0002253700000000 ] - [ 0.0028437300000000, 0.0000000000000000, 0.0001782500000000 ] - [ 0.0024896100000000, 0.0000309200000000, 0.0002755500000000 ] - [ 0.0024896100000000, -0.0000309200000000, 0.0002755500000000 ] - [ 0.0071973400000000, 0.0004070300000000, -0.0037068200000000 ] - [ 0.0071973400000000, -0.0004070300000000, -0.0037068200000000 ] - [ 0.0056352800000000, 0.0000000000000000, -0.0036199900000000 ] - [ 0.0047129000000000, -0.0000019400000000, -0.0034551200000000 ] - [ 0.0047129000000000, 0.0000019400000000, -0.0034551200000000 ] - [ 0.0046754500000000, 0.0000000000000000, -0.0034561200000000 ] - [ 0.0011278100000000, -0.0014984200000000, -0.0029623600000000 ] - [ 0.0011278100000000, 0.0014984200000000, -0.0029623600000000 ] - [ 0.0047485000000000, 0.0000000000000000, -0.0025153200000000 ] - [ 0.0069281000000000, -0.0000228200000000, -0.0006499400000000 ] - [ 0.0069281000000000, 0.0000228200000000, -0.0006499400000000 ] - [ 0.0069265500000000, 0.0000000000000000, -0.0006560100000000 ] - [ 0.0008273900000000, -0.0018823500000000, -0.0039693600000000 ] - [ 0.0008273900000000, 0.0018823500000000, -0.0039693600000000 ] - [ 0.0045734600000000, 0.0000000000000000, -0.0044517400000000 ] - [ 0.0051188700000000, -0.0003314100000000, -0.0039058400000000 ] - [ 0.0051188700000000, 0.0003314100000000, -0.0039058400000000 ] - [ 0.0051675300000000, 0.0000000000000000, -0.0039889500000000 ] - [ 0.0068716200000000, -0.0000849100000000, 0.0043909200000000 ] - [ 0.0068716200000000, 0.0000849100000000, 0.0043909200000000 ] - [ 0.0068715000000000, 0.0000000000000000, 0.0043814200000000 ] - [ 0.0000955000000000, 0.0008715000000000, 0.0007128300000000 ] - [ 0.0000955000000000, -0.0008715000000000, 0.0007128300000000 ] - [ 0.0003207500000000, 0.0000000000000000, 0.0000864600000000 ] - [ 0.0010946000000000, -0.0025438200000000, 0.0000824700000000 ] - [ 0.0010946000000000, 0.0025438200000000, 0.0000824700000000 ] - [ -0.0001705000000000, 0.0000000000000000, 0.0001411700000000 ] - [ 0.0001171800000000, -0.0006173700000000, 0.0006253400000000 ] - [ 0.0001171800000000, 0.0006173700000000, 0.0006253400000000 ] - [ -0.0003041800000000, 0.0000000000000000, 0.0000052300000000 ] - [ -0.0033085500000000, 0.0056337200000000, 0.0004887400000000 ] - [ -0.0033085500000000, -0.0056337200000000, 0.0004887400000000 ] - [ -0.0001851500000000, 0.0000000000000000, 0.0000557700000000 ] - [ -0.0009145800000000, 0.0009763600000000, -0.0006717300000000 ] - [ -0.0009145800000000, -0.0009763600000000, -0.0006717300000000 ] - [ -0.0006762300000000, 0.0000000000000000, 0.0000866900000000 ] - [ 0.0001569700000000, 0.0000369900000000, 0.0000207400000000 ] - [ 0.0001569700000000, -0.0000369900000000, 0.0000207400000000 ] - [ 0.0001200100000000, 0.0000000000000000, 0.0000375100000000 ] - [ -0.0006808500000000, 0.0000520600000000, -0.0002004200000000 ] - [ -0.0006808500000000, -0.0000520600000000, -0.0002004200000000 ] - [ -0.0006427800000000, 0.0000000000000000, -0.0001754700000000 ] - [ -0.0093674800000000, 0.0000000000000000, -0.0034632100000000 ] - [ -0.0094239400000000, -0.0000643700000000, -0.0033842000000000 ] - [ -0.0094239400000000, 0.0000643700000000, -0.0033842000000000 ] - [ -0.0114413900000000, 0.0000000000000000, 0.0044198400000000 ] - [ -0.0112061600000000, 0.0000154200000000, 0.0048839600000000 ] - [ -0.0112061600000000, -0.0000154200000000, 0.0048839600000000 ] - [ -0.0030533800000000, 0.0000000000000000, 0.0093854300000000 ] - [ -0.0034006600000000, -0.0001575700000000, 0.0084250700000000 ] - [ -0.0034006600000000, 0.0001575700000000, 0.0084250700000000 ] - [ -0.0207114800000000, 0.0000000000000000, 0.0036837200000000 ] - [ -0.0066927900000000, 0.0005001800000000, 0.0045025700000000 ] - [ -0.0066927900000000, -0.0005001800000000, 0.0045025700000000 ] - [ 0.0111238200000000, 0.0000000000000000, 0.0093015300000000 ] - [ -0.0057455800000000, -0.0008724700000000, 0.0062084500000000 ] - [ -0.0057455800000000, 0.0008724700000000, 0.0062084500000000 ] - [ -0.0229491300000000, 0.0000000000000000, 0.0056952400000000 ] - [ -0.0081187000000000, 0.0002789200000000, 0.0053996200000000 ] - [ -0.0081187000000000, -0.0002789200000000, 0.0053996200000000 ] - [ 0.0092412700000000, 0.0000000000000000, -0.0009550400000000 ] - [ -0.0059970400000000, -0.0005626300000000, 0.0034142200000000 ] - [ -0.0059970400000000, 0.0005626300000000, 0.0034142200000000 ] - [ -0.0071512700000000, 0.0000000000000000, 0.0050942800000000 ] - [ -0.0070364900000000, -0.0000282400000000, 0.0046762400000000 ] - [ -0.0070364900000000, 0.0000282400000000, 0.0046762400000000 ] - [ -0.0087370400000000, 0.0000000000000000, 0.0024042300000000 ] - [ -0.0087655100000000, -0.0000215800000000, 0.0024363200000000 ] - [ -0.0087655100000000, 0.0000215800000000, 0.0024363200000000 ] - [ -0.0069719400000000, 0.0000000000000000, 0.0038269000000000 ] - [ -0.0069256200000000, -0.0002085200000000, 0.0051469600000000 ] - [ -0.0069256200000000, 0.0002085200000000, 0.0051469600000000 ]- atom: 37 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0007865600000000, 0.0003573400000000, 0.0003192600000000 ] - [ -0.0007865600000000, -0.0003573400000000, 0.0003192600000000 ] - [ -0.0005810100000000, 0.0000000000000000, 0.0000240000000000 ] - [ -0.0001628700000000, -0.0000098900000000, 0.0000769200000000 ] - [ -0.0001628700000000, 0.0000098900000000, 0.0000769200000000 ] - [ -0.0001481600000000, 0.0000000000000000, 0.0000762900000000 ] - [ -0.0001290700000000, -0.0000164900000000, 0.0003211900000000 ] - [ -0.0001290700000000, 0.0000164900000000, 0.0003211900000000 ] - [ -0.0001409400000000, 0.0000000000000000, 0.0003267200000000 ] - [ 0.0026639200000000, -0.0006628400000000, -0.0038275700000000 ] - [ 0.0026639200000000, 0.0006628400000000, -0.0038275700000000 ] - [ 0.0043284700000000, 0.0000000000000000, -0.0037659900000000 ] - [ 0.0095851000000000, -0.0000329800000000, -0.0035336400000000 ] - [ 0.0095851000000000, 0.0000329800000000, -0.0035336400000000 ] - [ 0.0096239100000000, 0.0000000000000000, -0.0035108100000000 ] - [ 0.0014366300000000, 0.0002186100000000, -0.0071494100000000 ] - [ 0.0014366300000000, -0.0002186100000000, -0.0071494100000000 ] - [ 0.0013913100000000, 0.0000000000000000, -0.0072220800000000 ] - [ -0.0044880500000000, 0.0000000000000000, -0.0012329100000000 ] - [ -0.0022140200000000, 0.0004559600000000, -0.0010531000000000 ] - [ -0.0022140200000000, -0.0004559600000000, -0.0010531000000000 ] - [ -0.0109336300000000, 0.0000000000000000, -0.0135694900000000 ] - [ 0.0021597600000000, 0.0004196400000000, -0.0002737700000000 ] - [ 0.0021597600000000, -0.0004196400000000, -0.0002737700000000 ] - [ -0.0013610300000000, 0.0000000000000000, 0.0003493900000000 ] - [ -0.0002880400000000, -0.0001179800000000, -0.0020149700000000 ] - [ -0.0002880400000000, 0.0001179800000000, -0.0020149700000000 ] - [ -0.0112950200000000, 0.0000000000000000, 0.0144068200000000 ] - [ 0.0018224100000000, -0.0003764700000000, 0.0003746000000000 ] - [ 0.0018224100000000, 0.0003764700000000, 0.0003746000000000 ] - [ -0.0022950300000000, 0.0000000000000000, -0.0021582500000000 ] - [ -0.0002153400000000, 0.0000003700000000, -0.0016922800000000 ] - [ -0.0002153400000000, -0.0000003700000000, -0.0016922800000000 ] - [ -0.0111484900000000, 0.0000000000000000, 0.0147190800000000 ] - [ 0.0024937100000000, 0.0003305600000000, 0.0003839200000000 ] - [ 0.0024937100000000, -0.0003305600000000, 0.0003839200000000 ] - [ 0.0562344400000000, 0.0000000000000000, -0.0021401000000000 ] - [ 0.0013398600000000, 0.0001788900000000, -0.0010377800000000 ] - [ 0.0013398600000000, -0.0001788900000000, -0.0010377800000000 ] - [ -0.0005514000000000, 0.0000000000000000, -0.0019305800000000 ] - [ -0.0005273300000000, -0.0000090500000000, -0.0019163300000000 ] - [ -0.0005273300000000, 0.0000090500000000, -0.0019163300000000 ] - [ 0.0027596500000000, 0.0000000000000000, 0.0005542500000000 ] - [ 0.0025581400000000, 0.0000037200000000, 0.0006084300000000 ] - [ 0.0025581400000000, -0.0000037200000000, 0.0006084300000000 ] - [ -0.0012494500000000, 0.0000000000000000, -0.0051957300000000 ] - [ -0.0003994500000000, -0.0001667300000000, -0.0011405200000000 ] - [ -0.0003994500000000, 0.0001667300000000, -0.0011405200000000 ] - [ -0.0095629900000000, 0.0000000000000000, -0.0129186800000000 ] - [ 0.0024071200000000, -0.0003171700000000, 0.0002870800000000 ] - [ 0.0024071200000000, 0.0003171700000000, 0.0002870800000000 ] - [ -0.0023579500000000, 0.0000000000000000, -0.0002787000000000 ] - [ 0.0000010900000000, -0.0000098400000000, -0.0011700700000000 ] - [ 0.0000010900000000, 0.0000098400000000, -0.0011700700000000 ] - [ 0.0030335700000000, 0.0000000000000000, -0.0003601700000000 ] - [ 0.0029731300000000, -0.0000110000000000, -0.0003661400000000 ] - [ 0.0029731300000000, 0.0000110000000000, -0.0003661400000000 ] - [ -0.0003052800000000, 0.0000000000000000, -0.0019308400000000 ] - [ -0.0002729100000000, -0.0000380100000000, -0.0014716300000000 ] - [ -0.0002729100000000, 0.0000380100000000, -0.0014716300000000 ] - [ 0.0015557300000000, 0.0000000000000000, -0.0003730800000000 ] - [ 0.0015010900000000, -0.0000008400000000, -0.0002408100000000 ] - [ 0.0015010900000000, 0.0000008400000000, -0.0002408100000000 ] - [ 0.0004696900000000, 0.0000000000000000, -0.0002985600000000 ] - [ 0.0004314200000000, -0.0000242700000000, -0.0005109900000000 ] - [ 0.0004314200000000, 0.0000242700000000, -0.0005109900000000 ] - [ 0.0022601800000000, 0.0000000000000000, -0.0001890200000000 ] - [ 0.0023162300000000, -0.0000094000000000, -0.0001822800000000 ] - [ 0.0023162300000000, 0.0000094000000000, -0.0001822800000000 ] - [ -0.0001468700000000, 0.0000000000000000, -0.0022913500000000 ] - [ -0.0001265400000000, 0.0000016800000000, -0.0021998400000000 ] - [ -0.0001265400000000, -0.0000016800000000, -0.0021998400000000 ] - [ 0.0018395400000000, 0.0000000000000000, 0.0001425700000000 ] - [ 0.0023554900000000, -0.0000873800000000, 0.0001470000000000 ] - [ 0.0023554900000000, 0.0000873800000000, 0.0001470000000000 ] - [ 0.0019689100000000, 0.0000000000000000, 0.0003440300000000 ] - [ 0.0023329000000000, -0.0000309500000000, 0.0002459400000000 ] - [ 0.0023329000000000, 0.0000309500000000, 0.0002459400000000 ] - [ 0.0038554000000000, -0.0004214900000000, -0.0032159500000000 ] - [ 0.0038554000000000, 0.0004214900000000, -0.0032159500000000 ] - [ 0.0054175100000000, 0.0000000000000000, -0.0033098400000000 ] - [ 0.0045866500000000, 0.0000009100000000, -0.0033561300000000 ] - [ 0.0045866500000000, -0.0000009100000000, -0.0033561300000000 ] - [ 0.0046241800000000, 0.0000000000000000, -0.0033558300000000 ] - [ 0.0087593000000000, 0.0015943400000000, -0.0021397600000000 ] - [ 0.0087593000000000, -0.0015943400000000, -0.0021397600000000 ] - [ 0.0051470000000000, 0.0000000000000000, -0.0026438800000000 ] - [ 0.0069174000000000, 0.0000225900000000, -0.0006958600000000 ] - [ 0.0069174000000000, -0.0000225900000000, -0.0006958600000000 ] - [ 0.0069189200000000, 0.0000000000000000, -0.0006895400000000 ] - [ 0.0086085400000000, 0.0020012800000000, -0.0047644800000000 ] - [ 0.0086085400000000, -0.0020012800000000, -0.0047644800000000 ] - [ 0.0048676700000000, 0.0000000000000000, -0.0042156400000000 ] - [ 0.0052854900000000, 0.0003408700000000, -0.0040979300000000 ] - [ 0.0052854900000000, -0.0003408700000000, -0.0040979300000000 ] - [ 0.0052372600000000, 0.0000000000000000, -0.0040123400000000 ] - [ 0.0068825800000000, 0.0000868500000000, 0.0043419600000000 ] - [ 0.0068825800000000, -0.0000868500000000, 0.0043419600000000 ] - [ 0.0068827300000000, 0.0000000000000000, 0.0043515400000000 ] - [ 0.0007869300000000, -0.0008677900000000, -0.0004909400000000 ] - [ 0.0007869300000000, 0.0008677900000000, -0.0004909400000000 ] - [ 0.0005472500000000, 0.0000000000000000, 0.0001317400000000 ] - [ -0.0018911600000000, 0.0023555800000000, 0.0000852700000000 ] - [ -0.0018911600000000, -0.0023555800000000, 0.0000852700000000 ] - [ -0.0004435900000000, 0.0000000000000000, 0.0000357300000000 ] - [ -0.0009281800000000, 0.0006154000000000, -0.0009670200000000 ] - [ -0.0009281800000000, -0.0006154000000000, -0.0009670200000000 ] - [ -0.0004929200000000, 0.0000000000000000, -0.0003475100000000 ] - [ 0.0033325200000000, -0.0056831100000000, -0.0003965000000000 ] - [ 0.0033325200000000, 0.0056831100000000, -0.0003965000000000 ] - [ 0.0001215700000000, 0.0000000000000000, 0.0000399600000000 ] - [ -0.0002297400000000, -0.0009739800000000, 0.0007464100000000 ] - [ -0.0002297400000000, 0.0009739800000000, 0.0007464100000000 ] - [ -0.0004823200000000, 0.0000000000000000, -0.0000119900000000 ] - [ 0.0000211100000000, -0.0000378700000000, 0.0000377800000000 ] - [ 0.0000211100000000, 0.0000378700000000, 0.0000377800000000 ] - [ 0.0000594000000000, 0.0000000000000000, 0.0000212100000000 ] - [ -0.0005312800000000, -0.0000528700000000, -0.0001231800000000 ] - [ -0.0005312800000000, 0.0000528700000000, -0.0001231800000000 ] - [ -0.0005702500000000, 0.0000000000000000, -0.0001474400000000 ] - [ -0.0095113700000000, 0.0000000000000000, -0.0031538000000000 ] - [ -0.0094499100000000, 0.0000660500000000, -0.0032302100000000 ] - [ -0.0094499100000000, -0.0000660500000000, -0.0032302100000000 ] - [ -0.0109281900000000, 0.0000000000000000, 0.0059893700000000 ] - [ -0.0111576300000000, -0.0000169400000000, 0.0054976400000000 ] - [ -0.0111576300000000, 0.0000169400000000, 0.0054976400000000 ] - [ -0.0038855800000000, 0.0000000000000000, 0.0075571200000000 ] - [ -0.0035254200000000, 0.0001635800000000, 0.0085578900000000 ] - [ -0.0035254200000000, -0.0001635800000000, 0.0085578900000000 ] - [ 0.0087724600000000, 0.0000000000000000, 0.0062032800000000 ] - [ -0.0052397000000000, -0.0005213600000000, 0.0053465900000000 ] - [ -0.0052397000000000, 0.0005213600000000, 0.0053465900000000 ] - [ -0.0239890900000000, 0.0000000000000000, 0.0018994000000000 ] - [ -0.0070453600000000, 0.0009219800000000, 0.0053035300000000 ] - [ -0.0070453600000000, -0.0009219800000000, 0.0053035300000000 ] - [ 0.0078941100000000, 0.0000000000000000, 0.0038029600000000 ] - [ -0.0069242000000000, -0.0002928000000000, 0.0041229800000000 ] - [ -0.0069242000000000, 0.0002928000000000, 0.0041229800000000 ] - [ -0.0228070400000000, 0.0000000000000000, 0.0084476300000000 ] - [ -0.0075170400000000, 0.0006016300000000, 0.0038674300000000 ] - [ -0.0075170400000000, -0.0006016300000000, 0.0038674300000000 ] - [ -0.0067636200000000, 0.0000000000000000, 0.0038384000000000 ] - [ -0.0068736400000000, 0.0000272400000000, 0.0042771800000000 ] - [ -0.0068736400000000, -0.0000272400000000, 0.0042771800000000 ] - [ -0.0087886800000000, 0.0000000000000000, 0.0026053900000000 ] - [ -0.0087579000000000, 0.0000218500000000, 0.0025730200000000 ] - [ -0.0087579000000000, -0.0000218500000000, 0.0025730200000000 ] - [ -0.0070244500000000, 0.0000000000000000, 0.0065317700000000 ] - [ -0.0070721900000000, 0.0002154200000000, 0.0051647900000000 ] - [ -0.0070721900000000, -0.0002154200000000, 0.0051647900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009649400000000, 0.0002703200000000, -0.0005757100000000 ] - [ -0.0001047700000000, 0.0002797800000000, 0.0004482800000000 ] - [ -0.0005342800000000, -0.0004513000000000, -0.0000634800000000 ] - [ -0.0001451100000000, 0.0000490400000000, 0.0000228100000000 ] - [ -0.0001209900000000, 0.0000515200000000, 0.0000940400000000 ] - [ -0.0001328400000000, -0.0001025600000000, 0.0000588700000000 ] - [ -0.0001447800000000, 0.0000526800000000, 0.0002732100000000 ] - [ -0.0001654700000000, 0.0000550400000000, 0.0003470200000000 ] - [ -0.0001554700000000, -0.0001049300000000, 0.0003105500000000 ] - [ 0.0045875800000000, -0.0012223200000000, -0.0026368100000000 ] - [ 0.0043843100000000, -0.0012480300000000, -0.0047763700000000 ] - [ 0.0044877000000000, 0.0023247800000000, -0.0037015500000000 ] - [ 0.0095595900000000, -0.0003134800000000, -0.0033065200000000 ] - [ 0.0097131900000000, -0.0003248800000000, -0.0035834800000000 ] - [ 0.0096368700000000, 0.0006443500000000, -0.0034461000000000 ] - [ 0.0014182400000000, -0.0004675200000000, -0.0068952200000000 ] - [ 0.0013399500000000, -0.0004929400000000, -0.0075342100000000 ] - [ 0.0013785700000000, 0.0014797700000000, -0.0072193100000000 ] - [ -0.0006507200000000, -0.0023229000000000, -0.0012941500000000 ] - [ -0.0010786400000000, 0.0018567000000000, -0.0009701800000000 ] - [ -0.0002219500000000, 0.0018391100000000, -0.0016237400000000 ] - [ 0.0020197300000000, -0.0042292100000000, 0.0002892300000000 ] - [ 0.0008793700000000, 0.0011639000000000, -0.0003190700000000 ] - [ 0.0030513500000000, 0.0011619100000000, 0.0008259700000000 ] - [ -0.0003207900000000, 0.0009076600000000, -0.0019054900000000 ] - [ -0.0001088000000000, 0.0014837800000000, -0.0047810900000000 ] - [ -0.0005269500000000, 0.0014766300000000, 0.0007849400000000 ] - [ 0.0018987900000000, -0.0049544200000000, 0.0000827100000000 ] - [ 0.0028634600000000, 0.0012393400000000, -0.0004385800000000 ] - [ 0.0010390100000000, 0.0012392400000000, 0.0005437600000000 ] - [ -0.0000509800000000, -0.0004576600000000, -0.0013204600000000 ] - [ -0.0000672700000000, 0.0002728000000000, -0.0021508600000000 ] - [ -0.0000328600000000, 0.0002764100000000, -0.0005169400000000 ] - [ 0.0023401000000000, -0.0047536600000000, -0.0001304800000000 ] - [ 0.0013021300000000, 0.0011564300000000, 0.0005677900000000 ] - [ 0.0032524500000000, 0.0011573400000000, -0.0007421300000000 ] - [ 0.0005430100000000, -0.0556763100000000, -0.0011369100000000 ] - [ 0.0005260400000000, 0.0024569400000000, -0.0012199700000000 ] - [ 0.0001663500000000, 0.0024538600000000, -0.0012399900000000 ] - [ -0.0005054900000000, -0.0001180300000000, -0.0019490400000000 ] - [ -0.0005104400000000, 0.0000596100000000, -0.0017410900000000 ] - [ -0.0005002400000000, 0.0000615900000000, -0.0021479600000000 ] - [ 0.0024857800000000, -0.0002858800000000, 0.0005351600000000 ] - [ 0.0023544000000000, 0.0001190300000000, 0.0007614300000000 ] - [ 0.0026093500000000, 0.0001227400000000, 0.0003196200000000 ] - [ -0.0004717600000000, 0.0008778800000000, -0.0012402100000000 ] - [ -0.0005562500000000, 0.0016116800000000, 0.0015850400000000 ] - [ -0.0004001500000000, 0.0016073600000000, -0.0038644400000000 ] - [ 0.0025515600000000, -0.0042858300000000, 0.0004140700000000 ] - [ 0.0036098500000000, 0.0011200700000000, 0.0009669100000000 ] - [ 0.0016067500000000, 0.0011219300000000, -0.0000749000000000 ] - [ 0.0001323100000000, -0.0004574500000000, -0.0015205100000000 ] - [ 0.0001384500000000, 0.0002833700000000, -0.0006998600000000 ] - [ 0.0001252800000000, 0.0002876400000000, -0.0023064700000000 ] - [ 0.0029368700000000, -0.0000696000000000, -0.0003504900000000 ] - [ 0.0029125700000000, 0.0000292400000000, -0.0003634900000000 ] - [ 0.0029576500000000, 0.0000307400000000, -0.0003378200000000 ] - [ -0.0002800400000000, 0.0000138400000000, -0.0014249500000000 ] - [ -0.0002869600000000, 0.0001444200000000, -0.0011100700000000 ] - [ -0.0002765900000000, 0.0001470000000000, -0.0017179200000000 ] - [ 0.0014197500000000, -0.0002007500000000, -0.0001796000000000 ] - [ 0.0012281100000000, 0.0000955700000000, -0.0004265500000000 ] - [ 0.0016009100000000, 0.0000980200000000, 0.0000582400000000 ] - [ 0.0004221900000000, 0.0000798100000000, -0.0004453000000000 ] - [ 0.0003675500000000, 0.0001344000000000, -0.0008863200000000 ] - [ 0.0004689900000000, 0.0001363100000000, -0.0000320700000000 ] - [ 0.0023481400000000, -0.0000518600000000, -0.0001658900000000 ] - [ 0.0023742400000000, 0.0000260900000000, -0.0001773300000000 ] - [ 0.0023241600000000, 0.0000272400000000, -0.0001547800000000 ] - [ -0.0001255300000000, -0.0000908200000000, -0.0020610500000000 ] - [ -0.0001203200000000, 0.0000467500000000, -0.0023303700000000 ] - [ -0.0001307100000000, 0.0000479500000000, -0.0018012400000000 ] - [ 0.0024263700000000, -0.0002893400000000, 0.0001820000000000 ] - [ 0.0026296700000000, 0.0001368400000000, 0.0004142900000000 ] - [ 0.0022325100000000, 0.0001406500000000, -0.0000400400000000 ] - [ 0.0024098100000000, -0.0002294400000000, 0.0002646300000000 ] - [ 0.0025773200000000, 0.0000924600000000, 0.0000188300000000 ] - [ 0.0022514100000000, 0.0000954100000000, 0.0005004000000000 ] - [ 0.0055557600000000, -0.0011820900000000, -0.0042766500000000 ] - [ 0.0054967100000000, -0.0012111600000000, -0.0026451500000000 ] - [ 0.0055274000000000, 0.0023703000000000, -0.0034643000000000 ] - [ 0.0046379200000000, -0.0002846600000000, -0.0036021800000000 ] - [ 0.0046618100000000, -0.0002964100000000, -0.0032117400000000 ] - [ 0.0046500100000000, 0.0005870900000000, -0.0034056600000000 ] - [ 0.0038725600000000, 0.0111401300000000, 0.0116915700000000 ] - [ 0.0060369500000000, 0.0112405800000000, -0.0170751600000000 ] - [ 0.0049471000000000, 0.0048249000000000, -0.0025861400000000 ] - [ 0.0069198500000000, -0.0001186700000000, -0.0006775900000000 ] - [ 0.0069256800000000, -0.0001234900000000, -0.0006676000000000 ] - [ 0.0069227500000000, 0.0002427700000000, -0.0006724500000000 ] - [ 0.0041287200000000, 0.0111349600000000, -0.0187443500000000 ] - [ 0.0053204500000000, 0.0112030000000000, 0.0102814000000000 ] - [ 0.0047199800000000, 0.0044688200000000, -0.0043286600000000 ] - [ 0.0051711700000000, -0.0004121700000000, -0.0042936100000000 ] - [ 0.0052331400000000, -0.0004370200000000, -0.0037085500000000 ] - [ 0.0052024700000000, 0.0013375100000000, -0.0039967500000000 ] - [ 0.0068739600000000, -0.0001081100000000, 0.0043618400000000 ] - [ 0.0068804000000000, -0.0001157700000000, 0.0043709500000000 ] - [ 0.0068773200000000, 0.0003239400000000, 0.0043665100000000 ] - [ 0.0013862300000000, 0.0006669400000000, -0.0008254400000000 ] - [ -0.0005237500000000, 0.0006914100000000, 0.0010470700000000 ] - [ 0.0004291200000000, -0.0011028200000000, 0.0001117300000000 ] - [ -0.0027630300000000, 0.0023192800000000, -0.0000963600000000 ] - [ 0.0019336800000000, 0.0025637100000000, 0.0002611200000000 ] - [ -0.0003019900000000, -0.0020090500000000, 0.0000881200000000 ] - [ -0.0013695800000000, 0.0005490500000000, 0.0009491200000000 ] - [ 0.0005762700000000, 0.0005724500000000, -0.0012912800000000 ] - [ -0.0003943300000000, -0.0009771000000000, -0.0001727000000000 ] - [ 0.0058204100000000, -0.0016580900000000, -0.0002545100000000 ] - [ -0.0058502600000000, -0.0015757000000000, 0.0003453900000000 ] - [ -0.0000363700000000, -0.0019549200000000, 0.0000471500000000 ] - [ 0.0003215500000000, 0.0005609000000000, 0.0010538800000000 ] - [ -0.0014823900000000, 0.0005846000000000, -0.0009755600000000 ] - [ -0.0005830000000000, -0.0009626900000000, 0.0000355200000000 ] - [ 0.0000634300000000, 0.0001042800000000, 0.0001265500000000 ] - [ 0.0001154600000000, 0.0001097600000000, -0.0000665800000000 ] - [ 0.0000903300000000, -0.0002121200000000, 0.0000287200000000 ] - [ -0.0005781400000000, 0.0001098100000000, -0.0000703900000000 ] - [ -0.0006352300000000, 0.0001149500000000, -0.0002528700000000 ] - [ -0.0006074400000000, -0.0002278200000000, -0.0001625300000000 ] - [ -0.0094391500000000, 0.0001028000000000, -0.0033075600000000 ] - [ -0.0094352600000000, -0.0001764900000000, -0.0032419400000000 ] - [ -0.0094385900000000, -0.0001826700000000, -0.0033694200000000 ] - [ -0.0111814300000000, 0.0006838200000000, 0.0051812000000000 ] - [ -0.0112011300000000, -0.0003406100000000, 0.0059130700000000 ] - [ -0.0111626300000000, -0.0003506900000000, 0.0044715900000000 ] - [ -0.0034690900000000, 0.0010682800000000, 0.0084649200000000 ] - [ -0.0032030000000000, -0.0007815400000000, 0.0105890900000000 ] - [ -0.0037177300000000, -0.0008015100000000, 0.0064289800000000 ] - [ -0.0059773300000000, 0.0031964700000000, 0.0049183400000000 ] - [ -0.0054449500000000, -0.0015515800000000, 0.0062377900000000 ] - [ -0.0064858700000000, -0.0015585600000000, 0.0036126600000000 ] - [ -0.0064151300000000, 0.0182464000000000, 0.0055732400000000 ] - [ -0.0066690600000000, -0.0095075300000000, 0.0042677900000000 ] - [ -0.0061249000000000, -0.0094769600000000, 0.0072293100000000 ] - [ -0.0075287300000000, 0.0030463000000000, 0.0047605800000000 ] - [ -0.0073028200000000, -0.0014647300000000, 0.0031035900000000 ] - [ -0.0077403300000000, -0.0014798300000000, 0.0064169400000000 ] - [ -0.0067628600000000, 0.0171145500000000, 0.0037791700000000 ] - [ -0.0071921600000000, -0.0095693400000000, 0.0054514600000000 ] - [ -0.0063281100000000, -0.0095257100000000, 0.0018564900000000 ] - [ -0.0069557300000000, 0.0006394900000000, 0.0044910000000000 ] - [ -0.0069761200000000, -0.0003176400000000, 0.0038352800000000 ] - [ -0.0069346200000000, -0.0003268300000000, 0.0051166800000000 ] - [ -0.0087619700000000, 0.0002017400000000, 0.0025051500000000 ] - [ -0.0087564800000000, -0.0000989900000000, 0.0025360400000000 ] - [ -0.0087661600000000, -0.0001035400000000, 0.0024753400000000 ] - [ -0.0069986700000000, 0.0008662000000000, 0.0051858400000000 ] - [ -0.0071047400000000, -0.0006640100000000, 0.0032835100000000 ] - [ -0.0068960400000000, -0.0006824100000000, 0.0070007300000000 ]- atom: 37 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0016242700000000, -0.0014478600000000, -0.0011309700000000 ] - [ -0.0016242700000000, 0.0014478600000000, -0.0011309700000000 ] - [ -0.0007951700000000, 0.0000000000000000, -0.0001035800000000 ] - [ -0.0002374000000000, -0.0002546800000000, -0.0011194300000000 ] - [ -0.0002374000000000, 0.0002546800000000, -0.0011194300000000 ] - [ -0.0001908200000000, 0.0000000000000000, -0.0008608800000000 ] - [ -0.0000663600000000, -0.0002573700000000, -0.0009952400000000 ] - [ -0.0000663600000000, 0.0002573700000000, -0.0009952400000000 ] - [ -0.0001072600000000, 0.0000000000000000, -0.0007151600000000 ] - [ 0.0040412800000000, 0.0047078000000000, -0.0063257500000000 ] - [ 0.0040412800000000, -0.0047078000000000, -0.0063257500000000 ] - [ 0.0043628500000000, 0.0000000000000000, -0.0054520900000000 ] - [ 0.0092806500000000, 0.0018150500000000, -0.0021701100000000 ] - [ 0.0092806500000000, -0.0018150500000000, -0.0021701100000000 ] - [ 0.0095241500000000, 0.0000000000000000, -0.0027407300000000 ] - [ 0.0016770000000000, 0.0034371300000000, -0.0047563000000000 ] - [ 0.0016770000000000, -0.0034371300000000, -0.0047563000000000 ] - [ 0.0015767600000000, 0.0000000000000000, -0.0057929500000000 ] - [ -0.0007302700000000, 0.0000000000000000, -0.0213963500000000 ] - [ -0.0005839900000000, -0.0002573600000000, -0.0088452800000000 ] - [ -0.0005839900000000, 0.0002573600000000, -0.0088452800000000 ] - [ 0.0271490700000000, 0.0000000000000000, 0.0099845800000000 ] - [ 0.0035884500000000, -0.0015774800000000, -0.0015318900000000 ] - [ 0.0035884500000000, 0.0015774800000000, -0.0015318900000000 ] - [ -0.0016006300000000, 0.0000000000000000, 0.0314960400000000 ] - [ -0.0003440000000000, -0.0025925800000000, 0.0008942800000000 ] - [ -0.0003440000000000, 0.0025925800000000, 0.0008942800000000 ] - [ -0.0256833700000000, 0.0000000000000000, 0.0080413600000000 ] - [ -0.0000307800000000, -0.0017735600000000, -0.0022145800000000 ] - [ -0.0000307800000000, 0.0017735600000000, -0.0022145800000000 ] - [ -0.0018700900000000, 0.0000000000000000, 0.0043107000000000 ] - [ -0.0007852200000000, -0.0008312800000000, -0.0011184000000000 ] - [ -0.0007852200000000, 0.0008312800000000, -0.0011184000000000 ] - [ -0.0246598000000000, 0.0000000000000000, 0.0091892700000000 ] - [ 0.0004945300000000, 0.0016307900000000, -0.0020623800000000 ] - [ 0.0004945300000000, -0.0016307900000000, -0.0020623800000000 ] - [ 0.0008737200000000, 0.0000000000000000, -0.2275553900000000 ] - [ 0.0001477300000000, -0.0000168500000000, -0.0150962200000000 ] - [ 0.0001477300000000, 0.0000168500000000, -0.0150962200000000 ] - [ -0.0003073100000000, 0.0000000000000000, 0.0038728600000000 ] - [ -0.0003717700000000, 0.0002190000000000, 0.0016628800000000 ] - [ -0.0003717700000000, -0.0002190000000000, 0.0016628800000000 ] - [ 0.0007246400000000, 0.0000000000000000, 0.0034742500000000 ] - [ 0.0019167700000000, 0.0005551100000000, 0.0015823800000000 ] - [ 0.0019167700000000, -0.0005551100000000, 0.0015823800000000 ] - [ -0.0035285200000000, 0.0000000000000000, 0.0330144400000000 ] - [ -0.0004558600000000, 0.0027591400000000, 0.0008384300000000 ] - [ -0.0004558600000000, -0.0027591400000000, 0.0008384300000000 ] - [ 0.0300127200000000, 0.0000000000000000, 0.0075961600000000 ] - [ 0.0044717900000000, 0.0017218800000000, -0.0016170100000000 ] - [ 0.0044717900000000, -0.0017218800000000, -0.0016170100000000 ] - [ 0.0006265300000000, 0.0000000000000000, 0.0031037400000000 ] - [ 0.0002626900000000, 0.0008366200000000, -0.0020359000000000 ] - [ 0.0002626900000000, -0.0008366200000000, -0.0020359000000000 ] - [ 0.0030438800000000, 0.0000000000000000, 0.0019239000000000 ] - [ 0.0029831100000000, 0.0000559400000000, 0.0011691800000000 ] - [ 0.0029831100000000, -0.0000559400000000, 0.0011691800000000 ] - [ -0.0003574300000000, 0.0000000000000000, 0.0076629100000000 ] - [ -0.0002949700000000, 0.0003481700000000, 0.0031345500000000 ] - [ -0.0002949700000000, -0.0003481700000000, 0.0031345500000000 ] - [ 0.0035579700000000, 0.0000000000000000, 0.0025236500000000 ] - [ 0.0021671900000000, -0.0004130300000000, 0.0006779500000000 ] - [ 0.0021671900000000, 0.0004130300000000, 0.0006779500000000 ] - [ 0.0007948300000000, 0.0000000000000000, 0.0109394300000000 ] - [ 0.0003767000000000, -0.0002959200000000, 0.0053737800000000 ] - [ 0.0003767000000000, 0.0002959200000000, 0.0053737800000000 ] - [ 0.0022988200000000, 0.0000000000000000, 0.0018651000000000 ] - [ 0.0023183100000000, 0.0000104700000000, 0.0011886300000000 ] - [ 0.0023183100000000, -0.0000104700000000, 0.0011886300000000 ] - [ -0.0002967100000000, 0.0000000000000000, 0.0051568900000000 ] - [ -0.0001797900000000, -0.0001720800000000, 0.0025815100000000 ] - [ -0.0001797900000000, 0.0001720800000000, 0.0025815100000000 ] - [ 0.0047723700000000, 0.0000000000000000, 0.0031225800000000 ] - [ 0.0030830500000000, 0.0006622100000000, 0.0012653600000000 ] - [ 0.0030830500000000, -0.0006622100000000, 0.0012653600000000 ] - [ 0.0004595700000000, 0.0000000000000000, 0.0031472600000000 ] - [ 0.0017534700000000, -0.0004745800000000, 0.0012619400000000 ] - [ 0.0017534700000000, 0.0004745800000000, 0.0012619400000000 ] - [ 0.0059620700000000, -0.0044916400000000, -0.0060358600000000 ] - [ 0.0059620700000000, 0.0044916400000000, -0.0060358600000000 ] - [ 0.0055886900000000, 0.0000000000000000, -0.0050801600000000 ] - [ 0.0047249700000000, -0.0016732100000000, -0.0019305100000000 ] - [ 0.0047249700000000, 0.0016732100000000, -0.0019305100000000 ] - [ 0.0046568900000000, 0.0000000000000000, -0.0026091200000000 ] - [ 0.0046026000000000, 0.0304717800000000, 0.0070530500000000 ] - [ 0.0046026000000000, -0.0304717800000000, 0.0070530500000000 ] - [ 0.0053845000000000, 0.0000000000000000, -0.0048297700000000 ] - [ 0.0069959500000000, -0.0000077100000000, 0.0010303700000000 ] - [ 0.0069959500000000, 0.0000077100000000, 0.0010303700000000 ] - [ 0.0069805800000000, 0.0000000000000000, 0.0007585400000000 ] - [ 0.0045488100000000, -0.0306329400000000, 0.0042573000000000 ] - [ 0.0045488100000000, 0.0306329400000000, 0.0042573000000000 ] - [ 0.0043955600000000, 0.0000000000000000, -0.0062392400000000 ] - [ 0.0051853400000000, -0.0033624100000000, -0.0015087800000000 ] - [ 0.0051853400000000, 0.0033624100000000, -0.0015087800000000 ] - [ 0.0051166800000000, 0.0000000000000000, -0.0025739400000000 ] - [ 0.0067865800000000, 0.0000139700000000, 0.0062424300000000 ] - [ 0.0067865800000000, -0.0000139700000000, 0.0062424300000000 ] - [ 0.0067984700000000, 0.0000000000000000, 0.0059344200000000 ] - [ 0.0032260200000000, -0.0039923700000000, -0.0023921900000000 ] - [ 0.0032260200000000, 0.0039923700000000, -0.0023921900000000 ] - [ 0.0011162000000000, 0.0000000000000000, 0.0000163300000000 ] - [ -0.0018428400000000, -0.0015360900000000, 0.0127204400000000 ] - [ -0.0018428400000000, 0.0015360900000000, 0.0127204400000000 ] - [ -0.0002530700000000, 0.0000000000000000, 0.0039337000000000 ] - [ 0.0022475200000000, 0.0032728300000000, -0.0021373900000000 ] - [ 0.0022475200000000, -0.0032728300000000, -0.0021373900000000 ] - [ 0.0002168800000000, 0.0000000000000000, 0.0000414900000000 ] - [ 0.0012307000000000, -0.0011543700000000, 0.0131501700000000 ] - [ 0.0012307000000000, 0.0011543700000000, 0.0131501700000000 ] - [ -0.0000405200000000, 0.0000000000000000, 0.0043714100000000 ] - [ -0.0031551800000000, 0.0037267600000000, -0.0024340400000000 ] - [ -0.0031551800000000, -0.0037267600000000, -0.0024340400000000 ] - [ -0.0011515600000000, 0.0000000000000000, 0.0001850200000000 ] - [ 0.0003603200000000, 0.0005236500000000, -0.0024917300000000 ] - [ 0.0003603200000000, -0.0005236500000000, -0.0024917300000000 ] - [ 0.0002457200000000, 0.0000000000000000, -0.0018158900000000 ] - [ -0.0009182100000000, 0.0005822800000000, -0.0025331200000000 ] - [ -0.0009182100000000, -0.0005822800000000, -0.0025331200000000 ] - [ -0.0007879800000000, 0.0000000000000000, -0.0018872000000000 ] - [ -0.0084305800000000, 0.0000000000000000, -0.0147044300000000 ] - [ -0.0088342000000000, -0.0000031500000000, -0.0106038100000000 ] - [ -0.0088342000000000, 0.0000031500000000, -0.0106038100000000 ] - [ -0.0103765400000000, 0.0000000000000000, -0.0041833800000000 ] - [ -0.0107704600000000, 0.0016995200000000, 0.0011076500000000 ] - [ -0.0107704600000000, -0.0016995200000000, 0.0011076500000000 ] - [ -0.0062243200000000, 0.0000000000000000, -0.0111310300000000 ] - [ -0.0043959200000000, 0.0028160600000000, 0.0019347600000000 ] - [ -0.0043959200000000, -0.0028160600000000, 0.0019347600000000 ] - [ -0.0078897900000000, 0.0000000000000000, 0.0149604800000000 ] - [ -0.0057311600000000, 0.0032726500000000, 0.0098447800000000 ] - [ -0.0057311600000000, -0.0032726500000000, 0.0098447800000000 ] - [ 0.0020665600000000, 0.0000000000000000, 0.0623412800000000 ] - [ -0.0062033300000000, -0.0157748200000000, 0.0147118500000000 ] - [ -0.0062033300000000, 0.0157748200000000, 0.0147118500000000 ] - [ -0.0065806800000000, 0.0000000000000000, 0.0172436900000000 ] - [ -0.0074501000000000, -0.0030225300000000, 0.0111067500000000 ] - [ -0.0074501000000000, 0.0030225300000000, 0.0111067500000000 ] - [ -0.0062289800000000, 0.0000000000000000, 0.0144413400000000 ] - [ -0.0067677600000000, 0.0161158700000000, 0.0114112500000000 ] - [ -0.0067677600000000, -0.0161158700000000, 0.0114112500000000 ] - [ -0.0071931200000000, 0.0000000000000000, -0.0028618100000000 ] - [ -0.0069811800000000, -0.0014920700000000, 0.0019843800000000 ] - [ -0.0069811800000000, 0.0014920700000000, 0.0019843800000000 ] - [ -0.0092684600000000, 0.0000000000000000, -0.0055525000000000 ] - [ -0.0090492000000000, -0.0000272100000000, -0.0030235800000000 ] - [ -0.0090492000000000, 0.0000272100000000, -0.0030235800000000 ] - [ -0.0079926500000000, 0.0000000000000000, -0.0121037000000000 ] - [ -0.0072591200000000, -0.0024471100000000, 0.0006927200000000 ] - [ -0.0072591200000000, 0.0024471100000000, 0.0006927200000000 ]- atom: 37 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ 0.0005634500000000, 0.0014569000000000, 0.0009894000000000 ] - [ 0.0005634500000000, -0.0014569000000000, 0.0009894000000000 ] - [ -0.0002720100000000, 0.0000000000000000, -0.0000344800000000 ] - [ -0.0000257500000000, 0.0002576300000000, 0.0012402600000000 ] - [ -0.0000257500000000, -0.0002576300000000, 0.0012402600000000 ] - [ -0.0000728700000000, 0.0000000000000000, 0.0009794100000000 ] - [ -0.0002472800000000, 0.0002605400000000, 0.0016199400000000 ] - [ -0.0002472800000000, -0.0002605400000000, 0.0016199400000000 ] - [ -0.0002054800000000, 0.0000000000000000, 0.0013377300000000 ] - [ 0.0049477500000000, -0.0047285400000000, -0.0010291800000000 ] - [ 0.0049477500000000, 0.0047285400000000, -0.0010291800000000 ] - [ 0.0046162600000000, 0.0000000000000000, -0.0019312200000000 ] - [ 0.0099934900000000, -0.0018305300000000, -0.0047159100000000 ] - [ 0.0099934900000000, 0.0018305300000000, -0.0047159100000000 ] - [ 0.0097487400000000, 0.0000000000000000, -0.0041428900000000 ] - [ 0.0010801200000000, -0.0034775000000000, -0.0096871600000000 ] - [ 0.0010801200000000, 0.0034775000000000, -0.0096871600000000 ] - [ 0.0011811400000000, 0.0000000000000000, -0.0086382600000000 ] - [ -0.0005209600000000, 0.0000000000000000, 0.0188064200000000 ] - [ -0.0006979200000000, 0.0002162000000000, 0.0062453800000000 ] - [ -0.0006979200000000, -0.0002162000000000, 0.0062453800000000 ] - [ -0.0234356400000000, 0.0000000000000000, -0.0094699700000000 ] - [ 0.0003422800000000, 0.0015679100000000, 0.0020710600000000 ] - [ 0.0003422800000000, -0.0015679100000000, 0.0020710600000000 ] - [ 0.0010111800000000, 0.0000000000000000, -0.0359192900000000 ] - [ -0.0002933200000000, 0.0026045700000000, -0.0048406300000000 ] - [ -0.0002933200000000, -0.0026045700000000, -0.0048406300000000 ] - [ 0.0299863800000000, 0.0000000000000000, -0.0078289800000000 ] - [ 0.0039475100000000, 0.0017680300000000, 0.0023529800000000 ] - [ 0.0039475100000000, -0.0017680300000000, 0.0023529800000000 ] - [ 0.0017960600000000, 0.0000000000000000, -0.0069643800000000 ] - [ 0.0006915300000000, 0.0008347200000000, -0.0015029000000000 ] - [ 0.0006915300000000, -0.0008347200000000, -0.0015029000000000 ] - [ 0.0291020900000000, 0.0000000000000000, -0.0094693200000000 ] - [ 0.0040583600000000, -0.0016428400000000, 0.0018594900000000 ] - [ 0.0040583600000000, 0.0016428400000000, 0.0018594900000000 ] - [ -0.0012908200000000, 0.0000000000000000, 0.2228925400000000 ] - [ 0.0005283100000000, 0.0000035600000000, 0.0126461300000000 ] - [ 0.0005283100000000, -0.0000035600000000, 0.0126461300000000 ] - [ -0.0007002300000000, 0.0000000000000000, -0.0077767700000000 ] - [ -0.0006377900000000, -0.0002172900000000, -0.0055683500000000 ] - [ -0.0006377900000000, 0.0002172900000000, -0.0055683500000000 ] - [ 0.0042152300000000, 0.0000000000000000, -0.0023938300000000 ] - [ 0.0030439500000000, -0.0005527900000000, -0.0005108800000000 ] - [ 0.0030439500000000, 0.0005527900000000, -0.0005108800000000 ] - [ 0.0025249100000000, 0.0000000000000000, -0.0348986000000000 ] - [ -0.0005017700000000, -0.0027585900000000, -0.0031780700000000 ] - [ -0.0005017700000000, 0.0027585900000000, -0.0031780700000000 ] - [ -0.0244822200000000, 0.0000000000000000, -0.0068351900000000 ] - [ 0.0007516500000000, -0.0017300500000000, 0.0024846500000000 ] - [ 0.0007516500000000, 0.0017300500000000, 0.0024846500000000 ] - [ -0.0003433500000000, 0.0000000000000000, -0.0061665800000000 ] - [ 0.0000020800000000, -0.0008363400000000, -0.0010171300000000 ] - [ 0.0000020800000000, 0.0008363400000000, -0.0010171300000000 ] - [ 0.0028237700000000, 0.0000000000000000, -0.0026297800000000 ] - [ 0.0028860600000000, -0.0000545400000000, -0.0018729900000000 ] - [ 0.0028860600000000, 0.0000545400000000, -0.0018729900000000 ] - [ -0.0002082100000000, 0.0000000000000000, -0.0104813100000000 ] - [ -0.0002685700000000, -0.0003441300000000, -0.0059767100000000 ] - [ -0.0002685700000000, 0.0003441300000000, -0.0059767100000000 ] - [ -0.0007550200000000, 0.0000000000000000, -0.0029009400000000 ] - [ 0.0006570600000000, 0.0004164100000000, -0.0010383600000000 ] - [ 0.0006570600000000, -0.0004164100000000, -0.0010383600000000 ] - [ 0.0000338100000000, 0.0000000000000000, -0.0119020300000000 ] - [ 0.0004605900000000, 0.0003003100000000, -0.0062925500000000 ] - [ 0.0004605900000000, -0.0003003100000000, -0.0062925500000000 ] - [ 0.0024037900000000, 0.0000000000000000, -0.0022002400000000 ] - [ 0.0023813800000000, -0.0000090500000000, -0.0015223400000000 ] - [ 0.0023813800000000, 0.0000090500000000, -0.0015223400000000 ] - [ 0.0000491000000000, 0.0000000000000000, -0.0092978000000000 ] - [ -0.0000710900000000, 0.0001742500000000, -0.0067054000000000 ] - [ -0.0000710900000000, -0.0001742500000000, -0.0067054000000000 ] - [ 0.0001256800000000, 0.0000000000000000, -0.0027475700000000 ] - [ 0.0017819900000000, -0.0006589900000000, -0.0009005100000000 ] - [ 0.0017819900000000, 0.0006589900000000, -0.0009005100000000 ] - [ 0.0043950600000000, 0.0000000000000000, -0.0026400800000000 ] - [ 0.0030803900000000, 0.0004788500000000, -0.0007356800000000 ] - [ 0.0030803900000000, -0.0004788500000000, -0.0007356800000000 ] - [ 0.0051042200000000, 0.0044923400000000, -0.0009295600000000 ] - [ 0.0051042200000000, -0.0044923400000000, -0.0009295600000000 ] - [ 0.0054677800000000, 0.0000000000000000, -0.0018662000000000 ] - [ 0.0045761300000000, 0.0016666900000000, -0.0048917300000000 ] - [ 0.0045761300000000, -0.0016666900000000, -0.0048917300000000 ] - [ 0.0046433700000000, 0.0000000000000000, -0.0042121600000000 ] - [ 0.0052873300000000, -0.0308077200000000, -0.0121603800000000 ] - [ 0.0052873300000000, 0.0308077200000000, -0.0121603800000000 ] - [ 0.0045051200000000, 0.0000000000000000, -0.0003199000000000 ] - [ 0.0068495600000000, 0.0000005300000000, -0.0023781700000000 ] - [ 0.0068495600000000, -0.0000005300000000, -0.0023781700000000 ] - [ 0.0068646000000000, 0.0000000000000000, -0.0021058900000000 ] - [ 0.0048836800000000, 0.0304101100000000, -0.0130365100000000 ] - [ 0.0048836800000000, -0.0304101100000000, -0.0130365100000000 ] - [ 0.0050417800000000, 0.0000000000000000, -0.0024367800000000 ] - [ 0.0052178800000000, 0.0033306500000000, -0.0064878900000000 ] - [ 0.0052178800000000, -0.0033306500000000, -0.0064878900000000 ] - [ 0.0052867900000000, 0.0000000000000000, -0.0054315500000000 ] - [ 0.0069681600000000, -0.0000231800000000, 0.0024875800000000 ] - [ 0.0069681600000000, 0.0000231800000000, 0.0024875800000000 ] - [ 0.0069561200000000, 0.0000000000000000, 0.0027958900000000 ] - [ -0.0023877200000000, 0.0040254200000000, 0.0025987200000000 ] - [ -0.0023877200000000, -0.0040254200000000, 0.0025987200000000 ] - [ -0.0002606600000000, 0.0000000000000000, 0.0001875000000000 ] - [ 0.0010567700000000, 0.0013184300000000, -0.0125909000000000 ] - [ 0.0010567700000000, -0.0013184300000000, -0.0125909000000000 ] - [ -0.0003452900000000, 0.0000000000000000, -0.0037630800000000 ] - [ -0.0030234000000000, -0.0032635600000000, 0.0018302800000000 ] - [ -0.0030234000000000, 0.0032635600000000, 0.0018302800000000 ] - [ -0.0010050300000000, 0.0000000000000000, -0.0003644500000000 ] - [ -0.0011134300000000, 0.0009902800000000, -0.0130915000000000 ] - [ -0.0011134300000000, -0.0009902800000000, -0.0130915000000000 ] - [ -0.0000380200000000, 0.0000000000000000, -0.0042834800000000 ] - [ 0.0019791700000000, -0.0037080000000000, 0.0025329100000000 ] - [ 0.0019791700000000, 0.0037080000000000, 0.0025329100000000 ] - [ -0.0000145400000000, 0.0000000000000000, -0.0000927400000000 ] - [ -0.0001764700000000, -0.0005189000000000, 0.0025548000000000 ] - [ -0.0001764700000000, 0.0005189000000000, 0.0025548000000000 ] - [ -0.0000635500000000, 0.0000000000000000, 0.0018809000000000 ] - [ -0.0003008100000000, -0.0005764200000000, 0.0022132200000000 ] - [ -0.0003008100000000, 0.0005764200000000, 0.0022132200000000 ] - [ -0.0004283100000000, 0.0000000000000000, 0.0015704900000000 ] - [ -0.0104418700000000, 0.0000000000000000, 0.0081098000000000 ] - [ -0.0100399800000000, -0.0000043600000000, 0.0040017500000000 ] - [ -0.0100399800000000, 0.0000043600000000, 0.0040017500000000 ] - [ -0.0119915100000000, 0.0000000000000000, 0.0145668100000000 ] - [ -0.0115911700000000, -0.0017126500000000, 0.0092446000000000 ] - [ -0.0115911700000000, 0.0017126500000000, 0.0092446000000000 ] - [ -0.0006781600000000, 0.0000000000000000, 0.0282652200000000 ] - [ -0.0025274800000000, -0.0028469300000000, 0.0150519700000000 ] - [ -0.0025274800000000, 0.0028469300000000, 0.0150519700000000 ] - [ -0.0041383000000000, 0.0000000000000000, -0.0051865100000000 ] - [ -0.0062222200000000, -0.0032676700000000, -0.0000693100000000 ] - [ -0.0062222200000000, 0.0032676700000000, -0.0000693100000000 ] - [ -0.0142846100000000, 0.0000000000000000, -0.0437520600000000 ] - [ -0.0065852400000000, 0.0157722700000000, -0.0031560300000000 ] - [ -0.0065852400000000, -0.0157722700000000, -0.0031560300000000 ] - [ -0.0086013300000000, 0.0000000000000000, -0.0076392900000000 ] - [ -0.0076020100000000, 0.0030380600000000, -0.0015092200000000 ] - [ -0.0076020100000000, -0.0030380600000000, -0.0015092200000000 ] - [ -0.0070427200000000, 0.0000000000000000, -0.0117188800000000 ] - [ -0.0067450200000000, -0.0161805500000000, -0.0041750200000000 ] - [ -0.0067450200000000, 0.0161805500000000, -0.0041750200000000 ] - [ -0.0067233700000000, 0.0000000000000000, 0.0118609200000000 ] - [ -0.0069305300000000, 0.0014860100000000, 0.0070073900000000 ] - [ -0.0069305300000000, -0.0014860100000000, 0.0070073900000000 ] - [ -0.0082558700000000, 0.0000000000000000, 0.0105776300000000 ] - [ -0.0084739700000000, 0.0000221900000000, 0.0080422500000000 ] - [ -0.0084739700000000, -0.0000221900000000, 0.0080422500000000 ] - [ -0.0060140800000000, 0.0000000000000000, 0.0223226700000000 ] - [ -0.0067402500000000, 0.0024264800000000, 0.0096404600000000 ] - [ -0.0067402500000000, -0.0024264800000000, 0.0096404600000000 ]- atom: 40 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005579200000000, 0.0000251300000000, -0.0000812900000000 ] - [ -0.0005579200000000, -0.0000251300000000, -0.0000812900000000 ] - [ -0.0005478200000000, 0.0000000000000000, -0.0000665800000000 ] - [ -0.0002338900000000, 0.0004430400000000, -0.0002531700000000 ] - [ -0.0002338900000000, -0.0004430400000000, -0.0002531700000000 ] - [ -0.0001809100000000, 0.0000000000000000, 0.0000664000000000 ] - [ 0.0001355500000000, -0.0002938600000000, 0.0006212300000000 ] - [ 0.0001355500000000, 0.0002938600000000, 0.0006212300000000 ] - [ -0.0001001300000000, 0.0000000000000000, 0.0003835100000000 ] - [ 0.0044831700000000, -0.0000903500000000, -0.0036858000000000 ] - [ 0.0044831700000000, 0.0000903500000000, -0.0036858000000000 ] - [ 0.0044815400000000, 0.0000000000000000, -0.0036849100000000 ] - [ 0.0095694600000000, -0.0002885800000000, -0.0033567100000000 ] - [ 0.0095694600000000, 0.0002885800000000, -0.0033567100000000 ] - [ 0.0096084600000000, 0.0000000000000000, -0.0034269900000000 ] - [ 0.0014004900000000, -0.0000760000000000, -0.0072571400000000 ] - [ 0.0014004900000000, 0.0000760000000000, -0.0072571400000000 ] - [ 0.0013789700000000, 0.0000000000000000, -0.0072610300000000 ] - [ -0.0006599500000000, 0.0000000000000000, -0.0016777600000000 ] - [ -0.0006554900000000, 0.0000349900000000, -0.0012679100000000 ] - [ -0.0006554900000000, -0.0000349900000000, -0.0012679100000000 ] - [ 0.0020571300000000, 0.0000000000000000, 0.0002888500000000 ] - [ 0.0020054700000000, 0.0000111300000000, 0.0002705300000000 ] - [ 0.0020054700000000, -0.0000111300000000, 0.0002705300000000 ] - [ -0.0002826200000000, 0.0000000000000000, -0.0019525000000000 ] - [ -0.0003242800000000, 0.0000121200000000, -0.0020181400000000 ] - [ -0.0003242800000000, -0.0000121200000000, -0.0020181400000000 ] - [ 0.0018487500000000, 0.0000000000000000, 0.0000998400000000 ] - [ 0.0019176800000000, 0.0000129500000000, 0.0000722800000000 ] - [ 0.0019176800000000, -0.0000129500000000, 0.0000722800000000 ] - [ -0.0001001500000000, 0.0000000000000000, -0.0009042100000000 ] - [ -0.0000584600000000, 0.0000363800000000, -0.0012877600000000 ] - [ -0.0000584600000000, -0.0000363800000000, -0.0012877600000000 ] - [ 0.0028485200000000, 0.0000000000000000, -0.0000901100000000 ] - [ 0.0023577100000000, 0.0000641500000000, -0.0000893500000000 ] - [ 0.0023577100000000, -0.0000641500000000, -0.0000893500000000 ] - [ 0.0003901300000000, 0.0000000000000000, -0.0010407500000000 ] - [ 0.0003656400000000, 0.0000050500000000, -0.0011024700000000 ] - [ 0.0003656400000000, -0.0000050500000000, -0.0011024700000000 ] - [ -0.0613268800000000, 0.0000000000000000, -0.0094037000000000 ] - [ -0.0017445800000000, -0.0002956000000000, -0.0021174400000000 ] - [ -0.0017445800000000, 0.0002956000000000, -0.0021174400000000 ] - [ 0.0149682500000000, 0.0000000000000000, -0.0119637200000000 ] - [ 0.0026568600000000, 0.0004024700000000, 0.0002029200000000 ] - [ 0.0026568600000000, -0.0004024700000000, 0.0002029200000000 ] - [ 0.0021485400000000, 0.0000000000000000, 0.0002088600000000 ] - [ -0.0003254400000000, -0.0000038400000000, -0.0007729900000000 ] - [ -0.0003254400000000, 0.0000038400000000, -0.0007729900000000 ] - [ 0.0024066200000000, 0.0000000000000000, 0.0006051900000000 ] - [ 0.0025416100000000, -0.0000200500000000, 0.0005513800000000 ] - [ 0.0025416100000000, 0.0000200500000000, 0.0005513800000000 ] - [ 0.0010239100000000, 0.0000000000000000, -0.0052860100000000 ] - [ 0.0000527000000000, 0.0001571500000000, -0.0014990000000000 ] - [ 0.0000527000000000, -0.0001571500000000, -0.0014990000000000 ] - [ 0.0219725900000000, 0.0000000000000000, 0.0151182500000000 ] - [ 0.0032688900000000, 0.0004535100000000, -0.0000560600000000 ] - [ 0.0032688900000000, -0.0004535100000000, -0.0000560600000000 ] - [ 0.0043143000000000, 0.0000000000000000, -0.0022728100000000 ] - [ 0.0014504400000000, -0.0007814200000000, -0.0016546900000000 ] - [ 0.0014504400000000, 0.0007814200000000, -0.0016546900000000 ] - [ 0.0018651100000000, 0.0000000000000000, -0.0000715100000000 ] - [ 0.0015059600000000, 0.0000221400000000, -0.0001963600000000 ] - [ 0.0015059600000000, -0.0000221400000000, -0.0001963600000000 ] - [ 0.0028282400000000, 0.0000000000000000, -0.0006259200000000 ] - [ 0.0005343700000000, -0.0000024300000000, -0.0008317000000000 ] - [ 0.0005343700000000, 0.0000024300000000, -0.0008317000000000 ] - [ 0.0140587700000000, 0.0000000000000000, -0.0115647300000000 ] - [ 0.0021860300000000, -0.0001899900000000, -0.0005655500000000 ] - [ 0.0021860300000000, 0.0001899900000000, -0.0005655500000000 ] - [ 0.0012602300000000, 0.0000000000000000, 0.0007815700000000 ] - [ -0.0001208200000000, 0.0001379700000000, -0.0020626900000000 ] - [ -0.0001208200000000, -0.0001379700000000, -0.0020626900000000 ] - [ 0.0147925400000000, 0.0000000000000000, 0.0147980900000000 ] - [ 0.0022483400000000, -0.0004747600000000, 0.0008127900000000 ] - [ 0.0022483400000000, 0.0004747600000000, 0.0008127900000000 ] - [ 0.0023702500000000, 0.0000000000000000, 0.0002030900000000 ] - [ 0.0023299400000000, 0.0000171300000000, 0.0002224000000000 ] - [ 0.0023299400000000, -0.0000171300000000, 0.0002224000000000 ] - [ 0.0054308800000000, -0.0002681000000000, -0.0035419900000000 ] - [ 0.0054308800000000, 0.0002681000000000, -0.0035419900000000 ] - [ 0.0054893300000000, 0.0000000000000000, -0.0034540200000000 ] - [ 0.0007226900000000, -0.0019073100000000, -0.0040594200000000 ] - [ 0.0007226900000000, 0.0019073100000000, -0.0040594200000000 ] - [ 0.0044305200000000, 0.0000000000000000, -0.0033227400000000 ] - [ 0.0049474500000000, -0.0000321200000000, -0.0025583400000000 ] - [ 0.0049474500000000, 0.0000321200000000, -0.0025583400000000 ] - [ 0.0049481500000000, 0.0000000000000000, -0.0025617400000000 ] - [ 0.0027717000000000, -0.0022996600000000, -0.0000584400000000 ] - [ 0.0027717000000000, 0.0022996600000000, -0.0000584400000000 ] - [ 0.0067267800000000, 0.0000000000000000, -0.0008179700000000 ] - [ 0.0047841400000000, 0.0000328800000000, -0.0042333100000000 ] - [ 0.0047841400000000, -0.0000328800000000, -0.0042333100000000 ] - [ 0.0047480900000000, 0.0000000000000000, -0.0042541800000000 ] - [ 0.0069968800000000, 0.0003795600000000, -0.0037784800000000 ] - [ 0.0069968800000000, -0.0003795600000000, -0.0037784800000000 ] - [ 0.0053544800000000, 0.0000000000000000, -0.0038739300000000 ] - [ 0.0086487800000000, 0.0000862000000000, 0.0041529000000000 ] - [ 0.0086487800000000, -0.0000862000000000, 0.0041529000000000 ] - [ 0.0070145600000000, 0.0000000000000000, 0.0041804400000000 ] - [ 0.0004986300000000, 0.0000463200000000, 0.0000945000000000 ] - [ 0.0004986300000000, -0.0000463200000000, 0.0000945000000000 ] - [ 0.0004654200000000, 0.0000000000000000, 0.0001092000000000 ] - [ -0.0003697700000000, 0.0000422800000000, 0.0000712700000000 ] - [ -0.0003697700000000, -0.0000422800000000, 0.0000712700000000 ] - [ -0.0003367600000000, 0.0000000000000000, 0.0000616300000000 ] - [ -0.0007348300000000, 0.0007337400000000, 0.0003983600000000 ] - [ -0.0007348300000000, -0.0007337400000000, 0.0003983600000000 ] - [ -0.0005041000000000, 0.0000000000000000, -0.0002015600000000 ] - [ 0.0000338100000000, 0.0000315300000000, 0.0000018100000000 ] - [ 0.0000338100000000, -0.0000315300000000, 0.0000018100000000 ] - [ -0.0000020300000000, 0.0000000000000000, -0.0000004100000000 ] - [ -0.0000516400000000, -0.0005746400000000, -0.0007261300000000 ] - [ -0.0000516400000000, 0.0005746400000000, -0.0007261300000000 ] - [ -0.0004814600000000, 0.0000000000000000, -0.0001602600000000 ] - [ -0.0028000400000000, 0.0060015100000000, 0.0004261100000000 ] - [ -0.0028000400000000, -0.0060015100000000, 0.0004261100000000 ] - [ -0.0000837600000000, 0.0000000000000000, 0.0000546500000000 ] - [ 0.0025746800000000, -0.0007339900000000, -0.0004628400000000 ] - [ 0.0025746800000000, 0.0007339900000000, -0.0004628400000000 ] - [ -0.0004256000000000, 0.0000000000000000, -0.0000989900000000 ] - [ -0.0288982300000000, 0.0000000000000000, -0.0028886900000000 ] - [ -0.0103920800000000, 0.0001922500000000, -0.0024121300000000 ] - [ -0.0103920800000000, -0.0001922500000000, -0.0024121300000000 ] - [ -0.0109197600000000, 0.0000000000000000, 0.0037685200000000 ] - [ -0.0111492300000000, -0.0002126100000000, 0.0051506800000000 ] - [ -0.0111492300000000, 0.0002126100000000, 0.0051506800000000 ] - [ -0.0037740800000000, 0.0000000000000000, 0.0087440700000000 ] - [ -0.0034680000000000, -0.0000600000000000, 0.0087517900000000 ] - [ -0.0034680000000000, 0.0000600000000000, 0.0087517900000000 ] - [ -0.0059075000000000, 0.0000000000000000, 0.0048302500000000 ] - [ -0.0059780500000000, -0.0000629400000000, 0.0048690200000000 ] - [ -0.0059780500000000, 0.0000629400000000, 0.0048690200000000 ] - [ -0.0065968800000000, 0.0000000000000000, 0.0049019200000000 ] - [ -0.0064767400000000, 0.0000018900000000, 0.0054772400000000 ] - [ -0.0064767400000000, -0.0000018900000000, 0.0054772400000000 ] - [ -0.0073231100000000, 0.0000000000000000, 0.0059139000000000 ] - [ -0.0074611000000000, -0.0001682300000000, 0.0047270600000000 ] - [ -0.0074611000000000, 0.0001682300000000, 0.0047270600000000 ] - [ -0.0067109100000000, 0.0000000000000000, 0.0035188300000000 ] - [ -0.0067570400000000, -0.0000282000000000, 0.0035779700000000 ] - [ -0.0067570400000000, 0.0000282000000000, 0.0035779700000000 ] - [ 0.0093353200000000, 0.0000000000000000, 0.0020760100000000 ] - [ -0.0061409200000000, -0.0007498600000000, 0.0041739900000000 ] - [ -0.0061409200000000, 0.0007498600000000, 0.0041739900000000 ] - [ 0.0087093300000000, 0.0000000000000000, 0.0079396300000000 ] - [ -0.0080856700000000, -0.0009942200000000, 0.0030159900000000 ] - [ -0.0080856700000000, 0.0009942200000000, 0.0030159900000000 ] - [ -0.0220815700000000, 0.0000000000000000, 0.0038948100000000 ] - [ -0.0078342600000000, 0.0003320800000000, 0.0045352400000000 ] - [ -0.0078342600000000, -0.0003320800000000, 0.0045352400000000 ]- atom: 40 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005112200000000, -0.0000255800000000, -0.0000506300000000 ] - [ -0.0005112200000000, 0.0000255800000000, -0.0000506300000000 ] - [ -0.0005216800000000, 0.0000000000000000, -0.0000639300000000 ] - [ -0.0000207800000000, -0.0004424900000000, 0.0003682800000000 ] - [ -0.0000207800000000, 0.0004424900000000, 0.0003682800000000 ] - [ -0.0000812000000000, 0.0000000000000000, 0.0000490900000000 ] - [ -0.0004556100000000, 0.0002930700000000, -0.0000015900000000 ] - [ -0.0004556100000000, -0.0002930700000000, -0.0000015900000000 ] - [ -0.0002132700000000, 0.0000000000000000, 0.0002350600000000 ] - [ 0.0044916300000000, 0.0000909900000000, -0.0037146400000000 ] - [ 0.0044916300000000, -0.0000909900000000, -0.0037146400000000 ] - [ 0.0044937000000000, 0.0000000000000000, -0.0037152300000000 ] - [ 0.0097049200000000, 0.0002979900000000, -0.0035368300000000 ] - [ 0.0097049200000000, -0.0002979900000000, -0.0035368300000000 ] - [ 0.0096658400000000, 0.0000000000000000, -0.0034645900000000 ] - [ 0.0013586000000000, 0.0000743100000000, -0.0071696400000000 ] - [ 0.0013586000000000, -0.0000743100000000, -0.0071696400000000 ] - [ 0.0013798700000000, 0.0000000000000000, -0.0071672200000000 ] - [ -0.0006282600000000, 0.0000000000000000, -0.0009165900000000 ] - [ -0.0006378000000000, -0.0000357400000000, -0.0013354200000000 ] - [ -0.0006378000000000, 0.0000357400000000, -0.0013354200000000 ] - [ 0.0018832400000000, 0.0000000000000000, 0.0002229300000000 ] - [ 0.0019318700000000, -0.0000112400000000, 0.0002419200000000 ] - [ 0.0019318700000000, 0.0000112400000000, 0.0002419200000000 ] - [ -0.0003530000000000, 0.0000000000000000, -0.0019977100000000 ] - [ -0.0003129700000000, -0.0000120000000000, -0.0019365300000000 ] - [ -0.0003129700000000, 0.0000120000000000, -0.0019365300000000 ] - [ 0.0020492500000000, 0.0000000000000000, 0.0000092200000000 ] - [ 0.0019790500000000, -0.0000131100000000, 0.0000371700000000 ] - [ 0.0019790500000000, 0.0000131100000000, 0.0000371700000000 ] - [ 0.0000086700000000, 0.0000000000000000, -0.0017729300000000 ] - [ -0.0000402300000000, -0.0000374800000000, -0.0013708100000000 ] - [ -0.0000402300000000, 0.0000374800000000, -0.0013708100000000 ] - [ 0.0016950500000000, 0.0000000000000000, -0.0000978000000000 ] - [ 0.0021969800000000, -0.0000639500000000, -0.0000968500000000 ] - [ 0.0021969800000000, 0.0000639500000000, -0.0000968500000000 ] - [ 0.0002976500000000, 0.0000000000000000, -0.0014339100000000 ] - [ 0.0003216400000000, -0.0000049600000000, -0.0013685900000000 ] - [ 0.0003216400000000, 0.0000049600000000, -0.0013685900000000 ] - [ 0.0604613800000000, 0.0000000000000000, 0.0055997000000000 ] - [ 0.0007442500000000, 0.0002944300000000, -0.0017638900000000 ] - [ 0.0007442500000000, -0.0002944300000000, -0.0017638900000000 ] - [ -0.0098868000000000, 0.0000000000000000, 0.0128186900000000 ] - [ 0.0022932200000000, -0.0003987500000000, 0.0008690900000000 ] - [ 0.0022932200000000, 0.0003987500000000, 0.0008690900000000 ] - [ -0.0031001700000000, 0.0000000000000000, -0.0025840400000000 ] - [ -0.0006306700000000, 0.0000053500000000, -0.0015530600000000 ] - [ -0.0006306700000000, -0.0000053500000000, -0.0015530600000000 ] - [ 0.0028236000000000, 0.0000000000000000, 0.0002772000000000 ] - [ 0.0026725900000000, 0.0000201600000000, 0.0003306800000000 ] - [ 0.0026725900000000, -0.0000201600000000, 0.0003306800000000 ] - [ -0.0007422300000000, 0.0000000000000000, 0.0023875800000000 ] - [ 0.0002123000000000, -0.0001656000000000, -0.0015148100000000 ] - [ 0.0002123000000000, 0.0001656000000000, -0.0015148100000000 ] - [ -0.0159382700000000, 0.0000000000000000, -0.0155411500000000 ] - [ 0.0025836700000000, -0.0004511700000000, -0.0006355400000000 ] - [ 0.0025836700000000, 0.0004511700000000, -0.0006355400000000 ] - [ -0.0048947000000000, 0.0000000000000000, -0.0005513800000000 ] - [ -0.0020240500000000, 0.0008025500000000, -0.0011686200000000 ] - [ -0.0020240500000000, -0.0008025500000000, -0.0011686200000000 ] - [ 0.0009480700000000, 0.0000000000000000, -0.0002950600000000 ] - [ 0.0013202100000000, -0.0000225100000000, -0.0001683800000000 ] - [ 0.0013202100000000, 0.0000225100000000, -0.0001683800000000 ] - [ -0.0019866100000000, 0.0000000000000000, -0.0002236000000000 ] - [ 0.0003015700000000, 0.0000039000000000, -0.0000630900000000 ] - [ 0.0003015700000000, -0.0000039000000000, -0.0000630900000000 ] - [ -0.0093542400000000, 0.0000000000000000, 0.0113629100000000 ] - [ 0.0025257100000000, 0.0001923700000000, 0.0002412600000000 ] - [ 0.0025257100000000, -0.0001923700000000, 0.0002412600000000 ] - [ -0.0015022700000000, 0.0000000000000000, -0.0050289200000000 ] - [ -0.0001299300000000, -0.0001476500000000, -0.0020700000000000 ] - [ -0.0001299300000000, 0.0001476500000000, -0.0020700000000000 ] - [ -0.0099724300000000, 0.0000000000000000, -0.0146082100000000 ] - [ 0.0026245900000000, 0.0004817000000000, -0.0004507200000000 ] - [ 0.0026245900000000, -0.0004817000000000, -0.0004507200000000 ] - [ 0.0024766300000000, 0.0000000000000000, 0.0003195600000000 ] - [ 0.0025020000000000, -0.0000175400000000, 0.0003013200000000 ] - [ 0.0025020000000000, 0.0000175400000000, 0.0003013200000000 ] - [ 0.0056237600000000, 0.0002741700000000, -0.0033900900000000 ] - [ 0.0056237600000000, -0.0002741700000000, -0.0033900900000000 ] - [ 0.0055656200000000, 0.0000000000000000, -0.0034801400000000 ] - [ 0.0085695200000000, 0.0020054100000000, -0.0026899900000000 ] - [ 0.0085695200000000, -0.0020054100000000, -0.0026899900000000 ] - [ 0.0048711300000000, 0.0000000000000000, -0.0034905600000000 ] - [ 0.0049470200000000, 0.0000327800000000, -0.0026020400000000 ] - [ 0.0049470200000000, -0.0000327800000000, -0.0026020400000000 ] - [ 0.0049461400000000, 0.0000000000000000, -0.0025985600000000 ] - [ 0.0110666600000000, 0.0024279500000000, -0.0013543700000000 ] - [ 0.0110666600000000, -0.0024279500000000, -0.0013543700000000 ] - [ 0.0071212700000000, 0.0000000000000000, -0.0005252000000000 ] - [ 0.0046550300000000, -0.0000358400000000, -0.0044390500000000 ] - [ 0.0046550300000000, 0.0000358400000000, -0.0044390500000000 ] - [ 0.0046914300000000, 0.0000000000000000, -0.0044169900000000 ] - [ 0.0034063600000000, -0.0003977500000000, -0.0042313600000000 ] - [ 0.0034063600000000, 0.0003977500000000, -0.0042313600000000 ] - [ 0.0050489900000000, 0.0000000000000000, -0.0041281800000000 ] - [ 0.0051035300000000, -0.0001016300000000, 0.0045904900000000 ] - [ 0.0051035300000000, 0.0001016300000000, 0.0045904900000000 ] - [ 0.0067383700000000, 0.0000000000000000, 0.0045578000000000 ] - [ 0.0003614700000000, -0.0000477200000000, 0.0001221600000000 ] - [ 0.0003614700000000, 0.0000477200000000, 0.0001221600000000 ] - [ 0.0003961800000000, 0.0000000000000000, 0.0001072900000000 ] - [ -0.0002330900000000, -0.0000441100000000, 0.0001077500000000 ] - [ -0.0002330900000000, 0.0000441100000000, 0.0001077500000000 ] - [ -0.0002664900000000, 0.0000000000000000, 0.0001177300000000 ] - [ -0.0000387100000000, -0.0007284400000000, -0.0007293100000000 ] - [ -0.0000387100000000, 0.0007284400000000, -0.0007293100000000 ] - [ -0.0002826300000000, 0.0000000000000000, -0.0001336100000000 ] - [ -0.0001072900000000, -0.0000314700000000, 0.0000968300000000 ] - [ -0.0001072900000000, 0.0000314700000000, 0.0000968300000000 ] - [ -0.0000702100000000, 0.0000000000000000, 0.0000989200000000 ] - [ -0.0011279900000000, 0.0005763900000000, 0.0008111000000000 ] - [ -0.0011279900000000, -0.0005763900000000, 0.0008111000000000 ] - [ -0.0006857100000000, 0.0000000000000000, 0.0002426000000000 ] - [ 0.0030931200000000, -0.0060609500000000, -0.0003757800000000 ] - [ 0.0030931200000000, 0.0060609500000000, -0.0003757800000000 ] - [ 0.0002727000000000, 0.0000000000000000, 0.0000021700000000 ] - [ -0.0040159100000000, 0.0004827400000000, 0.0001292800000000 ] - [ -0.0040159100000000, -0.0004827400000000, 0.0001292800000000 ] - [ -0.0007971400000000, 0.0000000000000000, -0.0002263500000000 ] - [ 0.0100003700000000, 0.0000000000000000, -0.0038084000000000 ] - [ -0.0084756100000000, -0.0002115500000000, -0.0042339200000000 ] - [ -0.0084756100000000, 0.0002115500000000, -0.0042339200000000 ] - [ -0.0114553400000000, 0.0000000000000000, 0.0066579400000000 ] - [ -0.0112140500000000, 0.0002195100000000, 0.0052289000000000 ] - [ -0.0112140500000000, -0.0002195100000000, 0.0052289000000000 ] - [ -0.0031580300000000, 0.0000000000000000, 0.0082050600000000 ] - [ -0.0034576700000000, 0.0000592000000000, 0.0082238400000000 ] - [ -0.0034576700000000, -0.0000592000000000, 0.0082238400000000 ] - [ -0.0060364100000000, 0.0000000000000000, 0.0050068200000000 ] - [ -0.0059568900000000, 0.0000622100000000, 0.0049664200000000 ] - [ -0.0059568900000000, -0.0000622100000000, 0.0049664200000000 ] - [ -0.0061976900000000, 0.0000000000000000, 0.0066675300000000 ] - [ -0.0063122700000000, -0.0000050100000000, 0.0060602500000000 ] - [ -0.0063122700000000, 0.0000050100000000, 0.0060602500000000 ] - [ -0.0077192300000000, 0.0000000000000000, 0.0035932600000000 ] - [ -0.0075822600000000, 0.0001739500000000, 0.0048201800000000 ] - [ -0.0075822600000000, -0.0001739500000000, 0.0048201800000000 ] - [ -0.0068011100000000, 0.0000000000000000, 0.0037612900000000 ] - [ -0.0067558300000000, 0.0000309800000000, 0.0037001700000000 ] - [ -0.0067558300000000, -0.0000309800000000, 0.0037001700000000 ] - [ -0.0233106900000000, 0.0000000000000000, 0.0070022500000000 ] - [ -0.0077706400000000, 0.0007869000000000, 0.0047924400000000 ] - [ -0.0077706400000000, -0.0007869000000000, 0.0047924400000000 ] - [ -0.0263225400000000, 0.0000000000000000, -0.0030802800000000 ] - [ -0.0094352500000000, 0.0010508700000000, 0.0019747500000000 ] - [ -0.0094352500000000, -0.0010508700000000, 0.0019747500000000 ] - [ 0.0080746300000000, 0.0000000000000000, 0.0064726500000000 ] - [ -0.0061602600000000, -0.0003515300000000, 0.0057888700000000 ] - [ -0.0061602600000000, 0.0003515300000000, 0.0057888700000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005221900000000, 0.0000568700000000, -0.0000259500000000 ] - [ -0.0005475100000000, 0.0000594800000000, -0.0001038700000000 ] - [ -0.0005351900000000, -0.0001157400000000, -0.0000655700000000 ] - [ 0.0003617500000000, 0.0003315800000000, 0.0005344800000000 ] - [ -0.0006259500000000, 0.0003442700000000, -0.0004206200000000 ] - [ -0.0001336700000000, -0.0005334600000000, 0.0000561800000000 ] - [ -0.0006236100000000, 0.0003146500000000, 0.0008989200000000 ] - [ 0.0003126100000000, 0.0003260500000000, -0.0002812200000000 ] - [ -0.0001544600000000, -0.0005097500000000, 0.0003077200000000 ] - [ 0.0044805200000000, -0.0001010900000000, -0.0036939000000000 ] - [ 0.0044937800000000, -0.0001071600000000, -0.0037065700000000 ] - [ 0.0044875500000000, 0.0003334300000000, -0.0037001100000000 ] - [ 0.0096439500000000, -0.0005262400000000, -0.0036651400000000 ] - [ 0.0096291300000000, -0.0005540800000000, -0.0032265900000000 ] - [ 0.0096361400000000, 0.0015569900000000, -0.0034421700000000 ] - [ 0.0013671200000000, -0.0003487500000000, -0.0072919900000000 ] - [ 0.0013916900000000, -0.0003628200000000, -0.0071374500000000 ] - [ 0.0013795000000000, 0.0007155200000000, -0.0072137000000000 ] - [ -0.0006444800000000, -0.0000281900000000, -0.0012950800000000 ] - [ -0.0006679400000000, 0.0001483500000000, -0.0016752100000000 ] - [ -0.0006257300000000, 0.0001509700000000, -0.0009345900000000 ] - [ 0.0019702700000000, -0.0000584600000000, 0.0002560300000000 ] - [ 0.0019970500000000, 0.0000309200000000, 0.0002634300000000 ] - [ 0.0019414700000000, 0.0000321400000000, 0.0002493600000000 ] - [ -0.0003192400000000, -0.0001048800000000, -0.0019814000000000 ] - [ -0.0002938000000000, 0.0000525800000000, -0.0016987400000000 ] - [ -0.0003434000000000, 0.0000545800000000, -0.0022533300000000 ] - [ 0.0019476200000000, -0.0000840100000000, 0.0000545800000000 ] - [ 0.0019322700000000, 0.0000356800000000, 0.0000645600000000 ] - [ 0.0019628100000000, 0.0000372300000000, 0.0000453600000000 ] - [ -0.0000460500000000, 0.0000019600000000, -0.0013407700000000 ] - [ -0.0001199400000000, 0.0001519400000000, -0.0008526700000000 ] - [ 0.0000196800000000, 0.0001547600000000, -0.0017954900000000 ] - [ 0.0022760000000000, -0.0003029500000000, -0.0000891700000000 ] - [ 0.0024212100000000, 0.0001383300000000, -0.0003617700000000 ] - [ 0.0021381800000000, 0.0001416000000000, 0.0001738300000000 ] - [ 0.0003437300000000, -0.0001180700000000, -0.0012324600000000 ] - [ 0.0003346300000000, 0.0000596700000000, -0.0014540100000000 ] - [ 0.0003527100000000, 0.0000615800000000, -0.0010173400000000 ] - [ -0.0002370000000000, -0.0653764900000000, -0.0019017400000000 ] - [ -0.0002068700000000, 0.0028484900000000, -0.0023213200000000 ] - [ -0.0007968300000000, 0.0028436000000000, -0.0015709400000000 ] - [ 0.0024407200000000, -0.0042404400000000, 0.0005619900000000 ] - [ 0.0034034500000000, 0.0012130400000000, 0.0000044800000000 ] - [ 0.0015666600000000, 0.0012134600000000, 0.0010683800000000 ] - [ -0.0004761300000000, -0.0004772000000000, -0.0011479600000000 ] - [ -0.0005091100000000, 0.0002979200000000, -0.0020750600000000 ] - [ -0.0004466900000000, 0.0003017500000000, -0.0002526400000000 ] - [ 0.0026097800000000, -0.0003125100000000, 0.0004450500000000 ] - [ 0.0024694800000000, 0.0001331700000000, 0.0001933400000000 ] - [ 0.0027402300000000, 0.0001362800000000, 0.0006870400000000 ] - [ 0.0001361200000000, 0.0006595800000000, -0.0014415200000000 ] - [ 0.0000869800000000, 0.0016794700000000, -0.0042961400000000 ] - [ 0.0001765700000000, 0.0016724800000000, 0.0012407000000000 ] - [ 0.0028649100000000, -0.0049991900000000, -0.0003796300000000 ] - [ 0.0040253400000000, 0.0012518700000000, 0.0001006900000000 ] - [ 0.0018501700000000, 0.0012535900000000, -0.0007947900000000 ] - [ -0.0002881100000000, -0.0024566100000000, -0.0014087800000000 ] - [ -0.0011230200000000, 0.0020717100000000, -0.0011291600000000 ] - [ 0.0005475700000000, 0.0020506400000000, -0.0016954500000000 ] - [ 0.0014105700000000, -0.0001673000000000, -0.0001863000000000 ] - [ 0.0016407400000000, 0.0000672600000000, 0.0000739300000000 ] - [ 0.0011920600000000, 0.0000700800000000, -0.0004353000000000 ] - [ 0.0004152800000000, -0.0002777700000000, -0.0004662800000000 ] - [ 0.0004423300000000, 0.0002040200000000, 0.0005842300000000 ] - [ 0.0003944600000000, 0.0002070000000000, -0.0014760700000000 ] - [ 0.0023981700000000, -0.0039895400000000, -0.0001973400000000 ] - [ 0.0013129600000000, 0.0011302700000000, 0.0003455900000000 ] - [ 0.0033825900000000, 0.0011316700000000, -0.0006699100000000 ] - [ -0.0001273300000000, 0.0009221800000000, -0.0021404300000000 ] - [ -0.0000672300000000, 0.0015056200000000, 0.0010248600000000 ] - [ -0.0001825200000000, 0.0015017400000000, -0.0051139600000000 ] - [ 0.0024825600000000, -0.0048540700000000, 0.0002253200000000 ] - [ 0.0014075000000000, 0.0012920800000000, -0.0006078100000000 ] - [ 0.0034485000000000, 0.0012902900000000, 0.0009708600000000 ] - [ 0.0024182500000000, -0.0002081600000000, 0.0002576800000000 ] - [ 0.0022175200000000, 0.0001003900000000, 0.0005291700000000 ] - [ 0.0026083700000000, 0.0001034900000000, -0.0000028000000000 ] - [ 0.0054974900000000, -0.0003568100000000, -0.0030551200000000 ] - [ 0.0055566100000000, -0.0003765400000000, -0.0038789600000000 ] - [ 0.0055272100000000, 0.0012375200000000, -0.0034718900000000 ] - [ 0.0036929900000000, 0.0106490800000000, 0.0110345000000000 ] - [ 0.0056227500000000, 0.0107232000000000, -0.0180552900000000 ] - [ 0.0046503700000000, 0.0046538900000000, -0.0034131500000000 ] - [ 0.0049461500000000, -0.0001169300000000, -0.0025771400000000 ] - [ 0.0049480400000000, -0.0001225700000000, -0.0025831300000000 ] - [ 0.0049469500000000, 0.0002399800000000, -0.0025800400000000 ] - [ 0.0056786300000000, 0.0127344700000000, -0.0161145500000000 ] - [ 0.0081855200000000, 0.0128101700000000, 0.0149933500000000 ] - [ 0.0069230300000000, 0.0056874900000000, -0.0006660500000000 ] - [ 0.0047029800000000, -0.0002916900000000, -0.0041145800000000 ] - [ 0.0047361300000000, -0.0003012200000000, -0.0045550700000000 ] - [ 0.0047198300000000, 0.0005938200000000, -0.0043361900000000 ] - [ 0.0053656500000000, -0.0012465200000000, -0.0028876100000000 ] - [ 0.0050359300000000, -0.0012725900000000, -0.0051256900000000 ] - [ 0.0052023400000000, 0.0024067200000000, -0.0040018800000000 ] - [ 0.0070005300000000, -0.0014584600000000, 0.0035388700000000 ] - [ 0.0067516000000000, -0.0014924000000000, 0.0052070200000000 ] - [ 0.0068776700000000, 0.0029151800000000, 0.0043699600000000 ] - [ 0.0003934700000000, 0.0001148300000000, 0.0001893400000000 ] - [ 0.0004682300000000, 0.0001208800000000, 0.0000276100000000 ] - [ 0.0004317100000000, -0.0002388400000000, 0.0001071700000000 ] - [ -0.0002767000000000, 0.0001128800000000, 0.0000041300000000 ] - [ -0.0003281100000000, 0.0001186500000000, 0.0001743600000000 ] - [ -0.0003027500000000, -0.0002302600000000, 0.0000903100000000 ] - [ 0.0004112100000000, 0.0006029400000000, -0.0011226100000000 ] - [ -0.0012020600000000, 0.0006230700000000, 0.0007896300000000 ] - [ -0.0003976100000000, -0.0010348800000000, -0.0001649500000000 ] - [ -0.0000647600000000, 0.0001068400000000, -0.0000401900000000 ] - [ -0.0000074500000000, 0.0001110100000000, 0.0001380700000000 ] - [ -0.0000353900000000, -0.0002153200000000, 0.0000498700000000 ] - [ -0.0014479400000000, 0.0005968200000000, -0.0010739400000000 ] - [ 0.0002856000000000, 0.0006174400000000, 0.0011597200000000 ] - [ -0.0005793600000000, -0.0010678800000000, 0.0000432700000000 ] - [ 0.0060736900000000, -0.0016697100000000, -0.0003498300000000 ] - [ -0.0058393000000000, -0.0015739400000000, 0.0004021600000000 ] - [ 0.0000901700000000, -0.0021562800000000, 0.0000291500000000 ] - [ -0.0012717500000000, 0.0047720800000000, -0.0004826000000000 ] - [ -0.0002640600000000, 0.0051118400000000, 0.0001448600000000 ] - [ -0.0006070100000000, -0.0022551700000000, -0.0001616200000000 ] - [ -0.0094336700000000, 0.0040005800000000, -0.0033194300000000 ] - [ -0.0091444500000000, -0.0019035900000000, -0.0053660200000000 ] - [ -0.0097250400000000, -0.0019205300000000, -0.0012843400000000 ] - [ -0.0111879800000000, 0.0010093000000000, 0.0052233200000000 ] - [ -0.0108898700000000, -0.0007620100000000, 0.0027729100000000 ] - [ -0.0114691300000000, -0.0007836600000000, 0.0075723700000000 ] - [ -0.0034605600000000, 0.0006718000000000, 0.0085025200000000 ] - [ -0.0035922000000000, -0.0003304900000000, 0.0076029500000000 ] - [ -0.0033350000000000, -0.0003429200000000, 0.0093689900000000 ] - [ -0.0059717000000000, 0.0001206100000000, 0.0049185300000000 ] - [ -0.0059725200000000, -0.0001693000000000, 0.0048686200000000 ] - [ -0.0059633800000000, -0.0001729900000000, 0.0049651000000000 ] - [ -0.0063958300000000, 0.0006570500000000, 0.0057608700000000 ] - [ -0.0063902100000000, -0.0003264000000000, 0.0064256500000000 ] - [ -0.0063992000000000, -0.0003330900000000, 0.0051133800000000 ] - [ -0.0075223200000000, 0.0009816400000000, 0.0047474400000000 ] - [ -0.0075235500000000, -0.0006423300000000, 0.0065983100000000 ] - [ -0.0075208100000000, -0.0006585200000000, 0.0029753800000000 ] - [ -0.0067553600000000, 0.0002052100000000, 0.0036407500000000 ] - [ -0.0067585500000000, -0.0000996200000000, 0.0036119200000000 ] - [ -0.0067543900000000, -0.0001062600000000, 0.0036657300000000 ] - [ -0.0069679600000000, 0.0177973900000000, 0.0045481500000000 ] - [ -0.0072433400000000, -0.0091619800000000, 0.0066747200000000 ] - [ -0.0066708400000000, -0.0091254400000000, 0.0023216500000000 ] - [ -0.0087622100000000, 0.0198796300000000, 0.0023967300000000 ] - [ -0.0092563400000000, -0.0109880800000000, 0.0007472400000000 ] - [ -0.0082732300000000, -0.0109616600000000, 0.0042280700000000 ] - [ -0.0070102100000000, 0.0033644200000000, 0.0051561100000000 ] - [ -0.0065845200000000, -0.0016512300000000, 0.0068145900000000 ] - [ -0.0074110200000000, -0.0016596800000000, 0.0035169300000000 ]- atom: 40 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0006465800000000, 0.0002812300000000, -0.0012920600000000 ] - [ -0.0006465800000000, -0.0002812300000000, -0.0012920600000000 ] - [ -0.0005954100000000, 0.0000000000000000, -0.0009973700000000 ] - [ -0.0014656300000000, 0.0017383200000000, -0.0010605700000000 ] - [ -0.0014656300000000, -0.0017383200000000, -0.0010605700000000 ] - [ -0.0004865300000000, 0.0000000000000000, -0.0000013000000000 ] - [ 0.0010186800000000, 0.0015287800000000, -0.0009119200000000 ] - [ 0.0010186800000000, -0.0015287800000000, -0.0009119200000000 ] - [ 0.0001614700000000, 0.0000000000000000, 0.0001877900000000 ] - [ 0.0046517400000000, -0.0000703800000000, -0.0016667100000000 ] - [ 0.0046517400000000, 0.0000703800000000, -0.0016667100000000 ] - [ 0.0046283500000000, 0.0000000000000000, -0.0020289800000000 ] - [ 0.0092039900000000, -0.0035100700000000, -0.0011049900000000 ] - [ 0.0092039900000000, 0.0035100700000000, -0.0011049900000000 ] - [ 0.0092535800000000, 0.0000000000000000, -0.0019849500000000 ] - [ 0.0015573000000000, -0.0019444900000000, -0.0060301300000000 ] - [ 0.0015573000000000, 0.0019444900000000, -0.0060301300000000 ] - [ 0.0014942500000000, 0.0000000000000000, -0.0064221900000000 ] - [ -0.0004597200000000, 0.0000000000000000, 0.0076584800000000 ] - [ -0.0006623000000000, -0.0003419200000000, 0.0029938100000000 ] - [ -0.0006623000000000, 0.0003419200000000, 0.0029938100000000 ] - [ 0.0022174700000000, 0.0000000000000000, 0.0022086700000000 ] - [ 0.0021154300000000, -0.0000146400000000, 0.0015420400000000 ] - [ 0.0021154300000000, 0.0000146400000000, 0.0015420400000000 ] - [ -0.0000756200000000, 0.0000000000000000, 0.0046412100000000 ] - [ -0.0002970300000000, 0.0002055400000000, 0.0021146300000000 ] - [ -0.0002970300000000, -0.0002055400000000, 0.0021146300000000 ] - [ 0.0020278000000000, 0.0000000000000000, 0.0024577100000000 ] - [ 0.0020097800000000, -0.0000137600000000, 0.0016442800000000 ] - [ 0.0020097800000000, 0.0000137600000000, 0.0016442800000000 ] - [ -0.0004648100000000, 0.0000000000000000, 0.0090942000000000 ] - [ 0.0000004900000000, 0.0003663300000000, 0.0036222000000000 ] - [ 0.0000004900000000, -0.0003663300000000, 0.0036222000000000 ] - [ 0.0007717200000000, 0.0000000000000000, 0.0028683800000000 ] - [ 0.0018773000000000, -0.0006071100000000, 0.0008958100000000 ] - [ 0.0018773000000000, 0.0006071100000000, 0.0008958100000000 ] - [ 0.0003308800000000, 0.0000000000000000, 0.0045896600000000 ] - [ 0.0003153100000000, -0.0002025700000000, 0.0023855300000000 ] - [ 0.0003153100000000, 0.0002025700000000, 0.0023855300000000 ] - [ -0.0085766400000000, 0.0000000000000000, -0.1958410700000000 ] - [ -0.0006882000000000, 0.0003675000000000, -0.0149850600000000 ] - [ -0.0006882000000000, -0.0003675000000000, -0.0149850600000000 ] - [ -0.0208525800000000, 0.0000000000000000, 0.0069259200000000 ] - [ 0.0008807000000000, -0.0015695800000000, -0.0017166300000000 ] - [ 0.0008807000000000, 0.0015695800000000, -0.0017166300000000 ] - [ -0.0004777700000000, 0.0000000000000000, 0.0037173500000000 ] - [ -0.0006563500000000, -0.0008103600000000, -0.0015724900000000 ] - [ -0.0006563500000000, 0.0008103600000000, -0.0015724900000000 ] - [ 0.0043797500000000, 0.0000000000000000, 0.0034454500000000 ] - [ 0.0031106200000000, -0.0005812800000000, 0.0014305100000000 ] - [ 0.0031106200000000, 0.0005812800000000, 0.0014305100000000 ] - [ 0.0027050700000000, 0.0000000000000000, 0.0323726700000000 ] - [ 0.0000706300000000, -0.0027465900000000, 0.0002245100000000 ] - [ 0.0000706300000000, 0.0027465900000000, 0.0002245100000000 ] - [ 0.0333575100000000, 0.0000000000000000, 0.0041007800000000 ] - [ 0.0052578900000000, 0.0014871200000000, -0.0026050000000000 ] - [ 0.0052578900000000, -0.0014871200000000, -0.0026050000000000 ] - [ 0.0009399200000000, 0.0000000000000000, -0.0199770400000000 ] - [ -0.0001097100000000, -0.0001759100000000, -0.0084581100000000 ] - [ -0.0001097100000000, 0.0001759100000000, -0.0084581100000000 ] - [ 0.0038939300000000, 0.0000000000000000, 0.0025361800000000 ] - [ 0.0022237900000000, 0.0003550700000000, 0.0007306600000000 ] - [ 0.0022237900000000, -0.0003550700000000, 0.0007306600000000 ] - [ 0.0021476500000000, 0.0000000000000000, 0.0050313600000000 ] - [ 0.0008305000000000, 0.0005012300000000, -0.0004610800000000 ] - [ 0.0008305000000000, -0.0005012300000000, -0.0004610800000000 ] - [ -0.0197010600000000, 0.0000000000000000, 0.0086820200000000 ] - [ 0.0004040700000000, 0.0015780400000000, -0.0015998900000000 ] - [ 0.0004040700000000, -0.0015780400000000, -0.0015998900000000 ] - [ 0.0005798900000000, 0.0000000000000000, 0.0321816000000000 ] - [ -0.0001008600000000, 0.0023430400000000, 0.0011847800000000 ] - [ -0.0001008600000000, -0.0023430400000000, 0.0011847800000000 ] - [ 0.0277730400000000, 0.0000000000000000, 0.0114415300000000 ] - [ 0.0036905100000000, -0.0015842200000000, -0.0017709200000000 ] - [ 0.0036905100000000, 0.0015842200000000, -0.0017709200000000 ] - [ 0.0001733900000000, 0.0000000000000000, 0.0030833800000000 ] - [ 0.0016726400000000, 0.0004458700000000, 0.0011979600000000 ] - [ 0.0016726400000000, -0.0004458700000000, 0.0011979600000000 ] - [ 0.0055465100000000, 0.0029757600000000, -0.0008898700000000 ] - [ 0.0055465100000000, -0.0029757600000000, -0.0008898700000000 ] - [ 0.0056359900000000, 0.0000000000000000, -0.0021375100000000 ] - [ 0.0042300200000000, 0.0278338200000000, 0.0058784500000000 ] - [ 0.0042300200000000, -0.0278338200000000, 0.0058784500000000 ] - [ 0.0049767800000000, 0.0000000000000000, -0.0058991300000000 ] - [ 0.0047700000000000, -0.0000406800000000, -0.0008710500000000 ] - [ 0.0047700000000000, 0.0000406800000000, -0.0008710500000000 ] - [ 0.0048043600000000, 0.0000000000000000, -0.0011577900000000 ] - [ 0.0073732500000000, -0.0328852400000000, 0.0079436500000000 ] - [ 0.0073732500000000, 0.0328852400000000, 0.0079436500000000 ] - [ 0.0065214200000000, 0.0000000000000000, -0.0026166400000000 ] - [ 0.0046712700000000, 0.0015635700000000, -0.0028776600000000 ] - [ 0.0046712700000000, -0.0015635700000000, -0.0028776600000000 ] - [ 0.0047261100000000, 0.0000000000000000, -0.0036297700000000 ] - [ 0.0049790300000000, 0.0044198400000000, -0.0065284700000000 ] - [ 0.0049790300000000, -0.0044198400000000, -0.0065284700000000 ] - [ 0.0051501900000000, 0.0000000000000000, -0.0057244900000000 ] - [ 0.0073370000000000, -0.0049576800000000, 0.0020702600000000 ] - [ 0.0073370000000000, 0.0049576800000000, 0.0020702600000000 ] - [ 0.0069774800000000, 0.0000000000000000, 0.0028665400000000 ] - [ 0.0007460700000000, 0.0005877700000000, -0.0022977300000000 ] - [ 0.0007460700000000, -0.0005877700000000, -0.0022977300000000 ] - [ 0.0006080200000000, 0.0000000000000000, -0.0017178400000000 ] - [ -0.0000399000000000, -0.0005316500000000, -0.0022230600000000 ] - [ -0.0000399000000000, 0.0005316500000000, -0.0022230600000000 ] - [ -0.0001467100000000, 0.0000000000000000, -0.0016110500000000 ] - [ 0.0019143600000000, -0.0034188500000000, -0.0024427600000000 ] - [ 0.0019143600000000, 0.0034188500000000, -0.0024427600000000 ] - [ 0.0001292000000000, 0.0000000000000000, -0.0001732300000000 ] - [ -0.0003156400000000, -0.0004962800000000, -0.0023652500000000 ] - [ -0.0003156400000000, 0.0004962800000000, -0.0023652500000000 ] - [ -0.0002020200000000, 0.0000000000000000, -0.0017398000000000 ] - [ -0.0028830100000000, -0.0033240100000000, -0.0021513200000000 ] - [ -0.0028830100000000, 0.0033240100000000, -0.0021513200000000 ] - [ -0.0011100300000000, 0.0000000000000000, 0.0000465800000000 ] - [ 0.0010575000000000, -0.0008934900000000, 0.0132583800000000 ] - [ 0.0010575000000000, 0.0008934900000000, 0.0132583800000000 ] - [ -0.0002038700000000, 0.0000000000000000, 0.0043532600000000 ] - [ -0.0012950100000000, -0.0011547700000000, 0.0125397800000000 ] - [ -0.0012950100000000, 0.0011547700000000, 0.0125397800000000 ] - [ -0.0002613200000000, 0.0000000000000000, 0.0035533400000000 ] - [ -0.0115058900000000, 0.0000000000000000, 0.0077132000000000 ] - [ -0.0098752600000000, -0.0036931700000000, 0.0024503400000000 ] - [ -0.0098752600000000, 0.0036931700000000, 0.0024503400000000 ] - [ -0.0088548900000000, 0.0000000000000000, -0.0152858900000000 ] - [ -0.0106457300000000, -0.0027721900000000, -0.0009798800000000 ] - [ -0.0106457300000000, 0.0027721900000000, -0.0009798800000000 ] - [ -0.0049542800000000, 0.0000000000000000, -0.0006318200000000 ] - [ -0.0039024400000000, -0.0017080500000000, 0.0050399400000000 ] - [ -0.0039024400000000, 0.0017080500000000, 0.0050399400000000 ] - [ -0.0069782100000000, 0.0000000000000000, -0.0044060200000000 ] - [ -0.0065940400000000, -0.0000412100000000, -0.0007781100000000 ] - [ -0.0065940400000000, 0.0000412100000000, -0.0007781100000000 ] - [ -0.0066332000000000, 0.0000000000000000, -0.0016303300000000 ] - [ -0.0065255900000000, 0.0014320500000000, 0.0030899300000000 ] - [ -0.0065255900000000, -0.0014320500000000, 0.0030899300000000 ] - [ -0.0075343600000000, 0.0000000000000000, -0.0117867400000000 ] - [ -0.0075101700000000, 0.0022422900000000, 0.0003213100000000 ] - [ -0.0075101700000000, -0.0022422900000000, 0.0003213100000000 ] - [ -0.0063727700000000, 0.0000000000000000, -0.0039458200000000 ] - [ -0.0064660500000000, -0.0000186200000000, -0.0014688900000000 ] - [ -0.0064660500000000, 0.0000186200000000, -0.0014688900000000 ] - [ -0.0124070500000000, 0.0000000000000000, 0.0053477600000000 ] - [ -0.0069889900000000, 0.0144569700000000, 0.0124663200000000 ] - [ -0.0069889900000000, -0.0144569700000000, 0.0124663200000000 ] - [ -0.0085107700000000, 0.0000000000000000, 0.0371199100000000 ] - [ -0.0089386500000000, -0.0169517000000000, 0.0098642600000000 ] - [ -0.0089386500000000, 0.0169517000000000, 0.0098642600000000 ] - [ -0.0093012900000000, 0.0000000000000000, 0.0150379000000000 ] - [ -0.0067584100000000, 0.0030738900000000, 0.0102622400000000 ] - [ -0.0067584100000000, -0.0030738900000000, 0.0102622400000000 ]- atom: 40 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0004255700000000, -0.0002783000000000, 0.0011608500000000 ] - [ -0.0004255700000000, 0.0002783000000000, 0.0011608500000000 ] - [ -0.0004759400000000, 0.0000000000000000, 0.0008691800000000 ] - [ 0.0011906100000000, -0.0017291100000000, 0.0011860600000000 ] - [ 0.0011906100000000, 0.0017291100000000, 0.0011860600000000 ] - [ 0.0002181500000000, 0.0000000000000000, 0.0001241100000000 ] - [ -0.0013195800000000, -0.0015218900000000, 0.0015449300000000 ] - [ -0.0013195800000000, 0.0015218900000000, 0.0015449300000000 ] - [ -0.0004686200000000, 0.0000000000000000, 0.0004399700000000 ] - [ 0.0043224500000000, 0.0000601200000000, -0.0057338200000000 ] - [ 0.0043224500000000, -0.0000601200000000, -0.0057338200000000 ] - [ 0.0043459600000000, 0.0000000000000000, -0.0053709300000000 ] - [ 0.0100663900000000, 0.0034756200000000, -0.0057777800000000 ] - [ 0.0100663900000000, -0.0034756200000000, -0.0057777800000000 ] - [ 0.0100182800000000, 0.0000000000000000, -0.0049069900000000 ] - [ 0.0012009800000000, 0.0019334700000000, -0.0084056700000000 ] - [ 0.0012009800000000, -0.0019334700000000, -0.0084056700000000 ] - [ 0.0012633900000000, 0.0000000000000000, -0.0080135600000000 ] - [ -0.0008377000000000, 0.0000000000000000, -0.0103025500000000 ] - [ -0.0006312000000000, 0.0003468400000000, -0.0055971200000000 ] - [ -0.0006312000000000, -0.0003468400000000, -0.0055971200000000 ] - [ 0.0017328400000000, 0.0000000000000000, -0.0016966000000000 ] - [ 0.0018272900000000, 0.0000163900000000, -0.0010291400000000 ] - [ 0.0018272900000000, -0.0000163900000000, -0.0010291400000000 ] - [ -0.0005610000000000, 0.0000000000000000, -0.0086015900000000 ] - [ -0.0003419400000000, -0.0002037100000000, -0.0060829900000000 ] - [ -0.0003419400000000, 0.0002037100000000, -0.0060829900000000 ] - [ 0.0018613700000000, 0.0000000000000000, -0.0023488700000000 ] - [ 0.0018825600000000, 0.0000158300000000, -0.0015347300000000 ] - [ 0.0018825600000000, -0.0000158300000000, -0.0015347300000000 ] - [ 0.0003562000000000, 0.0000000000000000, -0.0117211200000000 ] - [ -0.0001004000000000, -0.0003619800000000, -0.0062835700000000 ] - [ -0.0001004000000000, 0.0003619800000000, -0.0062835700000000 ] - [ 0.0038175800000000, 0.0000000000000000, -0.0030652200000000 ] - [ 0.0026876300000000, 0.0006117500000000, -0.0010739900000000 ] - [ 0.0026876300000000, -0.0006117500000000, -0.0010739900000000 ] - [ 0.0003595100000000, 0.0000000000000000, -0.0070618800000000 ] - [ 0.0003732500000000, 0.0002047700000000, -0.0048468500000000 ] - [ 0.0003732500000000, -0.0002047700000000, -0.0048468500000000 ] - [ 0.0063092900000000, 0.0000000000000000, 0.1906007100000000 ] - [ -0.0003379200000000, -0.0003827400000000, 0.0110912500000000 ] - [ -0.0003379200000000, 0.0003827400000000, 0.0110912500000000 ] - [ 0.0261237700000000, 0.0000000000000000, -0.0057745400000000 ] - [ 0.0041011800000000, 0.0015625600000000, 0.0028204800000000 ] - [ 0.0041011800000000, -0.0015625600000000, 0.0028204800000000 ] - [ -0.0004621900000000, 0.0000000000000000, -0.0060139200000000 ] - [ -0.0002963900000000, 0.0008130700000000, -0.0007039800000000 ] - [ -0.0002963900000000, -0.0008130700000000, -0.0007039800000000 ] - [ 0.0008107100000000, 0.0000000000000000, -0.0025735700000000 ] - [ 0.0020965700000000, 0.0005854500000000, -0.0005406100000000 ] - [ 0.0020965700000000, -0.0005854500000000, -0.0005406100000000 ] - [ -0.0024820000000000, 0.0000000000000000, -0.0358910700000000 ] - [ 0.0001917100000000, 0.0027570200000000, -0.0032286900000000 ] - [ 0.0001917100000000, -0.0027570200000000, -0.0032286900000000 ] - [ -0.0272076900000000, 0.0000000000000000, -0.0049735200000000 ] - [ 0.0006318800000000, -0.0014967300000000, 0.0018839300000000 ] - [ 0.0006318800000000, 0.0014967300000000, 0.0018839300000000 ] - [ -0.0014596400000000, 0.0000000000000000, 0.0171355300000000 ] - [ -0.0004323900000000, 0.0001341800000000, 0.0056247500000000 ] - [ -0.0004323900000000, -0.0001341800000000, 0.0056247500000000 ] - [ -0.0010318300000000, 0.0000000000000000, -0.0028935100000000 ] - [ 0.0006129800000000, -0.0003524200000000, -0.0010997200000000 ] - [ 0.0006129800000000, 0.0003524200000000, -0.0010997200000000 ] - [ -0.0012993000000000, 0.0000000000000000, -0.0059830700000000 ] - [ 0.0000091300000000, -0.0005017400000000, -0.0004886000000000 ] - [ 0.0000091300000000, 0.0005017400000000, -0.0004886000000000 ] - [ 0.0242336200000000, 0.0000000000000000, -0.0090301900000000 ] - [ 0.0042844500000000, -0.0015867900000000, 0.0012521500000000 ] - [ 0.0042844500000000, 0.0015867900000000, 0.0012521500000000 ] - [ -0.0008098500000000, 0.0000000000000000, -0.0358854000000000 ] - [ -0.0001499200000000, -0.0023380900000000, -0.0053313900000000 ] - [ -0.0001499200000000, 0.0023380900000000, -0.0053313900000000 ] - [ -0.0231297500000000, 0.0000000000000000, -0.0110681700000000 ] - [ 0.0011627100000000, 0.0015729700000000, 0.0021709100000000 ] - [ 0.0011627100000000, -0.0015729700000000, 0.0021709100000000 ] - [ 0.0046262400000000, 0.0000000000000000, -0.0025561100000000 ] - [ 0.0031487100000000, -0.0004429400000000, -0.0006803900000000 ] - [ 0.0031487100000000, 0.0004429400000000, -0.0006803900000000 ] - [ 0.0055067000000000, -0.0030116700000000, -0.0060559300000000 ] - [ 0.0055067000000000, 0.0030116700000000, -0.0060559300000000 ] - [ 0.0054170200000000, 0.0000000000000000, -0.0047951100000000 ] - [ 0.0050678700000000, -0.0281055600000000, -0.0126383200000000 ] - [ 0.0050678700000000, 0.0281055600000000, -0.0126383200000000 ] - [ 0.0043209800000000, 0.0000000000000000, -0.0009050900000000 ] - [ 0.0051244200000000, 0.0000343300000000, -0.0042894100000000 ] - [ 0.0051244200000000, -0.0000343300000000, -0.0042894100000000 ] - [ 0.0050896300000000, 0.0000000000000000, -0.0040023100000000 ] - [ 0.0064723500000000, 0.0325846600000000, -0.0093694000000000 ] - [ 0.0064723500000000, -0.0325846600000000, -0.0093694000000000 ] - [ 0.0073222100000000, 0.0000000000000000, 0.0012639700000000 ] - [ 0.0047688200000000, -0.0015761400000000, -0.0057849900000000 ] - [ 0.0047688200000000, 0.0015761400000000, -0.0057849900000000 ] - [ 0.0047134800000000, 0.0000000000000000, -0.0050308500000000 ] - [ 0.0054372900000000, -0.0044344100000000, -0.0014287300000000 ] - [ 0.0054372900000000, 0.0044344100000000, -0.0014287300000000 ] - [ 0.0052564600000000, 0.0000000000000000, -0.0022595300000000 ] - [ 0.0064260100000000, 0.0049590700000000, 0.0066361100000000 ] - [ 0.0064260100000000, -0.0049590700000000, 0.0066361100000000 ] - [ 0.0067791700000000, 0.0000000000000000, 0.0058558000000000 ] - [ 0.0001219000000000, -0.0005825900000000, 0.0025160200000000 ] - [ 0.0001219000000000, 0.0005825900000000, 0.0025160200000000 ] - [ 0.0002579100000000, 0.0000000000000000, 0.0019387100000000 ] - [ -0.0005694900000000, 0.0005374800000000, 0.0024034600000000 ] - [ -0.0005694900000000, -0.0005374800000000, 0.0024034600000000 ] - [ -0.0004600600000000, 0.0000000000000000, 0.0017885300000000 ] - [ -0.0027261700000000, 0.0034454900000000, 0.0020921000000000 ] - [ -0.0027261700000000, -0.0034454900000000, 0.0020921000000000 ] - [ -0.0009265700000000, 0.0000000000000000, -0.0001784700000000 ] - [ 0.0002478100000000, 0.0005028900000000, 0.0024643000000000 ] - [ 0.0002478100000000, -0.0005028900000000, 0.0024643000000000 ] - [ 0.0001325200000000, 0.0000000000000000, 0.0018359400000000 ] - [ 0.0017420300000000, 0.0033461100000000, 0.0022094400000000 ] - [ 0.0017420300000000, -0.0033461100000000, 0.0022094400000000 ] - [ -0.0000472500000000, 0.0000000000000000, 0.0000164500000000 ] - [ -0.0006957300000000, 0.0007266900000000, -0.0132287600000000 ] - [ -0.0006957300000000, -0.0007266900000000, -0.0132287600000000 ] - [ 0.0003775600000000, 0.0000000000000000, -0.0043006500000000 ] - [ -0.0000820900000000, 0.0009401800000000, -0.0128952300000000 ] - [ -0.0000820900000000, -0.0009401800000000, -0.0128952300000000 ] - [ -0.0009467500000000, 0.0000000000000000, -0.0038816400000000 ] - [ -0.0074353400000000, 0.0000000000000000, -0.0142410200000000 ] - [ -0.0090110800000000, 0.0037119200000000, -0.0090015000000000 ] - [ -0.0090110800000000, -0.0037119200000000, -0.0090015000000000 ] - [ -0.0134912900000000, 0.0000000000000000, 0.0255458400000000 ] - [ -0.0117194100000000, 0.0027469300000000, 0.0113762800000000 ] - [ -0.0117194100000000, -0.0027469300000000, 0.0113762800000000 ] - [ -0.0019747400000000, 0.0000000000000000, 0.0176500400000000 ] - [ -0.0030190000000000, 0.0016993200000000, 0.0119831600000000 ] - [ -0.0030190000000000, -0.0016993200000000, 0.0119831600000000 ] - [ -0.0049618600000000, 0.0000000000000000, 0.0142449500000000 ] - [ -0.0053427600000000, 0.0000319800000000, 0.0106163800000000 ] - [ -0.0053427600000000, -0.0000319800000000, 0.0106163800000000 ] - [ -0.0061617100000000, 0.0000000000000000, 0.0131598900000000 ] - [ -0.0062656200000000, -0.0014434400000000, 0.0084151000000000 ] - [ -0.0062656200000000, 0.0014434400000000, 0.0084151000000000 ] - [ -0.0075117400000000, 0.0000000000000000, 0.0214637400000000 ] - [ -0.0075360600000000, -0.0022658200000000, 0.0092205100000000 ] - [ -0.0075360600000000, 0.0022658200000000, 0.0092205100000000 ] - [ -0.0071417900000000, 0.0000000000000000, 0.0112312700000000 ] - [ -0.0070482800000000, 0.0000157300000000, 0.0087506200000000 ] - [ -0.0070482800000000, -0.0000157300000000, 0.0087506200000000 ] - [ -0.0010331700000000, 0.0000000000000000, -0.0004173700000000 ] - [ -0.0069204800000000, -0.0144944200000000, -0.0035421700000000 ] - [ -0.0069204800000000, 0.0144944200000000, -0.0035421700000000 ] - [ -0.0084345700000000, 0.0000000000000000, -0.0264508600000000 ] - [ -0.0085849700000000, 0.0169167800000000, -0.0048174200000000 ] - [ -0.0085849700000000, -0.0169167800000000, -0.0048174200000000 ] - [ -0.0047852100000000, 0.0000000000000000, -0.0047930300000000 ] - [ -0.0072523900000000, -0.0030646800000000, -0.0000160500000000 ] - [ -0.0072523900000000, 0.0030646800000000, -0.0000160500000000 ]- atom: 43 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0004802700000000, -0.0000055800000000, -0.0000758400000000 ] - [ -0.0004802700000000, 0.0000055800000000, -0.0000758400000000 ] - [ -0.0004912900000000, 0.0000000000000000, -0.0000702700000000 ] - [ 0.0001409900000000, -0.0000141200000000, 0.0000676200000000 ] - [ 0.0001409900000000, 0.0000141200000000, 0.0000676200000000 ] - [ 0.0000172300000000, 0.0000000000000000, 0.0000536400000000 ] - [ -0.0003863000000000, 0.0000326100000000, 0.0003080000000000 ] - [ -0.0003863000000000, -0.0000326100000000, 0.0003080000000000 ] - [ -0.0002807200000000, 0.0000000000000000, 0.0003099100000000 ] - [ 0.0045163400000000, 0.0001179300000000, -0.0035916400000000 ] - [ 0.0045163400000000, -0.0001179300000000, -0.0035916400000000 ] - [ 0.0045134400000000, 0.0000000000000000, -0.0036164000000000 ] - [ 0.0096739300000000, 0.0000916900000000, -0.0035275700000000 ] - [ 0.0096739300000000, -0.0000916900000000, -0.0035275700000000 ] - [ 0.0096694900000000, 0.0000000000000000, -0.0035060400000000 ] - [ 0.0013972200000000, -0.0000894900000000, -0.0071011300000000 ] - [ 0.0013972200000000, 0.0000894900000000, -0.0071011300000000 ] - [ 0.0013943100000000, 0.0000000000000000, -0.0071342500000000 ] - [ -0.0004329500000000, 0.0000000000000000, 0.0006902600000000 ] - [ -0.0006462200000000, -0.0001745900000000, -0.0007888100000000 ] - [ -0.0006462200000000, 0.0001745900000000, -0.0007888100000000 ] - [ 0.0016767000000000, 0.0000000000000000, 0.0002722200000000 ] - [ 0.0017806800000000, -0.0000116800000000, 0.0002532400000000 ] - [ 0.0017806800000000, 0.0000116800000000, 0.0002532400000000 ] - [ -0.0003345000000000, 0.0000000000000000, -0.0019033600000000 ] - [ -0.0003047300000000, 0.0000167700000000, -0.0019419400000000 ] - [ -0.0003047300000000, -0.0000167700000000, -0.0019419400000000 ] - [ 0.0022259800000000, 0.0000000000000000, 0.0000904800000000 ] - [ 0.0021209600000000, -0.0000029900000000, 0.0000516600000000 ] - [ 0.0021209600000000, 0.0000029900000000, 0.0000516600000000 ] - [ 0.0000764600000000, 0.0000000000000000, -0.0013264400000000 ] - [ 0.0000033200000000, -0.0000231600000000, -0.0013321300000000 ] - [ 0.0000033200000000, 0.0000231600000000, -0.0013321300000000 ] - [ -0.0029623500000000, 0.0000000000000000, 0.0001747200000000 ] - [ 0.0013433200000000, 0.0001422800000000, -0.0002551700000000 ] - [ 0.0013433200000000, -0.0001422800000000, -0.0002551700000000 ] - [ 0.0000752600000000, 0.0000000000000000, -0.0029969800000000 ] - [ 0.0002689600000000, 0.0001287900000000, -0.0017998700000000 ] - [ 0.0002689600000000, -0.0001287900000000, -0.0017998700000000 ] - [ 0.0119644300000000, 0.0000000000000000, -0.0253115800000000 ] - [ -0.0003157100000000, -0.0009216600000000, -0.0035446500000000 ] - [ -0.0003157100000000, 0.0009216600000000, -0.0035446500000000 ] - [ -0.1830933700000000, 0.0000000000000000, -0.0020376200000000 ] - [ -0.0027625800000000, -0.0002033800000000, 0.0004335200000000 ] - [ -0.0027625800000000, 0.0002033800000000, 0.0004335200000000 ] - [ 0.0118373100000000, 0.0000000000000000, -0.0246555000000000 ] - [ -0.0005661300000000, 0.0009783600000000, -0.0029380700000000 ] - [ -0.0005661300000000, -0.0009783600000000, -0.0029380700000000 ] - [ 0.0080352800000000, 0.0000000000000000, 0.0004563400000000 ] - [ 0.0034328200000000, -0.0000245200000000, 0.0004353500000000 ] - [ 0.0034328200000000, 0.0000245200000000, 0.0004353500000000 ] - [ 0.0107912400000000, 0.0000000000000000, 0.0251539000000000 ] - [ 0.0001608200000000, -0.0009926100000000, 0.0002710300000000 ] - [ 0.0001608200000000, 0.0009926100000000, 0.0002710300000000 ] - [ -0.0025309500000000, 0.0000000000000000, -0.0000332300000000 ] - [ 0.0019171900000000, 0.0002275300000000, -0.0001244700000000 ] - [ 0.0019171900000000, -0.0002275300000000, -0.0001244700000000 ] - [ 0.0128029100000000, 0.0000000000000000, 0.0191114100000000 ] - [ -0.0001649500000000, 0.0009061800000000, 0.0001291400000000 ] - [ -0.0001649500000000, -0.0009061800000000, 0.0001291400000000 ] - [ 0.0010480000000000, 0.0000000000000000, -0.0001657000000000 ] - [ 0.0012026700000000, -0.0000005900000000, -0.0001751800000000 ] - [ 0.0012026700000000, 0.0000005900000000, -0.0001751800000000 ] - [ 0.0000001000000000, 0.0000000000000000, 0.0017275500000000 ] - [ 0.0003222000000000, 0.0001341900000000, 0.0001583200000000 ] - [ 0.0003222000000000, -0.0001341900000000, 0.0001583200000000 ] - [ 0.0076474100000000, 0.0000000000000000, 0.0002125900000000 ] - [ 0.0031928200000000, -0.0000031200000000, -0.0001516300000000 ] - [ 0.0031928200000000, 0.0000031200000000, -0.0001516300000000 ] - [ -0.0000943700000000, 0.0000000000000000, -0.0038089500000000 ] - [ -0.0001510200000000, -0.0001380000000000, -0.0025708100000000 ] - [ -0.0001510200000000, 0.0001380000000000, -0.0025708100000000 ] - [ 0.0702149800000000, 0.0000000000000000, 0.0004325300000000 ] - [ 0.0088004700000000, 0.0000697700000000, 0.0001547800000000 ] - [ 0.0088004700000000, -0.0000697700000000, 0.0001547800000000 ] - [ 0.0028139500000000, 0.0000000000000000, 0.0002905500000000 ] - [ 0.0026208500000000, 0.0000010900000000, 0.0002714100000000 ] - [ 0.0026208500000000, -0.0000010900000000, 0.0002714100000000 ] - [ 0.0055835800000000, 0.0016490700000000, -0.0023179100000000 ] - [ 0.0055835800000000, -0.0016490700000000, -0.0023179100000000 ] - [ 0.0055921000000000, 0.0000000000000000, -0.0030813300000000 ] - [ 0.0163667300000000, 0.0261012800000000, -0.0035826200000000 ] - [ 0.0163667300000000, -0.0261012800000000, -0.0035826200000000 ] - [ 0.0052954100000000, 0.0000000000000000, -0.0035582000000000 ] - [ 0.0049419300000000, -0.0000540500000000, -0.0026658000000000 ] - [ 0.0049419300000000, 0.0000540500000000, -0.0026658000000000 ] - [ 0.0049446100000000, 0.0000000000000000, -0.0026609700000000 ] - [ 0.0068744900000000, 0.0017196100000000, -0.0015863700000000 ] - [ 0.0068744900000000, -0.0017196100000000, -0.0015863700000000 ] - [ 0.0069349300000000, 0.0000000000000000, -0.0010282500000000 ] - [ 0.0047018500000000, -0.0013271000000000, -0.0054622200000000 ] - [ 0.0047018500000000, 0.0013271000000000, -0.0054622200000000 ] - [ 0.0046824600000000, 0.0000000000000000, -0.0047308500000000 ] - [ 0.0184757000000000, -0.0240952000000000, -0.0041409700000000 ] - [ 0.0184757000000000, 0.0240952000000000, -0.0041409700000000 ] - [ 0.0050740000000000, 0.0000000000000000, -0.0037379700000000 ] - [ 0.0067535000000000, -0.0015156300000000, 0.0053642800000000 ] - [ 0.0067535000000000, 0.0015156300000000, 0.0053642800000000 ] - [ 0.0067844200000000, 0.0000000000000000, 0.0047006600000000 ] - [ 0.0002853600000000, -0.0000079000000000, 0.0000984500000000 ] - [ 0.0002853600000000, 0.0000079000000000, 0.0000984500000000 ] - [ 0.0003135000000000, 0.0000000000000000, 0.0001070200000000 ] - [ 0.0001985700000000, -0.0001005200000000, 0.0000560100000000 ] - [ 0.0001985700000000, 0.0001005200000000, 0.0000560100000000 ] - [ -0.0000148700000000, 0.0000000000000000, 0.0001152500000000 ] - [ 0.0074332900000000, 0.0015450500000000, 0.0016632500000000 ] - [ 0.0074332900000000, -0.0015450500000000, 0.0016632500000000 ] - [ 0.0005942000000000, 0.0000000000000000, -0.0002871900000000 ] - [ -0.0005084500000000, 0.0000111300000000, 0.0000696500000000 ] - [ -0.0005084500000000, -0.0000111300000000, 0.0000696500000000 ] - [ -0.0003065400000000, 0.0000000000000000, 0.0000694700000000 ] - [ -0.0060050200000000, -0.0002431000000000, -0.0000509100000000 ] - [ -0.0060050200000000, 0.0002431000000000, -0.0000509100000000 ] - [ -0.0015094800000000, 0.0000000000000000, 0.0001498900000000 ] - [ 0.0081887900000000, 0.0017349400000000, -0.0014609300000000 ] - [ 0.0081887900000000, -0.0017349400000000, -0.0014609300000000 ] - [ 0.0008930400000000, 0.0000000000000000, 0.0001778000000000 ] - [ -0.0060190100000000, -0.0001738800000000, -0.0000303000000000 ] - [ -0.0060190100000000, 0.0001738800000000, -0.0000303000000000 ] - [ -0.0015463600000000, 0.0000000000000000, -0.0002761700000000 ] - [ -0.0084363700000000, 0.0000000000000000, -0.0163055600000000 ] - [ -0.0093574800000000, -0.0010403100000000, -0.0046685700000000 ] - [ -0.0093574800000000, 0.0010403100000000, -0.0046685700000000 ] - [ -0.0112867700000000, 0.0000000000000000, 0.0058673200000000 ] - [ -0.0112124200000000, 0.0000644200000000, 0.0054863800000000 ] - [ -0.0112124200000000, -0.0000644200000000, 0.0054863800000000 ] - [ -0.0034925100000000, 0.0000000000000000, 0.0076300800000000 ] - [ -0.0035043500000000, -0.0000660400000000, 0.0081066800000000 ] - [ -0.0035043500000000, 0.0000660400000000, 0.0081066800000000 ] - [ -0.0060091900000000, 0.0000000000000000, 0.0042896300000000 ] - [ -0.0059638800000000, 0.0000693200000000, 0.0046622400000000 ] - [ -0.0059638800000000, -0.0000693200000000, 0.0046622400000000 ] - [ -0.0065190100000000, 0.0000000000000000, 0.0177053800000000 ] - [ -0.0065083100000000, -0.0008211800000000, 0.0070903900000000 ] - [ -0.0065083100000000, 0.0008211800000000, 0.0070903900000000 ] - [ -0.0071171400000000, 0.0000000000000000, -0.0084362500000000 ] - [ -0.0072799000000000, 0.0009724200000000, 0.0035543200000000 ] - [ -0.0072799000000000, -0.0009724200000000, 0.0035543200000000 ] - [ -0.0067700100000000, 0.0000000000000000, 0.0040983200000000 ] - [ -0.0067733100000000, -0.0000204500000000, 0.0039089100000000 ] - [ -0.0067733100000000, 0.0000204500000000, 0.0039089100000000 ] - [ 0.0274991900000000, 0.0000000000000000, 0.0065254600000000 ] - [ -0.0069025200000000, 0.0126229100000000, 0.0043008300000000 ] - [ -0.0069025200000000, -0.0126229100000000, 0.0043008300000000 ] - [ -0.0070628300000000, 0.0000000000000000, 0.0149419300000000 ] - [ -0.0083609900000000, 0.0009799900000000, 0.0036524000000000 ] - [ -0.0083609900000000, -0.0009799900000000, 0.0036524000000000 ] - [ -0.0367460300000000, 0.0000000000000000, 0.0051663000000000 ] - [ -0.0077131900000000, -0.0119948900000000, 0.0054118800000000 ] - [ -0.0077131900000000, 0.0119948900000000, 0.0054118800000000 ]- atom: 43 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005903900000000, 0.0000062600000000, -0.0000549700000000 ] - [ -0.0005903900000000, -0.0000062600000000, -0.0000549700000000 ] - [ -0.0005794100000000, 0.0000000000000000, -0.0000588000000000 ] - [ -0.0004051400000000, 0.0000143200000000, 0.0000559800000000 ] - [ -0.0004051400000000, -0.0000143200000000, 0.0000559800000000 ] - [ -0.0002820400000000, 0.0000000000000000, 0.0000686900000000 ] - [ 0.0000730800000000, -0.0000316100000000, 0.0003169100000000 ] - [ 0.0000730800000000, 0.0000316100000000, 0.0003169100000000 ] - [ -0.0000320400000000, 0.0000000000000000, 0.0003141500000000 ] - [ 0.0044577900000000, -0.0001234000000000, -0.0038105800000000 ] - [ 0.0044577900000000, 0.0001234000000000, -0.0038105800000000 ] - [ 0.0044611500000000, 0.0000000000000000, -0.0037843700000000 ] - [ 0.0095993700000000, -0.0000936800000000, -0.0033644400000000 ] - [ 0.0095993700000000, 0.0000936800000000, -0.0033644400000000 ] - [ 0.0096037800000000, 0.0000000000000000, -0.0033858800000000 ] - [ 0.0013604900000000, 0.0000866600000000, -0.0073308500000000 ] - [ 0.0013604900000000, -0.0000866600000000, -0.0073308500000000 ] - [ 0.0013632600000000, 0.0000000000000000, -0.0072979600000000 ] - [ -0.0008557200000000, 0.0000000000000000, -0.0033176300000000 ] - [ -0.0006455000000000, 0.0001769400000000, -0.0018140000000000 ] - [ -0.0006455000000000, -0.0001769400000000, -0.0018140000000000 ] - [ 0.0022649900000000, 0.0000000000000000, 0.0002363000000000 ] - [ 0.0021579900000000, 0.0000128100000000, 0.0002586800000000 ] - [ 0.0021579900000000, -0.0000128100000000, 0.0002586800000000 ] - [ -0.0003024500000000, 0.0000000000000000, -0.0020635300000000 ] - [ -0.0003337800000000, -0.0000159700000000, -0.0020228300000000 ] - [ -0.0003337800000000, 0.0000159700000000, -0.0020228300000000 ] - [ 0.0016681500000000, 0.0000000000000000, 0.0000144900000000 ] - [ 0.0017736200000000, 0.0000043100000000, 0.0000565200000000 ] - [ 0.0017736200000000, -0.0000043100000000, 0.0000565200000000 ] - [ -0.0001757800000000, 0.0000000000000000, -0.0013407900000000 ] - [ -0.0001029500000000, 0.0000239100000000, -0.0013311800000000 ] - [ -0.0001029500000000, -0.0000239100000000, -0.0013311800000000 ] - [ 0.0075181500000000, 0.0000000000000000, -0.0003670300000000 ] - [ 0.0032171500000000, -0.0001594400000000, 0.0000894400000000 ] - [ 0.0032171500000000, 0.0001594400000000, 0.0000894400000000 ] - [ 0.0006115400000000, 0.0000000000000000, 0.0004936700000000 ] - [ 0.0004164400000000, -0.0001260300000000, -0.0006722600000000 ] - [ 0.0004164400000000, 0.0001260300000000, -0.0006722600000000 ] - [ -0.0128904700000000, 0.0000000000000000, 0.0216409000000000 ] - [ -0.0006803600000000, 0.0009152100000000, -0.0003257200000000 ] - [ -0.0006803600000000, -0.0009152100000000, -0.0003257200000000 ] - [ 0.1916965100000000, 0.0000000000000000, 0.0038979100000000 ] - [ 0.0077214700000000, 0.0001954900000000, 0.0006608600000000 ] - [ 0.0077214700000000, -0.0001954900000000, 0.0006608600000000 ] - [ -0.0128148900000000, 0.0000000000000000, 0.0219333800000000 ] - [ -0.0004046200000000, -0.0009779500000000, 0.0006090400000000 ] - [ -0.0004046200000000, 0.0009779500000000, 0.0006090400000000 ] - [ -0.0027983900000000, 0.0000000000000000, 0.0003987600000000 ] - [ 0.0017815700000000, 0.0000286900000000, 0.0004461700000000 ] - [ 0.0017815700000000, -0.0000286900000000, 0.0004461700000000 ] - [ -0.0103806000000000, 0.0000000000000000, -0.0284652600000000 ] - [ 0.0001162100000000, 0.0009893500000000, -0.0032915700000000 ] - [ 0.0001162100000000, -0.0009893500000000, -0.0032915700000000 ] - [ 0.0083987800000000, 0.0000000000000000, -0.0007012400000000 ] - [ 0.0039540800000000, -0.0002629000000000, -0.0006082700000000 ] - [ 0.0039540800000000, 0.0002629000000000, -0.0006082700000000 ] - [ -0.0133351200000000, 0.0000000000000000, -0.0216426800000000 ] - [ -0.0004126100000000, -0.0009077500000000, -0.0029299400000000 ] - [ -0.0004126100000000, 0.0009077500000000, -0.0029299400000000 ] - [ 0.0017814400000000, 0.0000000000000000, -0.0002012100000000 ] - [ 0.0016271700000000, 0.0000010100000000, -0.0001915900000000 ] - [ 0.0016271700000000, -0.0000010100000000, -0.0001915900000000 ] - [ 0.0008324900000000, 0.0000000000000000, -0.0026290200000000 ] - [ 0.0005114800000000, -0.0001334200000000, -0.0010759900000000 ] - [ 0.0005114800000000, 0.0001334200000000, -0.0010759900000000 ] - [ -0.0029271900000000, 0.0000000000000000, -0.0005312400000000 ] - [ 0.0015057700000000, 0.0000028300000000, -0.0001781500000000 ] - [ 0.0015057700000000, -0.0000028300000000, -0.0001781500000000 ] - [ -0.0001500500000000, 0.0000000000000000, -0.0003230800000000 ] - [ -0.0000975300000000, 0.0001381000000000, -0.0015671400000000 ] - [ -0.0000975300000000, -0.0001381000000000, -0.0015671400000000 ] - [ -0.0651646200000000, 0.0000000000000000, -0.0000588900000000 ] - [ -0.0039045500000000, -0.0000524900000000, 0.0002225100000000 ] - [ -0.0039045500000000, 0.0000524900000000, 0.0002225100000000 ] - [ 0.0020156300000000, 0.0000000000000000, 0.0002293500000000 ] - [ 0.0022070300000000, -0.0000005900000000, 0.0002484400000000 ] - [ 0.0022070300000000, 0.0000005900000000, 0.0002484400000000 ] - [ 0.0054833000000000, -0.0016663600000000, -0.0046156100000000 ] - [ 0.0054833000000000, 0.0016663600000000, -0.0046156100000000 ] - [ 0.0054655600000000, 0.0000000000000000, -0.0038540400000000 ] - [ -0.0069369600000000, -0.0263357500000000, -0.0032201800000000 ] - [ -0.0069369600000000, 0.0263357500000000, -0.0032201800000000 ] - [ 0.0040135300000000, 0.0000000000000000, -0.0032486500000000 ] - [ 0.0049520200000000, 0.0000491900000000, -0.0024974000000000 ] - [ 0.0049520200000000, -0.0000491900000000, -0.0024974000000000 ] - [ 0.0049487800000000, 0.0000000000000000, -0.0025008100000000 ] - [ 0.0069890200000000, -0.0017211400000000, 0.0002337700000000 ] - [ 0.0069890200000000, 0.0017211400000000, 0.0002337700000000 ] - [ 0.0069158800000000, 0.0000000000000000, -0.0003135200000000 ] - [ 0.0047216600000000, 0.0013021300000000, -0.0032080300000000 ] - [ 0.0047216600000000, -0.0013021300000000, -0.0032080300000000 ] - [ 0.0047534900000000, 0.0000000000000000, -0.0039402900000000 ] - [ -0.0080689800000000, 0.0237077300000000, -0.0038461400000000 ] - [ -0.0080689800000000, -0.0237077300000000, -0.0038461400000000 ] - [ 0.0053320400000000, 0.0000000000000000, -0.0042524700000000 ] - [ 0.0069833300000000, 0.0015066200000000, 0.0033667100000000 ] - [ 0.0069833300000000, -0.0015066200000000, 0.0033667100000000 ] - [ 0.0069641400000000, 0.0000000000000000, 0.0040375200000000 ] - [ 0.0005772000000000, 0.0000097200000000, 0.0001225300000000 ] - [ 0.0005772000000000, -0.0000097200000000, 0.0001225300000000 ] - [ 0.0005494100000000, 0.0000000000000000, 0.0001134000000000 ] - [ -0.0008021300000000, 0.0001048500000000, 0.0001217600000000 ] - [ -0.0008021300000000, -0.0001048500000000, 0.0001217600000000 ] - [ -0.0005882900000000, 0.0000000000000000, 0.0000610000000000 ] - [ -0.0081791900000000, -0.0017104500000000, -0.0021977500000000 ] - [ -0.0081791900000000, 0.0017104500000000, -0.0021977500000000 ] - [ -0.0013818500000000, 0.0000000000000000, -0.0000488600000000 ] - [ 0.0004357600000000, -0.0000038800000000, 0.0000317700000000 ] - [ 0.0004357600000000, 0.0000038800000000, 0.0000317700000000 ] - [ 0.0002337400000000, 0.0000000000000000, 0.0000295400000000 ] - [ 0.0048249400000000, 0.0002834700000000, 0.0001571900000000 ] - [ 0.0048249400000000, -0.0002834700000000, 0.0001571900000000 ] - [ 0.0003425300000000, 0.0000000000000000, -0.0000670300000000 ] - [ -0.0079750900000000, -0.0019461200000000, 0.0016910500000000 ] - [ -0.0079750900000000, 0.0019461200000000, 0.0016910500000000 ] - [ -0.0007090700000000, 0.0000000000000000, -0.0001339900000000 ] - [ 0.0047841500000000, 0.0002006500000000, -0.0003330400000000 ] - [ 0.0047841500000000, -0.0002006500000000, -0.0003330400000000 ] - [ 0.0003283000000000, 0.0000000000000000, -0.0000611100000000 ] - [ -0.0103864600000000, 0.0000000000000000, 0.0096158700000000 ] - [ -0.0094879200000000, 0.0010445000000000, -0.0019529000000000 ] - [ -0.0094879200000000, -0.0010445000000000, -0.0019529000000000 ] - [ -0.0110791000000000, 0.0000000000000000, 0.0045221300000000 ] - [ -0.0111523900000000, -0.0000658700000000, 0.0049023100000000 ] - [ -0.0111523900000000, 0.0000658700000000, 0.0049023100000000 ] - [ -0.0034333000000000, 0.0000000000000000, 0.0093656400000000 ] - [ -0.0034192500000000, 0.0000640700000000, 0.0088930900000000 ] - [ -0.0034192500000000, -0.0000640700000000, 0.0088930900000000 ] - [ -0.0059307000000000, 0.0000000000000000, 0.0055579000000000 ] - [ -0.0059722300000000, -0.0000734800000000, 0.0051751500000000 ] - [ -0.0059722300000000, 0.0000734800000000, 0.0051751500000000 ] - [ -0.0062598500000000, 0.0000000000000000, -0.0060407000000000 ] - [ -0.0062688100000000, 0.0008109000000000, 0.0044451500000000 ] - [ -0.0062688100000000, -0.0008109000000000, 0.0044451500000000 ] - [ -0.0079563500000000, 0.0000000000000000, 0.0180390200000000 ] - [ -0.0077835500000000, -0.0009792700000000, 0.0059918900000000 ] - [ -0.0077835500000000, 0.0009792700000000, 0.0059918900000000 ] - [ -0.0067456900000000, 0.0000000000000000, 0.0032014500000000 ] - [ -0.0067419200000000, 0.0000184300000000, 0.0033768500000000 ] - [ -0.0067419200000000, -0.0000184300000000, 0.0033768500000000 ] - [ -0.0486943300000000, 0.0000000000000000, 0.0019695600000000 ] - [ -0.0070458600000000, -0.0126317900000000, 0.0046425800000000 ] - [ -0.0070458600000000, 0.0126317900000000, 0.0046425800000000 ] - [ -0.0105178800000000, 0.0000000000000000, -0.0099324800000000 ] - [ -0.0091891200000000, -0.0009724700000000, 0.0013569500000000 ] - [ -0.0091891200000000, 0.0009724700000000, 0.0013569500000000 ] - [ 0.0256013900000000, 0.0000000000000000, 0.0049946200000000 ] - [ -0.0062777900000000, 0.0118934200000000, 0.0048808500000000 ] - [ -0.0062777900000000, -0.0118934200000000, 0.0048808500000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005345600000000, 0.0000312600000000, -0.0000628600000000 ] - [ -0.0005357500000000, 0.0000321200000000, -0.0000685500000000 ] - [ -0.0005352500000000, -0.0000631200000000, -0.0000661000000000 ] - [ -0.0001351000000000, 0.0001339100000000, 0.0002392600000000 ] - [ -0.0001299700000000, 0.0001366000000000, -0.0001247500000000 ] - [ -0.0001328500000000, -0.0002918100000000, 0.0000571100000000 ] - [ -0.0001530400000000, 0.0000960400000000, 0.0004319200000000 ] - [ -0.0001580600000000, 0.0000989500000000, 0.0001884700000000 ] - [ -0.0001555500000000, -0.0001942700000000, 0.0003093000000000 ] - [ 0.0044797000000000, -0.0001348800000000, -0.0036523000000000 ] - [ 0.0044948800000000, -0.0001372100000000, -0.0037458100000000 ] - [ 0.0044874700000000, 0.0002713400000000, -0.0036995600000000 ] - [ 0.0096329900000000, -0.0001770800000000, -0.0034778400000000 ] - [ 0.0096392000000000, -0.0001817300000000, -0.0034099400000000 ] - [ 0.0096362200000000, 0.0003564700000000, -0.0034436700000000 ] - [ 0.0013756300000000, -0.0001780100000000, -0.0072498500000000 ] - [ 0.0013832100000000, -0.0001822900000000, -0.0071786200000000 ] - [ 0.0013793500000000, 0.0003541100000000, -0.0072139900000000 ] - [ -0.0006470900000000, -0.0002538700000000, -0.0012930800000000 ] - [ -0.0007013300000000, 0.0001165900000000, -0.0018937200000000 ] - [ -0.0005932200000000, 0.0001191200000000, -0.0007128200000000 ] - [ 0.0019713700000000, -0.0000706100000000, 0.0002576000000000 ] - [ 0.0019724800000000, 0.0000359400000000, 0.0001975400000000 ] - [ 0.0019655800000000, 0.0000368300000000, 0.0003157600000000 ] - [ -0.0003189800000000, -0.0000757900000000, -0.0019762100000000 ] - [ -0.0003061300000000, 0.0000329900000000, -0.0019203100000000 ] - [ -0.0003315300000000, 0.0000337600000000, -0.0020324300000000 ] - [ 0.0019455700000000, -0.0000919200000000, 0.0000565200000000 ] - [ 0.0019456400000000, 0.0000461000000000, -0.0000176800000000 ] - [ 0.0019489800000000, 0.0000471500000000, 0.0001285000000000 ] - [ -0.0000496800000000, -0.0000716300000000, -0.0013274000000000 ] - [ -0.0000785500000000, 0.0000352400000000, -0.0012713400000000 ] - [ -0.0000216200000000, 0.0000360800000000, -0.0013800400000000 ] - [ 0.0022749000000000, -0.0012323300000000, -0.0000877500000000 ] - [ 0.0021026300000000, 0.0009353300000000, -0.0011027500000000 ] - [ 0.0024533600000000, 0.0009299900000000, 0.0009083300000000 ] - [ 0.0003442000000000, -0.0002856400000000, -0.0012264200000000 ] - [ 0.0003478100000000, 0.0001198800000000, -0.0017895700000000 ] - [ 0.0003397800000000, 0.0001222000000000, -0.0006812400000000 ] - [ -0.0004732900000000, -0.0042401000000000, -0.0020138900000000 ] - [ -0.0009084000000000, 0.0012116700000000, -0.0003772300000000 ] - [ -0.0001068600000000, 0.0012151700000000, -0.0035083100000000 ] - [ 0.0023504300000000, -0.0608503200000000, 0.0003234700000000 ] - [ 0.0026802400000000, 0.0027034900000000, 0.0003368800000000 ] - [ 0.0022814900000000, 0.0027000700000000, 0.0007362600000000 ] - [ -0.0004984600000000, -0.0041321700000000, -0.0011091800000000 ] - [ -0.0001878400000000, 0.0011247000000000, -0.0028451000000000 ] - [ -0.0007646500000000, 0.0011262300000000, 0.0005156000000000 ] - [ 0.0026100200000000, -0.0004628300000000, 0.0004520300000000 ] - [ 0.0025893500000000, 0.0002785600000000, 0.0000676400000000 ] - [ 0.0026223800000000, 0.0002826300000000, 0.0008140700000000 ] - [ 0.0001611000000000, -0.0043311500000000, -0.0014397600000000 ] - [ -0.0001458100000000, 0.0011384400000000, -0.0032510900000000 ] - [ 0.0004062700000000, 0.0011418500000000, 0.0002194800000000 ] - [ 0.0029327000000000, -0.0017928400000000, -0.0003510200000000 ] - [ 0.0027925900000000, 0.0017040600000000, 0.0012789900000000 ] - [ 0.0030752300000000, 0.0016879400000000, -0.0019616100000000 ] - [ -0.0003064600000000, -0.0039386900000000, -0.0014621200000000 ] - [ 0.0001061700000000, 0.0011179700000000, 0.0000684400000000 ] - [ -0.0006651400000000, 0.0011190800000000, -0.0028893400000000 ] - [ 0.0014151900000000, -0.0000499600000000, -0.0001823100000000 ] - [ 0.0014317700000000, 0.0000237900000000, -0.0000913000000000 ] - [ 0.0013995200000000, 0.0000244300000000, -0.0002711100000000 ] - [ 0.0004193700000000, -0.0002765700000000, -0.0004606800000000 ] - [ 0.0004495200000000, 0.0001121800000000, 0.0003141800000000 ] - [ 0.0003880400000000, 0.0001137900000000, -0.0012144100000000 ] - [ 0.0023510300000000, -0.0004774600000000, -0.0001755500000000 ] - [ 0.0024203300000000, 0.0002885100000000, 0.0001771400000000 ] - [ 0.0022798700000000, 0.0002913400000000, -0.0005064000000000 ] - [ -0.0001260200000000, -0.0002556100000000, -0.0020686000000000 ] - [ -0.0001860400000000, 0.0001168200000000, -0.0013311700000000 ] - [ -0.0000654800000000, 0.0001186700000000, -0.0027856800000000 ] - [ 0.0024468800000000, 0.0013502800000000, 0.0001833100000000 ] - [ 0.0023309400000000, 0.0030974100000000, 0.0000941800000000 ] - [ 0.0025396800000000, 0.0030842400000000, 0.0002759300000000 ] - [ 0.0024137600000000, -0.0000664200000000, 0.0002612100000000 ] - [ 0.0024052800000000, 0.0000339100000000, 0.0003604600000000 ] - [ 0.0024215900000000, 0.0000345500000000, 0.0001644200000000 ] - [ 0.0057885100000000, -0.0007068200000000, -0.0028775200000000 ] - [ 0.0052613600000000, -0.0007259600000000, -0.0040563600000000 ] - [ 0.0055266400000000, 0.0014147200000000, -0.0034690100000000 ] - [ 0.0190305900000000, 0.0110861300000000, -0.0029711200000000 ] - [ -0.0099224900000000, 0.0111204600000000, -0.0038527500000000 ] - [ 0.0046496400000000, 0.0052578200000000, -0.0034073500000000 ] - [ 0.0049433300000000, -0.0001364700000000, -0.0025380300000000 ] - [ 0.0049505900000000, -0.0001411500000000, -0.0026204500000000 ] - [ 0.0049469200000000, 0.0002697200000000, -0.0025797600000000 ] - [ 0.0073346200000000, -0.0009539100000000, -0.0014136600000000 ] - [ 0.0065034400000000, -0.0009759800000000, 0.0000703000000000 ] - [ 0.0069218400000000, 0.0019719100000000, -0.0006713400000000 ] - [ 0.0043153200000000, -0.0006982500000000, -0.0036976500000000 ] - [ 0.0051295800000000, -0.0007150200000000, -0.0049725200000000 ] - [ 0.0047202600000000, 0.0013463900000000, -0.0043362200000000 ] - [ -0.0086260400000000, 0.0099295600000000, -0.0034313200000000 ] - [ 0.0192509100000000, 0.0100058900000000, -0.0045760900000000 ] - [ 0.0052066900000000, 0.0055570300000000, -0.0039994700000000 ] - [ 0.0064392000000000, -0.0008985600000000, 0.0037215000000000 ] - [ 0.0073222500000000, -0.0009171200000000, 0.0050143200000000 ] - [ 0.0068783800000000, 0.0018544100000000, 0.0043680100000000 ] - [ 0.0004304100000000, 0.0000678700000000, 0.0001126800000000 ] - [ 0.0004323100000000, 0.0000699700000000, 0.0001037800000000 ] - [ 0.0004314000000000, -0.0001376700000000, 0.0001082600000000 ] - [ -0.0003012900000000, 0.0002153800000000, -0.0001704400000000 ] - [ -0.0003041100000000, 0.0002219800000000, 0.0003485800000000 ] - [ -0.0003025300000000, -0.0004451700000000, 0.0000907000000000 ] - [ 0.0000041000000000, -0.0013077100000000, -0.0061200400000000 ] - [ -0.0007879200000000, -0.0012067700000000, 0.0057208000000000 ] - [ -0.0003955800000000, -0.0017559100000000, -0.0001655500000000 ] - [ -0.0000399600000000, 0.0001625300000000, -0.0001666100000000 ] - [ -0.0000321800000000, 0.0001674200000000, 0.0002614600000000 ] - [ -0.0000358300000000, -0.0003355300000000, 0.0000493100000000 ] - [ -0.0007284000000000, 0.0009794400000000, -0.0018893800000000 ] - [ -0.0004397000000000, 0.0010173500000000, 0.0019678100000000 ] - [ -0.0005818200000000, -0.0016194300000000, 0.0000446700000000 ] - [ 0.0002127500000000, 0.0028470800000000, 0.0025533600000000 ] - [ -0.0000231900000000, 0.0031086700000000, -0.0022497400000000 ] - [ 0.0000905900000000, -0.0019768500000000, 0.0000274300000000 ] - [ -0.0008056900000000, 0.0009890000000000, 0.0017449900000000 ] - [ -0.0004145000000000, 0.0010259200000000, -0.0020664300000000 ] - [ -0.0006080700000000, -0.0016665400000000, -0.0001653700000000 ] - [ -0.0094465500000000, 0.0025929600000000, -0.0032804600000000 ] - [ -0.0102026900000000, -0.0012798600000000, -0.0052422400000000 ] - [ -0.0086817000000000, -0.0012890800000000, -0.0013914500000000 ] - [ -0.0111816900000000, 0.0003073100000000, 0.0051891100000000 ] - [ -0.0111237200000000, -0.0001503600000000, 0.0046877700000000 ] - [ -0.0112384100000000, -0.0001544800000000, 0.0056769800000000 ] - [ -0.0034623100000000, 0.0003198700000000, 0.0084944400000000 ] - [ -0.0035294400000000, -0.0001516100000000, 0.0079984000000000 ] - [ -0.0033965500000000, -0.0001556300000000, 0.0089801500000000 ] - [ -0.0059706700000000, 0.0002304400000000, 0.0049115100000000 ] - [ -0.0059506300000000, -0.0001145800000000, 0.0051739100000000 ] - [ -0.0059858700000000, -0.0001156700000000, 0.0046589800000000 ] - [ -0.0064007100000000, 0.0017582000000000, 0.0057436800000000 ] - [ -0.0067470600000000, -0.0008537400000000, 0.0073723200000000 ] - [ -0.0060478400000000, -0.0008617100000000, 0.0041700700000000 ] - [ -0.0075159700000000, 0.0017249800000000, 0.0047369000000000 ] - [ -0.0069565000000000, -0.0008238900000000, 0.0064301900000000 ] - [ -0.0080814600000000, -0.0008372700000000, 0.0031315800000000 ] - [ -0.0067543800000000, 0.0002387900000000, 0.0036355100000000 ] - [ -0.0067661900000000, -0.0001112600000000, 0.0038973200000000 ] - [ -0.0067458400000000, -0.0001169500000000, 0.0033806500000000 ] - [ -0.0067874800000000, 0.0207723100000000, 0.0044905000000000 ] - [ -0.0069563900000000, -0.0101147100000000, 0.0048364100000000 ] - [ -0.0069500100000000, -0.0101050700000000, 0.0041317700000000 ] - [ -0.0087506300000000, 0.0024712200000000, 0.0025405200000000 ] - [ -0.0079199600000000, -0.0012014300000000, 0.0007272600000000 ] - [ -0.0095922000000000, -0.0012126100000000, 0.0042686100000000 ] - [ -0.0070988600000000, 0.0176101000000000, 0.0051602500000000 ] - [ -0.0074175900000000, -0.0093394300000000, 0.0055423900000000 ] - [ -0.0066020000000000, -0.0093061500000000, 0.0047716100000000 ]- atom: 43 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005299100000000, 0.0000090500000000, -0.0004851500000000 ] - [ -0.0005299100000000, -0.0000090500000000, -0.0004851500000000 ] - [ -0.0005308100000000, 0.0000000000000000, -0.0004154200000000 ] - [ -0.0001180900000000, 0.0002632800000000, -0.0004691600000000 ] - [ -0.0001180900000000, -0.0002632800000000, -0.0004691600000000 ] - [ -0.0001273900000000, 0.0000000000000000, -0.0002542700000000 ] - [ -0.0001725900000000, 0.0002784700000000, -0.0001780600000000 ] - [ -0.0001725900000000, -0.0002784700000000, -0.0001780600000000 ] - [ -0.0001553100000000, 0.0000000000000000, 0.0000494300000000 ] - [ 0.0045402100000000, 0.0002343900000000, -0.0030448000000000 ] - [ 0.0045402100000000, -0.0002343900000000, -0.0030448000000000 ] - [ 0.0045489700000000, 0.0000000000000000, -0.0031983300000000 ] - [ 0.0095564200000000, -0.0003302600000000, -0.0028547600000000 ] - [ 0.0095564200000000, 0.0003302600000000, -0.0028547600000000 ] - [ 0.0095557500000000, 0.0000000000000000, -0.0029643700000000 ] - [ 0.0014604000000000, -0.0003361000000000, -0.0066264700000000 ] - [ 0.0014604000000000, 0.0003361000000000, -0.0066264700000000 ] - [ 0.0014491500000000, 0.0000000000000000, -0.0067390200000000 ] - [ -0.0006328000000000, 0.0000000000000000, 0.0015298700000000 ] - [ -0.0006079000000000, -0.0002226600000000, -0.0002408800000000 ] - [ -0.0006079000000000, 0.0002226600000000, -0.0002408800000000 ] - [ 0.0020197700000000, 0.0000000000000000, 0.0009783400000000 ] - [ 0.0020095000000000, -0.0000628800000000, 0.0006951700000000 ] - [ 0.0020095000000000, 0.0000628800000000, 0.0006951700000000 ] - [ -0.0002536000000000, 0.0000000000000000, 0.0005189500000000 ] - [ -0.0002835300000000, 0.0000076800000000, -0.0002446700000000 ] - [ -0.0002835300000000, -0.0000076800000000, -0.0002446700000000 ] - [ 0.0019917600000000, 0.0000000000000000, 0.0009226800000000 ] - [ 0.0019878400000000, -0.0000862700000000, 0.0005976200000000 ] - [ 0.0019878400000000, 0.0000862700000000, 0.0005976200000000 ] - [ -0.0000218300000000, 0.0000000000000000, 0.0010494400000000 ] - [ -0.0000364100000000, 0.0000059100000000, 0.0003559900000000 ] - [ -0.0000364100000000, -0.0000059100000000, 0.0003559900000000 ] - [ 0.0021403600000000, 0.0000000000000000, 0.0017537100000000 ] - [ 0.0024379400000000, -0.0010430200000000, 0.0004842100000000 ] - [ 0.0024379400000000, 0.0010430200000000, 0.0004842100000000 ] - [ 0.0003295500000000, 0.0000000000000000, 0.0016980300000000 ] - [ 0.0002751500000000, -0.0002203800000000, -0.0001836900000000 ] - [ 0.0002751500000000, 0.0002203800000000, -0.0001836900000000 ] - [ -0.0129766400000000, 0.0000000000000000, 0.0044124400000000 ] - [ -0.0008410900000000, 0.0005328500000000, -0.0042251500000000 ] - [ -0.0008410900000000, -0.0005328500000000, -0.0042251500000000 ] - [ -0.0004537000000000, 0.0000000000000000, -0.0546527900000000 ] - [ 0.0023692600000000, 0.0001977200000000, -0.0013652300000000 ] - [ 0.0023692600000000, -0.0001977200000000, -0.0013652300000000 ] - [ -0.0132531900000000, 0.0000000000000000, 0.0066164800000000 ] - [ -0.0008645400000000, -0.0006195100000000, -0.0029594300000000 ] - [ -0.0008645400000000, 0.0006195100000000, -0.0029594300000000 ] - [ 0.0028224600000000, 0.0000000000000000, 0.0026831800000000 ] - [ 0.0026072700000000, -0.0003837900000000, 0.0004219300000000 ] - [ 0.0026072700000000, 0.0003837900000000, 0.0004219300000000 ] - [ 0.0139513800000000, 0.0000000000000000, 0.0076809100000000 ] - [ 0.0003530200000000, -0.0005910900000000, -0.0033716900000000 ] - [ 0.0003530200000000, 0.0005910900000000, -0.0033716900000000 ] - [ 0.0028373100000000, 0.0000000000000000, 0.0021246800000000 ] - [ 0.0028430000000000, 0.0016718800000000, 0.0008322100000000 ] - [ 0.0028430000000000, -0.0016718800000000, 0.0008322100000000 ] - [ 0.0115922000000000, 0.0000000000000000, 0.0046134500000000 ] - [ 0.0000941400000000, 0.0005150700000000, -0.0034446600000000 ] - [ 0.0000941400000000, -0.0005150700000000, -0.0034446600000000 ] - [ 0.0015394000000000, 0.0000000000000000, 0.0005559600000000 ] - [ 0.0014791300000000, 0.0000429500000000, 0.0002554100000000 ] - [ 0.0014791300000000, -0.0000429500000000, 0.0002554100000000 ] - [ 0.0006254500000000, 0.0000000000000000, 0.0031454600000000 ] - [ 0.0005619600000000, 0.0001782500000000, 0.0009393000000000 ] - [ 0.0005619600000000, -0.0001782500000000, 0.0009393000000000 ] - [ 0.0025896300000000, 0.0000000000000000, 0.0020110400000000 ] - [ 0.0023793000000000, 0.0003609800000000, -0.0001958700000000 ] - [ 0.0023793000000000, -0.0003609800000000, -0.0001958700000000 ] - [ -0.0001611500000000, 0.0000000000000000, 0.0013368200000000 ] - [ -0.0002194200000000, 0.0001799100000000, -0.0005965200000000 ] - [ -0.0002194200000000, -0.0001799100000000, -0.0005965200000000 ] - [ 0.0027842400000000, 0.0000000000000000, 0.0005259000000000 ] - [ 0.0023987600000000, -0.0002116800000000, -0.0007478000000000 ] - [ 0.0023987600000000, 0.0002116800000000, -0.0007478000000000 ] - [ 0.0023595800000000, 0.0000000000000000, 0.0010766800000000 ] - [ 0.0023749900000000, 0.0000604000000000, 0.0007291500000000 ] - [ 0.0023749900000000, -0.0000604000000000, 0.0007291500000000 ] - [ 0.0058186400000000, 0.0016956200000000, -0.0027707700000000 ] - [ 0.0058186400000000, -0.0016956200000000, -0.0027707700000000 ] - [ 0.0056500200000000, 0.0000000000000000, -0.0036005500000000 ] - [ 0.0051098800000000, 0.0018813300000000, -0.0084971500000000 ] - [ 0.0051098800000000, -0.0018813300000000, -0.0084971500000000 ] - [ 0.0045776700000000, 0.0000000000000000, -0.0043933700000000 ] - [ 0.0048809000000000, 0.0002459300000000, -0.0019307200000000 ] - [ 0.0048809000000000, -0.0002459300000000, -0.0019307200000000 ] - [ 0.0048937100000000, 0.0000000000000000, -0.0020789300000000 ] - [ 0.0064288000000000, -0.0020297800000000, -0.0000622500000000 ] - [ 0.0064288000000000, 0.0020297800000000, -0.0000622500000000 ] - [ 0.0067274800000000, 0.0000000000000000, -0.0008717000000000 ] - [ 0.0043739700000000, 0.0016227400000000, -0.0036385100000000 ] - [ 0.0043739700000000, -0.0016227400000000, -0.0036385100000000 ] - [ 0.0046727200000000, 0.0000000000000000, -0.0044468100000000 ] - [ 0.0049851700000000, 0.0012561300000000, -0.0088939900000000 ] - [ 0.0049851700000000, -0.0012561300000000, -0.0088939900000000 ] - [ 0.0052691400000000, 0.0000000000000000, -0.0049803900000000 ] - [ 0.0073330000000000, -0.0019861700000000, 0.0049841800000000 ] - [ 0.0073330000000000, 0.0019861700000000, 0.0049841800000000 ] - [ 0.0070259800000000, 0.0000000000000000, 0.0041761900000000 ] - [ 0.0004190000000000, 0.0000118700000000, -0.0007193700000000 ] - [ 0.0004190000000000, -0.0000118700000000, -0.0007193700000000 ] - [ 0.0004233300000000, 0.0000000000000000, -0.0005769200000000 ] - [ -0.0002819400000000, -0.0004792300000000, -0.0008623700000000 ] - [ -0.0002819400000000, 0.0004792300000000, -0.0008623700000000 ] - [ -0.0002781800000000, 0.0000000000000000, -0.0004451200000000 ] - [ 0.0000465100000000, -0.0059712900000000, -0.0014311800000000 ] - [ 0.0000465100000000, 0.0059712900000000, -0.0014311800000000 ] - [ -0.0004072300000000, 0.0000000000000000, 0.0007043200000000 ] - [ -0.0000596800000000, -0.0004928200000000, -0.0008739500000000 ] - [ -0.0000596800000000, 0.0004928200000000, -0.0008739500000000 ] - [ -0.0000547400000000, 0.0000000000000000, -0.0004092300000000 ] - [ -0.0007829600000000, -0.0021410100000000, 0.0011038400000000 ] - [ -0.0007829600000000, 0.0021410100000000, 0.0011038400000000 ] - [ -0.0005692900000000, 0.0000000000000000, 0.0007556500000000 ] - [ 0.0000721200000000, 0.0022829400000000, 0.0033574400000000 ] - [ 0.0000721200000000, -0.0022829400000000, 0.0033574400000000 ] - [ 0.0000657700000000, 0.0000000000000000, 0.0012449900000000 ] - [ -0.0004715300000000, 0.0017204600000000, 0.0019398600000000 ] - [ -0.0004715300000000, -0.0017204600000000, 0.0019398600000000 ] - [ -0.0005717400000000, 0.0000000000000000, 0.0008220600000000 ] - [ -0.0102834100000000, 0.0000000000000000, -0.0111676700000000 ] - [ -0.0103582100000000, -0.0019002900000000, -0.0032962600000000 ] - [ -0.0103582100000000, 0.0019002900000000, -0.0032962600000000 ] - [ -0.0108613800000000, 0.0000000000000000, 0.0012669100000000 ] - [ -0.0109731300000000, -0.0002745900000000, 0.0028619000000000 ] - [ -0.0109731300000000, 0.0002745900000000, 0.0028619000000000 ] - [ -0.0039616000000000, 0.0000000000000000, 0.0046128100000000 ] - [ -0.0037500900000000, -0.0002858300000000, 0.0061884900000000 ] - [ -0.0037500900000000, 0.0002858300000000, 0.0061884900000000 ] - [ -0.0062704100000000, 0.0000000000000000, 0.0020188700000000 ] - [ -0.0061674700000000, 0.0001978600000000, 0.0031586400000000 ] - [ -0.0061674700000000, -0.0001978600000000, 0.0031586400000000 ] - [ -0.0063208100000000, 0.0000000000000000, -0.0005102100000000 ] - [ -0.0060510300000000, 0.0014418900000000, 0.0058110700000000 ] - [ -0.0060510300000000, -0.0014418900000000, 0.0058110700000000 ] - [ -0.0074810700000000, 0.0000000000000000, -0.0024951800000000 ] - [ -0.0080318600000000, 0.0014334500000000, 0.0048636600000000 ] - [ -0.0080318600000000, -0.0014334500000000, 0.0048636600000000 ] - [ -0.0065880700000000, 0.0000000000000000, 0.0005621100000000 ] - [ -0.0066454300000000, 0.0002082700000000, 0.0018108100000000 ] - [ -0.0066454300000000, -0.0002082700000000, 0.0018108100000000 ] - [ -0.0026875400000000, 0.0000000000000000, 0.0288625100000000 ] - [ -0.0066131600000000, 0.0008699300000000, 0.0081016300000000 ] - [ -0.0066131600000000, -0.0008699300000000, 0.0081016300000000 ] - [ -0.0085209600000000, 0.0000000000000000, -0.0046413300000000 ] - [ -0.0078386400000000, -0.0017601200000000, 0.0026436700000000 ] - [ -0.0078386400000000, 0.0017601200000000, 0.0026436700000000 ] - [ -0.0098218900000000, 0.0000000000000000, 0.0255607900000000 ] - [ -0.0070966800000000, 0.0005456100000000, 0.0085598400000000 ] - [ -0.0070966800000000, -0.0005456100000000, 0.0085598400000000 ]- atom: 43 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005406500000000, -0.0000084000000000, 0.0003531800000000 ] - [ -0.0005406500000000, 0.0000084000000000, 0.0003531800000000 ] - [ -0.0005397500000000, 0.0000000000000000, 0.0002839700000000 ] - [ -0.0001467900000000, -0.0002616500000000, 0.0005856100000000 ] - [ -0.0001467900000000, 0.0002616500000000, 0.0005856100000000 ] - [ -0.0001376700000000, 0.0000000000000000, 0.0003721500000000 ] - [ -0.0001389600000000, -0.0002765300000000, 0.0007994400000000 ] - [ -0.0001389600000000, 0.0002765300000000, 0.0007994400000000 ] - [ -0.0001559000000000, 0.0000000000000000, 0.0005726700000000 ] - [ 0.0044345800000000, -0.0002379700000000, -0.0043533400000000 ] - [ 0.0044345800000000, 0.0002379700000000, -0.0043533400000000 ] - [ 0.0044259300000000, 0.0000000000000000, -0.0041989500000000 ] - [ 0.0097162900000000, 0.0003275000000000, -0.0040327100000000 ] - [ 0.0097162900000000, -0.0003275000000000, -0.0040327100000000 ] - [ 0.0097169800000000, 0.0000000000000000, -0.0039237300000000 ] - [ 0.0012981100000000, 0.0003327500000000, -0.0078018300000000 ] - [ 0.0012981100000000, -0.0003327500000000, -0.0078018300000000 ] - [ 0.0013091600000000, 0.0000000000000000, -0.0076898100000000 ] - [ -0.0006598300000000, 0.0000000000000000, -0.0041361200000000 ] - [ -0.0006864400000000, 0.0002236100000000, -0.0023559000000000 ] - [ -0.0006864400000000, -0.0002236100000000, -0.0023559000000000 ] - [ 0.0019231500000000, 0.0000000000000000, -0.0004662600000000 ] - [ 0.0019294800000000, 0.0000634100000000, -0.0001805700000000 ] - [ 0.0019294800000000, -0.0000634100000000, -0.0001805700000000 ] - [ -0.0003829600000000, 0.0000000000000000, -0.0044709200000000 ] - [ -0.0003541900000000, -0.0000070300000000, -0.0037090700000000 ] - [ -0.0003541900000000, 0.0000070300000000, -0.0037090700000000 ] - [ 0.0019019700000000, 0.0000000000000000, -0.0008128000000000 ] - [ 0.0019070400000000, 0.0000871900000000, -0.0004856700000000 ] - [ 0.0019070400000000, -0.0000871900000000, -0.0004856700000000 ] - [ -0.0000776700000000, 0.0000000000000000, -0.0037031600000000 ] - [ -0.0000631300000000, -0.0000053500000000, -0.0030079700000000 ] - [ -0.0000631300000000, 0.0000053500000000, -0.0030079700000000 ] - [ 0.0024171200000000, 0.0000000000000000, -0.0019416800000000 ] - [ 0.0021182600000000, 0.0010533600000000, -0.0006725600000000 ] - [ 0.0021182600000000, -0.0010533600000000, -0.0006725600000000 ] - [ 0.0003606100000000, 0.0000000000000000, -0.0041726400000000 ] - [ 0.0004130100000000, 0.0002214800000000, -0.0022774500000000 ] - [ 0.0004130100000000, -0.0002214800000000, -0.0022774500000000 ] - [ 0.0118266600000000, 0.0000000000000000, -0.0083068300000000 ] - [ -0.0001751400000000, -0.0005326500000000, 0.0003109900000000 ] - [ -0.0001751400000000, 0.0005326500000000, 0.0003109900000000 ] - [ 0.0051492200000000, 0.0000000000000000, 0.0554159500000000 ] - [ 0.0025876500000000, -0.0002018300000000, 0.0024380800000000 ] - [ 0.0025876500000000, 0.0002018300000000, 0.0024380800000000 ] - [ 0.0125163100000000, 0.0000000000000000, -0.0090193900000000 ] - [ -0.0000856100000000, 0.0006212900000000, 0.0006661900000000 ] - [ -0.0000856100000000, -0.0006212900000000, 0.0006661900000000 ] - [ 0.0023945700000000, 0.0000000000000000, -0.0018155100000000 ] - [ 0.0026048500000000, 0.0003848000000000, 0.0004677300000000 ] - [ 0.0026048500000000, -0.0003848000000000, 0.0004677300000000 ] - [ -0.0138894800000000, 0.0000000000000000, -0.0107649700000000 ] - [ -0.0000938800000000, 0.0005905300000000, 0.0003723600000000 ] - [ -0.0000938800000000, -0.0005905300000000, 0.0003723600000000 ] - [ 0.0030279300000000, 0.0000000000000000, -0.0027955800000000 ] - [ 0.0030260000000000, -0.0016562500000000, -0.0015201200000000 ] - [ 0.0030260000000000, 0.0016562500000000, -0.0015201200000000 ] - [ -0.0120052000000000, 0.0000000000000000, -0.0074188400000000 ] - [ -0.0006516300000000, -0.0005128400000000, 0.0005945500000000 ] - [ -0.0006516300000000, 0.0005128400000000, 0.0005945500000000 ] - [ 0.0012918300000000, 0.0000000000000000, -0.0009191100000000 ] - [ 0.0013518300000000, -0.0000425300000000, -0.0006191500000000 ] - [ 0.0013518300000000, 0.0000425300000000, -0.0006191500000000 ] - [ 0.0002176600000000, 0.0000000000000000, -0.0040427000000000 ] - [ 0.0002766400000000, -0.0001773500000000, -0.0018503400000000 ] - [ 0.0002766400000000, 0.0001773500000000, -0.0018503400000000 ] - [ 0.0021149000000000, 0.0000000000000000, -0.0023293500000000 ] - [ 0.0023199600000000, -0.0003594000000000, -0.0001386100000000 ] - [ 0.0023199600000000, 0.0003594000000000, -0.0001386100000000 ] - [ -0.0000910400000000, 0.0000000000000000, -0.0054530700000000 ] - [ -0.0000319600000000, -0.0001791600000000, -0.0035293700000000 ] - [ -0.0000319600000000, 0.0001791600000000, -0.0035293700000000 ] - [ 0.0021145900000000, 0.0000000000000000, -0.0001728900000000 ] - [ 0.0024675300000000, 0.0001925700000000, 0.0011197800000000 ] - [ 0.0024675300000000, -0.0001925700000000, 0.0011197800000000 ] - [ 0.0024677100000000, 0.0000000000000000, -0.0005510200000000 ] - [ 0.0024519100000000, -0.0000597200000000, -0.0002052700000000 ] - [ 0.0024519100000000, 0.0000597200000000, -0.0002052700000000 ] - [ 0.0052322600000000, -0.0017019700000000, -0.0041606500000000 ] - [ 0.0052322600000000, 0.0017019700000000, -0.0041606500000000 ] - [ 0.0054029900000000, 0.0000000000000000, -0.0033287300000000 ] - [ 0.0042594800000000, -0.0017410600000000, 0.0016865200000000 ] - [ 0.0042594800000000, 0.0017410600000000, 0.0016865200000000 ] - [ 0.0047211600000000, 0.0000000000000000, -0.0024219000000000 ] - [ 0.0050130000000000, -0.0002486200000000, -0.0032277600000000 ] - [ 0.0050130000000000, 0.0002486200000000, -0.0032277600000000 ] - [ 0.0050000400000000, 0.0000000000000000, -0.0030788200000000 ] - [ 0.0074104400000000, 0.0020218500000000, -0.0012838100000000 ] - [ 0.0074104400000000, -0.0020218500000000, -0.0012838100000000 ] - [ 0.0071161300000000, 0.0000000000000000, -0.0004774400000000 ] - [ 0.0050690000000000, -0.0016311100000000, -0.0050279500000000 ] - [ 0.0050690000000000, 0.0016311100000000, -0.0050279500000000 ] - [ 0.0047676500000000, 0.0000000000000000, -0.0042163300000000 ] - [ 0.0053689600000000, -0.0011610400000000, 0.0008997400000000 ] - [ 0.0053689600000000, 0.0011610400000000, 0.0008997400000000 ] - [ 0.0051374000000000, 0.0000000000000000, -0.0030200300000000 ] - [ 0.0064273200000000, 0.0019763400000000, 0.0037499000000000 ] - [ 0.0064273200000000, -0.0019763400000000, 0.0037499000000000 ] - [ 0.0067303000000000, 0.0000000000000000, 0.0045535600000000 ] - [ 0.0004438100000000, -0.0000107000000000, 0.0009351400000000 ] - [ 0.0004438100000000, 0.0000107000000000, 0.0009351400000000 ] - [ 0.0004395100000000, 0.0000000000000000, 0.0007928600000000 ] - [ -0.0003232200000000, 0.0004802600000000, 0.0010410700000000 ] - [ -0.0003232200000000, -0.0004802600000000, 0.0010410700000000 ] - [ -0.0003271400000000, 0.0000000000000000, 0.0006230100000000 ] - [ -0.0008297000000000, 0.0058974000000000, 0.0009822000000000 ] - [ -0.0008297000000000, -0.0058974000000000, 0.0009822000000000 ] - [ -0.0003843600000000, 0.0000000000000000, -0.0010507200000000 ] - [ -0.0000124000000000, 0.0004973600000000, 0.0009715300000000 ] - [ -0.0000124000000000, -0.0004973600000000, 0.0009715300000000 ] - [ -0.0000168400000000, 0.0000000000000000, 0.0005043800000000 ] - [ -0.0003838000000000, 0.0021416400000000, -0.0010574500000000 ] - [ -0.0003838000000000, -0.0021416400000000, -0.0010574500000000 ] - [ -0.0005939500000000, 0.0000000000000000, -0.0006872400000000 ] - [ 0.0001170900000000, -0.0024935200000000, -0.0030979800000000 ] - [ 0.0001170900000000, 0.0024935200000000, -0.0030979800000000 ] - [ 0.0001158000000000, 0.0000000000000000, -0.0011733700000000 ] - [ -0.0007483200000000, -0.0017240600000000, -0.0022285000000000 ] - [ -0.0007483200000000, 0.0017240600000000, -0.0022285000000000 ] - [ -0.0006431400000000, 0.0000000000000000, -0.0011331100000000 ] - [ -0.0086190700000000, 0.0000000000000000, 0.0045195700000000 ] - [ -0.0085268600000000, 0.0018888300000000, -0.0033070000000000 ] - [ -0.0085268600000000, -0.0018888300000000, -0.0033070000000000 ] - [ -0.0115012900000000, 0.0000000000000000, 0.0090989600000000 ] - [ -0.0113893700000000, 0.0002724000000000, 0.0075100000000000 ] - [ -0.0113893700000000, -0.0002724000000000, 0.0075100000000000 ] - [ -0.0029655100000000, 0.0000000000000000, 0.0123647000000000 ] - [ -0.0031754100000000, 0.0002834200000000, 0.0107974800000000 ] - [ -0.0031754100000000, -0.0002834200000000, 0.0107974800000000 ] - [ -0.0056718800000000, 0.0000000000000000, 0.0078143800000000 ] - [ -0.0057697100000000, -0.0002020300000000, 0.0066714400000000 ] - [ -0.0057697100000000, 0.0002020300000000, 0.0066714400000000 ] - [ -0.0064809800000000, 0.0000000000000000, 0.0120822100000000 ] - [ -0.0067444100000000, -0.0014518100000000, 0.0057041900000000 ] - [ -0.0067444100000000, 0.0014518100000000, 0.0057041900000000 ] - [ -0.0075623800000000, 0.0000000000000000, 0.0120667300000000 ] - [ -0.0070061100000000, -0.0014378900000000, 0.0046715100000000 ] - [ -0.0070061100000000, 0.0014378900000000, 0.0046715100000000 ] - [ -0.0069231400000000, 0.0000000000000000, 0.0067199700000000 ] - [ -0.0068672900000000, -0.0002081900000000, 0.0054630100000000 ] - [ -0.0068672900000000, 0.0002081900000000, 0.0054630100000000 ] - [ -0.0108867500000000, 0.0000000000000000, -0.0198174900000000 ] - [ -0.0072820900000000, -0.0008058600000000, 0.0008632200000000 ] - [ -0.0072820900000000, 0.0008058600000000, 0.0008632200000000 ] - [ -0.0089810600000000, 0.0000000000000000, 0.0096407400000000 ] - [ -0.0096728900000000, 0.0017513800000000, 0.0023777600000000 ] - [ -0.0096728900000000, -0.0017513800000000, 0.0023777600000000 ] - [ -0.0043716900000000, 0.0000000000000000, -0.0152104100000000 ] - [ -0.0069138400000000, -0.0005056200000000, 0.0017459600000000 ] - [ -0.0069138400000000, 0.0005056200000000, 0.0017459600000000 ]- atom: 46 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005073200000000, 0.0000060600000000, -0.0000893700000000 ] - [ -0.0005073200000000, -0.0000060600000000, -0.0000893700000000 ] - [ -0.0005230000000000, 0.0000000000000000, -0.0000846200000000 ] - [ -0.0001087100000000, 0.0000168800000000, 0.0000604200000000 ] - [ -0.0001087100000000, -0.0000168800000000, 0.0000604200000000 ] - [ -0.0001226800000000, 0.0000000000000000, 0.0000652700000000 ] - [ -0.0001750700000000, 0.0000180800000000, 0.0002957200000000 ] - [ -0.0001750700000000, -0.0000180800000000, 0.0002957200000000 ] - [ -0.0001656700000000, 0.0000000000000000, 0.0003065600000000 ] - [ 0.0045622100000000, 0.0000707300000000, -0.0036219500000000 ] - [ 0.0045622100000000, -0.0000707300000000, -0.0036219500000000 ] - [ 0.0045215700000000, 0.0000000000000000, -0.0036470800000000 ] - [ 0.0096394200000000, -0.0000211800000000, -0.0034250000000000 ] - [ 0.0096394200000000, 0.0000211800000000, -0.0034250000000000 ] - [ 0.0096380000000000, 0.0000000000000000, -0.0034289000000000 ] - [ 0.0013812600000000, -0.0000808900000000, -0.0072065200000000 ] - [ 0.0013812600000000, 0.0000808900000000, -0.0072065200000000 ] - [ 0.0013801200000000, 0.0000000000000000, -0.0072057100000000 ] - [ 0.0017949700000000, 0.0000000000000000, 0.0001113400000000 ] - [ -0.0005205800000000, -0.0000147200000000, -0.0010623500000000 ] - [ -0.0005205800000000, 0.0000147200000000, -0.0010623500000000 ] - [ 0.0017857600000000, 0.0000000000000000, 0.0004291500000000 ] - [ 0.0019170100000000, -0.0000238300000000, 0.0003316900000000 ] - [ 0.0019170100000000, 0.0000238300000000, 0.0003316900000000 ] - [ -0.0002467700000000, 0.0000000000000000, -0.0022659900000000 ] - [ -0.0003222800000000, 0.0000237600000000, -0.0019486500000000 ] - [ -0.0003222800000000, -0.0000237600000000, -0.0019486500000000 ] - [ 0.0023823600000000, 0.0000000000000000, 0.0001055800000000 ] - [ 0.0019868700000000, 0.0000712700000000, 0.0000269900000000 ] - [ 0.0019868700000000, -0.0000712700000000, 0.0000269900000000 ] - [ -0.0000132900000000, 0.0000000000000000, -0.0011414000000000 ] - [ -0.0000250300000000, -0.0000002100000000, -0.0012296200000000 ] - [ -0.0000250300000000, 0.0000002100000000, -0.0012296200000000 ] - [ 0.0165950600000000, 0.0000000000000000, 0.0152028400000000 ] - [ 0.0022056000000000, -0.0004917100000000, 0.0004771700000000 ] - [ 0.0022056000000000, 0.0004917100000000, 0.0004771700000000 ] - [ 0.0011324900000000, 0.0000000000000000, -0.0041931200000000 ] - [ 0.0002668200000000, 0.0000743500000000, -0.0012078600000000 ] - [ 0.0002668200000000, -0.0000743500000000, -0.0012078600000000 ] - [ 0.0021208700000000, 0.0000000000000000, -0.0019243400000000 ] - [ -0.0003531200000000, 0.0000315600000000, -0.0021196300000000 ] - [ -0.0003531200000000, -0.0000315600000000, -0.0021196300000000 ] - [ 0.0147906400000000, 0.0000000000000000, -0.0122517400000000 ] - [ 0.0024086800000000, -0.0002873900000000, 0.0001542700000000 ] - [ 0.0024086800000000, 0.0002873900000000, 0.0001542700000000 ] - [ -0.0550270900000000, 0.0000000000000000, -0.0075176400000000 ] - [ -0.0014073000000000, -0.0001184000000000, -0.0012588600000000 ] - [ -0.0014073000000000, 0.0001184000000000, -0.0012588600000000 ] - [ 0.0131677900000000, 0.0000000000000000, -0.0124629600000000 ] - [ 0.0026634900000000, 0.0003110400000000, 0.0001232000000000 ] - [ 0.0026634900000000, -0.0003110400000000, 0.0001232000000000 ] - [ 0.0041181200000000, 0.0000000000000000, -0.0020789500000000 ] - [ 0.0016974300000000, -0.0001564500000000, -0.0016142500000000 ] - [ 0.0016974300000000, 0.0001564500000000, -0.0016142500000000 ] - [ 0.0029813200000000, 0.0000000000000000, -0.0004672300000000 ] - [ 0.0028968700000000, -0.0000416200000000, -0.0004491300000000 ] - [ 0.0028968700000000, 0.0000416200000000, -0.0004491300000000 ] - [ 0.0006339400000000, 0.0000000000000000, 0.0005024100000000 ] - [ -0.0003407700000000, 0.0000690300000000, -0.0014688000000000 ] - [ -0.0003407700000000, -0.0000690300000000, -0.0014688000000000 ] - [ 0.0013396900000000, 0.0000000000000000, -0.0001492300000000 ] - [ 0.0013878500000000, 0.0000061400000000, -0.0001707800000000 ] - [ 0.0013878500000000, -0.0000061400000000, -0.0001707800000000 ] - [ 0.0003670300000000, 0.0000000000000000, -0.0001336300000000 ] - [ 0.0004062600000000, 0.0000248700000000, -0.0004303000000000 ] - [ 0.0004062600000000, -0.0000248700000000, -0.0004303000000000 ] - [ 0.0026130700000000, 0.0000000000000000, -0.0000807300000000 ] - [ 0.0023703000000000, 0.0000499900000000, -0.0001415000000000 ] - [ 0.0023703000000000, -0.0000499900000000, -0.0001415000000000 ] - [ -0.0000896000000000, 0.0000000000000000, -0.0020115400000000 ] - [ -0.0001188400000000, 0.0000072700000000, -0.0020661800000000 ] - [ -0.0001188400000000, -0.0000072700000000, -0.0020661800000000 ] - [ 0.0169215600000000, 0.0000000000000000, 0.0163024300000000 ] - [ 0.0025023600000000, 0.0003794100000000, 0.0004398500000000 ] - [ 0.0025023600000000, -0.0003794100000000, 0.0004398500000000 ] - [ 0.0024996600000000, 0.0000000000000000, 0.0002840900000000 ] - [ 0.0024403900000000, 0.0000076000000000, 0.0002726300000000 ] - [ 0.0024403900000000, -0.0000076000000000, 0.0002726300000000 ] - [ 0.0072551000000000, 0.0005038400000000, -0.0034393800000000 ] - [ 0.0072551000000000, -0.0005038400000000, -0.0034393800000000 ] - [ 0.0056579300000000, 0.0000000000000000, -0.0034456800000000 ] - [ 0.0063666300000000, 0.0002161800000000, -0.0035656900000000 ] - [ 0.0063666300000000, -0.0002161800000000, -0.0035656900000000 ] - [ 0.0047517300000000, 0.0000000000000000, -0.0034895000000000 ] - [ 0.0048672300000000, -0.0002096100000000, -0.0026240700000000 ] - [ 0.0048672300000000, 0.0002096100000000, -0.0026240700000000 ] - [ 0.0049129500000000, 0.0000000000000000, -0.0025653000000000 ] - [ 0.0069918900000000, -0.0000490500000000, -0.0006854500000000 ] - [ 0.0069918900000000, 0.0000490500000000, -0.0006854500000000 ] - [ 0.0069463200000000, 0.0000000000000000, -0.0006954400000000 ] - [ 0.0008636300000000, -0.0008809300000000, -0.0044313900000000 ] - [ 0.0008636300000000, 0.0008809300000000, -0.0044313900000000 ] - [ 0.0045282200000000, 0.0000000000000000, -0.0042930200000000 ] - [ 0.0012782000000000, -0.0010128000000000, -0.0040263800000000 ] - [ 0.0012782000000000, 0.0010128000000000, -0.0040263800000000 ] - [ 0.0050700800000000, 0.0000000000000000, -0.0040948300000000 ] - [ 0.0067962000000000, -0.0002282400000000, 0.0044242400000000 ] - [ 0.0067962000000000, 0.0002282400000000, 0.0044242400000000 ] - [ 0.0068433500000000, 0.0000000000000000, 0.0043588300000000 ] - [ 0.0003632000000000, 0.0000326100000000, 0.0000924700000000 ] - [ 0.0003632000000000, -0.0000326100000000, 0.0000924700000000 ] - [ 0.0004006500000000, 0.0000000000000000, 0.0000912000000000 ] - [ 0.0001227100000000, -0.0005973100000000, -0.0006079400000000 ] - [ 0.0001227100000000, 0.0005973100000000, -0.0006079400000000 ] - [ -0.0002335900000000, 0.0000000000000000, -0.0000632200000000 ] - [ 0.0001068800000000, -0.0033499200000000, -0.0005285800000000 ] - [ 0.0001068800000000, 0.0033499200000000, -0.0005285800000000 ] - [ -0.0003362700000000, 0.0000000000000000, -0.0000955500000000 ] - [ -0.0002695500000000, 0.0007198100000000, 0.0006469800000000 ] - [ -0.0002695500000000, -0.0007198100000000, 0.0006469800000000 ] - [ -0.0001089700000000, 0.0000000000000000, 0.0000380800000000 ] - [ -0.0031970300000000, 0.0053522900000000, 0.0004064900000000 ] - [ -0.0031970300000000, -0.0053522900000000, 0.0004064900000000 ] - [ -0.0006597700000000, 0.0000000000000000, 0.0000778300000000 ] - [ 0.0003591300000000, -0.0006992800000000, 0.0008560000000000 ] - [ 0.0003591300000000, 0.0006992800000000, 0.0008560000000000 ] - [ 0.0001258600000000, 0.0000000000000000, 0.0001431800000000 ] - [ -0.0008174100000000, 0.0010150500000000, -0.0009217700000000 ] - [ -0.0008174100000000, -0.0010150500000000, -0.0009217700000000 ] - [ -0.0006641500000000, 0.0000000000000000, -0.0001763900000000 ] - [ -0.0090556900000000, 0.0000000000000000, -0.0041080400000000 ] - [ -0.0093207800000000, -0.0001710300000000, -0.0032904500000000 ] - [ -0.0093207800000000, 0.0001710300000000, -0.0032904500000000 ] - [ -0.0111455400000000, 0.0000000000000000, 0.0050475100000000 ] - [ -0.0111785700000000, -0.0000196600000000, 0.0051216900000000 ] - [ -0.0111785700000000, 0.0000196600000000, 0.0051216900000000 ] - [ -0.0034569800000000, 0.0000000000000000, 0.0084236600000000 ] - [ -0.0034614500000000, -0.0000609800000000, 0.0084491700000000 ] - [ -0.0034614500000000, 0.0000609800000000, 0.0084491700000000 ] - [ -0.0061275300000000, 0.0000000000000000, 0.0040911600000000 ] - [ -0.0060499700000000, 0.0000295400000000, 0.0047281900000000 ] - [ -0.0060499700000000, -0.0000295400000000, 0.0047281900000000 ] - [ 0.0091133300000000, 0.0000000000000000, 0.0041556600000000 ] - [ -0.0056778100000000, -0.0003888900000000, 0.0056457100000000 ] - [ -0.0056778100000000, 0.0003888900000000, 0.0056457100000000 ] - [ -0.0222331200000000, 0.0000000000000000, 0.0036459900000000 ] - [ -0.0082545700000000, 0.0003148700000000, 0.0045483400000000 ] - [ -0.0082545700000000, -0.0003148700000000, 0.0045483400000000 ] - [ -0.0066326700000000, 0.0000000000000000, 0.0044053100000000 ] - [ -0.0066698500000000, -0.0001232300000000, 0.0035838300000000 ] - [ -0.0066698500000000, 0.0001232300000000, 0.0035838300000000 ] - [ -0.0228615400000000, 0.0000000000000000, 0.0046005600000000 ] - [ -0.0075977800000000, 0.0001724500000000, 0.0048151200000000 ] - [ -0.0075977800000000, -0.0001724500000000, 0.0048151200000000 ] - [ -0.0090081900000000, 0.0000000000000000, 0.0026171600000000 ] - [ -0.0088410400000000, -0.0000518500000000, 0.0025913300000000 ] - [ -0.0088410400000000, 0.0000518500000000, 0.0025913300000000 ] - [ 0.0104923000000000, 0.0000000000000000, 0.0092847300000000 ] - [ -0.0063461500000000, -0.0004595300000000, 0.0054309500000000 ] - [ -0.0063461500000000, 0.0004595300000000, 0.0054309500000000 ]- atom: 46 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005643500000000, -0.0000062000000000, -0.0000415500000000 ] - [ -0.0005643500000000, 0.0000062000000000, -0.0000415500000000 ] - [ -0.0005480800000000, 0.0000000000000000, -0.0000443500000000 ] - [ -0.0001574600000000, -0.0000175800000000, 0.0000566900000000 ] - [ -0.0001574600000000, 0.0000175800000000, 0.0000566900000000 ] - [ -0.0001426600000000, 0.0000000000000000, 0.0000522900000000 ] - [ -0.0001356000000000, -0.0000187600000000, 0.0003269200000000 ] - [ -0.0001356000000000, 0.0000187600000000, 0.0003269200000000 ] - [ -0.0001454000000000, 0.0000000000000000, 0.0003157700000000 ] - [ 0.0044119500000000, -0.0000754700000000, -0.0037820800000000 ] - [ 0.0044119500000000, 0.0000754700000000, -0.0037820800000000 ] - [ 0.0044529200000000, 0.0000000000000000, -0.0037549900000000 ] - [ 0.0096331100000000, 0.0000216600000000, -0.0034650700000000 ] - [ 0.0096331100000000, -0.0000216600000000, -0.0034650700000000 ] - [ 0.0096347100000000, 0.0000000000000000, -0.0034612800000000 ] - [ 0.0013771600000000, 0.0000832400000000, -0.0072247100000000 ] - [ 0.0013771600000000, -0.0000832400000000, -0.0072247100000000 ] - [ 0.0013782500000000, 0.0000000000000000, -0.0072253700000000 ] - [ -0.0030847900000000, 0.0000000000000000, -0.0027787900000000 ] - [ -0.0007732400000000, 0.0000169100000000, -0.0015520800000000 ] - [ -0.0007732400000000, -0.0000169100000000, -0.0015520800000000 ] - [ 0.0021777500000000, 0.0000000000000000, 0.0000826000000000 ] - [ 0.0020261100000000, 0.0000239800000000, 0.0001795400000000 ] - [ 0.0020261100000000, -0.0000239800000000, 0.0001795400000000 ] - [ -0.0003886200000000, 0.0000000000000000, -0.0016837800000000 ] - [ -0.0003156000000000, -0.0000245300000000, -0.0020103900000000 ] - [ -0.0003156000000000, 0.0000245300000000, -0.0020103900000000 ] - [ 0.0014955700000000, 0.0000000000000000, -0.0000002900000000 ] - [ 0.0019043000000000, -0.0000708100000000, 0.0000805100000000 ] - [ 0.0019043000000000, 0.0000708100000000, 0.0000805100000000 ] - [ -0.0000874500000000, 0.0000000000000000, -0.0015252100000000 ] - [ -0.0000756400000000, 0.0000004700000000, -0.0014312700000000 ] - [ -0.0000756400000000, -0.0000004700000000, -0.0014312700000000 ] - [ -0.0121355500000000, 0.0000000000000000, -0.0156190900000000 ] - [ 0.0023647500000000, 0.0004990100000000, -0.0006703400000000 ] - [ 0.0023647500000000, -0.0004990100000000, -0.0006703400000000 ] - [ -0.0004253100000000, 0.0000000000000000, 0.0018534200000000 ] - [ 0.0004221100000000, -0.0000815900000000, -0.0012541400000000 ] - [ 0.0004221100000000, 0.0000815900000000, -0.0012541400000000 ] - [ -0.0031282200000000, 0.0000000000000000, -0.0019145300000000 ] - [ -0.0006587600000000, -0.0000310900000000, -0.0017599300000000 ] - [ -0.0006587600000000, 0.0000310900000000, -0.0017599300000000 ] - [ -0.0098611600000000, 0.0000000000000000, 0.0134940400000000 ] - [ 0.0025705800000000, 0.0002891100000000, 0.0009336400000000 ] - [ 0.0025705800000000, -0.0002891100000000, 0.0009336400000000 ] - [ 0.0542314100000000, 0.0000000000000000, 0.0054503700000000 ] - [ 0.0004563800000000, 0.0001157500000000, -0.0010418300000000 ] - [ 0.0004563800000000, -0.0001157500000000, -0.0010418300000000 ] - [ -0.0078703400000000, 0.0000000000000000, 0.0131253400000000 ] - [ 0.0025341200000000, -0.0003067800000000, 0.0007551300000000 ] - [ 0.0025341200000000, 0.0003067800000000, 0.0007551300000000 ] - [ -0.0038557100000000, 0.0000000000000000, -0.0009292800000000 ] - [ -0.0014364300000000, 0.0001785500000000, -0.0013964700000000 ] - [ -0.0014364300000000, -0.0001785500000000, -0.0013964700000000 ] - [ 0.0029152600000000, 0.0000000000000000, -0.0002359000000000 ] - [ 0.0029799900000000, 0.0000407600000000, -0.0002513200000000 ] - [ 0.0029799900000000, -0.0000407600000000, -0.0002513200000000 ] - [ -0.0011890000000000, 0.0000000000000000, -0.0034803800000000 ] - [ -0.0002232500000000, -0.0000801000000000, -0.0013702400000000 ] - [ -0.0002232500000000, 0.0000801000000000, -0.0013702400000000 ] - [ 0.0014961400000000, 0.0000000000000000, -0.0002171500000000 ] - [ 0.0014450700000000, -0.0000063100000000, -0.0001946800000000 ] - [ 0.0014450700000000, 0.0000063100000000, -0.0001946800000000 ] - [ 0.0004797900000000, 0.0000000000000000, -0.0008000200000000 ] - [ 0.0004317200000000, -0.0000260900000000, -0.0004849600000000 ] - [ 0.0004317200000000, 0.0000260900000000, -0.0004849600000000 ] - [ 0.0020673300000000, 0.0000000000000000, -0.0002536200000000 ] - [ 0.0023224000000000, -0.0000505700000000, -0.0001902500000000 ] - [ 0.0023224000000000, 0.0000505700000000, -0.0001902500000000 ] - [ -0.0001590700000000, 0.0000000000000000, -0.0021115800000000 ] - [ -0.0001316800000000, -0.0000071900000000, -0.0020581600000000 ] - [ -0.0001316800000000, 0.0000071900000000, -0.0020581600000000 ] - [ -0.0119654600000000, 0.0000000000000000, -0.0156824600000000 ] - [ 0.0023420700000000, -0.0003779600000000, -0.0000598400000000 ] - [ 0.0023420700000000, 0.0003779600000000, -0.0000598400000000 ] - [ 0.0023246400000000, 0.0000000000000000, 0.0002370700000000 ] - [ 0.0023847700000000, -0.0000077100000000, 0.0002492400000000 ] - [ 0.0023847700000000, 0.0000077100000000, 0.0002492400000000 ] - [ 0.0037983200000000, -0.0005238800000000, -0.0035056700000000 ] - [ 0.0037983200000000, 0.0005238800000000, -0.0035056700000000 ] - [ 0.0053948800000000, 0.0000000000000000, -0.0034918900000000 ] - [ 0.0029313000000000, -0.0002270900000000, -0.0032344400000000 ] - [ 0.0029313000000000, 0.0002270900000000, -0.0032344400000000 ] - [ 0.0045472400000000, 0.0000000000000000, -0.0033182800000000 ] - [ 0.0050264400000000, 0.0002169400000000, -0.0025330000000000 ] - [ 0.0050264400000000, -0.0002169400000000, -0.0025330000000000 ] - [ 0.0049810400000000, 0.0000000000000000, -0.0025937300000000 ] - [ 0.0068535200000000, 0.0000474100000000, -0.0006577300000000 ] - [ 0.0068535200000000, -0.0000474100000000, -0.0006577300000000 ] - [ 0.0068990800000000, 0.0000000000000000, -0.0006479900000000 ] - [ 0.0085739500000000, 0.0009684900000000, -0.0041783900000000 ] - [ 0.0085739500000000, -0.0009684900000000, -0.0041783900000000 ] - [ 0.0049128400000000, 0.0000000000000000, -0.0043743700000000 ] - [ 0.0091288400000000, 0.0011443500000000, -0.0040393600000000 ] - [ 0.0091288400000000, -0.0011443500000000, -0.0040393600000000 ] - [ 0.0053368100000000, 0.0000000000000000, -0.0039024200000000 ] - [ 0.0069592800000000, 0.0002394800000000, 0.0043029500000000 ] - [ 0.0069592800000000, -0.0002394800000000, 0.0043029500000000 ] - [ 0.0069120600000000, 0.0000000000000000, 0.0043715500000000 ] - [ 0.0005026300000000, -0.0000334700000000, 0.0001259300000000 ] - [ 0.0005026300000000, 0.0000334700000000, 0.0001259300000000 ] - [ 0.0004639600000000, 0.0000000000000000, 0.0001271200000000 ] - [ -0.0007463700000000, 0.0005992400000000, 0.0007926800000000 ] - [ -0.0007463700000000, -0.0005992400000000, 0.0007926800000000 ] - [ -0.0003760900000000, 0.0000000000000000, 0.0002453100000000 ] - [ -0.0010759100000000, 0.0031897500000000, 0.0001788900000000 ] - [ -0.0010759100000000, -0.0031897500000000, 0.0001788900000000 ] - [ -0.0004641600000000, 0.0000000000000000, -0.0002460300000000 ] - [ 0.0002142500000000, -0.0007129200000000, -0.0005420700000000 ] - [ 0.0002142500000000, 0.0007129200000000, -0.0005420700000000 ] - [ 0.0000418700000000, 0.0000000000000000, 0.0000618100000000 ] - [ 0.0021461500000000, -0.0054204500000000, -0.0003406000000000 ] - [ 0.0021461500000000, 0.0054204500000000, -0.0003406000000000 ] - [ -0.0004947500000000, 0.0000000000000000, -0.0000030000000000 ] - [ -0.0001982000000000, 0.0006979600000000, -0.0008013800000000 ] - [ -0.0001982000000000, -0.0006979600000000, -0.0008013800000000 ] - [ 0.0000500000000000, 0.0000000000000000, -0.0000893500000000 ] - [ -0.0003760600000000, -0.0010158900000000, 0.0005941700000000 ] - [ -0.0003760600000000, 0.0010158900000000, 0.0005941700000000 ] - [ -0.0005446100000000, 0.0000000000000000, -0.0001506500000000 ] - [ -0.0098345700000000, 0.0000000000000000, -0.0024455300000000 ] - [ -0.0095543000000000, 0.0001792500000000, -0.0033165900000000 ] - [ -0.0095543000000000, -0.0001792500000000, -0.0033165900000000 ] - [ -0.0112198600000000, 0.0000000000000000, 0.0053307800000000 ] - [ -0.0111846500000000, 0.0000203300000000, 0.0052536000000000 ] - [ -0.0111846500000000, -0.0000203300000000, 0.0052536000000000 ] - [ -0.0034710500000000, 0.0000000000000000, 0.0085720700000000 ] - [ -0.0034630300000000, 0.0000630300000000, 0.0085419300000000 ] - [ -0.0034630300000000, -0.0000630300000000, 0.0085419300000000 ] - [ -0.0058175500000000, 0.0000000000000000, 0.0057776600000000 ] - [ -0.0058862000000000, -0.0000337900000000, 0.0051140900000000 ] - [ -0.0058862000000000, 0.0000337900000000, 0.0051140900000000 ] - [ -0.0219497300000000, 0.0000000000000000, 0.0075911400000000 ] - [ -0.0071128300000000, 0.0004190800000000, 0.0058836900000000 ] - [ -0.0071128300000000, -0.0004190800000000, 0.0058836900000000 ] - [ 0.0071950500000000, 0.0000000000000000, 0.0059569000000000 ] - [ -0.0067876800000000, -0.0003337100000000, 0.0050172800000000 ] - [ -0.0067876800000000, 0.0003337100000000, 0.0050172800000000 ] - [ -0.0068742000000000, 0.0000000000000000, 0.0028361600000000 ] - [ -0.0068424900000000, 0.0001296900000000, 0.0036924200000000 ] - [ -0.0068424900000000, -0.0001296900000000, 0.0036924200000000 ] - [ 0.0089359800000000, 0.0000000000000000, 0.0043106300000000 ] - [ -0.0063108900000000, -0.0001873700000000, 0.0041177800000000 ] - [ -0.0063108900000000, 0.0001873700000000, 0.0041177800000000 ] - [ -0.0085231700000000, 0.0000000000000000, 0.0023633100000000 ] - [ -0.0086833200000000, 0.0000520000000000, 0.0024107900000000 ] - [ -0.0086833200000000, -0.0000520000000000, 0.0024107900000000 ] - [ -0.0245605900000000, 0.0000000000000000, 0.0006780400000000 ] - [ -0.0076510300000000, 0.0005188400000000, 0.0048546500000000 ] - [ -0.0076510300000000, -0.0005188400000000, 0.0048546500000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005466900000000, 0.0000489400000000, -0.0001085500000000 ] - [ -0.0005239500000000, 0.0000511200000000, -0.0000205500000000 ] - [ -0.0005350800000000, -0.0000985500000000, -0.0000647900000000 ] - [ -0.0001476900000000, 0.0000512800000000, 0.0000985300000000 ] - [ -0.0001184700000000, 0.0000540000000000, 0.0000188800000000 ] - [ -0.0001327800000000, -0.0001062700000000, 0.0000583300000000 ] - [ -0.0001437000000000, 0.0000527700000000, 0.0003515400000000 ] - [ -0.0001668500000000, 0.0000553300000000, 0.0002693500000000 ] - [ -0.0001556600000000, -0.0001051500000000, 0.0003096700000000 ] - [ 0.0044717500000000, -0.0002893800000000, -0.0034873200000000 ] - [ 0.0045026500000000, -0.0002975700000000, -0.0039141600000000 ] - [ 0.0044876200000000, 0.0005877600000000, -0.0037016800000000 ] - [ 0.0096288900000000, -0.0001193600000000, -0.0034390900000000 ] - [ 0.0096437800000000, -0.0001249100000000, -0.0034506700000000 ] - [ 0.0096365700000000, 0.0002445400000000, -0.0034450400000000 ] - [ 0.0013806300000000, -0.0001175500000000, -0.0072104500000000 ] - [ 0.0013774800000000, -0.0001258100000000, -0.0072209300000000 ] - [ 0.0013790200000000, 0.0003468600000000, -0.0072157300000000 ] - [ -0.0006455000000000, -0.0004571100000000, -0.0012938600000000 ] - [ -0.0006561900000000, 0.0002856300000000, -0.0021293600000000 ] - [ -0.0006373700000000, 0.0002891500000000, -0.0004866600000000 ] - [ 0.0019762900000000, -0.0002885800000000, 0.0002599200000000 ] - [ 0.0018151100000000, 0.0001197000000000, 0.0000317200000000 ] - [ 0.0021220400000000, 0.0001226000000000, 0.0004777100000000 ] - [ -0.0003180700000000, 0.0000288700000000, -0.0019723900000000 ] - [ -0.0003051600000000, 0.0001385600000000, -0.0023085700000000 ] - [ -0.0003325700000000, 0.0001407800000000, -0.0016560100000000 ] - [ 0.0019428000000000, -0.0003134500000000, 0.0000573900000000 ] - [ 0.0020932300000000, 0.0001467700000000, -0.0001860300000000 ] - [ 0.0018030600000000, 0.0001501000000000, 0.0002921000000000 ] - [ -0.0000498400000000, -0.0001094500000000, -0.0013284500000000 ] - [ -0.0000724500000000, 0.0000554800000000, -0.0015177100000000 ] - [ -0.0000276600000000, 0.0000571300000000, -0.0011427300000000 ] - [ 0.0023312600000000, -0.0048729400000000, -0.0000556900000000 ] - [ 0.0012850400000000, 0.0012384400000000, -0.0007835900000000 ] - [ 0.0032662200000000, 0.0012362200000000, 0.0005923700000000 ] - [ 0.0003525300000000, 0.0008780200000000, -0.0011602000000000 ] - [ 0.0001813100000000, 0.0016141100000000, -0.0040129900000000 ] - [ 0.0005040600000000, 0.0016050500000000, 0.0015057700000000 ] - [ -0.0005077900000000, -0.0004769300000000, -0.0019575800000000 ] - [ -0.0005011700000000, 0.0002974100000000, -0.0011271800000000 ] - [ -0.0005100700000000, 0.0003023300000000, -0.0027501300000000 ] - [ 0.0025353200000000, -0.0041322900000000, 0.0005073900000000 ] - [ 0.0015022000000000, 0.0011244700000000, 0.0011638100000000 ] - [ 0.0034587400000000, 0.0011262000000000, -0.0000754600000000 ] - [ -0.0003441600000000, -0.0543160800000000, -0.0010154000000000 ] - [ -0.0003588600000000, 0.0024444400000000, -0.0013342000000000 ] - [ -0.0005932400000000, 0.0024401700000000, -0.0009728000000000 ] - [ 0.0025701400000000, -0.0041726800000000, 0.0004667800000000 ] - [ 0.0035216200000000, 0.0011491300000000, -0.0000832300000000 ] - [ 0.0016981100000000, 0.0011482500000000, 0.0009619600000000 ] - [ 0.0001293800000000, -0.0023258700000000, -0.0015009300000000 ] - [ -0.0000415600000000, 0.0018488200000000, -0.0012494800000000 ] - [ 0.0003018500000000, 0.0018312900000000, -0.0017613100000000 ] - [ 0.0029404100000000, -0.0003430800000000, -0.0003544700000000 ] - [ 0.0027590000000000, 0.0001545200000000, -0.0001220600000000 ] - [ 0.0031105800000000, 0.0001586500000000, -0.0005769000000000 ] - [ -0.0002810900000000, 0.0007927800000000, -0.0014960100000000 ] - [ -0.0001955100000000, 0.0016040600000000, 0.0012277000000000 ] - [ -0.0003669300000000, 0.0016000400000000, -0.0040276700000000 ] - [ 0.0014168600000000, -0.0000483200000000, -0.0001830300000000 ] - [ 0.0013937100000000, 0.0000199100000000, -0.0001833300000000 ] - [ 0.0014373300000000, 0.0000209000000000, -0.0001821700000000 ] - [ 0.0004229200000000, 0.0000616500000000, -0.0004687800000000 ] - [ 0.0003513900000000, 0.0001445600000000, -0.0000306300000000 ] - [ 0.0004848500000000, 0.0001466600000000, -0.0008768600000000 ] - [ 0.0023449400000000, -0.0002303100000000, -0.0001700300000000 ] - [ 0.0025090700000000, 0.0001007900000000, 0.0000519100000000 ] - [ 0.0021904900000000, 0.0001042000000000, -0.0003815600000000 ] - [ -0.0001253000000000, -0.0000926200000000, -0.0020666500000000 ] - [ -0.0001237300000000, 0.0000474400000000, -0.0018585300000000 ] - [ -0.0001267900000000, 0.0000489000000000, -0.0022667200000000 ] - [ 0.0023627700000000, -0.0050972900000000, 0.0001501600000000 ] - [ 0.0034748000000000, 0.0011709500000000, 0.0007428200000000 ] - [ 0.0013918500000000, 0.0011725600000000, -0.0003620500000000 ] - [ 0.0024127700000000, -0.0000524600000000, 0.0002606200000000 ] - [ 0.0024352000000000, 0.0000255300000000, 0.0002638900000000 ] - [ 0.0023917200000000, 0.0000266000000000, 0.0002579800000000 ] - [ 0.0055114000000000, -0.0011525700000000, -0.0024165400000000 ] - [ 0.0055421800000000, -0.0011767500000000, -0.0045319000000000 ] - [ 0.0055272900000000, 0.0022280600000000, -0.0034694800000000 ] - [ 0.0046986400000000, -0.0011866000000000, -0.0042273900000000 ] - [ 0.0045995800000000, -0.0012170100000000, -0.0025724800000000 ] - [ 0.0046503600000000, 0.0023570400000000, -0.0034037600000000 ] - [ 0.0048892300000000, -0.0003796900000000, -0.0022039900000000 ] - [ 0.0050044300000000, -0.0004021100000000, -0.0029561500000000 ] - [ 0.0049473600000000, 0.0013191100000000, -0.0025846400000000 ] - [ 0.0069105400000000, -0.0003208200000000, -0.0008832500000000 ] - [ 0.0069343500000000, -0.0003329700000000, -0.0004618900000000 ] - [ 0.0069227400000000, 0.0006604100000000, -0.0006712200000000 ] - [ 0.0043498200000000, 0.0107413000000000, 0.0100192600000000 ] - [ 0.0050950600000000, 0.0108451400000000, -0.0189134500000000 ] - [ 0.0047194800000000, 0.0045461400000000, -0.0043406400000000 ] - [ 0.0049493800000000, 0.0112293600000000, -0.0184282600000000 ] - [ 0.0054605500000000, 0.0112898600000000, 0.0106294900000000 ] - [ 0.0052023700000000, 0.0045627200000000, -0.0039945500000000 ] - [ 0.0068708900000000, -0.0004487900000000, 0.0040517000000000 ] - [ 0.0068842500000000, -0.0004749000000000, 0.0046776100000000 ] - [ 0.0068773300000000, 0.0014240100000000, 0.0043696400000000 ] - [ 0.0004620300000000, 0.0001132000000000, 0.0000195900000000 ] - [ 0.0004020800000000, 0.0001185800000000, 0.0001967300000000 ] - [ 0.0004311200000000, -0.0002335300000000, 0.0001094000000000 ] - [ -0.0011528300000000, 0.0005882700000000, -0.0008977300000000 ] - [ 0.0005488900000000, 0.0006104700000000, 0.0010821000000000 ] - [ -0.0003000000000000, -0.0010118800000000, 0.0000925100000000 ] - [ -0.0037706100000000, 0.0012814800000000, -0.0005506600000000 ] - [ 0.0027958300000000, 0.0014879100000000, 0.0002002200000000 ] - [ -0.0003954100000000, -0.0019698600000000, -0.0001703800000000 ] - [ 0.0007168000000000, 0.0005640500000000, -0.0009012700000000 ] - [ -0.0007899700000000, 0.0005829900000000, 0.0010032900000000 ] - [ -0.0000379000000000, -0.0009719000000000, 0.0000518300000000 ] - [ 0.0049759400000000, -0.0013242100000000, -0.0002772900000000 ] - [ -0.0060749600000000, -0.0012236100000000, 0.0003470900000000 ] - [ -0.0005820900000000, -0.0019555900000000, 0.0000376100000000 ] - [ -0.0008550400000000, 0.0005361000000000, 0.0011941900000000 ] - [ 0.0010337100000000, 0.0005587400000000, -0.0011397200000000 ] - [ 0.0000918500000000, -0.0009531000000000, 0.0000250500000000 ] - [ 0.0003370800000000, 0.0005927700000000, 0.0007884400000000 ] - [ -0.0015486700000000, 0.0006185700000000, -0.0011135800000000 ] - [ -0.0006087900000000, -0.0010241500000000, -0.0001653300000000 ] - [ -0.0094446100000000, 0.0010310600000000, -0.0032729400000000 ] - [ -0.0092377200000000, -0.0007687500000000, -0.0052899800000000 ] - [ -0.0096335300000000, -0.0007891600000000, -0.0013466600000000 ] - [ -0.0111822300000000, 0.0002172800000000, 0.0051895300000000 ] - [ -0.0111684600000000, -0.0001061400000000, 0.0051667700000000 ] - [ -0.0111946500000000, -0.0001113100000000, 0.0052089600000000 ] - [ -0.0034637400000000, 0.0001202500000000, 0.0084975600000000 ] - [ -0.0034693900000000, -0.0001829900000000, 0.0084432500000000 ] - [ -0.0034552100000000, -0.0001897300000000, 0.0085469400000000 ] - [ -0.0059719500000000, 0.0006388400000000, 0.0049107500000000 ] - [ -0.0058899600000000, -0.0003186600000000, 0.0054947800000000 ] - [ -0.0060450800000000, -0.0003240500000000, 0.0043477100000000 ] - [ -0.0064166900000000, 0.0164919900000000, 0.0058830000000000 ] - [ -0.0065385000000000, -0.0091302900000000, 0.0077997200000000 ] - [ -0.0062542700000000, -0.0090787400000000, 0.0037598100000000 ] - [ -0.0075310100000000, 0.0031278800000000, 0.0047739500000000 ] - [ -0.0072278800000000, -0.0015156000000000, 0.0062193500000000 ] - [ -0.0078144100000000, -0.0015250400000000, 0.0033478600000000 ] - [ -0.0067529300000000, 0.0009584000000000, 0.0036137500000000 ] - [ -0.0068944900000000, -0.0006705300000000, 0.0054460500000000 ] - [ -0.0066204400000000, -0.0006883400000000, 0.0018585700000000 ] - [ -0.0069530500000000, 0.0030686100000000, 0.0044695000000000 ] - [ -0.0068488900000000, -0.0014740000000000, 0.0028146000000000 ] - [ -0.0070611200000000, -0.0014869600000000, 0.0061171300000000 ] - [ -0.0087613200000000, 0.0007128000000000, 0.0025130100000000 ] - [ -0.0087764000000000, -0.0003532900000000, 0.0018843200000000 ] - [ -0.0087470800000000, -0.0003638000000000, 0.0031156600000000 ] - [ -0.0070029600000000, 0.0189290900000000, 0.0049589100000000 ] - [ -0.0074000900000000, -0.0096688900000000, 0.0038780900000000 ] - [ -0.0066057800000000, -0.0096446000000000, 0.0063998700000000 ]- atom: 46 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0006326600000000, -0.0002297700000000, -0.0012794900000000 ] - [ -0.0006326600000000, 0.0002297700000000, -0.0012794900000000 ] - [ -0.0005942700000000, 0.0000000000000000, -0.0009835400000000 ] - [ 0.0000629700000000, 0.0002853300000000, -0.0010767000000000 ] - [ 0.0000629700000000, -0.0002853300000000, -0.0010767000000000 ] - [ -0.0000163700000000, 0.0000000000000000, -0.0008175900000000 ] - [ -0.0003190100000000, 0.0002754500000000, -0.0009715300000000 ] - [ -0.0003190100000000, -0.0002754500000000, -0.0009715300000000 ] - [ -0.0002507400000000, 0.0000000000000000, -0.0006820700000000 ] - [ 0.0045264600000000, 0.0016011800000000, -0.0022501500000000 ] - [ 0.0045264600000000, -0.0016011800000000, -0.0022501500000000 ] - [ 0.0045857900000000, 0.0000000000000000, -0.0029962200000000 ] - [ 0.0094053200000000, -0.0000676200000000, -0.0019217900000000 ] - [ 0.0094053200000000, 0.0000676200000000, -0.0019217900000000 ] - [ 0.0094427100000000, 0.0000000000000000, -0.0021407100000000 ] - [ 0.0016445300000000, -0.0000835600000000, -0.0053588400000000 ] - [ 0.0016445300000000, 0.0000835600000000, -0.0053588400000000 ] - [ 0.0016022200000000, 0.0000000000000000, -0.0056549500000000 ] - [ -0.0008670600000000, 0.0000000000000000, 0.0030389500000000 ] - [ -0.0007152900000000, -0.0008071100000000, -0.0019033100000000 ] - [ -0.0007152900000000, 0.0008071100000000, -0.0019033100000000 ] - [ 0.0040381800000000, 0.0000000000000000, 0.0031136900000000 ] - [ 0.0026088900000000, -0.0005345500000000, 0.0011161000000000 ] - [ 0.0026088900000000, 0.0005345500000000, 0.0011161000000000 ] - [ -0.0002363700000000, 0.0000000000000000, 0.0077133300000000 ] - [ -0.0002279400000000, -0.0003001000000000, 0.0031944600000000 ] - [ -0.0002279400000000, 0.0003001000000000, 0.0031944600000000 ] - [ 0.0003734000000000, 0.0000000000000000, 0.0030808800000000 ] - [ 0.0015271700000000, -0.0006893400000000, 0.0011906600000000 ] - [ 0.0015271700000000, 0.0006893400000000, 0.0011906600000000 ] - [ -0.0001443700000000, 0.0000000000000000, 0.0049969800000000 ] - [ -0.0001752700000000, -0.0001920500000000, 0.0028309400000000 ] - [ -0.0001752700000000, 0.0001920500000000, 0.0028309400000000 ] - [ 0.0283169300000000, 0.0000000000000000, 0.0098176500000000 ] - [ 0.0037119500000000, -0.0015718400000000, -0.0022222800000000 ] - [ 0.0037119500000000, 0.0015718400000000, -0.0022222800000000 ] - [ 0.0042766900000000, 0.0000000000000000, 0.0324673200000000 ] - [ 0.0003225800000000, -0.0027178400000000, 0.0007773500000000 ] - [ 0.0003225800000000, 0.0027178400000000, 0.0007773500000000 ] - [ 0.0008946700000000, 0.0000000000000000, 0.0029024400000000 ] - [ -0.0001146900000000, 0.0009108900000000, -0.0023942000000000 ] - [ -0.0001146900000000, -0.0009108900000000, -0.0023942000000000 ] - [ -0.0208841200000000, 0.0000000000000000, 0.0083032500000000 ] - [ 0.0007076100000000, 0.0016745900000000, -0.0012831600000000 ] - [ 0.0007076100000000, -0.0016745900000000, -0.0012831600000000 ] - [ -0.0072958800000000, 0.0000000000000000, -0.2253098500000000 ] - [ -0.0005877300000000, 0.0001735500000000, -0.0144778200000000 ] - [ -0.0005877300000000, -0.0001735500000000, -0.0144778200000000 ] - [ -0.0209900000000000, 0.0000000000000000, 0.0092092000000000 ] - [ 0.0007252600000000, -0.0016869500000000, -0.0016602700000000 ] - [ 0.0007252600000000, 0.0016869500000000, -0.0016602700000000 ] - [ 0.0008927000000000, 0.0000000000000000, -0.0212768900000000 ] - [ 0.0001171900000000, -0.0002734800000000, -0.0091099100000000 ] - [ 0.0001171900000000, 0.0002734800000000, -0.0091099100000000 ] - [ 0.0008772500000000, 0.0000000000000000, 0.0025017800000000 ] - [ 0.0023420600000000, 0.0006724300000000, 0.0006837600000000 ] - [ 0.0023420600000000, -0.0006724300000000, 0.0006837600000000 ] - [ -0.0004066400000000, 0.0000000000000000, 0.0318004500000000 ] - [ -0.0002422900000000, 0.0026785200000000, 0.0008731200000000 ] - [ -0.0002422900000000, -0.0026785200000000, 0.0008731200000000 ] - [ 0.0015257200000000, 0.0000000000000000, 0.0018086800000000 ] - [ 0.0015628500000000, -0.0000053500000000, 0.0011071300000000 ] - [ 0.0015628500000000, 0.0000053500000000, 0.0011071300000000 ] - [ -0.0004006700000000, 0.0000000000000000, 0.0109734700000000 ] - [ 0.0003968400000000, 0.0003281700000000, 0.0052403600000000 ] - [ 0.0003968400000000, -0.0003281700000000, 0.0052403600000000 ] - [ 0.0041523500000000, 0.0000000000000000, 0.0025926600000000 ] - [ 0.0028320000000000, 0.0005163300000000, 0.0008065300000000 ] - [ 0.0028320000000000, -0.0005163300000000, 0.0008065300000000 ] - [ -0.0001420200000000, 0.0000000000000000, 0.0048769000000000 ] - [ -0.0002001400000000, 0.0001650400000000, 0.0025936300000000 ] - [ -0.0002001400000000, -0.0001650400000000, 0.0025936300000000 ] - [ 0.0335522000000000, 0.0000000000000000, 0.0079969600000000 ] - [ 0.0043052200000000, 0.0016499000000000, -0.0018940000000000 ] - [ 0.0043052200000000, -0.0016499000000000, -0.0018940000000000 ] - [ 0.0023865800000000, 0.0000000000000000, 0.0023366400000000 ] - [ 0.0023437300000000, 0.0000065200000000, 0.0016520100000000 ] - [ 0.0023437300000000, -0.0000065200000000, 0.0016520100000000 ] - [ 0.0052364100000000, 0.0043143500000000, -0.0060979800000000 ] - [ 0.0052364100000000, -0.0043143500000000, -0.0060979800000000 ] - [ 0.0054668200000000, 0.0000000000000000, -0.0052981800000000 ] - [ 0.0051205000000000, -0.0045135200000000, -0.0059077300000000 ] - [ 0.0051205000000000, 0.0045135200000000, -0.0059077300000000 ] - [ 0.0046981700000000, 0.0000000000000000, -0.0049959500000000 ] - [ 0.0047143800000000, 0.0031029300000000, -0.0000255800000000 ] - [ 0.0047143800000000, -0.0031029300000000, -0.0000255800000000 ] - [ 0.0048802900000000, 0.0000000000000000, -0.0011606800000000 ] - [ 0.0070603600000000, -0.0018573300000000, 0.0007659100000000 ] - [ 0.0070603600000000, 0.0018573300000000, 0.0007659100000000 ] - [ 0.0069524900000000, 0.0000000000000000, 0.0000749400000000 ] - [ 0.0049872900000000, 0.0284442800000000, 0.0054507400000000 ] - [ 0.0049872900000000, -0.0284442800000000, 0.0054507400000000 ] - [ 0.0050571900000000, 0.0000000000000000, -0.0068235100000000 ] - [ 0.0045554700000000, -0.0306187200000000, 0.0041886600000000 ] - [ 0.0045554700000000, 0.0306187200000000, 0.0041886600000000 ] - [ 0.0048280300000000, 0.0000000000000000, -0.0057228000000000 ] - [ 0.0066639900000000, -0.0034464000000000, 0.0067706600000000 ] - [ 0.0066639900000000, 0.0034464000000000, 0.0067706600000000 ] - [ 0.0066728600000000, 0.0000000000000000, 0.0056919600000000 ] - [ 0.0006985800000000, -0.0005712100000000, -0.0023251200000000 ] - [ 0.0006985800000000, 0.0005712100000000, -0.0023251200000000 ] - [ 0.0005941100000000, 0.0000000000000000, -0.0017230800000000 ] - [ -0.0027365100000000, -0.0032178200000000, -0.0019166500000000 ] - [ -0.0027365100000000, 0.0032178200000000, -0.0019166500000000 ] - [ -0.0009431900000000, 0.0000000000000000, 0.0001544600000000 ] - [ -0.0018646300000000, -0.0016114800000000, 0.0123594000000000 ] - [ -0.0018646300000000, 0.0016114800000000, 0.0123594000000000 ] - [ -0.0002157700000000, 0.0000000000000000, 0.0037804200000000 ] - [ 0.0021969000000000, -0.0034682400000000, -0.0023934300000000 ] - [ 0.0021969000000000, 0.0034682400000000, -0.0023934300000000 ] - [ 0.0005310800000000, 0.0000000000000000, 0.0000237800000000 ] - [ 0.0011379400000000, -0.0012703000000000, 0.0129275100000000 ] - [ 0.0011379400000000, 0.0012703000000000, 0.0129275100000000 ] - [ -0.0007189400000000, 0.0000000000000000, 0.0042795000000000 ] - [ 0.0025791900000000, 0.0031677400000000, -0.0020926100000000 ] - [ 0.0025791900000000, -0.0031677400000000, -0.0020926100000000 ] - [ 0.0006070500000000, 0.0000000000000000, 0.0001451700000000 ] - [ -0.0033806200000000, 0.0039544400000000, -0.0025691300000000 ] - [ -0.0033806200000000, -0.0039544400000000, -0.0025691300000000 ] - [ -0.0011962800000000, 0.0000000000000000, -0.0000744300000000 ] - [ -0.0067467900000000, 0.0000000000000000, -0.0224199400000000 ] - [ -0.0088528400000000, -0.0028087000000000, -0.0093084300000000 ] - [ -0.0088528400000000, 0.0028087000000000, -0.0093084300000000 ] - [ -0.0103399800000000, 0.0000000000000000, -0.0039379100000000 ] - [ -0.0105905500000000, -0.0000334500000000, -0.0012897500000000 ] - [ -0.0105905500000000, 0.0000334500000000, -0.0012897500000000 ] - [ -0.0049569600000000, 0.0000000000000000, -0.0033860100000000 ] - [ -0.0044230000000000, -0.0000616300000000, 0.0008707000000000 ] - [ -0.0044230000000000, 0.0000616300000000, 0.0008707000000000 ] - [ -0.0070146500000000, 0.0000000000000000, -0.0021953400000000 ] - [ -0.0064041200000000, 0.0014466400000000, 0.0021672300000000 ] - [ -0.0064041200000000, -0.0014466400000000, 0.0021672300000000 ] - [ -0.0137107900000000, 0.0000000000000000, 0.0077469300000000 ] - [ -0.0062028100000000, 0.0148905500000000, 0.0135640000000000 ] - [ -0.0062028100000000, -0.0148905500000000, 0.0135640000000000 ] - [ -0.0092525400000000, 0.0000000000000000, 0.0153288200000000 ] - [ -0.0073502200000000, 0.0030223200000000, 0.0103087600000000 ] - [ -0.0073502200000000, -0.0030223200000000, 0.0103087600000000 ] - [ -0.0053861000000000, 0.0000000000000000, -0.0131986400000000 ] - [ -0.0064164200000000, 0.0023281000000000, -0.0012925600000000 ] - [ -0.0064164200000000, -0.0023281000000000, -0.0012925600000000 ] - [ -0.0089174600000000, 0.0000000000000000, 0.0162216600000000 ] - [ -0.0069064600000000, -0.0030601900000000, 0.0107535400000000 ] - [ -0.0069064600000000, 0.0030601900000000, 0.0107535400000000 ] - [ -0.0091592700000000, 0.0000000000000000, -0.0054414400000000 ] - [ -0.0088598200000000, -0.0016587600000000, -0.0007100600000000 ] - [ -0.0088598200000000, 0.0016587600000000, -0.0007100600000000 ] - [ -0.0057639300000000, 0.0000000000000000, 0.0689095700000000 ] - [ -0.0072178100000000, -0.0156428200000000, 0.0137149600000000 ] - [ -0.0072178100000000, 0.0156428200000000, 0.0137149600000000 ]- atom: 46 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0004361800000000, 0.0002328100000000, 0.0011488600000000 ] - [ -0.0004361800000000, -0.0002328100000000, 0.0011488600000000 ] - [ -0.0004752600000000, 0.0000000000000000, 0.0008531200000000 ] - [ -0.0003260000000000, -0.0002829600000000, 0.0011960000000000 ] - [ -0.0003260000000000, 0.0002829600000000, 0.0011960000000000 ] - [ -0.0002482200000000, 0.0000000000000000, 0.0009380400000000 ] - [ 0.0000053500000000, -0.0002728800000000, 0.0015956300000000 ] - [ 0.0000053500000000, 0.0002728800000000, 0.0015956300000000 ] - [ -0.0000615300000000, 0.0000000000000000, 0.0013061600000000 ] - [ 0.0044495700000000, -0.0016168800000000, -0.0051475400000000 ] - [ 0.0044495700000000, 0.0016168800000000, -0.0051475400000000 ] - [ 0.0043895800000000, 0.0000000000000000, -0.0043983300000000 ] - [ 0.0098681300000000, 0.0000611800000000, -0.0049712700000000 ] - [ 0.0098681300000000, -0.0000611800000000, -0.0049712700000000 ] - [ 0.0098305000000000, 0.0000000000000000, -0.0047517700000000 ] - [ 0.0011134000000000, 0.0000738300000000, -0.0090755400000000 ] - [ 0.0011134000000000, -0.0000738300000000, -0.0090755400000000 ] - [ 0.0011554200000000, 0.0000000000000000, -0.0087792400000000 ] - [ -0.0004051800000000, 0.0000000000000000, -0.0056306600000000 ] - [ -0.0005771000000000, 0.0008106000000000, -0.0006653300000000 ] - [ -0.0005771000000000, -0.0008106000000000, -0.0006653300000000 ] - [ -0.0001221400000000, 0.0000000000000000, -0.0026171900000000 ] - [ 0.0013246100000000, 0.0005389500000000, -0.0006003200000000 ] - [ 0.0013246100000000, -0.0005389500000000, -0.0006003200000000 ] - [ -0.0004006300000000, 0.0000000000000000, -0.0117169800000000 ] - [ -0.0004098700000000, 0.0003049900000000, -0.0071611700000000 ] - [ -0.0004098700000000, -0.0003049900000000, -0.0071611700000000 ] - [ 0.0035535500000000, 0.0000000000000000, -0.0029887800000000 ] - [ 0.0023744200000000, 0.0006952900000000, -0.0010781800000000 ] - [ 0.0023744200000000, -0.0006952900000000, -0.0010781800000000 ] - [ 0.0000486500000000, 0.0000000000000000, -0.0076692100000000 ] - [ 0.0000775900000000, 0.0001945300000000, -0.0054891800000000 ] - [ 0.0000775900000000, -0.0001945300000000, -0.0054891800000000 ] - [ -0.0239637100000000, 0.0000000000000000, -0.0099636900000000 ] - [ 0.0008362700000000, 0.0015618700000000, 0.0020683900000000 ] - [ 0.0008362700000000, -0.0015618700000000, 0.0020683900000000 ] - [ -0.0036532700000000, 0.0000000000000000, -0.0354567400000000 ] - [ 0.0003630300000000, 0.0027322800000000, -0.0032358100000000 ] - [ 0.0003630300000000, -0.0027322800000000, -0.0032358100000000 ] - [ -0.0018932400000000, 0.0000000000000000, -0.0068308900000000 ] - [ -0.0008947000000000, -0.0009103500000000, -0.0015281400000000 ] - [ -0.0008947000000000, 0.0009103500000000, -0.0015281400000000 ] - [ 0.0257260800000000, 0.0000000000000000, -0.0073132900000000 ] - [ 0.0042532500000000, -0.0016856900000000, 0.0023439200000000 ] - [ 0.0042532500000000, 0.0016856900000000, 0.0023439200000000 ] - [ 0.0055635900000000, 0.0000000000000000, 0.2202724100000000 ] - [ -0.0003746200000000, -0.0001873100000000, 0.0121791700000000 ] - [ -0.0003746200000000, 0.0001873100000000, 0.0121791700000000 ] - [ 0.0265840700000000, 0.0000000000000000, -0.0082944800000000 ] - [ 0.0045078200000000, 0.0016829000000000, 0.0025696400000000 ] - [ 0.0045078200000000, -0.0016829000000000, 0.0025696400000000 ] - [ -0.0005962600000000, 0.0000000000000000, 0.0182648600000000 ] - [ 0.0001512600000000, 0.0002331000000000, 0.0060955400000000 ] - [ 0.0001512600000000, -0.0002331000000000, 0.0060955400000000 ] - [ 0.0049678400000000, 0.0000000000000000, -0.0032036700000000 ] - [ 0.0035255000000000, -0.0006705500000000, -0.0013952100000000 ] - [ 0.0035255000000000, 0.0006705500000000, -0.0013952100000000 ] - [ -0.0001480900000000, 0.0000000000000000, -0.0342173500000000 ] - [ -0.0003224500000000, -0.0026784800000000, -0.0037322300000000 ] - [ -0.0003224500000000, 0.0026784800000000, -0.0037322300000000 ] - [ 0.0012995700000000, 0.0000000000000000, -0.0021774400000000 ] - [ 0.0012657200000000, 0.0000064900000000, -0.0014745100000000 ] - [ 0.0012657200000000, -0.0000064900000000, -0.0014745100000000 ] - [ 0.0012248700000000, 0.0000000000000000, -0.0118657800000000 ] - [ 0.0004397700000000, -0.0003244900000000, -0.0061678100000000 ] - [ 0.0004397700000000, 0.0003244900000000, -0.0061678100000000 ] - [ 0.0005711900000000, 0.0000000000000000, -0.0029204800000000 ] - [ 0.0018694100000000, -0.0005135700000000, -0.0011460400000000 ] - [ 0.0018694100000000, 0.0005135700000000, -0.0011460400000000 ] - [ -0.0001067500000000, 0.0000000000000000, -0.0090194700000000 ] - [ -0.0000501800000000, -0.0001638000000000, -0.0067388600000000 ] - [ -0.0000501800000000, 0.0001638000000000, -0.0067388600000000 ] - [ -0.0283603100000000, 0.0000000000000000, -0.0077801900000000 ] - [ 0.0005659300000000, -0.0016603200000000, 0.0022480600000000 ] - [ 0.0005659300000000, 0.0016603200000000, 0.0022480600000000 ] - [ 0.0024468100000000, 0.0000000000000000, -0.0018193000000000 ] - [ 0.0024861800000000, -0.0000050500000000, -0.0011332800000000 ] - [ 0.0024861800000000, 0.0000050500000000, -0.0011332800000000 ] - [ 0.0058279300000000, -0.0043323400000000, -0.0007930800000000 ] - [ 0.0058279300000000, 0.0043323400000000, -0.0007930800000000 ] - [ 0.0055897400000000, 0.0000000000000000, -0.0016214200000000 ] - [ 0.0041878600000000, 0.0045154700000000, -0.0009361500000000 ] - [ 0.0041878600000000, -0.0045154700000000, -0.0009361500000000 ] - [ 0.0046030800000000, 0.0000000000000000, -0.0018287700000000 ] - [ 0.0051797700000000, -0.0031421800000000, -0.0051491300000000 ] - [ 0.0051797700000000, 0.0031421800000000, -0.0051491300000000 ] - [ 0.0050123900000000, 0.0000000000000000, -0.0040009500000000 ] - [ 0.0067860200000000, 0.0018477500000000, -0.0021209600000000 ] - [ 0.0067860200000000, -0.0018477500000000, -0.0021209600000000 ] - [ 0.0068926900000000, 0.0000000000000000, -0.0014289900000000 ] - [ 0.0044429500000000, -0.0287710800000000, -0.0140848600000000 ] - [ 0.0044429500000000, 0.0287710800000000, -0.0140848600000000 ] - [ 0.0043784200000000, 0.0000000000000000, -0.0018346600000000 ] - [ 0.0058433400000000, 0.0304042700000000, -0.0123062900000000 ] - [ 0.0058433400000000, -0.0304042700000000, -0.0123062900000000 ] - [ 0.0055742000000000, 0.0000000000000000, -0.0022850300000000 ] - [ 0.0070884800000000, 0.0034136100000000, 0.0019650000000000 ] - [ 0.0070884800000000, -0.0034136100000000, 0.0019650000000000 ] - [ 0.0070809000000000, 0.0000000000000000, 0.0030330200000000 ] - [ 0.0001595100000000, 0.0005791300000000, 0.0025474900000000 ] - [ 0.0001595100000000, -0.0005791300000000, 0.0025474900000000 ] - [ 0.0002660500000000, 0.0000000000000000, 0.0019408900000000 ] - [ 0.0021564100000000, 0.0032402900000000, 0.0020751700000000 ] - [ 0.0021564100000000, -0.0032402900000000, 0.0020751700000000 ] - [ 0.0003457500000000, 0.0000000000000000, 0.0000082500000000 ] - [ 0.0008928700000000, 0.0013998300000000, -0.0127467000000000 ] - [ 0.0008928700000000, -0.0013998300000000, -0.0127467000000000 ] - [ -0.0005706200000000, 0.0000000000000000, -0.0041294400000000 ] - [ -0.0022907200000000, 0.0034999700000000, 0.0024804600000000 ] - [ -0.0022907200000000, -0.0034999700000000, 0.0024804600000000 ] - [ -0.0006094800000000, 0.0000000000000000, 0.0000583300000000 ] - [ -0.0021128000000000, 0.0010988800000000, -0.0128940300000000 ] - [ -0.0021128000000000, -0.0010988800000000, -0.0128940300000000 ] - [ -0.0004500400000000, 0.0000000000000000, -0.0042135400000000 ] - [ -0.0023861800000000, -0.0031580000000000, 0.0021792500000000 ] - [ -0.0023861800000000, 0.0031580000000000, 0.0021792500000000 ] - [ -0.0004243100000000, 0.0000000000000000, -0.0000733000000000 ] - [ 0.0021515000000000, -0.0039358000000000, 0.0022641200000000 ] - [ 0.0021515000000000, 0.0039358000000000, 0.0022641200000000 ] - [ -0.0000205400000000, 0.0000000000000000, -0.0002370500000000 ] - [ -0.0121022600000000, 0.0000000000000000, 0.0157138000000000 ] - [ -0.0100209200000000, 0.0027845800000000, 0.0027221600000000 ] - [ -0.0100209200000000, -0.0027845800000000, 0.0027221600000000 ] - [ -0.0120258200000000, 0.0000000000000000, 0.0143329000000000 ] - [ -0.0117746000000000, 0.0000280300000000, 0.0116781400000000 ] - [ -0.0117746000000000, -0.0000280300000000, 0.0116781400000000 ] - [ -0.0019643300000000, 0.0000000000000000, 0.0203918400000000 ] - [ -0.0024997700000000, 0.0000537500000000, 0.0161338500000000 ] - [ -0.0024997700000000, -0.0000537500000000, 0.0161338500000000 ] - [ -0.0049247200000000, 0.0000000000000000, 0.0120326200000000 ] - [ -0.0055337800000000, -0.0014595000000000, 0.0076475400000000 ] - [ -0.0055337800000000, 0.0014595000000000, 0.0076475400000000 ] - [ 0.0011681000000000, 0.0000000000000000, -0.0001975600000000 ] - [ -0.0065891900000000, -0.0149540700000000, -0.0020806300000000 ] - [ -0.0065891900000000, 0.0149540700000000, -0.0020806300000000 ] - [ -0.0059119800000000, 0.0000000000000000, -0.0058503400000000 ] - [ -0.0077048200000000, -0.0030165100000000, -0.0008237500000000 ] - [ -0.0077048200000000, 0.0030165100000000, -0.0008237500000000 ] - [ -0.0081399000000000, 0.0000000000000000, 0.0206220600000000 ] - [ -0.0070996600000000, -0.0023549100000000, 0.0085715200000000 ] - [ -0.0070996600000000, 0.0023549100000000, 0.0085715200000000 ] - [ -0.0050827000000000, 0.0000000000000000, -0.0072050500000000 ] - [ -0.0070108100000000, 0.0030759300000000, -0.0017481800000000 ] - [ -0.0070108100000000, -0.0030759300000000, -0.0017481800000000 ] - [ -0.0083669300000000, 0.0000000000000000, 0.0104811800000000 ] - [ -0.0086632800000000, 0.0016521100000000, 0.0057473600000000 ] - [ -0.0086632800000000, -0.0016521100000000, 0.0057473600000000 ] - [ -0.0079132400000000, 0.0000000000000000, -0.0512271900000000 ] - [ -0.0067820200000000, 0.0156449900000000, -0.0033837200000000 ] - [ -0.0067820200000000, -0.0156449900000000, -0.0033837200000000 ]- atom: 49 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0007572100000000, 0.0000076900000000, -0.0000705700000000 ] - [ -0.0007572100000000, -0.0000076900000000, -0.0000705700000000 ] - [ -0.0006575300000000, 0.0000000000000000, -0.0000659600000000 ] - [ -0.0001938800000000, -0.0000018300000000, 0.0000325300000000 ] - [ -0.0001938800000000, 0.0000018300000000, 0.0000325300000000 ] - [ -0.0001825600000000, 0.0000000000000000, 0.0000374800000000 ] - [ -0.0001030200000000, -0.0000021200000000, 0.0002880300000000 ] - [ -0.0001030200000000, 0.0000021200000000, 0.0002880300000000 ] - [ -0.0001133000000000, 0.0000000000000000, 0.0002919900000000 ] - [ 0.0044048500000000, -0.0013164800000000, -0.0047982400000000 ] - [ 0.0044048500000000, 0.0013164800000000, -0.0047982400000000 ] - [ 0.0043869100000000, 0.0000000000000000, -0.0040506100000000 ] - [ 0.0096130200000000, -0.0000464100000000, -0.0035126600000000 ] - [ 0.0096130200000000, 0.0000464100000000, -0.0035126600000000 ] - [ 0.0096209100000000, 0.0000000000000000, -0.0035042700000000 ] - [ 0.0013900000000000, 0.0001197100000000, -0.0070711500000000 ] - [ 0.0013900000000000, -0.0001197100000000, -0.0070711500000000 ] - [ 0.0013896300000000, 0.0000000000000000, -0.0071033900000000 ] - [ 0.0129756900000000, 0.0000000000000000, -0.0233871500000000 ] - [ -0.0005718900000000, 0.0009467300000000, -0.0029761300000000 ] - [ -0.0005718900000000, -0.0009467300000000, -0.0029761300000000 ] - [ 0.0078707800000000, 0.0000000000000000, 0.0003466600000000 ] - [ 0.0028958500000000, -0.0000276300000000, 0.0002854600000000 ] - [ 0.0028958500000000, 0.0000276300000000, 0.0002854600000000 ] - [ -0.0003903400000000, 0.0000000000000000, 0.0000814500000000 ] - [ -0.0003910500000000, -0.0001722700000000, -0.0013909800000000 ] - [ -0.0003910500000000, 0.0001722700000000, -0.0013909800000000 ] - [ -0.0032151900000000, 0.0000000000000000, 0.0001422300000000 ] - [ 0.0009760200000000, 0.0002513500000000, -0.0001998600000000 ] - [ 0.0009760200000000, -0.0002513500000000, -0.0001998600000000 ] - [ -0.0006501100000000, 0.0000000000000000, -0.0027812100000000 ] - [ -0.0001991700000000, 0.0001103400000000, -0.0017925900000000 ] - [ -0.0001991700000000, -0.0001103400000000, -0.0017925900000000 ] - [ 0.0697488900000000, 0.0000000000000000, 0.0006908600000000 ] - [ 0.0085986300000000, 0.0000498400000000, -0.0000632500000000 ] - [ 0.0085986300000000, -0.0000498400000000, -0.0000632500000000 ] - [ 0.0126090200000000, 0.0000000000000000, 0.0258691400000000 ] - [ 0.0005408400000000, -0.0010029100000000, 0.0006241300000000 ] - [ 0.0005408400000000, 0.0010029100000000, 0.0006241300000000 ] - [ -0.0007141700000000, 0.0000000000000000, -0.0001558800000000 ] - [ -0.0005717800000000, 0.0001351200000000, -0.0014388700000000 ] - [ -0.0005717800000000, -0.0001351200000000, -0.0014388700000000 ] - [ 0.0079117300000000, 0.0000000000000000, 0.0007614100000000 ] - [ 0.0033093700000000, 0.0000160800000000, 0.0005422300000000 ] - [ 0.0033093700000000, -0.0000160800000000, 0.0005422300000000 ] - [ 0.0101045300000000, 0.0000000000000000, -0.0248520900000000 ] - [ -0.0004063000000000, -0.0009157600000000, -0.0030416800000000 ] - [ -0.0004063000000000, 0.0009157600000000, -0.0030416800000000 ] - [ -0.1876050600000000, 0.0000000000000000, -0.0001893300000000 ] - [ -0.0026509000000000, -0.0002394600000000, 0.0003881400000000 ] - [ -0.0026509000000000, 0.0002394600000000, 0.0003881400000000 ] - [ 0.0129272300000000, 0.0000000000000000, 0.0205855000000000 ] - [ 0.0001212300000000, 0.0009488700000000, -0.0000810100000000 ] - [ 0.0001212300000000, -0.0009488700000000, -0.0000810100000000 ] - [ 0.0032624300000000, 0.0000000000000000, -0.0003113700000000 ] - [ 0.0031305300000000, 0.0000101200000000, -0.0003181600000000 ] - [ 0.0031305300000000, -0.0000101200000000, -0.0003181600000000 ] - [ -0.0001636000000000, 0.0000000000000000, -0.0028357300000000 ] - [ -0.0003001200000000, -0.0001285100000000, -0.0018391200000000 ] - [ -0.0003001200000000, 0.0001285100000000, -0.0018391200000000 ] - [ 0.0017738400000000, 0.0000000000000000, -0.0001302100000000 ] - [ 0.0016236300000000, -0.0000039700000000, -0.0001658000000000 ] - [ 0.0016236300000000, 0.0000039700000000, -0.0001658000000000 ] - [ 0.0005321900000000, 0.0000000000000000, -0.0002772500000000 ] - [ 0.0004591400000000, -0.0000229000000000, -0.0003418400000000 ] - [ 0.0004591400000000, 0.0000229000000000, -0.0003418400000000 ] - [ 0.0021001800000000, 0.0000000000000000, -0.0001442000000000 ] - [ 0.0021854800000000, -0.0000003900000000, -0.0001468200000000 ] - [ 0.0021854800000000, 0.0000003900000000, -0.0001468200000000 ] - [ -0.0001895500000000, 0.0000000000000000, -0.0019260600000000 ] - [ -0.0001278100000000, 0.0000161200000000, -0.0019798500000000 ] - [ -0.0001278100000000, -0.0000161200000000, -0.0019798500000000 ] - [ -0.0027664800000000, 0.0000000000000000, 0.0001940200000000 ] - [ 0.0014771900000000, 0.0002293700000000, 0.0003627300000000 ] - [ 0.0014771900000000, -0.0002293700000000, 0.0003627300000000 ] - [ 0.0020807200000000, 0.0000000000000000, 0.0003002500000000 ] - [ 0.0022179700000000, -0.0000086400000000, 0.0002819000000000 ] - [ 0.0022179700000000, 0.0000086400000000, 0.0002819000000000 ] - [ 0.0187936400000000, -0.0235254900000000, -0.0030006600000000 ] - [ 0.0187936400000000, 0.0235254900000000, -0.0030006600000000 ] - [ 0.0053410400000000, 0.0000000000000000, -0.0032576000000000 ] - [ 0.0046221100000000, -0.0014500400000000, -0.0024633300000000 ] - [ 0.0046221100000000, 0.0014500400000000, -0.0024633300000000 ] - [ 0.0046099700000000, 0.0000000000000000, -0.0030874000000000 ] - [ 0.0048952300000000, 0.0018599900000000, -0.0014084800000000 ] - [ 0.0048952300000000, -0.0018599900000000, -0.0014084800000000 ] - [ 0.0049414800000000, 0.0000000000000000, -0.0021563000000000 ] - [ 0.0069176000000000, -0.0001015500000000, -0.0005602000000000 ] - [ 0.0069176000000000, 0.0001015500000000, -0.0005602000000000 ] - [ 0.0069204000000000, 0.0000000000000000, -0.0005821000000000 ] - [ 0.0163560100000000, 0.0266012000000000, -0.0051615600000000 ] - [ 0.0163560100000000, -0.0266012000000000, -0.0051615600000000 ] - [ 0.0053611200000000, 0.0000000000000000, -0.0045815500000000 ] - [ 0.0052381100000000, 0.0014787500000000, -0.0048790500000000 ] - [ 0.0052381100000000, -0.0014787500000000, -0.0048790500000000 ] - [ 0.0052441200000000, 0.0000000000000000, -0.0043768400000000 ] - [ 0.0069033000000000, 0.0000716600000000, 0.0043138500000000 ] - [ 0.0069033000000000, -0.0000716600000000, 0.0043138500000000 ] - [ 0.0068981200000000, 0.0000000000000000, 0.0043188200000000 ] - [ 0.0010228700000000, -0.0001310600000000, 0.0000314700000000 ] - [ 0.0010228700000000, 0.0001310600000000, 0.0000314700000000 ] - [ 0.0007542300000000, 0.0000000000000000, 0.0001065500000000 ] - [ -0.0059064600000000, -0.0002819800000000, -0.0000664600000000 ] - [ -0.0059064600000000, 0.0002819800000000, -0.0000664600000000 ] - [ -0.0012980800000000, 0.0000000000000000, 0.0001661100000000 ] - [ -0.0053739000000000, -0.0000051200000000, 0.0000390400000000 ] - [ -0.0053739000000000, 0.0000051200000000, 0.0000390400000000 ] - [ -0.0012362000000000, 0.0000000000000000, -0.0001922100000000 ] - [ 0.0077663100000000, 0.0020975700000000, 0.0022514900000000 ] - [ 0.0077663100000000, -0.0020975700000000, 0.0022514900000000 ] - [ 0.0008959800000000, 0.0000000000000000, -0.0001239100000000 ] - [ 0.0071634900000000, 0.0021733700000000, -0.0018645800000000 ] - [ 0.0071634900000000, -0.0021733700000000, -0.0018645800000000 ] - [ 0.0002672100000000, 0.0000000000000000, 0.0002898200000000 ] - [ -0.0003629200000000, 0.0000740200000000, -0.0000526500000000 ] - [ -0.0003629200000000, -0.0000740200000000, -0.0000526500000000 ] - [ -0.0001547000000000, 0.0000000000000000, 0.0000042400000000 ] - [ -0.0000931800000000, -0.0000465500000000, -0.0001711100000000 ] - [ -0.0000931800000000, 0.0000465500000000, -0.0001711100000000 ] - [ -0.0003325400000000, 0.0000000000000000, -0.0001853800000000 ] - [ -0.0095841400000000, 0.0000000000000000, -0.0029347500000000 ] - [ -0.0094866500000000, 0.0000420100000000, -0.0031649100000000 ] - [ -0.0094866500000000, -0.0000420100000000, -0.0031649100000000 ] - [ -0.0111723200000000, 0.0000000000000000, 0.0055852100000000 ] - [ -0.0112129000000000, -0.0000251200000000, 0.0053833500000000 ] - [ -0.0112129000000000, 0.0000251200000000, 0.0053833500000000 ] - [ -0.0036177800000000, 0.0000000000000000, 0.0075933400000000 ] - [ -0.0035366100000000, 0.0000883700000000, 0.0080655800000000 ] - [ -0.0035366100000000, -0.0000883700000000, 0.0080655800000000 ] - [ -0.0060831400000000, 0.0000000000000000, 0.0161436100000000 ] - [ -0.0061525200000000, -0.0008204500000000, 0.0060945600000000 ] - [ -0.0061525200000000, 0.0008204500000000, 0.0060945600000000 ] - [ 0.0341850000000000, 0.0000000000000000, 0.0075858100000000 ] - [ -0.0062621000000000, 0.0128783800000000, 0.0057081600000000 ] - [ -0.0062621000000000, -0.0128783800000000, 0.0057081600000000 ] - [ -0.0384569300000000, 0.0000000000000000, 0.0009802800000000 ] - [ -0.0082336800000000, -0.0116803200000000, 0.0049773400000000 ] - [ -0.0082336800000000, 0.0116803200000000, 0.0049773400000000 ] - [ -0.0057865200000000, 0.0000000000000000, -0.0103657200000000 ] - [ -0.0063992300000000, 0.0010989200000000, 0.0023105800000000 ] - [ -0.0063992300000000, -0.0010989200000000, 0.0023105800000000 ] - [ -0.0071231500000000, 0.0000000000000000, -0.0077527400000000 ] - [ -0.0070587500000000, -0.0009077900000000, 0.0033052500000000 ] - [ -0.0070587500000000, 0.0009077900000000, 0.0033052500000000 ] - [ -0.0087957100000000, 0.0000000000000000, 0.0018188800000000 ] - [ -0.0088033900000000, -0.0000588400000000, 0.0021699200000000 ] - [ -0.0088033900000000, 0.0000588400000000, 0.0021699200000000 ] - [ -0.0060266500000000, 0.0000000000000000, 0.0176145900000000 ] - [ -0.0066658200000000, 0.0008095800000000, 0.0064673300000000 ] - [ -0.0066658200000000, -0.0008095800000000, 0.0064673300000000 ]- atom: 49 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0003149400000000, -0.0000046500000000, -0.0000597600000000 ] - [ -0.0003149400000000, 0.0000046500000000, -0.0000597600000000 ] - [ -0.0004144100000000, 0.0000000000000000, -0.0000648300000000 ] - [ -0.0000717000000000, 0.0000026600000000, 0.0000853400000000 ] - [ -0.0000717000000000, -0.0000026600000000, 0.0000853400000000 ] - [ -0.0000828700000000, 0.0000000000000000, 0.0000805800000000 ] - [ -0.0002099500000000, 0.0000029200000000, 0.0003363100000000 ] - [ -0.0002099500000000, -0.0000029200000000, 0.0003363100000000 ] - [ -0.0001995000000000, 0.0000000000000000, 0.0003317600000000 ] - [ 0.0045492000000000, 0.0012880300000000, -0.0026011700000000 ] - [ 0.0045492000000000, -0.0012880300000000, -0.0026011700000000 ] - [ 0.0045830700000000, 0.0000000000000000, -0.0033516200000000 ] - [ 0.0096591000000000, 0.0000414400000000, -0.0033784100000000 ] - [ 0.0096591000000000, -0.0000414400000000, -0.0033784100000000 ] - [ 0.0096511000000000, 0.0000000000000000, -0.0033857100000000 ] - [ 0.0013678000000000, -0.0001244200000000, -0.0073595000000000 ] - [ 0.0013678000000000, 0.0001244200000000, -0.0073595000000000 ] - [ 0.0013680600000000, 0.0000000000000000, -0.0073264100000000 ] - [ -0.0142374500000000, 0.0000000000000000, 0.0203495500000000 ] - [ -0.0007369900000000, -0.0009461800000000, 0.0003547000000000 ] - [ -0.0007369900000000, 0.0009461800000000, 0.0003547000000000 ] - [ -0.0038985100000000, 0.0000000000000000, 0.0001356400000000 ] - [ 0.0010467000000000, 0.0000310300000000, 0.0002249100000000 ] - [ 0.0010467000000000, -0.0000310300000000, 0.0002249100000000 ] - [ -0.0002407000000000, 0.0000000000000000, -0.0040562000000000 ] - [ -0.0002455200000000, 0.0001744200000000, -0.0025622900000000 ] - [ -0.0002455200000000, -0.0001744200000000, -0.0025622900000000 ] - [ 0.0071140100000000, 0.0000000000000000, -0.0000258700000000 ] - [ 0.0029248100000000, -0.0002761600000000, 0.0003351700000000 ] - [ 0.0029248100000000, 0.0002761600000000, 0.0003351700000000 ] - [ 0.0005452500000000, 0.0000000000000000, 0.0000919300000000 ] - [ 0.0000964800000000, -0.0001075600000000, -0.0008656900000000 ] - [ 0.0000964800000000, 0.0001075600000000, -0.0008656900000000 ] - [ -0.0650030200000000, 0.0000000000000000, -0.0008424600000000 ] - [ -0.0040058700000000, -0.0000331500000000, -0.0001165600000000 ] - [ -0.0040058700000000, 0.0000331500000000, -0.0001165600000000 ] - [ -0.0118101100000000, 0.0000000000000000, -0.0286489900000000 ] - [ 0.0001587200000000, 0.0010009200000000, -0.0030953500000000 ] - [ 0.0001587200000000, -0.0010009200000000, -0.0030953500000000 ] - [ -0.0002974700000000, 0.0000000000000000, -0.0037256600000000 ] - [ -0.0004414600000000, -0.0001345800000000, -0.0024552300000000 ] - [ -0.0004414600000000, 0.0001345800000000, -0.0024552300000000 ] - [ -0.0029211600000000, 0.0000000000000000, 0.0003237800000000 ] - [ 0.0016573300000000, -0.0000157700000000, 0.0005381600000000 ] - [ 0.0016573300000000, 0.0000157700000000, 0.0005381600000000 ] - [ -0.0109336500000000, 0.0000000000000000, 0.0227024200000000 ] - [ -0.0005366300000000, 0.0009087300000000, 0.0007427400000000 ] - [ -0.0005366300000000, -0.0009087300000000, 0.0007427400000000 ] - [ 0.1969605400000000, 0.0000000000000000, 0.0012915300000000 ] - [ 0.0078588800000000, 0.0002334200000000, 0.0005009400000000 ] - [ 0.0078588800000000, -0.0002334200000000, 0.0005009400000000 ] - [ -0.0126652700000000, 0.0000000000000000, -0.0233008700000000 ] - [ 0.0001248800000000, -0.0009535100000000, -0.0029136900000000 ] - [ 0.0001248800000000, 0.0009535100000000, -0.0029136900000000 ] - [ 0.0026104700000000, 0.0000000000000000, -0.0003919200000000 ] - [ 0.0027406300000000, -0.0000099500000000, -0.0003848000000000 ] - [ 0.0027406300000000, 0.0000099500000000, -0.0003848000000000 ] - [ -0.0003960500000000, 0.0000000000000000, 0.0000003600000000 ] - [ -0.0002623000000000, 0.0001286300000000, -0.0009999900000000 ] - [ -0.0002623000000000, -0.0001286300000000, -0.0009999900000000 ] - [ 0.0010590400000000, 0.0000000000000000, -0.0002371700000000 ] - [ 0.0012082900000000, 0.0000046600000000, -0.0001982900000000 ] - [ 0.0012082900000000, -0.0000046600000000, -0.0001982900000000 ] - [ 0.0003046600000000, 0.0000000000000000, -0.0006414400000000 ] - [ 0.0003774100000000, 0.0000235000000000, -0.0005731500000000 ] - [ 0.0003774100000000, -0.0000235000000000, -0.0005731500000000 ] - [ 0.0025962800000000, 0.0000000000000000, -0.0001893300000000 ] - [ 0.0025107700000000, 0.0000007900000000, -0.0001868100000000 ] - [ 0.0025107700000000, -0.0000007900000000, -0.0001868100000000 ] - [ -0.0000604300000000, 0.0000000000000000, -0.0022081600000000 ] - [ -0.0001235500000000, -0.0000153200000000, -0.0021506700000000 ] - [ -0.0001235500000000, 0.0000153200000000, -0.0021506700000000 ] - [ 0.0076236500000000, 0.0000000000000000, 0.0001609200000000 ] - [ 0.0033861800000000, -0.0002525800000000, -0.0000120300000000 ] - [ 0.0033861800000000, 0.0002525800000000, -0.0000120300000000 ] - [ 0.0027446700000000, 0.0000000000000000, 0.0002188300000000 ] - [ 0.0026073800000000, 0.0000096300000000, 0.0002406300000000 ] - [ 0.0026073800000000, -0.0000096300000000, 0.0002406300000000 ] - [ -0.0077359500000000, 0.0231435700000000, -0.0039162000000000 ] - [ -0.0077359500000000, -0.0231435700000000, -0.0039162000000000 ] - [ 0.0057143600000000, 0.0000000000000000, -0.0036705000000000 ] - [ 0.0046610500000000, 0.0014421300000000, -0.0043545200000000 ] - [ 0.0046610500000000, -0.0014421300000000, -0.0043545200000000 ] - [ 0.0046860200000000, 0.0000000000000000, -0.0037231800000000 ] - [ 0.0050134000000000, -0.0018771900000000, -0.0037486500000000 ] - [ 0.0050134000000000, 0.0018771900000000, -0.0037486500000000 ] - [ 0.0049561300000000, 0.0000000000000000, -0.0030047400000000 ] - [ 0.0069267700000000, 0.0000983300000000, -0.0007865000000000 ] - [ 0.0069267700000000, -0.0000983300000000, -0.0007865000000000 ] - [ 0.0069237500000000, 0.0000000000000000, -0.0007643400000000 ] - [ -0.0067841800000000, -0.0268409700000000, -0.0034955100000000 ] - [ -0.0067841800000000, 0.0268409700000000, -0.0034955100000000 ] - [ 0.0040870700000000, 0.0000000000000000, -0.0040822100000000 ] - [ 0.0051787000000000, -0.0014766600000000, -0.0031269800000000 ] - [ 0.0051787000000000, 0.0014766600000000, -0.0031269800000000 ] - [ 0.0051638500000000, 0.0000000000000000, -0.0036210900000000 ] - [ 0.0068512100000000, -0.0000738300000000, 0.0044169300000000 ] - [ 0.0068512100000000, 0.0000738300000000, 0.0044169300000000 ] - [ 0.0068564300000000, 0.0000000000000000, 0.0044121400000000 ] - [ -0.0001577400000000, 0.0001362100000000, 0.0001812500000000 ] - [ -0.0001577400000000, -0.0001362100000000, 0.0001812500000000 ] - [ 0.0001108700000000, 0.0000000000000000, 0.0001056300000000 ] - [ 0.0052807500000000, 0.0003236500000000, 0.0002701300000000 ] - [ 0.0052807500000000, -0.0003236500000000, 0.0002701300000000 ] - [ 0.0006886600000000, 0.0000000000000000, 0.0000172100000000 ] - [ 0.0045645800000000, 0.0000283000000000, -0.0004158400000000 ] - [ 0.0045645800000000, -0.0000283000000000, -0.0004158400000000 ] - [ 0.0004410100000000, 0.0000000000000000, -0.0001573600000000 ] - [ -0.0077821300000000, -0.0022708300000000, -0.0023466700000000 ] - [ -0.0077821300000000, 0.0022708300000000, -0.0023466700000000 ] - [ -0.0009637500000000, 0.0000000000000000, 0.0002256500000000 ] - [ -0.0082737400000000, -0.0023750500000000, 0.0021236000000000 ] - [ -0.0082737400000000, 0.0023750500000000, 0.0021236000000000 ] - [ -0.0014272900000000, 0.0000000000000000, -0.0002205400000000 ] - [ 0.0005410500000000, -0.0000723800000000, 0.0001138600000000 ] - [ 0.0005410500000000, 0.0000723800000000, 0.0001138600000000 ] - [ 0.0003334400000000, 0.0000000000000000, 0.0000560700000000 ] - [ -0.0011199200000000, 0.0000474000000000, -0.0001441900000000 ] - [ -0.0011199200000000, -0.0000474000000000, -0.0001441900000000 ] - [ -0.0008804900000000, 0.0000000000000000, -0.0001319900000000 ] - [ -0.0092917700000000, 0.0000000000000000, -0.0036719000000000 ] - [ -0.0093883300000000, -0.0000435900000000, -0.0034420100000000 ] - [ -0.0093883300000000, 0.0000435900000000, -0.0034420100000000 ] - [ -0.0111945900000000, 0.0000000000000000, 0.0048086300000000 ] - [ -0.0111515300000000, 0.0000211400000000, 0.0049950200000000 ] - [ -0.0111515300000000, -0.0000211400000000, 0.0049950200000000 ] - [ -0.0033074300000000, 0.0000000000000000, 0.0094077800000000 ] - [ -0.0033890900000000, -0.0000923100000000, 0.0089230600000000 ] - [ -0.0033890900000000, 0.0000923100000000, 0.0089230600000000 ] - [ -0.0058318900000000, 0.0000000000000000, -0.0061703300000000 ] - [ -0.0057714700000000, 0.0008108600000000, 0.0037447700000000 ] - [ -0.0057714700000000, -0.0008108600000000, 0.0037447700000000 ] - [ -0.0546270900000000, 0.0000000000000000, 0.0038903200000000 ] - [ -0.0065662900000000, -0.0128874000000000, 0.0058113800000000 ] - [ -0.0065662900000000, 0.0128874000000000, 0.0058113800000000 ] - [ 0.0261251600000000, 0.0000000000000000, 0.0085310800000000 ] - [ -0.0068044700000000, 0.0115818400000000, 0.0045631700000000 ] - [ -0.0068044700000000, -0.0115818400000000, 0.0045631700000000 ] - [ -0.0077819600000000, 0.0000000000000000, 0.0176988900000000 ] - [ -0.0071396300000000, -0.0011055100000000, 0.0049654700000000 ] - [ -0.0071396300000000, 0.0011055100000000, 0.0049654700000000 ] - [ -0.0067743200000000, 0.0000000000000000, 0.0166480700000000 ] - [ -0.0068377600000000, 0.0009104500000000, 0.0056515400000000 ] - [ -0.0068377600000000, -0.0009104500000000, 0.0056515400000000 ] - [ -0.0087301000000000, 0.0000000000000000, 0.0031921500000000 ] - [ -0.0087198800000000, 0.0000569900000000, 0.0028432700000000 ] - [ -0.0087198800000000, -0.0000569900000000, 0.0028432700000000 ] - [ -0.0080086600000000, 0.0000000000000000, -0.0072852300000000 ] - [ -0.0073548400000000, -0.0008026300000000, 0.0038376600000000 ] - [ -0.0073548400000000, 0.0008026300000000, 0.0038376600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005323200000000, 0.0000840700000000, -0.0001780500000000 ] - [ -0.0005384800000000, 0.0000866700000000, 0.0000473700000000 ] - [ -0.0005353800000000, -0.0001712500000000, -0.0000644200000000 ] - [ -0.0001331400000000, 0.0000305800000000, 0.0000595400000000 ] - [ -0.0001325200000000, 0.0000314200000000, 0.0000573200000000 ] - [ -0.0001330100000000, -0.0000615900000000, 0.0000583600000000 ] - [ -0.0001549900000000, 0.0000308800000000, 0.0003108300000000 ] - [ -0.0001564700000000, 0.0000317300000000, 0.0003098400000000 ] - [ -0.0001557300000000, -0.0000605400000000, 0.0003101900000000 ] - [ 0.0039656500000000, -0.0007428100000000, -0.0029335100000000 ] - [ 0.0050162100000000, -0.0007585300000000, -0.0044693100000000 ] - [ 0.0044878500000000, 0.0014700700000000, -0.0037013900000000 ] - [ 0.0096214500000000, -0.0001504300000000, -0.0034047300000000 ] - [ 0.0096508100000000, -0.0001544400000000, -0.0034835200000000 ] - [ 0.0096363900000000, 0.0002989700000000, -0.0034446900000000 ] - [ 0.0013861900000000, -0.0001624300000000, -0.0071745500000000 ] - [ 0.0013721000000000, -0.0001666400000000, -0.0072544000000000 ] - [ 0.0013789600000000, 0.0003298300000000, -0.0072149800000000 ] - [ -0.0006695100000000, -0.0040684000000000, -0.0012577400000000 ] - [ -0.0002834500000000, 0.0011372400000000, -0.0028660000000000 ] - [ -0.0010063500000000, 0.0011382600000000, 0.0002497200000000 ] - [ 0.0019757300000000, -0.0004703600000000, 0.0002666100000000 ] - [ 0.0019362300000000, 0.0002843300000000, -0.0000793500000000 ] - [ 0.0020031800000000, 0.0002878700000000, 0.0005907600000000 ] - [ -0.0003200100000000, -0.0002488600000000, -0.0019694500000000 ] - [ -0.0003488900000000, 0.0001199200000000, -0.0026397600000000 ] - [ -0.0002898200000000, 0.0001221800000000, -0.0013203400000000 ] - [ 0.0019406400000000, -0.0015729400000000, 0.0000565900000000 ] - [ 0.0016029300000000, 0.0013161700000000, -0.0012389600000000 ] - [ 0.0022864200000000, 0.0013066000000000, 0.0013364200000000 ] - [ -0.0000490200000000, -0.0002957400000000, -0.0013226000000000 ] - [ -0.0000769200000000, 0.0001288200000000, -0.0018908900000000 ] - [ -0.0000231700000000, 0.0001306100000000, -0.0007684600000000 ] - [ 0.0022988100000000, 0.0013403200000000, -0.0001007700000000 ] - [ 0.0021349400000000, 0.0030900400000000, 0.0000423300000000 ] - [ 0.0024332500000000, 0.0030765800000000, -0.0002248700000000 ] - [ 0.0003771600000000, -0.0042854700000000, -0.0011599800000000 ] - [ 0.0000240800000000, 0.0011190300000000, -0.0029650300000000 ] - [ 0.0006594400000000, 0.0011232300000000, 0.0004881800000000 ] - [ -0.0005049900000000, -0.0003121600000000, -0.0019521200000000 ] - [ -0.0004851500000000, 0.0001338700000000, -0.0013594200000000 ] - [ -0.0005251800000000, 0.0001358600000000, -0.0025258400000000 ] - [ 0.0024839100000000, -0.0004628000000000, 0.0005295600000000 ] - [ 0.0025092700000000, 0.0002787000000000, 0.0009249200000000 ] - [ 0.0024560500000000, 0.0002824700000000, 0.0001563000000000 ] - [ -0.0004484700000000, -0.0041725800000000, -0.0012277000000000 ] - [ -0.0007886700000000, 0.0011468900000000, 0.0005316900000000 ] - [ -0.0001709300000000, 0.0011505200000000, -0.0028371500000000 ] - [ 0.0024699000000000, -0.0578931900000000, 0.0003925500000000 ] - [ 0.0028400200000000, 0.0026163000000000, 0.0004386800000000 ] - [ 0.0023680300000000, 0.0026131400000000, 0.0004440000000000 ] - [ 0.0001079400000000, -0.0041586400000000, -0.0015586700000000 ] - [ 0.0005460200000000, 0.0011685800000000, 0.0000866100000000 ] - [ -0.0002778800000000, 0.0011686900000000, -0.0030945200000000 ] - [ 0.0029353700000000, -0.0000951200000000, -0.0003510900000000 ] - [ 0.0029309100000000, 0.0000486000000000, -0.0002753700000000 ] - [ 0.0029398000000000, 0.0000497200000000, -0.0004247200000000 ] - [ -0.0002824500000000, -0.0002679400000000, -0.0014224500000000 ] - [ -0.0003262200000000, 0.0001215800000000, -0.0008340400000000 ] - [ -0.0002382000000000, 0.0001237800000000, -0.0019916900000000 ] - [ 0.0014154600000000, -0.0000574800000000, -0.0001814600000000 ] - [ 0.0013999700000000, 0.0000290900000000, -0.0002663900000000 ] - [ 0.0014309900000000, 0.0000297100000000, -0.0000985900000000 ] - [ 0.0004188000000000, -0.0000599300000000, -0.0004542000000000 ] - [ 0.0003952900000000, 0.0000294300000000, -0.0004612000000000 ] - [ 0.0004416000000000, 0.0000300900000000, -0.0004473400000000 ] - [ 0.0023484800000000, -0.0000660300000000, -0.0001663800000000 ] - [ 0.0023617500000000, 0.0000337900000000, -0.0001037000000000 ] - [ 0.0023355600000000, 0.0000345600000000, -0.0002271900000000 ] - [ -0.0001253500000000, -0.0000648100000000, -0.0020615800000000 ] - [ -0.0001240100000000, 0.0000285500000000, -0.0020875000000000 ] - [ -0.0001268100000000, 0.0000291700000000, -0.0020364700000000 ] - [ 0.0024261900000000, -0.0014085800000000, 0.0001833700000000 ] - [ 0.0022492500000000, 0.0011447000000000, 0.0013668900000000 ] - [ 0.0026078400000000, 0.0011352500000000, -0.0009819200000000 ] - [ 0.0024131800000000, -0.0000610000000000, 0.0002623900000000 ] - [ 0.0024255300000000, 0.0000309800000000, 0.0001849400000000 ] - [ 0.0024007700000000, 0.0000316800000000, 0.0003377600000000 ] - [ -0.0081919300000000, 0.0097845200000000, -0.0034656900000000 ] - [ 0.0194661200000000, 0.0098619000000000, -0.0034681000000000 ] - [ 0.0055312900000000, 0.0054401700000000, -0.0034670200000000 ] - [ 0.0042171600000000, -0.0007526500000000, -0.0040642700000000 ] - [ 0.0050894400000000, -0.0007709100000000, -0.0027461100000000 ] - [ 0.0046504900000000, 0.0014802100000000, -0.0034052600000000 ] - [ 0.0052382800000000, -0.0007926700000000, -0.0019313400000000 ] - [ 0.0046500500000000, -0.0008139300000000, -0.0032270600000000 ] - [ 0.0049461400000000, 0.0016847200000000, -0.0025809300000000 ] - [ 0.0069195600000000, -0.0001570800000000, -0.0007187700000000 ] - [ 0.0069260500000000, -0.0001605900000000, -0.0006258800000000 ] - [ 0.0069228300000000, 0.0003103500000000, -0.0006718100000000 ] - [ 0.0191777600000000, 0.0112972300000000, -0.0044269900000000 ] - [ -0.0099310300000000, 0.0113323100000000, -0.0042411500000000 ] - [ 0.0047193600000000, 0.0053219700000000, -0.0043343800000000 ] - [ 0.0054804100000000, -0.0008057400000000, -0.0045645900000000 ] - [ 0.0049186100000000, -0.0008263100000000, -0.0034344000000000 ] - [ 0.0052015100000000, 0.0016328600000000, -0.0039982900000000 ] - [ 0.0068707000000000, -0.0001508000000000, 0.0043235500000000 ] - [ 0.0068830600000000, -0.0001544000000000, 0.0044098100000000 ] - [ 0.0068768800000000, 0.0003042700000000, 0.0043672000000000 ] - [ 0.0004259200000000, 0.0002570900000000, -0.0002307700000000 ] - [ 0.0004375900000000, 0.0002628100000000, 0.0004481400000000 ] - [ 0.0004312700000000, -0.0005432200000000, 0.0001095300000000 ] - [ -0.0004398100000000, 0.0009561000000000, -0.0017464700000000 ] - [ -0.0001731700000000, 0.0009946400000000, 0.0019216200000000 ] - [ -0.0003033900000000, -0.0016119600000000, 0.0000934200000000 ] - [ -0.0005584500000000, 0.0009762600000000, 0.0018118700000000 ] - [ -0.0002398500000000, 0.0010129600000000, -0.0021474000000000 ] - [ -0.0003966000000000, -0.0016045100000000, -0.0001731500000000 ] - [ 0.0003720800000000, -0.0000940900000000, -0.0048743400000000 ] - [ -0.0004321500000000, 0.0000498600000000, 0.0048555200000000 ] - [ -0.0000355000000000, -0.0018168000000000, 0.0000513000000000 ] - [ -0.0001624300000000, 0.0005255200000000, 0.0044525600000000 ] - [ -0.0009880500000000, 0.0007016000000000, -0.0042217000000000 ] - [ -0.0005813500000000, -0.0017945000000000, 0.0000370200000000 ] - [ 0.0000889400000000, 0.0001773400000000, 0.0002771800000000 ] - [ 0.0000903900000000, 0.0001834100000000, -0.0002177000000000 ] - [ 0.0000900600000000, -0.0003640000000000, 0.0000278900000000 ] - [ -0.0006061000000000, 0.0002451600000000, 0.0001696500000000 ] - [ -0.0006087600000000, 0.0002506000000000, -0.0004960500000000 ] - [ -0.0006076200000000, -0.0005104200000000, -0.0001639100000000 ] - [ -0.0094370500000000, 0.0002859700000000, -0.0033048500000000 ] - [ -0.0094127900000000, -0.0001410000000000, -0.0036405800000000 ] - [ -0.0094603200000000, -0.0001445000000000, -0.0029786800000000 ] - [ -0.0111814400000000, 0.0002789600000000, 0.0051831000000000 ] - [ -0.0111940600000000, -0.0001334200000000, 0.0055241200000000 ] - [ -0.0111692200000000, -0.0001371800000000, 0.0048495000000000 ] - [ -0.0034631500000000, 0.0002960300000000, 0.0084881700000000 ] - [ -0.0034263100000000, -0.0001467400000000, 0.0088742800000000 ] - [ -0.0034987300000000, -0.0001507200000000, 0.0081134300000000 ] - [ -0.0059785500000000, 0.0019780900000000, 0.0048944500000000 ] - [ -0.0062558600000000, -0.0009786400000000, 0.0064452400000000 ] - [ -0.0056848700000000, -0.0009844100000000, 0.0034004000000000 ] - [ -0.0062169300000000, 0.0206885400000000, 0.0057701600000000 ] - [ -0.0064587800000000, -0.0102919000000000, 0.0059998300000000 ] - [ -0.0063279600000000, -0.0102815300000000, 0.0055315200000000 ] - [ -0.0076210500000000, 0.0173149900000000, 0.0047816300000000 ] - [ -0.0078938000000000, -0.0091410100000000, 0.0049453900000000 ] - [ -0.0071702600000000, -0.0091075200000000, 0.0046065500000000 ] - [ -0.0067454300000000, 0.0020218900000000, 0.0036004500000000 ] - [ -0.0060902500000000, -0.0009787000000000, 0.0053396600000000 ] - [ -0.0074144900000000, -0.0009933600000000, 0.0019481600000000 ] - [ -0.0069613900000000, 0.0019825900000000, 0.0045069600000000 ] - [ -0.0074600500000000, -0.0009621000000000, 0.0027143800000000 ] - [ -0.0064586400000000, -0.0009697200000000, 0.0062312800000000 ] - [ -0.0087619200000000, 0.0002700900000000, 0.0025062200000000 ] - [ -0.0087768100000000, -0.0001284900000000, 0.0022045100000000 ] - [ -0.0087474500000000, -0.0001319300000000, 0.0028002300000000 ] - [ -0.0069903100000000, 0.0019761300000000, 0.0051904100000000 ] - [ -0.0063699300000000, -0.0009441900000000, 0.0034067300000000 ] - [ -0.0076207600000000, -0.0009559200000000, 0.0068873300000000 ]- atom: 49 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005360000000000, -0.0002351900000000, -0.0005178300000000 ] - [ -0.0005360000000000, 0.0002351900000000, -0.0005178300000000 ] - [ -0.0005417800000000, 0.0000000000000000, -0.0003039200000000 ] - [ -0.0001237600000000, 0.0000079400000000, -0.0003383300000000 ] - [ -0.0001237600000000, -0.0000079400000000, -0.0003383300000000 ] - [ -0.0001250100000000, 0.0000000000000000, -0.0002747200000000 ] - [ -0.0001645100000000, 0.0000053100000000, -0.0001291100000000 ] - [ -0.0001645100000000, -0.0000053100000000, -0.0001291100000000 ] - [ -0.0001630000000000, 0.0000000000000000, -0.0000632400000000 ] - [ 0.0040605900000000, 0.0016090900000000, -0.0029643500000000 ] - [ 0.0040605900000000, -0.0016090900000000, -0.0029643500000000 ] - [ 0.0044433900000000, 0.0000000000000000, -0.0038384600000000 ] - [ 0.0095438000000000, 0.0002442700000000, -0.0028681300000000 ] - [ 0.0095438000000000, -0.0002442700000000, -0.0028681300000000 ] - [ 0.0095694800000000, 0.0000000000000000, -0.0029862200000000 ] - [ 0.0014626100000000, 0.0002635700000000, -0.0066273200000000 ] - [ 0.0014626100000000, -0.0002635700000000, -0.0066273200000000 ] - [ 0.0014512100000000, 0.0000000000000000, -0.0067417700000000 ] - [ -0.0132474700000000, 0.0000000000000000, 0.0045365900000000 ] - [ -0.0010241400000000, -0.0006107000000000, -0.0032567200000000 ] - [ -0.0010241400000000, 0.0006107000000000, -0.0032567200000000 ] - [ 0.0022654400000000, 0.0000000000000000, 0.0022896600000000 ] - [ 0.0020049300000000, -0.0003629300000000, 0.0002000800000000 ] - [ 0.0020049300000000, 0.0003629300000000, 0.0002000800000000 ] - [ -0.0003177300000000, 0.0000000000000000, 0.0011157600000000 ] - [ -0.0001970200000000, -0.0001945700000000, -0.0005892500000000 ] - [ -0.0001970200000000, 0.0001945700000000, -0.0005892500000000 ] - [ 0.0020518200000000, 0.0000000000000000, 0.0020053500000000 ] - [ 0.0022609100000000, -0.0013912000000000, 0.0009641400000000 ] - [ 0.0022609100000000, 0.0013912000000000, 0.0009641400000000 ] - [ -0.0000546500000000, 0.0000000000000000, 0.0016441900000000 ] - [ -0.0001755300000000, -0.0002046200000000, -0.0000679800000000 ] - [ -0.0001755300000000, 0.0002046200000000, -0.0000679800000000 ] - [ 0.0022356700000000, 0.0000000000000000, 0.0003045700000000 ] - [ 0.0022014700000000, -0.0000374300000000, -0.0010375700000000 ] - [ 0.0022014700000000, 0.0000374300000000, -0.0010375700000000 ] - [ 0.0137170400000000, 0.0000000000000000, 0.0059631100000000 ] - [ 0.0004998000000000, -0.0005206800000000, -0.0032734900000000 ] - [ 0.0004998000000000, 0.0005206800000000, -0.0032734900000000 ] - [ -0.0003391000000000, 0.0000000000000000, 0.0010682500000000 ] - [ -0.0003943300000000, 0.0002474500000000, -0.0009618000000000 ] - [ -0.0003943300000000, -0.0002474500000000, -0.0009618000000000 ] - [ 0.0025092100000000, 0.0000000000000000, 0.0027951600000000 ] - [ 0.0024764200000000, 0.0003738200000000, 0.0005150100000000 ] - [ 0.0024764200000000, -0.0003738200000000, 0.0005150100000000 ] - [ -0.0133657400000000, 0.0000000000000000, 0.0076182000000000 ] - [ -0.0007967700000000, 0.0005231200000000, -0.0032816000000000 ] - [ -0.0007967700000000, -0.0005231200000000, -0.0032816000000000 ] - [ 0.0018863000000000, 0.0000000000000000, -0.0523838900000000 ] - [ 0.0025489100000000, 0.0000005400000000, -0.0013696800000000 ] - [ 0.0025489100000000, -0.0000005400000000, -0.0013696800000000 ] - [ 0.0133842800000000, 0.0000000000000000, 0.0066356800000000 ] - [ 0.0006204300000000, 0.0006307600000000, -0.0035253100000000 ] - [ 0.0006204300000000, -0.0006307600000000, -0.0035253100000000 ] - [ 0.0029764100000000, 0.0000000000000000, 0.0004801500000000 ] - [ 0.0029445900000000, 0.0001061300000000, 0.0001535600000000 ] - [ 0.0029445900000000, -0.0001061300000000, 0.0001535600000000 ] - [ -0.0002746000000000, 0.0000000000000000, 0.0013626300000000 ] - [ -0.0003504300000000, 0.0002267200000000, -0.0003309900000000 ] - [ -0.0003504300000000, -0.0002267200000000, -0.0003309900000000 ] - [ 0.0015261400000000, 0.0000000000000000, 0.0005531200000000 ] - [ 0.0014891200000000, -0.0000485300000000, 0.0002487200000000 ] - [ 0.0014891200000000, 0.0000485300000000, 0.0002487200000000 ] - [ 0.0004136800000000, 0.0000000000000000, 0.0022051400000000 ] - [ 0.0004143000000000, 0.0000048700000000, 0.0014733800000000 ] - [ 0.0004143000000000, -0.0000048700000000, 0.0014733800000000 ] - [ 0.0023679800000000, 0.0000000000000000, 0.0005725600000000 ] - [ 0.0023388500000000, 0.0000628000000000, 0.0002826800000000 ] - [ 0.0023388500000000, -0.0000628000000000, 0.0002826800000000 ] - [ -0.0001354300000000, 0.0000000000000000, 0.0005659200000000 ] - [ -0.0001496300000000, 0.0000039900000000, -0.0001969000000000 ] - [ -0.0001496300000000, -0.0000039900000000, -0.0001969000000000 ] - [ 0.0026841600000000, 0.0000000000000000, 0.0020354200000000 ] - [ 0.0022314700000000, 0.0012151100000000, 0.0009325400000000 ] - [ 0.0022314700000000, -0.0012151100000000, 0.0009325400000000 ] - [ 0.0023465000000000, 0.0000000000000000, 0.0010154200000000 ] - [ 0.0023681800000000, -0.0000474300000000, 0.0007340400000000 ] - [ 0.0023681800000000, 0.0000474300000000, 0.0007340400000000 ] - [ 0.0056818900000000, 0.0004741100000000, -0.0083684400000000 ] - [ 0.0056818900000000, -0.0004741100000000, -0.0083684400000000 ] - [ 0.0055380100000000, 0.0000000000000000, -0.0044803500000000 ] - [ 0.0050505600000000, -0.0018468900000000, -0.0027199500000000 ] - [ 0.0050505600000000, 0.0018468900000000, -0.0027199500000000 ] - [ 0.0047196300000000, 0.0000000000000000, -0.0034875400000000 ] - [ 0.0052750700000000, 0.0017626300000000, -0.0018923200000000 ] - [ 0.0052750700000000, -0.0017626300000000, -0.0018923200000000 ] - [ 0.0051017800000000, 0.0000000000000000, -0.0027225000000000 ] - [ 0.0069519500000000, -0.0003269500000000, -0.0000370500000000 ] - [ 0.0069519500000000, 0.0003269500000000, -0.0000370500000000 ] - [ 0.0069474000000000, 0.0000000000000000, -0.0001879900000000 ] - [ 0.0044917400000000, 0.0004971400000000, -0.0094414900000000 ] - [ 0.0044917400000000, -0.0004971400000000, -0.0094414900000000 ] - [ 0.0046843400000000, 0.0000000000000000, -0.0052962500000000 ] - [ 0.0048620900000000, -0.0019589200000000, -0.0033697800000000 ] - [ 0.0048620900000000, 0.0019589200000000, -0.0033697800000000 ] - [ 0.0050540400000000, 0.0000000000000000, -0.0040892500000000 ] - [ 0.0068594100000000, -0.0002935100000000, 0.0049487900000000 ] - [ 0.0068594100000000, 0.0002935100000000, 0.0049487900000000 ] - [ 0.0068474300000000, 0.0000000000000000, 0.0048162800000000 ] - [ 0.0004484900000000, -0.0004905300000000, -0.0009241700000000 ] - [ 0.0004484900000000, 0.0004905300000000, -0.0009241700000000 ] - [ 0.0004693000000000, 0.0000000000000000, -0.0004912500000000 ] - [ -0.0004324100000000, -0.0020728300000000, 0.0013334500000000 ] - [ -0.0004324100000000, 0.0020728300000000, 0.0013334500000000 ] - [ -0.0003144200000000, 0.0000000000000000, 0.0008542400000000 ] - [ -0.0002894200000000, 0.0017244300000000, 0.0017563800000000 ] - [ -0.0002894200000000, -0.0017244300000000, 0.0017563800000000 ] - [ -0.0003981600000000, 0.0000000000000000, 0.0007633000000000 ] - [ 0.0003445700000000, -0.0048884400000000, 0.0000343600000000 ] - [ 0.0003445700000000, 0.0048884400000000, 0.0000343600000000 ] - [ -0.0000106600000000, 0.0000000000000000, 0.0010099500000000 ] - [ -0.0009861300000000, 0.0042245400000000, 0.0014399400000000 ] - [ -0.0009861300000000, -0.0042245400000000, 0.0014399400000000 ] - [ -0.0005755300000000, 0.0000000000000000, 0.0011152100000000 ] - [ 0.0000956700000000, 0.0005760900000000, -0.0009143000000000 ] - [ 0.0000956700000000, -0.0005760900000000, -0.0009143000000000 ] - [ 0.0000960800000000, 0.0000000000000000, -0.0003867500000000 ] - [ -0.0006256000000000, 0.0005344100000000, -0.0011549900000000 ] - [ -0.0006256000000000, -0.0005344100000000, -0.0011549900000000 ] - [ -0.0006367000000000, 0.0000000000000000, -0.0006683700000000 ] - [ -0.0091860400000000, 0.0000000000000000, -0.0068685500000000 ] - [ -0.0092639700000000, -0.0002698000000000, -0.0055069000000000 ] - [ -0.0092639700000000, 0.0002698000000000, -0.0055069000000000 ] - [ -0.0108865500000000, 0.0000000000000000, 0.0015727900000000 ] - [ -0.0109559000000000, 0.0002216700000000, 0.0028840200000000 ] - [ -0.0109559000000000, -0.0002216700000000, 0.0028840200000000 ] - [ -0.0039074200000000, 0.0000000000000000, 0.0047476500000000 ] - [ -0.0037721400000000, 0.0002338700000000, 0.0060935200000000 ] - [ -0.0037721400000000, -0.0002338700000000, 0.0060935200000000 ] - [ -0.0061155100000000, 0.0000000000000000, -0.0008650400000000 ] - [ -0.0055796500000000, 0.0014777900000000, 0.0049241600000000 ] - [ -0.0055796500000000, -0.0014777900000000, 0.0049241600000000 ] - [ -0.0056301800000000, 0.0000000000000000, 0.0296857900000000 ] - [ -0.0062488200000000, 0.0002835000000000, 0.0093178800000000 ] - [ -0.0062488200000000, -0.0002835000000000, 0.0093178800000000 ] - [ -0.0083357000000000, 0.0000000000000000, 0.0248963400000000 ] - [ -0.0074592200000000, 0.0002692400000000, 0.0083328600000000 ] - [ -0.0074592200000000, -0.0002692400000000, 0.0083328600000000 ] - [ -0.0066545800000000, 0.0000000000000000, -0.0034360300000000 ] - [ -0.0074959600000000, 0.0015159000000000, 0.0037138100000000 ] - [ -0.0074959600000000, -0.0015159000000000, 0.0037138100000000 ] - [ -0.0076138000000000, 0.0000000000000000, -0.0026581600000000 ] - [ -0.0074449200000000, -0.0015874600000000, 0.0047866200000000 ] - [ -0.0074449200000000, 0.0015874600000000, 0.0047866200000000 ] - [ -0.0089776800000000, 0.0000000000000000, -0.0007489500000000 ] - [ -0.0088661300000000, -0.0002694200000000, 0.0006014200000000 ] - [ -0.0088661300000000, 0.0002694200000000, 0.0006014200000000 ] - [ -0.0072507400000000, 0.0000000000000000, -0.0024524000000000 ] - [ -0.0063097000000000, -0.0015968100000000, 0.0055959800000000 ] - [ -0.0063097000000000, 0.0015968100000000, 0.0055959800000000 ]- atom: 49 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005351500000000, 0.0002370800000000, 0.0003855000000000 ] - [ -0.0005351500000000, -0.0002370800000000, 0.0003855000000000 ] - [ -0.0005291200000000, 0.0000000000000000, 0.0001722600000000 ] - [ -0.0001421700000000, -0.0000073100000000, 0.0004562500000000 ] - [ -0.0001421700000000, 0.0000073100000000, 0.0004562500000000 ] - [ -0.0001410800000000, 0.0000000000000000, 0.0003918600000000 ] - [ -0.0001476200000000, -0.0000046800000000, 0.0007506000000000 ] - [ -0.0001476200000000, 0.0000046800000000, 0.0007506000000000 ] - [ -0.0001489600000000, 0.0000000000000000, 0.0006841400000000 ] - [ 0.0049192100000000, -0.0016187700000000, -0.0044345400000000 ] - [ 0.0049192100000000, 0.0016187700000000, -0.0044345400000000 ] - [ 0.0045325000000000, 0.0000000000000000, -0.0035555200000000 ] - [ 0.0097284300000000, -0.0002471700000000, -0.0040199300000000 ] - [ 0.0097284300000000, 0.0002471700000000, -0.0040199300000000 ] - [ 0.0097028300000000, 0.0000000000000000, -0.0039015500000000 ] - [ 0.0012956900000000, -0.0002663500000000, -0.0078015900000000 ] - [ 0.0012956900000000, 0.0002663500000000, -0.0078015900000000 ] - [ 0.0013068200000000, 0.0000000000000000, -0.0076868600000000 ] - [ 0.0121505800000000, 0.0000000000000000, -0.0071970700000000 ] - [ -0.0002642000000000, 0.0006132600000000, 0.0006744200000000 ] - [ -0.0002642000000000, -0.0006132600000000, 0.0006744200000000 ] - [ 0.0016811500000000, 0.0000000000000000, -0.0017910900000000 ] - [ 0.0019351700000000, 0.0003641100000000, 0.0003183600000000 ] - [ 0.0019351700000000, -0.0003641100000000, 0.0003183600000000 ] - [ -0.0003195100000000, 0.0000000000000000, -0.0050739500000000 ] - [ -0.0004417500000000, 0.0001953300000000, -0.0033621100000000 ] - [ -0.0004417500000000, -0.0001953300000000, -0.0033621100000000 ] - [ 0.0018352200000000, 0.0000000000000000, -0.0019090700000000 ] - [ 0.0016292500000000, 0.0014051800000000, -0.0008617000000000 ] - [ 0.0016292500000000, -0.0014051800000000, -0.0008617000000000 ] - [ -0.0000429200000000, 0.0000000000000000, -0.0043088100000000 ] - [ 0.0000763900000000, 0.0002058700000000, -0.0025819700000000 ] - [ 0.0000763900000000, -0.0002058700000000, -0.0025819700000000 ] - [ 0.0023573700000000, 0.0000000000000000, -0.0005125400000000 ] - [ 0.0023637800000000, 0.0000177000000000, 0.0008522100000000 ] - [ 0.0023637800000000, -0.0000177000000000, 0.0008522100000000 ] - [ -0.0131998500000000, 0.0000000000000000, -0.0084465200000000 ] - [ 0.0001836300000000, 0.0005195100000000, 0.0008310400000000 ] - [ 0.0001836300000000, -0.0005195100000000, 0.0008310400000000 ] - [ -0.0006677000000000, 0.0000000000000000, -0.0049481700000000 ] - [ -0.0006155400000000, -0.0002460000000000, -0.0029322400000000 ] - [ -0.0006155400000000, 0.0002460000000000, -0.0029322400000000 ] - [ 0.0024614800000000, 0.0000000000000000, -0.0017039200000000 ] - [ 0.0024887300000000, -0.0003726100000000, 0.0005597600000000 ] - [ 0.0024887300000000, 0.0003726100000000, 0.0005597600000000 ] - [ 0.0122412200000000, 0.0000000000000000, -0.0099062200000000 ] - [ -0.0001647500000000, -0.0005236000000000, 0.0009444500000000 ] - [ -0.0001647500000000, 0.0005236000000000, 0.0009444500000000 ] - [ 0.0030275800000000, 0.0000000000000000, 0.0531558400000000 ] - [ 0.0026518600000000, -0.0000051700000000, 0.0022516700000000 ] - [ 0.0026518600000000, 0.0000051700000000, 0.0022516700000000 ] - [ -0.0129222900000000, 0.0000000000000000, -0.0095877200000000 ] - [ -0.0003494800000000, -0.0006269600000000, 0.0004848100000000 ] - [ -0.0003494800000000, 0.0006269600000000, 0.0004848100000000 ] - [ 0.0028964200000000, 0.0000000000000000, -0.0011793800000000 ] - [ 0.0029270400000000, -0.0001054100000000, -0.0008544800000000 ] - [ 0.0029270400000000, 0.0001054100000000, -0.0008544800000000 ] - [ -0.0002898700000000, 0.0000000000000000, -0.0041906300000000 ] - [ -0.0002141900000000, -0.0002256600000000, -0.0025026100000000 ] - [ -0.0002141900000000, 0.0002256600000000, -0.0025026100000000 ] - [ 0.0013043700000000, 0.0000000000000000, -0.0009189500000000 ] - [ 0.0013414900000000, 0.0000490100000000, -0.0006123700000000 ] - [ 0.0013414900000000, -0.0000490100000000, -0.0006123700000000 ] - [ 0.0004239800000000, 0.0000000000000000, -0.0031134300000000 ] - [ 0.0004230800000000, -0.0000044000000000, -0.0023817100000000 ] - [ 0.0004230800000000, 0.0000044000000000, -0.0023817100000000 ] - [ 0.0023289700000000, 0.0000000000000000, -0.0009028800000000 ] - [ 0.0023578300000000, -0.0000622800000000, -0.0006142800000000 ] - [ 0.0023578300000000, 0.0000622800000000, -0.0006142800000000 ] - [ -0.0001144600000000, 0.0000000000000000, -0.0046880000000000 ] - [ -0.0001012500000000, -0.0000033700000000, -0.0039249000000000 ] - [ -0.0001012500000000, 0.0000033700000000, -0.0039249000000000 ] - [ 0.0021734300000000, 0.0000000000000000, -0.0016584600000000 ] - [ 0.0026250600000000, -0.0012028000000000, -0.0005530100000000 ] - [ 0.0026250600000000, 0.0012028000000000, -0.0005530100000000 ] - [ 0.0024806200000000, 0.0000000000000000, -0.0004923800000000 ] - [ 0.0024582300000000, 0.0000479800000000, -0.0002096600000000 ] - [ 0.0024582300000000, -0.0000479800000000, -0.0002096600000000 ] - [ 0.0053220600000000, -0.0003788100000000, 0.0014313300000000 ] - [ 0.0053220600000000, 0.0003788100000000, 0.0014313300000000 ] - [ 0.0055179000000000, 0.0000000000000000, -0.0024566900000000 ] - [ 0.0042539600000000, 0.0018375900000000, -0.0040932400000000 ] - [ 0.0042539600000000, -0.0018375900000000, -0.0040932400000000 ] - [ 0.0045811000000000, 0.0000000000000000, -0.0033296700000000 ] - [ 0.0046137800000000, -0.0017681400000000, -0.0032634900000000 ] - [ 0.0046137800000000, 0.0017681400000000, -0.0032634900000000 ] - [ 0.0047899500000000, 0.0000000000000000, -0.0024308200000000 ] - [ 0.0068934000000000, 0.0003230900000000, -0.0013073300000000 ] - [ 0.0068934000000000, -0.0003230900000000, -0.0013073300000000 ] - [ 0.0068979600000000, 0.0000000000000000, -0.0011569100000000 ] - [ 0.0050168700000000, -0.0003513000000000, 0.0007679800000000 ] - [ 0.0050168700000000, 0.0003513000000000, 0.0007679800000000 ] - [ 0.0047536900000000, 0.0000000000000000, -0.0033743400000000 ] - [ 0.0055376600000000, 0.0019520300000000, -0.0046313700000000 ] - [ 0.0055376600000000, -0.0019520300000000, -0.0046313700000000 ] - [ 0.0053485400000000, 0.0000000000000000, -0.0039139700000000 ] - [ 0.0068947800000000, 0.0002906300000000, 0.0037847500000000 ] - [ 0.0068947800000000, -0.0002906300000000, 0.0037847500000000 ] - [ 0.0069065800000000, 0.0000000000000000, 0.0039169400000000 ] - [ 0.0004147000000000, 0.0004929600000000, 0.0011415700000000 ] - [ 0.0004147000000000, -0.0004929600000000, 0.0011415700000000 ] - [ 0.0003930700000000, 0.0000000000000000, 0.0007066500000000 ] - [ -0.0001790000000000, 0.0020709200000000, -0.0011886400000000 ] - [ -0.0001790000000000, -0.0020709200000000, -0.0011886400000000 ] - [ -0.0002910200000000, 0.0000000000000000, -0.0006860200000000 ] - [ -0.0005084600000000, -0.0017274600000000, -0.0020568200000000 ] - [ -0.0005084600000000, 0.0017274600000000, -0.0020568200000000 ] - [ -0.0003948500000000, 0.0000000000000000, -0.0010891700000000 ] - [ -0.0004033100000000, 0.0047727800000000, -0.0000791300000000 ] - [ -0.0004033100000000, -0.0047727800000000, -0.0000791300000000 ] - [ -0.0000602600000000, 0.0000000000000000, -0.0009234100000000 ] - [ -0.0001660100000000, -0.0043680100000000, -0.0011931900000000 ] - [ -0.0001660100000000, 0.0043680100000000, -0.0011931900000000 ] - [ -0.0005866400000000, 0.0000000000000000, -0.0010249900000000 ] - [ 0.0000840800000000, -0.0005719100000000, 0.0009717100000000 ] - [ 0.0000840800000000, 0.0005719100000000, 0.0009717100000000 ] - [ 0.0000839600000000, 0.0000000000000000, 0.0004472500000000 ] - [ -0.0005886700000000, -0.0005315000000000, 0.0008293300000000 ] - [ -0.0005886700000000, 0.0005315000000000, 0.0008293300000000 ] - [ -0.0005778100000000, 0.0000000000000000, 0.0003458900000000 ] - [ -0.0096885300000000, 0.0000000000000000, 0.0002483800000000 ] - [ -0.0096098500000000, 0.0002675900000000, -0.0011080800000000 ] - [ -0.0096098500000000, -0.0002675900000000, -0.0011080800000000 ] - [ -0.0114768700000000, 0.0000000000000000, 0.0088026500000000 ] - [ -0.0114066200000000, -0.0002239200000000, 0.0074839900000000 ] - [ -0.0114066200000000, 0.0002239200000000, 0.0074839900000000 ] - [ -0.0030189500000000, 0.0000000000000000, 0.0122396700000000 ] - [ -0.0031538800000000, -0.0002358700000000, 0.0108888100000000 ] - [ -0.0031538800000000, 0.0002358700000000, 0.0108888100000000 ] - [ -0.0058385900000000, 0.0000000000000000, 0.0107312300000000 ] - [ -0.0063640200000000, -0.0014896200000000, 0.0048968300000000 ] - [ -0.0063640200000000, 0.0014896200000000, 0.0048968300000000 ] - [ -0.0067716300000000, 0.0000000000000000, -0.0181308600000000 ] - [ -0.0065258800000000, -0.0002162800000000, 0.0022097900000000 ] - [ -0.0065258800000000, 0.0002162800000000, 0.0022097900000000 ] - [ -0.0069217200000000, 0.0000000000000000, -0.0153291400000000 ] - [ -0.0075969300000000, -0.0002284500000000, 0.0012177000000000 ] - [ -0.0075969300000000, 0.0002284500000000, 0.0012177000000000 ] - [ -0.0068469200000000, 0.0000000000000000, 0.0107327800000000 ] - [ -0.0060071400000000, -0.0015204900000000, 0.0035467300000000 ] - [ -0.0060071400000000, 0.0015204900000000, 0.0035467300000000 ] - [ -0.0063193700000000, 0.0000000000000000, 0.0115847700000000 ] - [ -0.0064731200000000, 0.0015768200000000, 0.0041864800000000 ] - [ -0.0064731200000000, -0.0015768200000000, 0.0041864800000000 ] - [ -0.0085475900000000, 0.0000000000000000, 0.0057503900000000 ] - [ -0.0086577700000000, 0.0002669500000000, 0.0044072900000000 ] - [ -0.0086577700000000, -0.0002669500000000, 0.0044072900000000 ] - [ -0.0067397900000000, 0.0000000000000000, 0.0127473700000000 ] - [ -0.0076799000000000, 0.0015899800000000, 0.0047255400000000 ] - [ -0.0076799000000000, -0.0015899800000000, 0.0047255400000000 ]- atom: 52 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005517500000000, 0.0000057500000000, -0.0000716800000000 ] - [ -0.0005517500000000, -0.0000057500000000, -0.0000716800000000 ] - [ -0.0005427800000000, 0.0000000000000000, -0.0000721000000000 ] - [ -0.0001588000000000, 0.0000134700000000, 0.0000460700000000 ] - [ -0.0001588000000000, -0.0000134700000000, 0.0000460700000000 ] - [ -0.0001425800000000, 0.0000000000000000, 0.0000496200000000 ] - [ -0.0001299000000000, 0.0000087500000000, 0.0003097000000000 ] - [ -0.0001299000000000, -0.0000087500000000, 0.0003097000000000 ] - [ -0.0001454700000000, 0.0000000000000000, 0.0003107100000000 ] - [ 0.0043938200000000, -0.0001204300000000, -0.0037091600000000 ] - [ 0.0043938200000000, 0.0001204300000000, -0.0037091600000000 ] - [ 0.0044584000000000, 0.0000000000000000, -0.0036771300000000 ] - [ 0.0096289000000000, -0.0000642800000000, -0.0034286200000000 ] - [ 0.0096289000000000, 0.0000642800000000, -0.0034286200000000 ] - [ 0.0096292900000000, 0.0000000000000000, -0.0034319600000000 ] - [ 0.0013805700000000, -0.0000050300000000, -0.0072046600000000 ] - [ 0.0013805700000000, 0.0000050300000000, -0.0072046600000000 ] - [ 0.0013816800000000, 0.0000000000000000, -0.0072049500000000 ] - [ 0.0002177400000000, 0.0000000000000000, -0.0028360100000000 ] - [ -0.0007168100000000, -0.0000004500000000, -0.0012685100000000 ] - [ -0.0007168100000000, 0.0000004500000000, -0.0012685100000000 ] - [ 0.0022206900000000, 0.0000000000000000, 0.0002907300000000 ] - [ 0.0019949100000000, 0.0000423100000000, 0.0002310600000000 ] - [ 0.0019949100000000, -0.0000423100000000, 0.0002310600000000 ] - [ -0.0002979200000000, 0.0000000000000000, -0.0018355300000000 ] - [ -0.0003143800000000, 0.0000001500000000, -0.0019084000000000 ] - [ -0.0003143800000000, -0.0000001500000000, -0.0019084000000000 ] - [ 0.0020527900000000, 0.0000000000000000, 0.0002879300000000 ] - [ 0.0019396500000000, -0.0000443500000000, 0.0001428100000000 ] - [ 0.0019396500000000, 0.0000443500000000, 0.0001428100000000 ] - [ -0.0001445100000000, 0.0000000000000000, -0.0014401000000000 ] - [ -0.0000626700000000, 0.0000167900000000, -0.0012890100000000 ] - [ -0.0000626700000000, -0.0000167900000000, -0.0012890100000000 ] - [ 0.0143265100000000, 0.0000000000000000, -0.0151315600000000 ] - [ 0.0022538700000000, 0.0003881600000000, -0.0005007700000000 ] - [ 0.0022538700000000, -0.0003881600000000, -0.0005007700000000 ] - [ 0.0028376800000000, 0.0000000000000000, -0.0007791200000000 ] - [ 0.0004737800000000, -0.0000058000000000, -0.0011095400000000 ] - [ 0.0004737800000000, 0.0000058000000000, -0.0011095400000000 ] - [ 0.0003874700000000, 0.0000000000000000, 0.0005712700000000 ] - [ -0.0005840100000000, 0.0000390500000000, -0.0020095500000000 ] - [ -0.0005840100000000, -0.0000390500000000, -0.0020095500000000 ] - [ 0.0130874700000000, 0.0000000000000000, 0.0145667400000000 ] - [ 0.0024964100000000, 0.0002764600000000, 0.0007665100000000 ] - [ 0.0024964100000000, -0.0002764600000000, 0.0007665100000000 ] - [ 0.0035117700000000, 0.0000000000000000, -0.0004057700000000 ] - [ 0.0010899700000000, 0.0001823500000000, -0.0011688800000000 ] - [ 0.0010899700000000, -0.0001823500000000, -0.0011688800000000 ] - [ 0.0153624600000000, 0.0000000000000000, 0.0135082300000000 ] - [ 0.0026096100000000, -0.0004091500000000, 0.0009224200000000 ] - [ 0.0026096100000000, 0.0004091500000000, 0.0009224200000000 ] - [ -0.0538020300000000, 0.0000000000000000, 0.0021434900000000 ] - [ -0.0007741600000000, -0.0000325800000000, -0.0015858800000000 ] - [ -0.0007741600000000, 0.0000325800000000, -0.0015858800000000 ] - [ 0.0034243200000000, 0.0000000000000000, -0.0003419000000000 ] - [ 0.0029842400000000, 0.0000915300000000, -0.0002714500000000 ] - [ 0.0029842400000000, -0.0000915300000000, -0.0002714500000000 ] - [ 0.0021084800000000, 0.0000000000000000, -0.0026681900000000 ] - [ -0.0001681000000000, -0.0000086100000000, -0.0015623400000000 ] - [ -0.0001681000000000, 0.0000086100000000, -0.0015623400000000 ] - [ 0.0015113000000000, 0.0000000000000000, -0.0001505400000000 ] - [ 0.0014428200000000, 0.0000041900000000, -0.0001717400000000 ] - [ 0.0014428200000000, -0.0000041900000000, -0.0001717400000000 ] - [ 0.0004986900000000, 0.0000000000000000, -0.0005247600000000 ] - [ 0.0004371500000000, -0.0000031500000000, -0.0004626500000000 ] - [ 0.0004371500000000, 0.0000031500000000, -0.0004626500000000 ] - [ 0.0021925400000000, 0.0000000000000000, -0.0002370900000000 ] - [ 0.0023159500000000, -0.0000102600000000, -0.0002054400000000 ] - [ 0.0023159500000000, 0.0000102600000000, -0.0002054400000000 ] - [ -0.0000867300000000, 0.0000000000000000, -0.0016786400000000 ] - [ -0.0001327400000000, 0.0000215300000000, -0.0020167500000000 ] - [ -0.0001327400000000, -0.0000215300000000, -0.0020167500000000 ] - [ 0.0183838000000000, 0.0000000000000000, -0.0150010100000000 ] - [ 0.0024312800000000, -0.0004315100000000, -0.0002681400000000 ] - [ 0.0024312800000000, 0.0004315100000000, -0.0002681400000000 ] - [ 0.0023252600000000, 0.0000000000000000, 0.0002788700000000 ] - [ 0.0023882400000000, 0.0000049000000000, 0.0002723400000000 ] - [ 0.0023882400000000, -0.0000049000000000, 0.0002723400000000 ] - [ 0.0016929800000000, -0.0002135200000000, -0.0032059100000000 ] - [ 0.0016929800000000, 0.0002135200000000, -0.0032059100000000 ] - [ 0.0053514000000000, 0.0000000000000000, -0.0034462300000000 ] - [ 0.0006938900000000, -0.0004156900000000, -0.0036900000000000 ] - [ 0.0006938900000000, 0.0004156900000000, -0.0036900000000000 ] - [ 0.0045047800000000, 0.0000000000000000, -0.0034689500000000 ] - [ 0.0050029700000000, 0.0000399900000000, -0.0025376300000000 ] - [ 0.0050029700000000, -0.0000399900000000, -0.0025376300000000 ] - [ 0.0049708100000000, 0.0000000000000000, -0.0025502500000000 ] - [ 0.0068369000000000, -0.0002210700000000, -0.0006245800000000 ] - [ 0.0068369000000000, 0.0002210700000000, -0.0006245800000000 ] - [ 0.0068910900000000, 0.0000000000000000, -0.0006815100000000 ] - [ 0.0064757200000000, 0.0004110700000000, -0.0043317800000000 ] - [ 0.0064757200000000, -0.0004110700000000, -0.0043317800000000 ] - [ 0.0048472900000000, 0.0000000000000000, -0.0043458100000000 ] - [ 0.0068818600000000, 0.0004795500000000, -0.0040051500000000 ] - [ 0.0068818600000000, -0.0004795500000000, -0.0040051500000000 ] - [ 0.0053025600000000, 0.0000000000000000, -0.0040116900000000 ] - [ 0.0069340900000000, 0.0000509800000000, 0.0043297800000000 ] - [ 0.0069340900000000, -0.0000509800000000, 0.0043297800000000 ] - [ 0.0069069400000000, 0.0000000000000000, 0.0043427200000000 ] - [ 0.0004835600000000, 0.0000137200000000, 0.0000665400000000 ] - [ 0.0004835600000000, -0.0000137200000000, 0.0000665400000000 ] - [ 0.0004521000000000, 0.0000000000000000, 0.0000749700000000 ] - [ -0.0004011000000000, 0.0007107900000000, 0.0007084000000000 ] - [ -0.0004011000000000, -0.0007107900000000, 0.0007084000000000 ] - [ -0.0003438300000000, 0.0000000000000000, 0.0001319700000000 ] - [ -0.0021975400000000, 0.0047055500000000, 0.0002124300000000 ] - [ -0.0021975400000000, -0.0047055500000000, 0.0002124300000000 ] - [ -0.0004237600000000, 0.0000000000000000, -0.0001823900000000 ] - [ 0.0002432800000000, -0.0006072100000000, -0.0006623700000000 ] - [ 0.0002432800000000, 0.0006072100000000, -0.0006623700000000 ] - [ -0.0000022500000000, 0.0000000000000000, -0.0000569300000000 ] - [ -0.0008253300000000, -0.0041710700000000, -0.0001482800000000 ] - [ -0.0008253300000000, 0.0041710700000000, -0.0001482800000000 ] - [ -0.0005695400000000, 0.0000000000000000, 0.0000597700000000 ] - [ -0.0000239100000000, 0.0009437100000000, -0.0007345300000000 ] - [ -0.0000239100000000, -0.0009437100000000, -0.0007345300000000 ] - [ 0.0000505700000000, 0.0000000000000000, 0.0000304900000000 ] - [ -0.0002147100000000, -0.0006741200000000, 0.0006129600000000 ] - [ -0.0002147100000000, 0.0006741200000000, 0.0006129600000000 ] - [ -0.0005571300000000, 0.0000000000000000, -0.0000373000000000 ] - [ -0.0097991800000000, 0.0000000000000000, -0.0026536400000000 ] - [ -0.0095568300000000, 0.0000176800000000, -0.0032170200000000 ] - [ -0.0095568300000000, -0.0000176800000000, -0.0032170200000000 ] - [ -0.0111483900000000, 0.0000000000000000, 0.0050448300000000 ] - [ -0.0111737900000000, -0.0000471800000000, 0.0051257800000000 ] - [ -0.0111737900000000, 0.0000471800000000, 0.0051257800000000 ] - [ -0.0034518100000000, 0.0000000000000000, 0.0084298200000000 ] - [ -0.0034725400000000, -0.0000065200000000, 0.0084477400000000 ] - [ -0.0034725400000000, 0.0000065200000000, 0.0084477400000000 ] - [ -0.0055826700000000, 0.0000000000000000, 0.0051901000000000 ] - [ -0.0059066700000000, -0.0000733200000000, 0.0048595300000000 ] - [ -0.0059066700000000, 0.0000733200000000, 0.0048595300000000 ] - [ -0.0211064500000000, 0.0000000000000000, 0.0050663500000000 ] - [ -0.0071477800000000, 0.0002503100000000, 0.0057382300000000 ] - [ -0.0071477800000000, -0.0002503100000000, 0.0057382300000000 ] - [ 0.0076148800000000, 0.0000000000000000, 0.0032729300000000 ] - [ -0.0068070200000000, -0.0001170700000000, 0.0047784900000000 ] - [ -0.0068070200000000, 0.0001170700000000, 0.0047784900000000 ] - [ -0.0069635300000000, 0.0000000000000000, 0.0032100200000000 ] - [ -0.0068336600000000, 0.0000154900000000, 0.0035263700000000 ] - [ -0.0068336600000000, -0.0000154900000000, 0.0035263700000000 ] - [ 0.0105437100000000, 0.0000000000000000, 0.0043329600000000 ] - [ -0.0062695700000000, -0.0002542600000000, 0.0046299400000000 ] - [ -0.0062695700000000, 0.0002542600000000, 0.0046299400000000 ] - [ -0.0086593800000000, 0.0000000000000000, 0.0017888400000000 ] - [ -0.0086758500000000, -0.0001383500000000, 0.0025279100000000 ] - [ -0.0086758500000000, 0.0001383500000000, 0.0025279100000000 ] - [ -0.0230457800000000, 0.0000000000000000, 0.0057089500000000 ] - [ -0.0076762100000000, 0.0002484000000000, 0.0051948100000000 ] - [ -0.0076762100000000, -0.0002484000000000, 0.0051948100000000 ]- atom: 52 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005178000000000, -0.0000060600000000, -0.0000589500000000 ] - [ -0.0005178000000000, 0.0000060600000000, -0.0000589500000000 ] - [ -0.0005271000000000, 0.0000000000000000, -0.0000575800000000 ] - [ -0.0001051900000000, -0.0000141100000000, 0.0000723800000000 ] - [ -0.0001051900000000, 0.0000141100000000, 0.0000723800000000 ] - [ -0.0001220100000000, 0.0000000000000000, 0.0000681600000000 ] - [ -0.0001828900000000, -0.0000093000000000, 0.0003120500000000 ] - [ -0.0001828900000000, 0.0000093000000000, 0.0003120500000000 ] - [ -0.0001667100000000, 0.0000000000000000, 0.0003103400000000 ] - [ 0.0045812800000000, 0.0001270600000000, -0.0036871800000000 ] - [ 0.0045812800000000, -0.0001270600000000, -0.0036871800000000 ] - [ 0.0045173400000000, 0.0000000000000000, -0.0037214200000000 ] - [ 0.0096443700000000, 0.0000667400000000, -0.0034613800000000 ] - [ 0.0096443700000000, -0.0000667400000000, -0.0034613800000000 ] - [ 0.0096441700000000, 0.0000000000000000, -0.0034581800000000 ] - [ 0.0013780800000000, 0.0000053500000000, -0.0072263000000000 ] - [ 0.0013780800000000, -0.0000053500000000, -0.0072263000000000 ] - [ 0.0013767400000000, 0.0000000000000000, -0.0072260500000000 ] - [ -0.0014969300000000, 0.0000000000000000, 0.0003673900000000 ] - [ -0.0005768100000000, -0.0000072200000000, -0.0013292900000000 ] - [ -0.0005768100000000, 0.0000072200000000, -0.0013292900000000 ] - [ 0.0017070500000000, 0.0000000000000000, 0.0002193100000000 ] - [ 0.0019411700000000, -0.0000422100000000, 0.0002801200000000 ] - [ 0.0019411700000000, 0.0000422100000000, 0.0002801200000000 ] - [ -0.0003376400000000, 0.0000000000000000, -0.0021289300000000 ] - [ -0.0003228000000000, 0.0000001100000000, -0.0020540200000000 ] - [ -0.0003228000000000, -0.0000001100000000, -0.0020540200000000 ] - [ 0.0018609200000000, 0.0000000000000000, -0.0001798500000000 ] - [ 0.0019585900000000, 0.0000444500000000, -0.0000349600000000 ] - [ 0.0019585900000000, -0.0000444500000000, -0.0000349600000000 ] - [ 0.0000541300000000, 0.0000000000000000, -0.0012121600000000 ] - [ -0.0000364800000000, -0.0000176400000000, -0.0013691100000000 ] - [ -0.0000364800000000, 0.0000176400000000, -0.0013691100000000 ] - [ -0.0096717700000000, 0.0000000000000000, 0.0146967200000000 ] - [ 0.0022901600000000, -0.0003830500000000, 0.0003093100000000 ] - [ 0.0022901600000000, 0.0003830500000000, 0.0003093100000000 ] - [ -0.0021473800000000, 0.0000000000000000, -0.0017534300000000 ] - [ 0.0002124500000000, 0.0000077400000000, -0.0013702000000000 ] - [ 0.0002124500000000, -0.0000077400000000, -0.0013702000000000 ] - [ -0.0013781300000000, 0.0000000000000000, -0.0046207200000000 ] - [ -0.0004245300000000, -0.0000506100000000, -0.0018889700000000 ] - [ -0.0004245300000000, 0.0000506100000000, -0.0018889700000000 ] - [ -0.0080872500000000, 0.0000000000000000, -0.0132930100000000 ] - [ 0.0024519700000000, -0.0002756900000000, 0.0003199800000000 ] - [ 0.0024519700000000, 0.0002756900000000, 0.0003199800000000 ] - [ -0.0044618800000000, 0.0000000000000000, -0.0019000300000000 ] - [ -0.0020437400000000, -0.0001606200000000, -0.0011365400000000 ] - [ -0.0020437400000000, 0.0001606200000000, -0.0011365400000000 ] - [ -0.0102317000000000, 0.0000000000000000, -0.0128217500000000 ] - [ 0.0026133400000000, 0.0004152200000000, -0.0000473000000000 ] - [ 0.0026133400000000, -0.0004152200000000, -0.0000473000000000 ] - [ 0.0541195900000000, 0.0000000000000000, -0.0049034600000000 ] - [ 0.0010402700000000, 0.0000305200000000, -0.0014228900000000 ] - [ 0.0010402700000000, -0.0000305200000000, -0.0014228900000000 ] - [ 0.0024280800000000, 0.0000000000000000, -0.0003590000000000 ] - [ 0.0028826100000000, -0.0000923700000000, -0.0004285100000000 ] - [ 0.0028826100000000, 0.0000923700000000, -0.0004285100000000 ] - [ -0.0026688700000000, 0.0000000000000000, -0.0001097700000000 ] - [ -0.0003951300000000, 0.0000093200000000, -0.0012552300000000 ] - [ -0.0003951300000000, -0.0000093200000000, -0.0012552300000000 ] - [ 0.0013164200000000, 0.0000000000000000, -0.0002156400000000 ] - [ 0.0013868200000000, -0.0000043000000000, -0.0001940700000000 ] - [ 0.0013868200000000, 0.0000043000000000, -0.0001940700000000 ] - [ 0.0003377800000000, 0.0000000000000000, -0.0003835400000000 ] - [ 0.0003997500000000, 0.0000032400000000, -0.0004470100000000 ] - [ 0.0003997500000000, -0.0000032400000000, -0.0004470100000000 ] - [ 0.0025241800000000, 0.0000000000000000, -0.0000961800000000 ] - [ 0.0023847900000000, 0.0000095700000000, -0.0001258200000000 ] - [ 0.0023847900000000, -0.0000095700000000, -0.0001258200000000 ] - [ -0.0001601400000000, 0.0000000000000000, -0.0024633300000000 ] - [ -0.0001177200000000, -0.0000226600000000, -0.0021115100000000 ] - [ -0.0001177200000000, 0.0000226600000000, -0.0021115100000000 ] - [ -0.0136072000000000, 0.0000000000000000, 0.0155956200000000 ] - [ 0.0024453900000000, 0.0004350100000000, 0.0006506900000000 ] - [ 0.0024453900000000, -0.0004350100000000, 0.0006506900000000 ] - [ 0.0025067500000000, 0.0000000000000000, 0.0002429800000000 ] - [ 0.0024401500000000, -0.0000049800000000, 0.0002496200000000 ] - [ 0.0024401500000000, 0.0000049800000000, 0.0002496200000000 ] - [ 0.0093650200000000, 0.0003030200000000, -0.0036714900000000 ] - [ 0.0093650200000000, -0.0003030200000000, -0.0036714900000000 ] - [ 0.0057049800000000, 0.0000000000000000, -0.0034884800000000 ] - [ 0.0086113000000000, 0.0005441800000000, -0.0031922500000000 ] - [ 0.0086113000000000, -0.0005441800000000, -0.0031922500000000 ] - [ 0.0047974300000000, 0.0000000000000000, -0.0033426300000000 ] - [ 0.0048911000000000, -0.0000429400000000, -0.0026266100000000 ] - [ 0.0048911000000000, 0.0000429400000000, -0.0026266100000000 ] - [ 0.0049230100000000, 0.0000000000000000, -0.0026123200000000 ] - [ 0.0070080700000000, 0.0002331600000000, -0.0007264000000000 ] - [ 0.0070080700000000, -0.0002331600000000, -0.0007264000000000 ] - [ 0.0069543500000000, 0.0000000000000000, -0.0006660200000000 ] - [ 0.0029625800000000, -0.0004301800000000, -0.0043470700000000 ] - [ 0.0029625800000000, 0.0004301800000000, -0.0043470700000000 ] - [ 0.0045911700000000, 0.0000000000000000, -0.0043256000000000 ] - [ 0.0035223400000000, -0.0004938400000000, -0.0039803000000000 ] - [ 0.0035223400000000, 0.0004938400000000, -0.0039803000000000 ] - [ 0.0051005900000000, 0.0000000000000000, -0.0039812600000000 ] - [ 0.0068200200000000, -0.0000522000000000, 0.0044058000000000 ] - [ 0.0068200200000000, 0.0000522000000000, 0.0044058000000000 ] - [ 0.0068472800000000, 0.0000000000000000, 0.0043924600000000 ] - [ 0.0003765400000000, -0.0000147600000000, 0.0001518600000000 ] - [ 0.0003765400000000, 0.0000147600000000, 0.0001518600000000 ] - [ 0.0004094400000000, 0.0000000000000000, 0.0001435300000000 ] - [ -0.0001867700000000, -0.0007078600000000, -0.0005232300000000 ] - [ -0.0001867700000000, 0.0007078600000000, -0.0005232300000000 ] - [ -0.0002566700000000, 0.0000000000000000, 0.0000497700000000 ] - [ 0.0015391600000000, -0.0048018200000000, -0.0005607500000000 ] - [ 0.0015391600000000, 0.0048018200000000, -0.0005607500000000 ] - [ -0.0003598800000000, 0.0000000000000000, -0.0001583700000000 ] - [ -0.0003324000000000, 0.0006109900000000, 0.0007668900000000 ] - [ -0.0003324000000000, -0.0006109900000000, 0.0007668900000000 ] - [ -0.0000734200000000, 0.0000000000000000, 0.0001581400000000 ] - [ -0.0005011800000000, 0.0040379500000000, 0.0002165000000000 ] - [ -0.0005011800000000, -0.0040379500000000, 0.0002165000000000 ] - [ -0.0006014900000000, 0.0000000000000000, 0.0000159100000000 ] - [ 0.0002240800000000, -0.0009445200000000, 0.0007879700000000 ] - [ 0.0002240800000000, 0.0009445200000000, 0.0007879700000000 ] - [ 0.0001351100000000, 0.0000000000000000, 0.0000230500000000 ] - [ -0.0010230600000000, 0.0006720100000000, -0.0009423600000000 ] - [ -0.0010230600000000, -0.0006720100000000, -0.0009423600000000 ] - [ -0.0006629500000000, 0.0000000000000000, -0.0002915200000000 ] - [ -0.0090738000000000, 0.0000000000000000, -0.0039935300000000 ] - [ -0.0093153300000000, -0.0000173600000000, -0.0034065100000000 ] - [ -0.0093153300000000, 0.0000173600000000, -0.0034065100000000 ] - [ -0.0112191600000000, 0.0000000000000000, 0.0053339800000000 ] - [ -0.0111890700000000, 0.0000491800000000, 0.0052504100000000 ] - [ -0.0111890700000000, -0.0000491800000000, 0.0052504100000000 ] - [ -0.0034742400000000, 0.0000000000000000, 0.0085597700000000 ] - [ -0.0034520900000000, 0.0000071900000000, 0.0085415900000000 ] - [ -0.0034520900000000, -0.0000071900000000, 0.0085415900000000 ] - [ -0.0063650200000000, 0.0000000000000000, 0.0046004000000000 ] - [ -0.0060291900000000, 0.0000757800000000, 0.0049722400000000 ] - [ -0.0060291900000000, -0.0000757800000000, 0.0049722400000000 ] - [ 0.0083128400000000, 0.0000000000000000, 0.0065246400000000 ] - [ -0.0056390700000000, -0.0002726700000000, 0.0058077900000000 ] - [ -0.0056390700000000, 0.0002726700000000, 0.0058077900000000 ] - [ -0.0226841600000000, 0.0000000000000000, 0.0064709100000000 ] - [ -0.0082352000000000, 0.0001520300000000, 0.0047743700000000 ] - [ -0.0082352000000000, -0.0001520300000000, 0.0047743700000000 ] - [ -0.0065527900000000, 0.0000000000000000, 0.0041088100000000 ] - [ -0.0066795200000000, -0.0000153200000000, 0.0037607700000000 ] - [ -0.0066795200000000, 0.0000153200000000, 0.0037607700000000 ] - [ -0.0244786900000000, 0.0000000000000000, 0.0042862300000000 ] - [ -0.0076413300000000, 0.0003097500000000, 0.0043129400000000 ] - [ -0.0076413300000000, -0.0003097500000000, 0.0043129400000000 ] - [ -0.0088581200000000, 0.0000000000000000, 0.0032797700000000 ] - [ -0.0088455900000000, 0.0001463100000000, 0.0024872500000000 ] - [ -0.0088455900000000, -0.0001463100000000, 0.0024872500000000 ] - [ 0.0090445600000000, 0.0000000000000000, 0.0045428200000000 ] - [ -0.0063229000000000, -0.0002636000000000, 0.0050822000000000 ] - [ -0.0063229000000000, 0.0002636000000000, 0.0050822000000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005231800000000, 0.0000516100000000, -0.0001090100000000 ] - [ -0.0005467700000000, 0.0000537500000000, -0.0000211300000000 ] - [ -0.0005353600000000, -0.0001032000000000, -0.0000644100000000 ] - [ -0.0001201600000000, 0.0000528700000000, 0.0001028500000000 ] - [ -0.0001444400000000, 0.0000554300000000, 0.0000145600000000 ] - [ -0.0001328900000000, -0.0001072900000000, 0.0000581500000000 ] - [ -0.0001660300000000, 0.0000510000000000, 0.0003565900000000 ] - [ -0.0001455900000000, 0.0000535100000000, 0.0002649300000000 ] - [ -0.0001555100000000, -0.0001017500000000, 0.0003099600000000 ] - [ 0.0044658600000000, -0.0003466500000000, -0.0032826600000000 ] - [ 0.0045084500000000, -0.0003664700000000, -0.0041172700000000 ] - [ 0.0044873400000000, 0.0012761900000000, -0.0037045600000000 ] - [ 0.0096280800000000, -0.0001146000000000, -0.0034332900000000 ] - [ 0.0096446500000000, -0.0001223900000000, -0.0034569300000000 ] - [ 0.0096366200000000, 0.0003286500000000, -0.0034453400000000 ] - [ 0.0013820100000000, -0.0001239100000000, -0.0072124000000000 ] - [ 0.0013765100000000, -0.0001292300000000, -0.0072185200000000 ] - [ 0.0013791300000000, 0.0002539400000000, -0.0072155300000000 ] - [ -0.0006428000000000, 0.0007436400000000, -0.0012274700000000 ] - [ -0.0006084800000000, 0.0016293400000000, -0.0040090400000000 ] - [ -0.0006845300000000, 0.0016202100000000, 0.0013676800000000 ] - [ 0.0019685500000000, -0.0002541400000000, 0.0002584700000000 ] - [ 0.0021108900000000, 0.0001178400000000, 0.0000373700000000 ] - [ 0.0018298500000000, 0.0001208000000000, 0.0004718500000000 ] - [ -0.0003189600000000, -0.0001066900000000, -0.0019775300000000 ] - [ -0.0003062800000000, 0.0000543100000000, -0.0021742700000000 ] - [ -0.0003312700000000, 0.0000558500000000, -0.0017880800000000 ] - [ 0.0019500600000000, -0.0003619000000000, 0.0000580000000000 ] - [ 0.0018059500000000, 0.0001549000000000, -0.0001959900000000 ] - [ 0.0020872600000000, 0.0001582000000000, 0.0003020800000000 ] - [ -0.0000453900000000, -0.0000065400000000, -0.0013240900000000 ] - [ -0.0001239100000000, 0.0001397900000000, -0.0016495200000000 ] - [ 0.0000233700000000, 0.0001421000000000, -0.0010140200000000 ] - [ 0.0022334500000000, -0.0048991900000000, -0.0000592000000000 ] - [ 0.0032001300000000, 0.0012029600000000, -0.0006631600000000 ] - [ 0.0013667000000000, 0.0012014600000000, 0.0004732700000000 ] - [ 0.0003424300000000, -0.0004573300000000, -0.0012261300000000 ] - [ 0.0003332700000000, 0.0002838200000000, -0.0020770700000000 ] - [ 0.0003540200000000, 0.0002873100000000, -0.0004034000000000 ] - [ -0.0004959300000000, 0.0006598000000000, -0.0020306700000000 ] - [ -0.0006677100000000, 0.0016780100000000, 0.0008221600000000 ] - [ -0.0003444800000000, 0.0016740900000000, -0.0046810400000000 ] - [ 0.0024237900000000, -0.0043313200000000, 0.0005047700000000 ] - [ 0.0034754800000000, 0.0011388700000000, 0.0011354800000000 ] - [ 0.0014936000000000, 0.0011411400000000, -0.0000478400000000 ] - [ -0.0004770400000000, -0.0023259200000000, -0.0011465000000000 ] - [ -0.0003097600000000, 0.0018483900000000, -0.0008991500000000 ] - [ -0.0006449500000000, 0.0018315900000000, -0.0014054000000000 ] - [ 0.0026476700000000, -0.0041587300000000, 0.0004694600000000 ] - [ 0.0016505700000000, 0.0011694300000000, -0.0001909800000000 ] - [ 0.0035538400000000, 0.0011676900000000, 0.0010683600000000 ] - [ 0.0001865200000000, -0.0540108300000000, -0.0013776300000000 ] - [ 0.0001641500000000, 0.0024863600000000, -0.0016420000000000 ] - [ 0.0001012700000000, 0.0024800500000000, -0.0013705900000000 ] - [ 0.0029313000000000, -0.0003265500000000, -0.0003544700000000 ] - [ 0.0031117600000000, 0.0001562000000000, -0.0001348500000000 ] - [ 0.0027606800000000, 0.0001605600000000, -0.0005641200000000 ] - [ -0.0002813900000000, -0.0004716900000000, -0.0014264100000000 ] - [ -0.0002781400000000, 0.0002909500000000, -0.0006422400000000 ] - [ -0.0002851600000000, 0.0002953100000000, -0.0021759000000000 ] - [ 0.0014144500000000, -0.0000420700000000, -0.0001829500000000 ] - [ 0.0014376700000000, 0.0000207900000000, -0.0001858900000000 ] - [ 0.0013933000000000, 0.0000217300000000, -0.0001798000000000 ] - [ 0.0004185500000000, -0.0000923300000000, -0.0004595900000000 ] - [ 0.0004065900000000, 0.0000472800000000, -0.0002127400000000 ] - [ 0.0004303400000000, 0.0000487100000000, -0.0006963300000000 ] - [ 0.0023530200000000, -0.0002605800000000, -0.0001704200000000 ] - [ 0.0022353800000000, 0.0001086700000000, 0.0000422300000000 ] - [ 0.0024618700000000, 0.0001119800000000, -0.0003719400000000 ] - [ -0.0001236500000000, 0.0000032000000000, -0.0020728300000000 ] - [ -0.0001272800000000, 0.0001356800000000, -0.0017236800000000 ] - [ -0.0001231600000000, 0.0001379000000000, -0.0023999800000000 ] - [ 0.0024982000000000, -0.0049176800000000, 0.0001496100000000 ] - [ 0.0014549200000000, 0.0012132400000000, 0.0008333000000000 ] - [ 0.0034033600000000, 0.0012137700000000, -0.0004519100000000 ] - [ 0.0024149200000000, -0.0000553200000000, 0.0002609100000000 ] - [ 0.0023923700000000, 0.0000243400000000, 0.0002612100000000 ] - [ 0.0024343500000000, 0.0000253800000000, 0.0002606900000000 ] - [ 0.0055433300000000, 0.0105620200000000, 0.0107978100000000 ] - [ 0.0055097100000000, 0.0106624500000000, -0.0179542600000000 ] - [ 0.0055262600000000, 0.0044699900000000, -0.0034734000000000 ] - [ 0.0047128300000000, 0.0113111700000000, -0.0181710500000000 ] - [ 0.0045877800000000, 0.0113747300000000, 0.0115620100000000 ] - [ 0.0046502800000000, 0.0044162600000000, -0.0034014700000000 ] - [ 0.0049289800000000, -0.0002971400000000, -0.0023764000000000 ] - [ 0.0049649600000000, -0.0003072000000000, -0.0027851500000000 ] - [ 0.0049471100000000, 0.0006062600000000, -0.0025818300000000 ] - [ 0.0068633900000000, -0.0004538600000000, -0.0010414800000000 ] - [ 0.0069814000000000, -0.0004807300000000, -0.0003069300000000 ] - [ 0.0069229700000000, 0.0014777200000000, -0.0006693400000000 ] - [ 0.0046758100000000, -0.0011728900000000, -0.0032605300000000 ] - [ 0.0047629700000000, -0.0011970200000000, -0.0054211400000000 ] - [ 0.0047200800000000, 0.0022510000000000, -0.0043361100000000 ] - [ 0.0050798000000000, -0.0012164600000000, -0.0048094500000000 ] - [ 0.0053236600000000, -0.0012467300000000, -0.0031758600000000 ] - [ 0.0052022700000000, 0.0024305200000000, -0.0039963600000000 ] - [ 0.0068619800000000, -0.0003203700000000, 0.0041780200000000 ] - [ 0.0068922900000000, -0.0003325700000000, 0.0045551100000000 ] - [ 0.0068773300000000, 0.0006585200000000, 0.0043678300000000 ] - [ 0.0003951100000000, 0.0001095300000000, 0.0000189400000000 ] - [ 0.0004670400000000, 0.0001147900000000, 0.0001986600000000 ] - [ 0.0004320300000000, -0.0002255300000000, 0.0001098900000000 ] - [ 0.0004819100000000, 0.0005967700000000, -0.0008051900000000 ] - [ -0.0010883400000000, 0.0006185300000000, 0.0009881700000000 ] - [ -0.0003047300000000, -0.0010287500000000, 0.0000927000000000 ] - [ 0.0045909000000000, -0.0006533700000000, -0.0005258000000000 ] - [ -0.0052846200000000, -0.0005233100000000, 0.0001770700000000 ] - [ -0.0003964800000000, -0.0019759500000000, -0.0001706400000000 ] - [ -0.0008902000000000, 0.0005745600000000, -0.0010295500000000 ] - [ 0.0008201800000000, 0.0005932400000000, 0.0011337000000000 ] - [ -0.0000334900000000, -0.0009722000000000, 0.0000519100000000 ] - [ -0.0048110200000000, 0.0003047500000000, -0.0002584400000000 ] - [ 0.0035040800000000, 0.0004769600000000, 0.0003262300000000 ] - [ -0.0005811000000000, -0.0019500000000000, 0.0000377200000000 ] - [ 0.0010057500000000, 0.0005805700000000, 0.0011833300000000 ] - [ -0.0008234000000000, 0.0006063500000000, -0.0011275000000000 ] - [ 0.0000890400000000, -0.0010135600000000, 0.0000248000000000 ] - [ -0.0016338900000000, 0.0006087400000000, 0.0009543900000000 ] - [ 0.0004170600000000, 0.0006332200000000, -0.0012837000000000 ] - [ -0.0006056500000000, -0.0010404500000000, -0.0001656900000000 ] - [ -0.0094374600000000, 0.0007860800000000, -0.0032979600000000 ] - [ -0.0093967500000000, -0.0003913900000000, -0.0039974100000000 ] - [ -0.0094756500000000, -0.0004023700000000, -0.0026271900000000 ] - [ -0.0111836000000000, 0.0001387900000000, 0.0051895700000000 ] - [ -0.0111662800000000, -0.0001722200000000, 0.0051751600000000 ] - [ -0.0111965000000000, -0.0001784500000000, 0.0052014500000000 ] - [ -0.0034625500000000, 0.0002272900000000, 0.0084951200000000 ] - [ -0.0034716100000000, -0.0001112500000000, 0.0084638500000000 ] - [ -0.0034532900000000, -0.0001162900000000, 0.0085252000000000 ] - [ -0.0059741900000000, 0.0010213900000000, 0.0048922400000000 ] - [ -0.0058823800000000, -0.0006587300000000, 0.0066165700000000 ] - [ -0.0060524500000000, -0.0006717100000000, 0.0032419400000000 ] - [ -0.0063965600000000, 0.0032032100000000, 0.0057672000000000 ] - [ -0.0062477700000000, -0.0015572800000000, 0.0072066300000000 ] - [ -0.0065418000000000, -0.0015629800000000, 0.0043383900000000 ] - [ -0.0075301700000000, 0.0165094100000000, 0.0048792200000000 ] - [ -0.0077441600000000, -0.0089853100000000, 0.0067835400000000 ] - [ -0.0073045000000000, -0.0089387800000000, 0.0027963400000000 ] - [ -0.0067555500000000, 0.0006603900000000, 0.0036344700000000 ] - [ -0.0067804100000000, -0.0003275300000000, 0.0042591400000000 ] - [ -0.0067334700000000, -0.0003375400000000, 0.0030287900000000 ] - [ -0.0069700700000000, 0.0189390000000000, 0.0043056100000000 ] - [ -0.0070954000000000, -0.0096294600000000, 0.0029357200000000 ] - [ -0.0068163600000000, -0.0096019900000000, 0.0059923400000000 ] - [ -0.0087584300000000, 0.0011061100000000, 0.0025388600000000 ] - [ -0.0089498000000000, -0.0007435300000000, 0.0006554200000000 ] - [ -0.0085757600000000, -0.0007632100000000, 0.0043335600000000 ] - [ -0.0070059500000000, 0.0031719700000000, 0.0051399500000000 ] - [ -0.0068647400000000, -0.0015081700000000, 0.0035344100000000 ] - [ -0.0071360200000000, -0.0015222800000000, 0.0067447300000000 ]- atom: 52 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0004040200000000, -0.0002472000000000, -0.0012970800000000 ] - [ -0.0004040200000000, 0.0002472000000000, -0.0012970800000000 ] - [ -0.0004571800000000, 0.0000000000000000, -0.0009999500000000 ] - [ -0.0002594400000000, 0.0002916000000000, -0.0011492200000000 ] - [ -0.0002594400000000, -0.0002916000000000, -0.0011492200000000 ] - [ -0.0002027100000000, 0.0000000000000000, -0.0008525900000000 ] - [ -0.0000513100000000, 0.0002675000000000, -0.0010105500000000 ] - [ -0.0000513100000000, -0.0002675000000000, -0.0010105500000000 ] - [ -0.0000948700000000, 0.0000000000000000, -0.0006995500000000 ] - [ 0.0047428100000000, 0.0030805300000000, -0.0011174600000000 ] - [ 0.0047428100000000, -0.0030805300000000, -0.0011174600000000 ] - [ 0.0047753200000000, 0.0000000000000000, -0.0023148400000000 ] - [ 0.0093653800000000, -0.0000681800000000, -0.0015984200000000 ] - [ 0.0093653800000000, 0.0000681800000000, -0.0015984200000000 ] - [ 0.0094118300000000, 0.0000000000000000, -0.0018957700000000 ] - [ 0.0016047700000000, -0.0000252400000000, -0.0056785500000000 ] - [ 0.0016047700000000, 0.0000252400000000, -0.0056785500000000 ] - [ 0.0015698300000000, 0.0000000000000000, -0.0058956600000000 ] - [ 0.0005566700000000, 0.0000000000000000, 0.0326755600000000 ] - [ -0.0007744000000000, -0.0027258000000000, 0.0006070200000000 ] - [ -0.0007744000000000, 0.0027258000000000, 0.0006070200000000 ] - [ 0.0003991200000000, 0.0000000000000000, 0.0027779000000000 ] - [ 0.0015284000000000, -0.0005617400000000, 0.0011429600000000 ] - [ 0.0015284000000000, 0.0005617400000000, 0.0011429600000000 ] - [ -0.0002175500000000, 0.0000000000000000, 0.0045273900000000 ] - [ -0.0001704400000000, -0.0001853600000000, 0.0023515100000000 ] - [ -0.0001704400000000, 0.0001853600000000, 0.0023515100000000 ] - [ 0.0037581000000000, 0.0000000000000000, 0.0031839000000000 ] - [ 0.0025210900000000, -0.0006446500000000, 0.0011759100000000 ] - [ 0.0025210900000000, 0.0006446500000000, 0.0011759100000000 ] - [ 0.0007845900000000, 0.0000000000000000, 0.0081444200000000 ] - [ -0.0000105300000000, -0.0003140300000000, 0.0037152400000000 ] - [ -0.0000105300000000, 0.0003140300000000, 0.0037152400000000 ] - [ -0.0250214700000000, 0.0000000000000000, 0.0102791800000000 ] - [ 0.0004144500000000, -0.0016226000000000, -0.0022608300000000 ] - [ 0.0004144500000000, 0.0016226000000000, -0.0022608300000000 ] - [ -0.0008510100000000, 0.0000000000000000, 0.0034020900000000 ] - [ 0.0000108300000000, -0.0008010000000000, -0.0017255100000000 ] - [ 0.0000108300000000, 0.0008010000000000, -0.0017255100000000 ] - [ -0.0043756200000000, 0.0000000000000000, 0.0324033500000000 ] - [ -0.0004981700000000, 0.0027690100000000, -0.0002355200000000 ] - [ -0.0004981700000000, -0.0027690100000000, -0.0002355200000000 ] - [ 0.0294458700000000, 0.0000000000000000, 0.0097272700000000 ] - [ 0.0042692500000000, 0.0017309600000000, -0.0013399600000000 ] - [ 0.0042692500000000, -0.0017309600000000, -0.0013399600000000 ] - [ -0.0010422200000000, 0.0000000000000000, -0.0209175800000000 ] - [ -0.0005899700000000, -0.0002757200000000, -0.0087553900000000 ] - [ -0.0005899700000000, 0.0002757200000000, -0.0087553900000000 ] - [ 0.0244494100000000, 0.0000000000000000, 0.0085777600000000 ] - [ 0.0040183900000000, -0.0015935000000000, -0.0015481500000000 ] - [ 0.0040183900000000, 0.0015935000000000, -0.0015481500000000 ] - [ 0.0035194000000000, 0.0000000000000000, -0.2210490700000000 ] - [ 0.0000505100000000, 0.0001291200000000, -0.0144089500000000 ] - [ 0.0000505100000000, -0.0001291200000000, -0.0144089500000000 ] - [ 0.0052859900000000, 0.0000000000000000, 0.0025070500000000 ] - [ 0.0036238400000000, 0.0007623900000000, 0.0007113200000000 ] - [ 0.0036238400000000, -0.0007623900000000, 0.0007113200000000 ] - [ -0.0000365000000000, 0.0000000000000000, 0.0028140000000000 ] - [ -0.0003491100000000, 0.0008269700000000, -0.0017802000000000 ] - [ -0.0003491100000000, -0.0008269700000000, -0.0017802000000000 ] - [ 0.0016549400000000, 0.0000000000000000, 0.0018020600000000 ] - [ 0.0016028800000000, -0.0000103900000000, 0.0011230300000000 ] - [ 0.0016028800000000, 0.0000103900000000, 0.0011230300000000 ] - [ 0.0005746800000000, 0.0000000000000000, 0.0067685800000000 ] - [ 0.0005276400000000, 0.0001614300000000, 0.0042886800000000 ] - [ 0.0005276400000000, -0.0001614300000000, 0.0042886800000000 ] - [ 0.0005753300000000, 0.0000000000000000, 0.0026240000000000 ] - [ 0.0017669300000000, 0.0005114000000000, 0.0007407100000000 ] - [ 0.0017669300000000, -0.0005114000000000, 0.0007407100000000 ] - [ -0.0002247200000000, 0.0000000000000000, 0.0083173800000000 ] - [ -0.0001874500000000, 0.0003217200000000, 0.0035618700000000 ] - [ -0.0001874500000000, -0.0003217200000000, 0.0035618700000000 ] - [ -0.0236344400000000, 0.0000000000000000, 0.0071792800000000 ] - [ 0.0006944700000000, 0.0015142800000000, -0.0019272100000000 ] - [ 0.0006944700000000, -0.0015142800000000, -0.0019272100000000 ] - [ 0.0023318600000000, 0.0000000000000000, 0.0024080200000000 ] - [ 0.0022979900000000, 0.0000006700000000, 0.0016630600000000 ] - [ 0.0022979900000000, -0.0000006700000000, 0.0016630600000000 ] - [ 0.0063867600000000, 0.0278097800000000, 0.0062607700000000 ] - [ 0.0063867600000000, -0.0278097800000000, 0.0062607700000000 ] - [ 0.0059577300000000, 0.0000000000000000, -0.0059185600000000 ] - [ 0.0038401100000000, -0.0295187300000000, 0.0049539100000000 ] - [ 0.0038401100000000, 0.0295187300000000, 0.0049539100000000 ] - [ 0.0043579600000000, 0.0000000000000000, -0.0052683400000000 ] - [ 0.0047208200000000, 0.0016444200000000, -0.0011232900000000 ] - [ 0.0047208200000000, -0.0016444200000000, -0.0011232900000000 ] - [ 0.0048423900000000, 0.0000000000000000, -0.0018295500000000 ] - [ 0.0070477200000000, -0.0037575200000000, 0.0018774800000000 ] - [ 0.0070477200000000, 0.0037575200000000, 0.0018774800000000 ] - [ 0.0069114900000000, 0.0000000000000000, 0.0006952400000000 ] - [ 0.0043705400000000, 0.0042861300000000, -0.0068995600000000 ] - [ 0.0043705400000000, -0.0042861300000000, -0.0068995600000000 ] - [ 0.0046886500000000, 0.0000000000000000, -0.0061327600000000 ] - [ 0.0056689900000000, -0.0044994500000000, -0.0065146800000000 ] - [ 0.0056689900000000, 0.0044994500000000, -0.0065146800000000 ] - [ 0.0052856700000000, 0.0000000000000000, -0.0055568700000000 ] - [ 0.0069565500000000, -0.0018431500000000, 0.0056367400000000 ] - [ 0.0069565500000000, 0.0018431500000000, 0.0056367400000000 ] - [ 0.0068816100000000, 0.0000000000000000, 0.0050070800000000 ] - [ 0.0000877500000000, -0.0005646500000000, -0.0022623600000000 ] - [ 0.0000877500000000, 0.0005646500000000, -0.0022623600000000 ] - [ 0.0002343900000000, 0.0000000000000000, -0.0017006900000000 ] - [ 0.0020956100000000, -0.0036135300000000, -0.0022937600000000 ] - [ 0.0020956100000000, 0.0036135300000000, -0.0022937600000000 ] - [ 0.0003235300000000, 0.0000000000000000, 0.0000692400000000 ] - [ 0.0011504600000000, -0.0015590600000000, 0.0126171100000000 ] - [ 0.0011504600000000, 0.0015590600000000, 0.0126171100000000 ] - [ -0.0005477600000000, 0.0000000000000000, 0.0039197700000000 ] - [ -0.0024106900000000, -0.0029939700000000, -0.0021077700000000 ] - [ -0.0024106900000000, 0.0029939700000000, -0.0021077700000000 ] - [ -0.0006260400000000, 0.0000000000000000, 0.0000478600000000 ] - [ -0.0022969400000000, -0.0016649700000000, 0.0125006700000000 ] - [ -0.0022969400000000, 0.0016649700000000, 0.0125006700000000 ] - [ -0.0004112800000000, 0.0000000000000000, 0.0040448500000000 ] - [ -0.0023704400000000, 0.0039244200000000, -0.0024703500000000 ] - [ -0.0023704400000000, -0.0039244200000000, -0.0024703500000000 ] - [ -0.0004642300000000, 0.0000000000000000, 0.0002189600000000 ] - [ 0.0022136500000000, 0.0033904500000000, -0.0018544300000000 ] - [ 0.0022136500000000, -0.0033904500000000, -0.0018544300000000 ] - [ 0.0000682900000000, 0.0000000000000000, 0.0001286400000000 ] - [ -0.0090778600000000, 0.0000000000000000, -0.0119774000000000 ] - [ -0.0092958900000000, -0.0017998300000000, -0.0069915500000000 ] - [ -0.0092958900000000, 0.0017998300000000, -0.0069915500000000 ] - [ -0.0100809800000000, 0.0000000000000000, -0.0065405800000000 ] - [ -0.0104656300000000, -0.0000327900000000, -0.0023904200000000 ] - [ -0.0104656300000000, 0.0000327900000000, -0.0023904200000000 ] - [ -0.0046731400000000, 0.0000000000000000, -0.0008573500000000 ] - [ -0.0042783000000000, -0.0000087300000000, 0.0018810500000000 ] - [ -0.0042783000000000, 0.0000087300000000, 0.0018810500000000 ] - [ -0.0075343200000000, 0.0000000000000000, -0.0110111300000000 ] - [ -0.0063989000000000, 0.0022839100000000, 0.0001879900000000 ] - [ -0.0063989000000000, -0.0022839100000000, 0.0001879900000000 ] - [ -0.0051886400000000, 0.0000000000000000, 0.0162506300000000 ] - [ -0.0063008500000000, 0.0030518300000000, 0.0111970300000000 ] - [ -0.0063008500000000, -0.0030518300000000, 0.0111970300000000 ] - [ -0.0092248400000000, 0.0000000000000000, 0.0045399400000000 ] - [ -0.0069525200000000, 0.0144627500000000, 0.0124128100000000 ] - [ -0.0069525200000000, -0.0144627500000000, 0.0124128100000000 ] - [ -0.0063622100000000, 0.0000000000000000, -0.0039617400000000 ] - [ -0.0065583000000000, 0.0014891300000000, 0.0006905500000000 ] - [ -0.0065583000000000, -0.0014891300000000, 0.0006905500000000 ] - [ -0.0007264400000000, 0.0000000000000000, 0.0637979400000000 ] - [ -0.0069897300000000, -0.0149729900000000, 0.0130482800000000 ] - [ -0.0069897300000000, 0.0149729900000000, 0.0130482800000000 ] - [ -0.0105192700000000, 0.0000000000000000, -0.0156128500000000 ] - [ -0.0091412500000000, -0.0027781900000000, -0.0025880700000000 ] - [ -0.0091412500000000, 0.0027781900000000, -0.0025880700000000 ] - [ -0.0069666800000000, 0.0000000000000000, 0.0172401400000000 ] - [ -0.0068655900000000, -0.0030408200000000, 0.0114402300000000 ] - [ -0.0068655900000000, 0.0030408200000000, 0.0114402300000000 ]- atom: 52 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0006686200000000, 0.0002507200000000, 0.0011672600000000 ] - [ -0.0006686200000000, -0.0002507200000000, 0.0011672600000000 ] - [ -0.0006145200000000, 0.0000000000000000, 0.0008704800000000 ] - [ -0.0000070800000000, -0.0002888800000000, 0.0012677100000000 ] - [ -0.0000070800000000, 0.0002888800000000, 0.0012677100000000 ] - [ -0.0000629400000000, 0.0000000000000000, 0.0009720500000000 ] - [ -0.0002592700000000, -0.0002650200000000, 0.0016345300000000 ] - [ -0.0002592700000000, 0.0002650200000000, 0.0016345300000000 ] - [ -0.0002165700000000, 0.0000000000000000, 0.0013243100000000 ] - [ 0.0042290400000000, -0.0031208100000000, -0.0062967600000000 ] - [ 0.0042290400000000, 0.0031208100000000, -0.0062967600000000 ] - [ 0.0041974700000000, 0.0000000000000000, -0.0050856500000000 ] - [ 0.0099075400000000, 0.0000584300000000, -0.0052953300000000 ] - [ 0.0099075400000000, -0.0000584300000000, -0.0052953300000000 ] - [ 0.0098609700000000, 0.0000000000000000, -0.0049973400000000 ] - [ 0.0011531900000000, 0.0000181600000000, -0.0087546300000000 ] - [ 0.0011531900000000, -0.0000181600000000, -0.0087546300000000 ] - [ 0.0011878800000000, 0.0000000000000000, -0.0085371200000000 ] - [ -0.0018559700000000, 0.0000000000000000, -0.0358073300000000 ] - [ -0.0005191200000000, 0.0027405100000000, -0.0031998800000000 ] - [ -0.0005191200000000, -0.0027405100000000, -0.0031998800000000 ] - [ 0.0035749600000000, 0.0000000000000000, -0.0022805300000000 ] - [ 0.0024196400000000, 0.0005670200000000, -0.0006275400000000 ] - [ 0.0024196400000000, -0.0005670200000000, -0.0006275400000000 ] - [ -0.0004183200000000, 0.0000000000000000, -0.0084977800000000 ] - [ -0.0004682900000000, 0.0001877500000000, -0.0063100700000000 ] - [ -0.0004682900000000, -0.0001877500000000, -0.0063100700000000 ] - [ 0.0001133400000000, 0.0000000000000000, -0.0030888400000000 ] - [ 0.0013674900000000, 0.0006496500000000, -0.0010622600000000 ] - [ 0.0013674900000000, -0.0006496500000000, -0.0010622600000000 ] - [ -0.0008973900000000, 0.0000000000000000, -0.0108481300000000 ] - [ -0.0000897100000000, 0.0003191200000000, -0.0063808600000000 ] - [ -0.0000897100000000, -0.0003191200000000, -0.0063808600000000 ] - [ 0.0300137800000000, 0.0000000000000000, -0.0104273500000000 ] - [ 0.0041655100000000, 0.0016159100000000, 0.0021042600000000 ] - [ 0.0041655100000000, -0.0016159100000000, 0.0021042600000000 ] - [ 0.0015615500000000, 0.0000000000000000, -0.0058644900000000 ] - [ 0.0006796500000000, 0.0008047500000000, -0.0007055800000000 ] - [ 0.0006796500000000, -0.0008047500000000, -0.0007055800000000 ] - [ 0.0033046400000000, 0.0000000000000000, -0.0358465800000000 ] - [ -0.0005141600000000, -0.0027683900000000, -0.0036859000000000 ] - [ -0.0005141600000000, 0.0027683900000000, -0.0036859000000000 ] - [ -0.0241546300000000, 0.0000000000000000, -0.0087394400000000 ] - [ 0.0007058900000000, -0.0017400800000000, 0.0024010800000000 ] - [ 0.0007058900000000, 0.0017400800000000, 0.0024010800000000 ] - [ 0.0001124100000000, 0.0000000000000000, 0.0186271000000000 ] - [ -0.0003702200000000, 0.0002351800000000, 0.0064483200000000 ] - [ -0.0003702200000000, -0.0002351800000000, 0.0064483200000000 ] - [ -0.0194128700000000, 0.0000000000000000, -0.0076596300000000 ] - [ 0.0011838400000000, 0.0015858500000000, 0.0024606100000000 ] - [ 0.0011838400000000, -0.0015858500000000, 0.0024606100000000 ] - [ -0.0036373100000000, 0.0000000000000000, 0.2153290500000000 ] - [ 0.0002104500000000, -0.0001432100000000, 0.0114015900000000 ] - [ 0.0002104500000000, 0.0001432100000000, 0.0114015900000000 ] - [ 0.0006238100000000, 0.0000000000000000, -0.0032078300000000 ] - [ 0.0022525800000000, -0.0007592400000000, -0.0014218100000000 ] - [ 0.0022525800000000, 0.0007592400000000, -0.0014218100000000 ] - [ -0.0005085900000000, 0.0000000000000000, -0.0056951300000000 ] - [ -0.0002142600000000, -0.0008265500000000, -0.0010839900000000 ] - [ -0.0002142600000000, 0.0008265500000000, -0.0010839900000000 ] - [ 0.0011817600000000, 0.0000000000000000, -0.0021710200000000 ] - [ 0.0012305500000000, 0.0000116000000000, -0.0014902900000000 ] - [ 0.0012305500000000, -0.0000116000000000, -0.0014902900000000 ] - [ 0.0002662100000000, 0.0000000000000000, -0.0076943700000000 ] - [ 0.0003105300000000, -0.0001601600000000, -0.0052185100000000 ] - [ 0.0003105300000000, 0.0001601600000000, -0.0052185100000000 ] - [ 0.0040997400000000, 0.0000000000000000, -0.0029541400000000 ] - [ 0.0029268000000000, -0.0005088200000000, -0.0010804100000000 ] - [ 0.0029268000000000, 0.0005088200000000, -0.0010804100000000 ] - [ -0.0000266800000000, 0.0000000000000000, -0.0124310700000000 ] - [ -0.0000630700000000, -0.0003180200000000, -0.0077031800000000 ] - [ -0.0000630700000000, 0.0003180200000000, -0.0077031800000000 ] - [ 0.0284167700000000, 0.0000000000000000, -0.0069415100000000 ] - [ 0.0041614200000000, -0.0015272200000000, 0.0022780800000000 ] - [ 0.0041614200000000, 0.0015272200000000, 0.0022780800000000 ] - [ 0.0024903100000000, 0.0000000000000000, -0.0018910600000000 ] - [ 0.0025272200000000, 0.0000008300000000, -0.0011439200000000 ] - [ 0.0025272200000000, -0.0000008300000000, -0.0011439200000000 ] - [ 0.0046543400000000, -0.0281263600000000, -0.0131608800000000 ] - [ 0.0046543400000000, 0.0281263600000000, -0.0131608800000000 ] - [ 0.0050922200000000, 0.0000000000000000, -0.0010054200000000 ] - [ 0.0054523800000000, 0.0293092800000000, -0.0118809100000000 ] - [ 0.0054523800000000, -0.0293092800000000, -0.0118809100000000 ] - [ 0.0049401200000000, 0.0000000000000000, -0.0015551000000000 ] - [ 0.0051743400000000, -0.0016601800000000, -0.0040338200000000 ] - [ 0.0051743400000000, 0.0016601800000000, -0.0040338200000000 ] - [ 0.0050510900000000, 0.0000000000000000, -0.0033253100000000 ] - [ 0.0067971600000000, 0.0037198500000000, -0.0032211200000000 ] - [ 0.0067971600000000, -0.0037198500000000, -0.0032211200000000 ] - [ 0.0069326600000000, 0.0000000000000000, -0.0020486000000000 ] - [ 0.0050761400000000, -0.0043048600000000, -0.0017235700000000 ] - [ 0.0050761400000000, 0.0043048600000000, -0.0017235700000000 ] - [ 0.0047524200000000, 0.0000000000000000, -0.0025195300000000 ] - [ 0.0047432700000000, 0.0045019300000000, -0.0015147300000000 ] - [ 0.0047432700000000, -0.0045019300000000, -0.0015147300000000 ] - [ 0.0051206400000000, 0.0000000000000000, -0.0024535500000000 ] - [ 0.0067997000000000, 0.0018339500000000, 0.0030862300000000 ] - [ 0.0067997000000000, -0.0018339500000000, 0.0030862300000000 ] - [ 0.0068739600000000, 0.0000000000000000, 0.0037170400000000 ] - [ 0.0007805100000000, 0.0005723700000000, 0.0024832200000000 ] - [ 0.0007805100000000, -0.0005723700000000, 0.0024832200000000 ] - [ 0.0006318200000000, 0.0000000000000000, 0.0019176700000000 ] - [ -0.0027245700000000, 0.0036446100000000, 0.0024609800000000 ] - [ -0.0027245700000000, -0.0036446100000000, 0.0024609800000000 ] - [ -0.0009350200000000, 0.0000000000000000, 0.0000940300000000 ] - [ -0.0017545400000000, 0.0013779100000000, -0.0130015400000000 ] - [ -0.0017545400000000, -0.0013779100000000, -0.0130015400000000 ] - [ -0.0002502700000000, 0.0000000000000000, -0.0042689600000000 ] - [ 0.0023626900000000, 0.0030180700000000, 0.0021853200000000 ] - [ 0.0023626900000000, -0.0030180700000000, 0.0021853200000000 ] - [ 0.0005608100000000, 0.0000000000000000, 0.0000335400000000 ] - [ 0.0009534500000000, 0.0014595600000000, -0.0124687900000000 ] - [ 0.0009534500000000, -0.0014595600000000, -0.0124687900000000 ] - [ -0.0007463800000000, 0.0000000000000000, -0.0039781000000000 ] - [ 0.0025373800000000, -0.0039039200000000, 0.0025487700000000 ] - [ 0.0025373800000000, 0.0039039200000000, 0.0025487700000000 ] - [ 0.0006417900000000, 0.0000000000000000, -0.0001470300000000 ] - [ -0.0034113000000000, -0.0033769700000000, 0.0015593500000000 ] - [ -0.0034113000000000, 0.0033769700000000, 0.0015593500000000 ] - [ -0.0012797200000000, 0.0000000000000000, -0.0004389700000000 ] - [ -0.0098053200000000, 0.0000000000000000, 0.0054000100000000 ] - [ -0.0095806800000000, 0.0017924900000000, 0.0004089200000000 ] - [ -0.0095806800000000, -0.0017924900000000, 0.0004089200000000 ] - [ -0.0122834500000000, 0.0000000000000000, 0.0169388500000000 ] - [ -0.0118997400000000, 0.0000248700000000, 0.0127806700000000 ] - [ -0.0118997400000000, -0.0000248700000000, 0.0127806700000000 ] - [ -0.0022511000000000, 0.0000000000000000, 0.0178620900000000 ] - [ -0.0026455900000000, 0.0000027000000000, 0.0151188400000000 ] - [ -0.0026455900000000, -0.0000027000000000, 0.0151188400000000 ] - [ -0.0043903500000000, 0.0000000000000000, 0.0209750700000000 ] - [ -0.0055400100000000, -0.0023126200000000, 0.0096434700000000 ] - [ -0.0055400100000000, 0.0023126200000000, 0.0096434700000000 ] - [ -0.0077076900000000, 0.0000000000000000, -0.0047957100000000 ] - [ -0.0064970600000000, -0.0030454200000000, 0.0002670600000000 ] - [ -0.0064970600000000, 0.0030454200000000, 0.0002670600000000 ] - [ -0.0057984000000000, 0.0000000000000000, 0.0011591300000000 ] - [ -0.0080985200000000, -0.0145222200000000, -0.0029117300000000 ] - [ -0.0080985200000000, 0.0145222200000000, -0.0029117300000000 ] - [ -0.0071587400000000, 0.0000000000000000, 0.0112473700000000 ] - [ -0.0069562100000000, -0.0015018500000000, 0.0065680400000000 ] - [ -0.0069562100000000, 0.0015018500000000, 0.0065680400000000 ] - [ -0.0130785600000000, 0.0000000000000000, -0.0476626200000000 ] - [ -0.0069213400000000, 0.0149772700000000, -0.0040568200000000 ] - [ -0.0069213400000000, -0.0149772700000000, -0.0040568200000000 ] - [ -0.0070182900000000, 0.0000000000000000, 0.0205284500000000 ] - [ -0.0083814800000000, 0.0027530200000000, 0.0076242500000000 ] - [ -0.0083814800000000, -0.0027530200000000, 0.0076242500000000 ] - [ -0.0071713500000000, 0.0000000000000000, -0.0068748700000000 ] - [ -0.0071392200000000, 0.0030562400000000, -0.0010917800000000 ] - [ -0.0071392200000000, -0.0030562400000000, -0.0010917800000000 ]- atom: 55 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0002701900000000, -0.0000134100000000, -0.0000845900000000 ] - [ -0.0002701900000000, 0.0000134100000000, -0.0000845900000000 ] - [ -0.0003954900000000, 0.0000000000000000, -0.0000740600000000 ] - [ 0.0038114500000000, 0.0004526400000000, -0.0001642800000000 ] - [ 0.0038114500000000, -0.0004526400000000, -0.0001642800000000 ] - [ 0.0004744400000000, 0.0000000000000000, 0.0001639600000000 ] - [ -0.0026604100000000, 0.0002490200000000, 0.0002607500000000 ] - [ -0.0026604100000000, -0.0002490200000000, 0.0002607500000000 ] - [ -0.0006550100000000, 0.0000000000000000, 0.0002657400000000 ] - [ 0.0045242800000000, 0.0000995800000000, -0.0037951700000000 ] - [ 0.0045242800000000, -0.0000995800000000, -0.0037951700000000 ] - [ 0.0045112900000000, 0.0000000000000000, -0.0037711000000000 ] - [ 0.0099829800000000, 0.0016244200000000, -0.0045636000000000 ] - [ 0.0099829800000000, -0.0016244200000000, -0.0045636000000000 ] - [ 0.0098639400000000, 0.0000000000000000, -0.0038768100000000 ] - [ 0.0015139700000000, -0.0019219600000000, -0.0058764200000000 ] - [ 0.0015139700000000, 0.0019219600000000, -0.0058764200000000 ] - [ 0.0014453300000000, 0.0000000000000000, -0.0067646100000000 ] - [ -0.0005591500000000, 0.0000000000000000, -0.0011366300000000 ] - [ -0.0006258500000000, -0.0000221200000000, -0.0012410600000000 ] - [ -0.0006258500000000, 0.0000221200000000, -0.0012410600000000 ] - [ 0.0015060300000000, 0.0000000000000000, 0.0002437800000000 ] - [ 0.0017323800000000, 0.0000001200000000, 0.0002630100000000 ] - [ 0.0017323800000000, -0.0000001200000000, 0.0002630100000000 ] - [ 0.0001243400000000, 0.0000000000000000, 0.0011092700000000 ] - [ -0.0002480700000000, 0.0001997600000000, -0.0012205400000000 ] - [ -0.0002480700000000, -0.0001997600000000, -0.0012205400000000 ] - [ 0.0023761000000000, 0.0000000000000000, 0.0001191100000000 ] - [ 0.0021610300000000, 0.0000047600000000, 0.0000825300000000 ] - [ 0.0021610300000000, -0.0000047600000000, 0.0000825300000000 ] - [ 0.0007196500000000, 0.0000000000000000, -0.0035811800000000 ] - [ 0.0001007400000000, -0.0001491000000000, -0.0020021700000000 ] - [ 0.0001007400000000, 0.0001491000000000, -0.0020021700000000 ] - [ 0.0019606200000000, 0.0000000000000000, -0.0000504700000000 ] - [ 0.0020717900000000, -0.0000060500000000, -0.0000773700000000 ] - [ 0.0020717900000000, 0.0000060500000000, -0.0000773700000000 ] - [ 0.0002491800000000, 0.0000000000000000, -0.0011222000000000 ] - [ 0.0003070700000000, 0.0000229400000000, -0.0011825100000000 ] - [ 0.0003070700000000, -0.0000229400000000, -0.0011825100000000 ] - [ 0.0184550400000000, 0.0000000000000000, 0.0281162400000000 ] - [ -0.0001551600000000, -0.0010887600000000, 0.0003535800000000 ] - [ -0.0001551600000000, 0.0010887600000000, 0.0003535800000000 ] - [ -0.0029722700000000, 0.0000000000000000, 0.0004534000000000 ] - [ 0.0014678200000000, 0.0001216100000000, 0.0004663900000000 ] - [ 0.0014678200000000, -0.0001216100000000, 0.0004663900000000 ] - [ -0.0004452400000000, 0.0000000000000000, -0.0032119100000000 ] - [ -0.0005211900000000, 0.0001764300000000, -0.0017444700000000 ] - [ -0.0005211900000000, -0.0001764300000000, -0.0017444700000000 ] - [ 0.0029325100000000, 0.0000000000000000, 0.0004813400000000 ] - [ 0.0028003200000000, 0.0000051100000000, 0.0004518600000000 ] - [ 0.0028003200000000, -0.0000051100000000, 0.0004518600000000 ] - [ 0.0006338800000000, 0.0000000000000000, 0.0008109400000000 ] - [ 0.0001839900000000, -0.0001744700000000, -0.0008207100000000 ] - [ 0.0001839900000000, 0.0001744700000000, -0.0008207100000000 ] - [ -0.2311583200000000, 0.0000000000000000, -0.0052584300000000 ] - [ -0.0038439500000000, -0.0000423100000000, -0.0003039300000000 ] - [ -0.0038439500000000, 0.0000423100000000, -0.0003039300000000 ] - [ 0.0212725300000000, 0.0000000000000000, -0.0317997600000000 ] - [ -0.0002169400000000, 0.0012863700000000, -0.0034337800000000 ] - [ -0.0002169400000000, -0.0012863700000000, -0.0034337800000000 ] - [ -0.0041744100000000, 0.0000000000000000, -0.0002728600000000 ] - [ 0.0001964000000000, 0.0000291500000000, -0.0002093200000000 ] - [ 0.0001964000000000, -0.0000291500000000, -0.0002093200000000 ] - [ 0.0092656800000000, 0.0000000000000000, 0.0286495600000000 ] - [ 0.0000757100000000, 0.0012076100000000, 0.0014226200000000 ] - [ 0.0000757100000000, -0.0012076100000000, 0.0014226200000000 ] - [ 0.0870554000000000, 0.0000000000000000, -0.0019932100000000 ] - [ 0.0095158100000000, 0.0004688900000000, -0.0002802200000000 ] - [ 0.0095158100000000, -0.0004688900000000, -0.0002802200000000 ] - [ 0.0076581500000000, 0.0000000000000000, -0.0275597700000000 ] - [ -0.0002121500000000, -0.0010301200000000, -0.0042781100000000 ] - [ -0.0002121500000000, 0.0010301200000000, -0.0042781100000000 ] - [ 0.0097150300000000, 0.0000000000000000, -0.0002731300000000 ] - [ 0.0034460500000000, 0.0000239500000000, 0.0001929900000000 ] - [ 0.0034460500000000, -0.0000239500000000, 0.0001929900000000 ] - [ 0.0088944500000000, 0.0000000000000000, 0.0005141900000000 ] - [ 0.0036018000000000, 0.0000397900000000, 0.0002741600000000 ] - [ 0.0036018000000000, -0.0000397900000000, 0.0002741600000000 ] - [ 0.0055477600000000, 0.0001091500000000, -0.0033228200000000 ] - [ 0.0055477600000000, -0.0001091500000000, -0.0033228200000000 ] - [ 0.0055444200000000, 0.0000000000000000, -0.0033488300000000 ] - [ 0.0046935600000000, 0.0017749800000000, -0.0021288600000000 ] - [ 0.0046935600000000, -0.0017749800000000, -0.0021288600000000 ] - [ 0.0046805900000000, 0.0000000000000000, -0.0029082300000000 ] - [ 0.0049252900000000, -0.0001285100000000, -0.0024178900000000 ] - [ 0.0049252900000000, 0.0001285100000000, -0.0024178900000000 ] - [ 0.0049303200000000, 0.0000000000000000, -0.0024625800000000 ] - [ 0.0193239600000000, 0.0283679000000000, -0.0011059100000000 ] - [ 0.0193239600000000, -0.0283679000000000, -0.0011059100000000 ] - [ 0.0076945800000000, 0.0000000000000000, -0.0006116700000000 ] - [ 0.0047063600000000, -0.0000845900000000, -0.0044362300000000 ] - [ 0.0047063600000000, 0.0000845900000000, -0.0044362300000000 ] - [ 0.0047091200000000, 0.0000000000000000, -0.0044184500000000 ] - [ 0.0050405900000000, -0.0017642200000000, -0.0053922000000000 ] - [ 0.0050405900000000, 0.0017642200000000, -0.0053922000000000 ] - [ 0.0050945900000000, 0.0000000000000000, -0.0044207800000000 ] - [ 0.0203555300000000, -0.0301095400000000, 0.0051831500000000 ] - [ 0.0203555300000000, 0.0301095400000000, 0.0051831500000000 ] - [ 0.0065803900000000, 0.0000000000000000, 0.0039253100000000 ] - [ -0.0002586800000000, 0.0000575700000000, 0.0000414400000000 ] - [ -0.0002586800000000, -0.0000575700000000, 0.0000414400000000 ] - [ 0.0000510900000000, 0.0000000000000000, 0.0000894000000000 ] - [ -0.0001520500000000, -0.0000094400000000, 0.0000720800000000 ] - [ -0.0001520500000000, 0.0000094400000000, 0.0000720800000000 ] - [ -0.0001816700000000, 0.0000000000000000, 0.0000734800000000 ] - [ 0.0001976000000000, -0.0000660400000000, -0.0002026100000000 ] - [ 0.0001976000000000, 0.0000660400000000, -0.0002026100000000 ] - [ -0.0000587000000000, 0.0000000000000000, -0.0001839900000000 ] - [ -0.0001783600000000, 0.0000036900000000, 0.0000156900000000 ] - [ -0.0001783600000000, -0.0000036900000000, 0.0000156900000000 ] - [ -0.0001511700000000, 0.0000000000000000, 0.0000242700000000 ] - [ -0.0011565800000000, 0.0000608600000000, 0.0000915500000000 ] - [ -0.0011565800000000, -0.0000608600000000, 0.0000915500000000 ] - [ -0.0009063800000000, 0.0000000000000000, 0.0000341400000000 ] - [ 0.0094198600000000, 0.0012798100000000, 0.0010258300000000 ] - [ 0.0094198600000000, -0.0012798100000000, 0.0010258300000000 ] - [ 0.0011446400000000, 0.0000000000000000, -0.0001687500000000 ] - [ -0.0075502000000000, 0.0003456800000000, 0.0000794900000000 ] - [ -0.0075502000000000, -0.0003456800000000, 0.0000794900000000 ] - [ -0.0019080700000000, 0.0000000000000000, -0.0000731500000000 ] - [ -0.0082752500000000, 0.0000000000000000, 0.0022797200000000 ] - [ -0.0091739600000000, -0.0166585800000000, -0.0029751200000000 ] - [ -0.0091739600000000, 0.0166585800000000, -0.0029751200000000 ] - [ -0.0131876600000000, 0.0000000000000000, 0.0197662000000000 ] - [ -0.0113641400000000, 0.0011303300000000, 0.0071497300000000 ] - [ -0.0113641400000000, -0.0011303300000000, 0.0071497300000000 ] - [ -0.0056566800000000, 0.0000000000000000, -0.0075391500000000 ] - [ -0.0036549800000000, -0.0014975200000000, 0.0065821000000000 ] - [ -0.0036549800000000, 0.0014975200000000, 0.0065821000000000 ] - [ -0.0058604100000000, 0.0000000000000000, 0.0056212300000000 ] - [ -0.0058988500000000, 0.0000538900000000, 0.0052041100000000 ] - [ -0.0058988500000000, -0.0000538900000000, 0.0052041100000000 ] - [ -0.0063382300000000, 0.0000000000000000, 0.0062907000000000 ] - [ -0.0063922400000000, -0.0000451700000000, 0.0060221700000000 ] - [ -0.0063922400000000, 0.0000451700000000, 0.0060221700000000 ] - [ -0.0075362200000000, 0.0000000000000000, 0.0039280700000000 ] - [ -0.0075082700000000, 0.0000607200000000, 0.0043931900000000 ] - [ -0.0075082700000000, -0.0000607200000000, 0.0043931900000000 ] - [ -0.0066197300000000, 0.0000000000000000, 0.0025999400000000 ] - [ -0.0067124500000000, -0.0000766300000000, 0.0032136300000000 ] - [ -0.0067124500000000, 0.0000766300000000, 0.0032136300000000 ] - [ -0.0063032200000000, 0.0000000000000000, -0.0110091900000000 ] - [ -0.0067727900000000, 0.0010011500000000, 0.0028443200000000 ] - [ -0.0067727900000000, -0.0010011500000000, 0.0028443200000000 ] - [ 0.0192317200000000, 0.0000000000000000, -0.0009869100000000 ] - [ -0.0082792800000000, 0.0145380800000000, 0.0024025500000000 ] - [ -0.0082792800000000, -0.0145380800000000, 0.0024025500000000 ] - [ -0.0070869000000000, 0.0000000000000000, 0.0205374400000000 ] - [ -0.0070698300000000, -0.0010939700000000, 0.0065611300000000 ] - [ -0.0070698300000000, 0.0010939700000000, 0.0065611300000000 ]- atom: 55 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0008009800000000, 0.0000139500000000, -0.0000470300000000 ] - [ -0.0008009800000000, -0.0000139500000000, -0.0000470300000000 ] - [ -0.0006757800000000, 0.0000000000000000, -0.0000562900000000 ] - [ -0.0040776400000000, -0.0005531700000000, 0.0003912100000000 ] - [ -0.0040776400000000, 0.0005531700000000, 0.0003912100000000 ] - [ -0.0007410200000000, 0.0000000000000000, -0.0000468800000000 ] - [ 0.0023466900000000, -0.0002382000000000, 0.0003461200000000 ] - [ 0.0023466900000000, 0.0002382000000000, 0.0003461200000000 ] - [ 0.0003431700000000, 0.0000000000000000, 0.0003522200000000 ] - [ 0.0044497900000000, -0.0001030700000000, -0.0036028300000000 ] - [ 0.0044497900000000, 0.0001030700000000, -0.0036028300000000 ] - [ 0.0044634300000000, 0.0000000000000000, -0.0036264900000000 ] - [ 0.0092917900000000, -0.0016252600000000, -0.0023268200000000 ] - [ 0.0092917900000000, 0.0016252600000000, -0.0023268200000000 ] - [ 0.0094081900000000, 0.0000000000000000, -0.0030109800000000 ] - [ 0.0012410400000000, 0.0019152000000000, -0.0085535200000000 ] - [ 0.0012410400000000, -0.0019152000000000, -0.0085535200000000 ] - [ 0.0013120000000000, 0.0000000000000000, -0.0076645500000000 ] - [ -0.0007340900000000, 0.0000000000000000, -0.0014653600000000 ] - [ -0.0006684000000000, 0.0000229600000000, -0.0013567800000000 ] - [ -0.0006684000000000, -0.0000229600000000, -0.0013567800000000 ] - [ 0.0024367000000000, 0.0000000000000000, 0.0002704200000000 ] - [ 0.0022059200000000, 0.0000004200000000, 0.0002512600000000 ] - [ 0.0022059200000000, -0.0000004200000000, 0.0002512600000000 ] - [ -0.0007572100000000, 0.0000000000000000, -0.0050454000000000 ] - [ -0.0003908300000000, -0.0001990900000000, -0.0027329400000000 ] - [ -0.0003908300000000, 0.0001990900000000, -0.0027329400000000 ] - [ 0.0015172300000000, 0.0000000000000000, -0.0000064800000000 ] - [ 0.0017331400000000, -0.0000040800000000, 0.0000289900000000 ] - [ 0.0017331400000000, 0.0000040800000000, 0.0000289900000000 ] - [ -0.0008180400000000, 0.0000000000000000, 0.0009376100000000 ] - [ -0.0002005200000000, 0.0001495500000000, -0.0006490900000000 ] - [ -0.0002005200000000, -0.0001495500000000, -0.0006490900000000 ] - [ 0.0025978800000000, 0.0000000000000000, -0.0001346900000000 ] - [ 0.0024860000000000, 0.0000071100000000, -0.0001036200000000 ] - [ 0.0024860000000000, -0.0000071100000000, -0.0001036200000000 ] - [ 0.0004383400000000, 0.0000000000000000, -0.0013416700000000 ] - [ 0.0003795800000000, -0.0000222500000000, -0.0012792200000000 ] - [ 0.0003795800000000, 0.0000222500000000, -0.0012792200000000 ] - [ -0.0194511800000000, 0.0000000000000000, -0.0324812000000000 ] - [ -0.0008407900000000, 0.0010861000000000, -0.0042724700000000 ] - [ -0.0008407900000000, -0.0010861000000000, -0.0042724700000000 ] - [ 0.0079575200000000, 0.0000000000000000, 0.0006543500000000 ] - [ 0.0035044000000000, -0.0001610300000000, 0.0006518000000000 ] - [ 0.0035044000000000, 0.0001610300000000, 0.0006518000000000 ] - [ -0.0005114300000000, 0.0000000000000000, 0.0008777900000000 ] - [ -0.0004380400000000, -0.0001753000000000, -0.0005614100000000 ] - [ -0.0004380400000000, 0.0001753000000000, -0.0005614100000000 ] - [ 0.0022803700000000, 0.0000000000000000, 0.0004009700000000 ] - [ 0.0024099600000000, -0.0000039900000000, 0.0004342700000000 ] - [ 0.0024099600000000, 0.0000039900000000, 0.0004342700000000 ] - [ -0.0003619600000000, 0.0000000000000000, -0.0038507000000000 ] - [ 0.0000822900000000, 0.0001765000000000, -0.0021908400000000 ] - [ 0.0000822900000000, -0.0001765000000000, -0.0021908400000000 ] - [ 0.2375802600000000, 0.0000000000000000, 0.0029813500000000 ] - [ 0.0097270800000000, 0.0000337700000000, -0.0004188300000000 ] - [ 0.0097270800000000, -0.0000337700000000, -0.0004188300000000 ] - [ -0.0217167000000000, 0.0000000000000000, 0.0284503700000000 ] - [ -0.0003623500000000, -0.0012915200000000, 0.0005824000000000 ] - [ -0.0003623500000000, 0.0012915200000000, 0.0005824000000000 ] - [ 0.0069995100000000, 0.0000000000000000, -0.0000915800000000 ] - [ 0.0026344000000000, -0.0000301200000000, -0.0001557500000000 ] - [ 0.0026344000000000, 0.0000301200000000, -0.0001557500000000 ] - [ -0.0085415700000000, 0.0000000000000000, -0.0292764300000000 ] - [ 0.0007535700000000, -0.0012102700000000, -0.0023284600000000 ] - [ 0.0007535700000000, 0.0012102700000000, -0.0023284600000000 ] - [ -0.0819107300000000, 0.0000000000000000, 0.0016190200000000 ] - [ -0.0048090900000000, -0.0004534300000000, -0.0000557500000000 ] - [ -0.0048090900000000, 0.0004534300000000, -0.0000557500000000 ] - [ -0.0077569200000000, 0.0000000000000000, 0.0235935600000000 ] - [ -0.0000322200000000, 0.0010287000000000, 0.0001617200000000 ] - [ -0.0000322200000000, -0.0010287000000000, 0.0001617200000000 ] - [ -0.0048355300000000, 0.0000000000000000, 0.0006040800000000 ] - [ 0.0014135600000000, -0.0000220900000000, 0.0001765700000000 ] - [ 0.0014135600000000, 0.0000220900000000, 0.0001765700000000 ] - [ -0.0040505500000000, 0.0000000000000000, 0.0000136100000000 ] - [ 0.0012238400000000, -0.0000390000000000, 0.0002501400000000 ] - [ 0.0012238400000000, 0.0000390000000000, 0.0002501400000000 ] - [ 0.0055059800000000, -0.0001139500000000, -0.0036110400000000 ] - [ 0.0055059800000000, 0.0001139500000000, -0.0036110400000000 ] - [ 0.0055093300000000, 0.0000000000000000, -0.0035839000000000 ] - [ 0.0046306300000000, -0.0017917300000000, -0.0046776700000000 ] - [ 0.0046306300000000, 0.0017917300000000, -0.0046776700000000 ] - [ 0.0046254000000000, 0.0000000000000000, -0.0039095400000000 ] - [ 0.0049677300000000, 0.0001262300000000, -0.0027401600000000 ] - [ 0.0049677300000000, -0.0001262300000000, -0.0027401600000000 ] - [ 0.0049630500000000, 0.0000000000000000, -0.0026959500000000 ] - [ -0.0053596400000000, -0.0287031100000000, -0.0002411900000000 ] - [ -0.0053596400000000, 0.0287031100000000, -0.0002411900000000 ] - [ 0.0061569300000000, 0.0000000000000000, -0.0007382100000000 ] - [ 0.0047317000000000, 0.0000805000000000, -0.0042306400000000 ] - [ 0.0047317000000000, -0.0000805000000000, -0.0042306400000000 ] - [ 0.0047290100000000, 0.0000000000000000, -0.0042475900000000 ] - [ 0.0053377300000000, 0.0017454900000000, -0.0025965800000000 ] - [ 0.0053377300000000, -0.0017454900000000, -0.0025965800000000 ] - [ 0.0053032400000000, 0.0000000000000000, -0.0035799800000000 ] - [ -0.0066416500000000, 0.0297714300000000, 0.0035554600000000 ] - [ -0.0066416500000000, -0.0297714300000000, 0.0035554600000000 ] - [ 0.0071779600000000, 0.0000000000000000, 0.0048029800000000 ] - [ 0.0011207500000000, -0.0000554300000000, 0.0001738100000000 ] - [ 0.0011207500000000, 0.0000554300000000, 0.0001738100000000 ] - [ 0.0008113100000000, 0.0000000000000000, 0.0001260300000000 ] - [ -0.0004541400000000, 0.0000098000000000, 0.0001042800000000 ] - [ -0.0004541400000000, -0.0000098000000000, 0.0001042800000000 ] - [ -0.0004239300000000, 0.0000000000000000, 0.0001029800000000 ] - [ -0.0009891000000000, 0.0000701900000000, -0.0001462300000000 ] - [ -0.0009891000000000, -0.0000701900000000, -0.0001462300000000 ] - [ -0.0007333100000000, 0.0000000000000000, -0.0001636900000000 ] - [ 0.0001058500000000, -0.0000014400000000, 0.0000795700000000 ] - [ 0.0001058500000000, 0.0000014400000000, 0.0000795700000000 ] - [ 0.0000788700000000, 0.0000000000000000, 0.0000705100000000 ] - [ -0.0000072900000000, -0.0000535300000000, -0.0000133000000000 ] - [ -0.0000072900000000, 0.0000535300000000, -0.0000133000000000 ] - [ -0.0002577500000000, 0.0000000000000000, 0.0000410900000000 ] - [ -0.0092311100000000, -0.0015083100000000, -0.0011673300000000 ] - [ -0.0092311100000000, 0.0015083100000000, -0.0011673300000000 ] - [ -0.0009659100000000, 0.0000000000000000, 0.0002389100000000 ] - [ 0.0063340800000000, -0.0003067800000000, -0.0003753700000000 ] - [ 0.0063340800000000, 0.0003067800000000, -0.0003753700000000 ] - [ 0.0006947300000000, 0.0000000000000000, -0.0002393000000000 ] - [ -0.0048033900000000, 0.0000000000000000, -0.0078052900000000 ] - [ -0.0096848900000000, 0.0166037900000000, -0.0036242100000000 ] - [ -0.0096848900000000, -0.0166037900000000, -0.0036242100000000 ] - [ -0.0091883400000000, 0.0000000000000000, -0.0093926400000000 ] - [ -0.0110028100000000, -0.0011280300000000, 0.0032179000000000 ] - [ -0.0110028100000000, 0.0011280300000000, 0.0032179000000000 ] - [ -0.0012796100000000, 0.0000000000000000, 0.0244791600000000 ] - [ -0.0032674400000000, 0.0014961100000000, 0.0104032500000000 ] - [ -0.0032674400000000, -0.0014961100000000, 0.0104032500000000 ] - [ -0.0060835100000000, 0.0000000000000000, 0.0042030000000000 ] - [ -0.0060381200000000, -0.0000577100000000, 0.0046233700000000 ] - [ -0.0060381200000000, 0.0000577100000000, 0.0046233700000000 ] - [ -0.0064543800000000, 0.0000000000000000, 0.0052452700000000 ] - [ -0.0063972700000000, 0.0000404400000000, 0.0054966100000000 ] - [ -0.0063972700000000, -0.0000404400000000, 0.0054966100000000 ] - [ -0.0075097400000000, 0.0000000000000000, 0.0056209800000000 ] - [ -0.0075380200000000, -0.0000621500000000, 0.0051470200000000 ] - [ -0.0075380200000000, 0.0000621500000000, 0.0051470200000000 ] - [ -0.0068927500000000, 0.0000000000000000, 0.0046684700000000 ] - [ -0.0068010600000000, 0.0000769500000000, 0.0040575100000000 ] - [ -0.0068010600000000, -0.0000769500000000, 0.0040575100000000 ] - [ -0.0076920800000000, 0.0000000000000000, 0.0200670800000000 ] - [ -0.0071719900000000, -0.0010011200000000, 0.0061189000000000 ] - [ -0.0071719900000000, 0.0010011200000000, 0.0061189000000000 ] - [ -0.0438165000000000, 0.0000000000000000, 0.0070340300000000 ] - [ -0.0092817100000000, -0.0145979200000000, 0.0026239000000000 ] - [ -0.0092817100000000, 0.0145979200000000, 0.0026239000000000 ] - [ -0.0068694500000000, 0.0000000000000000, -0.0101204300000000 ] - [ -0.0069059900000000, 0.0010951000000000, 0.0037427000000000 ] - [ -0.0069059900000000, -0.0010951000000000, 0.0037427000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005341300000000, 0.0000633600000000, -0.0000039100000000 ] - [ -0.0005361100000000, 0.0000659600000000, -0.0001252900000000 ] - [ -0.0005353300000000, -0.0001278600000000, -0.0000656000000000 ] - [ -0.0002462600000000, -0.0013244200000000, 0.0035412100000000 ] - [ -0.0000172900000000, -0.0012906000000000, -0.0034229500000000 ] - [ -0.0001323700000000, -0.0007200900000000, 0.0000549400000000 ] - [ -0.0001418400000000, 0.0004177000000000, 0.0012837300000000 ] - [ -0.0001691000000000, 0.0004372500000000, -0.0006638600000000 ] - [ -0.0001558000000000, -0.0006956400000000, 0.0003066900000000 ] - [ 0.0044796200000000, -0.0001017500000000, -0.0037204300000000 ] - [ 0.0044944500000000, -0.0001047300000000, -0.0036808500000000 ] - [ 0.0044876000000000, 0.0002032600000000, -0.0036999300000000 ] - [ 0.0097091000000000, -0.0006523900000000, -0.0036035900000000 ] - [ 0.0095627900000000, -0.0006739600000000, -0.0032870000000000 ] - [ 0.0096363000000000, 0.0011709700000000, -0.0034432200000000 ] - [ 0.0012907800000000, -0.0006503700000000, -0.0073787100000000 ] - [ 0.0014677500000000, -0.0006705600000000, -0.0070519000000000 ] - [ 0.0013792000000000, 0.0011737700000000, -0.0072134200000000 ] - [ -0.0006467600000000, -0.0000661100000000, -0.0013033400000000 ] - [ -0.0006533400000000, 0.0000320900000000, -0.0013662500000000 ] - [ -0.0006406500000000, 0.0000330900000000, -0.0012404600000000 ] - [ 0.0019710200000000, -0.0000461300000000, 0.0002549800000000 ] - [ 0.0019742400000000, 0.0000209200000000, 0.0003006300000000 ] - [ 0.0019642900000000, 0.0000217700000000, 0.0002118300000000 ] - [ -0.0003196000000000, -0.0002432000000000, -0.0019877600000000 ] - [ -0.0002830200000000, 0.0000756800000000, -0.0014877800000000 ] - [ -0.0003548400000000, 0.0000779800000000, -0.0024651800000000 ] - [ 0.0019455600000000, -0.0000530800000000, 0.0000535600000000 ] - [ 0.0019553000000000, 0.0000270700000000, 0.0001073300000000 ] - [ 0.0019388200000000, 0.0000280600000000, 0.0000024500000000 ] - [ -0.0000491100000000, -0.0002069400000000, -0.0013382600000000 ] - [ -0.0000957200000000, 0.0000758100000000, -0.0008573900000000 ] - [ -0.0000046300000000, 0.0000781900000000, -0.0017951400000000 ] - [ 0.0022786700000000, -0.0000990400000000, -0.0000918500000000 ] - [ 0.0022890300000000, 0.0000502800000000, -0.0001939700000000 ] - [ 0.0022689700000000, 0.0000515400000000, 0.0000073400000000 ] - [ 0.0003435400000000, -0.0000695200000000, -0.0012349500000000 ] - [ 0.0003325600000000, 0.0000295300000000, -0.0012911000000000 ] - [ 0.0003543100000000, 0.0000305400000000, -0.0011797800000000 ] - [ -0.0004640400000000, -0.0049990700000000, -0.0018714600000000 ] - [ -0.0009605000000000, 0.0012514200000000, -0.0034419200000000 ] - [ -0.0000559300000000, 0.0012541200000000, -0.0004563600000000 ] - [ 0.0024787700000000, -0.0017931200000000, 0.0005396100000000 ] - [ 0.0022352900000000, 0.0017046600000000, -0.0011355200000000 ] - [ 0.0027256100000000, 0.0016871000000000, 0.0021930700000000 ] - [ -0.0004769100000000, -0.0003432600000000, -0.0011509800000000 ] - [ -0.0004361300000000, 0.0001553700000000, -0.0018332000000000 ] - [ -0.0005187600000000, 0.0001578200000000, -0.0004896100000000 ] - [ 0.0026060400000000, -0.0000953500000000, 0.0004420500000000 ] - [ 0.0025947900000000, 0.0000486300000000, 0.0003349700000000 ] - [ 0.0026157200000000, 0.0000495000000000, 0.0005467600000000 ] - [ 0.0001310200000000, -0.0003266900000000, -0.0015032800000000 ] - [ 0.0000391000000000, 0.0001572000000000, -0.0022756500000000 ] - [ 0.0002231200000000, 0.0001595300000000, -0.0007547000000000 ] - [ 0.0029079700000000, -0.0568618600000000, -0.0000484700000000 ] - [ 0.0029748200000000, 0.0025594900000000, -0.0000801700000000 ] - [ 0.0028983500000000, 0.0025580800000000, -0.0006117600000000 ] - [ -0.0003198000000000, -0.0053973300000000, -0.0013526400000000 ] - [ 0.0001433600000000, 0.0013046300000000, -0.0029336600000000 ] - [ -0.0007017300000000, 0.0013047200000000, 0.0000937400000000 ] - [ 0.0014126000000000, -0.0003682100000000, -0.0001900200000000 ] - [ 0.0014523400000000, 0.0001163800000000, 0.0001648000000000 ] - [ 0.0013786500000000, 0.0001189500000000, -0.0005261400000000 ] - [ 0.0004038200000000, -0.0046134000000000, -0.0005055400000000 ] - [ 0.0005265100000000, 0.0008183600000000, 0.0015725800000000 ] - [ 0.0003111200000000, 0.0008204100000000, -0.0024584700000000 ] - [ 0.0023088500000000, 0.0024091700000000, -0.0001717300000000 ] - [ 0.0026073300000000, 0.0030059000000000, -0.0000477700000000 ] - [ 0.0020976200000000, 0.0029899900000000, -0.0002809800000000 ] - [ -0.0001103100000000, -0.0040353100000000, -0.0021167200000000 ] - [ -0.0002392300000000, 0.0007566300000000, -0.0001250100000000 ] - [ -0.0000125700000000, 0.0007602300000000, -0.0039783500000000 ] - [ 0.0024332800000000, -0.0005170700000000, 0.0001992700000000 ] - [ 0.0023954300000000, 0.0003266700000000, -0.0002197200000000 ] - [ 0.0024649800000000, 0.0003303800000000, 0.0005882200000000 ] - [ 0.0024154600000000, -0.0001362600000000, 0.0002533000000000 ] - [ 0.0023921600000000, 0.0001295100000000, 0.0006287700000000 ] - [ 0.0024344300000000, 0.0001329700000000, -0.0001023500000000 ] - [ 0.0055185900000000, -0.0001487900000000, -0.0033987100000000 ] - [ 0.0055354200000000, -0.0001524100000000, -0.0035376900000000 ] - [ 0.0055269600000000, 0.0003019000000000, -0.0034688000000000 ] - [ 0.0051774700000000, -0.0008218800000000, -0.0025404400000000 ] - [ 0.0041122100000000, -0.0008433700000000, -0.0042759700000000 ] - [ 0.0046486700000000, 0.0017561700000000, -0.0034086200000000 ] - [ 0.0049489000000000, -0.0001037800000000, -0.0025994200000000 ] - [ 0.0049448700000000, -0.0001082600000000, -0.0025618500000000 ] - [ 0.0049469500000000, 0.0002009600000000, -0.0025803200000000 ] - [ 0.0199413600000000, 0.0104177000000000, -0.0012828200000000 ] - [ -0.0062990000000000, 0.0104847600000000, -0.0000427400000000 ] - [ 0.0069233000000000, 0.0057937600000000, -0.0006717300000000 ] - [ 0.0047169900000000, -0.0001447300000000, -0.0042706000000000 ] - [ 0.0047219200000000, -0.0001491200000000, -0.0043986800000000 ] - [ 0.0047196300000000, 0.0002879500000000, -0.0043354200000000 ] - [ 0.0045831000000000, -0.0007825700000000, -0.0031438700000000 ] - [ 0.0058311200000000, -0.0008015100000000, -0.0048593100000000 ] - [ 0.0052032300000000, 0.0016173300000000, -0.0040015800000000 ] - [ -0.0076604900000000, 0.0109426000000000, 0.0032037100000000 ] - [ 0.0216543600000000, 0.0110234100000000, 0.0055521000000000 ] - [ 0.0068826600000000, 0.0062709500000000, 0.0043672800000000 ] - [ 0.0004309900000000, 0.0001211900000000, 0.0002355900000000 ] - [ 0.0004313500000000, 0.0001271700000000, -0.0000145500000000 ] - [ 0.0004312000000000, -0.0002590800000000, 0.0001087100000000 ] - [ -0.0003019000000000, 0.0000557900000000, 0.0000762500000000 ] - [ -0.0003038800000000, 0.0000590200000000, 0.0001032400000000 ] - [ -0.0003027000000000, -0.0001129300000000, 0.0000898800000000 ] - [ -0.0003832300000000, 0.0002758000000000, -0.0005652100000000 ] - [ -0.0004085600000000, 0.0002816000000000, 0.0002324400000000 ] - [ -0.0003963600000000, -0.0005920400000000, -0.0001655700000000 ] - [ -0.0000366700000000, 0.0000554200000000, 0.0000338300000000 ] - [ -0.0000349800000000, 0.0000566300000000, 0.0000645300000000 ] - [ -0.0000356400000000, -0.0001117900000000, 0.0000491400000000 ] - [ -0.0005961800000000, 0.0002009300000000, -0.0002394100000000 ] - [ -0.0005663200000000, 0.0002073000000000, 0.0003196900000000 ] - [ -0.0005813200000000, -0.0004143700000000, 0.0000412800000000 ] - [ 0.0001535400000000, 0.0035122300000000, -0.0017069100000000 ] - [ 0.0000296200000000, 0.0037930400000000, 0.0014962700000000 ] - [ 0.0000902000000000, -0.0020371400000000, 0.0000311400000000 ] - [ -0.0007403100000000, 0.0009395400000000, -0.0020145200000000 ] - [ -0.0004762100000000, 0.0009833100000000, 0.0016837900000000 ] - [ -0.0006074700000000, -0.0016809500000000, -0.0001578300000000 ] - [ -0.0096679700000000, 0.0187884500000000, -0.0033459100000000 ] - [ -0.0098736000000000, -0.0115588100000000, -0.0038614900000000 ] - [ -0.0090196700000000, -0.0115237300000000, -0.0027707600000000 ] - [ -0.0111830900000000, 0.0013309900000000, 0.0052204500000000 ] - [ -0.0109177500000000, -0.0005660200000000, 0.0032600200000000 ] - [ -0.0114424200000000, -0.0005830200000000, 0.0070931100000000 ] - [ -0.0034615500000000, 0.0013459300000000, 0.0085193600000000 ] - [ -0.0037665200000000, -0.0005764800000000, 0.0065104700000000 ] - [ -0.0031626300000000, -0.0005928900000000, 0.0104551100000000 ] - [ -0.0059700400000000, 0.0001679000000000, 0.0049209100000000 ] - [ -0.0059837600000000, -0.0000803700000000, 0.0047276200000000 ] - [ -0.0059530800000000, -0.0000819400000000, 0.0051062300000000 ] - [ -0.0063955400000000, 0.0002618600000000, 0.0057652300000000 ] - [ -0.0063854400000000, -0.0001251600000000, 0.0061433000000000 ] - [ -0.0064047700000000, -0.0001274500000000, 0.0053926300000000 ] - [ -0.0075218900000000, 0.0002654600000000, 0.0047715800000000 ] - [ -0.0075210300000000, -0.0001295600000000, 0.0052030100000000 ] - [ -0.0075238200000000, -0.0001347600000000, 0.0043549600000000 ] - [ -0.0067554400000000, 0.0001723400000000, 0.0036444100000000 ] - [ -0.0067492300000000, -0.0000762900000000, 0.0034398500000000 ] - [ -0.0067636300000000, -0.0000820500000000, 0.0038378400000000 ] - [ -0.0069437400000000, 0.0023813500000000, 0.0044446000000000 ] - [ -0.0060067500000000, -0.0011778700000000, 0.0062395700000000 ] - [ -0.0078905000000000, -0.0011864800000000, 0.0027378000000000 ] - [ -0.0084813800000000, 0.0199658200000000, 0.0024761000000000 ] - [ -0.0090690600000000, -0.0102598100000000, 0.0021422200000000 ] - [ -0.0084585600000000, -0.0102390300000000, 0.0028542100000000 ] - [ -0.0070105500000000, 0.0022449000000000, 0.0051223500000000 ] - [ -0.0076093500000000, -0.0011328700000000, 0.0068637000000000 ] - [ -0.0064012400000000, -0.0011414800000000, 0.0034594700000000 ]- atom: 55 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005313600000000, 0.0003204500000000, -0.0005708000000000 ] - [ -0.0005313600000000, -0.0003204500000000, -0.0005708000000000 ] - [ -0.0005306000000000, 0.0000000000000000, -0.0003096200000000 ] - [ -0.0000778900000000, 0.0032873400000000, -0.0008104000000000 ] - [ -0.0000778900000000, -0.0032873400000000, -0.0008104000000000 ] - [ -0.0001468700000000, 0.0000000000000000, 0.0003916000000000 ] - [ -0.0000661500000000, 0.0010380600000000, 0.0007163900000000 ] - [ -0.0000661500000000, -0.0010380600000000, 0.0007163900000000 ] - [ -0.0001442100000000, 0.0000000000000000, 0.0006180500000000 ] - [ 0.0045492600000000, -0.0003535500000000, -0.0030302200000000 ] - [ 0.0045492600000000, 0.0003535500000000, -0.0030302200000000 ] - [ 0.0045194500000000, 0.0000000000000000, -0.0031933000000000 ] - [ 0.0095295600000000, -0.0025487100000000, -0.0027541100000000 ] - [ 0.0095295600000000, 0.0025487100000000, -0.0027541100000000 ] - [ 0.0095750300000000, 0.0000000000000000, -0.0033673800000000 ] - [ 0.0015075700000000, -0.0025279000000000, -0.0065308200000000 ] - [ 0.0015075700000000, 0.0025279000000000, -0.0065308200000000 ] - [ 0.0013873300000000, 0.0000000000000000, -0.0071502100000000 ] - [ -0.0006526500000000, 0.0000000000000000, 0.0008776300000000 ] - [ -0.0006411600000000, 0.0000119600000000, 0.0001766300000000 ] - [ -0.0006411600000000, -0.0000119600000000, 0.0001766300000000 ] - [ 0.0020289100000000, 0.0000000000000000, 0.0010513100000000 ] - [ 0.0020013500000000, 0.0000654700000000, 0.0006781100000000 ] - [ 0.0020013500000000, -0.0000654700000000, 0.0006781100000000 ] - [ -0.0000055600000000, 0.0000000000000000, 0.0020902900000000 ] - [ -0.0003256400000000, 0.0002821100000000, -0.0008324600000000 ] - [ -0.0003256400000000, -0.0002821100000000, -0.0008324600000000 ] - [ 0.0020374900000000, 0.0000000000000000, 0.0009883500000000 ] - [ 0.0019722300000000, 0.0000850800000000, 0.0005782200000000 ] - [ 0.0019722300000000, -0.0000850800000000, 0.0005782200000000 ] - [ -0.0002494500000000, 0.0000000000000000, 0.0022118600000000 ] - [ 0.0000327400000000, 0.0002769200000000, -0.0002306400000000 ] - [ 0.0000327400000000, -0.0002769200000000, -0.0002306400000000 ] - [ 0.0022927000000000, 0.0000000000000000, 0.0007695100000000 ] - [ 0.0023107300000000, -0.0000615200000000, 0.0004264400000000 ] - [ 0.0023107300000000, 0.0000615200000000, 0.0004264400000000 ] - [ 0.0003527800000000, 0.0000000000000000, 0.0010424200000000 ] - [ 0.0003587000000000, 0.0000130400000000, 0.0002861600000000 ] - [ 0.0003587000000000, -0.0000130400000000, 0.0002861600000000 ] - [ 0.0147243700000000, 0.0000000000000000, 0.0025890500000000 ] - [ -0.0002183300000000, -0.0004462400000000, -0.0041783900000000 ] - [ -0.0002183300000000, 0.0004462400000000, -0.0041783900000000 ] - [ 0.0028167100000000, 0.0000000000000000, 0.0029829500000000 ] - [ 0.0027234800000000, -0.0016117100000000, 0.0017090600000000 ] - [ 0.0027234800000000, 0.0016117100000000, 0.0017090600000000 ] - [ -0.0005914100000000, 0.0000000000000000, 0.0016928700000000 ] - [ -0.0005763800000000, -0.0002269900000000, -0.0001157900000000 ] - [ -0.0005763800000000, 0.0002269900000000, -0.0001157900000000 ] - [ 0.0026462300000000, 0.0000000000000000, 0.0012697600000000 ] - [ 0.0026382600000000, -0.0000741800000000, 0.0009454200000000 ] - [ 0.0026382600000000, 0.0000741800000000, 0.0009454200000000 ] - [ 0.0001390400000000, 0.0000000000000000, 0.0013400200000000 ] - [ 0.0002097100000000, -0.0002137200000000, -0.0004436200000000 ] - [ 0.0002097100000000, 0.0002137200000000, -0.0004436200000000 ] - [ -0.0010378800000000, 0.0000000000000000, -0.0627560900000000 ] - [ 0.0029967000000000, -0.0002677700000000, -0.0019492900000000 ] - [ 0.0029967000000000, 0.0002677700000000, -0.0019492900000000 ] - [ -0.0169583700000000, 0.0000000000000000, 0.0032393500000000 ] - [ -0.0006211400000000, -0.0003857900000000, -0.0036623400000000 ] - [ -0.0006211400000000, 0.0003857900000000, -0.0036623400000000 ] - [ 0.0020147700000000, 0.0000000000000000, 0.0018187500000000 ] - [ 0.0014091600000000, 0.0003722500000000, -0.0001407500000000 ] - [ 0.0014091600000000, -0.0003722500000000, -0.0001407500000000 ] - [ 0.0142333100000000, 0.0000000000000000, 0.0135846900000000 ] - [ 0.0006069200000000, 0.0003938300000000, -0.0021428400000000 ] - [ 0.0006069200000000, -0.0003938300000000, -0.0021428400000000 ] - [ 0.0063793200000000, 0.0000000000000000, 0.0016675000000000 ] - [ 0.0023416600000000, 0.0004008200000000, -0.0007703600000000 ] - [ 0.0023416600000000, -0.0004008200000000, -0.0007703600000000 ] - [ -0.0114787600000000, 0.0000000000000000, 0.0117263100000000 ] - [ -0.0002132500000000, 0.0004278100000000, -0.0035919700000000 ] - [ -0.0002132500000000, -0.0004278100000000, -0.0035919700000000 ] - [ 0.0023119800000000, 0.0000000000000000, 0.0026145300000000 ] - [ 0.0024216200000000, -0.0003612500000000, 0.0000793900000000 ] - [ 0.0024216200000000, 0.0003612500000000, 0.0000793900000000 ] - [ 0.0021598200000000, 0.0000000000000000, 0.0024442300000000 ] - [ 0.0024162300000000, 0.0003908800000000, 0.0002673800000000 ] - [ 0.0024162300000000, -0.0003908800000000, 0.0002673800000000 ] - [ 0.0055274800000000, 0.0002234000000000, -0.0028078100000000 ] - [ 0.0055274800000000, -0.0002234000000000, -0.0028078100000000 ] - [ 0.0055458800000000, 0.0000000000000000, -0.0029704100000000 ] - [ 0.0052571100000000, 0.0015532100000000, -0.0027602300000000 ] - [ 0.0052571100000000, -0.0015532100000000, -0.0027602300000000 ] - [ 0.0048611400000000, 0.0000000000000000, -0.0036531900000000 ] - [ 0.0048845600000000, -0.0003636900000000, -0.0019041400000000 ] - [ 0.0048845600000000, 0.0003636900000000, -0.0019041400000000 ] - [ 0.0048969400000000, 0.0000000000000000, -0.0020720500000000 ] - [ 0.0059144500000000, -0.0030961500000000, -0.0052994300000000 ] - [ 0.0059144500000000, 0.0030961500000000, -0.0052994300000000 ] - [ 0.0069885200000000, 0.0000000000000000, -0.0014934600000000 ] - [ 0.0047159600000000, 0.0002266500000000, -0.0036758800000000 ] - [ 0.0047159600000000, -0.0002266500000000, -0.0036758800000000 ] - [ 0.0047100000000000, 0.0000000000000000, -0.0038330300000000 ] - [ 0.0046056000000000, 0.0016291300000000, -0.0032630800000000 ] - [ 0.0046056000000000, -0.0016291300000000, -0.0032630800000000 ] - [ 0.0050662300000000, 0.0000000000000000, -0.0042289400000000 ] - [ 0.0081777500000000, -0.0032467200000000, -0.0003673500000000 ] - [ 0.0081777500000000, 0.0032467200000000, -0.0003673500000000 ] - [ 0.0068023600000000, 0.0000000000000000, 0.0035070100000000 ] - [ 0.0004076900000000, 0.0006235000000000, -0.0008472600000000 ] - [ 0.0004076900000000, -0.0006235000000000, -0.0008472600000000 ] - [ 0.0004209000000000, 0.0000000000000000, -0.0003548900000000 ] - [ -0.0002971800000000, 0.0000241200000000, -0.0007223200000000 ] - [ -0.0002971800000000, -0.0000241200000000, -0.0007223200000000 ] - [ -0.0002966200000000, 0.0000000000000000, -0.0005578800000000 ] - [ -0.0003807800000000, -0.0004633800000000, -0.0012286200000000 ] - [ -0.0003807800000000, 0.0004633800000000, -0.0012286200000000 ] - [ -0.0003735100000000, 0.0000000000000000, -0.0007979700000000 ] - [ -0.0000500300000000, 0.0000270600000000, -0.0008033700000000 ] - [ -0.0000500300000000, -0.0000270600000000, -0.0008033700000000 ] - [ -0.0000482400000000, 0.0000000000000000, -0.0006354500000000 ] - [ -0.0005924000000000, -0.0005347200000000, -0.0008941500000000 ] - [ -0.0005924000000000, 0.0005347200000000, -0.0008941500000000 ] - [ -0.0005932800000000, 0.0000000000000000, -0.0004086100000000 ] - [ 0.0000241700000000, -0.0015889700000000, 0.0035032100000000 ] - [ 0.0000241700000000, 0.0015889700000000, 0.0035032100000000 ] - [ 0.0000957100000000, 0.0000000000000000, 0.0010755300000000 ] - [ -0.0005863900000000, -0.0017839900000000, 0.0018270900000000 ] - [ -0.0005863900000000, 0.0017839900000000, 0.0018270900000000 ] - [ -0.0006112200000000, 0.0000000000000000, 0.0006796100000000 ] - [ -0.0018595200000000, 0.0000000000000000, 0.0193956800000000 ] - [ -0.0091872000000000, -0.0016752600000000, 0.0003383700000000 ] - [ -0.0091872000000000, 0.0016752600000000, 0.0003383700000000 ] - [ -0.0102130900000000, 0.0000000000000000, -0.0050488600000000 ] - [ -0.0111721600000000, -0.0020663800000000, 0.0052899700000000 ] - [ -0.0111721600000000, 0.0020663800000000, 0.0052899700000000 ] - [ -0.0049026800000000, 0.0000000000000000, -0.0011150100000000 ] - [ -0.0034936500000000, -0.0021016800000000, 0.0086040400000000 ] - [ -0.0034936500000000, 0.0021016800000000, 0.0086040400000000 ] - [ -0.0062856200000000, 0.0000000000000000, 0.0017615500000000 ] - [ -0.0061510400000000, -0.0002812100000000, 0.0032390700000000 ] - [ -0.0061510400000000, 0.0002812100000000, 0.0032390700000000 ] - [ -0.0064513900000000, 0.0000000000000000, 0.0027708500000000 ] - [ -0.0064383800000000, 0.0001923400000000, 0.0040144100000000 ] - [ -0.0064383800000000, -0.0001923400000000, 0.0040144100000000 ] - [ -0.0075683600000000, 0.0000000000000000, 0.0017352800000000 ] - [ -0.0075682700000000, 0.0001921100000000, 0.0030173900000000 ] - [ -0.0075682700000000, -0.0001921100000000, 0.0030173900000000 ] - [ -0.0065763000000000, 0.0000000000000000, 0.0002131200000000 ] - [ -0.0066505500000000, -0.0002880500000000, 0.0018526600000000 ] - [ -0.0066505500000000, 0.0002880500000000, 0.0018526600000000 ] - [ -0.0075654300000000, 0.0000000000000000, -0.0017075500000000 ] - [ -0.0079457600000000, 0.0014748900000000, 0.0047617200000000 ] - [ -0.0079457600000000, -0.0014748900000000, 0.0047617200000000 ] - [ -0.0180898900000000, 0.0000000000000000, 0.0247023100000000 ] - [ -0.0091911300000000, -0.0015497600000000, 0.0057364600000000 ] - [ -0.0091911300000000, 0.0015497600000000, 0.0057364600000000 ] - [ -0.0063725800000000, 0.0000000000000000, -0.0014534300000000 ] - [ -0.0062661700000000, 0.0015488900000000, 0.0054085400000000 ] - [ -0.0062661700000000, -0.0015488900000000, 0.0054085400000000 ]- atom: 55 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005391700000000, -0.0003192100000000, 0.0004396100000000 ] - [ -0.0005391700000000, 0.0003192100000000, 0.0004396100000000 ] - [ -0.0005400100000000, 0.0000000000000000, 0.0001815600000000 ] - [ -0.0001863600000000, -0.0033090100000000, 0.0009635100000000 ] - [ -0.0001863600000000, 0.0033090100000000, 0.0009635100000000 ] - [ -0.0001180100000000, 0.0000000000000000, -0.0002725100000000 ] - [ -0.0002455700000000, -0.0010403100000000, -0.0000790200000000 ] - [ -0.0002455700000000, 0.0010403100000000, -0.0000790200000000 ] - [ -0.0001668100000000, 0.0000000000000000, 0.0000057900000000 ] - [ 0.0044252200000000, 0.0003495600000000, -0.0043705600000000 ] - [ 0.0044252200000000, -0.0003495600000000, -0.0043705600000000 ] - [ 0.0044552600000000, 0.0000000000000000, -0.0042077600000000 ] - [ 0.0097439700000000, 0.0025388800000000, -0.0041381400000000 ] - [ 0.0097439700000000, -0.0025388800000000, -0.0041381400000000 ] - [ 0.0096977600000000, 0.0000000000000000, -0.0035258000000000 ] - [ 0.0012500400000000, 0.0025148400000000, -0.0079007300000000 ] - [ 0.0012500400000000, -0.0025148400000000, -0.0079007300000000 ] - [ 0.0013705000000000, 0.0000000000000000, -0.0072834100000000 ] - [ -0.0006403500000000, 0.0000000000000000, -0.0034849900000000 ] - [ -0.0006526300000000, -0.0000113100000000, -0.0027828800000000 ] - [ -0.0006526300000000, 0.0000113100000000, -0.0027828800000000 ] - [ 0.0019141300000000, 0.0000000000000000, -0.0005387100000000 ] - [ 0.0019374500000000, -0.0000649000000000, -0.0001666200000000 ] - [ 0.0019374500000000, 0.0000649000000000, -0.0001666200000000 ] - [ -0.0006261600000000, 0.0000000000000000, -0.0060326800000000 ] - [ -0.0003123900000000, -0.0002806800000000, -0.0031314100000000 ] - [ -0.0003123900000000, 0.0002806800000000, -0.0031314100000000 ] - [ 0.0018571000000000, 0.0000000000000000, -0.0008779100000000 ] - [ 0.0019229500000000, -0.0000843000000000, -0.0004699200000000 ] - [ 0.0019229500000000, 0.0000843000000000, -0.0004699200000000 ] - [ 0.0001476700000000, 0.0000000000000000, -0.0048658500000000 ] - [ -0.0001324200000000, -0.0002757200000000, -0.0024322100000000 ] - [ -0.0001324200000000, 0.0002757200000000, -0.0024322100000000 ] - [ 0.0022657800000000, 0.0000000000000000, -0.0009565200000000 ] - [ 0.0022476200000000, 0.0000621200000000, -0.0006116200000000 ] - [ 0.0022476200000000, -0.0000621200000000, -0.0006116200000000 ] - [ 0.0003346800000000, 0.0000000000000000, -0.0035116600000000 ] - [ 0.0003285100000000, -0.0000124800000000, -0.0027563000000000 ] - [ 0.0003285100000000, 0.0000124800000000, -0.0027563000000000 ] - [ -0.0158989400000000, 0.0000000000000000, -0.0064601500000000 ] - [ -0.0007972900000000, 0.0004473600000000, 0.0003138400000000 ] - [ -0.0007972900000000, -0.0004473600000000, 0.0003138400000000 ] - [ 0.0021390600000000, 0.0000000000000000, -0.0019385700000000 ] - [ 0.0022376400000000, 0.0016291200000000, -0.0006444700000000 ] - [ 0.0022376400000000, -0.0016291200000000, -0.0006444700000000 ] - [ -0.0003592200000000, 0.0000000000000000, -0.0040169000000000 ] - [ -0.0003781500000000, 0.0002283100000000, -0.0021964900000000 ] - [ -0.0003781500000000, -0.0002283100000000, -0.0021964900000000 ] - [ 0.0025669400000000, 0.0000000000000000, -0.0003896800000000 ] - [ 0.0025725400000000, 0.0000751100000000, -0.0000626300000000 ] - [ 0.0025725400000000, -0.0000751100000000, -0.0000626300000000 ] - [ 0.0001231700000000, 0.0000000000000000, -0.0043706900000000 ] - [ 0.0000528800000000, 0.0002151700000000, -0.0025754900000000 ] - [ 0.0000528800000000, -0.0002151700000000, -0.0025754900000000 ] - [ 0.0067871000000000, 0.0000000000000000, 0.0625025500000000 ] - [ 0.0028703300000000, 0.0002636000000000, 0.0012605800000000 ] - [ 0.0028703300000000, -0.0002636000000000, 0.0012605800000000 ] - [ 0.0165844000000000, 0.0000000000000000, -0.0060644500000000 ] - [ 0.0000627300000000, 0.0003877200000000, 0.0008556400000000 ] - [ 0.0000627300000000, -0.0003877200000000, 0.0008556400000000 ] - [ 0.0008182800000000, 0.0000000000000000, -0.0021892900000000 ] - [ 0.0014205900000000, -0.0003707300000000, -0.0002273800000000 ] - [ 0.0014205900000000, 0.0003707300000000, -0.0002273800000000 ] - [ -0.0131406300000000, 0.0000000000000000, -0.0142922700000000 ] - [ 0.0002311900000000, -0.0003949600000000, 0.0012165400000000 ] - [ 0.0002311900000000, 0.0003949600000000, 0.0012165400000000 ] - [ -0.0017517000000000, 0.0000000000000000, -0.0019858100000000 ] - [ 0.0023585900000000, -0.0004173100000000, 0.0004413000000000 ] - [ 0.0023585900000000, 0.0004173100000000, 0.0004413000000000 ] - [ 0.0110282700000000, 0.0000000000000000, -0.0157072300000000 ] - [ -0.0000388300000000, -0.0004296000000000, -0.0005501900000000 ] - [ -0.0000388300000000, 0.0004296000000000, -0.0005501900000000 ] - [ 0.0025550400000000, 0.0000000000000000, -0.0022546300000000 ] - [ 0.0024399700000000, 0.0003631100000000, 0.0002969900000000 ] - [ 0.0024399700000000, -0.0003631100000000, 0.0002969900000000 ] - [ 0.0026724900000000, 0.0000000000000000, -0.0019138200000000 ] - [ 0.0024113500000000, -0.0003895800000000, 0.0002511900000000 ] - [ 0.0024113500000000, 0.0003895800000000, 0.0002511900000000 ] - [ 0.0055266600000000, -0.0002264600000000, -0.0041291600000000 ] - [ 0.0055266600000000, 0.0002264600000000, -0.0041291600000000 ] - [ 0.0055078800000000, 0.0000000000000000, -0.0039656400000000 ] - [ 0.0040339800000000, -0.0015593100000000, -0.0040525400000000 ] - [ 0.0040339800000000, 0.0015593100000000, -0.0040525400000000 ] - [ 0.0044363200000000, 0.0000000000000000, -0.0031549900000000 ] - [ 0.0050092700000000, 0.0003606600000000, -0.0032566200000000 ] - [ 0.0050092700000000, -0.0003606600000000, -0.0032566200000000 ] - [ 0.0049971700000000, 0.0000000000000000, -0.0030896300000000 ] - [ 0.0079763900000000, 0.0032065100000000, 0.0039487000000000 ] - [ 0.0079763900000000, -0.0032065100000000, 0.0039487000000000 ] - [ 0.0068554200000000, 0.0000000000000000, 0.0001517400000000 ] - [ 0.0047229100000000, -0.0002294600000000, -0.0049939200000000 ] - [ 0.0047229100000000, 0.0002294600000000, -0.0049939200000000 ] - [ 0.0047292500000000, 0.0000000000000000, -0.0048364600000000 ] - [ 0.0058070700000000, -0.0016375000000000, -0.0047369600000000 ] - [ 0.0058070700000000, 0.0016375000000000, -0.0047369600000000 ] - [ 0.0053396700000000, 0.0000000000000000, -0.0037652100000000 ] - [ 0.0055323200000000, 0.0033463800000000, 0.0090896300000000 ] - [ 0.0055323200000000, -0.0033463800000000, 0.0090896300000000 ] - [ 0.0069541000000000, 0.0000000000000000, 0.0052298700000000 ] - [ 0.0004543800000000, -0.0006197000000000, 0.0010640900000000 ] - [ 0.0004543800000000, 0.0006197000000000, 0.0010640900000000 ] - [ 0.0004416300000000, 0.0000000000000000, 0.0005739400000000 ] - [ -0.0003080500000000, -0.0000240800000000, 0.0009006900000000 ] - [ -0.0003080500000000, 0.0000240800000000, 0.0009006900000000 ] - [ -0.0003083900000000, 0.0000000000000000, 0.0007370400000000 ] - [ -0.0004106800000000, 0.0004667100000000, 0.0008943400000000 ] - [ -0.0004106800000000, -0.0004667100000000, 0.0008943400000000 ] - [ -0.0004186200000000, 0.0000000000000000, 0.0004606000000000 ] - [ -0.0000217500000000, -0.0000251100000000, 0.0009012900000000 ] - [ -0.0000217500000000, 0.0000251100000000, 0.0009012900000000 ] - [ -0.0000233600000000, 0.0000000000000000, 0.0007334700000000 ] - [ -0.0005705300000000, 0.0005392800000000, 0.0009749700000000 ] - [ -0.0005705300000000, -0.0005392800000000, 0.0009749700000000 ] - [ -0.0005698500000000, 0.0000000000000000, 0.0004850300000000 ] - [ 0.0001605600000000, 0.0013737200000000, -0.0036438100000000 ] - [ 0.0001605600000000, -0.0013737200000000, -0.0036438100000000 ] - [ 0.0000850900000000, 0.0000000000000000, -0.0010319000000000 ] - [ -0.0006311600000000, 0.0017786500000000, -0.0021855100000000 ] - [ -0.0006311600000000, -0.0017786500000000, -0.0021855100000000 ] - [ -0.0006034900000000, 0.0000000000000000, -0.0010158100000000 ] - [ -0.0172724800000000, 0.0000000000000000, -0.0261993400000000 ] - [ -0.0096987900000000, 0.0017236100000000, -0.0069671000000000 ] - [ -0.0096987900000000, -0.0017236100000000, -0.0069671000000000 ] - [ -0.0121549800000000, 0.0000000000000000, 0.0154028100000000 ] - [ -0.0111915300000000, 0.0020594500000000, 0.0051006600000000 ] - [ -0.0111915300000000, -0.0020594500000000, 0.0051006600000000 ] - [ -0.0020362100000000, 0.0000000000000000, 0.0180611200000000 ] - [ -0.0034306400000000, 0.0020925600000000, 0.0083994500000000 ] - [ -0.0034306400000000, -0.0020925600000000, 0.0083994500000000 ] - [ -0.0056576000000000, 0.0000000000000000, 0.0080686900000000 ] - [ -0.0057850100000000, 0.0002768900000000, 0.0065989100000000 ] - [ -0.0057850100000000, -0.0002768900000000, 0.0065989100000000 ] - [ -0.0063400700000000, 0.0000000000000000, 0.0087694900000000 ] - [ -0.0063513700000000, -0.0001957900000000, 0.0075139100000000 ] - [ -0.0063513700000000, 0.0001957900000000, 0.0075139100000000 ] - [ -0.0074763200000000, 0.0000000000000000, 0.0078193500000000 ] - [ -0.0074768600000000, -0.0001925600000000, 0.0065339000000000 ] - [ -0.0074768600000000, 0.0001925600000000, 0.0065339000000000 ] - [ -0.0069360900000000, 0.0000000000000000, 0.0070623800000000 ] - [ -0.0068641200000000, 0.0002880000000000, 0.0054295400000000 ] - [ -0.0068641200000000, -0.0002880000000000, 0.0054295400000000 ] - [ -0.0063194900000000, 0.0000000000000000, 0.0106828900000000 ] - [ -0.0059524200000000, -0.0014852100000000, 0.0041844900000000 ] - [ -0.0059524200000000, 0.0014852100000000, 0.0041844900000000 ] - [ 0.0009558100000000, 0.0000000000000000, -0.0198130800000000 ] - [ -0.0083193100000000, 0.0016046000000000, -0.0007408800000000 ] - [ -0.0083193100000000, -0.0016046000000000, -0.0007408800000000 ] - [ -0.0076584000000000, 0.0000000000000000, 0.0117777400000000 ] - [ -0.0077434800000000, -0.0015588300000000, 0.0048824600000000 ] - [ -0.0077434800000000, 0.0015588300000000, 0.0048824600000000 ]- atom: 58 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005190300000000, -0.0000062800000000, -0.0000528700000000 ] - [ -0.0005190300000000, 0.0000062800000000, -0.0000528700000000 ] - [ -0.0005336800000000, 0.0000000000000000, -0.0000593000000000 ] - [ -0.0000728300000000, -0.0004097300000000, 0.0004179100000000 ] - [ -0.0000728300000000, 0.0004097300000000, 0.0004179100000000 ] - [ -0.0001446500000000, 0.0000000000000000, 0.0000810900000000 ] - [ -0.0002365100000000, 0.0004615300000000, -0.0000224700000000 ] - [ -0.0002365100000000, -0.0004615300000000, -0.0000224700000000 ] - [ -0.0001571100000000, 0.0000000000000000, 0.0002827400000000 ] - [ 0.0044911100000000, 0.0000190000000000, -0.0037106300000000 ] - [ 0.0044911100000000, -0.0000190000000000, -0.0037106300000000 ] - [ 0.0044892300000000, 0.0000000000000000, -0.0037085800000000 ] - [ 0.0096729600000000, 0.0001199900000000, -0.0034757600000000 ] - [ 0.0096729600000000, -0.0001199900000000, -0.0034757600000000 ] - [ 0.0096471300000000, 0.0000000000000000, -0.0034485100000000 ] - [ 0.0013452800000000, -0.0000712800000000, -0.0072238900000000 ] - [ 0.0013452800000000, 0.0000712800000000, -0.0072238900000000 ] - [ 0.0013658700000000, 0.0000000000000000, -0.0072343100000000 ] - [ -0.0006163000000000, 0.0000000000000000, -0.0012566700000000 ] - [ -0.0006390300000000, -0.0000047300000000, -0.0013251300000000 ] - [ -0.0006390300000000, 0.0000047300000000, -0.0013251300000000 ] - [ 0.0019153600000000, 0.0000000000000000, 0.0002574500000000 ] - [ 0.0019601800000000, -0.0000004800000000, 0.0002507000000000 ] - [ 0.0019601800000000, 0.0000004800000000, 0.0002507000000000 ] - [ -0.0002359800000000, 0.0000000000000000, -0.0016265300000000 ] - [ -0.0003204600000000, 0.0000083300000000, -0.0020032900000000 ] - [ -0.0003204600000000, -0.0000083300000000, -0.0020032900000000 ] - [ 0.0020239400000000, 0.0000000000000000, 0.0000662800000000 ] - [ 0.0019551900000000, -0.0000003600000000, 0.0000472600000000 ] - [ 0.0019551900000000, 0.0000003600000000, 0.0000472600000000 ] - [ 0.0000126600000000, 0.0000000000000000, -0.0015152500000000 ] - [ -0.0000448000000000, -0.0000092900000000, -0.0013530700000000 ] - [ -0.0000448000000000, 0.0000092900000000, -0.0013530700000000 ] - [ 0.0024909700000000, 0.0000000000000000, 0.0000943100000000 ] - [ 0.0022938800000000, -0.0000397900000000, -0.0000565600000000 ] - [ 0.0022938800000000, 0.0000397900000000, -0.0000565600000000 ] - [ 0.0003721600000000, 0.0000000000000000, -0.0013044500000000 ] - [ 0.0003351800000000, 0.0000046200000000, -0.0012479700000000 ] - [ 0.0003351800000000, -0.0000046200000000, -0.0012479700000000 ] - [ 0.0041106400000000, 0.0000000000000000, -0.0007391500000000 ] - [ 0.0012373800000000, 0.0008479100000000, -0.0017801600000000 ] - [ 0.0012373800000000, -0.0008479100000000, -0.0017801600000000 ] - [ 0.0154934300000000, 0.0000000000000000, 0.0122499600000000 ] - [ 0.0026118300000000, -0.0003831800000000, 0.0009087400000000 ] - [ 0.0026118300000000, 0.0003831800000000, 0.0009087400000000 ] - [ 0.0004398200000000, 0.0000000000000000, -0.0012202400000000 ] - [ -0.0005364200000000, -0.0000894100000000, -0.0011152800000000 ] - [ -0.0005364200000000, 0.0000894100000000, -0.0011152800000000 ] - [ 0.0027155200000000, 0.0000000000000000, 0.0004480200000000 ] - [ 0.0025843800000000, 0.0000441000000000, 0.0003724700000000 ] - [ 0.0025843800000000, -0.0000441000000000, 0.0003724700000000 ] - [ 0.0025226400000000, 0.0000000000000000, -0.0013034500000000 ] - [ 0.0002453600000000, -0.0000024700000000, -0.0015840400000000 ] - [ 0.0002453600000000, 0.0000024700000000, -0.0015840400000000 ] - [ 0.0243460600000000, 0.0000000000000000, -0.0169618900000000 ] - [ 0.0030180200000000, -0.0004212700000000, -0.0006870800000000 ] - [ 0.0030180200000000, 0.0004212700000000, -0.0006870800000000 ] - [ -0.0557644300000000, 0.0000000000000000, 0.0060904600000000 ] - [ -0.0010862500000000, 0.0001382600000000, -0.0013039500000000 ] - [ -0.0010862500000000, -0.0001382600000000, -0.0013039500000000 ] - [ 0.0014324400000000, 0.0000000000000000, -0.0002781900000000 ] - [ 0.0014053000000000, -0.0000051200000000, -0.0001922100000000 ] - [ 0.0014053000000000, 0.0000051200000000, -0.0001922100000000 ] - [ 0.0020872200000000, 0.0000000000000000, 0.0006085100000000 ] - [ 0.0004219400000000, -0.0000571300000000, -0.0005201400000000 ] - [ 0.0004219400000000, 0.0000571300000000, -0.0005201400000000 ] - [ 0.0108038900000000, 0.0000000000000000, 0.0146379200000000 ] - [ 0.0021536800000000, 0.0001260800000000, 0.0001332000000000 ] - [ 0.0021536800000000, -0.0001260800000000, 0.0001332000000000 ] - [ 0.0020594500000000, 0.0000000000000000, -0.0031789200000000 ] - [ -0.0000614200000000, -0.0000266400000000, -0.0020155300000000 ] - [ -0.0000614200000000, 0.0000266400000000, -0.0020155300000000 ] - [ 0.0121374100000000, 0.0000000000000000, -0.0145699500000000 ] - [ 0.0022453200000000, 0.0003394700000000, -0.0002172700000000 ] - [ 0.0022453200000000, -0.0003394700000000, -0.0002172700000000 ] - [ 0.0025962000000000, 0.0000000000000000, 0.0002477400000000 ] - [ 0.0024189200000000, 0.0000077300000000, 0.0002734500000000 ] - [ 0.0024189200000000, -0.0000077300000000, 0.0002734500000000 ] - [ 0.0055825000000000, 0.0000462700000000, -0.0034782300000000 ] - [ 0.0055825000000000, -0.0000462700000000, -0.0034782300000000 ] - [ 0.0055495000000000, 0.0000000000000000, -0.0034839800000000 ] - [ 0.0063662300000000, 0.0003682000000000, -0.0036068800000000 ] - [ 0.0063662300000000, -0.0003682000000000, -0.0036068800000000 ] - [ 0.0047473900000000, 0.0000000000000000, -0.0035077100000000 ] - [ 0.0049427800000000, -0.0000325900000000, -0.0025807400000000 ] - [ 0.0049427800000000, 0.0000325900000000, -0.0025807400000000 ] - [ 0.0049456400000000, 0.0000000000000000, -0.0025862500000000 ] - [ 0.0087807200000000, 0.0007441300000000, -0.0004406800000000 ] - [ 0.0087807200000000, -0.0007441300000000, -0.0004406800000000 ] - [ 0.0069953200000000, 0.0000000000000000, -0.0005323100000000 ] - [ 0.0046388300000000, -0.0000229700000000, -0.0043286200000000 ] - [ 0.0046388300000000, 0.0000229700000000, -0.0043286200000000 ] - [ 0.0046955300000000, 0.0000000000000000, -0.0043213800000000 ] - [ 0.0015959700000000, 0.0009544900000000, -0.0030804100000000 ] - [ 0.0015959700000000, -0.0009544900000000, -0.0030804100000000 ] - [ 0.0050569500000000, 0.0000000000000000, -0.0040122600000000 ] - [ 0.0027744300000000, 0.0014427400000000, 0.0030287400000000 ] - [ 0.0027744300000000, -0.0014427400000000, 0.0030287400000000 ] - [ 0.0067230800000000, 0.0000000000000000, 0.0043699300000000 ] - [ 0.0003909500000000, 0.0000091300000000, 0.0001185600000000 ] - [ 0.0003909500000000, -0.0000091300000000, 0.0001185600000000 ] - [ 0.0004276300000000, 0.0000000000000000, 0.0001151700000000 ] - [ -0.0002798900000000, -0.0000093200000000, 0.0000835700000000 ] - [ -0.0002798900000000, 0.0000093200000000, 0.0000835700000000 ] - [ -0.0002989800000000, 0.0000000000000000, 0.0000900100000000 ] - [ -0.0003119400000000, -0.0005819700000000, -0.0007396500000000 ] - [ -0.0003119400000000, 0.0005819700000000, -0.0007396500000000 ] - [ -0.0004160700000000, 0.0000000000000000, -0.0002082800000000 ] - [ -0.0000524400000000, -0.0000005500000000, 0.0000615100000000 ] - [ -0.0000524400000000, 0.0000005500000000, 0.0000615100000000 ] - [ -0.0000380800000000, 0.0000000000000000, 0.0000669700000000 ] - [ -0.0005186500000000, 0.0007007400000000, 0.0007111300000000 ] - [ -0.0005186500000000, -0.0007007400000000, 0.0007111300000000 ] - [ -0.0005729100000000, 0.0000000000000000, 0.0001255200000000 ] - [ -0.0026328300000000, -0.0058761700000000, -0.0005133900000000 ] - [ -0.0026328300000000, 0.0058761700000000, -0.0005133900000000 ] - [ -0.0000241700000000, 0.0000000000000000, 0.0000148900000000 ] - [ -0.0012942900000000, 0.0034701200000000, 0.0001037600000000 ] - [ -0.0012942900000000, -0.0034701200000000, 0.0001037600000000 ] - [ -0.0005116000000000, 0.0000000000000000, -0.0002105500000000 ] - [ 0.0102190500000000, 0.0000000000000000, -0.0080455600000000 ] - [ -0.0086732700000000, 0.0004751700000000, -0.0035337000000000 ] - [ -0.0086732700000000, -0.0004751700000000, -0.0035337000000000 ] - [ -0.0115505000000000, 0.0000000000000000, 0.0057944500000000 ] - [ -0.0112158800000000, 0.0000748500000000, 0.0051887200000000 ] - [ -0.0112158800000000, -0.0000748500000000, 0.0051887200000000 ] - [ -0.0031393000000000, 0.0000000000000000, 0.0087182600000000 ] - [ -0.0034096900000000, -0.0000479200000000, 0.0085746600000000 ] - [ -0.0034096900000000, 0.0000479200000000, 0.0085746600000000 ] - [ -0.0059387400000000, 0.0000000000000000, 0.0049732800000000 ] - [ -0.0059648000000000, 0.0000115100000000, 0.0049464300000000 ] - [ -0.0059648000000000, -0.0000115100000000, 0.0049464300000000 ] - [ -0.0061331800000000, 0.0000000000000000, 0.0056361400000000 ] - [ -0.0063154300000000, -0.0000121700000000, 0.0057427600000000 ] - [ -0.0063154300000000, 0.0000121700000000, 0.0057427600000000 ] - [ -0.0077518400000000, 0.0000000000000000, 0.0046195000000000 ] - [ -0.0075947500000000, 0.0000242500000000, 0.0048291500000000 ] - [ -0.0075947500000000, -0.0000242500000000, 0.0048291500000000 ] - [ -0.0067743200000000, 0.0000000000000000, 0.0035695800000000 ] - [ -0.0067550600000000, -0.0000184200000000, 0.0036633400000000 ] - [ -0.0067550600000000, 0.0000184200000000, 0.0036633400000000 ] - [ -0.0208099000000000, 0.0000000000000000, 0.0041134400000000 ] - [ -0.0076215700000000, 0.0001008800000000, 0.0048459600000000 ] - [ -0.0076215700000000, -0.0001008800000000, 0.0048459600000000 ] - [ -0.0260888100000000, 0.0000000000000000, 0.0031288100000000 ] - [ -0.0093537200000000, 0.0003236900000000, 0.0019885900000000 ] - [ -0.0093537200000000, -0.0003236900000000, 0.0019885900000000 ] - [ 0.0077991400000000, 0.0000000000000000, 0.0061373400000000 ] - [ -0.0063177200000000, 0.0003075100000000, 0.0052869700000000 ] - [ -0.0063177200000000, -0.0003075100000000, 0.0052869700000000 ]- atom: 58 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005529900000000, 0.0000052900000000, -0.0000772200000000 ] - [ -0.0005529900000000, -0.0000052900000000, -0.0000772200000000 ] - [ -0.0005376100000000, 0.0000000000000000, -0.0000705600000000 ] - [ -0.0002048700000000, 0.0004075100000000, -0.0003048600000000 ] - [ -0.0002048700000000, -0.0004075100000000, -0.0003048600000000 ] - [ -0.0001231200000000, 0.0000000000000000, 0.0000303300000000 ] - [ -0.0000657200000000, -0.0004626400000000, 0.0006405600000000 ] - [ -0.0000657200000000, 0.0004626400000000, 0.0006405600000000 ] - [ -0.0001513500000000, 0.0000000000000000, 0.0003351500000000 ] - [ 0.0044831200000000, -0.0000197500000000, -0.0036900500000000 ] - [ 0.0044831200000000, 0.0000197500000000, -0.0036900500000000 ] - [ 0.0044854800000000, 0.0000000000000000, -0.0036916700000000 ] - [ 0.0095988000000000, -0.0001195700000000, -0.0034099800000000 ] - [ 0.0095988000000000, 0.0001195700000000, -0.0034099800000000 ] - [ 0.0096249700000000, 0.0000000000000000, -0.0034386700000000 ] - [ 0.0014115700000000, 0.0000878600000000, -0.0072136900000000 ] - [ 0.0014115700000000, -0.0000878600000000, -0.0072136900000000 ] - [ 0.0013920600000000, 0.0000000000000000, -0.0071984500000000 ] - [ -0.0006761500000000, 0.0000000000000000, -0.0013568900000000 ] - [ -0.0006546400000000, 0.0000048700000000, -0.0012838600000000 ] - [ -0.0006546400000000, -0.0000048700000000, -0.0012838600000000 ] - [ 0.0020331100000000, 0.0000000000000000, 0.0002542600000000 ] - [ 0.0019806800000000, 0.0000003300000000, 0.0002613100000000 ] - [ 0.0019806800000000, -0.0000003300000000, 0.0002613100000000 ] - [ -0.0004004200000000, 0.0000000000000000, -0.0023573500000000 ] - [ -0.0003175000000000, -0.0000102500000000, -0.0019585800000000 ] - [ -0.0003175000000000, 0.0000102500000000, -0.0019585800000000 ] - [ 0.0018662300000000, 0.0000000000000000, 0.0000417100000000 ] - [ 0.0019384400000000, 0.0000000500000000, 0.0000616300000000 ] - [ 0.0019384400000000, -0.0000000500000000, 0.0000616300000000 ] - [ -0.0001132000000000, 0.0000000000000000, -0.0011409400000000 ] - [ -0.0000558600000000, 0.0000091300000000, -0.0013008900000000 ] - [ -0.0000558600000000, -0.0000091300000000, -0.0013008900000000 ] - [ 0.0020871100000000, 0.0000000000000000, -0.0002813500000000 ] - [ 0.0022681400000000, 0.0000397400000000, -0.0001302900000000 ] - [ 0.0022681400000000, -0.0000397400000000, -0.0001302900000000 ] - [ 0.0003210000000000, 0.0000000000000000, -0.0011565800000000 ] - [ 0.0003525000000000, -0.0000057100000000, -0.0012225900000000 ] - [ 0.0003525000000000, 0.0000057100000000, -0.0012225900000000 ] - [ -0.0050982700000000, 0.0000000000000000, -0.0031447800000000 ] - [ -0.0022370000000000, -0.0008226500000000, -0.0021046300000000 ] - [ -0.0022370000000000, 0.0008226500000000, -0.0021046300000000 ] - [ -0.0106462000000000, 0.0000000000000000, -0.0113715300000000 ] - [ 0.0023645300000000, 0.0003882400000000, 0.0001629300000000 ] - [ 0.0023645300000000, -0.0003882400000000, 0.0001629300000000 ] - [ -0.0013830200000000, 0.0000000000000000, -0.0009672600000000 ] - [ -0.0004189200000000, 0.0000821700000000, -0.0011957300000000 ] - [ -0.0004189200000000, -0.0000821700000000, -0.0011957300000000 ] - [ 0.0024836100000000, 0.0000000000000000, 0.0004320000000000 ] - [ 0.0026230200000000, -0.0000438700000000, 0.0005084900000000 ] - [ 0.0026230200000000, 0.0000438700000000, 0.0005084900000000 ] - [ -0.0022545600000000, 0.0000000000000000, -0.0017799300000000 ] - [ 0.0000182400000000, 0.0000047100000000, -0.0014497100000000 ] - [ 0.0000182400000000, -0.0000047100000000, -0.0014497100000000 ] - [ -0.0186444200000000, 0.0000000000000000, 0.0165452200000000 ] - [ 0.0028726400000000, 0.0004236900000000, -0.0000031700000000 ] - [ 0.0028726400000000, -0.0004236900000000, -0.0000031700000000 ] - [ 0.0550874600000000, 0.0000000000000000, -0.0086587900000000 ] - [ 0.0005195100000000, -0.0001415600000000, -0.0015125800000000 ] - [ 0.0005195100000000, 0.0001415600000000, -0.0015125800000000 ] - [ 0.0014276900000000, 0.0000000000000000, -0.0000920400000000 ] - [ 0.0014321300000000, 0.0000042300000000, -0.0001721300000000 ] - [ 0.0014321300000000, -0.0000042300000000, -0.0001721300000000 ] - [ -0.0012120700000000, 0.0000000000000000, -0.0017589800000000 ] - [ 0.0004166000000000, 0.0000457100000000, -0.0003958000000000 ] - [ 0.0004166000000000, -0.0000457100000000, -0.0003958000000000 ] - [ -0.0061173200000000, 0.0000000000000000, -0.0147891800000000 ] - [ 0.0025256500000000, -0.0001254100000000, -0.0004580500000000 ] - [ 0.0025256500000000, 0.0001254100000000, -0.0004580500000000 ] - [ -0.0023057900000000, 0.0000000000000000, -0.0008831900000000 ] - [ -0.0001887000000000, 0.0000280600000000, -0.0020913400000000 ] - [ -0.0001887000000000, -0.0000280600000000, -0.0020913400000000 ] - [ -0.0072264700000000, 0.0000000000000000, 0.0147262000000000 ] - [ 0.0026016800000000, -0.0003337000000000, 0.0005821100000000 ] - [ 0.0026016800000000, 0.0003337000000000, 0.0005821100000000 ] - [ 0.0022070300000000, 0.0000000000000000, 0.0002726200000000 ] - [ 0.0024016600000000, -0.0000087900000000, 0.0002502900000000 ] - [ 0.0024016600000000, 0.0000087900000000, 0.0002502900000000 ] - [ 0.0054717000000000, -0.0000494100000000, -0.0034618900000000 ] - [ 0.0054717000000000, 0.0000494100000000, -0.0034618900000000 ] - [ 0.0055045300000000, 0.0000000000000000, -0.0034547100000000 ] - [ 0.0029351000000000, -0.0003871100000000, -0.0032182500000000 ] - [ 0.0029351000000000, 0.0003871100000000, -0.0032182500000000 ] - [ 0.0045517300000000, 0.0000000000000000, -0.0033093600000000 ] - [ 0.0049513900000000, 0.0000358100000000, -0.0025807800000000 ] - [ 0.0049513900000000, -0.0000358100000000, -0.0025807800000000 ] - [ 0.0049484800000000, 0.0000000000000000, -0.0025749200000000 ] - [ 0.0050670200000000, -0.0007640600000000, -0.0008909900000000 ] - [ 0.0050670200000000, 0.0007640600000000, -0.0008909900000000 ] - [ 0.0068494200000000, 0.0000000000000000, -0.0008067500000000 ] - [ 0.0048002400000000, 0.0000304600000000, -0.0043374900000000 ] - [ 0.0048002400000000, -0.0000304600000000, -0.0043374900000000 ] - [ 0.0047442500000000, 0.0000000000000000, -0.0043472600000000 ] - [ 0.0088202200000000, -0.0008752700000000, -0.0048659400000000 ] - [ 0.0088202200000000, 0.0008752700000000, -0.0048659400000000 ] - [ 0.0053495300000000, 0.0000000000000000, -0.0039862200000000 ] - [ 0.0109995300000000, -0.0012959000000000, 0.0056390700000000 ] - [ 0.0109995300000000, 0.0012959000000000, 0.0056390700000000 ] - [ 0.0070351200000000, 0.0000000000000000, 0.0043673100000000 ] - [ 0.0004759900000000, -0.0000114400000000, 0.0001003300000000 ] - [ 0.0004759900000000, 0.0000114400000000, 0.0001003300000000 ] - [ 0.0004383200000000, 0.0000000000000000, 0.0001022500000000 ] - [ -0.0003279000000000, 0.0000071200000000, 0.0000965700000000 ] - [ -0.0003279000000000, -0.0000071200000000, 0.0000965700000000 ] - [ -0.0003070400000000, 0.0000000000000000, 0.0000903600000000 ] - [ -0.0004971300000000, 0.0005853300000000, 0.0004103500000000 ] - [ -0.0004971300000000, -0.0005853300000000, 0.0004103500000000 ] - [ -0.0003801800000000, 0.0000000000000000, -0.0001253900000000 ] - [ -0.0000165300000000, 0.0000003800000000, 0.0000379200000000 ] - [ -0.0000165300000000, -0.0000003800000000, 0.0000379200000000 ] - [ -0.0000316800000000, 0.0000000000000000, 0.0000325300000000 ] - [ -0.0006277700000000, -0.0006968200000000, -0.0006231500000000 ] - [ -0.0006277700000000, 0.0006968200000000, -0.0006231500000000 ] - [ -0.0005855500000000, 0.0000000000000000, -0.0000430700000000 ] - [ 0.0027122200000000, 0.0058259400000000, 0.0005620200000000 ] - [ 0.0027122200000000, -0.0058259400000000, 0.0005620200000000 ] - [ 0.0001963300000000, 0.0000000000000000, 0.0000410800000000 ] - [ 0.0002329800000000, -0.0036025900000000, -0.0004427100000000 ] - [ 0.0002329800000000, 0.0036025900000000, -0.0004427100000000 ] - [ -0.0006933400000000, 0.0000000000000000, -0.0001155000000000 ] - [ -0.0290626200000000, 0.0000000000000000, 0.0010805800000000 ] - [ -0.0102002500000000, -0.0004033500000000, -0.0031038000000000 ] - [ -0.0102002500000000, 0.0004033500000000, -0.0031038000000000 ] - [ -0.0108155200000000, 0.0000000000000000, 0.0045396900000000 ] - [ -0.0111458500000000, -0.0000737700000000, 0.0051706400000000 ] - [ -0.0111458500000000, 0.0000737700000000, 0.0051706400000000 ] - [ -0.0037731100000000, 0.0000000000000000, 0.0083651200000000 ] - [ -0.0035138800000000, 0.0000609000000000, 0.0084198700000000 ] - [ -0.0035138800000000, -0.0000609000000000, 0.0084198700000000 ] - [ -0.0060033600000000, 0.0000000000000000, 0.0048633500000000 ] - [ -0.0059712600000000, -0.0000128900000000, 0.0048903800000000 ] - [ -0.0059712600000000, 0.0000128900000000, 0.0048903800000000 ] - [ -0.0066615500000000, 0.0000000000000000, 0.0058577200000000 ] - [ -0.0064735300000000, 0.0000153100000000, 0.0057871600000000 ] - [ -0.0064735300000000, -0.0000153100000000, 0.0057871600000000 ] - [ -0.0072957800000000, 0.0000000000000000, 0.0049659200000000 ] - [ -0.0074499900000000, -0.0000238300000000, 0.0047325900000000 ] - [ -0.0074499900000000, 0.0000238300000000, 0.0047325900000000 ] - [ -0.0067390900000000, 0.0000000000000000, 0.0037177000000000 ] - [ -0.0067580900000000, 0.0000227900000000, 0.0036187800000000 ] - [ -0.0067580900000000, -0.0000227900000000, 0.0036187800000000 ] - [ 0.0068988000000000, 0.0000000000000000, 0.0049106600000000 ] - [ -0.0062899900000000, -0.0001221200000000, 0.0041344100000000 ] - [ -0.0062899900000000, 0.0001221200000000, 0.0041344100000000 ] - [ 0.0085742000000000, 0.0000000000000000, 0.0018034200000000 ] - [ -0.0081726000000000, -0.0003427200000000, 0.0029909300000000 ] - [ -0.0081726000000000, 0.0003427200000000, 0.0029909300000000 ] - [ -0.0217811500000000, 0.0000000000000000, 0.0043681100000000 ] - [ -0.0076776300000000, -0.0002772500000000, 0.0050208000000000 ] - [ -0.0076776300000000, 0.0002772500000000, 0.0050208000000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005501700000000, 0.0000540800000000, -0.0000241100000000 ] - [ -0.0005207000000000, 0.0000571200000000, -0.0001041200000000 ] - [ -0.0005351600000000, -0.0001102100000000, -0.0000656400000000 ] - [ -0.0007103200000000, 0.0003091000000000, 0.0005260300000000 ] - [ 0.0004427100000000, 0.0003230200000000, -0.0004140900000000 ] - [ -0.0001321500000000, -0.0005205100000000, 0.0000561400000000 ] - [ 0.0002837500000000, 0.0002941000000000, 0.0007437200000000 ] - [ -0.0005929700000000, 0.0003068400000000, -0.0001259600000000 ] - [ -0.0001560000000000, -0.0004892000000000, 0.0003075800000000 ] - [ 0.0044778700000000, -0.0001106200000000, -0.0036973700000000 ] - [ 0.0044961800000000, -0.0001145300000000, -0.0037038900000000 ] - [ 0.0044874200000000, 0.0002266800000000, -0.0037004600000000 ] - [ 0.0096291300000000, -0.0003314300000000, -0.0035175000000000 ] - [ 0.0096430200000000, -0.0003473800000000, -0.0033717900000000 ] - [ 0.0096363100000000, 0.0006820400000000, -0.0034436800000000 ] - [ 0.0013102100000000, -0.0004923100000000, -0.0074842500000000 ] - [ 0.0014470800000000, -0.0005246800000000, -0.0069509100000000 ] - [ 0.0013796800000000, 0.0015533400000000, -0.0072126900000000 ] - [ -0.0006466700000000, -0.0001114400000000, -0.0013022800000000 ] - [ -0.0006517300000000, 0.0000571700000000, -0.0015067900000000 ] - [ -0.0006418100000000, 0.0000589900000000, -0.0011033900000000 ] - [ 0.0019728700000000, -0.0000625800000000, 0.0002556900000000 ] - [ 0.0019480500000000, 0.0000276900000000, 0.0002616600000000 ] - [ 0.0019909800000000, 0.0000289800000000, 0.0002504000000000 ] - [ -0.0003182300000000, 0.0000461300000000, -0.0019935600000000 ] - [ -0.0002872700000000, 0.0001534200000000, -0.0014873700000000 ] - [ -0.0003501000000000, 0.0001568500000000, -0.0024660700000000 ] - [ 0.0019453900000000, -0.0000804100000000, 0.0000536800000000 ] - [ 0.0019770400000000, 0.0000363600000000, 0.0000671000000000 ] - [ 0.0019179400000000, 0.0000380000000000, 0.0000415200000000 ] - [ -0.0000499200000000, -0.0001010600000000, -0.0013341500000000 ] - [ -0.0000711000000000, 0.0000511200000000, -0.0010701900000000 ] - [ -0.0000295400000000, 0.0000533100000000, -0.0015825000000000 ] - [ 0.0022836300000000, -0.0003291400000000, -0.0000891000000000 ] - [ 0.0021304900000000, 0.0001360200000000, -0.0003511000000000 ] - [ 0.0024260300000000, 0.0001389500000000, 0.0001622200000000 ] - [ 0.0003462100000000, 0.0000138800000000, -0.0012284900000000 ] - [ 0.0003057000000000, 0.0001444300000000, -0.0015851400000000 ] - [ 0.0003809000000000, 0.0001471000000000, -0.0008921000000000 ] - [ -0.0004995100000000, -0.0024564100000000, -0.0019369300000000 ] - [ 0.0002909800000000, 0.0020703200000000, -0.0017862900000000 ] - [ -0.0012929000000000, 0.0020519600000000, -0.0020971800000000 ] - [ 0.0025188400000000, -0.0039388800000000, 0.0005610500000000 ] - [ 0.0015716600000000, 0.0011189000000000, 0.0000222100000000 ] - [ 0.0033856200000000, 0.0011178500000000, 0.0010516200000000 ] - [ -0.0004715500000000, 0.0007924700000000, -0.0010862100000000 ] - [ -0.0005525300000000, 0.0016066700000000, -0.0038560700000000 ] - [ -0.0004037800000000, 0.0015973500000000, 0.0015020700000000 ] - [ 0.0026034600000000, -0.0002681600000000, 0.0004436800000000 ] - [ 0.0027347000000000, 0.0001209900000000, 0.0002135200000000 ] - [ 0.0024782200000000, 0.0001240600000000, 0.0006658500000000 ] - [ 0.0001301600000000, -0.0004718300000000, -0.0015042600000000 ] - [ 0.0001409300000000, 0.0002915900000000, -0.0023436800000000 ] - [ 0.0001231000000000, 0.0002946400000000, -0.0006909400000000 ] - [ 0.0030133600000000, -0.0053974200000000, -0.0003812600000000 ] - [ 0.0016430200000000, 0.0013045500000000, 0.0000387800000000 ] - [ 0.0042210000000000, 0.0013047300000000, -0.0007325400000000 ] - [ -0.0003849600000000, -0.0550722400000000, -0.0012638500000000 ] - [ -0.0004227300000000, 0.0025061400000000, -0.0018145800000000 ] - [ -0.0001430300000000, 0.0025016100000000, -0.0010089600000000 ] - [ 0.0014229900000000, -0.0002206100000000, -0.0001887700000000 ] - [ 0.0012340200000000, 0.0000703900000000, 0.0000689700000000 ] - [ 0.0015964400000000, 0.0000735900000000, -0.0004311500000000 ] - [ 0.0004406200000000, 0.0020511500000000, -0.0005783600000000 ] - [ 0.0002384900000000, 0.0016504200000000, 0.0028944600000000 ] - [ 0.0005962300000000, 0.0016449100000000, -0.0037626100000000 ] - [ 0.0022904400000000, -0.0047957000000000, -0.0002011400000000 ] - [ 0.0035304600000000, 0.0012194600000000, 0.0002357300000000 ] - [ 0.0011749300000000, 0.0012199700000000, -0.0005606700000000 ] - [ -0.0001241000000000, -0.0002906800000000, -0.0020717400000000 ] - [ -0.0001510600000000, 0.0002016700000000, -0.0011984500000000 ] - [ -0.0000996300000000, 0.0002049100000000, -0.0029106000000000 ] - [ 0.0023891000000000, -0.0048545700000000, 0.0002229000000000 ] - [ 0.0033303300000000, 0.0011701400000000, -0.0004416400000000 ] - [ 0.0015390300000000, 0.0011681900000000, 0.0008068800000000 ] - [ 0.0024072300000000, -0.0001725500000000, 0.0002561000000000 ] - [ 0.0026066200000000, 0.0001002800000000, 0.0005318400000000 ] - [ 0.0022210300000000, 0.0001039300000000, -0.0000057000000000 ] - [ 0.0055197300000000, -0.0002737200000000, -0.0032605200000000 ] - [ 0.0055343300000000, -0.0002820700000000, -0.0036772900000000 ] - [ 0.0055272600000000, 0.0005566500000000, -0.0034698800000000 ] - [ 0.0043866400000000, -0.0011347000000000, -0.0023200600000000 ] - [ 0.0049156700000000, -0.0011577900000000, -0.0045071600000000 ] - [ 0.0046503300000000, 0.0022307500000000, -0.0034087700000000 ] - [ 0.0049450600000000, -0.0000920400000000, -0.0025803900000000 ] - [ 0.0049492600000000, -0.0001003200000000, -0.0025814700000000 ] - [ 0.0049471400000000, 0.0003299400000000, -0.0025807900000000 ] - [ 0.0066391000000000, -0.0013498800000000, -0.0015864800000000 ] - [ 0.0072074600000000, -0.0013829600000000, 0.0002570600000000 ] - [ 0.0069228400000000, 0.0027110800000000, -0.0006691400000000 ] - [ 0.0046811500000000, -0.0003317500000000, -0.0039351700000000 ] - [ 0.0047576500000000, -0.0003520700000000, -0.0047343800000000 ] - [ 0.0047197300000000, 0.0012119200000000, -0.0043395600000000 ] - [ 0.0059701100000000, 0.0102844900000000, 0.0099773400000000 ] - [ 0.0044190700000000, 0.0103906400000000, -0.0181978300000000 ] - [ 0.0052009700000000, 0.0044890900000000, -0.0040051900000000 ] - [ 0.0079951800000000, 0.0137455000000000, -0.0120839000000000 ] - [ 0.0057426000000000, 0.0138268800000000, 0.0210578700000000 ] - [ 0.0068760700000000, 0.0059211100000000, 0.0043742200000000 ] - [ 0.0004737900000000, 0.0001128400000000, 0.0001947800000000 ] - [ 0.0003904400000000, 0.0001195900000000, 0.0000245300000000 ] - [ 0.0004315500000000, -0.0002373000000000, 0.0001077200000000 ] - [ -0.0003313100000000, 0.0001030000000000, 0.0000094900000000 ] - [ -0.0002750300000000, 0.0001090400000000, 0.0001697700000000 ] - [ -0.0003022900000000, -0.0002114200000000, 0.0000906500000000 ] - [ -0.0012317100000000, 0.0005825600000000, -0.0011442300000000 ] - [ 0.0004422000000000, 0.0006019900000000, 0.0008151200000000 ] - [ -0.0003935200000000, -0.0009603100000000, -0.0001648900000000 ] - [ -0.0000117400000000, 0.0001050600000000, -0.0000338700000000 ] - [ -0.0000593100000000, 0.0001089600000000, 0.0001328900000000 ] - [ -0.0000360400000000, -0.0002107400000000, 0.0000504400000000 ] - [ 0.0001618100000000, 0.0005701500000000, -0.0009007600000000 ] - [ -0.0013258100000000, 0.0005901400000000, 0.0009868600000000 ] - [ -0.0005838200000000, -0.0010054800000000, 0.0000434700000000 ] - [ -0.0058440600000000, -0.0015119100000000, -0.0005026900000000 ] - [ 0.0059781400000000, -0.0014237200000000, 0.0005509500000000 ] - [ 0.0000908400000000, -0.0019251800000000, 0.0000280600000000 ] - [ 0.0031926100000000, 0.0007665400000000, -0.0005391000000000 ] - [ -0.0042556200000000, 0.0009404100000000, 0.0001998200000000 ] - [ -0.0006079800000000, -0.0020635600000000, -0.0001628400000000 ] - [ -0.0094636600000000, 0.0206080300000000, -0.0035074700000000 ] - [ -0.0091930200000000, -0.0128342300000000, -0.0054288800000000 ] - [ -0.0096753500000000, -0.0127996400000000, -0.0012340200000000 ] - [ -0.0111843000000000, 0.0006348500000000, 0.0051973000000000 ] - [ -0.0110761400000000, -0.0003130000000000, 0.0043789400000000 ] - [ -0.0112848000000000, -0.0003267500000000, 0.0059802100000000 ] - [ -0.0034554500000000, 0.0011220000000000, 0.0085466400000000 ] - [ -0.0038416600000000, -0.0008041100000000, 0.0059227200000000 ] - [ -0.0030880000000000, -0.0008300700000000, 0.0110360600000000 ] - [ -0.0059703600000000, 0.0001915200000000, 0.0049191400000000 ] - [ -0.0059681100000000, -0.0000948900000000, 0.0048884600000000 ] - [ -0.0059684200000000, -0.0000975400000000, 0.0049477800000000 ] - [ -0.0063967300000000, 0.0009272800000000, 0.0057430900000000 ] - [ -0.0064192500000000, -0.0006351400000000, 0.0075193800000000 ] - [ -0.0063706500000000, -0.0006484900000000, 0.0040383600000000 ] - [ -0.0075231300000000, 0.0006126300000000, 0.0047696600000000 ] - [ -0.0074713200000000, -0.0003042600000000, 0.0053915700000000 ] - [ -0.0075725600000000, -0.0003131300000000, 0.0041710500000000 ] - [ -0.0067566300000000, 0.0000943500000000, 0.0036438900000000 ] - [ -0.0067540300000000, -0.0001705400000000, 0.0035871100000000 ] - [ -0.0067592600000000, -0.0001788100000000, 0.0036948100000000 ] - [ -0.0069529500000000, 0.0031590200000000, 0.0044845600000000 ] - [ -0.0069881100000000, -0.0015346300000000, 0.0059760400000000 ] - [ -0.0069234200000000, -0.0015412800000000, 0.0030033400000000 ] - [ -0.0087666800000000, 0.0033305000000000, 0.0024887900000000 ] - [ -0.0087183100000000, -0.0016039900000000, 0.0009586300000000 ] - [ -0.0088066500000000, -0.0016206200000000, 0.0040219000000000 ] - [ -0.0070039900000000, 0.0162423600000000, 0.0052607600000000 ] - [ -0.0070286100000000, -0.0089183700000000, 0.0072722100000000 ] - [ -0.0069709400000000, -0.0088674700000000, 0.0030641400000000 ]- atom: 58 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0003743900000000, 0.0003394300000000, -0.0013426000000000 ] - [ -0.0003743900000000, -0.0003394300000000, -0.0013426000000000 ] - [ -0.0004390800000000, 0.0000000000000000, -0.0009912700000000 ] - [ 0.0014669400000000, 0.0018118200000000, -0.0006055100000000 ] - [ 0.0014669400000000, -0.0018118200000000, -0.0006055100000000 ] - [ 0.0002324500000000, 0.0000000000000000, 0.0001333700000000 ] - [ -0.0014140200000000, 0.0019812700000000, -0.0007966200000000 ] - [ -0.0014140200000000, -0.0019812700000000, -0.0007966200000000 ] - [ -0.0004316500000000, 0.0000000000000000, 0.0002608900000000 ] - [ 0.0046589800000000, -0.0001197700000000, -0.0019704800000000 ] - [ 0.0046589800000000, 0.0001197700000000, -0.0019704800000000 ] - [ 0.0046216500000000, 0.0000000000000000, -0.0022736700000000 ] - [ 0.0095957900000000, -0.0022025400000000, -0.0022925900000000 ] - [ 0.0095957900000000, 0.0022025400000000, -0.0022925900000000 ] - [ 0.0095479200000000, 0.0000000000000000, -0.0026935900000000 ] - [ 0.0018122400000000, -0.0043243800000000, -0.0045907000000000 ] - [ 0.0018122400000000, 0.0043243800000000, -0.0045907000000000 ] - [ 0.0016018500000000, 0.0000000000000000, -0.0057829700000000 ] - [ -0.0006560700000000, 0.0000000000000000, 0.0043219200000000 ] - [ -0.0006537400000000, -0.0001783900000000, 0.0022680200000000 ] - [ -0.0006537400000000, 0.0001783900000000, 0.0022680200000000 ] - [ 0.0020884700000000, 0.0000000000000000, 0.0022736300000000 ] - [ 0.0020499100000000, 0.0000021500000000, 0.0015482100000000 ] - [ 0.0020499100000000, -0.0000021500000000, 0.0015482100000000 ] - [ -0.0001923000000000, 0.0000000000000000, 0.0092215100000000 ] - [ -0.0002176300000000, 0.0004593100000000, 0.0031444700000000 ] - [ -0.0002176300000000, -0.0004593100000000, 0.0031444700000000 ] - [ 0.0021365700000000, 0.0000000000000000, 0.0024693000000000 ] - [ 0.0020618200000000, 0.0000080300000000, 0.0016737200000000 ] - [ 0.0020618200000000, -0.0000080300000000, 0.0016737200000000 ] - [ 0.0000974300000000, 0.0000000000000000, 0.0051773700000000 ] - [ 0.0001455700000000, 0.0002406100000000, 0.0025360300000000 ] - [ 0.0001455700000000, -0.0002406100000000, 0.0025360300000000 ] - [ 0.0041788300000000, 0.0000000000000000, 0.0029687400000000 ] - [ 0.0028628600000000, -0.0005413500000000, 0.0009372600000000 ] - [ 0.0028628600000000, 0.0005413500000000, 0.0009372600000000 ] - [ 0.0008471900000000, 0.0000000000000000, 0.0078149400000000 ] - [ 0.0003982400000000, -0.0003010700000000, 0.0033183800000000 ] - [ 0.0003982400000000, 0.0003010700000000, 0.0033183800000000 ] - [ -0.0013681900000000, 0.0000000000000000, -0.0204851600000000 ] - [ -0.0007603500000000, -0.0003067400000000, -0.0089800900000000 ] - [ -0.0007603500000000, 0.0003067400000000, -0.0089800900000000 ] - [ 0.0227694700000000, 0.0000000000000000, 0.0065936000000000 ] - [ 0.0040043200000000, -0.0014811800000000, -0.0014644500000000 ] - [ 0.0040043200000000, 0.0014811800000000, -0.0014644500000000 ] - [ 0.0015027700000000, 0.0000000000000000, 0.0315947500000000 ] - [ -0.0005271800000000, -0.0026192800000000, 0.0011504700000000 ] - [ -0.0005271800000000, 0.0026192800000000, 0.0011504700000000 ] - [ 0.0012015600000000, 0.0000000000000000, 0.0032085900000000 ] - [ 0.0021888100000000, -0.0005758400000000, 0.0015285400000000 ] - [ 0.0021888100000000, 0.0005758400000000, 0.0015285400000000 ] - [ -0.0011371500000000, 0.0000000000000000, 0.0027466100000000 ] - [ -0.0000210800000000, -0.0007647300000000, -0.0018384100000000 ] - [ -0.0000210800000000, 0.0007647300000000, -0.0018384100000000 ] - [ -0.0272427200000000, 0.0000000000000000, 0.0042040400000000 ] - [ 0.0009263600000000, 0.0015068700000000, -0.0026191900000000 ] - [ 0.0009263600000000, -0.0015068700000000, -0.0026191900000000 ] - [ 0.0073945500000000, 0.0000000000000000, -0.2476640500000000 ] - [ -0.0001726100000000, 0.0003974400000000, -0.0136969000000000 ] - [ -0.0001726100000000, -0.0003974400000000, -0.0136969000000000 ] - [ -0.0013689500000000, 0.0000000000000000, 0.0030389700000000 ] - [ 0.0007720700000000, 0.0004315500000000, 0.0006361700000000 ] - [ 0.0007720700000000, -0.0004315500000000, 0.0006361700000000 ] - [ -0.0087377500000000, 0.0000000000000000, 0.0494108800000000 ] - [ 0.0005608300000000, 0.0024670100000000, 0.0018956400000000 ] - [ 0.0005608300000000, -0.0024670100000000, 0.0018956400000000 ] - [ 0.0308527400000000, 0.0000000000000000, 0.0114179900000000 ] - [ 0.0043264700000000, 0.0017105400000000, -0.0017458000000000 ] - [ 0.0043264700000000, -0.0017105400000000, -0.0017458000000000 ] - [ -0.0001264100000000, 0.0000000000000000, 0.0025937300000000 ] - [ -0.0002197100000000, 0.0005525500000000, -0.0022556300000000 ] - [ -0.0002197100000000, -0.0005525500000000, -0.0022556300000000 ] - [ -0.0233606900000000, 0.0000000000000000, 0.0133249200000000 ] - [ 0.0005384100000000, -0.0016243800000000, -0.0016182700000000 ] - [ 0.0005384100000000, 0.0016243800000000, -0.0016182700000000 ] - [ 0.0051400600000000, 0.0000000000000000, 0.0033954000000000 ] - [ 0.0030862500000000, 0.0005399700000000, 0.0011331500000000 ] - [ 0.0030862500000000, -0.0005399700000000, 0.0011331500000000 ] - [ 0.0054496300000000, 0.0014124000000000, -0.0020121200000000 ] - [ 0.0054496300000000, -0.0014124000000000, -0.0020121200000000 ] - [ 0.0055268200000000, 0.0000000000000000, -0.0027261700000000 ] - [ 0.0042447100000000, 0.0039807800000000, -0.0058397600000000 ] - [ 0.0042447100000000, -0.0039807800000000, -0.0058397600000000 ] - [ 0.0046143600000000, 0.0000000000000000, -0.0050880900000000 ] - [ 0.0047512000000000, -0.0001474700000000, -0.0004983500000000 ] - [ 0.0047512000000000, 0.0001474700000000, -0.0004983500000000 ] - [ 0.0047879200000000, 0.0000000000000000, -0.0008670800000000 ] - [ 0.0073147000000000, -0.0049455400000000, -0.0033949100000000 ] - [ 0.0073147000000000, 0.0049455400000000, -0.0033949100000000 ] - [ 0.0069782700000000, 0.0000000000000000, -0.0022895500000000 ] - [ 0.0047233800000000, 0.0027637000000000, -0.0017673100000000 ] - [ 0.0047233800000000, -0.0027637000000000, -0.0017673100000000 ] - [ 0.0047953100000000, 0.0000000000000000, -0.0028949100000000 ] - [ 0.0067722800000000, 0.0267755200000000, 0.0056931700000000 ] - [ 0.0067722800000000, -0.0267755200000000, 0.0056931700000000 ] - [ 0.0055569900000000, 0.0000000000000000, -0.0062892600000000 ] - [ 0.0047122300000000, -0.0340867100000000, 0.0131116900000000 ] - [ 0.0047122300000000, 0.0340867100000000, 0.0131116900000000 ] - [ 0.0063898000000000, 0.0000000000000000, 0.0022414300000000 ] - [ -0.0000012200000000, 0.0007095200000000, -0.0024111700000000 ] - [ -0.0000012200000000, -0.0007095200000000, -0.0024111700000000 ] - [ 0.0001862000000000, 0.0000000000000000, -0.0017106700000000 ] - [ -0.0005430200000000, -0.0004759400000000, -0.0021999500000000 ] - [ -0.0005430200000000, 0.0004759400000000, -0.0021999500000000 ] - [ -0.0004418300000000, 0.0000000000000000, -0.0016290900000000 ] - [ -0.0027921200000000, -0.0028288800000000, -0.0022033600000000 ] - [ -0.0027921200000000, 0.0028288800000000, -0.0022033600000000 ] - [ -0.0010450900000000, 0.0000000000000000, -0.0002656700000000 ] - [ 0.0001631000000000, -0.0004513300000000, -0.0024164200000000 ] - [ 0.0001631000000000, 0.0004513300000000, -0.0024164200000000 ] - [ 0.0000765600000000, 0.0000000000000000, -0.0018082900000000 ] - [ 0.0016537900000000, -0.0035321700000000, -0.0025748500000000 ] - [ 0.0016537900000000, 0.0035321700000000, -0.0025748500000000 ] - [ 0.0000315100000000, 0.0000000000000000, -0.0001585900000000 ] - [ -0.0015309900000000, -0.0012134700000000, 0.0119309300000000 ] - [ -0.0015309900000000, 0.0012134700000000, 0.0119309300000000 ] - [ 0.0002269400000000, 0.0000000000000000, 0.0040794000000000 ] - [ 0.0008609300000000, -0.0013751300000000, 0.0121454700000000 ] - [ 0.0008609300000000, 0.0013751300000000, 0.0121454700000000 ] - [ -0.0007699300000000, 0.0000000000000000, 0.0036187900000000 ] - [ 0.0030863800000000, 0.0000000000000000, 0.0707020400000000 ] - [ -0.0098744100000000, -0.0186005900000000, 0.0048995100000000 ] - [ -0.0098744100000000, 0.0186005900000000, 0.0048995100000000 ] - [ -0.0100646800000000, 0.0000000000000000, -0.0034956700000000 ] - [ -0.0109443300000000, -0.0019151900000000, 0.0021206500000000 ] - [ -0.0109443300000000, 0.0019151900000000, 0.0021206500000000 ] - [ -0.0065431900000000, 0.0000000000000000, -0.0163568500000000 ] - [ -0.0042002400000000, -0.0034938200000000, 0.0026667100000000 ] - [ -0.0042002400000000, 0.0034938200000000, 0.0026667100000000 ] - [ -0.0067468800000000, 0.0000000000000000, -0.0022983100000000 ] - [ -0.0064944800000000, -0.0000868400000000, 0.0000930400000000 ] - [ -0.0064944800000000, 0.0000868400000000, 0.0000930400000000 ] - [ -0.0067716000000000, 0.0000000000000000, -0.0103292200000000 ] - [ -0.0065250100000000, 0.0020918300000000, 0.0009176500000000 ] - [ -0.0065250100000000, -0.0020918300000000, 0.0009176500000000 ] - [ -0.0079585900000000, 0.0000000000000000, -0.0023296600000000 ] - [ -0.0076121800000000, 0.0013044200000000, 0.0019966800000000 ] - [ -0.0076121800000000, -0.0013044200000000, 0.0019966800000000 ] - [ -0.0061639100000000, 0.0000000000000000, -0.0063885400000000 ] - [ -0.0063742600000000, -0.0001015000000000, -0.0024872200000000 ] - [ -0.0063742600000000, 0.0001015000000000, -0.0024872200000000 ] - [ -0.0047080500000000, 0.0000000000000000, 0.0144905600000000 ] - [ -0.0069315900000000, 0.0028412700000000, 0.0095343700000000 ] - [ -0.0069315900000000, -0.0028412700000000, 0.0095343700000000 ] - [ -0.0091832000000000, 0.0000000000000000, 0.0138747300000000 ] - [ -0.0085483600000000, -0.0033563200000000, 0.0080255600000000 ] - [ -0.0085483600000000, 0.0033563200000000, 0.0080255600000000 ] - [ -0.0091509800000000, 0.0000000000000000, 0.0051849800000000 ] - [ -0.0062997500000000, 0.0141096400000000, 0.0119437900000000 ] - [ -0.0062997500000000, -0.0141096400000000, 0.0119437900000000 ]- atom: 58 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0006947700000000, -0.0003362700000000, 0.0012121800000000 ] - [ -0.0006947700000000, 0.0003362700000000, 0.0012121800000000 ] - [ -0.0006310400000000, 0.0000000000000000, 0.0008634200000000 ] - [ -0.0017251700000000, -0.0018052100000000, 0.0007396800000000 ] - [ -0.0017251700000000, 0.0018052100000000, 0.0007396800000000 ] - [ -0.0004966500000000, 0.0000000000000000, -0.0000116200000000 ] - [ 0.0010993600000000, -0.0019727300000000, 0.0014304100000000 ] - [ 0.0010993600000000, 0.0019727300000000, 0.0014304100000000 ] - [ 0.0001212700000000, 0.0000000000000000, 0.0003670100000000 ] - [ 0.0043153300000000, 0.0001118200000000, -0.0054331600000000 ] - [ 0.0043153300000000, -0.0001118200000000, -0.0054331600000000 ] - [ 0.0043525800000000, 0.0000000000000000, -0.0051292700000000 ] - [ 0.0096788000000000, 0.0021906100000000, -0.0046054800000000 ] - [ 0.0096788000000000, -0.0021906100000000, -0.0046054800000000 ] - [ 0.0097261600000000, 0.0000000000000000, -0.0042044000000000 ] - [ 0.0009474000000000, 0.0042813700000000, -0.0098356700000000 ] - [ 0.0009474000000000, -0.0042813700000000, -0.0098356700000000 ] - [ 0.0011552500000000, 0.0000000000000000, -0.0086550200000000 ] - [ -0.0006353200000000, 0.0000000000000000, -0.0069393400000000 ] - [ -0.0006396300000000, 0.0001811100000000, -0.0048710200000000 ] - [ -0.0006396300000000, -0.0001811100000000, -0.0048710200000000 ] - [ 0.0018489100000000, 0.0000000000000000, -0.0017651700000000 ] - [ 0.0018873300000000, -0.0000002900000000, -0.0010383900000000 ] - [ 0.0018873300000000, 0.0000002900000000, -0.0010383900000000 ] - [ -0.0004479000000000, 0.0000000000000000, -0.0131484200000000 ] - [ -0.0004208500000000, -0.0004541700000000, -0.0071170800000000 ] - [ -0.0004208500000000, 0.0004541700000000, -0.0071170800000000 ] - [ 0.0017624500000000, 0.0000000000000000, -0.0023637700000000 ] - [ 0.0018345400000000, -0.0000056000000000, -0.0015677300000000 ] - [ 0.0018345400000000, 0.0000056000000000, -0.0015677300000000 ] - [ -0.0001938700000000, 0.0000000000000000, -0.0078467700000000 ] - [ -0.0002440500000000, -0.0002385200000000, -0.0052114300000000 ] - [ -0.0002440500000000, 0.0002385200000000, -0.0052114300000000 ] - [ 0.0003559800000000, 0.0000000000000000, -0.0031683700000000 ] - [ 0.0016887500000000, 0.0005461800000000, -0.0011175700000000 ] - [ 0.0016887500000000, -0.0005461800000000, -0.0011175700000000 ] - [ -0.0001684600000000, 0.0000000000000000, -0.0103307900000000 ] - [ 0.0002886000000000, 0.0003063500000000, -0.0057945100000000 ] - [ 0.0002886000000000, -0.0003063500000000, -0.0057945100000000 ] - [ 0.0003588500000000, 0.0000000000000000, 0.0166323100000000 ] - [ -0.0002720200000000, 0.0002604700000000, 0.0051059300000000 ] - [ -0.0002720200000000, -0.0002604700000000, 0.0051059300000000 ] - [ -0.0179613000000000, 0.0000000000000000, -0.0054533300000000 ] - [ 0.0009462900000000, 0.0014755000000000, 0.0025726900000000 ] - [ 0.0009462900000000, -0.0014755000000000, 0.0025726900000000 ] - [ -0.0024751400000000, 0.0000000000000000, -0.0344277400000000 ] - [ -0.0004281700000000, 0.0026356200000000, -0.0034546800000000 ] - [ -0.0004281700000000, -0.0026356200000000, -0.0034546800000000 ] - [ 0.0040387600000000, 0.0000000000000000, -0.0023415500000000 ] - [ 0.0030293300000000, 0.0005815700000000, -0.0006420400000000 ] - [ 0.0030293300000000, -0.0005815700000000, -0.0006420400000000 ] - [ 0.0014259400000000, 0.0000000000000000, -0.0057593800000000 ] - [ 0.0002860900000000, 0.0007685500000000, -0.0011438800000000 ] - [ 0.0002860900000000, -0.0007685500000000, -0.0011438800000000 ] - [ 0.0330432000000000, 0.0000000000000000, -0.0050760100000000 ] - [ 0.0049419600000000, -0.0015215000000000, 0.0019016800000000 ] - [ 0.0049419600000000, 0.0015215000000000, 0.0019016800000000 ] - [ -0.0074788000000000, 0.0000000000000000, 0.2404843600000000 ] - [ -0.0003845000000000, -0.0004081400000000, 0.0108886400000000 ] - [ -0.0003845000000000, 0.0004081400000000, 0.0108886400000000 ] - [ 0.0041654300000000, 0.0000000000000000, -0.0033973200000000 ] - [ 0.0020530900000000, -0.0004283200000000, -0.0010096900000000 ] - [ 0.0020530900000000, 0.0004283200000000, -0.0010096900000000 ] - [ 0.0094130500000000, 0.0000000000000000, -0.0496244000000000 ] - [ 0.0002758400000000, -0.0024661900000000, -0.0028480900000000 ] - [ 0.0002758400000000, 0.0024661900000000, -0.0028480900000000 ] - [ -0.0257534900000000, 0.0000000000000000, -0.0117667400000000 ] - [ 0.0003773200000000, -0.0017222900000000, 0.0014009900000000 ] - [ 0.0003773200000000, 0.0017222900000000, 0.0014009900000000 ] - [ -0.0001062700000000, 0.0000000000000000, -0.0067741800000000 ] - [ -0.0000307500000000, -0.0005530100000000, -0.0019138200000000 ] - [ -0.0000307500000000, 0.0005530100000000, -0.0019138200000000 ] - [ 0.0286831500000000, 0.0000000000000000, -0.0129930100000000 ] - [ 0.0043455500000000, 0.0016191300000000, 0.0020183200000000 ] - [ 0.0043455500000000, -0.0016191300000000, 0.0020183200000000 ] - [ -0.0002723200000000, 0.0000000000000000, -0.0028683100000000 ] - [ 0.0017456900000000, -0.0005362900000000, -0.0006195600000000 ] - [ 0.0017456900000000, 0.0005362900000000, -0.0006195600000000 ] - [ 0.0056054900000000, -0.0014277400000000, -0.0049205500000000 ] - [ 0.0056054900000000, 0.0014277400000000, -0.0049205500000000 ] - [ 0.0055274000000000, 0.0000000000000000, -0.0042032100000000 ] - [ 0.0050575900000000, -0.0039994400000000, -0.0009243400000000 ] - [ 0.0050575900000000, 0.0039994400000000, -0.0009243400000000 ] - [ 0.0046869800000000, 0.0000000000000000, -0.0017064900000000 ] - [ 0.0051431200000000, 0.0001369400000000, -0.0046658600000000 ] - [ 0.0051431200000000, -0.0001369400000000, -0.0046658600000000 ] - [ 0.0051059700000000, 0.0000000000000000, -0.0042970000000000 ] - [ 0.0065337800000000, 0.0049512300000000, 0.0020199400000000 ] - [ 0.0065337800000000, -0.0049512300000000, 0.0020199400000000 ] - [ 0.0068684200000000, 0.0000000000000000, 0.0009346500000000 ] - [ 0.0047146100000000, -0.0028006600000000, -0.0069158400000000 ] - [ 0.0047146100000000, 0.0028006600000000, -0.0069158400000000 ] - [ 0.0046426700000000, 0.0000000000000000, -0.0057750100000000 ] - [ 0.0036108100000000, -0.0271053000000000, -0.0136686600000000 ] - [ 0.0036108100000000, 0.0271053000000000, -0.0136686600000000 ] - [ 0.0048425100000000, 0.0000000000000000, -0.0016971200000000 ] - [ 0.0090248300000000, 0.0338682000000000, -0.0044868700000000 ] - [ 0.0090248300000000, -0.0338682000000000, -0.0044868700000000 ] - [ 0.0073629400000000, 0.0000000000000000, 0.0064860300000000 ] - [ 0.0008593900000000, -0.0007028100000000, 0.0026298100000000 ] - [ 0.0008593900000000, 0.0007028100000000, 0.0026298100000000 ] - [ 0.0006753500000000, 0.0000000000000000, 0.0019322700000000 ] - [ -0.0000583500000000, 0.0004821500000000, 0.0023818500000000 ] - [ -0.0000583500000000, -0.0004821500000000, 0.0023818500000000 ] - [ -0.0001606100000000, 0.0000000000000000, 0.0018077700000000 ] - [ 0.0020263700000000, 0.0028522400000000, 0.0018481100000000 ] - [ 0.0020263700000000, -0.0028522400000000, 0.0018481100000000 ] - [ 0.0002604700000000, 0.0000000000000000, -0.0000881100000000 ] - [ -0.0002394100000000, 0.0004593200000000, 0.0025187400000000 ] - [ -0.0002394100000000, -0.0004593200000000, 0.0025187400000000 ] - [ -0.0001511100000000, 0.0000000000000000, 0.0019065300000000 ] - [ -0.0028396300000000, 0.0035655300000000, 0.0026448100000000 ] - [ -0.0028396300000000, -0.0035655300000000, 0.0026448100000000 ] - [ -0.0012017200000000, 0.0000000000000000, 0.0002207600000000 ] - [ 0.0015339100000000, 0.0010327500000000, -0.0119292700000000 ] - [ 0.0015339100000000, -0.0010327500000000, -0.0119292700000000 ] - [ -0.0000397100000000, 0.0000000000000000, -0.0040387000000000 ] - [ -0.0018954500000000, 0.0011885100000000, -0.0125253300000000 ] - [ -0.0018954500000000, -0.0011885100000000, -0.0125253300000000 ] - [ -0.0004519600000000, 0.0000000000000000, -0.0039585300000000 ] - [ -0.0223295500000000, 0.0000000000000000, -0.0689107300000000 ] - [ -0.0090033500000000, 0.0186235600000000, -0.0114793900000000 ] - [ -0.0090033500000000, -0.0186235600000000, -0.0114793900000000 ] - [ -0.0123037200000000, 0.0000000000000000, 0.0139160500000000 ] - [ -0.0114225700000000, 0.0019054100000000, 0.0082966000000000 ] - [ -0.0114225700000000, -0.0019054100000000, 0.0082966000000000 ] - [ -0.0003918400000000, 0.0000000000000000, 0.0332082300000000 ] - [ -0.0027201000000000, 0.0034626100000000, 0.0143618700000000 ] - [ -0.0027201000000000, -0.0034626100000000, 0.0143618700000000 ] - [ -0.0051931300000000, 0.0000000000000000, 0.0121439900000000 ] - [ -0.0054414300000000, 0.0000793000000000, 0.0097512300000000 ] - [ -0.0054414300000000, -0.0000793000000000, 0.0097512300000000 ] - [ -0.0060117000000000, 0.0000000000000000, 0.0219992300000000 ] - [ -0.0062652900000000, -0.0021197500000000, 0.0106105900000000 ] - [ -0.0062652900000000, 0.0021197500000000, 0.0106105900000000 ] - [ -0.0070875300000000, 0.0000000000000000, 0.0118836400000000 ] - [ -0.0074333500000000, -0.0013157400000000, 0.0075324300000000 ] - [ -0.0074333500000000, 0.0013157400000000, 0.0075324300000000 ] - [ -0.0073491300000000, 0.0000000000000000, 0.0136826500000000 ] - [ -0.0071402400000000, 0.0000958400000000, 0.0097785900000000 ] - [ -0.0071402400000000, -0.0000958400000000, 0.0097785900000000 ] - [ -0.0093122600000000, 0.0000000000000000, -0.0056262600000000 ] - [ -0.0069819100000000, -0.0028363800000000, -0.0006473200000000 ] - [ -0.0069819100000000, 0.0028363800000000, -0.0006473200000000 ] - [ -0.0084892400000000, 0.0000000000000000, -0.0087896000000000 ] - [ -0.0089750700000000, 0.0033762600000000, -0.0029719500000000 ] - [ -0.0089750700000000, -0.0033762600000000, -0.0029719500000000 ] - [ -0.0051046800000000, 0.0000000000000000, 0.0014776100000000 ] - [ -0.0077077000000000, -0.0141793300000000, -0.0016913600000000 ] - [ -0.0077077000000000, 0.0141793300000000, -0.0016913600000000 ]- atom: 61 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ 0.0034604600000000, 0.0007908000000000, -0.0007788800000000 ] - [ 0.0034604600000000, -0.0007908000000000, -0.0007788800000000 ] - [ -0.0000712300000000, 0.0000000000000000, -0.0000315500000000 ] - [ 0.0033595900000000, -0.0001617600000000, 0.0002619600000000 ] - [ 0.0033595900000000, 0.0001617600000000, 0.0002619600000000 ] - [ 0.0005128400000000, 0.0000000000000000, 0.0000911600000000 ] - [ -0.0028491800000000, -0.0003536500000000, 0.0001191700000000 ] - [ -0.0028491800000000, 0.0003536500000000, 0.0001191700000000 ] - [ -0.0006849500000000, 0.0000000000000000, 0.0004130900000000 ] - [ 0.0047643400000000, 0.0017407700000000, -0.0049248200000000 ] - [ 0.0047643400000000, -0.0017407700000000, -0.0049248200000000 ] - [ 0.0045971000000000, 0.0000000000000000, -0.0041192500000000 ] - [ 0.0216009500000000, 0.0312589800000000, -0.0025358500000000 ] - [ 0.0216009500000000, -0.0312589800000000, -0.0025358500000000 ] - [ 0.0109452700000000, 0.0000000000000000, -0.0038718500000000 ] - [ 0.0154582300000000, -0.0307360400000000, -0.0087288600000000 ] - [ 0.0154582300000000, 0.0307360400000000, -0.0087288600000000 ] - [ 0.0018840000000000, 0.0000000000000000, -0.0069516400000000 ] - [ -0.0002336800000000, 0.0000000000000000, -0.0030902500000000 ] - [ -0.0005872100000000, -0.0001537100000000, -0.0017750900000000 ] - [ -0.0005872100000000, 0.0001537100000000, -0.0017750900000000 ] - [ -0.0032862300000000, 0.0000000000000000, 0.0005896000000000 ] - [ 0.0008209500000000, 0.0000342300000000, 0.0002711600000000 ] - [ 0.0008209500000000, -0.0000342300000000, 0.0002711600000000 ] - [ 0.0200281100000000, 0.0000000000000000, 0.0269058500000000 ] - [ 0.0000640500000000, 0.0012432700000000, 0.0001385300000000 ] - [ 0.0000640500000000, -0.0012432700000000, 0.0001385300000000 ] - [ 0.0085281400000000, 0.0000000000000000, 0.0011506700000000 ] - [ 0.0029664600000000, 0.0000402000000000, 0.0001126700000000 ] - [ 0.0029664600000000, -0.0000402000000000, 0.0001126700000000 ] - [ 0.0179224700000000, 0.0000000000000000, -0.0302507700000000 ] - [ 0.0005509800000000, -0.0011241900000000, -0.0035025200000000 ] - [ 0.0005509800000000, 0.0011241900000000, -0.0035025200000000 ] - [ 0.0019337100000000, 0.0000000000000000, -0.0000228600000000 ] - [ 0.0020623400000000, 0.0000000100000000, -0.0000446500000000 ] - [ 0.0020623400000000, -0.0000000100000000, -0.0000446500000000 ] - [ 0.0002099000000000, 0.0000000000000000, 0.0009298700000000 ] - [ 0.0002592900000000, 0.0001865400000000, -0.0004790300000000 ] - [ 0.0002592900000000, -0.0001865400000000, -0.0004790300000000 ] - [ -0.0000458800000000, 0.0000000000000000, 0.0005112300000000 ] - [ -0.0004122900000000, -0.0002239600000000, -0.0011398200000000 ] - [ -0.0004122900000000, 0.0002239600000000, -0.0011398200000000 ] - [ 0.0021141700000000, 0.0000000000000000, 0.0006613800000000 ] - [ 0.0022688500000000, -0.0000158700000000, 0.0006023800000000 ] - [ 0.0022688500000000, 0.0000158700000000, 0.0006023800000000 ] - [ -0.0005562100000000, 0.0000000000000000, -0.0010461600000000 ] - [ -0.0005069000000000, 0.0000219000000000, -0.0010104500000000 ] - [ -0.0005069000000000, -0.0000219000000000, -0.0010104500000000 ] - [ 0.0029644200000000, 0.0000000000000000, 0.0005523500000000 ] - [ 0.0028122600000000, 0.0000157300000000, 0.0005148900000000 ] - [ 0.0028122600000000, -0.0000157300000000, 0.0005148900000000 ] - [ 0.0002294800000000, 0.0000000000000000, -0.0012756600000000 ] - [ 0.0001594500000000, -0.0000218900000000, -0.0013251900000000 ] - [ 0.0001594500000000, 0.0000218900000000, -0.0013251900000000 ] - [ -0.0026516100000000, 0.0000000000000000, 0.0002388600000000 ] - [ 0.0017153000000000, -0.0000371200000000, -0.0003564200000000 ] - [ 0.0017153000000000, 0.0000371200000000, -0.0003564200000000 ] - [ -0.0002772400000000, 0.0000000000000000, -0.0041936500000000 ] - [ -0.0002956600000000, 0.0001817600000000, -0.0020562900000000 ] - [ -0.0002956600000000, -0.0001817600000000, -0.0020562900000000 ] - [ -0.3019546900000000, 0.0000000000000000, -0.0103727000000000 ] - [ -0.0053960700000000, 0.0000420800000000, -0.0003979800000000 ] - [ -0.0053960700000000, -0.0000420800000000, -0.0003979800000000 ] - [ 0.0097166800000000, 0.0000000000000000, -0.0307593400000000 ] - [ 0.0001127600000000, 0.0011697200000000, -0.0028367900000000 ] - [ 0.0001127600000000, -0.0011697200000000, -0.0028367900000000 ] - [ 0.0089414200000000, 0.0000000000000000, 0.0000229300000000 ] - [ 0.0034871700000000, -0.0000265800000000, -0.0001975200000000 ] - [ 0.0034871700000000, 0.0000265800000000, -0.0001975200000000 ] - [ 0.0071656400000000, 0.0000000000000000, 0.0299007300000000 ] - [ -0.0002789700000000, -0.0013610400000000, -0.0002609500000000 ] - [ -0.0002789700000000, 0.0013610400000000, -0.0002609500000000 ] - [ 0.0028575300000000, 0.0000000000000000, 0.0002832600000000 ] - [ 0.0026594600000000, -0.0000041700000000, 0.0002360400000000 ] - [ 0.0026594600000000, 0.0000041700000000, 0.0002360400000000 ] - [ 0.1060296100000000, 0.0000000000000000, -0.0013471800000000 ] - [ 0.0109145500000000, 0.0002146400000000, 0.0000546400000000 ] - [ 0.0109145500000000, -0.0002146400000000, 0.0000546400000000 ] - [ 0.0055615200000000, 0.0000850000000000, -0.0034927500000000 ] - [ 0.0055615200000000, -0.0000850000000000, -0.0034927500000000 ] - [ 0.0055504800000000, 0.0000000000000000, -0.0034896100000000 ] - [ 0.0046573100000000, 0.0001210300000000, -0.0032119700000000 ] - [ 0.0046573100000000, -0.0001210300000000, -0.0032119700000000 ] - [ 0.0046566400000000, 0.0000000000000000, -0.0032414400000000 ] - [ 0.0048647400000000, -0.0019287200000000, -0.0011969900000000 ] - [ 0.0048647400000000, 0.0019287200000000, -0.0011969900000000 ] - [ 0.0048508200000000, 0.0000000000000000, -0.0020959500000000 ] - [ 0.0071333600000000, 0.0020275200000000, 0.0009487500000000 ] - [ 0.0071333600000000, -0.0020275200000000, 0.0009487500000000 ] - [ 0.0070633600000000, 0.0000000000000000, -0.0001563100000000 ] - [ 0.0047006800000000, -0.0001103800000000, -0.0041687500000000 ] - [ 0.0047006800000000, 0.0001103800000000, -0.0041687500000000 ] - [ 0.0047064800000000, 0.0000000000000000, -0.0041942600000000 ] - [ 0.0051643400000000, -0.0001018900000000, -0.0040789100000000 ] - [ 0.0051643400000000, 0.0001018900000000, -0.0040789100000000 ] - [ 0.0051759500000000, 0.0000000000000000, -0.0040614800000000 ] - [ 0.0068422000000000, -0.0016796400000000, 0.0029544300000000 ] - [ 0.0068422000000000, 0.0016796400000000, 0.0029544300000000 ] - [ 0.0068414500000000, 0.0000000000000000, 0.0038560000000000 ] - [ -0.0064231200000000, 0.0001828800000000, 0.0003378900000000 ] - [ -0.0064231200000000, -0.0001828800000000, 0.0003378900000000 ] - [ -0.0008751800000000, 0.0000000000000000, 0.0000916900000000 ] - [ 0.0003356200000000, -0.0000441900000000, 0.0000783200000000 ] - [ 0.0003356200000000, 0.0000441900000000, 0.0000783200000000 ] - [ 0.0000306500000000, 0.0000000000000000, 0.0000664500000000 ] - [ -0.0002438100000000, -0.0000068100000000, -0.0002546500000000 ] - [ -0.0002438100000000, 0.0000068100000000, -0.0002546500000000 ] - [ -0.0002729700000000, 0.0000000000000000, -0.0002430300000000 ] - [ -0.0006391900000000, 0.0001835000000000, -0.0001561500000000 ] - [ -0.0006391900000000, -0.0001835000000000, -0.0001561500000000 ] - [ -0.0003517200000000, 0.0000000000000000, -0.0000362600000000 ] - [ -0.0007294400000000, 0.0000001400000000, -0.0000529400000000 ] - [ -0.0007294400000000, -0.0000001400000000, -0.0000529400000000 ] - [ -0.0007027300000000, 0.0000000000000000, -0.0000404200000000 ] - [ 0.0007311400000000, -0.0001157700000000, -0.0001437600000000 ] - [ 0.0007311400000000, 0.0001157700000000, -0.0001437600000000 ] - [ 0.0004316100000000, 0.0000000000000000, -0.0000409300000000 ] - [ -0.0013232400000000, 0.0000138400000000, -0.0002131000000000 ] - [ -0.0013232400000000, -0.0000138400000000, -0.0002131000000000 ] - [ -0.0010041900000000, 0.0000000000000000, -0.0001949800000000 ] - [ -0.0115190300000000, 0.0000000000000000, 0.0131131800000000 ] - [ -0.0096418100000000, -0.0012513900000000, -0.0011603200000000 ] - [ -0.0096418100000000, 0.0012513900000000, -0.0011603200000000 ] - [ 0.0639313900000000, 0.0000000000000000, 0.0225706600000000 ] - [ -0.0109231500000000, 0.0173994700000000, 0.0056742000000000 ] - [ -0.0109231500000000, -0.0173994700000000, 0.0056742000000000 ] - [ 0.0084560500000000, 0.0000000000000000, 0.0024765300000000 ] - [ -0.0036992100000000, -0.0176692900000000, 0.0087354300000000 ] - [ -0.0036992100000000, 0.0176692900000000, 0.0087354300000000 ] - [ -0.0032501000000000, 0.0000000000000000, 0.0196777400000000 ] - [ -0.0055886300000000, 0.0010535400000000, 0.0063928200000000 ] - [ -0.0055886300000000, -0.0010535400000000, 0.0063928200000000 ] - [ -0.0063619500000000, 0.0000000000000000, 0.0048229200000000 ] - [ -0.0063968300000000, -0.0000652400000000, 0.0052423300000000 ] - [ -0.0063968300000000, 0.0000652400000000, 0.0052423300000000 ] - [ -0.0075745000000000, 0.0000000000000000, 0.0051966400000000 ] - [ -0.0075248500000000, 0.0000381200000000, 0.0048977100000000 ] - [ -0.0075248500000000, -0.0000381200000000, 0.0048977100000000 ] - [ -0.0058729600000000, 0.0000000000000000, -0.0125471200000000 ] - [ -0.0066232400000000, -0.0012675200000000, 0.0019519300000000 ] - [ -0.0066232400000000, 0.0012675200000000, 0.0019519300000000 ] - [ -0.0069726100000000, 0.0000000000000000, 0.0033970200000000 ] - [ -0.0069462200000000, 0.0000712200000000, 0.0039220300000000 ] - [ -0.0069462200000000, -0.0000712200000000, 0.0039220300000000 ] - [ -0.0101098600000000, 0.0000000000000000, -0.0137686900000000 ] - [ -0.0088069400000000, 0.0014313400000000, 0.0008051800000000 ] - [ -0.0088069400000000, -0.0014313400000000, 0.0008051800000000 ] - [ -0.0069522900000000, 0.0000000000000000, 0.0057248200000000 ] - [ -0.0069991600000000, -0.0000444000000000, 0.0053283300000000 ] - [ -0.0069991600000000, 0.0000444000000000, 0.0053283300000000 ]- atom: 61 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0044957900000000, -0.0009242900000000, 0.0007649600000000 ] - [ -0.0044957900000000, 0.0009242900000000, 0.0007649600000000 ] - [ -0.0009971200000000, 0.0000000000000000, -0.0001006800000000 ] - [ -0.0036184700000000, 0.0000931300000000, -0.0002464300000000 ] - [ -0.0036184700000000, -0.0000931300000000, -0.0002464300000000 ] - [ -0.0007761700000000, 0.0000000000000000, 0.0000255200000000 ] - [ 0.0025285200000000, 0.0003644700000000, 0.0005105200000000 ] - [ 0.0025285200000000, -0.0003644700000000, 0.0005105200000000 ] - [ 0.0003715300000000, 0.0000000000000000, 0.0002096400000000 ] - [ 0.0042237500000000, -0.0017353900000000, -0.0024854300000000 ] - [ 0.0042237500000000, 0.0017353900000000, -0.0024854300000000 ] - [ 0.0043804200000000, 0.0000000000000000, -0.0032813200000000 ] - [ -0.0021503700000000, -0.0314699100000000, -0.0043296900000000 ] - [ -0.0021503700000000, 0.0314699100000000, -0.0043296900000000 ] - [ 0.0083420700000000, 0.0000000000000000, -0.0030116400000000 ] - [ -0.0127281900000000, 0.0303012500000000, -0.0057028600000000 ] - [ -0.0127281900000000, -0.0303012500000000, -0.0057028600000000 ] - [ 0.0008800400000000, 0.0000000000000000, -0.0074750100000000 ] - [ -0.0010500700000000, 0.0000000000000000, 0.0004832500000000 ] - [ -0.0007056100000000, 0.0001527200000000, -0.0008355200000000 ] - [ -0.0007056100000000, -0.0001527200000000, -0.0008355200000000 ] - [ 0.0072333900000000, 0.0000000000000000, -0.0001308000000000 ] - [ 0.0031157900000000, -0.0000412100000000, 0.0002348500000000 ] - [ 0.0031157900000000, 0.0000412100000000, 0.0002348500000000 ] - [ -0.0205359000000000, 0.0000000000000000, -0.0303327900000000 ] - [ -0.0007062900000000, -0.0012417800000000, -0.0040761700000000 ] - [ -0.0007062900000000, 0.0012417800000000, -0.0040761700000000 ] - [ -0.0045903400000000, 0.0000000000000000, -0.0010159400000000 ] - [ 0.0009323000000000, -0.0000404700000000, -0.0000020000000000 ] - [ 0.0009323000000000, 0.0000404700000000, -0.0000020000000000 ] - [ -0.0179793200000000, 0.0000000000000000, 0.0278864700000000 ] - [ -0.0006428400000000, 0.0011178800000000, 0.0008526400000000 ] - [ -0.0006428400000000, -0.0011178800000000, 0.0008526400000000 ] - [ 0.0026229800000000, 0.0000000000000000, -0.0001632900000000 ] - [ 0.0024953300000000, -0.0000000100000000, -0.0001419000000000 ] - [ 0.0024953300000000, 0.0000000100000000, -0.0001419000000000 ] - [ 0.0004730100000000, 0.0000000000000000, -0.0033827100000000 ] - [ 0.0004265700000000, -0.0001861400000000, -0.0019898100000000 ] - [ 0.0004265700000000, 0.0001861400000000, -0.0019898100000000 ] - [ -0.0009622300000000, 0.0000000000000000, -0.0044147800000000 ] - [ -0.0005976100000000, 0.0002247200000000, -0.0027502700000000 ] - [ -0.0005976100000000, -0.0002247200000000, -0.0027502700000000 ] - [ 0.0028492900000000, 0.0000000000000000, 0.0004145100000000 ] - [ 0.0026951400000000, 0.0000163700000000, 0.0004755300000000 ] - [ 0.0026951400000000, -0.0000163700000000, 0.0004755300000000 ] - [ -0.0003989600000000, 0.0000000000000000, -0.0012719500000000 ] - [ -0.0004489300000000, -0.0000215700000000, -0.0013069700000000 ] - [ -0.0004489300000000, 0.0000215700000000, -0.0013069700000000 ] - [ 0.0022510600000000, 0.0000000000000000, 0.0003297600000000 ] - [ 0.0023990600000000, -0.0000152200000000, 0.0003669700000000 ] - [ 0.0023990600000000, 0.0000152200000000, 0.0003669700000000 ] - [ 0.0000354000000000, 0.0000000000000000, -0.0017501500000000 ] - [ 0.0001040500000000, 0.0000225600000000, -0.0016991200000000 ] - [ 0.0001040500000000, -0.0000225600000000, -0.0016991200000000 ] - [ 0.0085220300000000, 0.0000000000000000, -0.0009480000000000 ] - [ 0.0041535800000000, 0.0000365900000000, -0.0003428700000000 ] - [ 0.0041535800000000, -0.0000365900000000, -0.0003428700000000 ] - [ -0.0002817000000000, 0.0000000000000000, 0.0013392400000000 ] - [ -0.0002681300000000, -0.0001804200000000, -0.0007762900000000 ] - [ -0.0002681300000000, 0.0001804200000000, -0.0007762900000000 ] - [ 0.3082020700000000, 0.0000000000000000, 0.0132283600000000 ] - [ 0.0082110200000000, -0.0000506100000000, 0.0000426800000000 ] - [ 0.0082110200000000, 0.0000506100000000, 0.0000426800000000 ] - [ -0.0090170100000000, 0.0000000000000000, 0.0295532400000000 ] - [ 0.0007166100000000, -0.0011693100000000, 0.0019186000000000 ] - [ 0.0007166100000000, 0.0011693100000000, 0.0019186000000000 ] - [ -0.0042266700000000, 0.0000000000000000, -0.0003662100000000 ] - [ 0.0012128900000000, 0.0000279400000000, -0.0001343200000000 ] - [ 0.0012128900000000, -0.0000279400000000, -0.0001343200000000 ] - [ -0.0071593900000000, 0.0000000000000000, -0.0342746500000000 ] - [ 0.0000350300000000, 0.0013539800000000, -0.0038566700000000 ] - [ 0.0000350300000000, -0.0013539800000000, -0.0038566700000000 ] - [ 0.0020060500000000, 0.0000000000000000, 0.0000845200000000 ] - [ 0.0022015000000000, 0.0000049000000000, 0.0001345200000000 ] - [ 0.0022015000000000, -0.0000049000000000, 0.0001345200000000 ] - [ -0.1009423300000000, 0.0000000000000000, 0.0018686000000000 ] - [ -0.0060402100000000, -0.0002041800000000, 0.0004708300000000 ] - [ -0.0060402100000000, 0.0002041800000000, 0.0004708300000000 ] - [ 0.0054930700000000, -0.0000863000000000, -0.0034451800000000 ] - [ 0.0054930700000000, 0.0000863000000000, -0.0034451800000000 ] - [ 0.0055037600000000, 0.0000000000000000, -0.0034479000000000 ] - [ 0.0046427300000000, -0.0001228100000000, -0.0036031100000000 ] - [ 0.0046427300000000, 0.0001228100000000, -0.0036031100000000 ] - [ 0.0046432800000000, 0.0000000000000000, -0.0035732500000000 ] - [ 0.0050163700000000, 0.0019153900000000, -0.0039633900000000 ] - [ 0.0050163700000000, -0.0019153900000000, -0.0039633900000000 ] - [ 0.0050408800000000, 0.0000000000000000, -0.0030618100000000 ] - [ 0.0067158700000000, -0.0020346500000000, -0.0022890000000000 ] - [ 0.0067158700000000, 0.0020346500000000, -0.0022890000000000 ] - [ 0.0067827800000000, 0.0000000000000000, -0.0011868300000000 ] - [ 0.0047381400000000, 0.0001084500000000, -0.0045010900000000 ] - [ 0.0047381400000000, -0.0001084500000000, -0.0045010900000000 ] - [ 0.0047326900000000, 0.0000000000000000, -0.0044756900000000 ] - [ 0.0052397200000000, 0.0000990800000000, -0.0039219700000000 ] - [ 0.0052397200000000, -0.0000990800000000, -0.0039219700000000 ] - [ 0.0052282800000000, 0.0000000000000000, -0.0039386400000000 ] - [ 0.0069090300000000, 0.0016689400000000, 0.0057778600000000 ] - [ 0.0069090300000000, -0.0016689400000000, 0.0057778600000000 ] - [ 0.0069124200000000, 0.0000000000000000, 0.0048758400000000 ] - [ 0.0072561900000000, -0.0001583500000000, -0.0001401900000000 ] - [ 0.0072561900000000, 0.0001583500000000, -0.0001401900000000 ] - [ 0.0017330000000000, 0.0000000000000000, 0.0001182100000000 ] - [ -0.0009381100000000, 0.0000404100000000, 0.0001095600000000 ] - [ -0.0009381100000000, -0.0000404100000000, 0.0001095600000000 ] - [ -0.0006344000000000, 0.0000000000000000, 0.0001156200000000 ] - [ -0.0005473800000000, 0.0000075800000000, -0.0000814100000000 ] - [ -0.0005473800000000, -0.0000075800000000, -0.0000814100000000 ] - [ -0.0005189400000000, 0.0000000000000000, -0.0000936300000000 ] - [ 0.0005645600000000, -0.0001793300000000, 0.0002544800000000 ] - [ 0.0005645600000000, 0.0001793300000000, 0.0002544800000000 ] - [ 0.0002788900000000, 0.0000000000000000, 0.0001352900000000 ] - [ -0.0004338300000000, 0.0000011700000000, 0.0001346200000000 ] - [ -0.0004338300000000, -0.0000011700000000, 0.0001346200000000 ] - [ -0.0004607200000000, 0.0000000000000000, 0.0001202800000000 ] - [ -0.0005494300000000, 0.0001182800000000, 0.0002015000000000 ] - [ -0.0005494300000000, -0.0001182800000000, 0.0002015000000000 ] - [ -0.0002502100000000, 0.0000000000000000, 0.0000990500000000 ] - [ 0.0001069500000000, -0.0000098200000000, -0.0001102700000000 ] - [ 0.0001069500000000, 0.0000098200000000, -0.0001102700000000 ] - [ -0.0002112100000000, 0.0000000000000000, -0.0001283100000000 ] - [ -0.0073701300000000, 0.0000000000000000, -0.0196658400000000 ] - [ -0.0092282000000000, 0.0012465300000000, -0.0054537700000000 ] - [ -0.0092282000000000, -0.0012465300000000, -0.0054537700000000 ] - [ -0.0971996500000000, 0.0000000000000000, -0.0143970200000000 ] - [ -0.0114884600000000, -0.0173636700000000, 0.0046809200000000 ] - [ -0.0114884600000000, 0.0173636700000000, 0.0046809200000000 ] - [ -0.0087942200000000, 0.0000000000000000, 0.0132514700000000 ] - [ -0.0032102500000000, 0.0175639400000000, 0.0082409800000000 ] - [ -0.0032102500000000, -0.0175639400000000, 0.0082409800000000 ] - [ -0.0087820700000000, 0.0000000000000000, -0.0098204400000000 ] - [ -0.0063572800000000, -0.0010426500000000, 0.0034466800000000 ] - [ -0.0063572800000000, 0.0010426500000000, 0.0034466800000000 ] - [ -0.0064300900000000, 0.0000000000000000, 0.0067089900000000 ] - [ -0.0063921500000000, 0.0000626700000000, 0.0062892100000000 ] - [ -0.0063921500000000, -0.0000626700000000, 0.0062892100000000 ] - [ -0.0074702300000000, 0.0000000000000000, 0.0043562800000000 ] - [ -0.0075201900000000, -0.0000367300000000, 0.0046597900000000 ] - [ -0.0075201900000000, 0.0000367300000000, 0.0046597900000000 ] - [ -0.0075806000000000, 0.0000000000000000, 0.0197033100000000 ] - [ -0.0068804300000000, 0.0012705200000000, 0.0053205800000000 ] - [ -0.0068804300000000, -0.0012705200000000, 0.0053205800000000 ] - [ -0.0069409600000000, 0.0000000000000000, 0.0055763400000000 ] - [ -0.0069641900000000, -0.0000735900000000, 0.0050412100000000 ] - [ -0.0069641900000000, 0.0000735900000000, 0.0050412100000000 ] - [ -0.0074200000000000, 0.0000000000000000, 0.0188005500000000 ] - [ -0.0087197100000000, -0.0014331800000000, 0.0041929900000000 ] - [ -0.0087197100000000, 0.0014331800000000, 0.0041929900000000 ] - [ -0.0070475100000000, 0.0000000000000000, 0.0045906300000000 ] - [ -0.0070003200000000, 0.0000433700000000, 0.0049803500000000 ] - [ -0.0070003200000000, -0.0000433700000000, 0.0049803500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003559600000000, -0.0004565000000000, 0.0025775300000000 ] - [ -0.0007107500000000, -0.0003857100000000, -0.0026596000000000 ] - [ -0.0005350600000000, -0.0006683200000000, -0.0000684700000000 ] - [ -0.0001295600000000, -0.0009533700000000, -0.0029114800000000 ] - [ -0.0001339100000000, -0.0009440400000000, 0.0030433700000000 ] - [ -0.0001328000000000, -0.0006092700000000, 0.0000597800000000 ] - [ -0.0001851800000000, 0.0003771700000000, -0.0006153800000000 ] - [ -0.0001240600000000, 0.0003969700000000, 0.0012326400000000 ] - [ -0.0001551000000000, -0.0006342100000000, 0.0003129900000000 ] - [ 0.0045513600000000, -0.0005355400000000, -0.0041052600000000 ] - [ 0.0044201600000000, -0.0005497700000000, -0.0032932200000000 ] - [ 0.0044875200000000, 0.0010887400000000, -0.0036976700000000 ] - [ 0.0211307400000000, 0.0089369000000000, -0.0018493400000000 ] - [ -0.0020324600000000, 0.0090029600000000, -0.0050608600000000 ] - [ 0.0096395200000000, 0.0055457800000000, -0.0034435700000000 ] - [ -0.0113545900000000, 0.0098111000000000, -0.0056432900000000 ] - [ 0.0143422500000000, 0.0099170300000000, -0.0088146300000000 ] - [ 0.0013839000000000, 0.0058918700000000, -0.0072145900000000 ] - [ -0.0006476300000000, -0.0001662200000000, -0.0013067000000000 ] - [ -0.0006665100000000, 0.0000938500000000, -0.0008785400000000 ] - [ -0.0006275300000000, 0.0000956700000000, -0.0017180700000000 ] - [ 0.0019698400000000, -0.0007697700000000, 0.0002566800000000 ] - [ 0.0019233300000000, 0.0002958800000000, 0.0007245800000000 ] - [ 0.0020146700000000, 0.0002960500000000, -0.0002055400000000 ] - [ -0.0003467300000000, -0.0048818100000000, -0.0020312300000000 ] - [ -0.0000953500000000, 0.0009087700000000, -0.0002289900000000 ] - [ -0.0005405700000000, 0.0009107400000000, -0.0037059100000000 ] - [ 0.0019448200000000, -0.0002657100000000, 0.0000457600000000 ] - [ 0.0019803500000000, 0.0001956000000000, 0.0004108300000000 ] - [ 0.0019147500000000, 0.0001990800000000, -0.0002969900000000 ] - [ -0.0000275100000000, -0.0046943500000000, -0.0013818300000000 ] - [ -0.0002266300000000, 0.0008528600000000, 0.0003071000000000 ] - [ 0.0001249700000000, 0.0008561900000000, -0.0029438900000000 ] - [ 0.0022787400000000, -0.0000539400000000, -0.0000923500000000 ] - [ 0.0022891900000000, 0.0000259200000000, -0.0000410100000000 ] - [ 0.0022689400000000, 0.0000267400000000, -0.0001419400000000 ] - [ 0.0003443700000000, -0.0002006900000000, -0.0012377300000000 ] - [ 0.0003429500000000, 0.0000958000000000, -0.0008159000000000 ] - [ 0.0003446100000000, 0.0000977200000000, -0.0016446400000000 ] - [ -0.0005049900000000, -0.0001670200000000, -0.0019394200000000 ] - [ -0.0005277000000000, 0.0000674000000000, -0.0023014300000000 ] - [ -0.0004830500000000, 0.0000697700000000, -0.0015931800000000 ] - [ 0.0024813500000000, -0.0000501800000000, 0.0005403000000000 ] - [ 0.0024827800000000, 0.0000233500000000, 0.0004964800000000 ] - [ 0.0024814800000000, 0.0000245500000000, 0.0005820800000000 ] - [ -0.0004777900000000, -0.0000482600000000, -0.0011558500000000 ] - [ -0.0004839700000000, 0.0000197400000000, -0.0011508700000000 ] - [ -0.0004715400000000, 0.0000208200000000, -0.0011618600000000 ] - [ 0.0026058400000000, -0.0000577400000000, 0.0004416200000000 ] - [ 0.0026091900000000, 0.0000288900000000, 0.0004911300000000 ] - [ 0.0026014900000000, 0.0000296500000000, 0.0003937100000000 ] - [ 0.0001319400000000, -0.0000421500000000, -0.0015092800000000 ] - [ 0.0001276200000000, 0.0000209100000000, -0.0014978400000000 ] - [ 0.0001359900000000, 0.0000215000000000, -0.0015210200000000 ] - [ 0.0029340600000000, -0.0003682500000000, -0.0003420300000000 ] - [ 0.0029052600000000, 0.0001162700000000, -0.0007240700000000 ] - [ 0.0029642200000000, 0.0001189700000000, 0.0000190800000000 ] - [ -0.0002817000000000, -0.0002205500000000, -0.0014078300000000 ] - [ -0.0002769800000000, 0.0000709600000000, -0.0018472300000000 ] - [ -0.0002864000000000, 0.0000728900000000, -0.0009878500000000 ] - [ 0.0012589700000000, -0.0390837600000000, -0.0003573400000000 ] - [ 0.0013696600000000, 0.0018922800000000, -0.0001811800000000 ] - [ 0.0014625200000000, 0.0018920600000000, -0.0001866500000000 ] - [ 0.0004131800000000, -0.0042699400000000, -0.0004108200000000 ] - [ 0.0005250200000000, 0.0007457200000000, -0.0022833000000000 ] - [ 0.0003132200000000, 0.0007468800000000, 0.0013512600000000 ] - [ 0.0023515500000000, -0.0001103600000000, -0.0001576900000000 ] - [ 0.0023561100000000, 0.0001165500000000, -0.0005199100000000 ] - [ 0.0023436100000000, 0.0001196600000000, 0.0001842100000000 ] - [ -0.0001207600000000, -0.0045173400000000, -0.0020093400000000 ] - [ -0.0001462000000000, 0.0008087000000000, -0.0038458400000000 ] - [ -0.0001046800000000, 0.0008105800000000, -0.0003007800000000 ] - [ 0.0024311500000000, -0.0000437400000000, 0.0001869700000000 ] - [ 0.0024310000000000, 0.0000215400000000, 0.0001343900000000 ] - [ 0.0024295600000000, 0.0000223200000000, 0.0002373500000000 ] - [ 0.0024192600000000, 0.0036666700000000, 0.0002665700000000 ] - [ 0.0025238000000000, 0.0029305500000000, 0.0002415600000000 ] - [ 0.0023128400000000, 0.0029108900000000, 0.0002807700000000 ] - [ 0.0055229000000000, -0.0000910100000000, -0.0034990300000000 ] - [ 0.0055313700000000, -0.0000939200000000, -0.0034357700000000 ] - [ 0.0055270800000000, 0.0001866600000000, -0.0034669700000000 ] - [ 0.0046473400000000, -0.0000734400000000, -0.0033842700000000 ] - [ 0.0046525900000000, -0.0000773300000000, -0.0034286300000000 ] - [ 0.0046499400000000, 0.0001470700000000, -0.0034070100000000 ] - [ 0.0048148000000000, -0.0005250600000000, -0.0030056300000000 ] - [ 0.0050818700000000, -0.0005416600000000, -0.0021525200000000 ] - [ 0.0049468300000000, 0.0010880000000000, -0.0025776200000000 ] - [ 0.0070085200000000, -0.0005338400000000, -0.0004811000000000 ] - [ 0.0068363800000000, -0.0005510400000000, -0.0008619200000000 ] - [ 0.0069227300000000, 0.0009541400000000, -0.0006740500000000 ] - [ 0.0047178000000000, -0.0000917000000000, -0.0043636400000000 ] - [ 0.0047211900000000, -0.0000951000000000, -0.0043039400000000 ] - [ 0.0047196400000000, 0.0001828300000000, -0.0043336500000000 ] - [ 0.0052012100000000, -0.0000826400000000, -0.0039782300000000 ] - [ 0.0052029800000000, -0.0000857500000000, -0.0040202800000000 ] - [ 0.0052021600000000, 0.0001540500000000, -0.0039997500000000 ] - [ 0.0067964100000000, -0.0005482200000000, 0.0045272900000000 ] - [ 0.0069585400000000, -0.0005652000000000, 0.0042061300000000 ] - [ 0.0068774200000000, 0.0010083100000000, 0.0043648600000000 ] - [ 0.0003666200000000, 0.0007405700000000, 0.0019100900000000 ] - [ 0.0004950300000000, 0.0007799800000000, -0.0016918300000000 ] - [ 0.0004307900000000, -0.0013195400000000, 0.0001028800000000 ] - [ -0.0003028000000000, 0.0001371500000000, 0.0003115500000000 ] - [ -0.0003027000000000, 0.0001426700000000, -0.0001348300000000 ] - [ -0.0003024100000000, -0.0002785800000000, 0.0000875900000000 ] - [ -0.0003944300000000, 0.0000369100000000, -0.0001632100000000 ] - [ -0.0003968300000000, 0.0000388400000000, -0.0001750000000000 ] - [ -0.0003959400000000, -0.0000765500000000, -0.0001693200000000 ] - [ -0.0000358300000000, 0.0001249000000000, 0.0002158500000000 ] - [ -0.0000357500000000, 0.0001295300000000, -0.0001176800000000 ] - [ -0.0000357400000000, -0.0002545100000000, 0.0000473300000000 ] - [ -0.0005821800000000, 0.0000388000000000, 0.0000446800000000 ] - [ -0.0005803800000000, 0.0000396000000000, 0.0000345900000000 ] - [ -0.0005814500000000, -0.0000773600000000, 0.0000388800000000 ] - [ 0.0000854700000000, 0.0001208400000000, -0.0000951400000000 ] - [ 0.0000948000000000, 0.0001267000000000, 0.0001511000000000 ] - [ 0.0000901700000000, -0.0002314500000000, 0.0000301100000000 ] - [ -0.0006015300000000, 0.0001038300000000, -0.0002782900000000 ] - [ -0.0006130600000000, 0.0001088400000000, -0.0000485700000000 ] - [ -0.0006072200000000, -0.0002240200000000, -0.0001611300000000 ] - [ -0.0094378400000000, 0.0011544500000000, -0.0033310400000000 ] - [ -0.0096337700000000, -0.0005048600000000, -0.0014908000000000 ] - [ -0.0092424800000000, -0.0005186100000000, -0.0051031100000000 ] - [ -0.0106802200000000, 0.0198809400000000, 0.0052759200000000 ] - [ -0.0116418100000000, -0.0109227400000000, 0.0053243500000000 ] - [ -0.0107352600000000, -0.0108893700000000, 0.0050492600000000 ] - [ -0.0038576600000000, 0.0168833200000000, 0.0085550400000000 ] - [ -0.0036931600000000, -0.0113443900000000, 0.0086002100000000 ] - [ -0.0032463200000000, -0.0112944300000000, 0.0083891400000000 ] - [ -0.0059593800000000, 0.0013486200000000, 0.0049393300000000 ] - [ -0.0058781300000000, -0.0006804200000000, 0.0034628900000000 ] - [ -0.0060568500000000, -0.0006875300000000, 0.0063531100000000 ] - [ -0.0063952200000000, 0.0001618100000000, 0.0057678800000000 ] - [ -0.0064042700000000, -0.0000767900000000, 0.0055384800000000 ] - [ -0.0063859700000000, -0.0000783400000000, 0.0059855100000000 ] - [ -0.0075215200000000, 0.0001604700000000, 0.0047747600000000 ] - [ -0.0075261900000000, -0.0000784400000000, 0.0045416200000000 ] - [ -0.0075185000000000, -0.0000831200000000, 0.0050047300000000 ] - [ -0.0067620500000000, 0.0013644600000000, 0.0036656300000000 ] - [ -0.0068405500000000, -0.0006824600000000, 0.0020840300000000 ] - [ -0.0066741600000000, -0.0006949100000000, 0.0051737200000000 ] - [ -0.0069558900000000, 0.0001239500000000, 0.0044787100000000 ] - [ -0.0069613200000000, -0.0000600400000000, 0.0046404100000000 ] - [ -0.0069495400000000, -0.0000624800000000, 0.0043214000000000 ] - [ -0.0087619400000000, 0.0008944100000000, 0.0024763100000000 ] - [ -0.0086099600000000, -0.0004214900000000, 0.0040692100000000 ] - [ -0.0089113300000000, -0.0004347500000000, 0.0009569300000000 ] - [ -0.0069997500000000, 0.0001284300000000, 0.0051483000000000 ] - [ -0.0069852600000000, -0.0000578100000000, 0.0053320400000000 ] - [ -0.0070139900000000, -0.0000612200000000, 0.0049746300000000 ]- atom: 61 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0007363100000000, 0.0031664400000000, -0.0004497700000000 ] - [ -0.0007363100000000, -0.0031664400000000, -0.0004497700000000 ] - [ -0.0005368600000000, 0.0000000000000000, 0.0002883000000000 ] - [ -0.0000714400000000, -0.0025303000000000, -0.0011598300000000 ] - [ -0.0000714400000000, 0.0025303000000000, -0.0011598300000000 ] - [ -0.0001267600000000, 0.0000000000000000, 0.0002884200000000 ] - [ -0.0002899000000000, -0.0010984400000000, 0.0005171400000000 ] - [ -0.0002899000000000, 0.0010984400000000, 0.0005171400000000 ] - [ -0.0001630900000000, 0.0000000000000000, 0.0005610700000000 ] - [ 0.0042141000000000, -0.0019638600000000, -0.0031709900000000 ] - [ 0.0042141000000000, 0.0019638600000000, -0.0031709900000000 ] - [ 0.0043833400000000, 0.0000000000000000, -0.0037646400000000 ] - [ 0.0100469700000000, 0.0030601600000000, -0.0078230800000000 ] - [ 0.0100469700000000, -0.0030601600000000, -0.0078230800000000 ] - [ 0.0096864900000000, 0.0000000000000000, -0.0040547000000000 ] - [ 0.0012994200000000, 0.0018118000000000, -0.0116419400000000 ] - [ 0.0012994200000000, -0.0018118000000000, -0.0116419400000000 ] - [ 0.0013854600000000, 0.0000000000000000, -0.0078614900000000 ] - [ -0.0005698300000000, 0.0000000000000000, 0.0014824300000000 ] - [ -0.0006404600000000, 0.0002472100000000, -0.0004460900000000 ] - [ -0.0006404600000000, -0.0002472100000000, -0.0004460900000000 ] - [ 0.0016859500000000, 0.0000000000000000, 0.0028349400000000 ] - [ 0.0019220400000000, 0.0005000800000000, 0.0003896300000000 ] - [ 0.0019220400000000, -0.0005000800000000, 0.0003896300000000 ] - [ 0.0143365200000000, 0.0000000000000000, 0.0023399500000000 ] - [ -0.0003568000000000, 0.0003010400000000, -0.0038313100000000 ] - [ -0.0003568000000000, -0.0003010400000000, -0.0038313100000000 ] - [ 0.0022771400000000, 0.0000000000000000, 0.0023926000000000 ] - [ 0.0019474000000000, 0.0003961000000000, 0.0000028500000000 ] - [ 0.0019474000000000, -0.0003961000000000, 0.0000028500000000 ] - [ -0.0129814400000000, 0.0000000000000000, 0.0027124500000000 ] - [ 0.0000177700000000, 0.0002983500000000, -0.0032244100000000 ] - [ 0.0000177700000000, -0.0002983500000000, -0.0032244100000000 ] - [ 0.0023649900000000, 0.0000000000000000, 0.0006777900000000 ] - [ 0.0022986700000000, 0.0000780200000000, 0.0003455900000000 ] - [ 0.0022986700000000, -0.0000780200000000, 0.0003455900000000 ] - [ 0.0005356700000000, 0.0000000000000000, 0.0014833500000000 ] - [ 0.0004016100000000, 0.0002428600000000, -0.0003766200000000 ] - [ 0.0004016100000000, -0.0002428600000000, -0.0003766200000000 ] - [ -0.0003940700000000, 0.0000000000000000, 0.0007631900000000 ] - [ -0.0005189900000000, -0.0002537300000000, -0.0010287100000000 ] - [ -0.0005189900000000, 0.0002537300000000, -0.0010287100000000 ] - [ 0.0024993200000000, 0.0000000000000000, 0.0012768500000000 ] - [ 0.0024901100000000, -0.0000896200000000, 0.0009773900000000 ] - [ 0.0024901100000000, 0.0000896200000000, 0.0009773900000000 ] - [ -0.0004436300000000, 0.0000000000000000, 0.0008367400000000 ] - [ -0.0004657300000000, 0.0000006700000000, 0.0001346800000000 ] - [ -0.0004657300000000, -0.0000006700000000, 0.0001346800000000 ] - [ 0.0026590300000000, 0.0000000000000000, 0.0011788100000000 ] - [ 0.0026205700000000, 0.0000842800000000, 0.0008724400000000 ] - [ 0.0026205700000000, -0.0000842800000000, 0.0008724400000000 ] - [ 0.0001644900000000, 0.0000000000000000, 0.0004777700000000 ] - [ 0.0001429000000000, 0.0000034400000000, -0.0002016600000000 ] - [ 0.0001429000000000, -0.0000034400000000, -0.0002016600000000 ] - [ 0.0028516800000000, 0.0000000000000000, 0.0016547200000000 ] - [ 0.0029099100000000, -0.0003446700000000, -0.0003053700000000 ] - [ 0.0029099100000000, 0.0003446700000000, -0.0003053700000000 ] - [ -0.0003731700000000, 0.0000000000000000, 0.0017983700000000 ] - [ -0.0002920500000000, -0.0002495700000000, -0.0005883300000000 ] - [ -0.0002920500000000, 0.0002495700000000, -0.0005883300000000 ] - [ -0.0101750900000000, 0.0000000000000000, -0.0566374500000000 ] - [ 0.0012003800000000, -0.0000055800000000, -0.0010188800000000 ] - [ 0.0012003800000000, 0.0000055800000000, -0.0010188800000000 ] - [ -0.0107328400000000, 0.0000000000000000, 0.0114992900000000 ] - [ 0.0002646600000000, -0.0002662700000000, -0.0018932500000000 ] - [ 0.0002646600000000, 0.0002662700000000, -0.0018932500000000 ] - [ 0.0024493700000000, 0.0000000000000000, 0.0017922100000000 ] - [ 0.0023698400000000, -0.0003172600000000, -0.0001856300000000 ] - [ 0.0023698400000000, 0.0003172600000000, -0.0001856300000000 ] - [ 0.0113128800000000, 0.0000000000000000, 0.0094613700000000 ] - [ 0.0000008900000000, -0.0003128700000000, -0.0034656600000000 ] - [ 0.0000008900000000, 0.0003128700000000, -0.0034656600000000 ] - [ 0.0024695600000000, 0.0000000000000000, 0.0009324300000000 ] - [ 0.0024691100000000, -0.0000665500000000, 0.0006083800000000 ] - [ 0.0024691100000000, 0.0000665500000000, 0.0006083800000000 ] - [ 0.0045230100000000, 0.0000000000000000, 0.0027551800000000 ] - [ 0.0026083500000000, -0.0001812800000000, -0.0001925300000000 ] - [ 0.0026083500000000, 0.0001812800000000, -0.0001925300000000 ] - [ 0.0055289400000000, -0.0002930900000000, -0.0028793700000000 ] - [ 0.0055289400000000, 0.0002930900000000, -0.0028793700000000 ] - [ 0.0055199300000000, 0.0000000000000000, -0.0030329700000000 ] - [ 0.0046468500000000, 0.0002336900000000, -0.0028154700000000 ] - [ 0.0046468500000000, -0.0002336900000000, -0.0028154700000000 ] - [ 0.0046541100000000, 0.0000000000000000, -0.0029698900000000 ] - [ 0.0052369400000000, -0.0018882300000000, -0.0020147300000000 ] - [ 0.0052369400000000, 0.0018882300000000, -0.0020147300000000 ] - [ 0.0049846200000000, 0.0000000000000000, -0.0026601600000000 ] - [ 0.0069567800000000, 0.0019409200000000, 0.0000041300000000 ] - [ 0.0069567800000000, -0.0019409200000000, 0.0000041300000000 ] - [ 0.0069377700000000, 0.0000000000000000, -0.0006540700000000 ] - [ 0.0047221400000000, -0.0002849200000000, -0.0037524200000000 ] - [ 0.0047221400000000, 0.0002849200000000, -0.0037524200000000 ] - [ 0.0047152200000000, 0.0000000000000000, -0.0039029000000000 ] - [ 0.0052004700000000, 0.0002576400000000, -0.0034179500000000 ] - [ 0.0052004700000000, -0.0002576400000000, -0.0034179500000000 ] - [ 0.0052090000000000, 0.0000000000000000, -0.0035827700000000 ] - [ 0.0068217700000000, 0.0020150700000000, 0.0049672200000000 ] - [ 0.0068217700000000, -0.0020150700000000, 0.0049672200000000 ] - [ 0.0069091000000000, 0.0000000000000000, 0.0043958900000000 ] - [ 0.0004353100000000, 0.0018958500000000, 0.0018179100000000 ] - [ 0.0004353100000000, -0.0018958500000000, 0.0018179100000000 ] - [ 0.0004298600000000, 0.0000000000000000, 0.0007676600000000 ] - [ -0.0003200200000000, 0.0005926000000000, -0.0008480600000000 ] - [ -0.0003200200000000, -0.0005926000000000, -0.0008480600000000 ] - [ -0.0003054500000000, 0.0000000000000000, -0.0002737000000000 ] - [ -0.0003945300000000, 0.0000106600000000, -0.0009020000000000 ] - [ -0.0003945300000000, -0.0000106600000000, -0.0009020000000000 ] - [ -0.0003911700000000, 0.0000000000000000, -0.0007497700000000 ] - [ -0.0000392400000000, 0.0005566300000000, -0.0007796000000000 ] - [ -0.0000392400000000, -0.0005566300000000, -0.0007796000000000 ] - [ -0.0000396600000000, 0.0000000000000000, -0.0002965000000000 ] - [ -0.0005884300000000, 0.0000032800000000, -0.0007034000000000 ] - [ -0.0005884300000000, -0.0000032800000000, -0.0007034000000000 ] - [ -0.0005905900000000, 0.0000000000000000, -0.0005489500000000 ] - [ 0.0000857200000000, -0.0005506800000000, -0.0008800600000000 ] - [ 0.0000857200000000, 0.0005506800000000, -0.0008800600000000 ] - [ 0.0001050700000000, 0.0000000000000000, -0.0003919400000000 ] - [ -0.0006009500000000, -0.0005040000000000, -0.0009622400000000 ] - [ -0.0006009500000000, 0.0005040000000000, -0.0009622400000000 ] - [ -0.0006239900000000, 0.0000000000000000, -0.0005395600000000 ] - [ -0.0088089900000000, 0.0000000000000000, -0.0114562000000000 ] - [ -0.0094485200000000, 0.0016704300000000, -0.0030770300000000 ] - [ -0.0094485200000000, -0.0016704300000000, -0.0030770300000000 ] - [ 0.0198024100000000, 0.0000000000000000, 0.0336691500000000 ] - [ -0.0111225400000000, 0.0012560500000000, 0.0080817100000000 ] - [ -0.0111225400000000, -0.0012560500000000, 0.0080817100000000 ] - [ -0.0271461700000000, 0.0000000000000000, 0.0315542500000000 ] - [ -0.0034607100000000, 0.0005635700000000, 0.0114103600000000 ] - [ -0.0034607100000000, -0.0005635700000000, 0.0114103600000000 ] - [ -0.0058340500000000, 0.0000000000000000, -0.0015154900000000 ] - [ -0.0056720400000000, -0.0016071000000000, 0.0053300800000000 ] - [ -0.0056720400000000, 0.0016071000000000, 0.0053300800000000 ] - [ -0.0065099700000000, 0.0000000000000000, 0.0029885600000000 ] - [ -0.0064304500000000, -0.0002376700000000, 0.0043046200000000 ] - [ -0.0064304500000000, 0.0002376700000000, 0.0043046200000000 ] - [ -0.0076120000000000, 0.0000000000000000, 0.0019234500000000 ] - [ -0.0075514800000000, -0.0002403100000000, 0.0032978600000000 ] - [ -0.0075514800000000, 0.0002403100000000, 0.0032978600000000 ] - [ -0.0076444300000000, 0.0000000000000000, -0.0033685700000000 ] - [ -0.0069885900000000, -0.0015962700000000, 0.0040216800000000 ] - [ -0.0069885900000000, 0.0015962700000000, 0.0040216800000000 ] - [ -0.0069496100000000, 0.0000000000000000, 0.0017561600000000 ] - [ -0.0069688000000000, 0.0002017600000000, 0.0029495900000000 ] - [ -0.0069688000000000, -0.0002017600000000, 0.0029495900000000 ] - [ -0.0089655100000000, 0.0000000000000000, -0.0053018900000000 ] - [ -0.0087508400000000, 0.0014994100000000, 0.0026237500000000 ] - [ -0.0087508400000000, -0.0014994100000000, 0.0026237500000000 ] - [ -0.0071317000000000, 0.0000000000000000, 0.0024044200000000 ] - [ -0.0070517800000000, 0.0002169600000000, 0.0036873300000000 ] - [ -0.0070517800000000, -0.0002169600000000, 0.0036873300000000 ]- atom: 61 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0003323100000000, -0.0032053600000000, 0.0003756200000000 ] - [ -0.0003323100000000, 0.0032053600000000, 0.0003756200000000 ] - [ -0.0005336400000000, 0.0000000000000000, -0.0004144000000000 ] - [ -0.0001929300000000, 0.0025369700000000, 0.0012707300000000 ] - [ -0.0001929300000000, -0.0025369700000000, 0.0012707300000000 ] - [ -0.0001382600000000, 0.0000000000000000, -0.0001756200000000 ] - [ -0.0000206100000000, 0.0010977400000000, 0.0000895600000000 ] - [ -0.0000206100000000, -0.0010977400000000, 0.0000895600000000 ] - [ -0.0001480900000000, 0.0000000000000000, 0.0000548700000000 ] - [ 0.0047557600000000, 0.0019503600000000, -0.0042302800000000 ] - [ 0.0047557600000000, -0.0019503600000000, -0.0042302800000000 ] - [ 0.0045902700000000, 0.0000000000000000, -0.0036382100000000 ] - [ 0.0092544600000000, -0.0029692400000000, 0.0009428300000000 ] - [ 0.0092544600000000, 0.0029692400000000, 0.0009428300000000 ] - [ 0.0095858700000000, 0.0000000000000000, -0.0028374100000000 ] - [ 0.0014295300000000, -0.0017306400000000, -0.0027793400000000 ] - [ 0.0014295300000000, 0.0017306400000000, -0.0027793400000000 ] - [ 0.0013740100000000, 0.0000000000000000, -0.0065711300000000 ] - [ -0.0007238800000000, 0.0000000000000000, -0.0040756200000000 ] - [ -0.0006534200000000, -0.0002455600000000, -0.0021594800000000 ] - [ -0.0006534200000000, 0.0002455600000000, -0.0021594800000000 ] - [ 0.0022532200000000, 0.0000000000000000, -0.0022862000000000 ] - [ 0.0020156300000000, -0.0004957500000000, 0.0001226100000000 ] - [ 0.0020156300000000, 0.0004957500000000, 0.0001226100000000 ] - [ -0.0148182500000000, 0.0000000000000000, -0.0062980700000000 ] - [ -0.0002805400000000, -0.0003008100000000, -0.0001446700000000 ] - [ -0.0002805400000000, 0.0003008100000000, -0.0001446700000000 ] - [ 0.0016212400000000, 0.0000000000000000, -0.0022739500000000 ] - [ 0.0019473900000000, -0.0003938100000000, 0.0001029900000000 ] - [ 0.0019473900000000, 0.0003938100000000, 0.0001029900000000 ] - [ 0.0127516800000000, 0.0000000000000000, -0.0053795200000000 ] - [ -0.0001184500000000, -0.0002984700000000, 0.0005500600000000 ] - [ -0.0001184500000000, 0.0002984700000000, 0.0005500600000000 ] - [ 0.0021933900000000, 0.0000000000000000, -0.0008598100000000 ] - [ 0.0022596400000000, -0.0000771600000000, -0.0005295200000000 ] - [ 0.0022596400000000, 0.0000771600000000, -0.0005295200000000 ] - [ 0.0001567300000000, 0.0000000000000000, -0.0039393200000000 ] - [ 0.0002861000000000, -0.0002413300000000, -0.0020933000000000 ] - [ 0.0002861000000000, 0.0002413300000000, -0.0020933000000000 ] - [ -0.0006170600000000, 0.0000000000000000, -0.0046617400000000 ] - [ -0.0004912200000000, 0.0002552200000000, -0.0028565600000000 ] - [ -0.0004912200000000, -0.0002552200000000, -0.0028565600000000 ] - [ 0.0024642600000000, 0.0000000000000000, -0.0001983800000000 ] - [ 0.0024741900000000, 0.0000902500000000, 0.0001026100000000 ] - [ 0.0024741900000000, -0.0000902500000000, 0.0001026100000000 ] - [ -0.0005117400000000, 0.0000000000000000, -0.0031484000000000 ] - [ -0.0004897800000000, -0.0000002700000000, -0.0024463000000000 ] - [ -0.0004897800000000, 0.0000002700000000, -0.0024463000000000 ] - [ 0.0025540700000000, 0.0000000000000000, -0.0002930600000000 ] - [ 0.0025899500000000, -0.0000833500000000, 0.0000115500000000 ] - [ 0.0025899500000000, 0.0000833500000000, 0.0000115500000000 ] - [ 0.0000999500000000, 0.0000000000000000, -0.0034961200000000 ] - [ 0.0001208200000000, -0.0000025600000000, -0.0028166500000000 ] - [ 0.0001208200000000, 0.0000025600000000, -0.0028166500000000 ] - [ 0.0030228600000000, 0.0000000000000000, -0.0023517100000000 ] - [ 0.0029607000000000, 0.0003463900000000, -0.0003916200000000 ] - [ 0.0029607000000000, -0.0003463900000000, -0.0003916200000000 ] - [ -0.0001862200000000, 0.0000000000000000, -0.0046430000000000 ] - [ -0.0002713800000000, 0.0002513100000000, -0.0022356800000000 ] - [ -0.0002713800000000, -0.0002513100000000, -0.0022356800000000 ] - [ 0.0128620200000000, 0.0000000000000000, 0.0556706100000000 ] - [ 0.0016292100000000, 0.0000000800000000, 0.0006495100000000 ] - [ 0.0016292100000000, -0.0000000800000000, 0.0006495100000000 ] - [ 0.0118087400000000, 0.0000000000000000, -0.0125988300000000 ] - [ 0.0005732200000000, 0.0002657700000000, 0.0010012100000000 ] - [ 0.0005732200000000, -0.0002657700000000, 0.0010012100000000 ] - [ 0.0022510900000000, 0.0000000000000000, -0.0021345400000000 ] - [ 0.0023282700000000, 0.0003185900000000, -0.0001421000000000 ] - [ 0.0023282700000000, -0.0003185900000000, -0.0001421000000000 ] - [ -0.0117912300000000, 0.0000000000000000, -0.0137511800000000 ] - [ -0.0002532700000000, 0.0003115600000000, -0.0006414100000000 ] - [ -0.0002532700000000, -0.0003115600000000, -0.0006414100000000 ] - [ 0.0023932500000000, 0.0000000000000000, -0.0005619000000000 ] - [ 0.0023913300000000, 0.0000673900000000, -0.0002352200000000 ] - [ 0.0023913300000000, -0.0000673900000000, -0.0002352200000000 ] - [ 0.0003096700000000, 0.0000000000000000, -0.0022703700000000 ] - [ 0.0022197000000000, 0.0001682500000000, 0.0007143900000000 ] - [ 0.0022197000000000, -0.0001682500000000, 0.0007143900000000 ] - [ 0.0055252800000000, 0.0002897200000000, -0.0040549600000000 ] - [ 0.0055252800000000, -0.0002897200000000, -0.0040549600000000 ] - [ 0.0055340300000000, 0.0000000000000000, -0.0039021500000000 ] - [ 0.0046530800000000, -0.0002358800000000, -0.0039974700000000 ] - [ 0.0046530800000000, 0.0002358800000000, -0.0039974700000000 ] - [ 0.0046456400000000, 0.0000000000000000, -0.0038425000000000 ] - [ 0.0046616900000000, 0.0018772400000000, -0.0031463000000000 ] - [ 0.0046616900000000, -0.0018772400000000, -0.0031463000000000 ] - [ 0.0049099000000000, 0.0000000000000000, -0.0025032900000000 ] - [ 0.0068898600000000, -0.0019523800000000, -0.0013464600000000 ] - [ 0.0068898600000000, 0.0019523800000000, -0.0013464600000000 ] - [ 0.0069080300000000, 0.0000000000000000, -0.0006863300000000 ] - [ 0.0047169600000000, 0.0002818900000000, -0.0049147200000000 ] - [ 0.0047169600000000, -0.0002818900000000, -0.0049147200000000 ] - [ 0.0047240900000000, 0.0000000000000000, -0.0047653000000000 ] - [ 0.0052038400000000, -0.0002608700000000, -0.0045805200000000 ] - [ 0.0052038400000000, 0.0002608700000000, -0.0045805200000000 ] - [ 0.0051954300000000, 0.0000000000000000, -0.0044149400000000 ] - [ 0.0069316400000000, -0.0020269100000000, 0.0037676000000000 ] - [ 0.0069316400000000, 0.0020269100000000, 0.0037676000000000 ] - [ 0.0068446900000000, 0.0000000000000000, 0.0043411700000000 ] - [ 0.0004270000000000, -0.0018986900000000, -0.0015727800000000 ] - [ 0.0004270000000000, 0.0018986900000000, -0.0015727800000000 ] - [ 0.0004331800000000, 0.0000000000000000, -0.0005415100000000 ] - [ -0.0002859600000000, -0.0005888700000000, 0.0010230400000000 ] - [ -0.0002859600000000, 0.0005888700000000, 0.0010230400000000 ] - [ -0.0002998800000000, 0.0000000000000000, 0.0004535400000000 ] - [ -0.0003967500000000, -0.0000095100000000, 0.0005632200000000 ] - [ -0.0003967500000000, 0.0000095100000000, 0.0005632200000000 ] - [ -0.0004007800000000, 0.0000000000000000, 0.0004112700000000 ] - [ -0.0000325900000000, -0.0005517000000000, 0.0008763400000000 ] - [ -0.0000325900000000, 0.0005517000000000, 0.0008763400000000 ] - [ -0.0000318000000000, 0.0000000000000000, 0.0003960000000000 ] - [ -0.0005745200000000, -0.0000010100000000, 0.0007822900000000 ] - [ -0.0005745200000000, 0.0000010100000000, 0.0007822900000000 ] - [ -0.0005723200000000, 0.0000000000000000, 0.0006264900000000 ] - [ 0.0000947500000000, 0.0005533700000000, 0.0009370900000000 ] - [ 0.0000947500000000, -0.0005533700000000, 0.0009370900000000 ] - [ 0.0000754100000000, 0.0000000000000000, 0.0004480400000000 ] - [ -0.0006138200000000, 0.0005083300000000, 0.0006370500000000 ] - [ -0.0006138200000000, -0.0005083300000000, 0.0006370500000000 ] - [ -0.0005899400000000, 0.0000000000000000, 0.0002134800000000 ] - [ -0.0100753100000000, 0.0000000000000000, 0.0048776100000000 ] - [ -0.0094247700000000, -0.0016790600000000, -0.0035566500000000 ] - [ -0.0094247700000000, 0.0016790600000000, -0.0035566500000000 ] - [ -0.0416757300000000, 0.0000000000000000, -0.0228613500000000 ] - [ -0.0112312300000000, -0.0012095100000000, 0.0022942900000000 ] - [ -0.0112312300000000, 0.0012095100000000, 0.0022942900000000 ] - [ 0.0198373000000000, 0.0000000000000000, -0.0142482200000000 ] - [ -0.0034722200000000, -0.0005231700000000, 0.0055805200000000 ] - [ -0.0034722200000000, 0.0005231700000000, 0.0055805200000000 ] - [ -0.0060864700000000, 0.0000000000000000, 0.0113374500000000 ] - [ -0.0062585700000000, 0.0015940400000000, 0.0045163200000000 ] - [ -0.0062585700000000, -0.0015940400000000, 0.0045163200000000 ] - [ -0.0062817900000000, 0.0000000000000000, 0.0085366900000000 ] - [ -0.0063588700000000, 0.0002339400000000, 0.0072237500000000 ] - [ -0.0063588700000000, -0.0002339400000000, 0.0072237500000000 ] - [ -0.0074322900000000, 0.0000000000000000, 0.0076141100000000 ] - [ -0.0074931600000000, 0.0002398200000000, 0.0062523200000000 ] - [ -0.0074931600000000, -0.0002398200000000, 0.0062523200000000 ] - [ -0.0058970000000000, 0.0000000000000000, 0.0106284500000000 ] - [ -0.0065281300000000, 0.0015877200000000, 0.0032687300000000 ] - [ -0.0065281300000000, -0.0015877200000000, 0.0032687300000000 ] - [ -0.0069633700000000, 0.0000000000000000, 0.0072108900000000 ] - [ -0.0069415900000000, -0.0002045300000000, 0.0060077300000000 ] - [ -0.0069415900000000, 0.0002045300000000, 0.0060077300000000 ] - [ -0.0085652500000000, 0.0000000000000000, 0.0103494200000000 ] - [ -0.0087728300000000, -0.0015068200000000, 0.0023682200000000 ] - [ -0.0087728300000000, 0.0015068200000000, 0.0023682200000000 ] - [ -0.0068668900000000, 0.0000000000000000, 0.0079038500000000 ] - [ -0.0069474900000000, -0.0002188700000000, 0.0066148600000000 ] - [ -0.0069474900000000, 0.0002188700000000, 0.0066148600000000 ]- atom: 64 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0002603200000000, -0.0003290400000000, 0.0003310400000000 ] - [ -0.0002603200000000, 0.0003290400000000, 0.0003310400000000 ] - [ -0.0005017100000000, 0.0000000000000000, 0.0000166600000000 ] - [ -0.0005433000000000, -0.0027264400000000, -0.0002914200000000 ] - [ -0.0005433000000000, 0.0027264400000000, -0.0002914200000000 ] - [ -0.0000705400000000, 0.0000000000000000, 0.0000398600000000 ] - [ -0.0020275600000000, 0.0018661700000000, 0.0003100700000000 ] - [ -0.0020275600000000, -0.0018661700000000, 0.0003100700000000 ] - [ -0.0002170500000000, 0.0000000000000000, 0.0002868800000000 ] - [ 0.0045550900000000, 0.0000134300000000, -0.0038219700000000 ] - [ 0.0045550900000000, -0.0000134300000000, -0.0038219700000000 ] - [ 0.0044949700000000, 0.0000000000000000, -0.0037857000000000 ] - [ 0.0108752500000000, 0.0007207700000000, -0.0036888500000000 ] - [ 0.0108752500000000, -0.0007207700000000, -0.0036888500000000 ] - [ 0.0097331500000000, 0.0000000000000000, -0.0035717000000000 ] - [ -0.0020719900000000, -0.0020584200000000, -0.0066929900000000 ] - [ -0.0020719900000000, 0.0020584200000000, -0.0066929900000000 ] - [ 0.0012947300000000, 0.0000000000000000, -0.0073055500000000 ] - [ -0.0005939600000000, 0.0000000000000000, -0.0014007200000000 ] - [ -0.0006358700000000, 0.0000093000000000, -0.0014147500000000 ] - [ -0.0006358700000000, -0.0000093000000000, -0.0014147500000000 ] - [ 0.0016706600000000, 0.0000000000000000, 0.0001229600000000 ] - [ 0.0018733100000000, 0.0000140100000000, 0.0001859700000000 ] - [ 0.0018733100000000, -0.0000140100000000, 0.0001859700000000 ] - [ 0.0020950900000000, 0.0000000000000000, 0.0045768700000000 ] - [ -0.0002789000000000, 0.0001366300000000, -0.0021826600000000 ] - [ -0.0002789000000000, -0.0001366300000000, -0.0021826600000000 ] - [ 0.0026874600000000, 0.0000000000000000, 0.0003799400000000 ] - [ 0.0020237500000000, 0.0000562500000000, 0.0000144700000000 ] - [ 0.0020237500000000, -0.0000562500000000, 0.0000144700000000 ] - [ 0.0023142000000000, 0.0000000000000000, -0.0025987000000000 ] - [ 0.0000516400000000, -0.0000251600000000, -0.0017538600000000 ] - [ 0.0000516400000000, 0.0000251600000000, -0.0017538600000000 ] - [ 0.0021556200000000, 0.0000000000000000, -0.0000969900000000 ] - [ 0.0022344600000000, 0.0000187500000000, -0.0000978700000000 ] - [ 0.0022344600000000, -0.0000187500000000, -0.0000978700000000 ] - [ 0.0002992700000000, 0.0000000000000000, -0.0008597500000000 ] - [ 0.0003314800000000, 0.0000502200000000, -0.0012763000000000 ] - [ 0.0003314800000000, -0.0000502200000000, -0.0012763000000000 ] - [ 0.0019027500000000, 0.0000000000000000, -0.0002446900000000 ] - [ -0.0003893300000000, -0.0000230000000000, -0.0015387000000000 ] - [ -0.0003893300000000, 0.0000230000000000, -0.0015387000000000 ] - [ 0.0020732600000000, 0.0000000000000000, 0.0007431800000000 ] - [ 0.0023885900000000, -0.0000306500000000, 0.0006813800000000 ] - [ 0.0023885900000000, 0.0000306500000000, 0.0006813800000000 ] - [ -0.0005319500000000, 0.0000000000000000, -0.0019638300000000 ] - [ -0.0004906600000000, 0.0000662400000000, -0.0011779200000000 ] - [ -0.0004906600000000, -0.0000662400000000, -0.0011779200000000 ] - [ 0.0027191900000000, 0.0000000000000000, 0.0004366100000000 ] - [ 0.0026457900000000, 0.0000231600000000, 0.0004373000000000 ] - [ 0.0026457900000000, -0.0000231600000000, 0.0004373000000000 ] - [ 0.0002128800000000, 0.0000000000000000, -0.0013589500000000 ] - [ 0.0001504000000000, 0.0000121100000000, -0.0014029400000000 ] - [ 0.0001504000000000, -0.0000121100000000, -0.0014029400000000 ] - [ 0.0118333900000000, 0.0000000000000000, 0.0132803700000000 ] - [ 0.0026007600000000, -0.0001067500000000, -0.0001639200000000 ] - [ 0.0026007600000000, 0.0001067500000000, -0.0001639200000000 ] - [ 0.0013849000000000, 0.0000000000000000, -0.0104159500000000 ] - [ -0.0002790200000000, 0.0001761200000000, -0.0012714100000000 ] - [ -0.0002790200000000, -0.0001761200000000, -0.0012714100000000 ] - [ 0.0107819500000000, 0.0000000000000000, -0.0113871300000000 ] - [ 0.0011180100000000, -0.0001050000000000, -0.0003358800000000 ] - [ 0.0011180100000000, 0.0001050000000000, -0.0003358800000000 ] - [ -0.0525366000000000, 0.0000000000000000, 0.0011501700000000 ] - [ -0.0000177600000000, -0.0000971600000000, -0.0003423100000000 ] - [ -0.0000177600000000, 0.0000971600000000, -0.0003423100000000 ] - [ 0.0130265500000000, 0.0000000000000000, -0.0099894700000000 ] - [ 0.0025535100000000, 0.0000519300000000, -0.0001892200000000 ] - [ 0.0025535100000000, -0.0000519300000000, -0.0001892200000000 ] - [ 0.0048371000000000, 0.0000000000000000, -0.0024574400000000 ] - [ 0.0001490700000000, -0.0003028800000000, -0.0020822600000000 ] - [ 0.0001490700000000, 0.0003028800000000, -0.0020822600000000 ] - [ 0.0033501400000000, 0.0000000000000000, -0.0000193900000000 ] - [ 0.0025413500000000, 0.0000729000000000, 0.0002081100000000 ] - [ 0.0025413500000000, -0.0000729000000000, 0.0002081100000000 ] - [ 0.0155524000000000, 0.0000000000000000, 0.0104056100000000 ] - [ 0.0026362300000000, -0.0000027200000000, 0.0002994700000000 ] - [ 0.0026362300000000, 0.0000027200000000, 0.0002994700000000 ] - [ 0.0055354000000000, -0.0000444500000000, -0.0034710500000000 ] - [ 0.0055354000000000, 0.0000444500000000, -0.0034710500000000 ] - [ 0.0055316600000000, 0.0000000000000000, -0.0034685000000000 ] - [ 0.0047340900000000, 0.0000080700000000, -0.0032804600000000 ] - [ 0.0047340900000000, -0.0000080700000000, -0.0032804600000000 ] - [ 0.0046718400000000, 0.0000000000000000, -0.0033176700000000 ] - [ 0.0048642500000000, -0.0004048300000000, -0.0024779000000000 ] - [ 0.0048642500000000, 0.0004048300000000, -0.0024779000000000 ] - [ 0.0049337300000000, 0.0000000000000000, -0.0026135500000000 ] - [ 0.0081087300000000, 0.0007234200000000, -0.0003039100000000 ] - [ 0.0081087300000000, -0.0007234200000000, -0.0003039100000000 ] - [ 0.0069927500000000, 0.0000000000000000, -0.0005381300000000 ] - [ 0.0047146000000000, -0.0001294000000000, -0.0043584000000000 ] - [ 0.0047146000000000, 0.0001294000000000, -0.0043584000000000 ] - [ 0.0047137600000000, 0.0000000000000000, -0.0043455100000000 ] - [ 0.0050720900000000, -0.0005522200000000, -0.0041809700000000 ] - [ 0.0050720900000000, 0.0005522200000000, -0.0041809700000000 ] - [ 0.0051641000000000, 0.0000000000000000, -0.0039747100000000 ] - [ 0.0032517400000000, -0.0025134300000000, 0.0039126800000000 ] - [ 0.0032517400000000, 0.0025134300000000, 0.0039126800000000 ] - [ 0.0067623100000000, 0.0000000000000000, 0.0044902500000000 ] - [ -0.0000408800000000, 0.0007449500000000, -0.0001626100000000 ] - [ -0.0000408800000000, -0.0007449500000000, -0.0001626100000000 ] - [ 0.0003373900000000, 0.0000000000000000, 0.0002271200000000 ] - [ -0.0002152300000000, 0.0000391100000000, 0.0001337400000000 ] - [ -0.0002152300000000, -0.0000391100000000, 0.0001337400000000 ] - [ -0.0002649500000000, 0.0000000000000000, 0.0001329100000000 ] - [ -0.0002843300000000, 0.0000598600000000, -0.0001837900000000 ] - [ -0.0002843300000000, -0.0000598600000000, -0.0001837900000000 ] - [ -0.0003492300000000, 0.0000000000000000, -0.0002039600000000 ] - [ -0.0001123700000000, 0.0000887200000000, 0.0000400200000000 ] - [ -0.0001123700000000, -0.0000887200000000, 0.0000400200000000 ] - [ -0.0000705500000000, 0.0000000000000000, 0.0000826200000000 ] - [ -0.0006804900000000, 0.0000869000000000, 0.0000674500000000 ] - [ -0.0006804900000000, -0.0000869000000000, 0.0000674500000000 ] - [ -0.0006258000000000, 0.0000000000000000, 0.0000241200000000 ] - [ 0.0007265600000000, -0.0006137600000000, -0.0008387900000000 ] - [ 0.0007265600000000, 0.0006137600000000, -0.0008387900000000 ] - [ 0.0001763300000000, 0.0000000000000000, -0.0001291300000000 ] - [ -0.0012480000000000, 0.0008493400000000, 0.0002265500000000 ] - [ -0.0012480000000000, -0.0008493400000000, 0.0002265500000000 ] - [ -0.0007224000000000, 0.0000000000000000, -0.0002635900000000 ] - [ 0.0119683500000000, 0.0000000000000000, -0.0303115100000000 ] - [ -0.0089938500000000, -0.0008463300000000, -0.0038746200000000 ] - [ -0.0089938500000000, 0.0008463300000000, -0.0038746200000000 ] - [ -0.0281122500000000, 0.0000000000000000, 0.0064595700000000 ] - [ -0.0115471100000000, 0.0007386300000000, 0.0057520500000000 ] - [ -0.0115471100000000, -0.0007386300000000, 0.0057520500000000 ] - [ 0.0154009000000000, 0.0000000000000000, 0.0349237600000000 ] - [ -0.0030414600000000, -0.0005022200000000, 0.0089504500000000 ] - [ -0.0030414600000000, 0.0005022200000000, 0.0089504500000000 ] - [ -0.0061272400000000, 0.0000000000000000, 0.0057706400000000 ] - [ -0.0059562800000000, 0.0000021600000000, 0.0052341500000000 ] - [ -0.0059562800000000, -0.0000021600000000, 0.0052341500000000 ] - [ -0.0063199200000000, 0.0000000000000000, 0.0058884800000000 ] - [ -0.0063892500000000, -0.0000914200000000, 0.0058043200000000 ] - [ -0.0063892500000000, 0.0000914200000000, 0.0058043200000000 ] - [ -0.0074926700000000, 0.0000000000000000, 0.0047649400000000 ] - [ -0.0075243100000000, -0.0000425000000000, 0.0047891500000000 ] - [ -0.0075243100000000, 0.0000425000000000, 0.0047891500000000 ] - [ -0.0061544900000000, 0.0000000000000000, 0.0016282800000000 ] - [ -0.0067227100000000, -0.0002644500000000, 0.0037954500000000 ] - [ -0.0067227100000000, 0.0002644500000000, 0.0037954500000000 ] - [ -0.0072550700000000, 0.0000000000000000, 0.0033883800000000 ] - [ -0.0070327500000000, -0.0000160400000000, 0.0041804200000000 ] - [ -0.0070327500000000, 0.0000160400000000, 0.0041804200000000 ] - [ -0.0225755800000000, 0.0000000000000000, 0.0005586300000000 ] - [ -0.0090265900000000, 0.0006287300000000, 0.0019819500000000 ] - [ -0.0090265900000000, -0.0006287300000000, 0.0019819500000000 ] - [ -0.0065184700000000, 0.0000000000000000, 0.0077346600000000 ] - [ -0.0069420000000000, -0.0003518100000000, 0.0050759600000000 ] - [ -0.0069420000000000, 0.0003518100000000, 0.0050759600000000 ]- atom: 64 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0008163500000000, 0.0003284500000000, -0.0004654100000000 ] - [ -0.0008163500000000, -0.0003284500000000, -0.0004654100000000 ] - [ -0.0005702300000000, 0.0000000000000000, -0.0001476800000000 ] - [ 0.0002110000000000, 0.0026664100000000, 0.0004036000000000 ] - [ 0.0002110000000000, -0.0026664100000000, 0.0004036000000000 ] - [ -0.0001975200000000, 0.0000000000000000, 0.0000767600000000 ] - [ 0.0017150800000000, -0.0018522500000000, 0.0003099600000000 ] - [ 0.0017150800000000, 0.0018522500000000, 0.0003099600000000 ] - [ -0.0000931000000000, 0.0000000000000000, 0.0003338200000000 ] - [ 0.0044185600000000, -0.0000165800000000, -0.0035749200000000 ] - [ 0.0044185600000000, 0.0000165800000000, -0.0035749200000000 ] - [ 0.0044795000000000, 0.0000000000000000, -0.0036121400000000 ] - [ 0.0083962900000000, -0.0007414300000000, -0.0031935200000000 ] - [ 0.0083962900000000, 0.0007414300000000, -0.0031935200000000 ] - [ 0.0095378400000000, 0.0000000000000000, -0.0033143500000000 ] - [ 0.0048116900000000, 0.0021203800000000, -0.0077678500000000 ] - [ 0.0048116900000000, -0.0021203800000000, -0.0077678500000000 ] - [ 0.0014639900000000, 0.0000000000000000, -0.0071238400000000 ] - [ -0.0006990800000000, 0.0000000000000000, -0.0011982500000000 ] - [ -0.0006580700000000, -0.0000091600000000, -0.0011868700000000 ] - [ -0.0006580700000000, 0.0000091600000000, -0.0011868700000000 ] - [ 0.0022874600000000, 0.0000000000000000, 0.0003904100000000 ] - [ 0.0020687500000000, -0.0000143200000000, 0.0003279700000000 ] - [ 0.0020687500000000, 0.0000143200000000, 0.0003279700000000 ] - [ -0.0027120900000000, 0.0000000000000000, -0.0086902500000000 ] - [ -0.0003594800000000, -0.0001423300000000, -0.0017761000000000 ] - [ -0.0003594800000000, 0.0001423300000000, -0.0017761000000000 ] - [ 0.0011938300000000, 0.0000000000000000, -0.0002695200000000 ] - [ 0.0018682400000000, -0.0000565700000000, 0.0000965300000000 ] - [ 0.0018682400000000, 0.0000565700000000, 0.0000965300000000 ] - [ -0.0024128900000000, 0.0000000000000000, -0.0000078600000000 ] - [ -0.0001530300000000, 0.0000265800000000, -0.0008920000000000 ] - [ -0.0001530300000000, -0.0000265800000000, -0.0008920000000000 ] - [ 0.0024063900000000, 0.0000000000000000, -0.0000877400000000 ] - [ 0.0023249200000000, -0.0000189900000000, -0.0000867600000000 ] - [ 0.0023249200000000, 0.0000189900000000, -0.0000867600000000 ] - [ 0.0003934300000000, 0.0000000000000000, -0.0016207700000000 ] - [ 0.0003561200000000, -0.0000513100000000, -0.0011920600000000 ] - [ 0.0003561200000000, 0.0000513100000000, -0.0011920600000000 ] - [ -0.0029116000000000, 0.0000000000000000, -0.0036962500000000 ] - [ -0.0006218100000000, 0.0000247900000000, -0.0023603900000000 ] - [ -0.0006218100000000, -0.0000247900000000, -0.0023603900000000 ] - [ 0.0029051900000000, 0.0000000000000000, 0.0003358700000000 ] - [ 0.0025778600000000, 0.0000307100000000, 0.0003960500000000 ] - [ 0.0025778600000000, -0.0000307100000000, 0.0003960500000000 ] - [ -0.0004188400000000, 0.0000000000000000, -0.0003397600000000 ] - [ -0.0004648400000000, -0.0000672900000000, -0.0011358400000000 ] - [ -0.0004648400000000, 0.0000672900000000, -0.0011358400000000 ] - [ 0.0024913700000000, 0.0000000000000000, 0.0004463100000000 ] - [ 0.0025637100000000, -0.0000232100000000, 0.0004459300000000 ] - [ 0.0025637100000000, 0.0000232100000000, 0.0004459300000000 ] - [ 0.0000520600000000, 0.0000000000000000, -0.0016669600000000 ] - [ 0.0001131400000000, -0.0000116800000000, -0.0016198000000000 ] - [ 0.0001131400000000, 0.0000116800000000, -0.0016198000000000 ] - [ -0.0059764100000000, 0.0000000000000000, -0.0141073900000000 ] - [ 0.0032785400000000, 0.0001087500000000, -0.0005388800000000 ] - [ 0.0032785400000000, -0.0001087500000000, -0.0005388800000000 ] - [ -0.0019157500000000, 0.0000000000000000, 0.0077231700000000 ] - [ -0.0002843900000000, -0.0001813100000000, -0.0015562100000000 ] - [ -0.0002843900000000, 0.0001813100000000, -0.0015562100000000 ] - [ -0.0079518600000000, 0.0000000000000000, 0.0111331200000000 ] - [ 0.0017218400000000, 0.0001065800000000, -0.0000267500000000 ] - [ 0.0017218400000000, -0.0001065800000000, -0.0000267500000000 ] - [ 0.0541348700000000, 0.0000000000000000, -0.0020033600000000 ] - [ 0.0008593800000000, 0.0000953000000000, -0.0005647300000000 ] - [ 0.0008593800000000, -0.0000953000000000, -0.0005647300000000 ] - [ -0.0082071300000000, 0.0000000000000000, 0.0094628300000000 ] - [ 0.0021357200000000, -0.0000507400000000, -0.0001444100000000 ] - [ 0.0021357200000000, 0.0000507400000000, -0.0001444100000000 ] - [ -0.0051476800000000, 0.0000000000000000, -0.0016652500000000 ] - [ -0.0004018900000000, 0.0003088100000000, -0.0020388800000000 ] - [ -0.0004018900000000, -0.0003088100000000, -0.0020388800000000 ] - [ 0.0015020900000000, 0.0000000000000000, 0.0003881100000000 ] - [ 0.0023166100000000, -0.0000727000000000, 0.0001624600000000 ] - [ 0.0023166100000000, 0.0000727000000000, 0.0001624600000000 ] - [ -0.0105908200000000, 0.0000000000000000, -0.0096912000000000 ] - [ 0.0021811900000000, 0.0000035800000000, 0.0002263100000000 ] - [ 0.0021811900000000, -0.0000035800000000, 0.0002263100000000 ] - [ 0.0055186700000000, 0.0000443400000000, -0.0034647300000000 ] - [ 0.0055186700000000, -0.0000443400000000, -0.0034647300000000 ] - [ 0.0055224500000000, 0.0000000000000000, -0.0034672700000000 ] - [ 0.0045657200000000, -0.0000098800000000, -0.0035363300000000 ] - [ 0.0045657200000000, 0.0000098800000000, -0.0035363300000000 ] - [ 0.0046279100000000, 0.0000000000000000, -0.0034978700000000 ] - [ 0.0050299000000000, 0.0004141000000000, -0.0026857100000000 ] - [ 0.0050299000000000, -0.0004141000000000, -0.0026857100000000 ] - [ 0.0049604100000000, 0.0000000000000000, -0.0025470000000000 ] - [ 0.0057370100000000, -0.0007453900000000, -0.0010478900000000 ] - [ 0.0057370100000000, 0.0007453900000000, -0.0010478900000000 ] - [ 0.0068523500000000, 0.0000000000000000, -0.0008087100000000 ] - [ 0.0047244100000000, 0.0001312100000000, -0.0043103800000000 ] - [ 0.0047244100000000, -0.0001312100000000, -0.0043103800000000 ] - [ 0.0047256200000000, 0.0000000000000000, -0.0043234500000000 ] - [ 0.0053321600000000, 0.0005588400000000, -0.0038149500000000 ] - [ 0.0053321600000000, -0.0005588400000000, -0.0038149500000000 ] - [ 0.0052402300000000, 0.0000000000000000, -0.0040240800000000 ] - [ 0.0104848500000000, 0.0025719600000000, 0.0048551300000000 ] - [ 0.0104848500000000, -0.0025719600000000, 0.0048551300000000 ] - [ 0.0069924300000000, 0.0000000000000000, 0.0042439600000000 ] - [ 0.0009194000000000, -0.0007448800000000, 0.0003743900000000 ] - [ 0.0009194000000000, 0.0007448800000000, 0.0003743900000000 ] - [ 0.0005289700000000, 0.0000000000000000, -0.0000119700000000 ] - [ -0.0003926100000000, -0.0000412700000000, 0.0000440600000000 ] - [ -0.0003926100000000, 0.0000412700000000, 0.0000440600000000 ] - [ -0.0003411000000000, 0.0000000000000000, 0.0000451500000000 ] - [ -0.0005089600000000, -0.0000608400000000, -0.0001534600000000 ] - [ -0.0005089600000000, 0.0000608400000000, -0.0001534600000000 ] - [ -0.0004438600000000, 0.0000000000000000, -0.0001332900000000 ] - [ 0.0000429300000000, -0.0000890000000000, 0.0000574900000000 ] - [ 0.0000429300000000, 0.0000890000000000, 0.0000574900000000 ] - [ 0.0000003100000000, 0.0000000000000000, 0.0000144700000000 ] - [ -0.0004801900000000, -0.0000870600000000, 0.0000130900000000 ] - [ -0.0004801900000000, 0.0000870600000000, 0.0000130900000000 ] - [ -0.0005359300000000, 0.0000000000000000, 0.0000548500000000 ] - [ -0.0005583400000000, 0.0006134700000000, 0.0009019800000000 ] - [ -0.0005583400000000, -0.0006134700000000, 0.0009019800000000 ] - [ 0.0000014000000000, 0.0000000000000000, 0.0001900000000000 ] - [ 0.0000468000000000, -0.0008453700000000, -0.0005449900000000 ] - [ 0.0000468000000000, 0.0008453700000000, -0.0005449900000000 ] - [ -0.0004887300000000, 0.0000000000000000, -0.0000578200000000 ] - [ -0.0312366300000000, 0.0000000000000000, 0.0239812300000000 ] - [ -0.0098822100000000, 0.0008710200000000, -0.0027371300000000 ] - [ -0.0098822100000000, -0.0008710200000000, -0.0027371300000000 ] - [ 0.0057305200000000, 0.0000000000000000, 0.0038508200000000 ] - [ -0.0108130700000000, -0.0007572000000000, 0.0046061400000000 ] - [ -0.0108130700000000, 0.0007572000000000, 0.0046061400000000 ] - [ -0.0226972600000000, 0.0000000000000000, -0.0182428700000000 ] - [ -0.0038869800000000, 0.0005312300000000, 0.0080267300000000 ] - [ -0.0038869800000000, -0.0005312300000000, 0.0080267300000000 ] - [ -0.0058218900000000, 0.0000000000000000, 0.0040340600000000 ] - [ -0.0059805500000000, -0.0000050900000000, 0.0045932000000000 ] - [ -0.0059805500000000, 0.0000050900000000, 0.0045932000000000 ] - [ -0.0064747300000000, 0.0000000000000000, 0.0056470700000000 ] - [ -0.0064001400000000, 0.0000911700000000, 0.0057250800000000 ] - [ -0.0064001400000000, -0.0000911700000000, 0.0057250800000000 ] - [ -0.0075520700000000, 0.0000000000000000, 0.0047814800000000 ] - [ -0.0075201300000000, 0.0000447800000000, 0.0047616500000000 ] - [ -0.0075201300000000, -0.0000447800000000, 0.0047616500000000 ] - [ -0.0073626600000000, 0.0000000000000000, 0.0056945300000000 ] - [ -0.0067905200000000, 0.0002726200000000, 0.0034835600000000 ] - [ -0.0067905200000000, -0.0002726200000000, 0.0034835600000000 ] - [ -0.0066632500000000, 0.0000000000000000, 0.0056041300000000 ] - [ -0.0068775700000000, 0.0000142900000000, 0.0047870200000000 ] - [ -0.0068775700000000, -0.0000142900000000, 0.0047870200000000 ] - [ 0.0050381300000000, 0.0000000000000000, 0.0045074000000000 ] - [ -0.0084955400000000, -0.0006463100000000, 0.0030336000000000 ] - [ -0.0084955400000000, 0.0006463100000000, 0.0030336000000000 ] - [ -0.0074807600000000, 0.0000000000000000, 0.0025317000000000 ] - [ -0.0070562900000000, 0.0003564800000000, 0.0052278400000000 ] - [ -0.0070562900000000, -0.0003564800000000, 0.0052278400000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009277600000000, 0.0002186800000000, 0.0003460300000000 ] - [ -0.0001423800000000, 0.0002280900000000, -0.0004807900000000 ] - [ -0.0005341300000000, -0.0003638900000000, -0.0000672900000000 ] - [ -0.0022896500000000, 0.0000268600000000, -0.0001211600000000 ] - [ 0.0019501000000000, 0.0001236100000000, 0.0002272700000000 ] - [ -0.0001307400000000, -0.0006722600000000, 0.0000569900000000 ] - [ 0.0023626600000000, -0.0007116000000000, 0.0002277800000000 ] - [ -0.0026911500000000, -0.0007059900000000, 0.0003918000000000 ] - [ -0.0001562000000000, -0.0006185500000000, 0.0003094300000000 ] - [ 0.0044000600000000, -0.0002213900000000, -0.0038236900000000 ] - [ 0.0045743800000000, -0.0002307500000000, -0.0035744400000000 ] - [ 0.0044878000000000, 0.0004547400000000, -0.0036982700000000 ] - [ 0.0097172800000000, -0.0009724700000000, -0.0036948000000000 ] - [ 0.0095536800000000, -0.0009939300000000, -0.0031891800000000 ] - [ 0.0096368000000000, 0.0017937700000000, -0.0034430800000000 ] - [ -0.0009448000000000, 0.0095116700000000, -0.0193514300000000 ] - [ 0.0037379300000000, 0.0096231700000000, 0.0051160600000000 ] - [ 0.0013801200000000, 0.0047506000000000, -0.0072093800000000 ] - [ -0.0006472100000000, -0.0000861900000000, -0.0013031600000000 ] - [ -0.0006430900000000, 0.0000438100000000, -0.0011459200000000 ] - [ -0.0006507400000000, 0.0000457300000000, -0.0014530300000000 ] - [ 0.0019768400000000, -0.0001682400000000, 0.0002538300000000 ] - [ 0.0018257600000000, 0.0000786500000000, 0.0004367400000000 ] - [ 0.0021110100000000, 0.0000815000000000, 0.0000797600000000 ] - [ -0.0003249700000000, 0.0021844200000000, -0.0021087000000000 ] - [ -0.0001139500000000, 0.0015441500000000, 0.0006898800000000 ] - [ -0.0005209600000000, 0.0015345900000000, -0.0045998200000000 ] - [ 0.0019393800000000, -0.0002948600000000, 0.0000499500000000 ] - [ 0.0021204300000000, 0.0001002100000000, 0.0002938200000000 ] - [ 0.0017766600000000, 0.0001039900000000, -0.0001792700000000 ] - [ -0.0000500700000000, -0.0002238300000000, -0.0013326100000000 ] - [ -0.0000264200000000, 0.0001818800000000, -0.0007564700000000 ] - [ -0.0000734900000000, 0.0001857800000000, -0.0018851500000000 ] - [ 0.0022809000000000, -0.0000680200000000, -0.0000918100000000 ] - [ 0.0022619600000000, 0.0000267900000000, -0.0000965200000000 ] - [ 0.0022965100000000, 0.0000285000000000, -0.0000875000000000 ] - [ 0.0003464900000000, 0.0000799200000000, -0.0012451000000000 ] - [ 0.0003195700000000, 0.0001336500000000, -0.0009325000000000 ] - [ 0.0003674100000000, 0.0001367300000000, -0.0015280000000000 ] - [ -0.0005043900000000, -0.0002775400000000, -0.0019420200000000 ] - [ -0.0005021900000000, 0.0002033400000000, -0.0024531000000000 ] - [ -0.0005085400000000, 0.0002073700000000, -0.0014491700000000 ] - [ 0.0024874400000000, -0.0002767500000000, 0.0005425600000000 ] - [ 0.0023476500000000, 0.0001108100000000, 0.0003596100000000 ] - [ 0.0026154300000000, 0.0001145400000000, 0.0007156200000000 ] - [ -0.0004749500000000, 0.0000616900000000, -0.0011444900000000 ] - [ -0.0005033900000000, 0.0001438000000000, -0.0014868100000000 ] - [ -0.0004525700000000, 0.0001470000000000, -0.0008333200000000 ] - [ 0.0026050800000000, -0.0000601800000000, 0.0004419500000000 ] - [ 0.0026283400000000, 0.0000287400000000, 0.0004373400000000 ] - [ 0.0025826900000000, 0.0000303100000000, 0.0004465700000000 ] - [ 0.0001317300000000, -0.0000924500000000, -0.0015084500000000 ] - [ 0.0001349800000000, 0.0000470100000000, -0.0016721800000000 ] - [ 0.0001286000000000, 0.0000487100000000, -0.0013518000000000 ] - [ 0.0029740900000000, -0.0046133900000000, -0.0003232000000000 ] - [ 0.0017200400000000, 0.0008192000000000, -0.0007485800000000 ] - [ 0.0041376100000000, 0.0008192800000000, 0.0000422900000000 ] - [ -0.0002775600000000, 0.0020509400000000, -0.0012885700000000 ] - [ -0.0002297400000000, 0.0016530300000000, -0.0039027600000000 ] - [ -0.0003328700000000, 0.0016421000000000, 0.0010303500000000 ] - [ 0.0014542800000000, -0.0042698900000000, -0.0002039600000000 ] - [ 0.0002397500000000, 0.0007463400000000, 0.0000847100000000 ] - [ 0.0025790400000000, 0.0007460600000000, -0.0004452600000000 ] - [ 0.0006231900000000, -0.0404784700000000, -0.0004444300000000 ] - [ 0.0005173700000000, 0.0018264200000000, -0.0004715600000000 ] - [ 0.0003247400000000, 0.0018210700000000, -0.0004382000000000 ] - [ 0.0023195400000000, -0.0039061900000000, -0.0001602400000000 ] - [ 0.0034769400000000, 0.0008412000000000, -0.0004188400000000 ] - [ 0.0012335600000000, 0.0008406200000000, 0.0000840400000000 ] - [ -0.0001329300000000, -0.0011624200000000, -0.0020598400000000 ] - [ -0.0003223500000000, 0.0004130700000000, -0.0020215100000000 ] - [ 0.0000688400000000, 0.0004126700000000, -0.0021019500000000 ] - [ 0.0024257600000000, -0.0002650400000000, 0.0001897000000000 ] - [ 0.0025714800000000, 0.0001012800000000, -0.0000302600000000 ] - [ 0.0022909300000000, 0.0001046000000000, 0.0003981100000000 ] - [ 0.0023814800000000, -0.0039515200000000, 0.0002543000000000 ] - [ 0.0035862400000000, 0.0008486500000000, 0.0004915300000000 ] - [ 0.0012531600000000, 0.0008484400000000, 0.0000350500000000 ] - [ 0.0055235300000000, -0.0000845800000000, -0.0034648100000000 ] - [ 0.0055307600000000, -0.0000891300000000, -0.0034704200000000 ] - [ 0.0055271100000000, 0.0001746800000000, -0.0034675900000000 ] - [ 0.0046312500000000, -0.0002088500000000, -0.0032264100000000 ] - [ 0.0046686000000000, -0.0002190300000000, -0.0035890400000000 ] - [ 0.0046501000000000, 0.0004273600000000, -0.0034085500000000 ] - [ 0.0049805300000000, -0.0002566100000000, -0.0029134500000000 ] - [ 0.0049136000000000, -0.0002834500000000, -0.0022471400000000 ] - [ 0.0049466800000000, 0.0011488800000000, -0.0025755700000000 ] - [ 0.0070658100000000, -0.0008565900000000, -0.0003541900000000 ] - [ 0.0067779700000000, -0.0008756500000000, -0.0009951300000000 ] - [ 0.0069229600000000, 0.0016177100000000, -0.0006735100000000 ] - [ 0.0047157800000000, -0.0000616100000000, -0.0043229800000000 ] - [ 0.0047231400000000, -0.0000703000000000, -0.0043451500000000 ] - [ 0.0047197300000000, 0.0002715900000000, -0.0043344100000000 ] - [ 0.0052055900000000, -0.0001780000000000, -0.0035614300000000 ] - [ 0.0051985500000000, -0.0002020700000000, -0.0044369100000000 ] - [ 0.0052017100000000, 0.0010769700000000, -0.0040046300000000 ] - [ 0.0048407800000000, 0.0095706000000000, 0.0169625000000000 ] - [ 0.0089416500000000, 0.0096813900000000, -0.0084308300000000 ] - [ 0.0068769000000000, 0.0043377900000000, 0.0043613900000000 ] - [ 0.0013603200000000, 0.0004961500000000, 0.0008768900000000 ] - [ -0.0004965400000000, 0.0005207500000000, -0.0006703200000000 ] - [ 0.0004283700000000, -0.0008413600000000, 0.0001038500000000 ] - [ -0.0003393100000000, 0.0000800100000000, 0.0001642300000000 ] - [ -0.0002677500000000, 0.0000868000000000, 0.0000144200000000 ] - [ -0.0003021300000000, -0.0001669400000000, 0.0000883300000000 ] - [ -0.0004288000000000, 0.0000820600000000, -0.0002404500000000 ] - [ -0.0003639900000000, 0.0000878600000000, -0.0000972200000000 ] - [ -0.0003956900000000, -0.0001684600000000, -0.0001678300000000 ] - [ -0.0000064800000000, 0.0000927900000000, 0.0001291700000000 ] - [ -0.0000642900000000, 0.0000982800000000, -0.0000310200000000 ] - [ -0.0000361800000000, -0.0001857500000000, 0.0000474800000000 ] - [ -0.0005545700000000, 0.0000904000000000, -0.0000352000000000 ] - [ -0.0006067800000000, 0.0000957700000000, 0.0001149700000000 ] - [ -0.0005817500000000, -0.0001815800000000, 0.0000403300000000 ] - [ -0.0007612300000000, 0.0004282400000000, -0.0009014200000000 ] - [ 0.0009418900000000, 0.0004492000000000, 0.0009678000000000 ] - [ 0.0000926700000000, -0.0007771600000000, 0.0000329400000000 ] - [ 0.0002864500000000, 0.0004764700000000, -0.0009002000000000 ] - [ -0.0015007500000000, 0.0004981400000000, 0.0005828800000000 ] - [ -0.0006099400000000, -0.0008294400000000, -0.0001582500000000 ] - [ -0.0095286400000000, 0.0161092000000000, -0.0029063500000000 ] - [ -0.0097121200000000, -0.0103892900000000, -0.0015189400000000 ] - [ -0.0091663300000000, -0.0103264400000000, -0.0050655800000000 ] - [ -0.0111854400000000, 0.0020995000000000, 0.0051750000000000 ] - [ -0.0109059700000000, -0.0010389600000000, 0.0044279400000000 ] - [ -0.0114536100000000, -0.0010527600000000, 0.0059284700000000 ] - [ -0.0035362700000000, 0.0164233100000000, 0.0080974700000000 ] - [ -0.0037283600000000, -0.0107500700000000, 0.0066879800000000 ] - [ -0.0032021000000000, -0.0106885100000000, 0.0102653000000000 ] - [ -0.0059700700000000, 0.0004702400000000, 0.0049183100000000 ] - [ -0.0059969000000000, -0.0002330700000000, 0.0044620100000000 ] - [ -0.0059404700000000, -0.0002394400000000, 0.0053596600000000 ] - [ -0.0063979600000000, 0.0000477600000000, 0.0057666900000000 ] - [ -0.0063993800000000, -0.0001493100000000, 0.0057692200000000 ] - [ -0.0063908100000000, -0.0001546000000000, 0.0057590800000000 ] - [ -0.0075224200000000, 0.0001533900000000, 0.0047727400000000 ] - [ -0.0075180100000000, -0.0000746700000000, 0.0047721600000000 ] - [ -0.0075270600000000, -0.0000809400000000, 0.0047776400000000 ] - [ -0.0067609200000000, 0.0008787100000000, 0.0036772800000000 ] - [ -0.0066260700000000, -0.0006200700000000, 0.0019155800000000 ] - [ -0.0068846900000000, -0.0006408300000000, 0.0053303800000000 ] - [ -0.0069558800000000, 0.0005042400000000, 0.0044795000000000 ] - [ -0.0069741800000000, -0.0002514500000000, 0.0049057700000000 ] - [ -0.0069366000000000, -0.0002588700000000, 0.0040655700000000 ] - [ -0.0087680100000000, 0.0018237500000000, 0.0025092500000000 ] - [ -0.0085409400000000, -0.0009023400000000, 0.0031669400000000 ] - [ -0.0089808000000000, -0.0009140400000000, 0.0018535600000000 ] - [ -0.0070030800000000, 0.0009525400000000, 0.0051166200000000 ] - [ -0.0069178700000000, -0.0006233200000000, 0.0067337400000000 ] - [ -0.0070798100000000, -0.0006409900000000, 0.0036003500000000 ]- atom: 64 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ 0.0007428400000000, 0.0019362600000000, -0.0016414800000000 ] - [ 0.0007428400000000, -0.0019362600000000, -0.0016414800000000 ] - [ -0.0002119500000000, 0.0000000000000000, -0.0003171000000000 ] - [ -0.0007611700000000, -0.0003224600000000, 0.0065108000000000 ] - [ -0.0007611700000000, 0.0003224600000000, 0.0065108000000000 ] - [ -0.0001803700000000, 0.0000000000000000, 0.0021747000000000 ] - [ 0.0002485500000000, -0.0002845900000000, 0.0061194700000000 ] - [ 0.0002485500000000, 0.0002845900000000, 0.0061194700000000 ] - [ -0.0001100900000000, 0.0000000000000000, 0.0028272000000000 ] - [ 0.0048768600000000, -0.0019633400000000, -0.0018542700000000 ] - [ 0.0048768600000000, 0.0019633400000000, -0.0018542700000000 ] - [ 0.0045809600000000, 0.0000000000000000, -0.0025363600000000 ] - [ 0.0102700300000000, -0.0056938900000000, -0.0053229900000000 ] - [ 0.0102700300000000, 0.0056938900000000, -0.0053229900000000 ] - [ 0.0099404100000000, 0.0000000000000000, -0.0046904900000000 ] - [ 0.0038241100000000, -0.0348544300000000, 0.0020304100000000 ] - [ 0.0038241100000000, 0.0348544300000000, 0.0020304100000000 ] - [ 0.0011070100000000, 0.0000000000000000, -0.0086687400000000 ] - [ -0.0004432500000000, 0.0000000000000000, 0.0059164700000000 ] - [ -0.0005712000000000, 0.0002457100000000, 0.0033977600000000 ] - [ -0.0005712000000000, -0.0002457100000000, 0.0033977600000000 ] - [ -0.0003032600000000, 0.0000000000000000, 0.0035046100000000 ] - [ 0.0013639100000000, 0.0005125900000000, 0.0014194900000000 ] - [ 0.0013639100000000, -0.0005125900000000, 0.0014194900000000 ] - [ 0.0028503700000000, 0.0000000000000000, 0.0504511900000000 ] - [ -0.0002727400000000, 0.0031792000000000, 0.0010939300000000 ] - [ -0.0002727400000000, -0.0031792000000000, 0.0010939300000000 ] - [ 0.0047402600000000, 0.0000000000000000, 0.0043670600000000 ] - [ 0.0026296500000000, 0.0006714800000000, 0.0015697400000000 ] - [ 0.0026296500000000, -0.0006714800000000, 0.0015697400000000 ] - [ 0.0010527000000000, 0.0000000000000000, 0.0042914600000000 ] - [ 0.0007484500000000, 0.0009340200000000, -0.0014857800000000 ] - [ 0.0007484500000000, -0.0009340200000000, -0.0014857800000000 ] - [ 0.0024296600000000, 0.0000000000000000, 0.0026851400000000 ] - [ 0.0023712800000000, -0.0000057600000000, 0.0018442200000000 ] - [ 0.0023712800000000, 0.0000057600000000, 0.0018442200000000 ] - [ 0.0001911300000000, 0.0000000000000000, 0.0102033000000000 ] - [ 0.0003992800000000, 0.0004290800000000, 0.0045992000000000 ] - [ 0.0003992800000000, -0.0004290800000000, 0.0045992000000000 ] - [ -0.0007043300000000, 0.0000000000000000, 0.0035668200000000 ] - [ -0.0008886000000000, -0.0010295100000000, -0.0019205900000000 ] - [ -0.0008886000000000, 0.0010295100000000, -0.0019205900000000 ] - [ 0.0046495800000000, 0.0000000000000000, 0.0041320100000000 ] - [ 0.0030979200000000, -0.0007631100000000, 0.0019377800000000 ] - [ 0.0030979200000000, 0.0007631100000000, 0.0019377800000000 ] - [ -0.0001482900000000, 0.0000000000000000, 0.0102464900000000 ] - [ -0.0004506900000000, -0.0004213500000000, 0.0045485200000000 ] - [ -0.0004506900000000, 0.0004213500000000, 0.0045485200000000 ] - [ 0.0027912500000000, 0.0000000000000000, 0.0031006700000000 ] - [ 0.0027216800000000, 0.0000078400000000, 0.0023693200000000 ] - [ 0.0027216800000000, -0.0000078400000000, 0.0023693200000000 ] - [ 0.0000622500000000, 0.0000000000000000, 0.0057210600000000 ] - [ 0.0001240800000000, -0.0002408900000000, 0.0032476600000000 ] - [ 0.0001240800000000, 0.0002408900000000, 0.0032476600000000 ] - [ 0.0317685500000000, 0.0000000000000000, 0.0135830700000000 ] - [ 0.0048135100000000, -0.0020191100000000, -0.0020226900000000 ] - [ 0.0048135100000000, 0.0020191100000000, -0.0020226900000000 ] - [ 0.0008796700000000, 0.0000000000000000, 0.0477847700000000 ] - [ -0.0003447700000000, -0.0033274100000000, 0.0009667500000000 ] - [ -0.0003447700000000, 0.0033274100000000, 0.0009667500000000 ] - [ -0.0289050900000000, 0.0000000000000000, 0.0118693800000000 ] - [ -0.0009635500000000, 0.0018137300000000, -0.0016368600000000 ] - [ -0.0009635500000000, -0.0018137300000000, -0.0016368600000000 ] - [ 0.0003141700000000, 0.0000000000000000, -0.3121151000000000 ] - [ 0.0005267900000000, 0.0000075800000000, -0.0170821300000000 ] - [ 0.0005267900000000, -0.0000075800000000, -0.0170821300000000 ] - [ -0.0250895000000000, 0.0000000000000000, 0.0037653100000000 ] - [ 0.0005050400000000, -0.0019424200000000, -0.0021371900000000 ] - [ 0.0005050400000000, 0.0019424200000000, -0.0021371900000000 ] - [ 0.0005211400000000, 0.0000000000000000, -0.0251877900000000 ] - [ 0.0000109200000000, 0.0000512500000000, -0.0120422500000000 ] - [ 0.0000109200000000, -0.0000512500000000, -0.0120422500000000 ] - [ 0.0004500800000000, 0.0000000000000000, 0.0039783600000000 ] - [ 0.0019629100000000, -0.0006545400000000, 0.0015557600000000 ] - [ 0.0019629100000000, 0.0006545400000000, 0.0015557600000000 ] - [ 0.0305707200000000, 0.0000000000000000, 0.0039483100000000 ] - [ 0.0047816400000000, 0.0020244400000000, -0.0016049300000000 ] - [ 0.0047816400000000, -0.0020244400000000, -0.0016049300000000 ] - [ 0.0055425200000000, -0.0000381200000000, -0.0012595300000000 ] - [ 0.0055425200000000, 0.0000381200000000, -0.0012595300000000 ] - [ 0.0055405300000000, 0.0000000000000000, -0.0016081800000000 ] - [ 0.0045910400000000, 0.0017657800000000, -0.0014863200000000 ] - [ 0.0045910400000000, -0.0017657800000000, -0.0014863200000000 ] - [ 0.0046701200000000, 0.0000000000000000, -0.0023539700000000 ] - [ 0.0046438600000000, -0.0040208100000000, 0.0008044400000000 ] - [ 0.0046438600000000, 0.0040208100000000, 0.0008044400000000 ] - [ 0.0047247700000000, 0.0000000000000000, -0.0006418400000000 ] - [ 0.0064927000000000, 0.0052296700000000, -0.0029324600000000 ] - [ 0.0064927000000000, -0.0052296700000000, -0.0029324600000000 ] - [ 0.0067670600000000, 0.0000000000000000, -0.0022969400000000 ] - [ 0.0047095000000000, -0.0000399500000000, -0.0017717500000000 ] - [ 0.0047095000000000, 0.0000399500000000, -0.0017717500000000 ] - [ 0.0047124100000000, 0.0000000000000000, -0.0021849100000000 ] - [ 0.0053332200000000, 0.0036878000000000, -0.0006596800000000 ] - [ 0.0053332200000000, -0.0036878000000000, -0.0006596800000000 ] - [ 0.0053537100000000, 0.0000000000000000, -0.0022273900000000 ] - [ 0.0055954500000000, 0.0330864700000000, 0.0139591300000000 ] - [ 0.0055954500000000, -0.0330864700000000, 0.0139591300000000 ] - [ 0.0075171300000000, 0.0000000000000000, 0.0027902700000000 ] - [ -0.0029591600000000, 0.0041737800000000, -0.0028031200000000 ] - [ -0.0029591600000000, -0.0041737800000000, -0.0028031200000000 ] - [ -0.0004344100000000, 0.0000000000000000, -0.0003050200000000 ] - [ 0.0000729700000000, 0.0006019600000000, -0.0028203100000000 ] - [ 0.0000729700000000, -0.0006019600000000, -0.0028203100000000 ] - [ -0.0000859400000000, 0.0000000000000000, -0.0020982100000000 ] - [ -0.0007122000000000, -0.0005904500000000, -0.0031793200000000 ] - [ -0.0007122000000000, 0.0005904500000000, -0.0031793200000000 ] - [ -0.0005660500000000, 0.0000000000000000, -0.0024884300000000 ] - [ -0.0004202200000000, 0.0006971200000000, -0.0031337900000000 ] - [ -0.0004202200000000, -0.0006971200000000, -0.0031337900000000 ] - [ -0.0002653700000000, 0.0000000000000000, -0.0023265500000000 ] - [ -0.0003067300000000, -0.0006421100000000, -0.0030850600000000 ] - [ -0.0003067300000000, 0.0006421100000000, -0.0030850600000000 ] - [ -0.0004352500000000, 0.0000000000000000, -0.0023435500000000 ] - [ -0.0026900100000000, -0.0040630700000000, -0.0030961400000000 ] - [ -0.0026900100000000, 0.0040630700000000, -0.0030961400000000 ] - [ -0.0005152500000000, 0.0000000000000000, -0.0003670500000000 ] - [ 0.0025147700000000, -0.0041423300000000, -0.0030818000000000 ] - [ 0.0025147700000000, 0.0041423300000000, -0.0030818000000000 ] - [ 0.0001022400000000, 0.0000000000000000, -0.0005195000000000 ] - [ -0.0289379300000000, 0.0000000000000000, 0.0608746800000000 ] - [ -0.0106089300000000, 0.0196426500000000, 0.0081780600000000 ] - [ -0.0106089300000000, -0.0196426500000000, 0.0081780600000000 ] - [ -0.0085357000000000, 0.0000000000000000, 0.0217656500000000 ] - [ -0.0119306500000000, -0.0044936800000000, 0.0132717600000000 ] - [ -0.0119306500000000, 0.0044936800000000, 0.0132717600000000 ] - [ 0.0093930100000000, 0.0000000000000000, 0.0773604800000000 ] - [ -0.0019930300000000, -0.0209604300000000, 0.0195633000000000 ] - [ -0.0019930300000000, 0.0209604300000000, 0.0195633000000000 ] - [ -0.0067411900000000, 0.0000000000000000, -0.0036993300000000 ] - [ -0.0062552200000000, -0.0016741200000000, 0.0014229600000000 ] - [ -0.0062552200000000, 0.0016741200000000, 0.0014229600000000 ] - [ -0.0066671100000000, 0.0000000000000000, -0.0058005000000000 ] - [ -0.0065814100000000, -0.0000207100000000, -0.0016547200000000 ] - [ -0.0065814100000000, 0.0000207100000000, -0.0016547200000000 ] - [ -0.0077563500000000, 0.0000000000000000, -0.0042755000000000 ] - [ -0.0076736100000000, -0.0000227100000000, -0.0016141800000000 ] - [ -0.0076736100000000, 0.0000227100000000, -0.0016141800000000 ] - [ -0.0051565100000000, 0.0000000000000000, -0.0191929000000000 ] - [ -0.0063070800000000, -0.0029400500000000, -0.0026388000000000 ] - [ -0.0063070800000000, 0.0029400500000000, -0.0026388000000000 ] - [ -0.0069131000000000, 0.0000000000000000, -0.0044709900000000 ] - [ -0.0070759000000000, 0.0016366300000000, 0.0005888000000000 ] - [ -0.0070759000000000, -0.0016366300000000, 0.0005888000000000 ] - [ -0.0109554100000000, 0.0000000000000000, 0.0159507000000000 ] - [ -0.0084157800000000, 0.0038520700000000, 0.0096715300000000 ] - [ -0.0084157800000000, -0.0038520700000000, 0.0096715300000000 ] - [ -0.0079788200000000, 0.0000000000000000, -0.0159211200000000 ] - [ -0.0071530100000000, 0.0027338800000000, -0.0008135200000000 ] - [ -0.0071530100000000, -0.0027338800000000, -0.0008135200000000 ]- atom: 64 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0018074800000000, -0.0019296100000000, 0.0015223500000000 ] - [ -0.0018074800000000, 0.0019296100000000, 0.0015223500000000 ] - [ -0.0008570000000000, 0.0000000000000000, 0.0001933700000000 ] - [ 0.0003890700000000, 0.0001962800000000, -0.0064156900000000 ] - [ 0.0003890700000000, -0.0001962800000000, -0.0064156900000000 ] - [ -0.0000860000000000, 0.0000000000000000, -0.0020606500000000 ] - [ -0.0004777800000000, 0.0002252200000000, -0.0055065500000000 ] - [ -0.0004777800000000, -0.0002252200000000, -0.0055065500000000 ] - [ -0.0002001500000000, 0.0000000000000000, -0.0022076600000000 ] - [ 0.0040982700000000, 0.0019525900000000, -0.0055496700000000 ] - [ 0.0040982700000000, -0.0019525900000000, -0.0055496700000000 ] - [ 0.0043938900000000, 0.0000000000000000, -0.0048676300000000 ] - [ 0.0090084500000000, 0.0057039100000000, -0.0015876000000000 ] - [ 0.0090084500000000, -0.0057039100000000, -0.0015876000000000 ] - [ 0.0093348500000000, 0.0000000000000000, -0.0022072800000000 ] - [ -0.0010633000000000, 0.0345918800000000, -0.0165551000000000 ] - [ -0.0010633000000000, -0.0345918800000000, -0.0165551000000000 ] - [ 0.0016504800000000, 0.0000000000000000, -0.0057730900000000 ] - [ -0.0008471400000000, 0.0000000000000000, -0.0085197400000000 ] - [ -0.0007215300000000, -0.0002439200000000, -0.0060054000000000 ] - [ -0.0007215300000000, 0.0002439200000000, -0.0060054000000000 ] - [ 0.0042226300000000, 0.0000000000000000, -0.0029862600000000 ] - [ 0.0025726000000000, -0.0005096300000000, -0.0009102500000000 ] - [ 0.0025726000000000, 0.0005096300000000, -0.0009102500000000 ] - [ -0.0034519000000000, 0.0000000000000000, -0.0537151800000000 ] - [ -0.0003659600000000, -0.0031741400000000, -0.0050697800000000 ] - [ -0.0003659600000000, 0.0031741400000000, -0.0050697800000000 ] - [ -0.0008155700000000, 0.0000000000000000, -0.0042471800000000 ] - [ 0.0012695700000000, -0.0006678400000000, -0.0014640200000000 ] - [ 0.0012695700000000, 0.0006678400000000, -0.0014640200000000 ] - [ -0.0011475000000000, 0.0000000000000000, -0.0069811100000000 ] - [ -0.0008456000000000, -0.0009332200000000, -0.0011994800000000 ] - [ -0.0008456000000000, 0.0009332200000000, -0.0011994800000000 ] - [ 0.0021245700000000, 0.0000000000000000, -0.0028694300000000 ] - [ 0.0021858900000000, 0.0000074000000000, -0.0020275900000000 ] - [ 0.0021858900000000, -0.0000074000000000, -0.0020275900000000 ] - [ 0.0004907500000000, 0.0000000000000000, -0.0126362100000000 ] - [ 0.0002881200000000, -0.0004248800000000, -0.0070673400000000 ] - [ 0.0002881200000000, 0.0004248800000000, -0.0070673400000000 ] - [ -0.0002970700000000, 0.0000000000000000, -0.0074428200000000 ] - [ -0.0001199500000000, 0.0010306600000000, -0.0019450700000000 ] - [ -0.0001199500000000, -0.0010306600000000, -0.0019450700000000 ] - [ 0.0002932900000000, 0.0000000000000000, -0.0030593800000000 ] - [ 0.0018641200000000, 0.0007655900000000, -0.0008522100000000 ] - [ 0.0018641200000000, -0.0007655900000000, -0.0008522100000000 ] - [ -0.0008134400000000, 0.0000000000000000, -0.0125940500000000 ] - [ -0.0005044900000000, 0.0004251900000000, -0.0068586600000000 ] - [ -0.0005044900000000, -0.0004251900000000, -0.0068586600000000 ] - [ 0.0024284500000000, 0.0000000000000000, -0.0022168400000000 ] - [ 0.0024919800000000, -0.0000059200000000, -0.0014847900000000 ] - [ 0.0024919800000000, 0.0000059200000000, -0.0014847900000000 ] - [ 0.0002044400000000, 0.0000000000000000, -0.0087416000000000 ] - [ 0.0001404300000000, 0.0002427900000000, -0.0062603500000000 ] - [ 0.0001404300000000, -0.0002427900000000, -0.0062603500000000 ] - [ -0.0261405500000000, 0.0000000000000000, -0.0143164800000000 ] - [ 0.0010614800000000, 0.0020116000000000, 0.0013343100000000 ] - [ 0.0010614800000000, -0.0020116000000000, 0.0013343100000000 ] - [ -0.0014796600000000, 0.0000000000000000, -0.0512666700000000 ] - [ -0.0002201300000000, 0.0033297200000000, -0.0037768300000000 ] - [ -0.0002201300000000, -0.0033297200000000, -0.0037768300000000 ] - [ 0.0314272400000000, 0.0000000000000000, -0.0121923100000000 ] - [ 0.0037914700000000, -0.0018206700000000, 0.0012618400000000 ] - [ 0.0037914700000000, 0.0018206700000000, 0.0012618400000000 ] - [ -0.0029673800000000, 0.0000000000000000, 0.3113456700000000 ] - [ 0.0003011200000000, -0.0000258700000000, 0.0161667400000000 ] - [ 0.0003011200000000, 0.0000258700000000, 0.0161667400000000 ] - [ 0.0300528200000000, 0.0000000000000000, -0.0039142100000000 ] - [ 0.0041940500000000, 0.0019357700000000, 0.0018185600000000 ] - [ 0.0041940500000000, -0.0019357700000000, 0.0018185600000000 ] - [ -0.0006964100000000, 0.0000000000000000, 0.0210150600000000 ] - [ -0.0002541600000000, -0.0000626300000000, 0.0079108500000000 ] - [ -0.0002541600000000, 0.0000626300000000, 0.0079108500000000 ] - [ 0.0044389100000000, 0.0000000000000000, -0.0036148800000000 ] - [ 0.0029026000000000, 0.0006578700000000, -0.0011783300000000 ] - [ 0.0029026000000000, -0.0006578700000000, -0.0011783300000000 ] - [ -0.0255317200000000, 0.0000000000000000, -0.0036194000000000 ] - [ 0.0000519500000000, -0.0020303400000000, 0.0021142800000000 ] - [ 0.0000519500000000, 0.0020303400000000, 0.0021142800000000 ] - [ 0.0055124100000000, 0.0000323800000000, -0.0056751900000000 ] - [ 0.0055124100000000, -0.0000323800000000, -0.0056751900000000 ] - [ 0.0055140300000000, 0.0000000000000000, -0.0053263300000000 ] - [ 0.0047099300000000, -0.0017745700000000, -0.0053208900000000 ] - [ 0.0047099300000000, 0.0017745700000000, -0.0053208900000000 ] - [ 0.0046300000000000, 0.0000000000000000, -0.0044532600000000 ] - [ 0.0052503100000000, 0.0039844800000000, -0.0059564100000000 ] - [ 0.0052503100000000, -0.0039844800000000, -0.0059564100000000 ] - [ 0.0051692100000000, 0.0000000000000000, -0.0045202100000000 ] - [ 0.0073624200000000, -0.0052299100000000, 0.0016105500000000 ] - [ 0.0073624200000000, 0.0052299100000000, 0.0016105500000000 ] - [ 0.0070800100000000, 0.0000000000000000, 0.0009606400000000 ] - [ 0.0047295700000000, 0.0000315000000000, -0.0068961400000000 ] - [ 0.0047295700000000, -0.0000315000000000, -0.0068961400000000 ] - [ 0.0047268000000000, 0.0000000000000000, -0.0064831500000000 ] - [ 0.0050698500000000, -0.0037205000000000, -0.0073457300000000 ] - [ 0.0050698500000000, 0.0037205000000000, -0.0073457300000000 ] - [ 0.0050496000000000, 0.0000000000000000, -0.0057675500000000 ] - [ 0.0081527200000000, -0.0333053900000000, -0.0051219400000000 ] - [ 0.0081527200000000, 0.0333053900000000, -0.0051219400000000 ] - [ 0.0062355500000000, 0.0000000000000000, 0.0059538200000000 ] - [ 0.0038066700000000, -0.0041575100000000, 0.0030416900000000 ] - [ 0.0038066700000000, 0.0041575100000000, 0.0030416900000000 ] - [ 0.0012939200000000, 0.0000000000000000, 0.0005335500000000 ] - [ -0.0006744400000000, -0.0005980500000000, 0.0029974500000000 ] - [ -0.0006744400000000, 0.0005980500000000, 0.0029974500000000 ] - [ -0.0005168500000000, 0.0000000000000000, 0.0022786400000000 ] - [ -0.0000754900000000, 0.0005952300000000, 0.0028407100000000 ] - [ -0.0000754900000000, -0.0005952300000000, 0.0028407100000000 ] - [ -0.0002240800000000, 0.0000000000000000, 0.0021476100000000 ] - [ 0.0003454500000000, -0.0006905700000000, 0.0032299600000000 ] - [ 0.0003454500000000, 0.0006905700000000, 0.0032299600000000 ] - [ 0.0001928000000000, 0.0000000000000000, 0.0024256700000000 ] - [ -0.0008587400000000, 0.0006478400000000, 0.0031645700000000 ] - [ -0.0008587400000000, -0.0006478400000000, 0.0031645700000000 ] - [ -0.0007288400000000, 0.0000000000000000, 0.0024188100000000 ] - [ 0.0028811300000000, 0.0040756700000000, 0.0031254900000000 ] - [ 0.0028811300000000, -0.0040756700000000, 0.0031254900000000 ] - [ 0.0006979300000000, 0.0000000000000000, 0.0004114100000000 ] - [ -0.0037412900000000, 0.0041601300000000, 0.0027378600000000 ] - [ -0.0037412900000000, -0.0041601300000000, 0.0027378600000000 ] - [ -0.0013179600000000, 0.0000000000000000, 0.0001842100000000 ] - [ 0.0119550500000000, 0.0000000000000000, -0.0760114100000000 ] - [ -0.0082587900000000, -0.0196285100000000, -0.0148467900000000 ] - [ -0.0082587900000000, 0.0196285100000000, -0.0148467900000000 ] - [ -0.0138477700000000, 0.0000000000000000, -0.0112301500000000 ] - [ -0.0104407600000000, 0.0045144500000000, -0.0028572700000000 ] - [ -0.0104407600000000, -0.0045144500000000, -0.0028572700000000 ] - [ -0.0146576000000000, 0.0000000000000000, -0.0520214100000000 ] - [ -0.0049229800000000, 0.0209531300000000, -0.0025159000000000 ] - [ -0.0049229800000000, -0.0209531300000000, -0.0025159000000000 ] - [ -0.0052016300000000, 0.0000000000000000, 0.0135489000000000 ] - [ -0.0056791700000000, 0.0016642300000000, 0.0084307300000000 ] - [ -0.0056791700000000, -0.0016642300000000, 0.0084307300000000 ] - [ -0.0061215600000000, 0.0000000000000000, 0.0173340000000000 ] - [ -0.0062082700000000, 0.0000129800000000, 0.0131822800000000 ] - [ -0.0062082700000000, -0.0000129800000000, 0.0131822800000000 ] - [ -0.0072883400000000, 0.0000000000000000, 0.0138220000000000 ] - [ -0.0073716600000000, 0.0000200600000000, 0.0111626900000000 ] - [ -0.0073716600000000, -0.0000200600000000, 0.0111626900000000 ] - [ -0.0083537800000000, 0.0000000000000000, 0.0263578500000000 ] - [ -0.0072067900000000, 0.0029189200000000, 0.0099310800000000 ] - [ -0.0072067900000000, -0.0029189200000000, 0.0099310800000000 ] - [ -0.0070029700000000, 0.0000000000000000, 0.0134248800000000 ] - [ -0.0068352200000000, -0.0016442700000000, 0.0083512500000000 ] - [ -0.0068352200000000, 0.0016442700000000, 0.0083512500000000 ] - [ -0.0066307500000000, 0.0000000000000000, -0.0110097400000000 ] - [ -0.0091132400000000, -0.0038392400000000, -0.0046920500000000 ] - [ -0.0091132400000000, 0.0038392400000000, -0.0046920500000000 ] - [ -0.0060177600000000, 0.0000000000000000, 0.0263274200000000 ] - [ -0.0068473500000000, -0.0027551900000000, 0.0111026300000000 ] - [ -0.0068473500000000, 0.0027551900000000, 0.0111026300000000 ]- atom: 67 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0007924000000000, 0.0000110200000000, -0.0000651500000000 ] - [ -0.0007924000000000, -0.0000110200000000, -0.0000651500000000 ] - [ -0.0006669600000000, 0.0000000000000000, -0.0000667700000000 ] - [ -0.0029120700000000, -0.0003884900000000, 0.0002516200000000 ] - [ -0.0029120700000000, 0.0003884900000000, 0.0002516200000000 ] - [ -0.0006792900000000, 0.0000000000000000, 0.0000113600000000 ] - [ 0.0034321000000000, 0.0016061000000000, -0.0011252800000000 ] - [ 0.0034321000000000, -0.0016061000000000, -0.0011252800000000 ] - [ 0.0003036400000000, 0.0000000000000000, 0.0003644400000000 ] - [ 0.0044536500000000, -0.0000994500000000, -0.0035809700000000 ] - [ 0.0044536500000000, 0.0000994500000000, -0.0035809700000000 ] - [ 0.0044672300000000, 0.0000000000000000, -0.0036165100000000 ] - [ 0.0093685600000000, -0.0016124900000000, -0.0023488000000000 ] - [ 0.0093685600000000, 0.0016124900000000, -0.0023488000000000 ] - [ 0.0094408100000000, 0.0000000000000000, -0.0030631600000000 ] - [ 0.0011140600000000, 0.0018622700000000, -0.0084903200000000 ] - [ 0.0011140600000000, -0.0018622700000000, -0.0084903200000000 ] - [ 0.0012978900000000, 0.0000000000000000, -0.0076451800000000 ] - [ -0.0007336600000000, 0.0000000000000000, -0.0013261100000000 ] - [ -0.0006657800000000, 0.0000158300000000, -0.0013111500000000 ] - [ -0.0006657800000000, -0.0000158300000000, -0.0013111500000000 ] - [ 0.0024353400000000, 0.0000000000000000, 0.0002837300000000 ] - [ 0.0021912500000000, -0.0000012600000000, 0.0002628000000000 ] - [ 0.0021912500000000, 0.0000012600000000, 0.0002628000000000 ] - [ -0.0005677800000000, 0.0000000000000000, -0.0048226000000000 ] - [ -0.0003962700000000, -0.0001947200000000, -0.0026602600000000 ] - [ -0.0003962700000000, 0.0001947200000000, -0.0026602600000000 ] - [ 0.0015430500000000, 0.0000000000000000, -0.0000017200000000 ] - [ 0.0017476100000000, -0.0000038100000000, 0.0000463300000000 ] - [ 0.0017476100000000, 0.0000038100000000, 0.0000463300000000 ] - [ -0.0002700000000000, 0.0000000000000000, 0.0009785700000000 ] - [ -0.0001786400000000, 0.0001514400000000, -0.0006630200000000 ] - [ -0.0001786400000000, -0.0001514400000000, -0.0006630200000000 ] - [ 0.0025533800000000, 0.0000000000000000, -0.0000545800000000 ] - [ 0.0024551500000000, -0.0000037900000000, -0.0001016500000000 ] - [ 0.0024551500000000, 0.0000037900000000, -0.0001016500000000 ] - [ 0.0004308600000000, 0.0000000000000000, -0.0012844700000000 ] - [ 0.0003751600000000, -0.0000249800000000, -0.0012638600000000 ] - [ 0.0003751600000000, 0.0000249800000000, -0.0012638600000000 ] - [ 0.0111793400000000, 0.0000000000000000, -0.0241124100000000 ] - [ -0.0006844300000000, 0.0010355200000000, -0.0039034100000000 ] - [ -0.0006844300000000, -0.0010355200000000, -0.0039034100000000 ] - [ 0.0077954600000000, 0.0000000000000000, 0.0007744300000000 ] - [ 0.0033282000000000, -0.0000693900000000, 0.0005680900000000 ] - [ 0.0033282000000000, 0.0000693900000000, 0.0005680900000000 ] - [ -0.0002021700000000, 0.0000000000000000, 0.0006357900000000 ] - [ -0.0004529300000000, -0.0001597800000000, -0.0006733500000000 ] - [ -0.0004529300000000, 0.0001597800000000, -0.0006733500000000 ] - [ 0.0023559100000000, 0.0000000000000000, 0.0004607200000000 ] - [ 0.0024405400000000, -0.0000128900000000, 0.0004325000000000 ] - [ 0.0024405400000000, 0.0000128900000000, 0.0004325000000000 ] - [ -0.0000339500000000, 0.0000000000000000, -0.0032874400000000 ] - [ 0.0000962500000000, 0.0001141200000000, -0.0020923500000000 ] - [ 0.0000962500000000, -0.0001141200000000, -0.0020923500000000 ] - [ 0.0873919400000000, 0.0000000000000000, 0.0037223200000000 ] - [ 0.0101383200000000, -0.0002494400000000, -0.0003525100000000 ] - [ 0.0101383200000000, 0.0002494400000000, -0.0003525100000000 ] - [ 0.0083115600000000, 0.0000000000000000, 0.0268546300000000 ] - [ -0.0004626000000000, -0.0011848500000000, 0.0005627900000000 ] - [ -0.0004626000000000, 0.0011848500000000, 0.0005627900000000 ] - [ 0.0080281900000000, 0.0000000000000000, -0.0000716100000000 ] - [ 0.0025582200000000, -0.0000067200000000, -0.0001601800000000 ] - [ 0.0025582200000000, 0.0000067200000000, -0.0001601800000000 ] - [ 0.0110853600000000, 0.0000000000000000, -0.0279147600000000 ] - [ 0.0006307200000000, -0.0011271300000000, -0.0023019300000000 ] - [ 0.0006307200000000, 0.0011271300000000, -0.0023019300000000 ] - [ -0.2510866500000000, 0.0000000000000000, -0.0105084200000000 ] - [ -0.0031180400000000, -0.0002864700000000, -0.0001637000000000 ] - [ -0.0031180400000000, 0.0002864700000000, -0.0001637000000000 ] - [ 0.0129554500000000, 0.0000000000000000, 0.0187262400000000 ] - [ -0.0000235500000000, 0.0009388100000000, -0.0002822600000000 ] - [ -0.0000235500000000, -0.0009388100000000, -0.0002822600000000 ] - [ -0.0021646800000000, 0.0000000000000000, 0.0007264800000000 ] - [ 0.0014966900000000, 0.0001331700000000, 0.0000306300000000 ] - [ 0.0014966900000000, -0.0001331700000000, 0.0000306300000000 ] - [ -0.0024893800000000, 0.0000000000000000, 0.0006293800000000 ] - [ 0.0012622900000000, 0.0000496300000000, 0.0003241000000000 ] - [ 0.0012622900000000, -0.0000496300000000, 0.0003241000000000 ] - [ 0.0055100100000000, -0.0000580400000000, -0.0035670400000000 ] - [ 0.0055100100000000, 0.0000580400000000, -0.0035670400000000 ] - [ 0.0055150100000000, 0.0000000000000000, -0.0035584300000000 ] - [ 0.0047375300000000, -0.0011623000000000, -0.0044323600000000 ] - [ 0.0047375300000000, 0.0011623000000000, -0.0044323600000000 ] - [ 0.0046455300000000, 0.0000000000000000, -0.0038290700000000 ] - [ 0.0049607300000000, 0.0001319600000000, -0.0027192000000000 ] - [ 0.0049607300000000, -0.0001319600000000, -0.0027192000000000 ] - [ 0.0049607400000000, 0.0000000000000000, -0.0026815400000000 ] - [ 0.0206845400000000, -0.0234203800000000, -0.0032586600000000 ] - [ 0.0206845400000000, 0.0234203800000000, -0.0032586600000000 ] - [ 0.0069848000000000, 0.0000000000000000, -0.0008282900000000 ] - [ 0.0047267600000000, 0.0000988100000000, -0.0042402200000000 ] - [ 0.0047267600000000, -0.0000988100000000, -0.0042402200000000 ] - [ 0.0047270200000000, 0.0000000000000000, -0.0042627100000000 ] - [ 0.0052408300000000, 0.0015369800000000, -0.0028776000000000 ] - [ 0.0052408300000000, -0.0015369800000000, -0.0028776000000000 ] - [ 0.0052800500000000, 0.0000000000000000, -0.0035894400000000 ] - [ 0.0174025500000000, 0.0297025500000000, 0.0070055000000000 ] - [ 0.0174025500000000, -0.0297025500000000, 0.0070055000000000 ] - [ 0.0076436400000000, 0.0000000000000000, 0.0048197300000000 ] - [ 0.0011211800000000, -0.0000190400000000, 0.0000721700000000 ] - [ 0.0011211800000000, 0.0000190400000000, 0.0000721700000000 ] - [ 0.0007855700000000, 0.0000000000000000, 0.0000947300000000 ] - [ -0.0004381000000000, -0.0000058500000000, 0.0000827800000000 ] - [ -0.0004381000000000, 0.0000058500000000, 0.0000827800000000 ] - [ -0.0004104000000000, 0.0000000000000000, 0.0000908900000000 ] - [ -0.0008620100000000, -0.0000075100000000, -0.0001554600000000 ] - [ -0.0008620100000000, 0.0000075100000000, -0.0001554600000000 ] - [ -0.0006775300000000, 0.0000000000000000, -0.0001452400000000 ] - [ 0.0000936800000000, -0.0000157100000000, 0.0000586200000000 ] - [ 0.0000936800000000, 0.0000157100000000, 0.0000586200000000 ] - [ 0.0000663700000000, 0.0000000000000000, 0.0000580600000000 ] - [ -0.0001198600000000, -0.0000979800000000, 0.0000168800000000 ] - [ -0.0001198600000000, 0.0000979800000000, 0.0000168800000000 ] - [ -0.0003125100000000, 0.0000000000000000, 0.0000744200000000 ] - [ -0.0050030000000000, -0.0007372600000000, -0.0005494900000000 ] - [ -0.0050030000000000, 0.0007372600000000, -0.0005494900000000 ] - [ -0.0008369200000000, 0.0000000000000000, 0.0000927100000000 ] - [ 0.0069051600000000, 0.0020188200000000, 0.0023782600000000 ] - [ 0.0069051600000000, -0.0020188200000000, 0.0023782600000000 ] - [ 0.0005438200000000, 0.0000000000000000, -0.0002537400000000 ] - [ 0.0877743800000000, 0.0000000000000000, -0.0043726700000000 ] - [ -0.0095305000000000, 0.0160265900000000, -0.0035896100000000 ] - [ -0.0095305000000000, -0.0160265900000000, -0.0035896100000000 ] - [ -0.0110050800000000, 0.0000000000000000, -0.0097179600000000 ] - [ -0.0111272900000000, -0.0012631300000000, 0.0034344400000000 ] - [ -0.0111272900000000, 0.0012631300000000, 0.0034344400000000 ] - [ -0.0005856700000000, 0.0000000000000000, 0.0255252600000000 ] - [ -0.0031571400000000, 0.0013987800000000, 0.0102719900000000 ] - [ -0.0031571400000000, -0.0013987800000000, 0.0102719900000000 ] - [ -0.0060271700000000, 0.0000000000000000, 0.0041041600000000 ] - [ -0.0060401200000000, -0.0000570900000000, 0.0045912200000000 ] - [ -0.0060401200000000, 0.0000570900000000, 0.0045912200000000 ] - [ -0.0064230900000000, 0.0000000000000000, 0.0052204300000000 ] - [ -0.0063964000000000, 0.0000599200000000, 0.0055436400000000 ] - [ -0.0063964000000000, -0.0000599200000000, 0.0055436400000000 ] - [ -0.0075120000000000, 0.0000000000000000, 0.0052559300000000 ] - [ -0.0075379300000000, -0.0000227400000000, 0.0050671200000000 ] - [ -0.0075379300000000, 0.0000227400000000, 0.0050671200000000 ] - [ -0.0068974300000000, 0.0000000000000000, 0.0045953400000000 ] - [ -0.0067955200000000, 0.0000800500000000, 0.0039994500000000 ] - [ -0.0067955200000000, -0.0000800500000000, 0.0039994500000000 ] - [ -0.0074850100000000, 0.0000000000000000, 0.0152379400000000 ] - [ -0.0071766000000000, -0.0006945300000000, 0.0059394100000000 ] - [ -0.0071766000000000, 0.0006945300000000, 0.0059394100000000 ] - [ -0.0419147200000000, 0.0000000000000000, 0.0077684200000000 ] - [ -0.0098868500000000, -0.0124263400000000, 0.0028215000000000 ] - [ -0.0098868500000000, 0.0124263400000000, 0.0028215000000000 ] - [ -0.0073137800000000, 0.0000000000000000, -0.0074537900000000 ] - [ -0.0068169900000000, 0.0008992500000000, 0.0038492000000000 ] - [ -0.0068169900000000, -0.0008992500000000, 0.0038492000000000 ]- atom: 67 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0002802400000000, -0.0000097800000000, -0.0000655900000000 ] - [ -0.0002802400000000, 0.0000097800000000, -0.0000655900000000 ] - [ -0.0004048000000000, 0.0000000000000000, -0.0000646000000000 ] - [ 0.0026270800000000, 0.0004008200000000, -0.0001472300000000 ] - [ 0.0026270800000000, -0.0004008200000000, -0.0001472300000000 ] - [ 0.0004089300000000, 0.0000000000000000, 0.0001010100000000 ] - [ -0.0036753000000000, -0.0017285700000000, 0.0018416000000000 ] - [ -0.0036753000000000, 0.0017285700000000, 0.0018416000000000 ] - [ -0.0006099200000000, 0.0000000000000000, 0.0002543300000000 ] - [ 0.0045200200000000, 0.0000955500000000, -0.0038182500000000 ] - [ 0.0045200200000000, -0.0000955500000000, -0.0038182500000000 ] - [ 0.0045070700000000, 0.0000000000000000, -0.0037828300000000 ] - [ 0.0098905200000000, 0.0015969300000000, -0.0045354100000000 ] - [ 0.0098905200000000, -0.0015969300000000, -0.0045354100000000 ] - [ 0.0098285800000000, 0.0000000000000000, -0.0038219500000000 ] - [ 0.0016522700000000, -0.0018556600000000, -0.0059500000000000 ] - [ 0.0016522700000000, 0.0018556600000000, -0.0059500000000000 ] - [ 0.0014611300000000, 0.0000000000000000, -0.0067880600000000 ] - [ -0.0005598000000000, 0.0000000000000000, -0.0012788800000000 ] - [ -0.0006283000000000, -0.0000151900000000, -0.0012922500000000 ] - [ -0.0006283000000000, 0.0000151900000000, -0.0012922500000000 ] - [ 0.0015118200000000, 0.0000000000000000, 0.0002293100000000 ] - [ 0.0017489000000000, 0.0000015900000000, 0.0002497500000000 ] - [ 0.0017489000000000, -0.0000015900000000, 0.0002497500000000 ] - [ -0.0000606800000000, 0.0000000000000000, 0.0008617400000000 ] - [ -0.0002416300000000, 0.0001939100000000, -0.0013034800000000 ] - [ -0.0002416300000000, -0.0001939100000000, -0.0013034800000000 ] - [ 0.0023472800000000, 0.0000000000000000, 0.0001113700000000 ] - [ 0.0021455200000000, 0.0000040600000000, 0.0000629400000000 ] - [ 0.0021455200000000, -0.0000040600000000, 0.0000629400000000 ] - [ 0.0001639100000000, 0.0000000000000000, -0.0036067300000000 ] - [ 0.0000769800000000, -0.0001502800000000, -0.0019867000000000 ] - [ 0.0000769800000000, 0.0001502800000000, -0.0019867000000000 ] - [ 0.0020072000000000, 0.0000000000000000, -0.0001308500000000 ] - [ 0.0021046700000000, 0.0000042100000000, -0.0000824600000000 ] - [ 0.0021046700000000, -0.0000042100000000, -0.0000824600000000 ] - [ 0.0002572500000000, 0.0000000000000000, -0.0011819600000000 ] - [ 0.0003123100000000, 0.0000250900000000, -0.0012028700000000 ] - [ 0.0003123100000000, -0.0000250900000000, -0.0012028700000000 ] - [ -0.0122332100000000, 0.0000000000000000, 0.0198013600000000 ] - [ -0.0003444300000000, -0.0010336600000000, -0.0000215900000000 ] - [ -0.0003444300000000, 0.0010336600000000, -0.0000215900000000 ] - [ -0.0027777600000000, 0.0000000000000000, 0.0002895300000000 ] - [ 0.0016433600000000, 0.0000714900000000, 0.0005067300000000 ] - [ 0.0016433600000000, -0.0000714900000000, 0.0005067300000000 ] - [ -0.0007477000000000, 0.0000000000000000, -0.0029436800000000 ] - [ -0.0005009600000000, 0.0001589600000000, -0.0016339300000000 ] - [ -0.0005009600000000, -0.0001589600000000, -0.0016339300000000 ] - [ 0.0028546000000000, 0.0000000000000000, 0.0004219900000000 ] - [ 0.0027682300000000, 0.0000134900000000, 0.0004516900000000 ] - [ 0.0027682300000000, -0.0000134900000000, 0.0004516900000000 ] - [ 0.0002981700000000, 0.0000000000000000, 0.0002357500000000 ] - [ 0.0001655900000000, -0.0001122100000000, -0.0009331200000000 ] - [ 0.0001655900000000, 0.0001122100000000, -0.0009331200000000 ] - [ -0.0815758600000000, 0.0000000000000000, -0.0045572100000000 ] - [ -0.0041876800000000, 0.0002607500000000, -0.0003480100000000 ] - [ -0.0041876800000000, -0.0002607500000000, -0.0003480100000000 ] - [ -0.0086064700000000, 0.0000000000000000, -0.0297669600000000 ] - [ -0.0000904600000000, 0.0011708200000000, -0.0033873300000000 ] - [ -0.0000904600000000, -0.0011708200000000, -0.0033873300000000 ] - [ -0.0051418800000000, 0.0000000000000000, -0.0002821200000000 ] - [ 0.0002827700000000, 0.0000060300000000, -0.0002045800000000 ] - [ 0.0002827700000000, -0.0000060300000000, -0.0002045800000000 ] - [ -0.0101480200000000, 0.0000000000000000, 0.0272091700000000 ] - [ 0.0002130000000000, 0.0011166200000000, 0.0013863700000000 ] - [ 0.0002130000000000, -0.0011166200000000, 0.0013863700000000 ] - [ 0.2640865500000000, 0.0000000000000000, 0.0116284700000000 ] - [ 0.0077859300000000, 0.0002811500000000, -0.0001626100000000 ] - [ 0.0077859300000000, -0.0002811500000000, -0.0001626100000000 ] - [ -0.0131234700000000, 0.0000000000000000, -0.0224315500000000 ] - [ -0.0002326900000000, -0.0009334200000000, -0.0038121700000000 ] - [ -0.0002326900000000, 0.0009334200000000, -0.0038121700000000 ] - [ 0.0069935100000000, 0.0000000000000000, -0.0003561200000000 ] - [ 0.0033583700000000, -0.0001461800000000, 0.0003521500000000 ] - [ 0.0033583700000000, 0.0001461800000000, 0.0003521500000000 ] - [ 0.0073005800000000, 0.0000000000000000, -0.0001607700000000 ] - [ 0.0035557300000000, -0.0000553000000000, 0.0001934900000000 ] - [ 0.0035557300000000, 0.0000553000000000, 0.0001934900000000 ] - [ 0.0055437000000000, 0.0000551100000000, -0.0033695500000000 ] - [ 0.0055437000000000, -0.0000551100000000, -0.0033695500000000 ] - [ 0.0055384400000000, 0.0000000000000000, -0.0033775000000000 ] - [ 0.0045475300000000, 0.0011433900000000, -0.0023857200000000 ] - [ 0.0045475300000000, -0.0011433900000000, -0.0023857200000000 ] - [ 0.0046517200000000, 0.0000000000000000, -0.0029905800000000 ] - [ 0.0049333800000000, -0.0001323200000000, -0.0024420200000000 ] - [ 0.0049333800000000, 0.0001323200000000, -0.0024420200000000 ] - [ 0.0049330800000000, 0.0000000000000000, -0.0024794500000000 ] - [ -0.0068037900000000, 0.0229361200000000, 0.0018858600000000 ] - [ -0.0068037900000000, -0.0229361200000000, 0.0018858600000000 ] - [ 0.0068659900000000, 0.0000000000000000, -0.0005211200000000 ] - [ 0.0047123200000000, -0.0001000600000000, -0.0044273300000000 ] - [ 0.0047123200000000, 0.0001000600000000, -0.0044273300000000 ] - [ 0.0047124600000000, 0.0000000000000000, -0.0044049400000000 ] - [ 0.0051744200000000, -0.0015307700000000, -0.0051090800000000 ] - [ 0.0051744200000000, 0.0015307700000000, -0.0051090800000000 ] - [ 0.0051276200000000, 0.0000000000000000, -0.0044077500000000 ] - [ -0.0034526400000000, -0.0298136200000000, 0.0017337100000000 ] - [ -0.0034526400000000, 0.0298136200000000, 0.0017337100000000 ] - [ 0.0061278300000000, 0.0000000000000000, 0.0039144000000000 ] - [ -0.0002527700000000, 0.0000173500000000, 0.0001503000000000 ] - [ -0.0002527700000000, -0.0000173500000000, 0.0001503000000000 ] - [ 0.0000804500000000, 0.0000000000000000, 0.0001235600000000 ] - [ -0.0001691300000000, 0.0000054600000000, 0.0000953000000000 ] - [ -0.0001691300000000, -0.0000054600000000, 0.0000953000000000 ] - [ -0.0001962400000000, 0.0000000000000000, 0.0000880000000000 ] - [ 0.0000658100000000, 0.0000100700000000, -0.0001820800000000 ] - [ 0.0000658100000000, -0.0000100700000000, -0.0001820800000000 ] - [ -0.0001177500000000, 0.0000000000000000, -0.0001927700000000 ] - [ -0.0001642200000000, 0.0000170700000000, 0.0000390400000000 ] - [ -0.0001642200000000, -0.0000170700000000, 0.0000390400000000 ] - [ -0.0001368400000000, 0.0000000000000000, 0.0000395200000000 ] - [ -0.0010382700000000, 0.0000996900000000, 0.0000588400000000 ] - [ -0.0010382700000000, -0.0000996900000000, 0.0000588400000000 ] - [ -0.0008475100000000, 0.0000000000000000, 0.0000010400000000 ] - [ 0.0051358400000000, 0.0007598100000000, 0.0006363600000000 ] - [ 0.0051358400000000, -0.0007598100000000, 0.0006363600000000 ] - [ 0.0010074900000000, 0.0000000000000000, -0.0000273100000000 ] - [ -0.0080250700000000, -0.0021883000000000, -0.0028980900000000 ] - [ -0.0080250700000000, 0.0021883000000000, -0.0028980900000000 ] - [ -0.0017454900000000, 0.0000000000000000, -0.0000668600000000 ] - [ -0.1185195500000000, 0.0000000000000000, -0.0031919300000000 ] - [ -0.0093928100000000, -0.0159369600000000, -0.0030330200000000 ] - [ -0.0093928100000000, 0.0159369600000000, -0.0030330200000000 ] - [ -0.0112872200000000, 0.0000000000000000, 0.0199396900000000 ] - [ -0.0112254600000000, 0.0012602100000000, 0.0069191800000000 ] - [ -0.0112254600000000, -0.0012602100000000, 0.0069191800000000 ] - [ -0.0064297800000000, 0.0000000000000000, -0.0084834500000000 ] - [ -0.0037764700000000, -0.0013845300000000, 0.0067293300000000 ] - [ -0.0037764700000000, 0.0013845300000000, 0.0067293300000000 ] - [ -0.0059158500000000, 0.0000000000000000, 0.0057187800000000 ] - [ -0.0058959100000000, 0.0000534500000000, 0.0052398900000000 ] - [ -0.0058959100000000, -0.0000534500000000, 0.0052398900000000 ] - [ -0.0063691600000000, 0.0000000000000000, 0.0063100800000000 ] - [ -0.0063935800000000, -0.0000622900000000, 0.0059804400000000 ] - [ -0.0063935800000000, 0.0000622900000000, 0.0059804400000000 ] - [ -0.0075320000000000, 0.0000000000000000, 0.0042993700000000 ] - [ -0.0075067800000000, 0.0000229400000000, 0.0044846300000000 ] - [ -0.0075067800000000, -0.0000229400000000, 0.0044846300000000 ] - [ -0.0066151100000000, 0.0000000000000000, 0.0026885000000000 ] - [ -0.0067187500000000, -0.0000782100000000, 0.0032817900000000 ] - [ -0.0067187500000000, 0.0000782100000000, 0.0032817900000000 ] - [ -0.0064298300000000, 0.0000000000000000, -0.0061295400000000 ] - [ -0.0067238000000000, 0.0006891100000000, 0.0030374800000000 ] - [ -0.0067238000000000, -0.0006891100000000, 0.0030374800000000 ] - [ 0.0269502400000000, 0.0000000000000000, -0.0029595800000000 ] - [ -0.0076409100000000, 0.0122678400000000, 0.0021898900000000 ] - [ -0.0076409100000000, -0.0122678400000000, 0.0021898900000000 ] - [ -0.0067040100000000, 0.0000000000000000, 0.0176877700000000 ] - [ -0.0071952100000000, -0.0008909600000000, 0.0064438600000000 ] - [ -0.0071952100000000, 0.0008909600000000, 0.0064438600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005357700000000, 0.0000640500000000, 0.0000049400000000 ] - [ -0.0005351100000000, 0.0000664400000000, -0.0001352600000000 ] - [ -0.0005353200000000, -0.0001310400000000, -0.0000648300000000 ] - [ -0.0002247500000000, 0.0004267700000000, 0.0009717800000000 ] - [ -0.0000431600000000, 0.0004442100000000, -0.0008575000000000 ] - [ -0.0001321600000000, -0.0006717000000000, 0.0000544700000000 ] - [ 0.0003185300000000, 0.0000602300000000, 0.0024983500000000 ] - [ -0.0006105800000000, 0.0001640500000000, -0.0018009200000000 ] - [ -0.0001554900000000, -0.0007173800000000, 0.0003086300000000 ] - [ 0.0044782400000000, -0.0001058000000000, -0.0037261100000000 ] - [ 0.0044959300000000, -0.0001077300000000, -0.0036733700000000 ] - [ 0.0044873900000000, 0.0002078400000000, -0.0036993100000000 ] - [ 0.0094590600000000, -0.0006176200000000, -0.0037413800000000 ] - [ 0.0098152100000000, -0.0006340300000000, -0.0031454800000000 ] - [ 0.0096362200000000, 0.0012488000000000, -0.0034427200000000 ] - [ 0.0014925800000000, -0.0006413700000000, -0.0074994900000000 ] - [ 0.0012639300000000, -0.0006604400000000, -0.0069314000000000 ] - [ 0.0013791600000000, 0.0013155500000000, -0.0072136300000000 ] - [ -0.0006467400000000, -0.0000571900000000, -0.0013013100000000 ] - [ -0.0006527200000000, 0.0000255200000000, -0.0013153200000000 ] - [ -0.0006410800000000, 0.0000263700000000, -0.0012876000000000 ] - [ 0.0019714000000000, -0.0000431200000000, 0.0002558500000000 ] - [ 0.0019724000000000, 0.0000216000000000, 0.0003120300000000 ] - [ 0.0019660900000000, 0.0000222900000000, 0.0002016800000000 ] - [ -0.0003203400000000, -0.0001567200000000, -0.0019858200000000 ] - [ -0.0002945800000000, 0.0000958200000000, -0.0014281100000000 ] - [ -0.0003430700000000, 0.0000977300000000, -0.0025223700000000 ] - [ 0.0019457600000000, -0.0000592100000000, 0.0000543000000000 ] - [ 0.0019584100000000, 0.0000274400000000, 0.0001200500000000 ] - [ 0.0019358700000000, 0.0000282500000000, -0.0000089100000000 ] - [ -0.0000489300000000, -0.0002015300000000, -0.0013333000000000 ] - [ -0.0000813000000000, 0.0000937000000000, -0.0008158600000000 ] - [ -0.0000188900000000, 0.0000954000000000, -0.0018321200000000 ] - [ 0.0022791400000000, -0.0000696100000000, -0.0000912000000000 ] - [ 0.0022782900000000, 0.0000340800000000, -0.0001664600000000 ] - [ 0.0022804600000000, 0.0000351100000000, -0.0000182700000000 ] - [ 0.0003436100000000, -0.0000519200000000, -0.0012332900000000 ] - [ 0.0003341700000000, 0.0000262700000000, -0.0012437600000000 ] - [ 0.0003529300000000, 0.0000271500000000, -0.0012235000000000 ] - [ -0.0005135200000000, -0.0039895200000000, -0.0019036800000000 ] - [ -0.0003130800000000, 0.0011308100000000, -0.0035373500000000 ] - [ -0.0006955300000000, 0.0011312900000000, -0.0003717900000000 ] - [ 0.0024852900000000, -0.0004778100000000, 0.0005487300000000 ] - [ 0.0024859300000000, 0.0002873300000000, 0.0001779800000000 ] - [ 0.0024800600000000, 0.0002922900000000, 0.0008983400000000 ] - [ -0.0004778600000000, -0.0002306600000000, -0.0011498100000000 ] - [ -0.0005283400000000, 0.0001011700000000, -0.0016749600000000 ] - [ -0.0004279100000000, 0.0001037800000000, -0.0006442900000000 ] - [ 0.0026061200000000, -0.0000663900000000, 0.0004426700000000 ] - [ 0.0026056200000000, 0.0000336700000000, 0.0003790200000000 ] - [ 0.0026052300000000, 0.0000345100000000, 0.0005042400000000 ] - [ 0.0001321200000000, -0.0002608900000000, -0.0015043200000000 ] - [ 0.0001418100000000, 0.0001094200000000, -0.0020230200000000 ] - [ 0.0001221800000000, 0.0001112900000000, -0.0010038000000000 ] - [ 0.0030015700000000, 0.0024091100000000, -0.0003302300000000 ] - [ 0.0024803900000000, 0.0030056600000000, -0.0007623500000000 ] - [ 0.0034023100000000, 0.0029902700000000, 0.0000565400000000 ] - [ -0.0002610200000000, -0.0047957800000000, -0.0013412300000000 ] - [ -0.0004084200000000, 0.0012188600000000, -0.0031376500000000 ] - [ -0.0001570500000000, 0.0012206500000000, 0.0002952800000000 ] - [ 0.0014173800000000, -0.0001104700000000, -0.0001885800000000 ] - [ 0.0014438700000000, 0.0001170700000000, 0.0001375000000000 ] - [ 0.0013892900000000, 0.0001192600000000, -0.0004982700000000 ] - [ 0.0004351700000000, -0.0039062800000000, -0.0005131400000000 ] - [ 0.0003674100000000, 0.0008395700000000, 0.0014924700000000 ] - [ 0.0004701100000000, 0.0008425600000000, -0.0023857000000000 ] - [ 0.0020287400000000, -0.0492273000000000, -0.0002461000000000 ] - [ 0.0026316300000000, 0.0021685000000000, -0.0002528600000000 ] - [ 0.0020645300000000, 0.0021669800000000, -0.0000810200000000 ] - [ -0.0001392200000000, -0.0034007500000000, -0.0020978800000000 ] - [ -0.0000469400000000, 0.0007385100000000, -0.0003514200000000 ] - [ -0.0002030300000000, 0.0007394400000000, -0.0037529300000000 ] - [ 0.0024276600000000, -0.0009176500000000, 0.0001919700000000 ] - [ 0.0023113600000000, 0.0006154900000000, -0.0005569900000000 ] - [ 0.0025466700000000, 0.0006126400000000, 0.0009198800000000 ] - [ 0.0024115100000000, -0.0007970800000000, 0.0002610000000000 ] - [ 0.0023647700000000, 0.0002961800000000, 0.0007843400000000 ] - [ 0.0024601500000000, 0.0002968400000000, -0.0002555900000000 ] - [ 0.0055249700000000, -0.0001081800000000, -0.0034275800000000 ] - [ 0.0055293500000000, -0.0001110800000000, -0.0035073600000000 ] - [ 0.0055271500000000, 0.0002121800000000, -0.0034679400000000 ] - [ 0.0043180400000000, -0.0006322600000000, -0.0028327500000000 ] - [ 0.0049874500000000, -0.0006489500000000, -0.0039840900000000 ] - [ 0.0046503300000000, 0.0012026900000000, -0.0034093600000000 ] - [ 0.0049505800000000, -0.0001031200000000, -0.0026075600000000 ] - [ 0.0049434800000000, -0.0001072000000000, -0.0025525200000000 ] - [ 0.0049468600000000, 0.0002113000000000, -0.0025796700000000 ] - [ -0.0058617800000000, 0.0094454000000000, 0.0011652500000000 ] - [ 0.0199416500000000, 0.0095525500000000, -0.0025399100000000 ] - [ 0.0069283400000000, 0.0056444500000000, -0.0006734300000000 ] - [ 0.0047142500000000, -0.0001051800000000, -0.0042921200000000 ] - [ 0.0047247400000000, -0.0001091600000000, -0.0043753800000000 ] - [ 0.0047195900000000, 0.0002119200000000, -0.0043344900000000 ] - [ 0.0053918900000000, -0.0006555900000000, -0.0035192400000000 ] - [ 0.0050086500000000, -0.0006735300000000, -0.0044793400000000 ] - [ 0.0052019700000000, 0.0012527700000000, -0.0040015400000000 ] - [ 0.0208921200000000, 0.0113010300000000, 0.0060416400000000 ] - [ -0.0073284600000000, 0.0113375400000000, 0.0026748600000000 ] - [ 0.0068774400000000, 0.0058356600000000, 0.0043669300000000 ] - [ 0.0004318100000000, 0.0001546400000000, 0.0002774900000000 ] - [ 0.0004315400000000, 0.0001594900000000, -0.0000614100000000 ] - [ 0.0004314300000000, -0.0003038100000000, 0.0001069200000000 ] - [ -0.0003032700000000, 0.0000471000000000, 0.0000882000000000 ] - [ -0.0003026400000000, 0.0000499100000000, 0.0000899000000000 ] - [ -0.0003026800000000, -0.0000961900000000, 0.0000892500000000 ] - [ -0.0003899400000000, 0.0001417900000000, -0.0003592600000000 ] - [ -0.0004019800000000, 0.0001471400000000, 0.0000206500000000 ] - [ -0.0003961200000000, -0.0002986100000000, -0.0001676200000000 ] - [ -0.0000355400000000, 0.0000471000000000, 0.0000472600000000 ] - [ -0.0000361100000000, 0.0000481000000000, 0.0000501700000000 ] - [ -0.0000356800000000, -0.0000944400000000, 0.0000488000000000 ] - [ -0.0005897700000000, 0.0001840300000000, -0.0001946200000000 ] - [ -0.0005722200000000, 0.0001894900000000, 0.0002748100000000 ] - [ -0.0005814300000000, -0.0003719200000000, 0.0000408100000000 ] - [ -0.0000530900000000, 0.0009783100000000, -0.0020388700000000 ] - [ 0.0002262600000000, 0.0010204600000000, 0.0020937900000000 ] - [ 0.0000896500000000, -0.0015782100000000, 0.0000349500000000 ] - [ 0.0001211800000000, -0.0018944700000000, -0.0065214200000000 ] - [ -0.0013295000000000, -0.0018356300000000, 0.0061846000000000 ] - [ -0.0006062600000000, -0.0015922200000000, -0.0001582500000000 ] - [ -0.0090543700000000, 0.0229937000000000, -0.0033017300000000 ] - [ -0.0096227100000000, -0.0123010700000000, -0.0035780200000000 ] - [ -0.0092551200000000, -0.0122868600000000, -0.0030434400000000 ] - [ -0.0111891600000000, 0.0015758700000000, 0.0052072500000000 ] - [ -0.0111975000000000, -0.0007794000000000, 0.0033207200000000 ] - [ -0.0111658200000000, -0.0007902600000000, 0.0070292200000000 ] - [ -0.0034510700000000, 0.0015224400000000, 0.0085267700000000 ] - [ -0.0034730700000000, -0.0007961200000000, 0.0064735100000000 ] - [ -0.0034512700000000, -0.0008100400000000, 0.0104953800000000 ] - [ -0.0059702900000000, 0.0001711700000000, 0.0049177600000000 ] - [ -0.0059882100000000, -0.0000822400000000, 0.0046758300000000 ] - [ -0.0059494300000000, -0.0000831700000000, 0.0051532800000000 ] - [ -0.0063956300000000, 0.0001837400000000, 0.0057631500000000 ] - [ -0.0063961100000000, -0.0000909100000000, 0.0060217900000000 ] - [ -0.0063939700000000, -0.0000927500000000, 0.0055094000000000 ] - [ -0.0075219800000000, 0.0001861600000000, 0.0047703300000000 ] - [ -0.0075117100000000, -0.0000872700000000, 0.0050345900000000 ] - [ -0.0075333100000000, -0.0000919100000000, 0.0045186300000000 ] - [ -0.0067560300000000, 0.0001738200000000, 0.0036416800000000 ] - [ -0.0067472400000000, -0.0000847400000000, 0.0033801400000000 ] - [ -0.0067663600000000, -0.0000899300000000, 0.0038934300000000 ] - [ -0.0069589900000000, 0.0015523900000000, 0.0044634300000000 ] - [ -0.0072306200000000, -0.0007543900000000, 0.0059972500000000 ] - [ -0.0066848400000000, -0.0007628300000000, 0.0029816600000000 ] - [ -0.0089574600000000, 0.0170328700000000, 0.0025198600000000 ] - [ -0.0089670700000000, -0.0094149000000000, 0.0024928000000000 ] - [ -0.0085753600000000, -0.0093685100000000, 0.0025157700000000 ] - [ -0.0069971100000000, 0.0014527500000000, 0.0051193100000000 ] - [ -0.0065795600000000, -0.0007007500000000, 0.0067212900000000 ] - [ -0.0074145800000000, -0.0007130000000000, 0.0035999000000000 ]- atom: 67 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005264600000000, 0.0003004500000000, -0.0005195500000000 ] - [ -0.0005264600000000, -0.0003004500000000, -0.0005195500000000 ] - [ -0.0005287700000000, 0.0000000000000000, -0.0002715100000000 ] - [ -0.0000883700000000, 0.0009436900000000, 0.0008868700000000 ] - [ -0.0000883700000000, -0.0009436900000000, 0.0008868700000000 ] - [ -0.0001373900000000, 0.0000000000000000, 0.0004094600000000 ] - [ -0.0007007300000000, 0.0027642400000000, 0.0007356800000000 ] - [ -0.0007007300000000, -0.0027642400000000, 0.0007356800000000 ] - [ -0.0001505200000000, 0.0000000000000000, 0.0007066100000000 ] - [ 0.0045493000000000, -0.0003399200000000, -0.0030946000000000 ] - [ 0.0045493000000000, 0.0003399200000000, -0.0030946000000000 ] - [ 0.0045164500000000, 0.0000000000000000, -0.0032559400000000 ] - [ 0.0098124500000000, -0.0022759800000000, -0.0028697900000000 ] - [ 0.0098124500000000, 0.0022759800000000, -0.0028697900000000 ] - [ 0.0096254500000000, 0.0000000000000000, -0.0034493600000000 ] - [ 0.0012628700000000, -0.0023591800000000, -0.0066557100000000 ] - [ 0.0012628700000000, 0.0023591800000000, -0.0066557100000000 ] - [ 0.0013369600000000, 0.0000000000000000, -0.0072311400000000 ] - [ -0.0006438400000000, 0.0000000000000000, 0.0007167200000000 ] - [ -0.0006415900000000, 0.0000117300000000, 0.0000069700000000 ] - [ -0.0006415900000000, -0.0000117300000000, 0.0000069700000000 ] - [ 0.0019923600000000, 0.0000000000000000, 0.0009962700000000 ] - [ 0.0019945700000000, 0.0000635700000000, 0.0006290100000000 ] - [ 0.0019945700000000, -0.0000635700000000, 0.0006290100000000 ] - [ -0.0001947800000000, 0.0000000000000000, 0.0015045500000000 ] - [ -0.0003498800000000, 0.0002683200000000, -0.0010124900000000 ] - [ -0.0003498800000000, -0.0002683200000000, -0.0010124900000000 ] - [ 0.0020463600000000, 0.0000000000000000, 0.0009364500000000 ] - [ 0.0019686400000000, 0.0000861600000000, 0.0005219900000000 ] - [ 0.0019686400000000, -0.0000861600000000, 0.0005219900000000 ] - [ 0.0000855600000000, 0.0000000000000000, 0.0018616800000000 ] - [ 0.0000548300000000, 0.0002626500000000, -0.0004307500000000 ] - [ 0.0000548300000000, -0.0002626500000000, -0.0004307500000000 ] - [ 0.0023175500000000, 0.0000000000000000, 0.0006745300000000 ] - [ 0.0023150700000000, -0.0000683900000000, 0.0003529500000000 ] - [ 0.0023150700000000, 0.0000683900000000, 0.0003529500000000 ] - [ 0.0003662700000000, 0.0000000000000000, 0.0008005300000000 ] - [ 0.0003595600000000, 0.0000115600000000, 0.0001231300000000 ] - [ 0.0003595600000000, -0.0000115600000000, 0.0001231300000000 ] - [ -0.0118548000000000, 0.0000000000000000, 0.0068434400000000 ] - [ -0.0009057900000000, -0.0005070400000000, -0.0033607500000000 ] - [ -0.0009057900000000, 0.0005070400000000, -0.0033607500000000 ] - [ 0.0028519600000000, 0.0000000000000000, 0.0027006300000000 ] - [ 0.0024952900000000, -0.0003413200000000, 0.0005142300000000 ] - [ 0.0024952900000000, 0.0003413200000000, 0.0005142300000000 ] - [ -0.0003920900000000, 0.0000000000000000, 0.0015953500000000 ] - [ -0.0004537100000000, -0.0002161100000000, -0.0001778600000000 ] - [ -0.0004537100000000, 0.0002161100000000, -0.0001778600000000 ] - [ 0.0026289500000000, 0.0000000000000000, 0.0011787700000000 ] - [ 0.0026252400000000, -0.0000613600000000, 0.0008908300000000 ] - [ 0.0026252400000000, 0.0000613600000000, 0.0008908300000000 ] - [ 0.0000632700000000, 0.0000000000000000, 0.0012739100000000 ] - [ 0.0000924200000000, -0.0002062100000000, -0.0005964600000000 ] - [ 0.0000924200000000, 0.0002062100000000, -0.0005964600000000 ] - [ 0.0011313500000000, 0.0000000000000000, 0.0014826500000000 ] - [ 0.0028205400000000, -0.0001244600000000, -0.0009547300000000 ] - [ 0.0028205400000000, 0.0001244600000000, -0.0009547300000000 ] - [ 0.0143003700000000, 0.0000000000000000, 0.0101053400000000 ] - [ 0.0000120700000000, -0.0003971400000000, -0.0029795100000000 ] - [ 0.0000120700000000, 0.0003971400000000, -0.0029795100000000 ] - [ 0.0016093400000000, 0.0000000000000000, 0.0017864300000000 ] - [ 0.0013831300000000, 0.0003531300000000, -0.0002056200000000 ] - [ 0.0013831300000000, -0.0003531300000000, -0.0002056200000000 ] - [ -0.0093650700000000, 0.0000000000000000, 0.0033869200000000 ] - [ 0.0003957300000000, 0.0002516000000000, -0.0024422500000000 ] - [ 0.0003957300000000, -0.0002516000000000, -0.0024422500000000 ] - [ -0.0087968300000000, 0.0000000000000000, -0.0486091500000000 ] - [ 0.0023493400000000, 0.0000826400000000, -0.0012054100000000 ] - [ 0.0023493400000000, -0.0000826400000000, -0.0012054100000000 ] - [ 0.0097646200000000, 0.0000000000000000, 0.0035973600000000 ] - [ 0.0000049900000000, 0.0003139400000000, -0.0039109000000000 ] - [ 0.0000049900000000, -0.0003139400000000, -0.0039109000000000 ] - [ 0.0021360500000000, 0.0000000000000000, 0.0019783500000000 ] - [ 0.0025025600000000, -0.0007020800000000, 0.0005120400000000 ] - [ 0.0025025600000000, 0.0007020800000000, 0.0005120400000000 ] - [ 0.0019666400000000, 0.0000000000000000, 0.0029921700000000 ] - [ 0.0023988800000000, 0.0005497300000000, 0.0003671100000000 ] - [ 0.0023988800000000, -0.0005497300000000, 0.0003671100000000 ] - [ 0.0055245100000000, 0.0002162200000000, -0.0028772000000000 ] - [ 0.0055245100000000, -0.0002162200000000, -0.0028772000000000 ] - [ 0.0055281400000000, 0.0000000000000000, -0.0030295300000000 ] - [ 0.0043881600000000, 0.0015157700000000, -0.0028330100000000 ] - [ 0.0043881600000000, -0.0015157700000000, -0.0028330100000000 ] - [ 0.0046315400000000, 0.0000000000000000, -0.0034867000000000 ] - [ 0.0048869800000000, -0.0003418100000000, -0.0019653600000000 ] - [ 0.0048869800000000, 0.0003418100000000, -0.0019653600000000 ] - [ 0.0049015200000000, 0.0000000000000000, -0.0021308000000000 ] - [ 0.0063171000000000, 0.0010483000000000, -0.0050621000000000 ] - [ 0.0063171000000000, -0.0010483000000000, -0.0050621000000000 ] - [ 0.0069341300000000, 0.0000000000000000, -0.0014085100000000 ] - [ 0.0047172900000000, 0.0002156400000000, -0.0037366300000000 ] - [ 0.0047172900000000, -0.0002156400000000, -0.0037366300000000 ] - [ 0.0047280000000000, 0.0000000000000000, -0.0038838800000000 ] - [ 0.0053825200000000, 0.0016905600000000, -0.0033551800000000 ] - [ 0.0053825200000000, -0.0016905600000000, -0.0033551800000000 ] - [ 0.0052724600000000, 0.0000000000000000, -0.0040989200000000 ] - [ 0.0072768400000000, 0.0006327500000000, -0.0006107400000000 ] - [ 0.0072768400000000, -0.0006327500000000, -0.0006107400000000 ] - [ 0.0068714200000000, 0.0000000000000000, 0.0037143700000000 ] - [ 0.0003925500000000, 0.0006698700000000, -0.0008851100000000 ] - [ 0.0003925500000000, -0.0006698700000000, -0.0008851100000000 ] - [ 0.0004140900000000, 0.0000000000000000, -0.0003157300000000 ] - [ -0.0003005800000000, 0.0000216500000000, -0.0006362800000000 ] - [ -0.0003005800000000, -0.0000216500000000, -0.0006362800000000 ] - [ -0.0002993100000000, 0.0000000000000000, -0.0004805000000000 ] - [ -0.0004094200000000, -0.0004684100000000, -0.0009770600000000 ] - [ -0.0004094200000000, 0.0004684100000000, -0.0009770600000000 ] - [ -0.0004101700000000, 0.0000000000000000, -0.0005694500000000 ] - [ -0.0000466200000000, 0.0000299400000000, -0.0007223900000000 ] - [ -0.0000466200000000, -0.0000299400000000, -0.0007223900000000 ] - [ -0.0000452300000000, 0.0000000000000000, -0.0005607200000000 ] - [ -0.0005673400000000, -0.0004660600000000, -0.0008496600000000 ] - [ -0.0005673400000000, 0.0004660600000000, -0.0008496600000000 ] - [ -0.0005626000000000, 0.0000000000000000, -0.0004398400000000 ] - [ -0.0001162600000000, -0.0018826700000000, 0.0011777600000000 ] - [ -0.0001162600000000, 0.0018826700000000, 0.0011777600000000 ] - [ 0.0000994600000000, 0.0000000000000000, 0.0006029900000000 ] - [ 0.0000527800000000, -0.0058829900000000, -0.0018863900000000 ] - [ 0.0000527800000000, 0.0058829900000000, -0.0018863900000000 ] - [ -0.0006305700000000, 0.0000000000000000, 0.0004602000000000 ] - [ 0.0074459600000000, 0.0000000000000000, 0.0240131700000000 ] - [ -0.0094098600000000, -0.0002119200000000, -0.0001404300000000 ] - [ -0.0094098600000000, 0.0002119200000000, -0.0001404300000000 ] - [ -0.0119302100000000, 0.0000000000000000, -0.0028958900000000 ] - [ -0.0114748200000000, -0.0020560700000000, 0.0056077500000000 ] - [ -0.0114748200000000, 0.0020560700000000, 0.0056077500000000 ] - [ -0.0033451000000000, 0.0000000000000000, 0.0001442700000000 ] - [ -0.0031459900000000, -0.0021399500000000, 0.0089148100000000 ] - [ -0.0031459900000000, 0.0021399500000000, 0.0089148100000000 ] - [ -0.0062359400000000, 0.0000000000000000, 0.0020301400000000 ] - [ -0.0061283600000000, -0.0002728500000000, 0.0034549300000000 ] - [ -0.0061283600000000, 0.0002728500000000, 0.0034549300000000 ] - [ -0.0064442600000000, 0.0000000000000000, 0.0030198900000000 ] - [ -0.0064458200000000, 0.0001825800000000, 0.0041857200000000 ] - [ -0.0064458200000000, -0.0001825800000000, 0.0041857200000000 ] - [ -0.0075707500000000, 0.0000000000000000, 0.0020260000000000 ] - [ -0.0075494300000000, 0.0001831700000000, 0.0032435900000000 ] - [ -0.0075494300000000, -0.0001831700000000, 0.0032435900000000 ] - [ -0.0066071900000000, 0.0000000000000000, 0.0004503300000000 ] - [ -0.0066572400000000, -0.0002754500000000, 0.0020615900000000 ] - [ -0.0066572400000000, 0.0002754500000000, 0.0020615900000000 ] - [ -0.0069340500000000, 0.0000000000000000, -0.0013842200000000 ] - [ -0.0067454200000000, 0.0012698500000000, 0.0044904200000000 ] - [ -0.0067454200000000, -0.0012698500000000, 0.0044904200000000 ] - [ -0.0147387400000000, 0.0000000000000000, 0.0215240200000000 ] - [ -0.0087898000000000, 0.0001087100000000, 0.0052691800000000 ] - [ -0.0087898000000000, -0.0001087100000000, 0.0052691800000000 ] - [ -0.0069331000000000, 0.0000000000000000, -0.0023841100000000 ] - [ -0.0072901800000000, 0.0013498700000000, 0.0051935500000000 ] - [ -0.0072901800000000, -0.0013498700000000, 0.0051935500000000 ]- atom: 67 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005442800000000, -0.0002978900000000, 0.0003881300000000 ] - [ -0.0005442800000000, 0.0002978900000000, 0.0003881300000000 ] - [ -0.0005418700000000, 0.0000000000000000, 0.0001419900000000 ] - [ -0.0001796900000000, -0.0009459300000000, -0.0007549000000000 ] - [ -0.0001796900000000, 0.0009459300000000, -0.0007549000000000 ] - [ -0.0001280600000000, 0.0000000000000000, -0.0002885100000000 ] - [ 0.0004028500000000, -0.0028283900000000, -0.0000439000000000 ] - [ 0.0004028500000000, 0.0028283900000000, -0.0000439000000000 ] - [ -0.0001598700000000, 0.0000000000000000, -0.0000805800000000 ] - [ 0.0044251600000000, 0.0003348000000000, -0.0043039300000000 ] - [ 0.0044251600000000, -0.0003348000000000, -0.0043039300000000 ] - [ 0.0044582100000000, 0.0000000000000000, -0.0041432700000000 ] - [ 0.0094625600000000, 0.0022614600000000, -0.0040189600000000 ] - [ 0.0094625600000000, -0.0022614600000000, -0.0040189600000000 ] - [ 0.0096475700000000, 0.0000000000000000, -0.0034422900000000 ] - [ 0.0014930500000000, 0.0023475600000000, -0.0077768300000000 ] - [ 0.0014930500000000, -0.0023475600000000, -0.0077768300000000 ] - [ 0.0014204000000000, 0.0000000000000000, -0.0072022500000000 ] - [ -0.0006491800000000, 0.0000000000000000, -0.0033187500000000 ] - [ -0.0006520900000000, -0.0000108600000000, -0.0026083200000000 ] - [ -0.0006520900000000, 0.0000108600000000, -0.0026083200000000 ] - [ 0.0019507200000000, 0.0000000000000000, -0.0004808200000000 ] - [ 0.0019445200000000, -0.0000627900000000, -0.0001157000000000 ] - [ 0.0019445200000000, 0.0000627900000000, -0.0001157000000000 ] - [ -0.0004436900000000, 0.0000000000000000, -0.0054502400000000 ] - [ -0.0002885100000000, -0.0002668200000000, -0.0029489600000000 ] - [ -0.0002885100000000, 0.0002668200000000, -0.0029489600000000 ] - [ 0.0018468300000000, 0.0000000000000000, -0.0008238000000000 ] - [ 0.0019255900000000, -0.0000851500000000, -0.0004118400000000 ] - [ 0.0019255900000000, 0.0000851500000000, -0.0004118400000000 ] - [ -0.0001804400000000, 0.0000000000000000, -0.0045028200000000 ] - [ -0.0001540400000000, -0.0002607800000000, -0.0022270500000000 ] - [ -0.0001540400000000, 0.0002607800000000, -0.0022270500000000 ] - [ 0.0022405700000000, 0.0000000000000000, -0.0008601600000000 ] - [ 0.0022430100000000, 0.0000693000000000, -0.0005359400000000 ] - [ 0.0022430100000000, -0.0000693000000000, -0.0005359400000000 ] - [ 0.0003211900000000, 0.0000000000000000, -0.0032657500000000 ] - [ 0.0003278400000000, -0.0000109600000000, -0.0025885600000000 ] - [ 0.0003278400000000, 0.0000109600000000, -0.0025885600000000 ] - [ 0.0110961600000000, 0.0000000000000000, -0.0108870900000000 ] - [ -0.0000994500000000, 0.0005102900000000, -0.0005100000000000 ] - [ -0.0000994500000000, -0.0005102900000000, -0.0005100000000000 ] - [ 0.0021175300000000, 0.0000000000000000, -0.0016403600000000 ] - [ 0.0024698700000000, 0.0003422100000000, 0.0005713100000000 ] - [ 0.0024698700000000, -0.0003422100000000, 0.0005713100000000 ] - [ -0.0005641500000000, 0.0000000000000000, -0.0039151800000000 ] - [ -0.0005023500000000, 0.0002172600000000, -0.0021298900000000 ] - [ -0.0005023500000000, -0.0002172600000000, -0.0021298900000000 ] - [ 0.0025836200000000, 0.0000000000000000, -0.0002963700000000 ] - [ 0.0025850200000000, 0.0000621500000000, -0.0000059400000000 ] - [ 0.0025850200000000, -0.0000621500000000, -0.0000059400000000 ] - [ 0.0002041100000000, 0.0000000000000000, -0.0043072300000000 ] - [ 0.0001719100000000, 0.0002081400000000, -0.0024180500000000 ] - [ 0.0001719100000000, -0.0002081400000000, -0.0024180500000000 ] - [ 0.0048900900000000, 0.0000000000000000, -0.0021592500000000 ] - [ 0.0030577100000000, 0.0001082600000000, 0.0002575700000000 ] - [ 0.0030577100000000, -0.0001082600000000, 0.0002575700000000 ] - [ -0.0151123200000000, 0.0000000000000000, -0.0130571000000000 ] - [ -0.0005798200000000, 0.0003972500000000, 0.0001710200000000 ] - [ -0.0005798200000000, -0.0003972500000000, 0.0001710200000000 ] - [ 0.0012318700000000, 0.0000000000000000, -0.0021404100000000 ] - [ 0.0014483600000000, -0.0003509500000000, -0.0001619400000000 ] - [ 0.0014483600000000, 0.0003509500000000, -0.0001619400000000 ] - [ 0.0101040800000000, 0.0000000000000000, -0.0043261400000000 ] - [ 0.0004406600000000, -0.0002532700000000, 0.0015097600000000 ] - [ 0.0004406600000000, 0.0002532700000000, 0.0015097600000000 ] - [ 0.0128702400000000, 0.0000000000000000, 0.0480856400000000 ] - [ 0.0023407500000000, -0.0000896000000000, 0.0008738100000000 ] - [ 0.0023407500000000, 0.0000896000000000, 0.0008738100000000 ] - [ -0.0098702700000000, 0.0000000000000000, -0.0076831300000000 ] - [ -0.0002541200000000, -0.0003127000000000, -0.0002335900000000 ] - [ -0.0002541200000000, 0.0003127000000000, -0.0002335900000000 ] - [ 0.0027250600000000, 0.0000000000000000, -0.0016106700000000 ] - [ 0.0023561400000000, 0.0007105100000000, -0.0001411400000000 ] - [ 0.0023561400000000, -0.0007105100000000, -0.0001411400000000 ] - [ 0.0028524300000000, 0.0000000000000000, -0.0024383600000000 ] - [ 0.0024267300000000, -0.0005456700000000, 0.0001543900000000 ] - [ 0.0024267300000000, 0.0005456700000000, 0.0001543900000000 ] - [ 0.0055296800000000, -0.0002198500000000, -0.0040575700000000 ] - [ 0.0055296800000000, 0.0002198500000000, -0.0040575700000000 ] - [ 0.0055260500000000, 0.0000000000000000, -0.0039044100000000 ] - [ 0.0049149100000000, -0.0015270500000000, -0.0039788500000000 ] - [ 0.0049149100000000, 0.0015270500000000, -0.0039788500000000 ] - [ 0.0046691000000000, 0.0000000000000000, -0.0033215200000000 ] - [ 0.0050071200000000, 0.0003388100000000, -0.0031935300000000 ] - [ 0.0050071200000000, -0.0003388100000000, -0.0031935300000000 ] - [ 0.0049923800000000, 0.0000000000000000, -0.0030288000000000 ] - [ 0.0074983500000000, -0.0009727900000000, 0.0037348300000000 ] - [ 0.0074983500000000, 0.0009727900000000, 0.0037348300000000 ] - [ 0.0069128100000000, 0.0000000000000000, 0.0000659100000000 ] - [ 0.0047218300000000, -0.0002184800000000, -0.0049310900000000 ] - [ 0.0047218300000000, 0.0002184800000000, -0.0049310900000000 ] - [ 0.0047111800000000, 0.0000000000000000, -0.0047834700000000 ] - [ 0.0050192500000000, -0.0017005800000000, -0.0046404600000000 ] - [ 0.0050192500000000, 0.0017005800000000, -0.0046404600000000 ] - [ 0.0051308300000000, 0.0000000000000000, -0.0038939900000000 ] - [ 0.0065277700000000, -0.0004980300000000, 0.0093615000000000 ] - [ 0.0065277700000000, 0.0004980300000000, 0.0093615000000000 ] - [ 0.0068828000000000, 0.0000000000000000, 0.0050222200000000 ] - [ 0.0004711300000000, -0.0006645700000000, 0.0011003300000000 ] - [ 0.0004711300000000, 0.0006645700000000, 0.0011003300000000 ] - [ 0.0004490900000000, 0.0000000000000000, 0.0005346100000000 ] - [ -0.0003050200000000, -0.0000213800000000, 0.0008137300000000 ] - [ -0.0003050200000000, 0.0000213800000000, 0.0008137300000000 ] - [ -0.0003057200000000, 0.0000000000000000, 0.0006589300000000 ] - [ -0.0003823100000000, 0.0004728200000000, 0.0006396400000000 ] - [ -0.0003823100000000, -0.0004728200000000, 0.0006396400000000 ] - [ -0.0003818500000000, 0.0000000000000000, 0.0002291100000000 ] - [ -0.0000247100000000, -0.0000276300000000, 0.0008193000000000 ] - [ -0.0000247100000000, 0.0000276300000000, 0.0008193000000000 ] - [ -0.0000259600000000, 0.0000000000000000, 0.0006580300000000 ] - [ -0.0005948500000000, 0.0004694200000000, 0.0009302400000000 ] - [ -0.0005948500000000, -0.0004694200000000, 0.0009302400000000 ] - [ -0.0006004100000000, 0.0000000000000000, 0.0005168800000000 ] - [ 0.0002920500000000, 0.0018818300000000, -0.0011605200000000 ] - [ 0.0002920500000000, -0.0018818300000000, -0.0011605200000000 ] - [ 0.0000807900000000, 0.0000000000000000, -0.0005562300000000 ] - [ -0.0012612200000000, 0.0058607400000000, 0.0014917200000000 ] - [ -0.0012612200000000, -0.0058607400000000, 0.0014917200000000 ] - [ -0.0005834000000000, 0.0000000000000000, -0.0007937100000000 ] - [ -0.0256218500000000, 0.0000000000000000, -0.0304369000000000 ] - [ -0.0094530200000000, 0.0002814400000000, -0.0064755400000000 ] - [ -0.0094530200000000, -0.0002814400000000, -0.0064755400000000 ] - [ -0.0104600200000000, 0.0000000000000000, 0.0132307100000000 ] - [ -0.0108920100000000, 0.0020423300000000, 0.0047814600000000 ] - [ -0.0108920100000000, -0.0020423300000000, 0.0047814600000000 ] - [ -0.0035624700000000, 0.0000000000000000, 0.0168416300000000 ] - [ -0.0037739700000000, 0.0021288000000000, 0.0080919900000000 ] - [ -0.0037739700000000, -0.0021288000000000, 0.0080919900000000 ] - [ -0.0057058600000000, 0.0000000000000000, 0.0077933100000000 ] - [ -0.0058076600000000, 0.0002677100000000, 0.0063784500000000 ] - [ -0.0058076600000000, -0.0002677100000000, 0.0063784500000000 ] - [ -0.0063479000000000, 0.0000000000000000, 0.0085161700000000 ] - [ -0.0063435100000000, -0.0001861700000000, 0.0073391000000000 ] - [ -0.0063435100000000, 0.0001861700000000, 0.0073391000000000 ] - [ -0.0074721600000000, 0.0000000000000000, 0.0075245000000000 ] - [ -0.0074953400000000, -0.0001837700000000, 0.0063025200000000 ] - [ -0.0074953400000000, 0.0001837700000000, 0.0063025200000000 ] - [ -0.0069043700000000, 0.0000000000000000, 0.0068208300000000 ] - [ -0.0068563400000000, 0.0002749500000000, 0.0052173800000000 ] - [ -0.0068563400000000, -0.0002749500000000, 0.0052173800000000 ] - [ -0.0069850500000000, 0.0000000000000000, 0.0104013100000000 ] - [ -0.0071695900000000, -0.0012806400000000, 0.0044561600000000 ] - [ -0.0071695900000000, 0.0012806400000000, 0.0044561600000000 ] - [ -0.0031304900000000, 0.0000000000000000, -0.0164193200000000 ] - [ -0.0087410300000000, -0.0000763200000000, -0.0002608100000000 ] - [ -0.0087410300000000, 0.0000763200000000, -0.0002608100000000 ] - [ -0.0070689500000000, 0.0000000000000000, 0.0127231000000000 ] - [ -0.0067036100000000, -0.0013579500000000, 0.0050964800000000 ] - [ -0.0067036100000000, 0.0013579500000000, 0.0050964800000000 ]- atom: 70 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0004858900000000, 0.0003508700000000, -0.0003666000000000 ] - [ -0.0004858900000000, -0.0003508700000000, -0.0003666000000000 ] - [ -0.0005211300000000, 0.0000000000000000, -0.0000862100000000 ] - [ 0.0001600400000000, 0.0018880900000000, 0.0002779900000000 ] - [ 0.0001600400000000, -0.0018880900000000, 0.0002779900000000 ] - [ -0.0001017300000000, 0.0000000000000000, 0.0000331100000000 ] - [ -0.0010369200000000, -0.0026357500000000, 0.0000180700000000 ] - [ -0.0010369200000000, 0.0026357500000000, 0.0000180700000000 ] - [ -0.0001687800000000, 0.0000000000000000, 0.0002845900000000 ] - [ 0.0044361200000000, -0.0000016200000000, -0.0037694400000000 ] - [ 0.0044361200000000, 0.0000016200000000, -0.0037694400000000 ] - [ 0.0044785200000000, 0.0000000000000000, -0.0037503700000000 ] - [ 0.0059844700000000, 0.0021482500000000, -0.0049034300000000 ] - [ 0.0059844700000000, -0.0021482500000000, -0.0049034300000000 ] - [ 0.0096211400000000, 0.0000000000000000, -0.0034372400000000 ] - [ 0.0025946800000000, 0.0002082400000000, -0.0070887900000000 ] - [ 0.0025946800000000, -0.0002082400000000, -0.0070887900000000 ] - [ 0.0014403000000000, 0.0000000000000000, -0.0071424500000000 ] - [ -0.0006576600000000, 0.0000000000000000, -0.0011797000000000 ] - [ -0.0006492400000000, -0.0000004600000000, -0.0013852100000000 ] - [ -0.0006492400000000, 0.0000004600000000, -0.0013852100000000 ] - [ 0.0019084000000000, 0.0000000000000000, 0.0001826100000000 ] - [ 0.0019367500000000, 0.0000032400000000, 0.0002573200000000 ] - [ 0.0019367500000000, -0.0000032400000000, 0.0002573200000000 ] - [ 0.0022075100000000, 0.0000000000000000, -0.0024484100000000 ] - [ -0.0002549800000000, -0.0000057500000000, -0.0018577100000000 ] - [ -0.0002549800000000, 0.0000057500000000, -0.0018577100000000 ] - [ 0.0021689400000000, 0.0000000000000000, -0.0001492500000000 ] - [ 0.0019787500000000, -0.0000312600000000, 0.0000179600000000 ] - [ 0.0019787500000000, 0.0000312600000000, 0.0000179600000000 ] - [ 0.0021987500000000, 0.0000000000000000, -0.0020989200000000 ] - [ -0.0000168600000000, -0.0001674000000000, -0.0014572600000000 ] - [ -0.0000168600000000, 0.0001674000000000, -0.0014572600000000 ] - [ 0.0023418000000000, 0.0000000000000000, -0.0001063900000000 ] - [ 0.0022786800000000, -0.0000016000000000, -0.0001184200000000 ] - [ 0.0022786800000000, 0.0000016000000000, -0.0001184200000000 ] - [ 0.0003656000000000, 0.0000000000000000, -0.0014063500000000 ] - [ 0.0003445200000000, -0.0000052300000000, -0.0012880600000000 ] - [ 0.0003445200000000, 0.0000052300000000, -0.0012880600000000 ] - [ 0.0008797800000000, 0.0000000000000000, -0.0011855000000000 ] - [ -0.0005007600000000, -0.0000594700000000, -0.0019207400000000 ] - [ -0.0005007600000000, 0.0000594700000000, -0.0019207400000000 ] - [ 0.0025018300000000, 0.0000000000000000, 0.0005006100000000 ] - [ 0.0024534300000000, 0.0000606500000000, 0.0004439300000000 ] - [ 0.0024534300000000, -0.0000606500000000, 0.0004439300000000 ] - [ -0.0004431500000000, 0.0000000000000000, -0.0011802000000000 ] - [ -0.0004718700000000, -0.0000015600000000, -0.0012351100000000 ] - [ -0.0004718700000000, 0.0000015600000000, -0.0012351100000000 ] - [ 0.0025433600000000, 0.0000000000000000, 0.0004301200000000 ] - [ 0.0026032300000000, -0.0000014700000000, 0.0004168000000000 ] - [ 0.0026032300000000, 0.0000014700000000, 0.0004168000000000 ] - [ 0.0001713600000000, 0.0000000000000000, -0.0016050900000000 ] - [ 0.0001241900000000, 0.0000017700000000, -0.0015744700000000 ] - [ 0.0001241900000000, -0.0000017700000000, -0.0015744700000000 ] - [ 0.0106658700000000, 0.0000000000000000, -0.0116802400000000 ] - [ 0.0028405800000000, 0.0001151400000000, -0.0004384500000000 ] - [ 0.0028405800000000, -0.0001151400000000, -0.0004384500000000 ] - [ 0.0019038600000000, 0.0000000000000000, -0.0014583500000000 ] - [ -0.0002181500000000, 0.0000272300000000, -0.0015143600000000 ] - [ -0.0002181500000000, -0.0000272300000000, -0.0015143600000000 ] - [ 0.0085797400000000, 0.0000000000000000, 0.0114415500000000 ] - [ 0.0012529700000000, 0.0000215000000000, -0.0000542700000000 ] - [ 0.0012529700000000, -0.0000215000000000, -0.0000542700000000 ] - [ 0.0054429300000000, 0.0000000000000000, 0.0001678700000000 ] - [ 0.0006949500000000, 0.0001988600000000, -0.0003187200000000 ] - [ 0.0006949500000000, -0.0001988600000000, -0.0003187200000000 ] - [ 0.0153105200000000, 0.0000000000000000, 0.0095629300000000 ] - [ 0.0024572300000000, -0.0000762500000000, -0.0000372400000000 ] - [ 0.0024572300000000, 0.0000762500000000, -0.0000372400000000 ] - [ -0.0498223300000000, 0.0000000000000000, 0.0097145900000000 ] - [ -0.0005283100000000, 0.0001097300000000, -0.0017623200000000 ] - [ -0.0005283100000000, -0.0001097300000000, -0.0017623200000000 ] - [ 0.0027088200000000, 0.0000000000000000, 0.0003497800000000 ] - [ 0.0024462200000000, -0.0000216000000000, 0.0001862300000000 ] - [ 0.0024462200000000, 0.0000216000000000, 0.0001862300000000 ] - [ 0.0193363900000000, 0.0000000000000000, -0.0123015200000000 ] - [ 0.0025139700000000, -0.0000953000000000, 0.0001727400000000 ] - [ 0.0025139700000000, 0.0000953000000000, 0.0001727400000000 ] - [ 0.0055232300000000, -0.0000265900000000, -0.0034928100000000 ] - [ 0.0055232300000000, 0.0000265900000000, -0.0034928100000000 ] - [ 0.0055251000000000, 0.0000000000000000, -0.0034948900000000 ] - [ 0.0045709200000000, 0.0000135000000000, -0.0034116200000000 ] - [ 0.0045709200000000, -0.0000135000000000, -0.0034116200000000 ] - [ 0.0046316200000000, 0.0000000000000000, -0.0034120400000000 ] - [ 0.0049756800000000, 0.0000687400000000, -0.0025888000000000 ] - [ 0.0049756800000000, -0.0000687400000000, -0.0025888000000000 ] - [ 0.0049539600000000, 0.0000000000000000, -0.0025788700000000 ] - [ 0.0036786600000000, 0.0008946300000000, 0.0001292800000000 ] - [ 0.0036786600000000, -0.0008946300000000, 0.0001292800000000 ] - [ 0.0068612300000000, 0.0000000000000000, -0.0006638300000000 ] - [ 0.0047210400000000, 0.0000172700000000, -0.0043620900000000 ] - [ 0.0047210400000000, -0.0000172700000000, -0.0043620900000000 ] - [ 0.0047212400000000, 0.0000000000000000, -0.0043601600000000 ] - [ 0.0052406500000000, 0.0000227000000000, -0.0040496000000000 ] - [ 0.0052406500000000, -0.0000227000000000, -0.0040496000000000 ] - [ 0.0052152800000000, 0.0000000000000000, -0.0040318500000000 ] - [ 0.0079478000000000, 0.0000152600000000, 0.0042173100000000 ] - [ 0.0079478000000000, -0.0000152600000000, 0.0042173100000000 ] - [ 0.0069263700000000, 0.0000000000000000, 0.0043276700000000 ] - [ 0.0003900700000000, -0.0006251500000000, 0.0006509400000000 ] - [ 0.0003900700000000, 0.0006251500000000, 0.0006509400000000 ] - [ 0.0003817500000000, 0.0000000000000000, 0.0001108600000000 ] - [ -0.0003161300000000, -0.0000088300000000, 0.0001256200000000 ] - [ -0.0003161300000000, 0.0000088300000000, 0.0001256200000000 ] - [ -0.0002968400000000, 0.0000000000000000, 0.0001168300000000 ] - [ -0.0004050700000000, -0.0000022900000000, -0.0001307600000000 ] - [ -0.0004050700000000, 0.0000022900000000, -0.0001307600000000 ] - [ -0.0003938100000000, 0.0000000000000000, -0.0001274900000000 ] - [ -0.0000192600000000, -0.0000121400000000, 0.0001030900000000 ] - [ -0.0000192600000000, 0.0000121400000000, 0.0001030900000000 ] - [ -0.0000410900000000, 0.0000000000000000, 0.0000843600000000 ] - [ -0.0005678300000000, -0.0000098300000000, 0.0000604100000000 ] - [ -0.0005678300000000, 0.0000098300000000, 0.0000604100000000 ] - [ -0.0005832900000000, 0.0000000000000000, 0.0000669400000000 ] - [ 0.0002504300000000, 0.0006717100000000, 0.0006920400000000 ] - [ 0.0002504300000000, -0.0006717100000000, 0.0006920400000000 ] - [ 0.0001085900000000, 0.0000000000000000, 0.0000751500000000 ] - [ -0.0005895000000000, -0.0004635300000000, -0.0005342500000000 ] - [ -0.0005895000000000, 0.0004635300000000, -0.0005342500000000 ] - [ -0.0006329100000000, 0.0000000000000000, -0.0001600400000000 ] - [ -0.0246864600000000, 0.0000000000000000, -0.0027903500000000 ] - [ -0.0098514200000000, -0.0001988700000000, -0.0031472000000000 ] - [ -0.0098514200000000, 0.0001988700000000, -0.0031472000000000 ] - [ 0.0089943600000000, 0.0000000000000000, -0.0109824500000000 ] - [ -0.0107487100000000, 0.0007275800000000, 0.0047528600000000 ] - [ -0.0107487100000000, -0.0007275800000000, 0.0047528600000000 ] - [ -0.0219024600000000, 0.0000000000000000, 0.0082943100000000 ] - [ -0.0038576700000000, -0.0000748800000000, 0.0081073700000000 ] - [ -0.0038576700000000, 0.0000748800000000, 0.0081073700000000 ] - [ -0.0054372200000000, 0.0000000000000000, 0.0055122400000000 ] - [ -0.0059060200000000, 0.0000083300000000, 0.0050694600000000 ] - [ -0.0059060200000000, -0.0000083300000000, 0.0050694600000000 ] - [ -0.0063585700000000, 0.0000000000000000, 0.0058672000000000 ] - [ -0.0063944400000000, 0.0000115100000000, 0.0058505000000000 ] - [ -0.0063944400000000, -0.0000115100000000, 0.0058505000000000 ] - [ -0.0075253000000000, 0.0000000000000000, 0.0047987100000000 ] - [ -0.0075189000000000, -0.0000142900000000, 0.0048710400000000 ] - [ -0.0075189000000000, 0.0000142900000000, 0.0048710400000000 ] - [ -0.0069566000000000, 0.0000000000000000, 0.0038729500000000 ] - [ -0.0067911700000000, 0.0000391500000000, 0.0036205300000000 ] - [ -0.0067911700000000, -0.0000391500000000, 0.0036205300000000 ] - [ -0.0066180200000000, 0.0000000000000000, 0.0041109900000000 ] - [ -0.0068821000000000, 0.0000032800000000, 0.0045148500000000 ] - [ -0.0068821000000000, -0.0000032800000000, 0.0045148500000000 ] - [ 0.0055186600000000, 0.0000000000000000, 0.0095464000000000 ] - [ -0.0084459600000000, 0.0001211900000000, 0.0025602900000000 ] - [ -0.0084459600000000, -0.0001211900000000, 0.0025602900000000 ] - [ -0.0072399700000000, 0.0000000000000000, 0.0052174700000000 ] - [ -0.0070552200000000, 0.0000029600000000, 0.0052652500000000 ] - [ -0.0070552200000000, -0.0000029600000000, 0.0052652500000000 ]- atom: 70 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005777200000000, -0.0003514100000000, 0.0002311500000000 ] - [ -0.0005777200000000, 0.0003514100000000, 0.0002311500000000 ] - [ -0.0005483100000000, 0.0000000000000000, -0.0000466800000000 ] - [ -0.0003506700000000, -0.0019635900000000, -0.0001728000000000 ] - [ -0.0003506700000000, 0.0019635900000000, -0.0001728000000000 ] - [ -0.0001606600000000, 0.0000000000000000, 0.0000806800000000 ] - [ 0.0006839900000000, 0.0026136400000000, 0.0005958900000000 ] - [ 0.0006839900000000, -0.0026136400000000, 0.0005958900000000 ] - [ -0.0001446100000000, 0.0000000000000000, 0.0003329200000000 ] - [ 0.0045377900000000, 0.0000162400000000, -0.0036371000000000 ] - [ 0.0045377900000000, -0.0000162400000000, -0.0036371000000000 ] - [ 0.0044962600000000, 0.0000000000000000, -0.0036507000000000 ] - [ 0.0133125600000000, -0.0020565500000000, -0.0020186100000000 ] - [ 0.0133125600000000, 0.0020565500000000, -0.0020186100000000 ] - [ 0.0096533500000000, 0.0000000000000000, -0.0034486500000000 ] - [ 0.0001632200000000, -0.0002341500000000, -0.0073327500000000 ] - [ 0.0001632200000000, 0.0002341500000000, -0.0073327500000000 ] - [ 0.0013180000000000, 0.0000000000000000, -0.0072834100000000 ] - [ -0.0006291800000000, 0.0000000000000000, -0.0014439400000000 ] - [ -0.0006449300000000, -0.0000012200000000, -0.0012224300000000 ] - [ -0.0006449300000000, 0.0000012200000000, -0.0012224300000000 ] - [ 0.0020112100000000, 0.0000000000000000, 0.0003289200000000 ] - [ 0.0019976600000000, -0.0000042300000000, 0.0002559900000000 ] - [ 0.0019976600000000, 0.0000042300000000, 0.0002559900000000 ] - [ -0.0028417000000000, 0.0000000000000000, -0.0014366300000000 ] - [ -0.0003815300000000, 0.0000069700000000, -0.0020867300000000 ] - [ -0.0003815300000000, -0.0000069700000000, -0.0020867300000000 ] - [ 0.0017498700000000, 0.0000000000000000, 0.0002556000000000 ] - [ 0.0019190400000000, 0.0000303000000000, 0.0000928000000000 ] - [ 0.0019190400000000, -0.0000303000000000, 0.0000928000000000 ] - [ -0.0022674800000000, 0.0000000000000000, -0.0008029700000000 ] - [ -0.0000826200000000, 0.0001594900000000, -0.0011997100000000 ] - [ -0.0000826200000000, -0.0001594900000000, -0.0011997100000000 ] - [ 0.0022126600000000, 0.0000000000000000, -0.0000806400000000 ] - [ 0.0022778400000000, 0.0000011500000000, -0.0000676500000000 ] - [ 0.0022778400000000, -0.0000011500000000, -0.0000676500000000 ] - [ 0.0003207000000000, 0.0000000000000000, -0.0010617600000000 ] - [ 0.0003421000000000, 0.0000052100000000, -0.0011801300000000 ] - [ 0.0003421000000000, -0.0000052100000000, -0.0011801300000000 ] - [ -0.0018825500000000, 0.0000000000000000, -0.0025799600000000 ] - [ -0.0005098900000000, 0.0000561900000000, -0.0019694600000000 ] - [ -0.0005098900000000, -0.0000561900000000, -0.0019694600000000 ] - [ 0.0024466200000000, 0.0000000000000000, 0.0005707700000000 ] - [ 0.0025072400000000, -0.0000598300000000, 0.0006317700000000 ] - [ 0.0025072400000000, 0.0000598300000000, 0.0006317700000000 ] - [ -0.0005128300000000, 0.0000000000000000, -0.0011450500000000 ] - [ -0.0004846500000000, 0.0000015500000000, -0.0010850500000000 ] - [ -0.0004846500000000, -0.0000015500000000, -0.0010850500000000 ] - [ 0.0026730500000000, 0.0000000000000000, 0.0004510500000000 ] - [ 0.0026077600000000, 0.0000012800000000, 0.0004651000000000 ] - [ 0.0026077600000000, -0.0000012800000000, 0.0004651000000000 ] - [ 0.0000979100000000, 0.0000000000000000, -0.0014083300000000 ] - [ 0.0001390600000000, -0.0000024000000000, -0.0014498300000000 ] - [ 0.0001390600000000, 0.0000024000000000, -0.0014498300000000 ] - [ -0.0047483700000000, 0.0000000000000000, 0.0108096900000000 ] - [ 0.0030211200000000, -0.0001112500000000, -0.0002633300000000 ] - [ 0.0030211200000000, 0.0001112500000000, -0.0002633300000000 ] - [ -0.0024612800000000, 0.0000000000000000, -0.0014423900000000 ] - [ -0.0003455500000000, -0.0000241200000000, -0.0013250400000000 ] - [ -0.0003455500000000, 0.0000241200000000, -0.0013250400000000 ] - [ -0.0057505800000000, 0.0000000000000000, -0.0116742200000000 ] - [ 0.0015659800000000, -0.0000202600000000, -0.0003078200000000 ] - [ 0.0015659800000000, 0.0000202600000000, -0.0003078200000000 ] - [ -0.0045416000000000, 0.0000000000000000, -0.0010562100000000 ] - [ 0.0001438200000000, -0.0001923400000000, -0.0005832000000000 ] - [ 0.0001438200000000, 0.0001923400000000, -0.0005832000000000 ] - [ -0.0107724400000000, 0.0000000000000000, -0.0100959800000000 ] - [ 0.0022470100000000, 0.0000800900000000, -0.0002956200000000 ] - [ 0.0022470100000000, -0.0000800900000000, -0.0002956200000000 ] - [ 0.0493828700000000, 0.0000000000000000, -0.0133678000000000 ] - [ 0.0002744300000000, -0.0001123500000000, -0.0023486100000000 ] - [ 0.0002744300000000, 0.0001123500000000, -0.0023486100000000 ] - [ 0.0021727000000000, 0.0000000000000000, 0.0000172600000000 ] - [ 0.0024163500000000, 0.0000220800000000, 0.0001831100000000 ] - [ 0.0024163500000000, -0.0000220800000000, 0.0001831100000000 ] - [ -0.0146574500000000, 0.0000000000000000, 0.0130516300000000 ] - [ 0.0023237600000000, 0.0000961700000000, 0.0003543500000000 ] - [ 0.0023237600000000, -0.0000961700000000, 0.0003543500000000 ] - [ 0.0055304400000000, 0.0000290000000000, -0.0034445200000000 ] - [ 0.0055304400000000, -0.0000290000000000, -0.0034445200000000 ] - [ 0.0055285800000000, 0.0000000000000000, -0.0034421500000000 ] - [ 0.0047281800000000, -0.0000061700000000, -0.0034009600000000 ] - [ 0.0047281800000000, 0.0000061700000000, -0.0034009600000000 ] - [ 0.0046677800000000, 0.0000000000000000, -0.0034024800000000 ] - [ 0.0049178400000000, -0.0000688200000000, -0.0025680600000000 ] - [ 0.0049178400000000, 0.0000688200000000, -0.0025680600000000 ] - [ 0.0049390600000000, 0.0000000000000000, -0.0025793200000000 ] - [ 0.0101810200000000, -0.0008537700000000, -0.0014449300000000 ] - [ 0.0101810200000000, 0.0008537700000000, -0.0014449300000000 ] - [ 0.0069847300000000, 0.0000000000000000, -0.0006801600000000 ] - [ 0.0047173600000000, -0.0000169900000000, -0.0043083200000000 ] - [ 0.0047173600000000, 0.0000169900000000, -0.0043083200000000 ] - [ 0.0047173700000000, 0.0000000000000000, -0.0043101100000000 ] - [ 0.0051630300000000, -0.0000271000000000, -0.0039548700000000 ] - [ 0.0051630300000000, 0.0000271000000000, -0.0039548700000000 ] - [ 0.0051883400000000, 0.0000000000000000, -0.0039699000000000 ] - [ 0.0058054400000000, -0.0000465800000000, 0.0045105500000000 ] - [ 0.0058054400000000, 0.0000465800000000, 0.0045105500000000 ] - [ 0.0068266400000000, 0.0000000000000000, 0.0044039400000000 ] - [ 0.0004489400000000, 0.0006216800000000, -0.0004410300000000 ] - [ 0.0004489400000000, -0.0006216800000000, -0.0004410300000000 ] - [ 0.0004761500000000, 0.0000000000000000, 0.0001027300000000 ] - [ -0.0002870600000000, 0.0000055700000000, 0.0000550500000000 ] - [ -0.0002870600000000, -0.0000055700000000, 0.0000550500000000 ] - [ -0.0003074600000000, 0.0000000000000000, 0.0000629500000000 ] - [ -0.0003847600000000, 0.0000017700000000, -0.0002040900000000 ] - [ -0.0003847600000000, -0.0000017700000000, -0.0002040900000000 ] - [ -0.0003978300000000, 0.0000000000000000, -0.0002079700000000 ] - [ -0.0000557400000000, 0.0000109100000000, -0.0000033300000000 ] - [ -0.0000557400000000, -0.0000109100000000, -0.0000033300000000 ] - [ -0.0000333700000000, 0.0000000000000000, 0.0000146200000000 ] - [ -0.0005979400000000, 0.0000095500000000, 0.0000224600000000 ] - [ -0.0005979400000000, -0.0000095500000000, 0.0000224600000000 ] - [ -0.0005814300000000, 0.0000000000000000, 0.0000139000000000 ] - [ -0.0000576200000000, -0.0006647900000000, -0.0006240100000000 ] - [ -0.0000576200000000, 0.0006647900000000, -0.0006240100000000 ] - [ 0.0000742100000000, 0.0000000000000000, -0.0000142400000000 ] - [ -0.0006426900000000, 0.0004688700000000, 0.0002186600000000 ] - [ -0.0006426900000000, -0.0004688700000000, 0.0002186600000000 ] - [ -0.0005854300000000, 0.0000000000000000, -0.0001607200000000 ] - [ 0.0058081300000000, 0.0000000000000000, -0.0037657400000000 ] - [ -0.0090234400000000, 0.0001717800000000, -0.0034635300000000 ] - [ -0.0090234400000000, -0.0001717800000000, -0.0034635300000000 ] - [ -0.0311737200000000, 0.0000000000000000, 0.0206617500000000 ] - [ -0.0116108000000000, -0.0006847600000000, 0.0056011400000000 ] - [ -0.0116108000000000, 0.0006847600000000, 0.0056011400000000 ] - [ 0.0149809600000000, 0.0000000000000000, 0.0086006800000000 ] - [ -0.0030712500000000, 0.0000526800000000, 0.0088589300000000 ] - [ -0.0030712500000000, -0.0000526800000000, 0.0088589300000000 ] - [ -0.0064931100000000, 0.0000000000000000, 0.0044009300000000 ] - [ -0.0060293100000000, -0.0000003200000000, 0.0047676100000000 ] - [ -0.0060293100000000, 0.0000003200000000, 0.0047676100000000 ] - [ -0.0064335900000000, 0.0000000000000000, 0.0056732400000000 ] - [ -0.0063954300000000, -0.0000122900000000, 0.0056823200000000 ] - [ -0.0063954300000000, 0.0000122900000000, 0.0056823200000000 ] - [ -0.0075215300000000, 0.0000000000000000, 0.0047548200000000 ] - [ -0.0075259800000000, 0.0000181500000000, 0.0046842700000000 ] - [ -0.0075259800000000, -0.0000181500000000, 0.0046842700000000 ] - [ -0.0065563500000000, 0.0000000000000000, 0.0033697200000000 ] - [ -0.0067214400000000, -0.0000367100000000, 0.0036498900000000 ] - [ -0.0067214400000000, 0.0000367100000000, 0.0036498900000000 ] - [ -0.0072964000000000, 0.0000000000000000, 0.0048176700000000 ] - [ -0.0070281900000000, 0.0000001900000000, 0.0044494900000000 ] - [ -0.0070281900000000, -0.0000001900000000, 0.0044494900000000 ] - [ -0.0229503800000000, 0.0000000000000000, -0.0041543600000000 ] - [ -0.0090766900000000, -0.0001090600000000, 0.0024454900000000 ] - [ -0.0090766900000000, 0.0001090600000000, 0.0024454900000000 ] - [ -0.0067630300000000, 0.0000000000000000, 0.0051316400000000 ] - [ -0.0069443400000000, -0.0000056300000000, 0.0050502000000000 ] - [ -0.0069443400000000, 0.0000056300000000, 0.0050502000000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001636600000000, 0.0002407400000000, 0.0003112500000000 ] - [ -0.0009056500000000, 0.0002514600000000, -0.0004442600000000 ] - [ -0.0005360600000000, -0.0003949200000000, -0.0000672300000000 ] - [ 0.0016553200000000, 0.0004963000000000, -0.0002242000000000 ] - [ -0.0018232800000000, 0.0006187100000000, 0.0003200900000000 ] - [ -0.0001334500000000, -0.0007289200000000, 0.0000545400000000 ] - [ -0.0034999900000000, -0.0011774700000000, -0.0000228500000000 ] - [ 0.0031709100000000, -0.0011348800000000, 0.0006361100000000 ] - [ -0.0001547900000000, -0.0006800700000000, 0.0003094500000000 ] - [ 0.0043979900000000, -0.0003314600000000, -0.0040216300000000 ] - [ 0.0045758600000000, -0.0003584600000000, -0.0033833300000000 ] - [ 0.0044877000000000, 0.0011952100000000, -0.0036974200000000 ] - [ 0.0115161700000000, 0.0111294700000000, -0.0172926900000000 ] - [ 0.0077306700000000, 0.0112004200000000, 0.0105996600000000 ] - [ 0.0096351400000000, 0.0049804700000000, -0.0034392500000000 ] - [ 0.0012363100000000, -0.0010432500000000, -0.0074800200000000 ] - [ 0.0015230700000000, -0.0010689500000000, -0.0069435500000000 ] - [ 0.0013793000000000, 0.0019857700000000, -0.0072128900000000 ] - [ -0.0006436900000000, 0.0000000500000000, -0.0013142500000000 ] - [ -0.0006738300000000, 0.0001315000000000, -0.0009971600000000 ] - [ -0.0006205300000000, 0.0001346900000000, -0.0016069200000000 ] - [ 0.0019632100000000, -0.0001375700000000, 0.0002514000000000 ] - [ 0.0021664200000000, 0.0000878800000000, 0.0004577600000000 ] - [ 0.0017735300000000, 0.0000911500000000, 0.0000571600000000 ] - [ -0.0003190100000000, -0.0002187700000000, -0.0019836900000000 ] - [ -0.0002972800000000, 0.0001969700000000, -0.0013484200000000 ] - [ -0.0003393600000000, 0.0002012700000000, -0.0025947300000000 ] - [ 0.0019543600000000, -0.0003059600000000, 0.0000480900000000 ] - [ 0.0018108500000000, 0.0001075500000000, 0.0002870200000000 ] - [ 0.0020826900000000, 0.0001115200000000, -0.0001746900000000 ] - [ -0.0000295500000000, 0.0017165000000000, -0.0014579200000000 ] - [ -0.0002724200000000, 0.0016139300000000, 0.0014596800000000 ] - [ 0.0001694300000000, 0.0016087700000000, -0.0040765400000000 ] - [ 0.0022786700000000, -0.0000626900000000, -0.0000934900000000 ] - [ 0.0023042400000000, 0.0000297600000000, -0.0000949300000000 ] - [ 0.0022542800000000, 0.0000314100000000, -0.0000916200000000 ] - [ 0.0003432000000000, -0.0000906800000000, -0.0012391400000000 ] - [ 0.0003448200000000, 0.0000465100000000, -0.0010619400000000 ] - [ 0.0003421200000000, 0.0000483700000000, -0.0014074500000000 ] - [ -0.0004962600000000, 0.0009222900000000, -0.0018737300000000 ] - [ -0.0006490100000000, 0.0015094000000000, -0.0043073700000000 ] - [ -0.0003635600000000, 0.0014981600000000, 0.0003750200000000 ] - [ 0.0024777700000000, -0.0002557400000000, 0.0005402700000000 ] - [ 0.0026214800000000, 0.0001162200000000, 0.0003576500000000 ] - [ 0.0023453200000000, 0.0001191100000000, 0.0007164900000000 ] - [ -0.0004778700000000, -0.0000926300000000, -0.0011586900000000 ] - [ -0.0004851300000000, 0.0000473300000000, -0.0013258800000000 ] - [ -0.0004708400000000, 0.0000491800000000, -0.0009967200000000 ] - [ 0.0026073000000000, -0.0000649200000000, 0.0004406500000000 ] - [ 0.0025895300000000, 0.0000281700000000, 0.0004370800000000 ] - [ 0.0026215300000000, 0.0000295700000000, 0.0004445600000000 ] - [ 0.0001344100000000, 0.0000031800000000, -0.0015055100000000 ] - [ 0.0001093400000000, 0.0001358100000000, -0.0018360100000000 ] - [ 0.0001536600000000, 0.0001380100000000, -0.0011971200000000 ] - [ 0.0029111300000000, -0.0040352100000000, -0.0003292300000000 ] - [ 0.0039718600000000, 0.0007585500000000, -0.0007803600000000 ] - [ 0.0019124300000000, 0.0007584700000000, 0.0000752200000000 ] - [ -0.0002826600000000, -0.0002904800000000, -0.0014129100000000 ] - [ -0.0002542700000000, 0.0002020500000000, -0.0019727800000000 ] - [ -0.0003090500000000, 0.0002046500000000, -0.0008674500000000 ] - [ 0.0013682500000000, -0.0045172500000000, -0.0002027800000000 ] - [ 0.0027787000000000, 0.0008089600000000, 0.0001339700000000 ] - [ 0.0000635800000000, 0.0008105600000000, -0.0004927600000000 ] - [ 0.0004251500000000, -0.0011623500000000, -0.0004440600000000 ] - [ 0.0007264300000000, 0.0004132800000000, -0.0005064600000000 ] - [ 0.0001145500000000, 0.0004129300000000, -0.0003930300000000 ] - [ 0.0023700500000000, -0.0034005700000000, -0.0001547900000000 ] - [ 0.0014069700000000, 0.0007393700000000, -0.0004812000000000 ] - [ 0.0032796900000000, 0.0007387400000000, 0.0001471800000000 ] - [ -0.0001908000000000, -0.0482110300000000, -0.0018014500000000 ] - [ -0.0002383800000000, 0.0019664600000000, -0.0022879800000000 ] - [ -0.0000162500000000, 0.0019602200000000, -0.0018247400000000 ] - [ 0.0024371500000000, -0.0002801100000000, 0.0001885600000000 ] - [ 0.0022856700000000, 0.0001072300000000, -0.0000292900000000 ] - [ 0.0025722400000000, 0.0001098100000000, 0.0003961000000000 ] - [ 0.0024601600000000, -0.0043319600000000, 0.0002474000000000 ] - [ 0.0010991800000000, 0.0009273200000000, 0.0005428200000000 ] - [ 0.0037175900000000, 0.0009288500000000, -0.0000141000000000 ] - [ 0.0055237600000000, -0.0000756900000000, -0.0034612500000000 ] - [ 0.0055301400000000, -0.0000821400000000, -0.0034768800000000 ] - [ 0.0055270100000000, 0.0002679800000000, -0.0034690000000000 ] - [ 0.0046036800000000, -0.0002789800000000, -0.0030559100000000 ] - [ 0.0046956700000000, -0.0002989900000000, -0.0037601900000000 ] - [ 0.0046500900000000, 0.0010601700000000, -0.0034124600000000 ] - [ 0.0050114600000000, -0.0002434700000000, -0.0027162000000000 ] - [ 0.0048818800000000, -0.0002558800000000, -0.0024441700000000 ] - [ 0.0049466600000000, 0.0004982700000000, -0.0025791200000000 ] - [ 0.0081381300000000, 0.0087476100000000, 0.0113644000000000 ] - [ 0.0056843600000000, 0.0088625400000000, -0.0129102900000000 ] - [ 0.0069215000000000, 0.0041223800000000, -0.0006780900000000 ] - [ 0.0047161500000000, -0.0000878800000000, -0.0043332900000000 ] - [ 0.0047227000000000, -0.0000930800000000, -0.0043371900000000 ] - [ 0.0047196100000000, 0.0001823500000000, -0.0043352700000000 ] - [ 0.0051972400000000, -0.0002195800000000, -0.0038188500000000 ] - [ 0.0052066500000000, -0.0002269500000000, -0.0041832700000000 ] - [ 0.0052021000000000, 0.0004442200000000, -0.0040014800000000 ] - [ 0.0066931800000000, -0.0008867200000000, 0.0046218300000000 ] - [ 0.0070621300000000, -0.0009021400000000, 0.0041090300000000 ] - [ 0.0068774900000000, 0.0017134700000000, 0.0043661900000000 ] - [ -0.0005946300000000, 0.0005620000000000, 0.0010615500000000 ] - [ 0.0014524000000000, 0.0005889700000000, -0.0008511300000000 ] - [ 0.0004332000000000, -0.0008869000000000, 0.0001047800000000 ] - [ -0.0002690900000000, 0.0000938100000000, 0.0001767600000000 ] - [ -0.0003356200000000, 0.0001007900000000, 0.0000051200000000 ] - [ -0.0003028800000000, -0.0001931000000000, 0.0000894100000000 ] - [ -0.0003690600000000, 0.0000887900000000, -0.0002391300000000 ] - [ -0.0004220800000000, 0.0000934100000000, -0.0000958500000000 ] - [ -0.0003965700000000, -0.0001796400000000, -0.0001667600000000 ] - [ -0.0000673100000000, 0.0000909400000000, 0.0001372100000000 ] - [ -0.0000060700000000, 0.0000960100000000, -0.0000362100000000 ] - [ -0.0000357100000000, -0.0001820500000000, 0.0000488900000000 ] - [ -0.0006091300000000, 0.0000888300000000, -0.0000340500000000 ] - [ -0.0005544400000000, 0.0000934400000000, 0.0001167100000000 ] - [ -0.0005812600000000, -0.0001798000000000, 0.0000413500000000 ] - [ 0.0008338000000000, 0.0004563300000000, -0.0008595600000000 ] - [ -0.0006565000000000, 0.0004729800000000, 0.0009258700000000 ] - [ 0.0000874600000000, -0.0008125500000000, 0.0000328300000000 ] - [ -0.0014544500000000, 0.0004988200000000, -0.0009680700000000 ] - [ 0.0002420000000000, 0.0005165100000000, 0.0006523200000000 ] - [ -0.0006040800000000, -0.0008028800000000, -0.0001588200000000 ] - [ -0.0094349500000000, 0.0023057600000000, -0.0033091600000000 ] - [ -0.0095406400000000, -0.0010941100000000, -0.0024614300000000 ] - [ -0.0093347700000000, -0.0011029400000000, -0.0041500100000000 ] - [ -0.0111677500000000, 0.0217839300000000, 0.0047936900000000 ] - [ -0.0113628600000000, -0.0116500900000000, 0.0036408700000000 ] - [ -0.0109997300000000, -0.0116132500000000, 0.0066938300000000 ] - [ -0.0034631200000000, 0.0023391100000000, 0.0084780500000000 ] - [ -0.0036368300000000, -0.0011473600000000, 0.0076955600000000 ] - [ -0.0032929800000000, -0.0011651000000000, 0.0092676700000000 ] - [ -0.0059643600000000, 0.0009256000000000, 0.0049625900000000 ] - [ -0.0062236700000000, -0.0006071600000000, 0.0031367200000000 ] - [ -0.0057163500000000, -0.0006249800000000, 0.0066766900000000 ] - [ -0.0063957400000000, 0.0001580800000000, 0.0057711200000000 ] - [ -0.0064027000000000, -0.0000789000000000, 0.0057550000000000 ] - [ -0.0063876800000000, -0.0000819900000000, 0.0057797100000000 ] - [ -0.0075236000000000, 0.0000826200000000, 0.0047779400000000 ] - [ -0.0075183000000000, -0.0001407000000000, 0.0047743600000000 ] - [ -0.0075267200000000, -0.0001478100000000, 0.0047836700000000 ] - [ -0.0067565100000000, 0.0005203400000000, 0.0036463000000000 ] - [ -0.0067417800000000, -0.0002570300000000, 0.0031134500000000 ] - [ -0.0067712400000000, -0.0002694300000000, 0.0041568400000000 ] - [ -0.0069555400000000, 0.0008317800000000, 0.0044593700000000 ] - [ -0.0070486000000000, -0.0005661200000000, 0.0060237900000000 ] - [ -0.0068640700000000, -0.0005795600000000, 0.0029699900000000 ] - [ -0.0087543300000000, 0.0160935700000000, 0.0027193000000000 ] - [ -0.0088405100000000, -0.0085718500000000, 0.0043982000000000 ] - [ -0.0086851100000000, -0.0085115400000000, 0.0006347900000000 ] - [ -0.0070021700000000, 0.0005229200000000, 0.0051535300000000 ] - [ -0.0069455700000000, -0.0002617800000000, 0.0056039100000000 ] - [ -0.0070540800000000, -0.0002681500000000, 0.0047152900000000 ]- atom: 70 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0017118600000000, 0.0021455800000000, -0.0015473800000000 ] - [ -0.0017118600000000, -0.0021455800000000, -0.0015473800000000 ] - [ -0.0007779900000000, 0.0000000000000000, -0.0002551500000000 ] - [ 0.0008564500000000, -0.0012128900000000, 0.0067391500000000 ] - [ 0.0008564500000000, 0.0012128900000000, 0.0067391500000000 ] - [ -0.0002218700000000, 0.0000000000000000, 0.0021997400000000 ] - [ -0.0011181000000000, -0.0010240100000000, 0.0070044300000000 ] - [ -0.0011181000000000, 0.0010240100000000, 0.0070044300000000 ] - [ -0.0000796100000000, 0.0000000000000000, 0.0027346400000000 ] - [ 0.0046130800000000, -0.0043016700000000, -0.0004314800000000 ] - [ 0.0046130800000000, 0.0043016700000000, -0.0004314800000000 ] - [ 0.0044382400000000, 0.0000000000000000, -0.0019381600000000 ] - [ 0.0064482400000000, -0.0347584100000000, 0.0042815100000000 ] - [ 0.0064482400000000, 0.0347584100000000, 0.0042815100000000 ] - [ 0.0091242900000000, 0.0000000000000000, -0.0050022500000000 ] - [ 0.0015422200000000, -0.0057954500000000, -0.0092483600000000 ] - [ 0.0015422200000000, 0.0057954500000000, -0.0092483600000000 ] - [ 0.0012344100000000, 0.0000000000000000, -0.0085208800000000 ] - [ -0.0011091500000000, 0.0000000000000000, 0.0091445200000000 ] - [ -0.0006309100000000, 0.0004689700000000, 0.0041460900000000 ] - [ -0.0006309100000000, -0.0004689700000000, 0.0041460900000000 ] - [ 0.0053054600000000, 0.0000000000000000, 0.0037962000000000 ] - [ 0.0027219900000000, 0.0005703800000000, 0.0013724800000000 ] - [ 0.0027219900000000, -0.0005703800000000, 0.0013724800000000 ] - [ 0.0001438700000000, 0.0000000000000000, 0.0030424800000000 ] - [ -0.0007753000000000, 0.0009061300000000, -0.0023163000000000 ] - [ -0.0007753000000000, -0.0009061300000000, -0.0023163000000000 ] - [ -0.0005619900000000, 0.0000000000000000, 0.0042472800000000 ] - [ 0.0014059500000000, 0.0006942300000000, 0.0014061400000000 ] - [ 0.0014059500000000, -0.0006942300000000, 0.0014061400000000 ] - [ -0.0071581500000000, 0.0000000000000000, 0.0506272100000000 ] - [ 0.0001919300000000, 0.0029847800000000, 0.0009007100000000 ] - [ 0.0001919300000000, -0.0029847800000000, 0.0009007100000000 ] - [ 0.0024773300000000, 0.0000000000000000, 0.0025998000000000 ] - [ 0.0023943200000000, 0.0000197700000000, 0.0018051300000000 ] - [ 0.0023943200000000, -0.0000197700000000, 0.0018051300000000 ] - [ 0.0005690900000000, 0.0000000000000000, 0.0059779500000000 ] - [ 0.0004791200000000, 0.0002649800000000, 0.0033952400000000 ] - [ 0.0004791200000000, -0.0002649800000000, 0.0033952400000000 ] - [ 0.0023784200000000, 0.0000000000000000, 0.0318315200000000 ] - [ -0.0005020800000000, -0.0030594500000000, 0.0013084000000000 ] - [ -0.0005020800000000, 0.0030594500000000, 0.0013084000000000 ] - [ 0.0007550000000000, 0.0000000000000000, 0.0039215400000000 ] - [ 0.0019839800000000, -0.0007243900000000, 0.0020043100000000 ] - [ 0.0019839800000000, 0.0007243900000000, 0.0020043100000000 ] - [ -0.0004273800000000, 0.0000000000000000, 0.0057781400000000 ] - [ -0.0004820700000000, -0.0002031100000000, 0.0035026300000000 ] - [ -0.0004820700000000, 0.0002031100000000, 0.0035026300000000 ] - [ 0.0027458700000000, 0.0000000000000000, 0.0030633000000000 ] - [ 0.0026898600000000, 0.0000264000000000, 0.0023017200000000 ] - [ 0.0026898600000000, -0.0000264000000000, 0.0023017200000000 ] - [ 0.0005200800000000, 0.0000000000000000, 0.0088297800000000 ] - [ 0.0001784900000000, -0.0003355900000000, 0.0041099600000000 ] - [ 0.0001784900000000, 0.0003355900000000, 0.0041099600000000 ] - [ -0.0224173300000000, 0.0000000000000000, 0.0133094900000000 ] - [ 0.0007275200000000, -0.0019253500000000, -0.0018622000000000 ] - [ 0.0007275200000000, 0.0019253500000000, -0.0018622000000000 ] - [ -0.0014178900000000, 0.0000000000000000, 0.0032736800000000 ] - [ -0.0002442600000000, -0.0008543200000000, -0.0015716500000000 ] - [ -0.0002442600000000, 0.0008543200000000, -0.0015716500000000 ] - [ 0.0336361300000000, 0.0000000000000000, 0.0114146700000000 ] - [ 0.0032093400000000, 0.0017645300000000, -0.0015953200000000 ] - [ 0.0032093400000000, -0.0017645300000000, -0.0015953200000000 ] - [ -0.0000035900000000, 0.0000000000000000, -0.0235020000000000 ] - [ 0.0003931500000000, -0.0000462700000000, -0.0104052000000000 ] - [ 0.0003931500000000, 0.0000462700000000, -0.0104052000000000 ] - [ 0.0228543200000000, 0.0000000000000000, 0.0055338400000000 ] - [ 0.0041062900000000, -0.0017002100000000, -0.0019908500000000 ] - [ 0.0041062900000000, 0.0017002100000000, -0.0019908500000000 ] - [ 0.0122199400000000, 0.0000000000000000, -0.2745940500000000 ] - [ 0.0001722400000000, 0.0002221900000000, -0.0180318900000000 ] - [ 0.0001722400000000, -0.0002221900000000, -0.0180318900000000 ] - [ 0.0046717600000000, 0.0000000000000000, 0.0038814600000000 ] - [ 0.0031124900000000, -0.0005595900000000, 0.0015425600000000 ] - [ 0.0031124900000000, 0.0005595900000000, 0.0015425600000000 ] - [ -0.0229434500000000, 0.0000000000000000, 0.0033546400000000 ] - [ 0.0005830700000000, 0.0019343700000000, -0.0015426600000000 ] - [ 0.0005830700000000, -0.0019343700000000, -0.0015426600000000 ] - [ 0.0055253900000000, -0.0001248700000000, -0.0009949100000000 ] - [ 0.0055253900000000, 0.0001248700000000, -0.0009949100000000 ] - [ 0.0055282800000000, 0.0000000000000000, -0.0013974700000000 ] - [ 0.0046108200000000, 0.0029373400000000, -0.0003599500000000 ] - [ 0.0046108200000000, -0.0029373400000000, -0.0003599500000000 ] - [ 0.0047021900000000, 0.0000000000000000, -0.0015548700000000 ] - [ 0.0047991900000000, -0.0020998200000000, -0.0008334100000000 ] - [ 0.0047991900000000, 0.0020998200000000, -0.0008334100000000 ] - [ 0.0048716900000000, 0.0000000000000000, -0.0015226100000000 ] - [ 0.0088856800000000, 0.0288499200000000, 0.0094124700000000 ] - [ 0.0088856800000000, -0.0288499200000000, 0.0094124700000000 ] - [ 0.0071123700000000, 0.0000000000000000, -0.0025696100000000 ] - [ 0.0047185500000000, -0.0001027200000000, -0.0021918800000000 ] - [ 0.0047185500000000, 0.0001027200000000, -0.0021918800000000 ] - [ 0.0047122500000000, 0.0000000000000000, -0.0025282400000000 ] - [ 0.0051033200000000, 0.0015819800000000, -0.0021848200000000 ] - [ 0.0051033200000000, -0.0015819800000000, -0.0021848200000000 ] - [ 0.0051793200000000, 0.0000000000000000, -0.0029820700000000 ] - [ 0.0064012300000000, 0.0048908800000000, 0.0024790000000000 ] - [ 0.0064012300000000, -0.0048908800000000, 0.0024790000000000 ] - [ 0.0068498200000000, 0.0000000000000000, 0.0030336300000000 ] - [ 0.0037506700000000, 0.0040941200000000, -0.0024746100000000 ] - [ 0.0037506700000000, -0.0040941200000000, -0.0024746100000000 ] - [ 0.0011536600000000, 0.0000000000000000, -0.0001857600000000 ] - [ -0.0006394300000000, 0.0007584000000000, -0.0028916700000000 ] - [ -0.0006394300000000, -0.0007584000000000, -0.0028916700000000 ] - [ -0.0004615500000000, 0.0000000000000000, -0.0020520400000000 ] - [ -0.0001035300000000, -0.0005250700000000, -0.0031279600000000 ] - [ -0.0001035300000000, 0.0005250700000000, -0.0031279600000000 ] - [ -0.0002101300000000, 0.0000000000000000, -0.0024782100000000 ] - [ 0.0002430200000000, 0.0006920000000000, -0.0029894700000000 ] - [ 0.0002430200000000, -0.0006920000000000, -0.0029894700000000 ] - [ 0.0000898000000000, 0.0000000000000000, -0.0021882100000000 ] - [ -0.0008827100000000, -0.0005465600000000, -0.0029387800000000 ] - [ -0.0008827100000000, 0.0005465600000000, -0.0029387800000000 ] - [ -0.0007763000000000, 0.0000000000000000, -0.0022795000000000 ] - [ 0.0025113500000000, -0.0039377500000000, -0.0035125700000000 ] - [ 0.0025113500000000, 0.0039377500000000, -0.0035125700000000 ] - [ 0.0007810700000000, 0.0000000000000000, -0.0005678600000000 ] - [ -0.0034508800000000, -0.0032136700000000, -0.0028160100000000 ] - [ -0.0034508800000000, 0.0032136700000000, -0.0028160100000000 ] - [ -0.0014383900000000, 0.0000000000000000, -0.0006009300000000 ] - [ -0.0068687100000000, 0.0000000000000000, 0.0109891600000000 ] - [ -0.0098438700000000, 0.0039887900000000, 0.0045347900000000 ] - [ -0.0098438700000000, -0.0039887900000000, 0.0045347900000000 ] - [ -0.0134456700000000, 0.0000000000000000, 0.1176212400000000 ] - [ -0.0127630600000000, -0.0198960800000000, 0.0165169700000000 ] - [ -0.0127630600000000, 0.0198960800000000, 0.0165169700000000 ] - [ -0.0076792100000000, 0.0000000000000000, 0.0243441800000000 ] - [ -0.0026021900000000, -0.0045735000000000, 0.0165710700000000 ] - [ -0.0026021900000000, 0.0045735000000000, 0.0165710700000000 ] - [ -0.0087410500000000, 0.0000000000000000, -0.0175265500000000 ] - [ -0.0067087600000000, -0.0031023400000000, -0.0004061600000000 ] - [ -0.0067087600000000, 0.0031023400000000, -0.0004061600000000 ] - [ -0.0067031800000000, 0.0000000000000000, -0.0030765600000000 ] - [ -0.0065681800000000, -0.0000814000000000, -0.0004462200000000 ] - [ -0.0065681800000000, 0.0000814000000000, -0.0004462200000000 ] - [ -0.0077044600000000, 0.0000000000000000, -0.0063336600000000 ] - [ -0.0076536600000000, -0.0000925900000000, -0.0023969700000000 ] - [ -0.0076536600000000, 0.0000925900000000, -0.0023969700000000 ] - [ -0.0065448000000000, 0.0000000000000000, -0.0052495000000000 ] - [ -0.0065876400000000, -0.0018054800000000, 0.0001766300000000 ] - [ -0.0065876400000000, 0.0018054800000000, 0.0001766300000000 ] - [ -0.0066279600000000, 0.0000000000000000, -0.0140950600000000 ] - [ -0.0069517000000000, 0.0022329400000000, -0.0017840300000000 ] - [ -0.0069517000000000, -0.0022329400000000, -0.0017840300000000 ] - [ -0.0107232300000000, 0.0000000000000000, 0.0007452600000000 ] - [ -0.0076984600000000, 0.0166836800000000, 0.0115427500000000 ] - [ -0.0076984600000000, -0.0166836800000000, 0.0115427500000000 ] - [ -0.0076486200000000, 0.0000000000000000, -0.0033114200000000 ] - [ -0.0071217900000000, 0.0014779200000000, 0.0013471800000000 ] - [ -0.0071217900000000, -0.0014779200000000, 0.0013471800000000 ]- atom: 70 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ 0.0006402400000000, -0.0021445000000000, 0.0014341300000000 ] - [ 0.0006402400000000, 0.0021445000000000, 0.0014341300000000 ] - [ -0.0002923000000000, 0.0000000000000000, 0.0001325700000000 ] - [ -0.0010206500000000, 0.0010838300000000, -0.0066839100000000 ] - [ -0.0010206500000000, -0.0010838300000000, -0.0066839100000000 ] - [ -0.0000426400000000, 0.0000000000000000, -0.0020972800000000 ] - [ 0.0006966700000000, 0.0009046600000000, -0.0064316800000000 ] - [ 0.0006966700000000, -0.0009046600000000, -0.0064316800000000 ] - [ -0.0002321700000000, 0.0000000000000000, -0.0021301700000000 ] - [ 0.0043583300000000, 0.0042707300000000, -0.0069759200000000 ] - [ 0.0043583300000000, -0.0042707300000000, -0.0069759200000000 ] - [ 0.0045345900000000, 0.0000000000000000, -0.0054753900000000 ] - [ 0.0128253700000000, 0.0346686900000000, -0.0113436500000000 ] - [ 0.0128253700000000, -0.0346686900000000, -0.0113436500000000 ] - [ 0.0101495300000000, 0.0000000000000000, -0.0018963900000000 ] - [ 0.0012186200000000, 0.0058362500000000, -0.0051952300000000 ] - [ 0.0012186200000000, -0.0058362500000000, -0.0051952300000000 ] - [ 0.0015236700000000, 0.0000000000000000, -0.0059121700000000 ] - [ -0.0001932400000000, 0.0000000000000000, -0.0117566000000000 ] - [ -0.0006630400000000, -0.0004658100000000, -0.0067785200000000 ] - [ -0.0006630400000000, 0.0004658100000000, -0.0067785200000000 ] - [ -0.0013202200000000, 0.0000000000000000, -0.0032901500000000 ] - [ 0.0012196000000000, -0.0005685100000000, -0.0008704400000000 ] - [ 0.0012196000000000, 0.0005685100000000, -0.0008704400000000 ] - [ -0.0007664100000000, 0.0000000000000000, -0.0070840100000000 ] - [ 0.0001366200000000, -0.0009095500000000, -0.0016755200000000 ] - [ 0.0001366200000000, 0.0009095500000000, -0.0016755200000000 ] - [ 0.0044317100000000, 0.0000000000000000, -0.0041484000000000 ] - [ 0.0024863100000000, -0.0006928300000000, -0.0013094600000000 ] - [ 0.0024863100000000, 0.0006928300000000, -0.0013094600000000 ] - [ 0.0069442600000000, 0.0000000000000000, -0.0526524300000000 ] - [ -0.0002929400000000, -0.0029960300000000, -0.0036035100000000 ] - [ -0.0002929400000000, 0.0029960300000000, -0.0036035100000000 ] - [ 0.0020856900000000, 0.0000000000000000, -0.0027952800000000 ] - [ 0.0021657200000000, -0.0000180600000000, -0.0019981200000000 ] - [ 0.0021657200000000, 0.0000180600000000, -0.0019981200000000 ] - [ 0.0001210000000000, 0.0000000000000000, -0.0084758300000000 ] - [ 0.0002084900000000, -0.0002640200000000, -0.0058918200000000 ] - [ 0.0002084900000000, 0.0002640200000000, -0.0058918200000000 ] - [ -0.0034273900000000, 0.0000000000000000, -0.0362393200000000 ] - [ -0.0005092300000000, 0.0030788900000000, -0.0052084600000000 ] - [ -0.0005092300000000, -0.0030788900000000, -0.0052084600000000 ] - [ 0.0042408100000000, 0.0000000000000000, -0.0028657100000000 ] - [ 0.0029877400000000, 0.0007301900000000, -0.0009281600000000 ] - [ 0.0029877400000000, -0.0007301900000000, -0.0009281600000000 ] - [ -0.0005262000000000, 0.0000000000000000, -0.0081214500000000 ] - [ -0.0004728800000000, 0.0002051000000000, -0.0058317500000000 ] - [ -0.0004728800000000, -0.0002051000000000, -0.0058317500000000 ] - [ 0.0024630700000000, 0.0000000000000000, -0.0021910600000000 ] - [ 0.0025190600000000, -0.0000246500000000, -0.0014268600000000 ] - [ 0.0025190600000000, 0.0000246500000000, -0.0014268600000000 ] - [ -0.0002630500000000, 0.0000000000000000, -0.0119190400000000 ] - [ 0.0000847200000000, 0.0003407400000000, -0.0071560200000000 ] - [ 0.0000847200000000, -0.0003407400000000, -0.0071560200000000 ] - [ 0.0287558100000000, 0.0000000000000000, -0.0140979000000000 ] - [ 0.0051686100000000, 0.0019276900000000, 0.0011820700000000 ] - [ 0.0051686100000000, -0.0019276900000000, 0.0011820700000000 ] - [ 0.0008825500000000, 0.0000000000000000, -0.0060918000000000 ] - [ -0.0003198800000000, 0.0008576200000000, -0.0012302000000000 ] - [ -0.0003198800000000, -0.0008576200000000, -0.0012302000000000 ] - [ -0.0305267200000000, 0.0000000000000000, -0.0118310200000000 ] - [ -0.0003861300000000, -0.0017806800000000, 0.0012256400000000 ] - [ -0.0003861300000000, 0.0017806800000000, 0.0012256400000000 ] - [ 0.0007953000000000, 0.0000000000000000, 0.0227024200000000 ] - [ 0.0004359100000000, 0.0000341100000000, 0.0095479200000000 ] - [ 0.0004359100000000, -0.0000341100000000, 0.0095479200000000 ] - [ -0.0182783800000000, 0.0000000000000000, -0.0057651000000000 ] - [ 0.0005766700000000, 0.0017006900000000, 0.0016825100000000 ] - [ 0.0005766700000000, -0.0017006900000000, 0.0016825100000000 ] - [ -0.0110027500000000, 0.0000000000000000, 0.2639809500000000 ] - [ -0.0004168600000000, -0.0002412300000000, 0.0139707100000000 ] - [ -0.0004168600000000, 0.0002412300000000, 0.0139707100000000 ] - [ 0.0001645400000000, 0.0000000000000000, -0.0035320100000000 ] - [ 0.0017408500000000, 0.0005641000000000, -0.0011728200000000 ] - [ 0.0017408500000000, -0.0005641000000000, -0.0011728200000000 ] - [ 0.0278249400000000, 0.0000000000000000, -0.0030509100000000 ] - [ 0.0042539100000000, -0.0019513000000000, 0.0020603000000000 ] - [ 0.0042539100000000, 0.0019513000000000, 0.0020603000000000 ] - [ 0.0055284000000000, 0.0001160500000000, -0.0059517700000000 ] - [ 0.0055284000000000, -0.0001160500000000, -0.0059517700000000 ] - [ 0.0055252000000000, 0.0000000000000000, -0.0055482900000000 ] - [ 0.0046884700000000, -0.0029723400000000, -0.0064742400000000 ] - [ 0.0046884700000000, 0.0029723400000000, -0.0064742400000000 ] - [ 0.0045967000000000, 0.0000000000000000, -0.0052670700000000 ] - [ 0.0050974900000000, 0.0020969800000000, -0.0043416800000000 ] - [ 0.0050974900000000, -0.0020969800000000, -0.0043416800000000 ] - [ 0.0050232100000000, 0.0000000000000000, -0.0036492300000000 ] - [ 0.0049395300000000, -0.0292156300000000, -0.0107235800000000 ] - [ 0.0049395300000000, 0.0292156300000000, -0.0107235800000000 ] - [ 0.0067297700000000, 0.0000000000000000, 0.0012410100000000 ] - [ 0.0047203900000000, 0.0000978300000000, -0.0064858400000000 ] - [ 0.0047203900000000, -0.0000978300000000, -0.0064858400000000 ] - [ 0.0047267900000000, 0.0000000000000000, -0.0061489400000000 ] - [ 0.0053022200000000, -0.0015961100000000, -0.0058169300000000 ] - [ 0.0053022200000000, 0.0015961100000000, -0.0058169300000000 ] - [ 0.0052254100000000, 0.0000000000000000, -0.0050163600000000 ] - [ 0.0073603000000000, -0.0048996100000000, 0.0062874600000000 ] - [ 0.0073603000000000, 0.0048996100000000, 0.0062874600000000 ] - [ 0.0069061900000000, 0.0000000000000000, 0.0057150500000000 ] - [ -0.0028819700000000, -0.0040925200000000, 0.0027356000000000 ] - [ -0.0028819700000000, 0.0040925200000000, 0.0027356000000000 ] - [ -0.0002923600000000, 0.0000000000000000, 0.0004187100000000 ] - [ 0.0000305300000000, -0.0007547200000000, 0.0030794600000000 ] - [ 0.0000305300000000, 0.0007547200000000, 0.0030794600000000 ] - [ -0.0001443400000000, 0.0000000000000000, 0.0022423400000000 ] - [ -0.0006926500000000, 0.0005317300000000, 0.0028022300000000 ] - [ -0.0006926500000000, -0.0005317300000000, 0.0028022300000000 ] - [ -0.0005849800000000, 0.0000000000000000, 0.0021482400000000 ] - [ -0.0003116200000000, -0.0006880600000000, 0.0030988200000000 ] - [ -0.0003116200000000, 0.0006880600000000, 0.0030988200000000 ] - [ -0.0001601900000000, 0.0000000000000000, 0.0022980600000000 ] - [ -0.0002755900000000, 0.0005534300000000, 0.0030306700000000 ] - [ -0.0002755900000000, -0.0005534300000000, 0.0030306700000000 ] - [ -0.0003839300000000, 0.0000000000000000, 0.0023655400000000 ] - [ -0.0023544800000000, 0.0039724100000000, 0.0035680900000000 ] - [ -0.0023544800000000, -0.0039724100000000, 0.0035680900000000 ] - [ -0.0006087900000000, 0.0000000000000000, 0.0006155600000000 ] - [ 0.0022645800000000, 0.0032369600000000, 0.0024800100000000 ] - [ 0.0022645800000000, -0.0032369600000000, 0.0024800100000000 ] - [ 0.0002331800000000, 0.0000000000000000, 0.0002673500000000 ] - [ -0.0121482900000000, 0.0000000000000000, -0.0178308800000000 ] - [ -0.0090286000000000, -0.0039825000000000, -0.0112342300000000 ] - [ -0.0090286000000000, 0.0039825000000000, -0.0112342300000000 ] - [ -0.0101361600000000, 0.0000000000000000, -0.0962162000000000 ] - [ -0.0096001800000000, 0.0200023600000000, -0.0061313300000000 ] - [ -0.0096001800000000, -0.0200023600000000, -0.0061313300000000 ] - [ 0.0006353400000000, 0.0000000000000000, -0.0072637300000000 ] - [ -0.0043227700000000, 0.0046196000000000, 0.0004163600000000 ] - [ -0.0043227700000000, -0.0046196000000000, 0.0004163600000000 ] - [ -0.0032039000000000, 0.0000000000000000, 0.0273084700000000 ] - [ -0.0052228700000000, 0.0030832400000000, 0.0102890900000000 ] - [ -0.0052228700000000, -0.0030832400000000, 0.0102890900000000 ] - [ -0.0060888100000000, 0.0000000000000000, 0.0146460500000000 ] - [ -0.0062214400000000, 0.0000758500000000, 0.0120031400000000 ] - [ -0.0062214400000000, -0.0000758500000000, 0.0120031400000000 ] - [ -0.0073378000000000, 0.0000000000000000, 0.0159220800000000 ] - [ -0.0073914800000000, 0.0000885900000000, 0.0119806300000000 ] - [ -0.0073914800000000, -0.0000885900000000, 0.0119806300000000 ] - [ -0.0069798400000000, 0.0000000000000000, 0.0126020100000000 ] - [ -0.0069291500000000, 0.0018063000000000, 0.0071434400000000 ] - [ -0.0069291500000000, -0.0018063000000000, 0.0071434400000000 ] - [ -0.0072842400000000, 0.0000000000000000, 0.0232239200000000 ] - [ -0.0069605500000000, -0.0022591500000000, 0.0107678300000000 ] - [ -0.0069605500000000, 0.0022591500000000, 0.0107678300000000 ] - [ -0.0072698100000000, 0.0000000000000000, 0.0003794000000000 ] - [ -0.0098363400000000, -0.0167788600000000, -0.0066127500000000 ] - [ -0.0098363400000000, 0.0167788600000000, -0.0066127500000000 ] - [ -0.0063542000000000, 0.0000000000000000, 0.0136372900000000 ] - [ -0.0068791500000000, -0.0014893000000000, 0.0089548000000000 ] - [ -0.0068791500000000, 0.0014893000000000, 0.0089548000000000 ]- atom: 73 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005923700000000, -0.0000045500000000, -0.0000945700000000 ] - [ -0.0005923700000000, 0.0000045500000000, -0.0000945700000000 ] - [ -0.0005817200000000, 0.0000000000000000, -0.0000906400000000 ] - [ -0.0004091200000000, 0.0000197800000000, -0.0000106800000000 ] - [ -0.0004091200000000, -0.0000197800000000, -0.0000106800000000 ] - [ -0.0002856500000000, 0.0000000000000000, 0.0000210400000000 ] - [ 0.0000861400000000, -0.0000344000000000, 0.0002614200000000 ] - [ 0.0000861400000000, 0.0000344000000000, 0.0002614200000000 ] - [ -0.0000315300000000, 0.0000000000000000, 0.0002727500000000 ] - [ 0.0044601700000000, -0.0000622200000000, -0.0037558300000000 ] - [ 0.0044601700000000, 0.0000622200000000, -0.0037558300000000 ] - [ 0.0044670100000000, 0.0000000000000000, -0.0037535900000000 ] - [ 0.0095870000000000, -0.0000978700000000, -0.0033034200000000 ] - [ 0.0095870000000000, 0.0000978700000000, -0.0033034200000000 ] - [ 0.0095961000000000, 0.0000000000000000, -0.0033353000000000 ] - [ 0.0013658900000000, 0.0000992900000000, -0.0072790300000000 ] - [ 0.0013658900000000, -0.0000992900000000, -0.0072790300000000 ] - [ 0.0013694700000000, 0.0000000000000000, -0.0072517800000000 ] - [ -0.0005776300000000, 0.0000000000000000, -0.0030687500000000 ] - [ -0.0006451200000000, 0.0001408400000000, -0.0018010300000000 ] - [ -0.0006451200000000, -0.0001408400000000, -0.0018010300000000 ] - [ 0.0023014100000000, 0.0000000000000000, 0.0003576300000000 ] - [ 0.0021760900000000, -0.0000048700000000, 0.0002867900000000 ] - [ 0.0021760900000000, 0.0000048700000000, 0.0002867900000000 ] - [ -0.0002675600000000, 0.0000000000000000, -0.0017961700000000 ] - [ -0.0003298500000000, -0.0000258900000000, -0.0018580100000000 ] - [ -0.0003298500000000, 0.0000258900000000, -0.0018580100000000 ] - [ 0.0016672400000000, 0.0000000000000000, 0.0001529400000000 ] - [ 0.0017637300000000, -0.0000181500000000, 0.0000917800000000 ] - [ 0.0017637300000000, 0.0000181500000000, 0.0000917800000000 ] - [ -0.0002072500000000, 0.0000000000000000, -0.0010887800000000 ] - [ -0.0001060900000000, 0.0000172600000000, -0.0011775500000000 ] - [ -0.0001060900000000, -0.0000172600000000, -0.0011775500000000 ] - [ 0.0093850600000000, 0.0000000000000000, 0.0000656600000000 ] - [ 0.0032154300000000, -0.0000399000000000, -0.0000627400000000 ] - [ 0.0032154300000000, 0.0000399000000000, -0.0000627400000000 ] - [ 0.0009299300000000, 0.0000000000000000, 0.0010775900000000 ] - [ 0.0004179500000000, -0.0001974900000000, -0.0005807200000000 ] - [ 0.0004179500000000, 0.0001974900000000, -0.0005807200000000 ] - [ 0.0118562700000000, 0.0000000000000000, 0.0236899800000000 ] - [ -0.0007043600000000, 0.0010162900000000, -0.0006703000000000 ] - [ -0.0007043600000000, -0.0010162900000000, -0.0006703000000000 ] - [ 0.0702667200000000, 0.0000000000000000, 0.0009467800000000 ] - [ 0.0088518000000000, 0.0001124000000000, 0.0005121000000000 ] - [ 0.0088518000000000, -0.0001124000000000, 0.0005121000000000 ] - [ 0.0140186900000000, 0.0000000000000000, 0.0296192600000000 ] - [ -0.0003907000000000, -0.0010437700000000, 0.0007104800000000 ] - [ -0.0003907000000000, 0.0010437700000000, 0.0007104800000000 ] - [ -0.0025890200000000, 0.0000000000000000, 0.0006921500000000 ] - [ 0.0016535700000000, 0.0001685300000000, 0.0002565400000000 ] - [ 0.0016535700000000, -0.0001685300000000, 0.0002565400000000 ] - [ 0.0161514700000000, 0.0000000000000000, -0.0277850900000000 ] - [ 0.0001160500000000, 0.0009731300000000, -0.0032528500000000 ] - [ 0.0001160500000000, -0.0009731300000000, -0.0032528500000000 ] - [ 0.0102325500000000, 0.0000000000000000, -0.0004621400000000 ] - [ 0.0039539600000000, 0.0000351900000000, -0.0003567500000000 ] - [ 0.0039539600000000, -0.0000351900000000, -0.0003567500000000 ] - [ 0.0094794500000000, 0.0000000000000000, -0.0273624800000000 ] - [ -0.0004528800000000, -0.0009004800000000, -0.0033141500000000 ] - [ -0.0004528800000000, 0.0009004800000000, -0.0033141500000000 ] - [ 0.0018425700000000, 0.0000000000000000, -0.0001448400000000 ] - [ 0.0016451600000000, -0.0000006100000000, -0.0001443100000000 ] - [ 0.0016451600000000, 0.0000006100000000, -0.0001443100000000 ] - [ 0.0013453400000000, 0.0000000000000000, -0.0024520700000000 ] - [ 0.0005318500000000, -0.0001405800000000, -0.0009295300000000 ] - [ 0.0005318500000000, 0.0001405800000000, -0.0009295300000000 ] - [ -0.0022350500000000, 0.0000000000000000, -0.0004671600000000 ] - [ 0.0014181100000000, 0.0001117600000000, -0.0000987500000000 ] - [ 0.0014181100000000, -0.0001117600000000, -0.0000987500000000 ] - [ 0.0001456000000000, 0.0000000000000000, 0.0001987800000000 ] - [ -0.0001109200000000, 0.0001434100000000, -0.0013784500000000 ] - [ -0.0001109200000000, -0.0001434100000000, -0.0013784500000000 ] - [ -0.2031752700000000, 0.0000000000000000, 0.0006506500000000 ] - [ -0.0031342700000000, -0.0001668400000000, 0.0001364300000000 ] - [ -0.0031342700000000, 0.0001668400000000, 0.0001364300000000 ] - [ 0.0020085800000000, 0.0000000000000000, 0.0002869600000000 ] - [ 0.0021926200000000, -0.0000022800000000, 0.0003008600000000 ] - [ 0.0021926200000000, 0.0000022800000000, 0.0003008600000000 ] - [ 0.0054992300000000, -0.0014254600000000, -0.0046720800000000 ] - [ 0.0054992300000000, 0.0014254600000000, -0.0046720800000000 ] - [ 0.0054638100000000, 0.0000000000000000, -0.0038353800000000 ] - [ 0.0178935800000000, -0.0239667200000000, -0.0024176200000000 ] - [ 0.0178935800000000, 0.0239667200000000, -0.0024176200000000 ] - [ 0.0046127300000000, 0.0000000000000000, -0.0032927000000000 ] - [ 0.0049433000000000, 0.0001307600000000, -0.0024230200000000 ] - [ 0.0049433000000000, -0.0001307600000000, -0.0024230200000000 ] - [ 0.0049457900000000, 0.0000000000000000, -0.0024537200000000 ] - [ 0.0069503700000000, -0.0017866700000000, 0.0003072100000000 ] - [ 0.0069503700000000, 0.0017866700000000, 0.0003072100000000 ] - [ 0.0068930700000000, 0.0000000000000000, -0.0003556400000000 ] - [ 0.0047147800000000, 0.0019381000000000, -0.0030189600000000 ] - [ 0.0047147800000000, -0.0019381000000000, -0.0030189600000000 ] - [ 0.0047523900000000, 0.0000000000000000, -0.0038951900000000 ] - [ 0.0166949800000000, 0.0268610300000000, -0.0052581700000000 ] - [ 0.0166949800000000, -0.0268610300000000, -0.0052581700000000 ] - [ 0.0058943300000000, 0.0000000000000000, -0.0043154900000000 ] - [ 0.0070453200000000, 0.0015992600000000, 0.0033935800000000 ] - [ 0.0070453200000000, -0.0015992600000000, 0.0033935800000000 ] - [ 0.0070022500000000, 0.0000000000000000, 0.0039842600000000 ] - [ 0.0005868800000000, -0.0000091900000000, 0.0000431500000000 ] - [ 0.0005868800000000, 0.0000091900000000, 0.0000431500000000 ] - [ 0.0005565700000000, 0.0000000000000000, 0.0000513700000000 ] - [ -0.0008456400000000, -0.0000104900000000, 0.0000683600000000 ] - [ -0.0008456400000000, 0.0000104900000000, 0.0000683600000000 ] - [ -0.0006097500000000, 0.0000000000000000, 0.0000705200000000 ] - [ -0.0064020900000000, -0.0003595000000000, -0.0003170000000000 ] - [ -0.0064020900000000, 0.0003595000000000, -0.0003170000000000 ] - [ -0.0014134700000000, 0.0000000000000000, -0.0000641500000000 ] - [ 0.0004857200000000, -0.0001232100000000, -0.0000219600000000 ] - [ 0.0004857200000000, 0.0001232100000000, -0.0000219600000000 ] - [ 0.0002512500000000, 0.0000000000000000, 0.0000401700000000 ] - [ 0.0078787000000000, 0.0018191000000000, 0.0019735100000000 ] - [ 0.0078787000000000, -0.0018191000000000, 0.0019735100000000 ] - [ 0.0003869500000000, 0.0000000000000000, -0.0001052000000000 ] - [ -0.0048427000000000, 0.0001639900000000, 0.0002022700000000 ] - [ -0.0048427000000000, -0.0001639900000000, 0.0002022700000000 ] - [ -0.0007227900000000, 0.0000000000000000, 0.0000767000000000 ] - [ 0.0075610200000000, 0.0021890200000000, -0.0019721300000000 ] - [ 0.0075610200000000, -0.0021890200000000, -0.0019721300000000 ] - [ 0.0003693700000000, 0.0000000000000000, 0.0001146000000000 ] - [ -0.0115606000000000, 0.0000000000000000, 0.0098598200000000 ] - [ -0.0095670000000000, 0.0009704600000000, -0.0019002200000000 ] - [ -0.0095670000000000, -0.0009704600000000, -0.0019002200000000 ] - [ -0.0110401500000000, 0.0000000000000000, 0.0041416600000000 ] - [ -0.0111314000000000, -0.0000664600000000, 0.0046460700000000 ] - [ -0.0111314000000000, 0.0000664600000000, 0.0046460700000000 ] - [ -0.0034725600000000, 0.0000000000000000, 0.0091282700000000 ] - [ -0.0034485300000000, 0.0000748000000000, 0.0086564000000000 ] - [ -0.0034485300000000, -0.0000748000000000, 0.0086564000000000 ] - [ -0.0059178000000000, 0.0000000000000000, 0.0052002700000000 ] - [ -0.0059908900000000, -0.0000223900000000, 0.0050628400000000 ] - [ -0.0059908900000000, 0.0000223900000000, 0.0050628400000000 ] - [ -0.0063325600000000, 0.0000000000000000, -0.0095991000000000 ] - [ -0.0061902500000000, 0.0011473600000000, 0.0043912500000000 ] - [ -0.0061902500000000, -0.0011473600000000, 0.0043912500000000 ] - [ -0.0085107300000000, 0.0000000000000000, 0.0179109500000000 ] - [ -0.0077580900000000, -0.0008950800000000, 0.0060196300000000 ] - [ -0.0077580900000000, 0.0008950800000000, 0.0060196300000000 ] - [ -0.0067233200000000, 0.0000000000000000, 0.0027193200000000 ] - [ -0.0067293000000000, 0.0000808200000000, 0.0032135300000000 ] - [ -0.0067293000000000, -0.0000808200000000, 0.0032135300000000 ] - [ -0.0300657100000000, 0.0000000000000000, 0.0002026800000000 ] - [ -0.0072847100000000, -0.0120591500000000, 0.0048565500000000 ] - [ -0.0072847100000000, 0.0120591500000000, 0.0048565500000000 ] - [ -0.0106404900000000, 0.0000000000000000, -0.0097457100000000 ] - [ -0.0090526900000000, -0.0011257300000000, 0.0013320700000000 ] - [ -0.0090526900000000, 0.0011257300000000, 0.0013320700000000 ] - [ 0.0366075000000000, 0.0000000000000000, 0.0057172700000000 ] - [ -0.0064898600000000, 0.0131800000000000, 0.0050825800000000 ] - [ -0.0064898600000000, -0.0131800000000000, 0.0050825800000000 ]- atom: 73 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0004786600000000, 0.0000053700000000, -0.0000356700000000 ] - [ -0.0004786600000000, -0.0000053700000000, -0.0000356700000000 ] - [ -0.0004892500000000, 0.0000000000000000, -0.0000394100000000 ] - [ 0.0001427000000000, -0.0000188900000000, 0.0001287500000000 ] - [ 0.0001427000000000, 0.0000188900000000, 0.0001287500000000 ] - [ 0.0000199200000000, 0.0000000000000000, 0.0000969100000000 ] - [ -0.0003967700000000, 0.0000345200000000, 0.0003644400000000 ] - [ -0.0003967700000000, -0.0000345200000000, 0.0003644400000000 ] - [ -0.0002793100000000, 0.0000000000000000, 0.0003511000000000 ] - [ 0.0045134600000000, 0.0000554900000000, -0.0036462500000000 ] - [ 0.0045134600000000, -0.0000554900000000, -0.0036462500000000 ] - [ 0.0045068600000000, 0.0000000000000000, -0.0036466800000000 ] - [ 0.0096856100000000, 0.0000949800000000, -0.0035867300000000 ] - [ 0.0096856100000000, -0.0000949800000000, -0.0035867300000000 ] - [ 0.0096765700000000, 0.0000000000000000, -0.0035549500000000 ] - [ 0.0013921300000000, -0.0001012700000000, -0.0071531100000000 ] - [ 0.0013921300000000, 0.0001012700000000, -0.0071531100000000 ] - [ 0.0013883800000000, 0.0000000000000000, -0.0071803200000000 ] - [ -0.0007129800000000, 0.0000000000000000, 0.0004252600000000 ] - [ -0.0006506700000000, -0.0001378700000000, -0.0008031700000000 ] - [ -0.0006506700000000, 0.0001378700000000, -0.0008031700000000 ] - [ 0.0016424900000000, 0.0000000000000000, 0.0001509400000000 ] - [ 0.0017648400000000, 0.0000061400000000, 0.0002258200000000 ] - [ 0.0017648400000000, -0.0000061400000000, 0.0002258200000000 ] - [ -0.0003691200000000, 0.0000000000000000, -0.0021689900000000 ] - [ -0.0003082600000000, 0.0000266400000000, -0.0021034600000000 ] - [ -0.0003082600000000, -0.0000266400000000, -0.0021034600000000 ] - [ 0.0022252700000000, 0.0000000000000000, -0.0000472500000000 ] - [ 0.0021287800000000, 0.0000197600000000, 0.0000181800000000 ] - [ 0.0021287800000000, -0.0000197600000000, 0.0000181800000000 ] - [ 0.0001073000000000, 0.0000000000000000, -0.0015754600000000 ] - [ 0.0000057000000000, -0.0000162400000000, -0.0014824200000000 ] - [ 0.0000057000000000, 0.0000162400000000, -0.0014824200000000 ] - [ -0.0047899000000000, 0.0000000000000000, -0.0002892900000000 ] - [ 0.0013455800000000, 0.0000438900000000, -0.0001234600000000 ] - [ 0.0013455800000000, -0.0000438900000000, -0.0001234600000000 ] - [ -0.0002368200000000, 0.0000000000000000, -0.0035709800000000 ] - [ 0.0002720100000000, 0.0001998400000000, -0.0018831200000000 ] - [ 0.0002720100000000, -0.0001998400000000, -0.0018831200000000 ] - [ -0.0129071700000000, 0.0000000000000000, -0.0272366800000000 ] - [ -0.0003282800000000, -0.0010248700000000, -0.0031969400000000 ] - [ -0.0003282800000000, 0.0010248700000000, -0.0031969400000000 ] - [ -0.0651140000000000, 0.0000000000000000, 0.0001600000000000 ] - [ -0.0038533500000000, -0.0000962400000000, 0.0005704900000000 ] - [ -0.0038533500000000, 0.0000962400000000, 0.0005704900000000 ] - [ -0.0148640700000000, 0.0000000000000000, -0.0323182700000000 ] - [ -0.0005503500000000, 0.0010392500000000, -0.0030290000000000 ] - [ -0.0005503500000000, -0.0010392500000000, -0.0030290000000000 ] - [ 0.0078029200000000, 0.0000000000000000, 0.0001902100000000 ] - [ 0.0035624900000000, -0.0001895900000000, 0.0006516600000000 ] - [ 0.0035624900000000, 0.0001895900000000, 0.0006516600000000 ] - [ -0.0158396000000000, 0.0000000000000000, 0.0242419800000000 ] - [ 0.0001299700000000, -0.0009748200000000, 0.0002149500000000 ] - [ 0.0001299700000000, 0.0009748200000000, 0.0002149500000000 ] - [ -0.0043181600000000, 0.0000000000000000, -0.0002329900000000 ] - [ 0.0019211100000000, -0.0000341000000000, -0.0003407200000000 ] - [ 0.0019211100000000, 0.0000341000000000, -0.0003407200000000 ] - [ -0.0098845700000000, 0.0000000000000000, 0.0246596000000000 ] - [ -0.0000965800000000, 0.0008908200000000, 0.0004948400000000 ] - [ -0.0000965800000000, -0.0008908200000000, 0.0004948400000000 ] - [ 0.0009909200000000, 0.0000000000000000, -0.0002211500000000 ] - [ 0.0011871300000000, 0.0000010000000000, -0.0002216000000000 ] - [ 0.0011871300000000, -0.0000010000000000, -0.0002216000000000 ] - [ -0.0005035600000000, 0.0000000000000000, 0.0015353300000000 ] - [ 0.0003065700000000, 0.0001400800000000, 0.0000107300000000 ] - [ 0.0003065700000000, -0.0001400800000000, 0.0000107300000000 ] - [ 0.0069238500000000, 0.0000000000000000, 0.0001299400000000 ] - [ 0.0032811900000000, -0.0001234400000000, -0.0002432600000000 ] - [ 0.0032811900000000, 0.0001234400000000, -0.0002432600000000 ] - [ -0.0003901600000000, 0.0000000000000000, -0.0043107200000000 ] - [ -0.0001406100000000, -0.0001428800000000, -0.0027508600000000 ] - [ -0.0001406100000000, 0.0001428800000000, -0.0027508600000000 ] - [ 0.2118337700000000, 0.0000000000000000, -0.0003919000000000 ] - [ 0.0079905100000000, 0.0001594500000000, 0.0002350400000000 ] - [ 0.0079905100000000, -0.0001594500000000, 0.0002350400000000 ] - [ 0.0028173900000000, 0.0000000000000000, 0.0002334000000000 ] - [ 0.0026333300000000, 0.0000028300000000, 0.0002199400000000 ] - [ 0.0026333300000000, -0.0000028300000000, 0.0002199400000000 ] - [ 0.0055334600000000, 0.0013951200000000, -0.0022613900000000 ] - [ 0.0055334600000000, -0.0013951200000000, -0.0022613900000000 ] - [ 0.0055861500000000, 0.0000000000000000, -0.0031017000000000 ] - [ -0.0086029400000000, 0.0235922400000000, -0.0043754700000000 ] - [ -0.0086029400000000, -0.0235922400000000, -0.0043754700000000 ] - [ 0.0046899600000000, 0.0000000000000000, -0.0035147200000000 ] - [ 0.0049511100000000, -0.0001360900000000, -0.0027385700000000 ] - [ 0.0049511100000000, 0.0001360900000000, -0.0027385700000000 ] - [ 0.0049482600000000, 0.0000000000000000, -0.0027063700000000 ] - [ 0.0068781100000000, 0.0017739800000000, -0.0016567500000000 ] - [ 0.0068781100000000, -0.0017739800000000, -0.0016567500000000 ] - [ 0.0069499800000000, 0.0000000000000000, -0.0009868400000000 ] - [ 0.0047415600000000, -0.0019574800000000, -0.0056446300000000 ] - [ 0.0047415600000000, 0.0019574800000000, -0.0056446300000000 ] - [ 0.0046912500000000, 0.0000000000000000, -0.0047737900000000 ] - [ -0.0061472100000000, -0.0270966800000000, -0.0027299100000000 ] - [ -0.0061472100000000, 0.0270966800000000, -0.0027299100000000 ] - [ 0.0045193200000000, 0.0000000000000000, -0.0036787400000000 ] - [ 0.0067203700000000, -0.0015930000000000, 0.0053318700000000 ] - [ 0.0067203700000000, 0.0015930000000000, 0.0053318700000000 ] - [ 0.0067554600000000, 0.0000000000000000, 0.0047501100000000 ] - [ 0.0002771300000000, 0.0000110400000000, 0.0001760700000000 ] - [ 0.0002771300000000, -0.0000110400000000, 0.0001760700000000 ] - [ 0.0003074200000000, 0.0000000000000000, 0.0001670500000000 ] - [ 0.0002382300000000, 0.0000175000000000, 0.0001123900000000 ] - [ 0.0002382300000000, -0.0000175000000000, 0.0001123900000000 ] - [ 0.0000035000000000, 0.0000000000000000, 0.0001077800000000 ] - [ 0.0055920800000000, 0.0004032900000000, 0.0000023800000000 ] - [ 0.0055920800000000, -0.0004032900000000, 0.0000023800000000 ] - [ 0.0006183300000000, 0.0000000000000000, -0.0002688600000000 ] - [ -0.0005551200000000, 0.0001300500000000, 0.0001151700000000 ] - [ -0.0005551200000000, -0.0001300500000000, 0.0001151700000000 ] - [ -0.0003210800000000, 0.0000000000000000, 0.0000522900000000 ] - [ -0.0089860900000000, -0.0020101000000000, -0.0020983900000000 ] - [ -0.0089860900000000, 0.0020101000000000, -0.0020983900000000 ] - [ -0.0015465300000000, 0.0000000000000000, 0.0001861100000000 ] - [ 0.0050066600000000, -0.0001419100000000, -0.0001832600000000 ] - [ 0.0050066600000000, 0.0001419100000000, -0.0001832600000000 ] - [ 0.0009008800000000, 0.0000000000000000, -0.0000297300000000 ] - [ -0.0087089400000000, -0.0023947500000000, 0.0018353700000000 ] - [ -0.0087089400000000, 0.0023947500000000, 0.0018353700000000 ] - [ -0.0015798900000000, 0.0000000000000000, -0.0004445100000000 ] - [ -0.0073458100000000, 0.0000000000000000, -0.0164286100000000 ] - [ -0.0093251900000000, -0.0009589700000000, -0.0047114900000000 ] - [ -0.0093251900000000, 0.0009589700000000, -0.0047114900000000 ] - [ -0.0113248000000000, 0.0000000000000000, 0.0062355600000000 ] - [ -0.0112322600000000, 0.0000644000000000, 0.0057341200000000 ] - [ -0.0112322600000000, -0.0000644000000000, 0.0057341200000000 ] - [ -0.0034539300000000, 0.0000000000000000, 0.0078703500000000 ] - [ -0.0034758800000000, -0.0000761500000000, 0.0083407500000000 ] - [ -0.0034758800000000, 0.0000761500000000, 0.0083407500000000 ] - [ -0.0060216500000000, 0.0000000000000000, 0.0046498100000000 ] - [ -0.0059461600000000, 0.0000171900000000, 0.0047726800000000 ] - [ -0.0059461600000000, -0.0000171900000000, 0.0047726800000000 ] - [ -0.0065060500000000, 0.0000000000000000, 0.0211967200000000 ] - [ -0.0066235100000000, -0.0011532700000000, 0.0071316700000000 ] - [ -0.0066235100000000, 0.0011532700000000, 0.0071316700000000 ] - [ -0.0065188800000000, 0.0000000000000000, -0.0082023500000000 ] - [ -0.0072714500000000, 0.0008856000000000, 0.0035318900000000 ] - [ -0.0072714500000000, -0.0008856000000000, 0.0035318900000000 ] - [ -0.0067916600000000, 0.0000000000000000, 0.0045751500000000 ] - [ -0.0067856700000000, -0.0000836500000000, 0.0040653400000000 ] - [ -0.0067856700000000, 0.0000836500000000, 0.0040653400000000 ] - [ 0.0193796200000000, 0.0000000000000000, 0.0088635200000000 ] - [ -0.0066168300000000, 0.0119626400000000, 0.0040987400000000 ] - [ -0.0066168300000000, -0.0119626400000000, 0.0040987400000000 ] - [ -0.0068935600000000, 0.0000000000000000, 0.0146846300000000 ] - [ -0.0084603200000000, 0.0011275900000000, 0.0036727900000000 ] - [ -0.0084603200000000, -0.0011275900000000, 0.0036727900000000 ] - [ -0.0585143800000000, 0.0000000000000000, 0.0048619100000000 ] - [ -0.0075451700000000, -0.0131887600000000, 0.0052163900000000 ] - [ -0.0075451700000000, 0.0131887600000000, 0.0052163900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005351800000000, 0.0000294700000000, -0.0000682900000000 ] - [ -0.0005352700000000, 0.0000303800000000, -0.0000631200000000 ] - [ -0.0005352800000000, -0.0000597400000000, -0.0000657200000000 ] - [ -0.0001320700000000, 0.0000839900000000, 0.0001618900000000 ] - [ -0.0001339500000000, 0.0000871700000000, -0.0000466000000000 ] - [ -0.0001330600000000, -0.0001733300000000, 0.0000573000000000 ] - [ -0.0001494100000000, 0.0001046900000000, 0.0004531000000000 ] - [ -0.0001609700000000, 0.0001078300000000, 0.0001653600000000 ] - [ -0.0001553500000000, -0.0002158600000000, 0.0003084700000000 ] - [ 0.0044837700000000, -0.0001440300000000, -0.0036477400000000 ] - [ 0.0044905600000000, -0.0001465900000000, -0.0037517100000000 ] - [ 0.0044874600000000, 0.0002818500000000, -0.0037002500000000 ] - [ 0.0096327700000000, -0.0001497400000000, -0.0034689700000000 ] - [ 0.0096394700000000, -0.0001547000000000, -0.0034197300000000 ] - [ 0.0096362700000000, 0.0002959600000000, -0.0034441000000000 ] - [ 0.0013772700000000, -0.0001526600000000, -0.0072429400000000 ] - [ 0.0013812400000000, -0.0001576100000000, -0.0071869000000000 ] - [ 0.0013791800000000, 0.0003062500000000, -0.0072145500000000 ] - [ -0.0006459800000000, -0.0003310300000000, -0.0012949800000000 ] - [ -0.0006150800000000, 0.0001425700000000, -0.0019039300000000 ] - [ -0.0006780300000000, 0.0001446200000000, -0.0007057000000000 ] - [ 0.0019713100000000, -0.0000803600000000, 0.0002573800000000 ] - [ 0.0019601000000000, 0.0000400800000000, 0.0001769800000000 ] - [ 0.0019779400000000, 0.0000410000000000, 0.0003356600000000 ] - [ -0.0003190100000000, -0.0000725300000000, -0.0019774900000000 ] - [ -0.0003081000000000, 0.0000341600000000, -0.0019605800000000 ] - [ -0.0003297100000000, 0.0000350100000000, -0.0019948100000000 ] - [ 0.0019453900000000, -0.0001002600000000, 0.0000560100000000 ] - [ 0.0019568400000000, 0.0000511700000000, -0.0000199000000000 ] - [ 0.0019373100000000, 0.0000524400000000, 0.0001294000000000 ] - [ -0.0000496700000000, -0.0000741000000000, -0.0013282000000000 ] - [ -0.0000749600000000, 0.0000318600000000, -0.0013092300000000 ] - [ -0.0000251300000000, 0.0000327900000000, -0.0013436600000000 ] - [ 0.0022835000000000, -0.0004754800000000, -0.0000788400000000 ] - [ 0.0022655500000000, 0.0003100300000000, -0.0004864400000000 ] - [ 0.0022939700000000, 0.0003143600000000, 0.0002997200000000 ] - [ 0.0003435400000000, -0.0002891000000000, -0.0012247300000000 ] - [ 0.0002559100000000, 0.0001373500000000, -0.0018975200000000 ] - [ 0.0004304200000000, 0.0001400600000000, -0.0005754700000000 ] - [ -0.0005306800000000, -0.0048538600000000, -0.0020041700000000 ] - [ -0.0000245300000000, 0.0012916000000000, -0.0003593300000000 ] - [ -0.0009808000000000, 0.0012907700000000, -0.0035172200000000 ] - [ 0.0024987500000000, 0.0013501800000000, 0.0005273100000000 ] - [ 0.0024260200000000, 0.0030977200000000, 0.0007427300000000 ] - [ 0.0025483700000000, 0.0030835700000000, 0.0003386200000000 ] - [ -0.0004353600000000, -0.0050973000000000, -0.0010736800000000 ] - [ -0.0008587500000000, 0.0011700000000000, -0.0028176400000000 ] - [ -0.0001016600000000, 0.0011732700000000, 0.0004940500000000 ] - [ 0.0026022100000000, -0.0014086300000000, 0.0004445500000000 ] - [ 0.0023619300000000, 0.0011444100000000, -0.0007743500000000 ] - [ 0.0028448300000000, 0.0011351800000000, 0.0016439800000000 ] - [ 0.0001014200000000, -0.0049177200000000, -0.0014567000000000 ] - [ 0.0005677800000000, 0.0012135900000000, -0.0030369600000000 ] - [ -0.0002987200000000, 0.0012133100000000, 0.0000030900000000 ] - [ 0.0029396900000000, -0.0005168800000000, -0.0003619100000000 ] - [ 0.0029123600000000, 0.0003260400000000, 0.0000127500000000 ] - [ 0.0029582200000000, 0.0003310600000000, -0.0007113800000000 ] - [ -0.0002499800000000, -0.0048544300000000, -0.0014951700000000 ] - [ -0.0006208100000000, 0.0011682900000000, 0.0002113200000000 ] - [ 0.0000525700000000, 0.0011700300000000, -0.0030320100000000 ] - [ 0.0014154300000000, -0.0000435700000000, -0.0001829800000000 ] - [ 0.0014201900000000, 0.0000216000000000, -0.0001148200000000 ] - [ 0.0014111800000000, 0.0000222700000000, -0.0002487300000000 ] - [ 0.0004194900000000, -0.0002649300000000, -0.0004644600000000 ] - [ 0.0003452700000000, 0.0001021300000000, 0.0002045000000000 ] - [ 0.0004908900000000, 0.0001040500000000, -0.0011076700000000 ] - [ 0.0023443500000000, -0.0009174100000000, -0.0001713400000000 ] - [ 0.0022080900000000, 0.0006158000000000, 0.0005446400000000 ] - [ 0.0024879400000000, 0.0006123700000000, -0.0008676500000000 ] - [ -0.0001252600000000, -0.0002801200000000, -0.0020697600000000 ] - [ -0.0001033300000000, 0.0001076500000000, -0.0014976200000000 ] - [ -0.0001469600000000, 0.0001092300000000, -0.0026215700000000 ] - [ 0.0022776400000000, -0.0516222700000000, 0.0002140200000000 ] - [ 0.0025925100000000, 0.0025964000000000, 0.0002617400000000 ] - [ 0.0022664300000000, 0.0025929300000000, 0.0001108400000000 ] - [ 0.0024134100000000, -0.0000592000000000, 0.0002606900000000 ] - [ 0.0024126700000000, 0.0000276600000000, 0.0003410600000000 ] - [ 0.0024139900000000, 0.0000284400000000, 0.0001830800000000 ] - [ 0.0049402600000000, -0.0007399700000000, -0.0026845000000000 ] - [ 0.0061229700000000, -0.0007578900000000, -0.0042554300000000 ] - [ 0.0055277800000000, 0.0014450000000000, -0.0034698700000000 ] - [ -0.0088091100000000, 0.0096518600000000, -0.0039052500000000 ] - [ 0.0183284800000000, 0.0097285700000000, -0.0028991300000000 ] - [ 0.0046541800000000, 0.0052945800000000, -0.0034061200000000 ] - [ 0.0049374300000000, -0.0001465300000000, -0.0025255000000000 ] - [ 0.0049564600000000, -0.0001516600000000, -0.0026337400000000 ] - [ 0.0049468400000000, 0.0002977200000000, -0.0025801900000000 ] - [ 0.0064278700000000, -0.0008431600000000, -0.0013210000000000 ] - [ 0.0074255700000000, -0.0008640500000000, -0.0000194500000000 ] - [ 0.0069234100000000, 0.0015790500000000, -0.0006703500000000 ] - [ 0.0051192100000000, -0.0007616900000000, -0.0036334800000000 ] - [ 0.0043131800000000, -0.0007832900000000, -0.0050348600000000 ] - [ 0.0047189700000000, 0.0015757500000000, -0.0043360300000000 ] - [ 0.0189669800000000, 0.0106258800000000, -0.0044396900000000 ] - [ -0.0087510400000000, 0.0106638500000000, -0.0035531400000000 ] - [ 0.0052029300000000, 0.0053238700000000, -0.0039995700000000 ] - [ 0.0071130900000000, -0.0008439500000000, 0.0039224900000000 ] - [ 0.0066366800000000, -0.0008669500000000, 0.0048102200000000 ] - [ 0.0068765700000000, 0.0016174200000000, 0.0043680500000000 ] - [ 0.0004320500000000, 0.0000649000000000, 0.0001048200000000 ] - [ 0.0004309400000000, 0.0000671100000000, 0.0001124200000000 ] - [ 0.0004314000000000, -0.0001312000000000, 0.0001086900000000 ] - [ -0.0003036900000000, 0.0001795000000000, -0.0001521200000000 ] - [ -0.0003025100000000, 0.0001871700000000, 0.0003291000000000 ] - [ -0.0003025700000000, -0.0003769000000000, 0.0000905300000000 ] - [ -0.0005253800000000, 0.0009593900000000, -0.0020189300000000 ] - [ -0.0002732400000000, 0.0009996300000000, 0.0016790000000000 ] - [ -0.0003965400000000, -0.0016150400000000, -0.0001641700000000 ] - [ -0.0000367100000000, 0.0002403800000000, -0.0002968400000000 ] - [ -0.0000344600000000, 0.0002457200000000, 0.0003959700000000 ] - [ -0.0000358500000000, -0.0004973800000000, 0.0000507300000000 ] - [ -0.0001668300000000, 0.0001927200000000, -0.0044281800000000 ] - [ -0.0009835400000000, 0.0003643800000000, 0.0043666800000000 ] - [ -0.0005808400000000, -0.0018841100000000, 0.0000419700000000 ] - [ -0.0000026900000000, 0.0010108400000000, 0.0020944400000000 ] - [ 0.0001767100000000, 0.0010501700000000, -0.0020350300000000 ] - [ 0.0000899700000000, -0.0016313100000000, 0.0000237800000000 ] - [ 0.0000999300000000, -0.0006894500000000, 0.0050014400000000 ] - [ -0.0013063900000000, -0.0005428800000000, -0.0052160000000000 ] - [ -0.0006066800000000, -0.0017902200000000, -0.0001646300000000 ] - [ -0.0094334800000000, 0.0021788400000000, -0.0032660600000000 ] - [ -0.0087555600000000, -0.0010339700000000, -0.0051766200000000 ] - [ -0.0101080500000000, -0.0010479300000000, -0.0014550300000000 ] - [ -0.0111818500000000, 0.0002683700000000, 0.0051904000000000 ] - [ -0.0111435000000000, -0.0001236300000000, 0.0048182100000000 ] - [ -0.0112188900000000, -0.0001279900000000, 0.0055490100000000 ] - [ -0.0034621300000000, 0.0002776400000000, 0.0084969800000000 ] - [ -0.0035090500000000, -0.0001325700000000, 0.0080931200000000 ] - [ -0.0034166700000000, -0.0001370500000000, 0.0088883300000000 ] - [ -0.0059705400000000, 0.0002472000000000, 0.0049126900000000 ] - [ -0.0059363600000000, -0.0001181400000000, 0.0052055200000000 ] - [ -0.0059994300000000, -0.0001191700000000, 0.0046297900000000 ] - [ -0.0063870900000000, 0.0020281300000000, 0.0057248100000000 ] - [ -0.0056723000000000, -0.0009959100000000, 0.0074527300000000 ] - [ -0.0071076600000000, -0.0010062200000000, 0.0040884200000000 ] - [ -0.0075296800000000, 0.0020442600000000, 0.0047482300000000 ] - [ -0.0079683700000000, -0.0010076900000000, 0.0064206700000000 ] - [ -0.0070837100000000, -0.0010173600000000, 0.0031452600000000 ] - [ -0.0067542900000000, 0.0002623800000000, 0.0036357600000000 ] - [ -0.0067813300000000, -0.0001260600000000, 0.0039777300000000 ] - [ -0.0067310100000000, -0.0001322100000000, 0.0033026500000000 ] - [ -0.0070905600000000, 0.0174146000000000, 0.0044880300000000 ] - [ -0.0072821300000000, -0.0092010400000000, 0.0045778600000000 ] - [ -0.0066467800000000, -0.0091634500000000, 0.0043842500000000 ] - [ -0.0087652900000000, 0.0020801000000000, 0.0025285000000000 ] - [ -0.0091720000000000, -0.0010109100000000, 0.0008164300000000 ] - [ -0.0083576600000000, -0.0010213600000000, 0.0041742300000000 ] - [ -0.0067875700000000, 0.0209279100000000, 0.0051511800000000 ] - [ -0.0072107500000000, -0.0099937800000000, 0.0054247900000000 ] - [ -0.0067885000000000, -0.0099821200000000, 0.0048839600000000 ]- atom: 73 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005311500000000, 0.0000136600000000, -0.0004868900000000 ] - [ -0.0005311500000000, -0.0000136600000000, -0.0004868900000000 ] - [ -0.0005311900000000, 0.0000000000000000, -0.0004107400000000 ] - [ -0.0001123500000000, 0.0003068300000000, -0.0003801200000000 ] - [ -0.0001123500000000, -0.0003068300000000, -0.0003801200000000 ] - [ -0.0001222300000000, 0.0000000000000000, -0.0001536800000000 ] - [ -0.0001866300000000, 0.0002898300000000, -0.0002267700000000 ] - [ -0.0001866300000000, -0.0002898300000000, -0.0002267700000000 ] - [ -0.0001762500000000, 0.0000000000000000, 0.0000234100000000 ] - [ 0.0045372200000000, 0.0002335300000000, -0.0030474500000000 ] - [ 0.0045372200000000, -0.0002335300000000, -0.0030474500000000 ] - [ 0.0045305400000000, 0.0000000000000000, -0.0032060600000000 ] - [ 0.0095572400000000, -0.0003863000000000, -0.0028550700000000 ] - [ 0.0095572400000000, 0.0003863000000000, -0.0028550700000000 ] - [ 0.0095619000000000, 0.0000000000000000, -0.0029752600000000 ] - [ 0.0014613300000000, -0.0003820300000000, -0.0066157300000000 ] - [ 0.0014613300000000, 0.0003820300000000, -0.0066157300000000 ] - [ 0.0014446500000000, 0.0000000000000000, -0.0067390300000000 ] - [ -0.0007216800000000, 0.0000000000000000, 0.0015132000000000 ] - [ -0.0007136900000000, -0.0002308400000000, -0.0003268900000000 ] - [ -0.0007136900000000, 0.0002308400000000, -0.0003268900000000 ] - [ 0.0020372100000000, 0.0000000000000000, 0.0009866000000000 ] - [ 0.0020230000000000, -0.0000707400000000, 0.0006872700000000 ] - [ 0.0020230000000000, 0.0000707400000000, 0.0006872700000000 ] - [ -0.0002645900000000, 0.0000000000000000, 0.0005419500000000 ] - [ -0.0002848100000000, 0.0000134600000000, -0.0002420200000000 ] - [ -0.0002848100000000, -0.0000134600000000, -0.0002420200000000 ] - [ 0.0019662100000000, 0.0000000000000000, 0.0009462000000000 ] - [ 0.0019784500000000, -0.0000745800000000, 0.0006079300000000 ] - [ 0.0019784500000000, 0.0000745800000000, 0.0006079300000000 ] - [ -0.0000286800000000, 0.0000000000000000, 0.0011244100000000 ] - [ -0.0000369500000000, 0.0000122400000000, 0.0003343400000000 ] - [ -0.0000369500000000, -0.0000122400000000, 0.0003343400000000 ] - [ 0.0024198200000000, 0.0000000000000000, 0.0023807900000000 ] - [ 0.0022931400000000, -0.0003910000000000, -0.0001794500000000 ] - [ 0.0022931400000000, 0.0003910000000000, -0.0001794500000000 ] - [ 0.0003862900000000, 0.0000000000000000, 0.0016974400000000 ] - [ 0.0003826200000000, -0.0002265700000000, -0.0001489600000000 ] - [ 0.0003826200000000, 0.0002265700000000, -0.0001489600000000 ] - [ 0.0143144900000000, 0.0000000000000000, 0.0093652000000000 ] - [ 0.0001312900000000, 0.0007910000000000, -0.0039278100000000 ] - [ 0.0001312900000000, -0.0007910000000000, -0.0039278100000000 ] - [ 0.0026814700000000, 0.0000000000000000, 0.0008783600000000 ] - [ 0.0024462500000000, 0.0000811100000000, -0.0003952600000000 ] - [ 0.0024462500000000, -0.0000811100000000, -0.0003952600000000 ] - [ 0.0154000800000000, 0.0000000000000000, 0.0067154900000000 ] - [ -0.0002300800000000, -0.0005519200000000, -0.0032173400000000 ] - [ -0.0002300800000000, 0.0005519200000000, -0.0032173400000000 ] - [ 0.0026247400000000, 0.0000000000000000, 0.0022843700000000 ] - [ 0.0027917200000000, -0.0011684500000000, 0.0011804900000000 ] - [ 0.0027917200000000, 0.0011684500000000, 0.0011804900000000 ] - [ -0.0150617800000000, 0.0000000000000000, 0.0055298700000000 ] - [ -0.0003238800000000, -0.0006417900000000, -0.0036013500000000 ] - [ -0.0003238800000000, 0.0006417900000000, -0.0036013500000000 ] - [ 0.0024952300000000, 0.0000000000000000, 0.0020903100000000 ] - [ 0.0029437800000000, 0.0004042500000000, -0.0004625100000000 ] - [ 0.0029437800000000, -0.0004042500000000, -0.0004625100000000 ] - [ -0.0150539500000000, 0.0000000000000000, 0.0118015200000000 ] - [ -0.0006842000000000, 0.0006254600000000, -0.0032434500000000 ] - [ -0.0006842000000000, -0.0006254600000000, -0.0032434500000000 ] - [ 0.0015150100000000, 0.0000000000000000, 0.0005650400000000 ] - [ 0.0014662000000000, 0.0000516600000000, 0.0002390000000000 ] - [ 0.0014662000000000, -0.0000516600000000, 0.0002390000000000 ] - [ 0.0002135900000000, 0.0000000000000000, 0.0033461000000000 ] - [ 0.0004413800000000, 0.0002147500000000, 0.0009103600000000 ] - [ 0.0004413800000000, -0.0002147500000000, 0.0009103600000000 ] - [ 0.0028949200000000, 0.0000000000000000, 0.0016303500000000 ] - [ 0.0021872500000000, 0.0007419100000000, 0.0001614200000000 ] - [ 0.0021872500000000, -0.0007419100000000, 0.0001614200000000 ] - [ 0.0000437600000000, 0.0000000000000000, 0.0016495400000000 ] - [ -0.0001234600000000, 0.0002133000000000, -0.0007071900000000 ] - [ -0.0001234600000000, -0.0002133000000000, -0.0007071900000000 ] - [ 0.0029642900000000, 0.0000000000000000, -0.0608604500000000 ] - [ 0.0023817200000000, -0.0000776400000000, -0.0015179900000000 ] - [ 0.0023817200000000, 0.0000776400000000, -0.0015179900000000 ] - [ 0.0023951400000000, 0.0000000000000000, 0.0010967500000000 ] - [ 0.0023845200000000, 0.0000651700000000, 0.0007204900000000 ] - [ 0.0023845200000000, -0.0000651700000000, 0.0007204900000000 ] - [ 0.0050514700000000, 0.0016184700000000, -0.0027392800000000 ] - [ 0.0050514700000000, -0.0016184700000000, -0.0027392800000000 ] - [ 0.0054663100000000, 0.0000000000000000, -0.0036379200000000 ] - [ 0.0050874900000000, -0.0001868300000000, -0.0081207400000000 ] - [ 0.0050874900000000, 0.0001868300000000, -0.0081207400000000 ] - [ 0.0046380100000000, 0.0000000000000000, -0.0044263500000000 ] - [ 0.0048837100000000, 0.0002451800000000, -0.0019195100000000 ] - [ 0.0048837100000000, -0.0002451800000000, -0.0019195100000000 ] - [ 0.0049104200000000, 0.0000000000000000, -0.0020735000000000 ] - [ 0.0073265300000000, -0.0022457100000000, -0.0000630700000000 ] - [ 0.0073265300000000, 0.0022457100000000, -0.0000630700000000 ] - [ 0.0069443200000000, 0.0000000000000000, -0.0007760700000000 ] - [ 0.0051276700000000, 0.0017103900000000, -0.0036317200000000 ] - [ 0.0051276700000000, -0.0017103900000000, -0.0036317200000000 ] - [ 0.0048635100000000, 0.0000000000000000, -0.0045154700000000 ] - [ 0.0046302100000000, -0.0003315000000000, -0.0087883500000000 ] - [ 0.0046302100000000, 0.0003315000000000, -0.0087883500000000 ] - [ 0.0051860300000000, 0.0000000000000000, -0.0049134900000000 ] - [ 0.0066231900000000, -0.0023418200000000, 0.0049937900000000 ] - [ 0.0066231900000000, 0.0023418200000000, 0.0049937900000000 ] - [ 0.0067753600000000, 0.0000000000000000, 0.0042350500000000 ] - [ 0.0004236500000000, 0.0000226300000000, -0.0007313000000000 ] - [ 0.0004236500000000, -0.0000226300000000, -0.0007313000000000 ] - [ 0.0004256100000000, 0.0000000000000000, -0.0005782800000000 ] - [ -0.0003126100000000, -0.0005262400000000, -0.0007995400000000 ] - [ -0.0003126100000000, 0.0005262400000000, -0.0007995400000000 ] - [ -0.0003164100000000, 0.0000000000000000, -0.0003249100000000 ] - [ -0.0005255200000000, -0.0020959900000000, 0.0012348400000000 ] - [ -0.0005255200000000, 0.0020959900000000, 0.0012348400000000 ] - [ -0.0004114600000000, 0.0000000000000000, 0.0006424000000000 ] - [ -0.0000271200000000, -0.0004599900000000, -0.0009917000000000 ] - [ -0.0000271200000000, 0.0004599900000000, -0.0009917000000000 ] - [ -0.0000116300000000, 0.0000000000000000, -0.0005266900000000 ] - [ -0.0001978800000000, -0.0043063500000000, 0.0009088000000000 ] - [ -0.0001978800000000, 0.0043063500000000, 0.0009088000000000 ] - [ -0.0005590300000000, 0.0000000000000000, 0.0009850000000000 ] - [ 0.0001709000000000, 0.0018191900000000, 0.0019177500000000 ] - [ 0.0001709000000000, -0.0018191900000000, 0.0019177500000000 ] - [ 0.0000574200000000, 0.0000000000000000, 0.0009650700000000 ] - [ -0.0013068300000000, 0.0050944900000000, 0.0007712200000000 ] - [ -0.0013068300000000, -0.0050944900000000, 0.0007712200000000 ] - [ -0.0005671900000000, 0.0000000000000000, 0.0007852800000000 ] - [ -0.0088025800000000, 0.0000000000000000, -0.0130448600000000 ] - [ -0.0089143500000000, -0.0020475700000000, -0.0033338800000000 ] - [ -0.0089143500000000, 0.0020475700000000, -0.0033338800000000 ] - [ -0.0108528500000000, 0.0000000000000000, 0.0011953200000000 ] - [ -0.0109940600000000, -0.0003185900000000, 0.0029547800000000 ] - [ -0.0109940600000000, 0.0003185900000000, 0.0029547800000000 ] - [ -0.0039841400000000, 0.0000000000000000, 0.0044205600000000 ] - [ -0.0037348200000000, -0.0003248800000000, 0.0062084900000000 ] - [ -0.0037348200000000, 0.0003248800000000, 0.0062084900000000 ] - [ -0.0062646800000000, 0.0000000000000000, 0.0020008300000000 ] - [ -0.0061526700000000, 0.0001962200000000, 0.0032034800000000 ] - [ -0.0061526700000000, -0.0001962200000000, 0.0032034800000000 ] - [ -0.0064881500000000, 0.0000000000000000, -0.0013595200000000 ] - [ -0.0070812800000000, 0.0015234200000000, 0.0059506900000000 ] - [ -0.0070812800000000, -0.0015234200000000, 0.0059506900000000 ] - [ -0.0072627700000000, 0.0000000000000000, -0.0015917800000000 ] - [ -0.0070398400000000, 0.0015121000000000, 0.0049636100000000 ] - [ -0.0070398400000000, -0.0015121000000000, 0.0049636100000000 ] - [ -0.0065869800000000, 0.0000000000000000, 0.0004812000000000 ] - [ -0.0066598200000000, 0.0002075900000000, 0.0017799500000000 ] - [ -0.0066598200000000, -0.0002075900000000, 0.0017799500000000 ] - [ -0.0067738400000000, 0.0000000000000000, 0.0244070600000000 ] - [ -0.0068557900000000, 0.0000118100000000, 0.0081286500000000 ] - [ -0.0068557900000000, -0.0000118100000000, 0.0081286500000000 ] - [ -0.0094279500000000, 0.0000000000000000, -0.0049416200000000 ] - [ -0.0090938500000000, -0.0018685800000000, 0.0025062100000000 ] - [ -0.0090938500000000, 0.0018685800000000, 0.0025062100000000 ] - [ -0.0081597900000000, 0.0000000000000000, 0.0282445400000000 ] - [ -0.0069715600000000, -0.0000699500000000, 0.0086010600000000 ] - [ -0.0069715600000000, 0.0000699500000000, 0.0086010600000000 ]- atom: 73 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005391200000000, -0.0000129900000000, 0.0003562200000000 ] - [ -0.0005391200000000, 0.0000129900000000, 0.0003562200000000 ] - [ -0.0005389700000000, 0.0000000000000000, 0.0002809200000000 ] - [ -0.0001532600000000, -0.0003045400000000, 0.0004978900000000 ] - [ -0.0001532600000000, 0.0003045400000000, 0.0004978900000000 ] - [ -0.0001430300000000, 0.0000000000000000, 0.0002724600000000 ] - [ -0.0001244100000000, -0.0002885600000000, 0.0008472300000000 ] - [ -0.0001244100000000, 0.0002885600000000, 0.0008472300000000 ] - [ -0.0001350300000000, 0.0000000000000000, 0.0005980400000000 ] - [ 0.0044374900000000, -0.0002376500000000, -0.0043520500000000 ] - [ 0.0044374900000000, 0.0002376500000000, -0.0043520500000000 ] - [ 0.0044446800000000, 0.0000000000000000, -0.0041926200000000 ] - [ 0.0097155600000000, 0.0003826400000000, -0.0040335500000000 ] - [ 0.0097155600000000, -0.0003826400000000, -0.0040335500000000 ] - [ 0.0097110500000000, 0.0000000000000000, -0.0039141400000000 ] - [ 0.0012973900000000, 0.0003787000000000, -0.0078139700000000 ] - [ 0.0012973900000000, -0.0003787000000000, -0.0078139700000000 ] - [ 0.0013137800000000, 0.0000000000000000, -0.0076911900000000 ] - [ -0.0005670500000000, 0.0000000000000000, -0.0041244500000000 ] - [ -0.0005790600000000, 0.0002322500000000, -0.0022713800000000 ] - [ -0.0005790600000000, -0.0002322500000000, -0.0022713800000000 ] - [ 0.0019063500000000, 0.0000000000000000, -0.0004750100000000 ] - [ 0.0019162800000000, 0.0000715000000000, -0.0001736500000000 ] - [ 0.0019162800000000, -0.0000715000000000, -0.0001736500000000 ] - [ -0.0003721200000000, 0.0000000000000000, -0.0044960600000000 ] - [ -0.0003528200000000, -0.0000128300000000, -0.0037139900000000 ] - [ -0.0003528200000000, 0.0000128300000000, -0.0037139900000000 ] - [ 0.0019271600000000, 0.0000000000000000, -0.0008374400000000 ] - [ 0.0019163600000000, 0.0000751900000000, -0.0004972600000000 ] - [ 0.0019163600000000, -0.0000751900000000, -0.0004972600000000 ] - [ -0.0000702700000000, 0.0000000000000000, -0.0037794000000000 ] - [ -0.0000622600000000, -0.0000115400000000, -0.0029885600000000 ] - [ -0.0000622600000000, 0.0000115400000000, -0.0029885600000000 ] - [ 0.0021482200000000, 0.0000000000000000, -0.0025802500000000 ] - [ 0.0022671200000000, 0.0003920000000000, 0.0000008800000000 ] - [ 0.0022671200000000, -0.0003920000000000, 0.0000008800000000 ] - [ 0.0003016300000000, 0.0000000000000000, -0.0041674400000000 ] - [ 0.0003045300000000, 0.0002273800000000, -0.0023128100000000 ] - [ 0.0003045300000000, -0.0002273800000000, -0.0023128100000000 ] - [ -0.0150705900000000, 0.0000000000000000, -0.0131254900000000 ] - [ -0.0011329700000000, -0.0007860300000000, 0.0000167600000000 ] - [ -0.0011329700000000, 0.0007860300000000, 0.0000167600000000 ] - [ 0.0023083400000000, 0.0000000000000000, 0.0001800900000000 ] - [ 0.0025259300000000, -0.0001004400000000, 0.0014727100000000 ] - [ 0.0025259300000000, 0.0001004400000000, 0.0014727100000000 ] - [ -0.0165574700000000, 0.0000000000000000, -0.0090364900000000 ] - [ -0.0007297200000000, 0.0005511000000000, 0.0009286900000000 ] - [ -0.0007297200000000, -0.0005511000000000, 0.0009286900000000 ] - [ 0.0025828600000000, 0.0000000000000000, -0.0014082300000000 ] - [ 0.0024156300000000, 0.0011806900000000, -0.0003045500000000 ] - [ 0.0024156300000000, -0.0011806900000000, -0.0003045500000000 ] - [ 0.0155631700000000, 0.0000000000000000, -0.0086106000000000 ] - [ 0.0005947500000000, 0.0006451200000000, 0.0006019800000000 ] - [ 0.0005947500000000, -0.0006451200000000, 0.0006019800000000 ] - [ 0.0033849400000000, 0.0000000000000000, -0.0027776400000000 ] - [ 0.0029288000000000, -0.0004037800000000, -0.0002442400000000 ] - [ 0.0029288000000000, 0.0004037800000000, -0.0002442400000000 ] - [ 0.0142613000000000, 0.0000000000000000, -0.0145374800000000 ] - [ 0.0001147700000000, -0.0006247100000000, 0.0003906400000000 ] - [ 0.0001147700000000, 0.0006247100000000, 0.0003906400000000 ] - [ 0.0013171900000000, 0.0000000000000000, -0.0009289500000000 ] - [ 0.0013653100000000, -0.0000511600000000, -0.0006041300000000 ] - [ 0.0013653100000000, 0.0000511600000000, -0.0006041300000000 ] - [ 0.0006230900000000, 0.0000000000000000, -0.0042505300000000 ] - [ 0.0003962100000000, -0.0002138200000000, -0.0018247700000000 ] - [ 0.0003962100000000, 0.0002138200000000, -0.0018247700000000 ] - [ 0.0018050500000000, 0.0000000000000000, -0.0019597500000000 ] - [ 0.0025075700000000, -0.0007349300000000, -0.0004910000000000 ] - [ 0.0025075700000000, 0.0007349300000000, -0.0004910000000000 ] - [ -0.0002880100000000, 0.0000000000000000, -0.0057598200000000 ] - [ -0.0001266000000000, -0.0002119600000000, -0.0034206700000000 ] - [ -0.0001266000000000, 0.0002119600000000, -0.0034206700000000 ] - [ 0.0015555100000000, 0.0000000000000000, 0.0611977600000000 ] - [ 0.0024697300000000, 0.0000729900000000, 0.0018912600000000 ] - [ 0.0024697300000000, -0.0000729900000000, 0.0018912600000000 ] - [ 0.0024320500000000, 0.0000000000000000, -0.0005721900000000 ] - [ 0.0024423400000000, -0.0000645100000000, -0.0001978200000000 ] - [ 0.0024423400000000, 0.0000645100000000, -0.0001978200000000 ] - [ 0.0060089800000000, -0.0016266700000000, -0.0041962600000000 ] - [ 0.0060089800000000, 0.0016266700000000, -0.0041962600000000 ] - [ 0.0055891300000000, 0.0000000000000000, -0.0032925800000000 ] - [ 0.0041659100000000, 0.0002812100000000, 0.0013005800000000 ] - [ 0.0041659100000000, -0.0002812100000000, 0.0013005800000000 ] - [ 0.0046642100000000, 0.0000000000000000, -0.0023890800000000 ] - [ 0.0050106700000000, -0.0002475200000000, -0.0032400000000000 ] - [ 0.0050106700000000, 0.0002475200000000, -0.0032400000000000 ] - [ 0.0049835700000000, 0.0000000000000000, -0.0030854400000000 ] - [ 0.0065235000000000, 0.0022324100000000, -0.0012829800000000 ] - [ 0.0065235000000000, -0.0022324100000000, -0.0012829800000000 ] - [ 0.0069022900000000, 0.0000000000000000, -0.0005726600000000 ] - [ 0.0043061700000000, -0.0017149800000000, -0.0050331500000000 ] - [ 0.0043061700000000, 0.0017149800000000, -0.0050331500000000 ] - [ 0.0045745600000000, 0.0000000000000000, -0.0041471700000000 ] - [ 0.0058376300000000, 0.0004717900000000, 0.0007801400000000 ] - [ 0.0058376300000000, -0.0004717900000000, 0.0007801400000000 ] - [ 0.0052173400000000, 0.0000000000000000, -0.0030875600000000 ] - [ 0.0071289200000000, 0.0023329800000000, 0.0037367200000000 ] - [ 0.0071289200000000, -0.0023329800000000, 0.0037367200000000 ] - [ 0.0069780600000000, 0.0000000000000000, 0.0044934900000000 ] - [ 0.0004399300000000, -0.0000214700000000, 0.0009475100000000 ] - [ 0.0004399300000000, 0.0000214700000000, 0.0009475100000000 ] - [ 0.0004378400000000, 0.0000000000000000, 0.0007947800000000 ] - [ -0.0002929200000000, 0.0005291100000000, 0.0009777100000000 ] - [ -0.0002929200000000, -0.0005291100000000, 0.0009777100000000 ] - [ -0.0002882800000000, 0.0000000000000000, 0.0005009800000000 ] - [ -0.0002731000000000, 0.0020929600000000, -0.0016069200000000 ] - [ -0.0002731000000000, -0.0020929600000000, -0.0016069200000000 ] - [ -0.0003815100000000, 0.0000000000000000, -0.0009906900000000 ] - [ -0.0000439000000000, 0.0004625300000000, 0.0010900300000000 ] - [ -0.0000439000000000, -0.0004625300000000, 0.0010900300000000 ] - [ -0.0000595500000000, 0.0000000000000000, 0.0006232500000000 ] - [ -0.0009519500000000, 0.0041699000000000, -0.0009849700000000 ] - [ -0.0009519500000000, -0.0041699000000000, -0.0009849700000000 ] - [ -0.0006025400000000, 0.0000000000000000, -0.0009175100000000 ] - [ 0.0000034700000000, -0.0018212500000000, -0.0018198700000000 ] - [ 0.0000034700000000, 0.0018212500000000, -0.0018198700000000 ] - [ 0.0001224100000000, 0.0000000000000000, -0.0008955900000000 ] - [ 0.0001015200000000, -0.0052095300000000, -0.0009448400000000 ] - [ 0.0001015200000000, 0.0052095300000000, -0.0009448400000000 ] - [ -0.0006455600000000, 0.0000000000000000, -0.0010992200000000 ] - [ -0.0100719100000000, 0.0000000000000000, 0.0064082300000000 ] - [ -0.0099519900000000, 0.0020379400000000, -0.0032662500000000 ] - [ -0.0099519900000000, -0.0020379400000000, -0.0032662500000000 ] - [ -0.0115098400000000, 0.0000000000000000, 0.0091683400000000 ] - [ -0.0113685500000000, 0.0003157400000000, 0.0074184700000000 ] - [ -0.0113685500000000, -0.0003157400000000, 0.0074184700000000 ] - [ -0.0029434000000000, 0.0000000000000000, 0.0125582300000000 ] - [ -0.0031899000000000, 0.0003224600000000, 0.0107798400000000 ] - [ -0.0031899000000000, -0.0003224600000000, 0.0107798400000000 ] - [ -0.0056760600000000, 0.0000000000000000, 0.0078333200000000 ] - [ -0.0057830400000000, -0.0002007700000000, 0.0066270500000000 ] - [ -0.0057830400000000, 0.0002007700000000, 0.0066270500000000 ] - [ -0.0062955000000000, 0.0000000000000000, 0.0129013600000000 ] - [ -0.0056986800000000, -0.0015316000000000, 0.0055611200000000 ] - [ -0.0056986800000000, 0.0015316000000000, 0.0055611200000000 ] - [ -0.0078005200000000, 0.0000000000000000, 0.0111761000000000 ] - [ -0.0080124000000000, -0.0015196700000000, 0.0045734500000000 ] - [ -0.0080124000000000, 0.0015196700000000, 0.0045734500000000 ] - [ -0.0069243100000000, 0.0000000000000000, 0.0067999000000000 ] - [ -0.0068527300000000, -0.0002073100000000, 0.0054937400000000 ] - [ -0.0068527300000000, 0.0002073100000000, 0.0054937400000000 ] - [ -0.0073755600000000, 0.0000000000000000, -0.0154566400000000 ] - [ -0.0070661300000000, 0.0000265700000000, 0.0008306700000000 ] - [ -0.0070661300000000, -0.0000265700000000, 0.0008306700000000 ] - [ -0.0081149900000000, 0.0000000000000000, 0.0099056400000000 ] - [ -0.0084345700000000, 0.0018571500000000, 0.0025124900000000 ] - [ -0.0084345700000000, -0.0018571500000000, 0.0025124900000000 ] - [ -0.0054446600000000, 0.0000000000000000, -0.0179632200000000 ] - [ -0.0070119100000000, 0.0001378000000000, 0.0017006900000000 ] - [ -0.0070119100000000, -0.0001378000000000, 0.0017006900000000 ]- atom: 76 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0029157500000000, -0.0001093500000000, 0.0000941600000000 ] - [ -0.0029157500000000, 0.0001093500000000, 0.0000941600000000 ] - [ -0.0009935700000000, 0.0000000000000000, -0.0000652900000000 ] - [ -0.0030055100000000, 0.0001125700000000, 0.0000343400000000 ] - [ -0.0030055100000000, -0.0001125700000000, 0.0000343400000000 ] - [ -0.0007692200000000, 0.0000000000000000, 0.0000289100000000 ] - [ 0.0036320700000000, 0.0014502400000000, 0.0016051200000000 ] - [ 0.0036320700000000, -0.0014502400000000, 0.0016051200000000 ] - [ 0.0003866700000000, 0.0000000000000000, 0.0002325500000000 ] - [ 0.0042337500000000, -0.0015363300000000, -0.0025378000000000 ] - [ 0.0042337500000000, 0.0015363300000000, -0.0025378000000000 ] - [ 0.0043844000000000, 0.0000000000000000, -0.0032846100000000 ] - [ 0.0242983800000000, -0.0311086600000000, -0.0002979000000000 ] - [ 0.0242983800000000, 0.0311086600000000, -0.0002979000000000 ] - [ 0.0090905700000000, 0.0000000000000000, -0.0028535500000000 ] - [ 0.0138436100000000, 0.0328655400000000, -0.0103827700000000 ] - [ 0.0138436100000000, -0.0328655400000000, -0.0103827700000000 ] - [ 0.0018707100000000, 0.0000000000000000, -0.0076622900000000 ] - [ -0.0009549100000000, 0.0000000000000000, 0.0007702400000000 ] - [ -0.0007013700000000, 0.0001394100000000, -0.0008180100000000 ] - [ -0.0007013700000000, -0.0001394100000000, -0.0008180100000000 ] - [ 0.0078306500000000, 0.0000000000000000, 0.0001647000000000 ] - [ 0.0030528500000000, -0.0000042100000000, 0.0002646000000000 ] - [ 0.0030528500000000, 0.0000042100000000, 0.0002646000000000 ] - [ 0.0080937500000000, 0.0000000000000000, -0.0321525800000000 ] - [ -0.0007826200000000, -0.0012548700000000, -0.0042695000000000 ] - [ -0.0007826200000000, 0.0012548700000000, -0.0042695000000000 ] - [ -0.0028744300000000, 0.0000000000000000, -0.0008791500000000 ] - [ 0.0009316200000000, 0.0000287100000000, 0.0000426300000000 ] - [ 0.0009316200000000, -0.0000287100000000, 0.0000426300000000 ] - [ 0.0103528600000000, 0.0000000000000000, 0.0265657500000000 ] - [ -0.0005809700000000, 0.0011877200000000, 0.0007799600000000 ] - [ -0.0005809700000000, -0.0011877200000000, 0.0007799600000000 ] - [ 0.0026278400000000, 0.0000000000000000, -0.0001371400000000 ] - [ 0.0024855100000000, 0.0000020100000000, -0.0001160500000000 ] - [ 0.0024855100000000, -0.0000020100000000, -0.0001160500000000 ] - [ 0.0007828800000000, 0.0000000000000000, -0.0032040900000000 ] - [ 0.0004224900000000, -0.0001633000000000, -0.0019006400000000 ] - [ 0.0004224900000000, 0.0001633000000000, -0.0019006400000000 ] - [ -0.0005610600000000, 0.0000000000000000, -0.0041902800000000 ] - [ -0.0005919700000000, 0.0001965900000000, -0.0026871300000000 ] - [ -0.0005919700000000, -0.0001965900000000, -0.0026871300000000 ] - [ 0.0028816000000000, 0.0000000000000000, 0.0004835200000000 ] - [ 0.0026889200000000, 0.0000085700000000, 0.0005002700000000 ] - [ 0.0026889200000000, -0.0000085700000000, 0.0005002700000000 ] - [ -0.0003901800000000, 0.0000000000000000, -0.0011913900000000 ] - [ -0.0004500400000000, -0.0000216500000000, -0.0012312000000000 ] - [ -0.0004500400000000, 0.0000216500000000, -0.0012312000000000 ] - [ 0.0022731300000000, 0.0000000000000000, 0.0003730400000000 ] - [ 0.0024095100000000, -0.0000122300000000, 0.0003954100000000 ] - [ 0.0024095100000000, 0.0000122300000000, 0.0003954100000000 ] - [ 0.0000413300000000, 0.0000000000000000, -0.0015933500000000 ] - [ 0.0001055800000000, 0.0000213600000000, -0.0016275700000000 ] - [ 0.0001055800000000, -0.0000213600000000, -0.0016275700000000 ] - [ 0.0094312700000000, 0.0000000000000000, -0.0006166100000000 ] - [ 0.0041276500000000, 0.0000215400000000, -0.0003471600000000 ] - [ 0.0041276500000000, -0.0000215400000000, -0.0003471600000000 ] - [ -0.0000810400000000, 0.0000000000000000, 0.0012832900000000 ] - [ -0.0002728600000000, -0.0001924900000000, -0.0007444600000000 ] - [ -0.0002728600000000, 0.0001924900000000, -0.0007444600000000 ] - [ 0.1049764600000000, 0.0000000000000000, 0.0021122400000000 ] - [ 0.0099153300000000, -0.0000990500000000, 0.0000206400000000 ] - [ 0.0099153300000000, 0.0000990500000000, 0.0000206400000000 ] - [ 0.0135129200000000, 0.0000000000000000, 0.0274531300000000 ] - [ 0.0006486700000000, -0.0011693900000000, 0.0019117400000000 ] - [ 0.0006486700000000, 0.0011693900000000, 0.0019117400000000 ] - [ -0.0025432800000000, 0.0000000000000000, -0.0005883700000000 ] - [ 0.0012007300000000, 0.0000451500000000, -0.0001778400000000 ] - [ 0.0012007300000000, -0.0000451500000000, -0.0001778400000000 ] - [ 0.0169288300000000, 0.0000000000000000, -0.0277173300000000 ] - [ -0.0000328800000000, 0.0013104900000000, -0.0039047700000000 ] - [ -0.0000328800000000, -0.0013104900000000, -0.0039047700000000 ] - [ 0.0020258400000000, 0.0000000000000000, 0.0001649500000000 ] - [ 0.0022093300000000, 0.0000009400000000, 0.0001561600000000 ] - [ 0.0022093300000000, -0.0000009400000000, 0.0001561600000000 ] - [ -0.2662719200000000, 0.0000000000000000, 0.0096547000000000 ] - [ -0.0044278200000000, -0.0001533500000000, 0.0004265800000000 ] - [ -0.0044278200000000, 0.0001533500000000, 0.0004265800000000 ] - [ 0.0054949500000000, -0.0001014000000000, -0.0034171300000000 ] - [ 0.0054949500000000, 0.0001014000000000, -0.0034171300000000 ] - [ 0.0055050300000000, 0.0000000000000000, -0.0034293100000000 ] - [ 0.0046413000000000, -0.0001049400000000, -0.0035689800000000 ] - [ 0.0046413000000000, 0.0001049400000000, -0.0035689800000000 ] - [ 0.0046436700000000, 0.0000000000000000, -0.0035450100000000 ] - [ 0.0049509600000000, 0.0017285900000000, -0.0038415500000000 ] - [ 0.0049509600000000, -0.0017285900000000, -0.0038415500000000 ] - [ 0.0050330500000000, 0.0000000000000000, -0.0030724300000000 ] - [ 0.0067114400000000, -0.0017737800000000, -0.0021753700000000 ] - [ 0.0067114400000000, 0.0017737800000000, -0.0021753700000000 ] - [ 0.0067963500000000, 0.0000000000000000, -0.0011737400000000 ] - [ 0.0047338800000000, 0.0000988800000000, -0.0044646200000000 ] - [ 0.0047338800000000, -0.0000988800000000, -0.0044646200000000 ] - [ 0.0047310100000000, 0.0000000000000000, -0.0044445100000000 ] - [ 0.0052350700000000, 0.0001091500000000, -0.0038924900000000 ] - [ 0.0052350700000000, -0.0001091500000000, -0.0038924900000000 ] - [ 0.0052271600000000, 0.0000000000000000, -0.0039168400000000 ] - [ 0.0068191800000000, 0.0017494800000000, 0.0057566100000000 ] - [ 0.0068191800000000, -0.0017494800000000, 0.0057566100000000 ] - [ 0.0069045400000000, 0.0000000000000000, 0.0048795400000000 ] - [ 0.0085153400000000, 0.0008817100000000, -0.0013076800000000 ] - [ 0.0085153400000000, -0.0008817100000000, -0.0013076800000000 ] - [ 0.0017665500000000, 0.0000000000000000, 0.0001631300000000 ] - [ -0.0008855900000000, 0.0000453700000000, 0.0000645600000000 ] - [ -0.0008855900000000, -0.0000453700000000, 0.0000645600000000 ] - [ -0.0006197200000000, 0.0000000000000000, 0.0000891700000000 ] - [ -0.0005413700000000, 0.0000037200000000, -0.0001211300000000 ] - [ -0.0005413700000000, -0.0000037200000000, -0.0001211300000000 ] - [ -0.0005137700000000, 0.0000000000000000, -0.0001262800000000 ] - [ 0.0005382300000000, -0.0001535700000000, 0.0001991300000000 ] - [ 0.0005382300000000, 0.0001535700000000, 0.0001991300000000 ] - [ 0.0002618300000000, 0.0000000000000000, 0.0001016200000000 ] - [ -0.0004388000000000, -0.0000033500000000, 0.0000922600000000 ] - [ -0.0004388000000000, 0.0000033500000000, 0.0000922600000000 ] - [ -0.0004666700000000, 0.0000000000000000, 0.0000867000000000 ] - [ -0.0005285000000000, 0.0000637100000000, 0.0001384400000000 ] - [ -0.0005285000000000, -0.0000637100000000, 0.0001384400000000 ] - [ -0.0002428600000000, 0.0000000000000000, 0.0000793200000000 ] - [ 0.0001136400000000, -0.0000257300000000, -0.0001215100000000 ] - [ 0.0001136400000000, 0.0000257300000000, -0.0001215100000000 ] - [ -0.0002225200000000, 0.0000000000000000, -0.0001383700000000 ] - [ -0.0067671700000000, 0.0000000000000000, -0.0208289200000000 ] - [ -0.0091672500000000, 0.0013040000000000, -0.0054285400000000 ] - [ -0.0091672500000000, -0.0013040000000000, -0.0054285400000000 ] - [ -0.0191707700000000, 0.0000000000000000, -0.0062589400000000 ] - [ -0.0121536300000000, -0.0168074000000000, 0.0046418500000000 ] - [ -0.0121536300000000, 0.0168074000000000, 0.0046418500000000 ] - [ 0.0515447000000000, 0.0000000000000000, 0.0102114700000000 ] - [ -0.0039818600000000, 0.0180955500000000, 0.0084622600000000 ] - [ -0.0039818600000000, -0.0180955500000000, 0.0084622600000000 ] - [ -0.0075114100000000, 0.0000000000000000, -0.0076538700000000 ] - [ -0.0063388000000000, -0.0009619500000000, 0.0034092300000000 ] - [ -0.0063388000000000, 0.0009619500000000, 0.0034092300000000 ] - [ -0.0064186000000000, 0.0000000000000000, 0.0065498400000000 ] - [ -0.0063952800000000, 0.0000561000000000, 0.0061798000000000 ] - [ -0.0063952800000000, -0.0000561000000000, 0.0061798000000000 ] - [ -0.0074792500000000, 0.0000000000000000, 0.0042325100000000 ] - [ -0.0075237700000000, -0.0000477800000000, 0.0045974000000000 ] - [ -0.0075237700000000, 0.0000477800000000, 0.0045974000000000 ] - [ -0.0079174300000000, 0.0000000000000000, 0.0177707800000000 ] - [ -0.0068591500000000, 0.0010774100000000, 0.0053688700000000 ] - [ -0.0068591500000000, -0.0010774100000000, 0.0053688700000000 ] - [ -0.0069379300000000, 0.0000000000000000, 0.0053754300000000 ] - [ -0.0069672800000000, -0.0000595000000000, 0.0049473500000000 ] - [ -0.0069672800000000, 0.0000595000000000, 0.0049473500000000 ] - [ -0.0084554900000000, 0.0000000000000000, 0.0178556000000000 ] - [ -0.0087477600000000, -0.0013093400000000, 0.0042048300000000 ] - [ -0.0087477600000000, 0.0013093400000000, 0.0042048300000000 ] - [ -0.0070750800000000, 0.0000000000000000, 0.0044059800000000 ] - [ -0.0070028700000000, 0.0000542800000000, 0.0049056800000000 ] - [ -0.0070028700000000, -0.0000542800000000, 0.0049056800000000 ]- atom: 76 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0018358900000000, 0.0001176600000000, -0.0002420400000000 ] - [ 0.0018358900000000, -0.0001176600000000, -0.0002420400000000 ] - [ -0.0000791100000000, 0.0000000000000000, -0.0000705100000000 ] - [ 0.0027284900000000, -0.0000948100000000, 0.0000907100000000 ] - [ 0.0027284900000000, 0.0000948100000000, 0.0000907100000000 ] - [ 0.0005011800000000, 0.0000000000000000, 0.0000903300000000 ] - [ -0.0038856200000000, -0.0015667500000000, -0.0010911700000000 ] - [ -0.0038856200000000, 0.0015667500000000, -0.0010911700000000 ] - [ -0.0006949300000000, 0.0000000000000000, 0.0003901300000000 ] - [ 0.0047278100000000, 0.0015306200000000, -0.0048668900000000 ] - [ 0.0047278100000000, -0.0015306200000000, -0.0048668900000000 ] - [ 0.0045888200000000, 0.0000000000000000, -0.0041121700000000 ] - [ -0.0050307900000000, 0.0306358400000000, -0.0065456900000000 ] - [ -0.0050307900000000, -0.0306358400000000, -0.0065456900000000 ] - [ 0.0101870800000000, 0.0000000000000000, -0.0040220000000000 ] - [ -0.0109270400000000, -0.0331187800000000, -0.0040370300000000 ] - [ -0.0109270400000000, 0.0331187800000000, -0.0040370300000000 ] - [ 0.0008976400000000, 0.0000000000000000, -0.0067635300000000 ] - [ -0.0003374500000000, 0.0000000000000000, -0.0033664600000000 ] - [ -0.0005938600000000, -0.0001395400000000, -0.0017883400000000 ] - [ -0.0005938600000000, 0.0001395400000000, -0.0017883400000000 ] - [ -0.0038640700000000, 0.0000000000000000, 0.0003531500000000 ] - [ 0.0008900700000000, 0.0000036200000000, 0.0002498400000000 ] - [ 0.0008900700000000, -0.0000036200000000, 0.0002498400000000 ] - [ -0.0084872600000000, 0.0000000000000000, 0.0283537700000000 ] - [ 0.0001554300000000, 0.0012428600000000, 0.0003245200000000 ] - [ 0.0001554300000000, -0.0012428600000000, 0.0003245200000000 ] - [ 0.0067637100000000, 0.0000000000000000, 0.0009840300000000 ] - [ 0.0029636100000000, -0.0000419800000000, 0.0000575900000000 ] - [ 0.0029636100000000, 0.0000419800000000, 0.0000575900000000 ] - [ -0.0105693300000000, 0.0000000000000000, -0.0289339800000000 ] - [ 0.0004643300000000, -0.0011932200000000, -0.0034063100000000 ] - [ 0.0004643300000000, 0.0011932200000000, -0.0034063100000000 ] - [ 0.0019310700000000, 0.0000000000000000, -0.0000495300000000 ] - [ 0.0020734800000000, -0.0000018600000000, -0.0000705100000000 ] - [ 0.0020734800000000, 0.0000018600000000, -0.0000705100000000 ] - [ -0.0000920700000000, 0.0000000000000000, 0.0007286100000000 ] - [ 0.0002657000000000, 0.0001624300000000, -0.0005744100000000 ] - [ 0.0002657000000000, -0.0001624300000000, -0.0005744100000000 ] - [ -0.0004547800000000, 0.0000000000000000, 0.0002636200000000 ] - [ -0.0004199400000000, -0.0001942000000000, -0.0012098400000000 ] - [ -0.0004199400000000, 0.0001942000000000, -0.0012098400000000 ] - [ 0.0020844100000000, 0.0000000000000000, 0.0005912000000000 ] - [ 0.0022761100000000, -0.0000076700000000, 0.0005770100000000 ] - [ 0.0022761100000000, 0.0000076700000000, 0.0005770100000000 ] - [ -0.0005651200000000, 0.0000000000000000, -0.0011304100000000 ] - [ -0.0005056400000000, 0.0000218100000000, -0.0010879700000000 ] - [ -0.0005056400000000, -0.0000218100000000, -0.0010879700000000 ] - [ 0.0029388100000000, 0.0000000000000000, 0.0005078500000000 ] - [ 0.0027998500000000, 0.0000125800000000, 0.0004856600000000 ] - [ 0.0027998500000000, -0.0000125800000000, 0.0004856600000000 ] - [ 0.0002229700000000, 0.0000000000000000, -0.0014354100000000 ] - [ 0.0001577000000000, -0.0000206200000000, -0.0013982800000000 ] - [ 0.0001577000000000, 0.0000206200000000, -0.0013982800000000 ] - [ -0.0035134200000000, 0.0000000000000000, -0.0001152900000000 ] - [ 0.0017501400000000, -0.0000206500000000, -0.0003541500000000 ] - [ 0.0017501400000000, 0.0000206500000000, -0.0003541500000000 ] - [ -0.0004698300000000, 0.0000000000000000, -0.0041290500000000 ] - [ -0.0002900600000000, 0.0001929700000000, -0.0020847900000000 ] - [ -0.0002900600000000, -0.0001929700000000, -0.0020847900000000 ] - [ -0.1019978800000000, 0.0000000000000000, -0.0022809000000000 ] - [ -0.0070399300000000, 0.0001117700000000, -0.0003824200000000 ] - [ -0.0070399300000000, -0.0001117700000000, -0.0003824200000000 ] - [ -0.0126252000000000, 0.0000000000000000, -0.0286725600000000 ] - [ 0.0001940700000000, 0.0011634600000000, -0.0028181400000000 ] - [ 0.0001940700000000, -0.0011634600000000, -0.0028181400000000 ] - [ 0.0072461200000000, 0.0000000000000000, 0.0003058100000000 ] - [ 0.0034939100000000, -0.0000501800000000, -0.0001477100000000 ] - [ 0.0034939100000000, 0.0000501800000000, -0.0001477100000000 ] - [ -0.0170638000000000, 0.0000000000000000, 0.0230238900000000 ] - [ -0.0002230900000000, -0.0013077200000000, -0.0002340600000000 ] - [ -0.0002230900000000, 0.0013077200000000, -0.0002340600000000 ] - [ 0.0028341100000000, 0.0000000000000000, 0.0002027100000000 ] - [ 0.0026496900000000, -0.0000003400000000, 0.0002146100000000 ] - [ 0.0026496900000000, 0.0000003400000000, 0.0002146100000000 ] - [ 0.2748067100000000, 0.0000000000000000, -0.0108845500000000 ] - [ 0.0092431800000000, 0.0001549400000000, 0.0000940300000000 ] - [ 0.0092431800000000, -0.0001549400000000, 0.0000940300000000 ] - [ 0.0055587900000000, 0.0000998300000000, -0.0035206700000000 ] - [ 0.0055587900000000, -0.0000998300000000, -0.0035206700000000 ] - [ 0.0055484800000000, 0.0000000000000000, -0.0035081300000000 ] - [ 0.0046581400000000, 0.0001019000000000, -0.0032476000000000 ] - [ 0.0046581400000000, -0.0001019000000000, -0.0032476000000000 ] - [ 0.0046558300000000, 0.0000000000000000, -0.0032708400000000 ] - [ 0.0049522900000000, -0.0017223500000000, -0.0013284400000000 ] - [ 0.0049522900000000, 0.0017223500000000, -0.0013284400000000 ] - [ 0.0048626600000000, 0.0000000000000000, -0.0020876000000000 ] - [ 0.0071206700000000, 0.0017477900000000, 0.0008245900000000 ] - [ 0.0071206700000000, -0.0017477900000000, 0.0008245900000000 ] - [ 0.0070468100000000, 0.0000000000000000, -0.0001742300000000 ] - [ 0.0047050700000000, -0.0000995100000000, -0.0042067000000000 ] - [ 0.0047050700000000, 0.0000995100000000, -0.0042067000000000 ] - [ 0.0047077800000000, 0.0000000000000000, -0.0042269400000000 ] - [ 0.0051692400000000, -0.0001118500000000, -0.0041079400000000 ] - [ 0.0051692400000000, 0.0001118500000000, -0.0041079400000000 ] - [ 0.0051771200000000, 0.0000000000000000, -0.0040828500000000 ] - [ 0.0069457400000000, -0.0017540400000000, 0.0029825000000000 ] - [ 0.0069457400000000, 0.0017540400000000, 0.0029825000000000 ] - [ 0.0068513900000000, 0.0000000000000000, 0.0038548300000000 ] - [ -0.0076102700000000, -0.0010595300000000, 0.0017227100000000 ] - [ -0.0076102700000000, 0.0010595300000000, 0.0017227100000000 ] - [ -0.0008982600000000, 0.0000000000000000, 0.0000453500000000 ] - [ 0.0002772700000000, -0.0000459900000000, 0.0001167300000000 ] - [ 0.0002772700000000, 0.0000459900000000, 0.0001167300000000 ] - [ 0.0000126400000000, 0.0000000000000000, 0.0000913900000000 ] - [ -0.0002511800000000, -0.0000028600000000, -0.0002133800000000 ] - [ -0.0002511800000000, 0.0000028600000000, -0.0002133800000000 ] - [ -0.0002792700000000, 0.0000000000000000, -0.0002089000000000 ] - [ -0.0006078000000000, 0.0001535400000000, -0.0000934900000000 ] - [ -0.0006078000000000, -0.0001535400000000, -0.0000934900000000 ] - [ -0.0003318400000000, 0.0000000000000000, 0.0000005000000000 ] - [ -0.0007235900000000, 0.0000046500000000, -0.0000088600000000 ] - [ -0.0007235900000000, -0.0000046500000000, -0.0000088600000000 ] - [ -0.0006959200000000, 0.0000000000000000, -0.0000054300000000 ] - [ 0.0007054200000000, -0.0000576800000000, -0.0000766200000000 ] - [ 0.0007054200000000, 0.0000576800000000, -0.0000766200000000 ] - [ 0.0004215600000000, 0.0000000000000000, -0.0000201500000000 ] - [ -0.0013244100000000, 0.0000268600000000, -0.0002065400000000 ] - [ -0.0013244100000000, -0.0000268600000000, -0.0002065400000000 ] - [ -0.0009900900000000, 0.0000000000000000, -0.0001854600000000 ] - [ -0.0122248600000000, 0.0000000000000000, 0.0142226100000000 ] - [ -0.0097169400000000, -0.0012983900000000, -0.0011978800000000 ] - [ -0.0097169400000000, 0.0012983900000000, -0.0011978800000000 ] - [ 0.0021377800000000, 0.0000000000000000, 0.0170845000000000 ] - [ -0.0102084300000000, 0.0166912400000000, 0.0057133000000000 ] - [ -0.0102084300000000, -0.0166912400000000, 0.0057133000000000 ] - [ -0.0683576500000000, 0.0000000000000000, 0.0079149400000000 ] - [ -0.0029889000000000, -0.0180834500000000, 0.0085149700000000 ] - [ -0.0029889000000000, 0.0180834500000000, 0.0085149700000000 ] - [ -0.0044390700000000, 0.0000000000000000, 0.0174377500000000 ] - [ -0.0055917300000000, 0.0009639900000000, 0.0064149800000000 ] - [ -0.0055917300000000, -0.0009639900000000, 0.0064149800000000 ] - [ -0.0063739800000000, 0.0000000000000000, 0.0049931900000000 ] - [ -0.0063945200000000, -0.0000577900000000, 0.0053568900000000 ] - [ -0.0063945200000000, 0.0000577900000000, 0.0053568900000000 ] - [ -0.0075647000000000, 0.0000000000000000, 0.0053188600000000 ] - [ -0.0075207500000000, 0.0000490300000000, 0.0049594900000000 ] - [ -0.0075207500000000, -0.0000490300000000, 0.0049594900000000 ] - [ -0.0056114900000000, 0.0000000000000000, -0.0104689900000000 ] - [ -0.0066664800000000, -0.0010658100000000, 0.0019105600000000 ] - [ -0.0066664800000000, 0.0010658100000000, 0.0019105600000000 ] - [ -0.0069756000000000, 0.0000000000000000, 0.0036085100000000 ] - [ -0.0069428000000000, 0.0000564400000000, 0.0040202600000000 ] - [ -0.0069428000000000, -0.0000564400000000, 0.0040202600000000 ] - [ -0.0090075400000000, 0.0000000000000000, -0.0126637100000000 ] - [ -0.0087685900000000, 0.0012994100000000, 0.0008106400000000 ] - [ -0.0087685900000000, -0.0012994100000000, 0.0008106400000000 ] - [ -0.0069250300000000, 0.0000000000000000, 0.0059084100000000 ] - [ -0.0069973200000000, -0.0000553700000000, 0.0054030900000000 ] - [ -0.0069973200000000, 0.0000553700000000, 0.0054030900000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005711300000000, 0.0004336600000000, 0.0009452400000000 ] - [ -0.0005009500000000, 0.0004548000000000, -0.0010748300000000 ] - [ -0.0005354200000000, -0.0007256600000000, -0.0000681400000000 ] - [ -0.0001153000000000, 0.0004257500000000, -0.0008127900000000 ] - [ -0.0001510000000000, 0.0004427900000000, 0.0009282100000000 ] - [ -0.0001325600000000, -0.0006790600000000, 0.0000607000000000 ] - [ 0.0002831500000000, -0.0007389300000000, -0.0026077800000000 ] - [ -0.0005883300000000, -0.0006825600000000, 0.0031956500000000 ] - [ -0.0001556400000000, -0.0007442900000000, 0.0003130000000000 ] - [ 0.0041237700000000, -0.0006538700000000, -0.0041325800000000 ] - [ 0.0048547800000000, -0.0006717500000000, -0.0032647000000000 ] - [ 0.0044878100000000, 0.0012289800000000, -0.0036973800000000 ] - [ -0.0056713700000000, 0.0120597100000000, -0.0052452500000000 ] - [ 0.0252200500000000, 0.0121822600000000, -0.0016071900000000 ] - [ 0.0096425500000000, 0.0067821000000000, -0.0034416800000000 ] - [ 0.0158257100000000, 0.0122689600000000, -0.0091767400000000 ] - [ -0.0132925200000000, 0.0123436600000000, -0.0052251500000000 ] - [ 0.0013768800000000, 0.0066775100000000, -0.0072140900000000 ] - [ -0.0006466700000000, -0.0002542300000000, -0.0013086600000000 ] - [ -0.0006435900000000, 0.0000987800000000, -0.0008374500000000 ] - [ -0.0006499800000000, 0.0001010800000000, -0.0017594600000000 ] - [ 0.0019741200000000, -0.0002608700000000, 0.0002478800000000 ] - [ 0.0019846200000000, 0.0001702600000000, 0.0006168000000000 ] - [ 0.0019555600000000, 0.0001734000000000, -0.0000999700000000 ] - [ -0.0003056200000000, -0.0046291000000000, -0.0020511200000000 ] - [ -0.0003176300000000, 0.0011749700000000, 0.0000127700000000 ] - [ -0.0003210100000000, 0.0011762500000000, -0.0039505500000000 ] - [ 0.0019419200000000, -0.0008152500000000, 0.0000478400000000 ] - [ 0.0018737600000000, 0.0005037200000000, 0.0007315600000000 ] - [ 0.0020187300000000, 0.0005025000000000, -0.0006133500000000 ] - [ -0.0000595800000000, -0.0043294400000000, -0.0013811000000000 ] - [ 0.0000524300000000, 0.0011502400000000, 0.0005520700000000 ] - [ -0.0001518100000000, 0.0011500400000000, -0.0031853500000000 ] - [ 0.0022790000000000, -0.0000616900000000, -0.0000929400000000 ] - [ 0.0022858600000000, 0.0000298600000000, -0.0000327000000000 ] - [ 0.0022725100000000, 0.0000308200000000, -0.0001509100000000 ] - [ 0.0003435500000000, -0.0002292900000000, -0.0012402100000000 ] - [ 0.0003122800000000, 0.0000927000000000, -0.0007547300000000 ] - [ 0.0003743900000000, 0.0000952000000000, -0.0017072500000000 ] - [ -0.0005044100000000, -0.0002078800000000, -0.0019411500000000 ] - [ -0.0005227100000000, 0.0001008800000000, -0.0023929700000000 ] - [ -0.0004879600000000, 0.0001029400000000, -0.0015032400000000 ] - [ 0.0024814200000000, -0.0000666400000000, 0.0005397300000000 ] - [ 0.0024813100000000, 0.0000336000000000, 0.0004788000000000 ] - [ 0.0024831800000000, 0.0000346500000000, 0.0005990900000000 ] - [ -0.0004778200000000, -0.0000523700000000, -0.0011574000000000 ] - [ -0.0004854600000000, 0.0000254400000000, -0.0011635100000000 ] - [ -0.0004702300000000, 0.0000266000000000, -0.0011511900000000 ] - [ 0.0026058500000000, -0.0000612400000000, 0.0004410300000000 ] - [ 0.0026142600000000, 0.0000307600000000, 0.0004898500000000 ] - [ 0.0025966400000000, 0.0000317300000000, 0.0003944900000000 ] - [ 0.0001318600000000, -0.0000553700000000, -0.0015104500000000 ] - [ 0.0001267900000000, 0.0000245200000000, -0.0015098400000000 ] - [ 0.0001366900000000, 0.0000251800000000, -0.0015110700000000 ] - [ 0.0029362800000000, -0.0001362700000000, -0.0003426100000000 ] - [ 0.0028959700000000, 0.0001299500000000, -0.0007428900000000 ] - [ 0.0029744400000000, 0.0001325100000000, 0.0000376900000000 ] - [ -0.0002826100000000, -0.0001724600000000, -0.0014082900000000 ] - [ -0.0002901000000000, 0.0001010700000000, -0.0019560700000000 ] - [ -0.0002735800000000, 0.0001030800000000, -0.0008800000000000 ] - [ 0.0014320800000000, 0.0036668300000000, -0.0002136600000000 ] - [ 0.0012095100000000, 0.0029295300000000, -0.0000063900000000 ] - [ 0.0016284200000000, 0.0029120000000000, -0.0003555100000000 ] - [ 0.0004330200000000, -0.0039514800000000, -0.0003993600000000 ] - [ 0.0004224100000000, 0.0008474900000000, -0.0024908900000000 ] - [ 0.0004157800000000, 0.0008499400000000, 0.0015641500000000 ] - [ 0.0023475400000000, -0.0007969600000000, -0.0001655000000000 ] - [ 0.0022963800000000, 0.0002963300000000, -0.0007167600000000 ] - [ 0.0024015900000000, 0.0002967900000000, 0.0003788700000000 ] - [ -0.0001431700000000, -0.0043320100000000, -0.0020162400000000 ] - [ -0.0000294100000000, 0.0009276700000000, -0.0040160600000000 ] - [ -0.0002211300000000, 0.0009283900000000, -0.0001306600000000 ] - [ 0.0024310400000000, -0.0000593700000000, 0.0001864000000000 ] - [ 0.0024326100000000, 0.0000277300000000, 0.0001205700000000 ] - [ 0.0024276600000000, 0.0000284900000000, 0.0002503400000000 ] - [ 0.0022547600000000, -0.0499869700000000, 0.0003160300000000 ] - [ 0.0025675300000000, 0.0022461300000000, 0.0003636100000000 ] - [ 0.0022592300000000, 0.0022477800000000, 0.0001622400000000 ] - [ 0.0055256200000000, -0.0001062900000000, -0.0034986000000000 ] - [ 0.0055285900000000, -0.0001094900000000, -0.0034369600000000 ] - [ 0.0055271100000000, 0.0002075700000000, -0.0034671900000000 ] - [ 0.0046484000000000, -0.0000949000000000, -0.0033741400000000 ] - [ 0.0046514100000000, -0.0000987400000000, -0.0034397900000000 ] - [ 0.0046498800000000, 0.0001897500000000, -0.0034074800000000 ] - [ 0.0052155200000000, -0.0006973100000000, -0.0029649100000000 ] - [ 0.0046744200000000, -0.0007180800000000, -0.0021950600000000 ] - [ 0.0049463500000000, 0.0012985200000000, -0.0025779000000000 ] - [ 0.0067349100000000, -0.0005840300000000, -0.0002945100000000 ] - [ 0.0071133800000000, -0.0005995200000000, -0.0010512200000000 ] - [ 0.0069229500000000, 0.0011777700000000, -0.0006743800000000 ] - [ 0.0047144300000000, -0.0001033700000000, -0.0043654800000000 ] - [ 0.0047243700000000, -0.0001077500000000, -0.0043028800000000 ] - [ 0.0047193300000000, 0.0002068400000000, -0.0043340200000000 ] - [ 0.0051982700000000, -0.0000975800000000, -0.0039621100000000 ] - [ 0.0052060000000000, -0.0001004600000000, -0.0040372100000000 ] - [ 0.0052022100000000, 0.0002007800000000, -0.0040001000000000 ] - [ 0.0069896600000000, -0.0006366000000000, 0.0046582100000000 ] - [ 0.0067621900000000, -0.0006536600000000, 0.0040754200000000 ] - [ 0.0068770000000000, 0.0012748700000000, 0.0043650100000000 ] - [ 0.0007732500000000, -0.0020223000000000, 0.0065647000000000 ] - [ 0.0000927000000000, -0.0019754000000000, -0.0063534500000000 ] - [ 0.0004315900000000, -0.0015884500000000, 0.0001042700000000 ] - [ -0.0002992300000000, 0.0001348900000000, 0.0002695000000000 ] - [ -0.0003066100000000, 0.0001420000000000, -0.0000897000000000 ] - [ -0.0003025900000000, -0.0002838500000000, 0.0000880200000000 ] - [ -0.0003955800000000, 0.0000447500000000, -0.0001662300000000 ] - [ -0.0003958100000000, 0.0000466600000000, -0.0001714900000000 ] - [ -0.0003959600000000, -0.0000929500000000, -0.0001690800000000 ] - [ -0.0000385600000000, 0.0001734800000000, 0.0002820300000000 ] - [ -0.0000327800000000, 0.0001789700000000, -0.0001847100000000 ] - [ -0.0000355300000000, -0.0003475700000000, 0.0000470600000000 ] - [ -0.0005813300000000, 0.0000456800000000, 0.0000412700000000 ] - [ -0.0005812200000000, 0.0000472700000000, 0.0000385100000000 ] - [ -0.0005816400000000, -0.0000917900000000, 0.0000389600000000 ] - [ 0.0000840400000000, 0.0001376300000000, -0.0001294300000000 ] - [ 0.0000958700000000, 0.0001430000000000, 0.0001861100000000 ] - [ 0.0000901600000000, -0.0002814200000000, 0.0000302300000000 ] - [ -0.0006031300000000, 0.0001548100000000, -0.0003430300000000 ] - [ -0.0006109100000000, 0.0001587900000000, 0.0000180700000000 ] - [ -0.0006070000000000, -0.0003063700000000, -0.0001609100000000 ] - [ -0.0094247400000000, 0.0015092200000000, -0.0033393700000000 ] - [ -0.0093657700000000, -0.0007744900000000, -0.0012206000000000 ] - [ -0.0095057500000000, -0.0007864700000000, -0.0053772400000000 ] - [ -0.0114655300000000, 0.0189137500000000, 0.0051819800000000 ] - [ -0.0114391800000000, -0.0119921600000000, 0.0053242000000000 ] - [ -0.0109440800000000, -0.0119412300000000, 0.0050456200000000 ] - [ -0.0030833100000000, 0.0212280400000000, 0.0084690000000000 ] - [ -0.0036402400000000, -0.0130546300000000, 0.0086656300000000 ] - [ -0.0032849400000000, -0.0130268600000000, 0.0083211900000000 ] - [ -0.0059728100000000, 0.0014069400000000, 0.0049377800000000 ] - [ -0.0062765000000000, -0.0006764600000000, 0.0032450000000000 ] - [ -0.0056656400000000, -0.0006859400000000, 0.0065682300000000 ] - [ -0.0063952100000000, 0.0001764000000000, 0.0057698300000000 ] - [ -0.0064118800000000, -0.0000853800000000, 0.0055141100000000 ] - [ -0.0063783600000000, -0.0000874900000000, 0.0060114800000000 ] - [ -0.0075217000000000, 0.0001804200000000, 0.0047766100000000 ] - [ -0.0075205800000000, -0.0000825000000000, 0.0045263000000000 ] - [ -0.0075245800000000, -0.0000876500000000, 0.0050211400000000 ] - [ -0.0067523600000000, 0.0014185500000000, 0.0036744700000000 ] - [ -0.0063979000000000, -0.0006588100000000, 0.0018731800000000 ] - [ -0.0071101700000000, -0.0006747700000000, 0.0053859100000000 ] - [ -0.0069556100000000, 0.0001670600000000, 0.0044804400000000 ] - [ -0.0069603900000000, -0.0000796200000000, 0.0046978500000000 ] - [ -0.0069502900000000, -0.0000820000000000, 0.0042662100000000 ] - [ -0.0087686200000000, 0.0013385500000000, 0.0024804400000000 ] - [ -0.0087839400000000, -0.0006612900000000, 0.0042843200000000 ] - [ -0.0087408400000000, -0.0006714400000000, 0.0007433600000000 ] - [ -0.0070001100000000, 0.0001741600000000, 0.0051499300000000 ] - [ -0.0069846400000000, -0.0000849200000000, 0.0053948000000000 ] - [ -0.0070150900000000, -0.0000881900000000, 0.0049139300000000 ]- atom: 76 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0004479000000000, 0.0008890900000000, 0.0005378300000000 ] - [ -0.0004479000000000, -0.0008890900000000, 0.0005378300000000 ] - [ -0.0005348200000000, 0.0000000000000000, 0.0002579600000000 ] - [ -0.0001352000000000, -0.0010377000000000, 0.0005527300000000 ] - [ -0.0001352000000000, 0.0010377000000000, 0.0005527300000000 ] - [ -0.0001373000000000, 0.0000000000000000, 0.0003338800000000 ] - [ 0.0004302100000000, -0.0035875000000000, -0.0005933600000000 ] - [ 0.0004302100000000, 0.0035875000000000, -0.0005933600000000 ] - [ -0.0001480900000000, 0.0000000000000000, 0.0006524600000000 ] - [ 0.0046671000000000, -0.0019494500000000, -0.0030449100000000 ] - [ 0.0046671000000000, 0.0019494500000000, -0.0030449100000000 ] - [ 0.0044535000000000, 0.0000000000000000, -0.0037230000000000 ] - [ 0.0102877200000000, -0.0003832700000000, -0.0083042700000000 ] - [ 0.0102877200000000, 0.0003832700000000, -0.0083042700000000 ] - [ 0.0096826300000000, 0.0000000000000000, -0.0041503400000000 ] - [ 0.0003864300000000, -0.0012831900000000, -0.0121431500000000 ] - [ 0.0003864300000000, 0.0012831900000000, -0.0121431500000000 ] - [ 0.0012930800000000, 0.0000000000000000, -0.0078854100000000 ] - [ -0.0005857400000000, 0.0000000000000000, 0.0019496300000000 ] - [ -0.0006040300000000, 0.0002435600000000, -0.0003601000000000 ] - [ -0.0006040300000000, -0.0002435600000000, -0.0003601000000000 ] - [ 0.0018112200000000, 0.0000000000000000, 0.0021173800000000 ] - [ 0.0019651000000000, 0.0003236800000000, 0.0002538800000000 ] - [ 0.0019651000000000, -0.0003236800000000, 0.0002538800000000 ] - [ -0.0143348200000000, 0.0000000000000000, 0.0119267300000000 ] - [ -0.0007074200000000, 0.0004079700000000, -0.0037992000000000 ] - [ -0.0007074200000000, -0.0004079700000000, -0.0037992000000000 ] - [ 0.0024682300000000, 0.0000000000000000, 0.0019865800000000 ] - [ 0.0018647600000000, 0.0006718200000000, 0.0002781300000000 ] - [ 0.0018647600000000, -0.0006718200000000, 0.0002781300000000 ] - [ 0.0128558200000000, 0.0000000000000000, 0.0110766900000000 ] - [ 0.0003730200000000, 0.0004317000000000, -0.0031131200000000 ] - [ 0.0003730200000000, -0.0004317000000000, -0.0031131200000000 ] - [ 0.0023707800000000, 0.0000000000000000, 0.0006844100000000 ] - [ 0.0022975800000000, 0.0000719800000000, 0.0003747600000000 ] - [ 0.0022975800000000, -0.0000719800000000, 0.0003747600000000 ] - [ 0.0002591300000000, 0.0000000000000000, 0.0016662400000000 ] - [ 0.0003582600000000, 0.0002416700000000, -0.0002368100000000 ] - [ 0.0003582600000000, -0.0002416700000000, -0.0002368100000000 ] - [ -0.0005613800000000, 0.0000000000000000, 0.0008698800000000 ] - [ -0.0005443100000000, -0.0002651000000000, -0.0010036600000000 ] - [ -0.0005443100000000, 0.0002651000000000, -0.0010036600000000 ] - [ 0.0025122000000000, 0.0000000000000000, 0.0013521000000000 ] - [ 0.0024935400000000, -0.0000974900000000, 0.0010068200000000 ] - [ 0.0024935400000000, 0.0000974900000000, 0.0010068200000000 ] - [ -0.0004544300000000, 0.0000000000000000, 0.0009210700000000 ] - [ -0.0004661100000000, -0.0000026900000000, 0.0002359200000000 ] - [ -0.0004661100000000, 0.0000026900000000, 0.0002359200000000 ] - [ 0.0026476000000000, 0.0000000000000000, 0.0011956800000000 ] - [ 0.0026263700000000, 0.0000768400000000, 0.0009131300000000 ] - [ 0.0026263700000000, -0.0000768400000000, 0.0009131300000000 ] - [ 0.0001499800000000, 0.0000000000000000, 0.0006395500000000 ] - [ 0.0001431500000000, 0.0000002100000000, -0.0001067900000000 ] - [ 0.0001431500000000, -0.0000002100000000, -0.0001067900000000 ] - [ 0.0031820000000000, 0.0000000000000000, 0.0018227500000000 ] - [ 0.0029465400000000, -0.0003644400000000, -0.0003403300000000 ] - [ 0.0029465400000000, 0.0003644400000000, -0.0003403300000000 ] - [ -0.0002945300000000, 0.0000000000000000, 0.0017089600000000 ] - [ -0.0002703000000000, -0.0002677000000000, -0.0005366200000000 ] - [ -0.0002703000000000, 0.0002677000000000, -0.0005366200000000 ] - [ -0.0002695300000000, 0.0000000000000000, 0.0023059400000000 ] - [ 0.0012027300000000, 0.0000117900000000, -0.0006369800000000 ] - [ 0.0012027300000000, -0.0000117900000000, -0.0006369800000000 ] - [ 0.0103985500000000, 0.0000000000000000, 0.0033275700000000 ] - [ 0.0004542300000000, -0.0002277600000000, -0.0023033800000000 ] - [ 0.0004542300000000, 0.0002277600000000, -0.0023033800000000 ] - [ 0.0027460400000000, 0.0000000000000000, 0.0025326600000000 ] - [ 0.0024147400000000, -0.0005179100000000, -0.0000581200000000 ] - [ 0.0024147400000000, 0.0005179100000000, -0.0000581200000000 ] - [ -0.0127308700000000, 0.0000000000000000, 0.0011464000000000 ] - [ -0.0002156000000000, -0.0002794600000000, -0.0038512000000000 ] - [ -0.0002156000000000, 0.0002794600000000, -0.0038512000000000 ] - [ 0.0024584000000000, 0.0000000000000000, 0.0010191900000000 ] - [ 0.0024709400000000, -0.0000783500000000, 0.0006454200000000 ] - [ 0.0024709400000000, 0.0000783500000000, 0.0006454200000000 ] - [ 0.0127804000000000, 0.0000000000000000, -0.0494285400000000 ] - [ 0.0025831400000000, -0.0001049400000000, -0.0007239800000000 ] - [ 0.0025831400000000, 0.0001049400000000, -0.0007239800000000 ] - [ 0.0055339100000000, -0.0003008500000000, -0.0028430200000000 ] - [ 0.0055339100000000, 0.0003008500000000, -0.0028430200000000 ] - [ 0.0055272900000000, 0.0000000000000000, -0.0029959800000000 ] - [ 0.0046417200000000, 0.0002586300000000, -0.0027728900000000 ] - [ 0.0046417200000000, -0.0002586300000000, -0.0027728900000000 ] - [ 0.0046520600000000, 0.0000000000000000, -0.0029444500000000 ] - [ 0.0048292600000000, -0.0020015500000000, -0.0018849300000000 ] - [ 0.0048292600000000, 0.0020015500000000, -0.0018849300000000 ] - [ 0.0049086200000000, 0.0000000000000000, -0.0026239700000000 ] - [ 0.0067054800000000, 0.0018924100000000, -0.0000298800000000 ] - [ 0.0067054800000000, -0.0018924100000000, -0.0000298800000000 ] - [ 0.0069045400000000, 0.0000000000000000, -0.0007042000000000 ] - [ 0.0047193300000000, -0.0002737700000000, -0.0037178400000000 ] - [ 0.0047193300000000, 0.0002737700000000, -0.0037178400000000 ] - [ 0.0047092800000000, 0.0000000000000000, -0.0038606300000000 ] - [ 0.0052055400000000, 0.0002756700000000, -0.0033762100000000 ] - [ 0.0052055400000000, -0.0002756700000000, -0.0033762100000000 ] - [ 0.0052117800000000, 0.0000000000000000, -0.0035541000000000 ] - [ 0.0070378600000000, 0.0021104900000000, 0.0049631800000000 ] - [ 0.0070378600000000, -0.0021104900000000, 0.0049631800000000 ] - [ 0.0069547800000000, 0.0000000000000000, 0.0043588000000000 ] - [ 0.0000423500000000, 0.0061676200000000, -0.0018884600000000 ] - [ 0.0000423500000000, -0.0061676200000000, -0.0018884600000000 ] - [ 0.0004359300000000, 0.0000000000000000, 0.0008023600000000 ] - [ -0.0003071200000000, 0.0005226800000000, -0.0007403400000000 ] - [ -0.0003071200000000, -0.0005226800000000, -0.0007403400000000 ] - [ -0.0002896900000000, 0.0000000000000000, -0.0002842300000000 ] - [ -0.0003945400000000, 0.0000014400000000, -0.0009495100000000 ] - [ -0.0003945400000000, -0.0000014400000000, -0.0009495100000000 ] - [ -0.0003903600000000, 0.0000000000000000, -0.0007929100000000 ] - [ -0.0000503900000000, 0.0005436000000000, -0.0008950500000000 ] - [ -0.0000503900000000, -0.0005436000000000, -0.0008950500000000 ] - [ -0.0000595600000000, 0.0000000000000000, -0.0003982400000000 ] - [ -0.0005885600000000, -0.0000073200000000, -0.0007583300000000 ] - [ -0.0005885600000000, 0.0000073200000000, -0.0007583300000000 ] - [ -0.0005913500000000, 0.0000000000000000, -0.0005986600000000 ] - [ 0.0000698600000000, -0.0005699400000000, -0.0009150500000000 ] - [ 0.0000698600000000, 0.0005699400000000, -0.0009150500000000 ] - [ 0.0000987100000000, 0.0000000000000000, -0.0004151800000000 ] - [ -0.0005725100000000, -0.0006152200000000, -0.0011438100000000 ] - [ -0.0005725100000000, 0.0006152200000000, -0.0011438100000000 ] - [ -0.0006118600000000, 0.0000000000000000, -0.0005972700000000 ] - [ -0.0099389800000000, 0.0000000000000000, -0.0113812400000000 ] - [ -0.0097746400000000, 0.0019442600000000, -0.0029407900000000 ] - [ -0.0097746400000000, -0.0019442600000000, -0.0029407900000000 ] - [ 0.0001211000000000, 0.0000000000000000, 0.0286708700000000 ] - [ -0.0111683100000000, 0.0004795400000000, 0.0083406500000000 ] - [ -0.0111683100000000, -0.0004795400000000, 0.0083406500000000 ] - [ -0.0202388400000000, 0.0000000000000000, 0.0342247700000000 ] - [ -0.0032796100000000, -0.0000621000000000, 0.0116909300000000 ] - [ -0.0032796100000000, 0.0000621000000000, 0.0116909300000000 ] - [ -0.0063546500000000, 0.0000000000000000, -0.0019320300000000 ] - [ -0.0060813700000000, -0.0015100400000000, 0.0052230500000000 ] - [ -0.0060813700000000, 0.0015100400000000, 0.0052230500000000 ] - [ -0.0065019900000000, 0.0000000000000000, 0.0029008500000000 ] - [ -0.0064255600000000, -0.0002242400000000, 0.0041546900000000 ] - [ -0.0064255600000000, 0.0002242400000000, 0.0041546900000000 ] - [ -0.0076037900000000, 0.0000000000000000, 0.0017773600000000 ] - [ -0.0075643900000000, -0.0002379300000000, 0.0031807400000000 ] - [ -0.0075643900000000, 0.0002379300000000, 0.0031807400000000 ] - [ -0.0067359100000000, 0.0000000000000000, -0.0045396700000000 ] - [ -0.0065399700000000, -0.0015545400000000, 0.0039510200000000 ] - [ -0.0065399700000000, 0.0015545400000000, 0.0039510200000000 ] - [ -0.0069524100000000, 0.0000000000000000, 0.0015532600000000 ] - [ -0.0069650700000000, 0.0002262000000000, 0.0028542900000000 ] - [ -0.0069650700000000, -0.0002262000000000, 0.0028542900000000 ] - [ -0.0082056600000000, 0.0000000000000000, -0.0041296400000000 ] - [ -0.0085498800000000, 0.0016398200000000, 0.0027626100000000 ] - [ -0.0085498800000000, -0.0016398200000000, 0.0027626100000000 ] - [ -0.0071379300000000, 0.0000000000000000, 0.0021945400000000 ] - [ -0.0070626200000000, 0.0002363500000000, 0.0035739000000000 ] - [ -0.0070626200000000, -0.0002363500000000, 0.0035739000000000 ]- atom: 76 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0006231300000000, -0.0008913000000000, -0.0006490200000000 ] - [ -0.0006231300000000, 0.0008913000000000, -0.0006490200000000 ] - [ -0.0005357000000000, 0.0000000000000000, -0.0003815500000000 ] - [ -0.0001298600000000, 0.0010369600000000, -0.0004538700000000 ] - [ -0.0001298600000000, -0.0010369600000000, -0.0004538700000000 ] - [ -0.0001276300000000, 0.0000000000000000, -0.0002228900000000 ] - [ -0.0007375500000000, 0.0035615100000000, 0.0011649100000000 ] - [ -0.0007375500000000, -0.0035615100000000, 0.0011649100000000 ] - [ -0.0001629200000000, 0.0000000000000000, -0.0000377900000000 ] - [ 0.0043087400000000, 0.0019336000000000, -0.0043553200000000 ] - [ 0.0043087400000000, -0.0019336000000000, -0.0043553200000000 ] - [ 0.0045210200000000, 0.0000000000000000, -0.0036806800000000 ] - [ 0.0089460400000000, 0.0004864500000000, 0.0013984300000000 ] - [ 0.0089460400000000, -0.0004864500000000, 0.0013984300000000 ] - [ 0.0095923500000000, 0.0000000000000000, -0.0027420700000000 ] - [ 0.0024136500000000, 0.0014124900000000, -0.0023066300000000 ] - [ 0.0024136500000000, -0.0014124900000000, -0.0023066300000000 ] - [ 0.0014639000000000, 0.0000000000000000, -0.0065479100000000 ] - [ -0.0007053500000000, 0.0000000000000000, -0.0045337200000000 ] - [ -0.0006891100000000, -0.0002417300000000, -0.0022466600000000 ] - [ -0.0006891100000000, 0.0002417300000000, -0.0022466600000000 ] - [ 0.0021356500000000, 0.0000000000000000, -0.0015937500000000 ] - [ 0.0019750500000000, -0.0003217100000000, 0.0002548000000000 ] - [ 0.0019750500000000, 0.0003217100000000, 0.0002548000000000 ] - [ 0.0134247500000000, 0.0000000000000000, -0.0157099500000000 ] - [ 0.0000653500000000, -0.0004076600000000, -0.0001824700000000 ] - [ 0.0000653500000000, 0.0004076600000000, -0.0001824700000000 ] - [ 0.0014299400000000, 0.0000000000000000, -0.0018743200000000 ] - [ 0.0020285300000000, -0.0006643900000000, -0.0001686000000000 ] - [ 0.0020285300000000, 0.0006643900000000, -0.0001686000000000 ] - [ -0.0126823200000000, 0.0000000000000000, -0.0135386300000000 ] - [ -0.0004690900000000, -0.0004295100000000, 0.0004355800000000 ] - [ -0.0004690900000000, 0.0004295100000000, 0.0004355800000000 ] - [ 0.0021885300000000, 0.0000000000000000, -0.0008677300000000 ] - [ 0.0022611100000000, -0.0000711500000000, -0.0005596400000000 ] - [ 0.0022611100000000, 0.0000711500000000, -0.0005596400000000 ] - [ 0.0004262800000000, 0.0000000000000000, -0.0041240700000000 ] - [ 0.0003289700000000, -0.0002401300000000, -0.0022347700000000 ] - [ 0.0003289700000000, 0.0002401300000000, -0.0022347700000000 ] - [ -0.0004448100000000, 0.0000000000000000, -0.0047734400000000 ] - [ -0.0004656500000000, 0.0002671000000000, -0.0028829200000000 ] - [ -0.0004656500000000, -0.0002671000000000, -0.0028829200000000 ] - [ 0.0024521100000000, 0.0000000000000000, -0.0002760400000000 ] - [ 0.0024712100000000, 0.0000985300000000, 0.0000723800000000 ] - [ 0.0024712100000000, -0.0000985300000000, 0.0000723800000000 ] - [ -0.0005009600000000, 0.0000000000000000, -0.0032347300000000 ] - [ -0.0004892600000000, 0.0000031300000000, -0.0025496000000000 ] - [ -0.0004892600000000, -0.0000031300000000, -0.0025496000000000 ] - [ 0.0025655400000000, 0.0000000000000000, -0.0003116200000000 ] - [ 0.0025845200000000, -0.0000760000000000, -0.0000299400000000 ] - [ 0.0025845200000000, 0.0000760000000000, -0.0000299400000000 ] - [ 0.0001146200000000, 0.0000000000000000, -0.0036594300000000 ] - [ 0.0001208900000000, 0.0000008200000000, -0.0029138300000000 ] - [ 0.0001208900000000, -0.0000008200000000, -0.0029138300000000 ] - [ 0.0026935500000000, 0.0000000000000000, -0.0025352900000000 ] - [ 0.0029247600000000, 0.0003668300000000, -0.0003558900000000 ] - [ 0.0029247600000000, -0.0003668300000000, -0.0003558900000000 ] - [ -0.0002687100000000, 0.0000000000000000, -0.0045498100000000 ] - [ -0.0002930900000000, 0.0002695800000000, -0.0022879200000000 ] - [ -0.0002930900000000, -0.0002695800000000, -0.0022879200000000 ] - [ 0.0031263200000000, 0.0000000000000000, -0.0027119200000000 ] - [ 0.0016337700000000, -0.0000276700000000, 0.0002710900000000 ] - [ 0.0016337700000000, 0.0000276700000000, 0.0002710900000000 ] - [ -0.0096729800000000, 0.0000000000000000, -0.0042108400000000 ] - [ 0.0003818500000000, 0.0002267000000000, 0.0014197500000000 ] - [ 0.0003818500000000, -0.0002267000000000, 0.0014197500000000 ] - [ 0.0019465900000000, 0.0000000000000000, -0.0028990000000000 ] - [ 0.0022819400000000, 0.0005222000000000, -0.0002707800000000 ] - [ 0.0022819400000000, -0.0005222000000000, -0.0002707800000000 ] - [ 0.0126506600000000, 0.0000000000000000, -0.0052809700000000 ] - [ -0.0000338800000000, 0.0002796700000000, -0.0002499200000000 ] - [ -0.0000338800000000, -0.0002796700000000, -0.0002499200000000 ] - [ 0.0024046300000000, 0.0000000000000000, -0.0006500100000000 ] - [ 0.0023899800000000, 0.0000794700000000, -0.0002731000000000 ] - [ 0.0023899800000000, -0.0000794700000000, -0.0002731000000000 ] - [ -0.0082209900000000, 0.0000000000000000, 0.0501262600000000 ] - [ 0.0022384500000000, 0.0000961400000000, 0.0012477400000000 ] - [ 0.0022384500000000, -0.0000961400000000, 0.0012477400000000 ] - [ 0.0055204500000000, 0.0002966000000000, -0.0040922200000000 ] - [ 0.0055204500000000, -0.0002966000000000, -0.0040922200000000 ] - [ 0.0055270000000000, 0.0000000000000000, -0.0039399800000000 ] - [ 0.0046584200000000, -0.0002618200000000, -0.0040410400000000 ] - [ 0.0046584200000000, 0.0002618200000000, -0.0040410400000000 ] - [ 0.0046480000000000, 0.0000000000000000, -0.0038685300000000 ] - [ 0.0050643400000000, 0.0019895300000000, -0.0032765900000000 ] - [ 0.0050643400000000, -0.0019895300000000, -0.0032765900000000 ] - [ 0.0049852800000000, 0.0000000000000000, -0.0025410200000000 ] - [ 0.0071435600000000, -0.0019058600000000, -0.0013131700000000 ] - [ 0.0071435600000000, 0.0019058600000000, -0.0013131700000000 ] - [ 0.0069415600000000, 0.0000000000000000, -0.0006356900000000 ] - [ 0.0047200600000000, 0.0002705700000000, -0.0049504300000000 ] - [ 0.0047200600000000, -0.0002705700000000, -0.0049504300000000 ] - [ 0.0047302400000000, 0.0000000000000000, -0.0048085200000000 ] - [ 0.0051990000000000, -0.0002792000000000, -0.0046229900000000 ] - [ 0.0051990000000000, 0.0002792000000000, -0.0046229900000000 ] - [ 0.0051927200000000, 0.0000000000000000, -0.0044440700000000 ] - [ 0.0067139700000000, -0.0021225600000000, 0.0037734000000000 ] - [ 0.0067139700000000, 0.0021225600000000, 0.0037734000000000 ] - [ 0.0067989500000000, 0.0000000000000000, 0.0043791100000000 ] - [ 0.0008241700000000, -0.0061709700000000, 0.0021564800000000 ] - [ 0.0008241700000000, 0.0061709700000000, 0.0021564800000000 ] - [ 0.0004279600000000, 0.0000000000000000, -0.0005747600000000 ] - [ -0.0002988900000000, -0.0005193400000000, 0.0009180000000000 ] - [ -0.0002988900000000, 0.0005193400000000, 0.0009180000000000 ] - [ -0.0003155900000000, 0.0000000000000000, 0.0004652200000000 ] - [ -0.0003969500000000, -0.0000000800000000, 0.0006114300000000 ] - [ -0.0003969500000000, 0.0000000800000000, 0.0006114300000000 ] - [ -0.0004015900000000, 0.0000000000000000, 0.0004546200000000 ] - [ -0.0000205800000000, -0.0005398100000000, 0.0009914800000000 ] - [ -0.0000205800000000, 0.0005398100000000, 0.0009914800000000 ] - [ -0.0000116700000000, 0.0000000000000000, 0.0004972800000000 ] - [ -0.0005737200000000, 0.0000092400000000, 0.0008379900000000 ] - [ -0.0005737200000000, -0.0000092400000000, 0.0008379900000000 ] - [ -0.0005711000000000, 0.0000000000000000, 0.0006766300000000 ] - [ 0.0001105300000000, 0.0005748300000000, 0.0009732000000000 ] - [ 0.0001105300000000, -0.0005748300000000, 0.0009732000000000 ] - [ 0.0000819200000000, 0.0000000000000000, 0.0004708300000000 ] - [ -0.0006419700000000, 0.0006210600000000, 0.0008205600000000 ] - [ -0.0006419700000000, -0.0006210600000000, 0.0008205600000000 ] - [ -0.0006019900000000, 0.0000000000000000, 0.0002714600000000 ] - [ -0.0089136900000000, 0.0000000000000000, 0.0047736700000000 ] - [ -0.0090938000000000, -0.0019563100000000, -0.0036983300000000 ] - [ -0.0090938000000000, 0.0019563100000000, -0.0036983300000000 ] - [ -0.0229689300000000, 0.0000000000000000, -0.0184206900000000 ] - [ -0.0112038900000000, -0.0004322500000000, 0.0020289700000000 ] - [ -0.0112038900000000, 0.0004322500000000, 0.0020289700000000 ] - [ 0.0139237500000000, 0.0000000000000000, -0.0174754500000000 ] - [ -0.0036339700000000, 0.0001299300000000, 0.0052942200000000 ] - [ -0.0036339700000000, -0.0001299300000000, 0.0052942200000000 ] - [ -0.0055941800000000, 0.0000000000000000, 0.0117168300000000 ] - [ -0.0058554300000000, 0.0014964600000000, 0.0046258200000000 ] - [ -0.0058554300000000, -0.0014964600000000, 0.0046258200000000 ] - [ -0.0062898500000000, 0.0000000000000000, 0.0086270900000000 ] - [ -0.0063636300000000, 0.0002205900000000, 0.0073753800000000 ] - [ -0.0063636300000000, -0.0002205900000000, 0.0073753800000000 ] - [ -0.0074393600000000, 0.0000000000000000, 0.0077608700000000 ] - [ -0.0074801300000000, 0.0002368200000000, 0.0063708300000000 ] - [ -0.0074801300000000, -0.0002368200000000, 0.0063708300000000 ] - [ -0.0067767500000000, 0.0000000000000000, 0.0117772800000000 ] - [ -0.0069696000000000, 0.0015466700000000, 0.0033441600000000 ] - [ -0.0069696000000000, -0.0015466700000000, 0.0033441600000000 ] - [ -0.0069606200000000, 0.0000000000000000, 0.0074174200000000 ] - [ -0.0069455300000000, -0.0002296100000000, 0.0061042100000000 ] - [ -0.0069455300000000, 0.0002296100000000, 0.0061042100000000 ] - [ -0.0093417500000000, 0.0000000000000000, 0.0091650500000000 ] - [ -0.0089761200000000, -0.0016515800000000, 0.0022262200000000 ] - [ -0.0089761200000000, 0.0016515800000000, 0.0022262200000000 ] - [ -0.0068609000000000, 0.0000000000000000, 0.0081167200000000 ] - [ -0.0069362700000000, -0.0002387300000000, 0.0067288500000000 ] - [ -0.0069362700000000, 0.0002387300000000, 0.0067288500000000 ]- atom: 79 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005626900000000, 0.0000000000000000, -0.0000259100000000 ] - [ -0.0005588900000000, -0.0000037600000000, -0.0000403700000000 ] - [ -0.0005588900000000, 0.0000037600000000, -0.0000403700000000 ] - [ -0.0001364200000000, 0.0000000000000000, 0.0000563800000000 ] - [ -0.0001362200000000, 0.0000037900000000, 0.0000561800000000 ] - [ -0.0001362200000000, -0.0000037900000000, 0.0000561800000000 ] - [ -0.0001519200000000, 0.0000000000000000, 0.0003100600000000 ] - [ -0.0001516700000000, 0.0000034300000000, 0.0003098900000000 ] - [ -0.0001516700000000, -0.0000034300000000, 0.0003098900000000 ] - [ 0.0034450600000000, 0.0000000000000000, -0.0035947100000000 ] - [ 0.0043846200000000, 0.0000415700000000, -0.0038352300000000 ] - [ 0.0043846200000000, -0.0000415700000000, -0.0038352300000000 ] - [ 0.0096342300000000, 0.0000000000000000, -0.0034533400000000 ] - [ 0.0096309400000000, -0.0000166300000000, -0.0034537200000000 ] - [ 0.0096309400000000, 0.0000166300000000, -0.0034537200000000 ] - [ 0.0013791400000000, 0.0000000000000000, -0.0071994600000000 ] - [ 0.0013840200000000, -0.0000208000000000, -0.0072036900000000 ] - [ 0.0013840200000000, 0.0000208000000000, -0.0072036900000000 ] - [ -0.0044688700000000, 0.0003323600000000, -0.0025868500000000 ] - [ -0.0007649300000000, 0.0000000000000000, -0.0016821000000000 ] - [ -0.0044688700000000, -0.0003323600000000, -0.0025868500000000 ] - [ 0.0020711900000000, 0.0002569600000000, -0.0000379200000000 ] - [ 0.0020558800000000, 0.0000000000000000, 0.0001495900000000 ] - [ 0.0020711900000000, -0.0002569600000000, -0.0000379200000000 ] - [ -0.0002754000000000, -0.0000152400000000, -0.0018335200000000 ] - [ -0.0003035900000000, 0.0000000000000000, -0.0019552200000000 ] - [ -0.0002754000000000, 0.0000152400000000, -0.0018335200000000 ] - [ 0.0019792200000000, -0.0006279900000000, 0.0005877600000000 ] - [ 0.0018899500000000, 0.0000000000000000, 0.0001251100000000 ] - [ 0.0019792200000000, 0.0006279900000000, 0.0005877600000000 ] - [ -0.0001421600000000, -0.0000246400000000, -0.0013939100000000 ] - [ -0.0000973300000000, 0.0000000000000000, -0.0014441500000000 ] - [ -0.0001421600000000, 0.0000246400000000, -0.0013939100000000 ] - [ 0.0136662900000000, 0.0141153900000000, 0.0000428700000000 ] - [ 0.0029897500000000, 0.0000000000000000, -0.0001384100000000 ] - [ 0.0136662900000000, -0.0141153900000000, 0.0000428700000000 ] - [ 0.0020142600000000, 0.0000347200000000, -0.0008113000000000 ] - [ 0.0004519400000000, 0.0000000000000000, -0.0011760000000000 ] - [ 0.0020142600000000, -0.0000347200000000, -0.0008113000000000 ] - [ -0.0006007800000000, -0.0000292700000000, -0.0019286900000000 ] - [ -0.0005428200000000, 0.0000000000000000, -0.0018395000000000 ] - [ -0.0006007800000000, 0.0000292700000000, -0.0019286900000000 ] - [ 0.0025243600000000, 0.0002668900000000, 0.0008337900000000 ] - [ 0.0025421300000000, 0.0000000000000000, 0.0006624200000000 ] - [ 0.0025243600000000, -0.0002668900000000, 0.0008337900000000 ] - [ 0.0012500400000000, -0.0000091500000000, -0.0014444700000000 ] - [ -0.0003466600000000, 0.0000000000000000, -0.0012171100000000 ] - [ 0.0012500400000000, 0.0000091500000000, -0.0014444700000000 ] - [ 0.0158412900000000, -0.0137353100000000, 0.0006317500000000 ] - [ 0.0024364500000000, 0.0000000000000000, 0.0004516300000000 ] - [ 0.0158412900000000, 0.0137353100000000, 0.0006317500000000 ] - [ -0.0037041900000000, -0.0000150200000000, -0.0007026200000000 ] - [ -0.0000450900000000, 0.0000000000000000, -0.0010865700000000 ] - [ -0.0037041900000000, 0.0000150200000000, -0.0007026200000000 ] - [ 0.0029554600000000, -0.0000082200000000, -0.0003497200000000 ] - [ 0.0029526100000000, 0.0000000000000000, -0.0003313900000000 ] - [ 0.0029554600000000, 0.0000082200000000, -0.0003497200000000 ] - [ -0.0002263600000000, -0.0000061000000000, -0.0014896700000000 ] - [ -0.0002592700000000, 0.0000000000000000, -0.0014146900000000 ] - [ -0.0002263600000000, 0.0000061000000000, -0.0014896700000000 ] - [ 0.0014492400000000, -0.0000041100000000, -0.0001805000000000 ] - [ 0.0014385900000000, 0.0000000000000000, -0.0001890700000000 ] - [ 0.0014492400000000, 0.0000041100000000, -0.0001805000000000 ] - [ 0.0004269200000000, -0.0000035200000000, -0.0004388900000000 ] - [ 0.0004233300000000, 0.0000000000000000, -0.0004408000000000 ] - [ 0.0004269200000000, 0.0000035200000000, -0.0004388900000000 ] - [ 0.0023328300000000, -0.0000020200000000, -0.0001682300000000 ] - [ 0.0023376000000000, 0.0000000000000000, -0.0001648200000000 ] - [ 0.0023328300000000, 0.0000020200000000, -0.0001682300000000 ] - [ -0.0001288800000000, -0.0000030600000000, -0.0020627400000000 ] - [ -0.0001272200000000, 0.0000000000000000, -0.0020595200000000 ] - [ -0.0001288800000000, 0.0000030600000000, -0.0020627400000000 ] - [ 0.0024204800000000, -0.0005859200000000, -0.0002901100000000 ] - [ 0.0023720300000000, 0.0000000000000000, 0.0001239500000000 ] - [ 0.0024204800000000, 0.0005859200000000, -0.0002901100000000 ] - [ 0.0023823800000000, -0.0000013100000000, 0.0002684200000000 ] - [ 0.0023923500000000, 0.0000000000000000, 0.0002620400000000 ] - [ 0.0023823800000000, 0.0000013100000000, 0.0002684200000000 ] - [ -0.0504346600000000, 0.0000000000000000, -0.0030054700000000 ] - [ 0.0061743200000000, 0.0021409300000000, -0.0032807800000000 ] - [ 0.0061743200000000, -0.0021409300000000, -0.0032807800000000 ] - [ 0.0036665700000000, 0.0000000000000000, -0.0034790800000000 ] - [ 0.0045681500000000, -0.0000394500000000, -0.0033115900000000 ] - [ 0.0045681500000000, 0.0000394500000000, -0.0033115900000000 ] - [ 0.0067137600000000, 0.0000000000000000, -0.0025092000000000 ] - [ 0.0050964700000000, -0.0001468300000000, -0.0025783200000000 ] - [ 0.0050964700000000, 0.0001468300000000, -0.0025783200000000 ] - [ 0.0069265100000000, 0.0000000000000000, -0.0006691800000000 ] - [ 0.0069159700000000, -0.0000212400000000, -0.0006633900000000 ] - [ 0.0069159700000000, 0.0000212400000000, -0.0006633900000000 ] - [ 0.0088306700000000, 0.0000000000000000, -0.0043791800000000 ] - [ 0.0072888800000000, -0.0007380500000000, -0.0043786900000000 ] - [ 0.0072888800000000, 0.0007380500000000, -0.0043786900000000 ] - [ 0.0069143900000000, 0.0000000000000000, -0.0039781100000000 ] - [ 0.0053450400000000, -0.0001167000000000, -0.0039904300000000 ] - [ 0.0053450400000000, 0.0001167000000000, -0.0039904300000000 ] - [ 0.0068751200000000, 0.0000000000000000, 0.0043590500000000 ] - [ 0.0068849900000000, -0.0000172700000000, 0.0043670500000000 ] - [ 0.0068849900000000, 0.0000172700000000, 0.0043670500000000 ] - [ 0.0004789400000000, 0.0000000000000000, -0.0000905700000000 ] - [ 0.0004904700000000, 0.0000668500000000, 0.0000558800000000 ] - [ 0.0004904700000000, -0.0000668500000000, 0.0000558800000000 ] - [ -0.0031629100000000, 0.0000000000000000, 0.0054214600000000 ] - [ -0.0005593500000000, -0.0006016700000000, 0.0008726400000000 ] - [ -0.0005593500000000, 0.0006016700000000, 0.0008726400000000 ] - [ -0.0019294700000000, 0.0000000000000000, -0.0047728000000000 ] - [ -0.0005962400000000, -0.0007363500000000, -0.0010345600000000 ] - [ -0.0005962400000000, 0.0007363500000000, -0.0010345600000000 ] - [ 0.0003451000000000, 0.0000000000000000, -0.0038945500000000 ] - [ 0.0004085800000000, 0.0006792300000000, -0.0005340400000000 ] - [ 0.0004085800000000, -0.0006792300000000, -0.0005340400000000 ] - [ 0.0010022200000000, 0.0000000000000000, 0.0026020200000000 ] - [ -0.0001934400000000, 0.0007725100000000, 0.0006650000000000 ] - [ -0.0001934400000000, -0.0007725100000000, 0.0006650000000000 ] - [ 0.0000612700000000, 0.0000000000000000, -0.0000737400000000 ] - [ 0.0000604600000000, -0.0000047000000000, -0.0000305300000000 ] - [ 0.0000604600000000, 0.0000047000000000, -0.0000305300000000 ] - [ -0.0005820500000000, 0.0000000000000000, 0.0000226500000000 ] - [ -0.0005686800000000, 0.0000628400000000, -0.0001128000000000 ] - [ -0.0005686800000000, -0.0000628400000000, -0.0001128000000000 ] - [ -0.0094475500000000, 0.0000176400000000, -0.0032770100000000 ] - [ -0.0094563100000000, 0.0000000000000000, -0.0033207300000000 ] - [ -0.0094475500000000, -0.0000176400000000, -0.0032770100000000 ] - [ -0.0111806600000000, 0.0000103500000000, 0.0052251900000000 ] - [ -0.0111792200000000, 0.0000000000000000, 0.0052470600000000 ] - [ -0.0111806600000000, -0.0000103500000000, 0.0052251900000000 ] - [ -0.0034828200000000, 0.0000164000000000, 0.0084038400000000 ] - [ -0.0034788900000000, 0.0000000000000000, 0.0084698700000000 ] - [ -0.0034828200000000, -0.0000164000000000, 0.0084038400000000 ] - [ -0.0053172100000000, 0.0001629700000000, 0.0054927600000000 ] - [ -0.0058323500000000, 0.0000000000000000, 0.0051992700000000 ] - [ -0.0053172100000000, -0.0001629700000000, 0.0054927600000000 ] - [ -0.0216478300000000, 0.0007141200000000, 0.0057458500000000 ] - [ -0.0067600000000000, 0.0000000000000000, 0.0057636200000000 ] - [ -0.0216478300000000, -0.0007141200000000, 0.0057458500000000 ] - [ 0.0098984000000000, 0.0015261700000000, 0.0047181300000000 ] - [ -0.0071298300000000, 0.0000000000000000, 0.0047434600000000 ] - [ 0.0098984000000000, -0.0015261700000000, 0.0047181300000000 ] - [ -0.0075523000000000, 0.0001650200000000, 0.0033316900000000 ] - [ -0.0069004000000000, 0.0000000000000000, 0.0036207700000000 ] - [ -0.0075523000000000, -0.0001650200000000, 0.0033316900000000 ] - [ -0.0061726200000000, 0.0001816400000000, 0.0041037300000000 ] - [ -0.0068014400000000, 0.0000000000000000, 0.0041505600000000 ] - [ -0.0061726200000000, -0.0001816400000000, 0.0041037300000000 ] - [ -0.0087621100000000, 0.0000161000000000, 0.0024854600000000 ] - [ -0.0087539800000000, 0.0000000000000000, 0.0024461900000000 ] - [ -0.0087621100000000, -0.0000161000000000, 0.0024854600000000 ] - [ -0.0078051000000000, 0.0001294700000000, 0.0053694700000000 ] - [ -0.0071480300000000, 0.0000000000000000, 0.0051520400000000 ] - [ -0.0078051000000000, -0.0001294700000000, 0.0053694700000000 ]- atom: 79 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005059400000000, 0.0000000000000000, -0.0001020100000000 ] - [ -0.0005101500000000, 0.0000030700000000, -0.0000913900000000 ] - [ -0.0005101500000000, -0.0000030700000000, -0.0000913900000000 ] - [ -0.0001272900000000, 0.0000000000000000, 0.0000598400000000 ] - [ -0.0001281400000000, -0.0000040500000000, 0.0000607800000000 ] - [ -0.0001281400000000, 0.0000040500000000, 0.0000607800000000 ] - [ -0.0001604300000000, 0.0000000000000000, 0.0003120400000000 ] - [ -0.0001606900000000, -0.0000036300000000, 0.0003123600000000 ] - [ -0.0001606900000000, 0.0000036300000000, 0.0003123600000000 ] - [ 0.0055339300000000, 0.0000000000000000, -0.0038033100000000 ] - [ 0.0045922100000000, -0.0000462100000000, -0.0035525200000000 ] - [ 0.0045922100000000, 0.0000462100000000, -0.0035525200000000 ] - [ 0.0096384300000000, 0.0000000000000000, -0.0034344000000000 ] - [ 0.0096417900000000, 0.0000179000000000, -0.0034340200000000 ] - [ 0.0096417900000000, -0.0000179000000000, -0.0034340200000000 ] - [ 0.0013792800000000, 0.0000000000000000, -0.0072308600000000 ] - [ 0.0013743300000000, 0.0000225100000000, -0.0072263000000000 ] - [ 0.0013743300000000, -0.0000225100000000, -0.0072263000000000 ] - [ 0.0031692700000000, -0.0003969700000000, 0.0000920900000000 ] - [ -0.0005290600000000, 0.0000000000000000, -0.0009045900000000 ] - [ 0.0031692700000000, 0.0003969700000000, 0.0000920900000000 ] - [ 0.0018552400000000, -0.0002508800000000, 0.0005492300000000 ] - [ 0.0018738100000000, 0.0000000000000000, 0.0003643300000000 ] - [ 0.0018552400000000, 0.0002508800000000, 0.0005492300000000 ] - [ -0.0003622400000000, 0.0000171100000000, -0.0021289500000000 ] - [ -0.0003338700000000, 0.0000000000000000, -0.0020014000000000 ] - [ -0.0003622400000000, -0.0000171100000000, -0.0021289500000000 ] - [ 0.0019247900000000, 0.0006382900000000, -0.0004823900000000 ] - [ 0.0020114900000000, 0.0000000000000000, -0.0000135800000000 ] - [ 0.0019247900000000, -0.0006382900000000, -0.0004823900000000 ] - [ 0.0000450900000000, 0.0000249700000000, -0.0012548000000000 ] - [ -0.0000004000000000, 0.0000000000000000, -0.0012013800000000 ] - [ 0.0000450900000000, -0.0000249700000000, -0.0012548000000000 ] - [ -0.0090461600000000, -0.0139024700000000, -0.0002274000000000 ] - [ 0.0015391900000000, 0.0000000000000000, -0.0000468000000000 ] - [ -0.0090461600000000, 0.0139024700000000, -0.0002274000000000 ] - [ -0.0013280300000000, -0.0000242600000000, -0.0016717300000000 ] - [ 0.0002337100000000, 0.0000000000000000, -0.0012967700000000 ] - [ -0.0013280300000000, 0.0000242600000000, -0.0016717300000000 ] - [ -0.0004080300000000, 0.0000299400000000, -0.0019688300000000 ] - [ -0.0004669400000000, 0.0000000000000000, -0.0020589200000000 ] - [ -0.0004080300000000, -0.0000299400000000, -0.0019688300000000 ] - [ 0.0024246200000000, -0.0002601300000000, 0.0002473400000000 ] - [ 0.0024155600000000, 0.0000000000000000, 0.0004155900000000 ] - [ 0.0024246200000000, 0.0002601300000000, 0.0002473400000000 ] - [ -0.0022067500000000, 0.0000213400000000, -0.0008552200000000 ] - [ -0.0006096400000000, 0.0000000000000000, -0.0010942000000000 ] - [ -0.0022067500000000, -0.0000213400000000, -0.0008552200000000 ] - [ -0.0106883200000000, 0.0139223100000000, 0.0002493600000000 ] - [ 0.0028099700000000, 0.0000000000000000, 0.0004318400000000 ] - [ -0.0106883200000000, -0.0139223100000000, 0.0002493600000000 ] - [ 0.0039678100000000, -0.0000500600000000, -0.0024294400000000 ] - [ 0.0003083500000000, 0.0000000000000000, -0.0019506000000000 ] - [ 0.0039678100000000, 0.0000500600000000, -0.0024294400000000 ] - [ 0.0029135500000000, 0.0000087700000000, -0.0003507000000000 ] - [ 0.0029172400000000, 0.0000000000000000, -0.0003694900000000 ] - [ 0.0029135500000000, -0.0000087700000000, -0.0003507000000000 ] - [ -0.0003373500000000, 0.0000084400000000, -0.0013339400000000 ] - [ -0.0003042800000000, 0.0000000000000000, -0.0014139000000000 ] - [ -0.0003373500000000, -0.0000084400000000, -0.0013339400000000 ] - [ 0.0013798000000000, 0.0000043800000000, -0.0001840400000000 ] - [ 0.0013907900000000, 0.0000000000000000, -0.0001750700000000 ] - [ 0.0013798000000000, -0.0000043800000000, -0.0001840400000000 ] - [ 0.0004098500000000, 0.0000038900000000, -0.0004695400000000 ] - [ 0.0004138000000000, 0.0000000000000000, -0.0004677300000000 ] - [ 0.0004098500000000, -0.0000038900000000, -0.0004695400000000 ] - [ 0.0023667000000000, 0.0000024900000000, -0.0001627700000000 ] - [ 0.0023612000000000, 0.0000000000000000, -0.0001667600000000 ] - [ 0.0023667000000000, -0.0000024900000000, -0.0001627700000000 ] - [ -0.0001216700000000, 0.0000033700000000, -0.0020603700000000 ] - [ -0.0001235000000000, 0.0000000000000000, -0.0020631300000000 ] - [ -0.0001216700000000, -0.0000033700000000, -0.0020603700000000 ] - [ 0.0024543400000000, 0.0005968700000000, 0.0006672900000000 ] - [ 0.0024948100000000, 0.0000000000000000, 0.0002470600000000 ] - [ 0.0024543400000000, -0.0005968700000000, 0.0006672900000000 ] - [ 0.0024462600000000, 0.0000016800000000, 0.0002548200000000 ] - [ 0.0024357200000000, 0.0000000000000000, 0.0002615200000000 ] - [ 0.0024462600000000, -0.0000016800000000, 0.0002548200000000 ] - [ 0.0616455800000000, 0.0000000000000000, -0.0040768900000000 ] - [ 0.0048982400000000, -0.0022570600000000, -0.0036611400000000 ] - [ 0.0048982400000000, 0.0022570600000000, -0.0036611400000000 ] - [ 0.0056365400000000, 0.0000000000000000, -0.0033360600000000 ] - [ 0.0047328800000000, 0.0000330500000000, -0.0035128500000000 ] - [ 0.0047328800000000, -0.0000330500000000, -0.0035128500000000 ] - [ 0.0031796300000000, 0.0000000000000000, -0.0026713600000000 ] - [ 0.0047966500000000, 0.0001550100000000, -0.0025827300000000 ] - [ 0.0047966500000000, -0.0001550100000000, -0.0025827300000000 ] - [ 0.0069194600000000, 0.0000000000000000, -0.0006755300000000 ] - [ 0.0069297500000000, 0.0000223900000000, -0.0006821500000000 ] - [ 0.0069297500000000, -0.0000223900000000, -0.0006821500000000 ] - [ 0.0006092000000000, 0.0000000000000000, -0.0042928600000000 ] - [ 0.0021534500000000, 0.0007885300000000, -0.0042889000000000 ] - [ 0.0021534500000000, -0.0007885300000000, -0.0042889000000000 ] - [ 0.0034897100000000, 0.0000000000000000, -0.0039962200000000 ] - [ 0.0050583000000000, 0.0001257300000000, -0.0040064900000000 ] - [ 0.0050583000000000, -0.0001257300000000, -0.0040064900000000 ] - [ 0.0068789300000000, 0.0000000000000000, 0.0043753300000000 ] - [ 0.0068690300000000, 0.0000192100000000, 0.0043670600000000 ] - [ 0.0068690300000000, -0.0000192100000000, 0.0043670600000000 ] - [ 0.0003796800000000, 0.0000000000000000, 0.0003105500000000 ] - [ 0.0003685600000000, -0.0000687700000000, 0.0001597000000000 ] - [ 0.0003685600000000, 0.0000687700000000, 0.0001597000000000 ] - [ 0.0026591200000000, 0.0000000000000000, -0.0053061400000000 ] - [ -0.0000257900000000, 0.0005996300000000, -0.0006934000000000 ] - [ -0.0000257900000000, -0.0005996300000000, -0.0006934000000000 ] - [ 0.0012986200000000, 0.0000000000000000, 0.0045595300000000 ] - [ -0.0001766000000000, 0.0007311600000000, 0.0006956000000000 ] - [ -0.0001766000000000, -0.0007311600000000, 0.0006956000000000 ] - [ -0.0005840100000000, 0.0000000000000000, 0.0038450000000000 ] - [ -0.0005007600000000, -0.0006833900000000, 0.0006310200000000 ] - [ -0.0005007600000000, 0.0006833900000000, 0.0006310200000000 ] - [ -0.0023897400000000, 0.0000000000000000, -0.0023117500000000 ] - [ -0.0009886500000000, -0.0007774200000000, -0.0005853700000000 ] - [ -0.0009886500000000, 0.0007774200000000, -0.0005853700000000 ] - [ 0.0001233000000000, 0.0000000000000000, 0.0001281100000000 ] - [ 0.0001232200000000, 0.0000033800000000, 0.0000893500000000 ] - [ 0.0001232200000000, -0.0000033800000000, 0.0000893500000000 ] - [ -0.0006382900000000, 0.0000000000000000, -0.0003527500000000 ] - [ -0.0006498100000000, -0.0000649200000000, -0.0002114800000000 ] - [ -0.0006498100000000, 0.0000649200000000, -0.0002114800000000 ] - [ -0.0094250000000000, -0.0000191900000000, -0.0033444400000000 ] - [ -0.0094165800000000, 0.0000000000000000, -0.0032974300000000 ] - [ -0.0094250000000000, 0.0000191900000000, -0.0033444400000000 ] - [ -0.0111817500000000, -0.0000119300000000, 0.0051431400000000 ] - [ -0.0111825600000000, 0.0000000000000000, 0.0051184300000000 ] - [ -0.0111817500000000, 0.0000119300000000, 0.0051431400000000 ] - [ -0.0034419800000000, -0.0000177700000000, 0.0085840300000000 ] - [ -0.0034463700000000, 0.0000000000000000, 0.0085153200000000 ] - [ -0.0034419800000000, 0.0000177700000000, 0.0085840300000000 ] - [ -0.0066231400000000, -0.0001747000000000, 0.0042933900000000 ] - [ -0.0061010200000000, 0.0000000000000000, 0.0046201100000000 ] - [ -0.0066231400000000, 0.0001747000000000, 0.0042933900000000 ] - [ 0.0088536300000000, -0.0007722100000000, 0.0057913600000000 ] - [ -0.0060352700000000, 0.0000000000000000, 0.0057643800000000 ] - [ 0.0088536300000000, 0.0007722100000000, 0.0057913600000000 ] - [ -0.0249740700000000, -0.0017138200000000, 0.0048419200000000 ] - [ -0.0079137000000000, 0.0000000000000000, 0.0048059200000000 ] - [ -0.0249740700000000, 0.0017138200000000, 0.0048419200000000 ] - [ -0.0059561100000000, -0.0001810500000000, 0.0039661300000000 ] - [ -0.0066131400000000, 0.0000000000000000, 0.0036579900000000 ] - [ -0.0059561100000000, 0.0001810500000000, 0.0039661300000000 ] - [ -0.0077390100000000, -0.0001927800000000, 0.0049101900000000 ] - [ -0.0071085100000000, 0.0000000000000000, 0.0048243700000000 ] - [ -0.0077390100000000, 0.0001927800000000, 0.0049101900000000 ] - [ -0.0087608300000000, -0.0000168400000000, 0.0025226800000000 ] - [ -0.0087686200000000, 0.0000000000000000, 0.0025648600000000 ] - [ -0.0087608300000000, 0.0000168400000000, 0.0025226800000000 ] - [ -0.0061916400000000, -0.0001515900000000, 0.0049128700000000 ] - [ -0.0068512900000000, 0.0000000000000000, 0.0051529300000000 ] - [ -0.0061916400000000, 0.0001515900000000, 0.0049128700000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005365900000000, 0.0006619100000000, -0.0000678000000000 ] - [ -0.0006407400000000, -0.0003264900000000, 0.0002445900000000 ] - [ -0.0004316500000000, -0.0003287200000000, -0.0003739500000000 ] - [ -0.0001321600000000, 0.0002178300000000, 0.0000587000000000 ] - [ -0.0001378600000000, -0.0001090000000000, 0.0000587200000000 ] - [ -0.0001266400000000, -0.0001098600000000, 0.0000590900000000 ] - [ -0.0001562100000000, 0.0002172200000000, 0.0003129900000000 ] - [ -0.0001528900000000, -0.0001076500000000, 0.0003134300000000 ] - [ -0.0001590900000000, -0.0001085200000000, 0.0003117500000000 ] - [ 0.0044827000000000, -0.0089394300000000, -0.0036986500000000 ] - [ 0.0043833600000000, 0.0051366200000000, -0.0064777300000000 ] - [ 0.0045884200000000, 0.0051368900000000, -0.0009438800000000 ] - [ 0.0096359300000000, -0.0011413400000000, -0.0034456700000000 ] - [ 0.0096823500000000, 0.0006045400000000, -0.0035886100000000 ] - [ 0.0095904400000000, 0.0006080500000000, -0.0033045000000000 ] - [ 0.0013795000000000, -0.0010163700000000, -0.0072142500000000 ] - [ 0.0013540000000000, 0.0005077300000000, -0.0073235800000000 ] - [ 0.0014046200000000, 0.0005121600000000, -0.0071062700000000 ] - [ -0.0003612900000000, 0.0111452900000000, -0.0311390600000000 ] - [ -0.0006470000000000, 0.0044204600000000, -0.0013329300000000 ] - [ -0.0009336900000000, 0.0112058800000000, 0.0281693500000000 ] - [ 0.0035622700000000, -0.0007568600000000, -0.0015560300000000 ] - [ 0.0019751900000000, 0.0014710700000000, 0.0002523600000000 ] - [ 0.0004027800000000, -0.0007388400000000, 0.0020706800000000 ] - [ -0.0002441300000000, -0.0002777200000000, -0.0036033300000000 ] - [ -0.0003188200000000, 0.0005570600000000, -0.0019838500000000 ] - [ -0.0003936300000000, -0.0002723400000000, -0.0003474000000000 ] - [ 0.0003958000000000, -0.0008690500000000, -0.0018322900000000 ] - [ 0.0019417300000000, 0.0016586700000000, 0.0000510900000000 ] - [ 0.0034846000000000, -0.0008426200000000, 0.0019519100000000 ] - [ -0.0006625900000000, -0.0003993200000000, -0.0043239200000000 ] - [ -0.0000514500000000, 0.0012299300000000, -0.0013403400000000 ] - [ 0.0005576300000000, -0.0003971000000000, 0.0016484600000000 ] - [ 0.0293142100000000, 0.0107222700000000, 0.0012723500000000 ] - [ 0.0023107600000000, 0.0051717900000000, -0.0000881100000000 ] - [ -0.0243609700000000, 0.0107894300000000, -0.0014358200000000 ] - [ 0.0007626000000000, -0.0012128000000000, -0.0057285300000000 ] - [ 0.0003452200000000, 0.0023694900000000, -0.0012416700000000 ] - [ -0.0000660500000000, -0.0011801200000000, 0.0032552700000000 ] - [ -0.0007773500000000, -0.0003683100000000, 0.0010465500000000 ] - [ -0.0005058100000000, 0.0012366800000000, -0.0019389900000000 ] - [ -0.0002346500000000, -0.0003645800000000, -0.0049386400000000 ] - [ 0.0041432000000000, -0.0007257200000000, 0.0022348800000000 ] - [ 0.0024859900000000, 0.0014137500000000, 0.0005439400000000 ] - [ 0.0008291400000000, -0.0007070100000000, -0.0011652100000000 ] - [ 0.0000403800000000, -0.0011829100000000, 0.0031750400000000 ] - [ -0.0004760700000000, 0.0022269300000000, -0.0011435900000000 ] - [ -0.0009866900000000, -0.0011459200000000, -0.0054735900000000 ] - [ -0.0207961500000000, 0.0097890700000000, 0.0008530900000000 ] - [ 0.0025873600000000, 0.0054393000000000, 0.0004445600000000 ] - [ 0.0258700200000000, 0.0098559000000000, 0.0000404600000000 ] - [ -0.0001314200000000, 0.0105795500000000, 0.0265658900000000 ] - [ 0.0001310800000000, 0.0044693000000000, -0.0014748700000000 ] - [ 0.0003883000000000, 0.0106433800000000, -0.0293697600000000 ] - [ 0.0030480000000000, -0.0001513700000000, -0.0001271900000000 ] - [ 0.0029363400000000, 0.0003011300000000, -0.0003507900000000 ] - [ 0.0028248200000000, -0.0001496600000000, -0.0005772500000000 ] - [ -0.0002338700000000, -0.0002808700000000, -0.0000032400000000 ] - [ -0.0002816000000000, 0.0005560100000000, -0.0014131700000000 ] - [ -0.0003291400000000, -0.0002748500000000, -0.0028421300000000 ] - [ 0.0015034800000000, -0.0000927900000000, -0.0004733600000000 ] - [ 0.0014175100000000, 0.0001860300000000, -0.0001826900000000 ] - [ 0.0013325700000000, -0.0000919200000000, 0.0001098000000000 ] - [ 0.0003740800000000, -0.0000871900000000, -0.0004939800000000 ] - [ 0.0004182200000000, 0.0001741000000000, -0.0004580500000000 ] - [ 0.0004628600000000, -0.0000862000000000, -0.0004228600000000 ] - [ 0.0022921100000000, -0.0001100200000000, 0.0000506000000000 ] - [ 0.0023488700000000, 0.0002114300000000, -0.0001662000000000 ] - [ 0.0024053000000000, -0.0001089300000000, -0.0003853600000000 ] - [ -0.0001528500000000, -0.0000790100000000, -0.0021881700000000 ] - [ -0.0001252100000000, 0.0002672300000000, -0.0020671600000000 ] - [ -0.0000977100000000, -0.0000789700000000, -0.0019470000000000 ] - [ 0.0010200000000000, -0.0007613600000000, 0.0018002100000000 ] - [ 0.0024274100000000, 0.0014442000000000, 0.0001895100000000 ] - [ 0.0038396600000000, -0.0007363200000000, -0.0014423700000000 ] - [ 0.0023117900000000, -0.0001083200000000, -0.0000382300000000 ] - [ 0.0024127400000000, 0.0002069500000000, 0.0002598500000000 ] - [ 0.0025126200000000, -0.0001074200000000, 0.0005594300000000 ] - [ 0.0052087100000000, -0.1927716700000000, -0.0032805500000000 ] - [ 0.0033127600000000, 0.0395354700000000, -0.0020477100000000 ] - [ 0.0077113100000000, 0.0391267300000000, -0.0048636400000000 ] - [ 0.0046476200000000, -0.0083617500000000, -0.0034183200000000 ] - [ 0.0046255500000000, 0.0047978800000000, -0.0011392600000000 ] - [ 0.0046733400000000, 0.0048200400000000, -0.0056682800000000 ] - [ 0.0049468100000000, -0.0037485500000000, -0.0025568000000000 ] - [ 0.0051171900000000, 0.0018464600000000, -0.0033602600000000 ] - [ 0.0047788800000000, 0.0018672700000000, -0.0018033700000000 ] - [ 0.0069231900000000, -0.0011769400000000, -0.0006741100000000 ] - [ 0.0069426500000000, 0.0006359500000000, -0.0005256300000000 ] - [ 0.0069035300000000, 0.0006407100000000, -0.0008204100000000 ] - [ 0.0047358500000000, -0.0152074500000000, -0.0043284700000000 ] - [ 0.0053812700000000, 0.0087509200000000, -0.0043428500000000 ] - [ 0.0040821800000000, 0.0087737000000000, -0.0043208600000000 ] - [ 0.0052017900000000, -0.0035551600000000, -0.0040215400000000 ] - [ 0.0053326400000000, 0.0017468600000000, -0.0033556000000000 ] - [ 0.0050740600000000, 0.0017708300000000, -0.0046408000000000 ] - [ 0.0068773500000000, -0.0009191600000000, 0.0043643100000000 ] - [ 0.0068904500000000, 0.0004592000000000, 0.0044825700000000 ] - [ 0.0068643600000000, 0.0004638700000000, 0.0042479000000000 ] - [ 0.0004353000000000, 0.0013746700000000, 0.0001034600000000 ] - [ 0.0007108900000000, -0.0006800400000000, 0.0007258000000000 ] - [ 0.0001580200000000, -0.0006857300000000, -0.0005060200000000 ] - [ -0.0002139500000000, 0.0110766400000000, -0.0000049000000000 ] - [ -0.0026702500000000, -0.0044087200000000, 0.0030463100000000 ] - [ 0.0020396300000000, -0.0044175900000000, -0.0028459700000000 ] - [ -0.0002901300000000, 0.0111688100000000, -0.0000840900000000 ] - [ -0.0023276000000000, -0.0040789500000000, -0.0033028600000000 ] - [ 0.0015204800000000, -0.0040934700000000, 0.0029302200000000 ] - [ -0.0001180400000000, 0.0108633900000000, -0.0000647900000000 ] - [ 0.0022897000000000, -0.0038417100000000, 0.0026922700000000 ] - [ -0.0023347200000000, -0.0038585600000000, -0.0025802600000000 ] - [ -0.0006798200000000, 0.0102833400000000, 0.0001417000000000 ] - [ 0.0013803000000000, -0.0033927900000000, -0.0025906300000000 ] - [ -0.0025259400000000, -0.0034186200000000, 0.0026453200000000 ] - [ 0.0000889100000000, 0.0013494300000000, 0.0000371100000000 ] - [ -0.0001135800000000, -0.0006642900000000, -0.0006503500000000 ] - [ 0.0002924600000000, -0.0006710000000000, 0.0007102600000000 ] - [ -0.0006059700000000, 0.0012788200000000, -0.0001544900000000 ] - [ -0.0003804300000000, -0.0006323100000000, -0.0007633300000000 ] - [ -0.0008315600000000, -0.0006393500000000, 0.0004409800000000 ] - [ -0.0093797600000000, 0.0004357000000000, -0.0041299700000000 ] - [ -0.0094366100000000, -0.0008702000000000, -0.0033072300000000 ] - [ -0.0094940200000000, 0.0004307100000000, -0.0024720400000000 ] - [ -0.0112544900000000, 0.0004633500000000, 0.0067167800000000 ] - [ -0.0111829500000000, -0.0010663200000000, 0.0051972800000000 ] - [ -0.0111115000000000, 0.0004605900000000, 0.0036726800000000 ] - [ -0.0033595100000000, 0.0004652100000000, 0.0094903800000000 ] - [ -0.0034619400000000, -0.0009289000000000, 0.0084993100000000 ] - [ -0.0035650000000000, 0.0004605800000000, 0.0074982800000000 ] - [ -0.0051038200000000, 0.0034076200000000, 0.0206095900000000 ] - [ -0.0059673400000000, -0.0074092400000000, 0.0049428800000000 ] - [ -0.0068335700000000, 0.0033794800000000, -0.0106935400000000 ] - [ -0.0073335000000000, 0.0057278400000000, 0.0060461800000000 ] - [ -0.0064019800000000, -0.0126509700000000, 0.0057585400000000 ] - [ -0.0055855400000000, 0.0056651300000000, 0.0054697200000000 ] - [ -0.0040328700000000, 0.0154070400000000, 0.0019697400000000 ] - [ -0.0075267500000000, -0.0306653400000000, 0.0047684500000000 ] - [ -0.0108585700000000, 0.0104187900000000, 0.0074674200000000 ] - [ -0.0070237300000000, 0.0017655200000000, 0.0074588700000000 ] - [ -0.0067585900000000, -0.0034688300000000, 0.0036481100000000 ] - [ -0.0064992500000000, 0.0017157600000000, -0.0001942800000000 ] - [ -0.0069241400000000, 0.0030824800000000, -0.0115830400000000 ] - [ -0.0069550400000000, -0.0069444500000000, 0.0044547200000000 ] - [ -0.0069820200000000, 0.0030467400000000, 0.0205506300000000 ] - [ -0.0088538200000000, 0.0004282800000000, 0.0012365700000000 ] - [ -0.0087622200000000, -0.0010052900000000, 0.0025038200000000 ] - [ -0.0086706900000000, 0.0004237100000000, 0.0037790400000000 ] - [ -0.0071371600000000, 0.0016278800000000, 0.0014154900000000 ] - [ -0.0070019700000000, -0.0031984200000000, 0.0051430900000000 ] - [ -0.0068728400000000, 0.0015769800000000, 0.0089079300000000 ]- atom: 79 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0004415800000000, 0.0000000000000000, -0.0006344900000000 ] - [ -0.0004351800000000, 0.0001190500000000, -0.0004252300000000 ] - [ -0.0004351800000000, -0.0001190500000000, -0.0004252300000000 ] - [ -0.0001253400000000, 0.0000000000000000, -0.0003637300000000 ] - [ -0.0001267300000000, -0.0000041900000000, -0.0003256900000000 ] - [ -0.0001267300000000, 0.0000041900000000, -0.0003256900000000 ] - [ -0.0001627500000000, 0.0000000000000000, -0.0001522100000000 ] - [ -0.0001613000000000, -0.0000026100000000, -0.0001129300000000 ] - [ -0.0001613000000000, 0.0000026100000000, -0.0001129300000000 ] - [ 0.0045185300000000, 0.0000000000000000, -0.0018283500000000 ] - [ 0.0047038600000000, -0.0023255000000000, -0.0025568400000000 ] - [ 0.0047038600000000, 0.0023255000000000, -0.0025568400000000 ] - [ 0.0095367200000000, 0.0000000000000000, -0.0027517300000000 ] - [ 0.0095604400000000, -0.0001410100000000, -0.0028211400000000 ] - [ 0.0095604400000000, 0.0001410100000000, -0.0028211400000000 ] - [ 0.0014685700000000, 0.0000000000000000, -0.0066538500000000 ] - [ 0.0014539300000000, -0.0001453400000000, -0.0067217800000000 ] - [ 0.0014539300000000, 0.0001453400000000, -0.0067217800000000 ] - [ -0.0012929100000000, -0.0145080600000000, 0.0069023800000000 ] - [ -0.0006962900000000, 0.0000000000000000, -0.0031072700000000 ] - [ -0.0012929100000000, 0.0145080600000000, 0.0069023800000000 ] - [ 0.0010237600000000, -0.0005411600000000, 0.0008133800000000 ] - [ 0.0015552700000000, 0.0000000000000000, 0.0001708600000000 ] - [ 0.0010237600000000, 0.0005411600000000, 0.0008133800000000 ] - [ -0.0002466900000000, -0.0001790900000000, -0.0002174100000000 ] - [ -0.0002366800000000, 0.0000000000000000, -0.0009052900000000 ] - [ -0.0002466900000000, 0.0001790900000000, -0.0002174100000000 ] - [ 0.0029805000000000, -0.0008136000000000, 0.0008481500000000 ] - [ 0.0022640100000000, 0.0000000000000000, 0.0000008100000000 ] - [ 0.0029805000000000, 0.0008136000000000, 0.0008481500000000 ] - [ 0.0001235900000000, -0.0002785000000000, 0.0013613400000000 ] - [ -0.0000412500000000, 0.0000000000000000, 0.0003562400000000 ] - [ 0.0001235900000000, 0.0002785000000000, 0.0013613400000000 ] - [ 0.0016487700000000, 0.0001923500000000, -0.0050422700000000 ] - [ 0.0020037800000000, 0.0000000000000000, -0.0010627900000000 ] - [ 0.0016487700000000, -0.0001923500000000, -0.0050422700000000 ] - [ 0.0000967700000000, -0.0008101700000000, -0.0037727200000000 ] - [ 0.0001885900000000, 0.0000000000000000, -0.0028316700000000 ] - [ 0.0000967700000000, 0.0008101700000000, -0.0037727200000000 ] - [ -0.0005814600000000, 0.0004152600000000, 0.0006402500000000 ] - [ -0.0004921000000000, 0.0000000000000000, -0.0006194100000000 ] - [ -0.0005814600000000, -0.0004152600000000, 0.0006402500000000 ] - [ 0.0036328000000000, 0.0005924600000000, 0.0012346900000000 ] - [ 0.0028692200000000, 0.0000000000000000, 0.0004005600000000 ] - [ 0.0036328000000000, -0.0005924600000000, 0.0012346900000000 ] - [ -0.0004469500000000, 0.0010650900000000, -0.0038231800000000 ] - [ -0.0004550400000000, 0.0000000000000000, -0.0030054400000000 ] - [ -0.0004469500000000, -0.0010650900000000, -0.0038231800000000 ] - [ 0.0031028800000000, -0.0000181500000000, -0.0044590900000000 ] - [ 0.0028182900000000, 0.0000000000000000, -0.0005706300000000 ] - [ 0.0031028800000000, 0.0000181500000000, -0.0044590900000000 ] - [ 0.0003690100000000, 0.0144720500000000, 0.0082313600000000 ] - [ 0.0001529000000000, 0.0000000000000000, -0.0039877600000000 ] - [ 0.0003690100000000, -0.0144720500000000, 0.0082313600000000 ] - [ 0.0030807900000000, 0.0000699500000000, 0.0003100100000000 ] - [ 0.0030543300000000, 0.0000000000000000, 0.0001464000000000 ] - [ 0.0030807900000000, -0.0000699500000000, 0.0003100100000000 ] - [ -0.0002900600000000, 0.0002097700000000, 0.0000383600000000 ] - [ -0.0002966400000000, 0.0000000000000000, -0.0006798500000000 ] - [ -0.0002900600000000, -0.0002097700000000, 0.0000383600000000 ] - [ 0.0013919400000000, -0.0000314100000000, 0.0004053600000000 ] - [ 0.0013949800000000, 0.0000000000000000, 0.0002526000000000 ] - [ 0.0013919400000000, 0.0000314100000000, 0.0004053600000000 ] - [ 0.0004155100000000, 0.0000031600000000, 0.0017539100000000 ] - [ 0.0004182200000000, 0.0000000000000000, 0.0014050100000000 ] - [ 0.0004155100000000, -0.0000031600000000, 0.0017539100000000 ] - [ 0.0022494400000000, 0.0000402500000000, 0.0004243000000000 ] - [ 0.0022577200000000, 0.0000000000000000, 0.0002710000000000 ] - [ 0.0022494400000000, -0.0000402500000000, 0.0004243000000000 ] - [ -0.0001495500000000, 0.0000083700000000, 0.0004170500000000 ] - [ -0.0001518200000000, 0.0000000000000000, 0.0000139100000000 ] - [ -0.0001495500000000, -0.0000083700000000, 0.0004170500000000 ] - [ 0.0012230200000000, 0.0007904900000000, 0.0009142300000000 ] - [ 0.0020626300000000, 0.0000000000000000, 0.0000098800000000 ] - [ 0.0012230200000000, -0.0007904900000000, 0.0009142300000000 ] - [ 0.0024648500000000, -0.0000305200000000, 0.0008864700000000 ] - [ 0.0024525200000000, 0.0000000000000000, 0.0007343100000000 ] - [ 0.0024648500000000, 0.0000305200000000, 0.0008864700000000 ] - [ 0.0062322600000000, 0.0000000000000000, -0.0614793300000000 ] - [ 0.0057219400000000, -0.0014690600000000, -0.0037046700000000 ] - [ 0.0057219400000000, 0.0014690600000000, -0.0037046700000000 ] - [ 0.0047079500000000, 0.0000000000000000, -0.0014933600000000 ] - [ 0.0045725300000000, 0.0027620300000000, -0.0022360700000000 ] - [ 0.0045725300000000, -0.0027620300000000, -0.0022360700000000 ] - [ 0.0049300600000000, 0.0000000000000000, -0.0010642300000000 ] - [ 0.0049251200000000, -0.0007262100000000, -0.0026102700000000 ] - [ 0.0049251200000000, 0.0007262100000000, -0.0026102700000000 ] - [ 0.0069564800000000, 0.0000000000000000, 0.0001047000000000 ] - [ 0.0069519900000000, 0.0001964900000000, 0.0000144600000000 ] - [ 0.0069519900000000, -0.0001964900000000, 0.0000144600000000 ] - [ 0.0047332500000000, 0.0000000000000000, -0.0072726600000000 ] - [ 0.0047349700000000, 0.0000208600000000, -0.0053652000000000 ] - [ 0.0047349700000000, -0.0000208600000000, -0.0053652000000000 ] - [ 0.0052235900000000, 0.0000000000000000, -0.0025200500000000 ] - [ 0.0052016800000000, 0.0008511500000000, -0.0040638000000000 ] - [ 0.0052016800000000, -0.0008511500000000, -0.0040638000000000 ] - [ 0.0068736100000000, 0.0000000000000000, 0.0049309000000000 ] - [ 0.0068676600000000, 0.0001651100000000, 0.0048485900000000 ] - [ 0.0068676600000000, -0.0001651100000000, 0.0048485900000000 ] - [ 0.0001783200000000, 0.0000000000000000, -0.0010320900000000 ] - [ 0.0001649100000000, 0.0002574600000000, -0.0005881500000000 ] - [ 0.0001649100000000, -0.0002574600000000, -0.0005881500000000 ] - [ 0.0055417800000000, 0.0000000000000000, -0.0009194600000000 ] - [ 0.0006958500000000, 0.0009421200000000, 0.0010878600000000 ] - [ 0.0006958500000000, -0.0009421200000000, 0.0010878600000000 ] - [ -0.0051004300000000, 0.0000000000000000, 0.0006528600000000 ] - [ -0.0011596200000000, -0.0009256300000000, 0.0013586200000000 ] - [ -0.0011596200000000, 0.0009256300000000, 0.0013586200000000 ] - [ -0.0035613600000000, 0.0000000000000000, 0.0012491200000000 ] - [ -0.0010192800000000, 0.0009753400000000, 0.0010548400000000 ] - [ -0.0010192800000000, -0.0009753400000000, 0.0010548400000000 ] - [ 0.0016020000000000, 0.0000000000000000, 0.0034235100000000 ] - [ 0.0002245600000000, -0.0010196300000000, 0.0015708800000000 ] - [ 0.0002245600000000, 0.0010196300000000, 0.0015708800000000 ] - [ -0.0001447900000000, 0.0000000000000000, -0.0011783100000000 ] - [ -0.0001550500000000, -0.0003030100000000, -0.0006570400000000 ] - [ -0.0001550500000000, 0.0003030100000000, -0.0006570400000000 ] - [ -0.0003442800000000, 0.0000000000000000, -0.0012730900000000 ] - [ -0.0003328800000000, -0.0002929800000000, -0.0007766600000000 ] - [ -0.0003328800000000, 0.0002929800000000, -0.0007766600000000 ] - [ -0.0092618700000000, -0.0001650000000000, -0.0059535000000000 ] - [ -0.0093080600000000, 0.0000000000000000, -0.0052741800000000 ] - [ -0.0092618700000000, 0.0001650000000000, -0.0059535000000000 ] - [ -0.0108653500000000, 0.0001367600000000, 0.0017639200000000 ] - [ -0.0108995700000000, 0.0000000000000000, 0.0024766200000000 ] - [ -0.0108653500000000, -0.0001367600000000, 0.0017639200000000 ] - [ -0.0037996500000000, 0.0001399800000000, 0.0056483400000000 ] - [ -0.0037323200000000, 0.0000000000000000, 0.0063100100000000 ] - [ -0.0037996500000000, -0.0001399800000000, 0.0056483400000000 ] - [ -0.0061732100000000, 0.0016281400000000, -0.0016109700000000 ] - [ -0.0059154400000000, 0.0000000000000000, 0.0048701400000000 ] - [ -0.0061732100000000, -0.0016281400000000, -0.0016109700000000 ] - [ -0.0062748800000000, -0.0002064300000000, 0.0106902700000000 ] - [ -0.0063510600000000, 0.0000000000000000, 0.0084773300000000 ] - [ -0.0062748800000000, 0.0002064300000000, 0.0106902700000000 ] - [ -0.0073998600000000, -0.0010934300000000, 0.0260478000000000 ] - [ -0.0074896600000000, 0.0000000000000000, 0.0084256600000000 ] - [ -0.0073998600000000, 0.0010934300000000, 0.0260478000000000 ] - [ -0.0068921600000000, 0.0016037100000000, 0.0034578600000000 ] - [ -0.0067127900000000, 0.0000000000000000, 0.0038120400000000 ] - [ -0.0068921600000000, -0.0016037100000000, 0.0034578600000000 ] - [ -0.0070418000000000, -0.0021174800000000, -0.0033136900000000 ] - [ -0.0069848100000000, 0.0000000000000000, 0.0052872500000000 ] - [ -0.0070418000000000, 0.0021174800000000, -0.0033136900000000 ] - [ -0.0089596100000000, -0.0001670200000000, -0.0004974300000000 ] - [ -0.0089151400000000, 0.0000000000000000, 0.0002497500000000 ] - [ -0.0089596100000000, 0.0001670200000000, -0.0004974300000000 ] - [ -0.0067508800000000, -0.0017302200000000, 0.0053044400000000 ] - [ -0.0069686300000000, 0.0000000000000000, 0.0058828900000000 ] - [ -0.0067508800000000, 0.0017302200000000, 0.0053044400000000 ]- atom: 79 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0006287200000000, 0.0000000000000000, 0.0005061000000000 ] - [ -0.0006359800000000, -0.0001200700000000, 0.0002931200000000 ] - [ -0.0006359800000000, 0.0001200700000000, 0.0002931200000000 ] - [ -0.0001390600000000, 0.0000000000000000, 0.0004802000000000 ] - [ -0.0001383700000000, 0.0000038300000000, 0.0004426500000000 ] - [ -0.0001383700000000, -0.0000038300000000, 0.0004426500000000 ] - [ -0.0001493100000000, 0.0000000000000000, 0.0007742600000000 ] - [ -0.0001504800000000, 0.0000023100000000, 0.0007351400000000 ] - [ -0.0001504800000000, -0.0000023100000000, 0.0007351400000000 ] - [ 0.0044580900000000, 0.0000000000000000, -0.0055783200000000 ] - [ 0.0042692600000000, 0.0023518900000000, -0.0048470500000000 ] - [ 0.0042692600000000, -0.0023518900000000, -0.0048470500000000 ] - [ 0.0097353600000000, 0.0000000000000000, -0.0041367300000000 ] - [ 0.0097120400000000, 0.0001426600000000, -0.0040679400000000 ] - [ 0.0097120400000000, -0.0001426600000000, -0.0040679400000000 ] - [ 0.0012900700000000, 0.0000000000000000, -0.0077750500000000 ] - [ 0.0013045200000000, 0.0001473600000000, -0.0077069000000000 ] - [ 0.0013045200000000, -0.0001473600000000, -0.0077069000000000 ] - [ 0.0000088000000000, 0.0147159500000000, -0.0095711600000000 ] - [ -0.0005979600000000, 0.0000000000000000, 0.0005403500000000 ] - [ 0.0000088000000000, -0.0147159500000000, -0.0095711600000000 ] - [ 0.0029216600000000, 0.0005465400000000, -0.0002985100000000 ] - [ 0.0023849500000000, 0.0000000000000000, 0.0003486800000000 ] - [ 0.0029216600000000, -0.0005465400000000, -0.0002985100000000 ] - [ -0.0003911400000000, 0.0001812100000000, -0.0037360900000000 ] - [ -0.0004011800000000, 0.0000000000000000, -0.0030425300000000 ] - [ -0.0003911400000000, -0.0001812100000000, -0.0037360900000000 ] - [ 0.0009104500000000, 0.0008222400000000, -0.0007374600000000 ] - [ 0.0016309700000000, 0.0000000000000000, 0.0001172700000000 ] - [ 0.0009104500000000, -0.0008222400000000, -0.0007374600000000 ] - [ -0.0002242400000000, 0.0002829000000000, -0.0040207700000000 ] - [ -0.0000579200000000, 0.0000000000000000, -0.0030064100000000 ] - [ -0.0002242400000000, -0.0002829000000000, -0.0040207700000000 ] - [ 0.0028090300000000, -0.0002560900000000, 0.0048512300000000 ] - [ 0.0025430500000000, 0.0000000000000000, 0.0008771300000000 ] - [ 0.0028090300000000, 0.0002560900000000, 0.0048512300000000 ] - [ 0.0005902300000000, 0.0008210400000000, 0.0013349700000000 ] - [ 0.0004985300000000, 0.0000000000000000, 0.0003832000000000 ] - [ 0.0005902300000000, -0.0008210400000000, 0.0013349700000000 ] - [ -0.0004296400000000, -0.0004088300000000, -0.0045242400000000 ] - [ -0.0005182900000000, 0.0000000000000000, -0.0032758300000000 ] - [ -0.0004296400000000, 0.0004088300000000, -0.0045242400000000 ] - [ 0.0013356700000000, -0.0005861500000000, -0.0001562900000000 ] - [ 0.0020967900000000, 0.0000000000000000, 0.0006719700000000 ] - [ 0.0013356700000000, 0.0005861500000000, -0.0001562900000000 ] - [ -0.0005105000000000, -0.0010505700000000, 0.0014815900000000 ] - [ -0.0005011600000000, 0.0000000000000000, 0.0006711700000000 ] - [ -0.0005105000000000, 0.0010505700000000, 0.0014815900000000 ] - [ 0.0022099500000000, -0.0000448200000000, 0.0053411700000000 ] - [ 0.0024049000000000, 0.0000000000000000, 0.0014536800000000 ] - [ 0.0022099500000000, 0.0000448200000000, 0.0053411700000000 ] - [ -0.0001019000000000, -0.0142796800000000, -0.0111899100000000 ] - [ 0.0001102900000000, 0.0000000000000000, 0.0009265800000000 ] - [ -0.0001019000000000, 0.0142796800000000, -0.0111899100000000 ] - [ 0.0027921300000000, -0.0000692200000000, -0.0010102800000000 ] - [ 0.0028187500000000, 0.0000000000000000, -0.0008475000000000 ] - [ 0.0027921300000000, 0.0000692200000000, -0.0010102800000000 ] - [ -0.0002736300000000, -0.0002073600000000, -0.0028697500000000 ] - [ -0.0002671500000000, 0.0000000000000000, -0.0021565800000000 ] - [ -0.0002736300000000, 0.0002073600000000, -0.0028697500000000 ] - [ 0.0014399900000000, 0.0000316700000000, -0.0007693100000000 ] - [ 0.0014369900000000, 0.0000000000000000, -0.0006157900000000 ] - [ 0.0014399900000000, -0.0000316700000000, -0.0007693100000000 ] - [ 0.0004219000000000, -0.0000027200000000, -0.0026616000000000 ] - [ 0.0004195600000000, 0.0000000000000000, -0.0023129900000000 ] - [ 0.0004219000000000, 0.0000027200000000, -0.0026616000000000 ] - [ 0.0024470000000000, -0.0000396600000000, -0.0007550400000000 ] - [ 0.0024385400000000, 0.0000000000000000, -0.0006027300000000 ] - [ 0.0024470000000000, 0.0000396600000000, -0.0007550400000000 ] - [ -0.0001011400000000, -0.0000074600000000, -0.0045388000000000 ] - [ -0.0000988000000000, 0.0000000000000000, -0.0041354700000000 ] - [ -0.0001011400000000, 0.0000074600000000, -0.0045388000000000 ] - [ 0.0036338600000000, -0.0007817100000000, -0.0005416300000000 ] - [ 0.0027963000000000, 0.0000000000000000, 0.0003553100000000 ] - [ 0.0036338600000000, 0.0007817100000000, -0.0005416300000000 ] - [ 0.0023610900000000, 0.0000308300000000, -0.0003628900000000 ] - [ 0.0023733500000000, 0.0000000000000000, -0.0002100000000000 ] - [ 0.0023610900000000, -0.0000308300000000, -0.0003628900000000 ] - [ 0.0050552100000000, 0.0000000000000000, 0.0544443000000000 ] - [ 0.0053426600000000, 0.0013500400000000, -0.0032400900000000 ] - [ 0.0053426600000000, -0.0013500400000000, -0.0032400900000000 ] - [ 0.0045938200000000, 0.0000000000000000, -0.0053153100000000 ] - [ 0.0047271200000000, -0.0027350100000000, -0.0045749100000000 ] - [ 0.0047271200000000, 0.0027350100000000, -0.0045749100000000 ] - [ 0.0049616900000000, 0.0000000000000000, -0.0041127800000000 ] - [ 0.0049680600000000, 0.0007338600000000, -0.0025433000000000 ] - [ 0.0049680600000000, -0.0007338600000000, -0.0025433000000000 ] - [ 0.0068889800000000, 0.0000000000000000, -0.0014470800000000 ] - [ 0.0068935800000000, -0.0001941500000000, -0.0013580500000000 ] - [ 0.0068935800000000, 0.0001941500000000, -0.0013580500000000 ] - [ 0.0047036700000000, 0.0000000000000000, -0.0014007200000000 ] - [ 0.0047035600000000, -0.0000344400000000, -0.0033048600000000 ] - [ 0.0047035600000000, 0.0000344400000000, -0.0033048600000000 ] - [ 0.0051792700000000, 0.0000000000000000, -0.0054608500000000 ] - [ 0.0052020600000000, -0.0008420100000000, -0.0039398900000000 ] - [ 0.0052020600000000, 0.0008420100000000, -0.0039398900000000 ] - [ 0.0068810500000000, 0.0000000000000000, 0.0038027800000000 ] - [ 0.0068867800000000, -0.0001626700000000, 0.0038848400000000 ] - [ 0.0068867800000000, 0.0001626700000000, 0.0038848400000000 ] - [ 0.0006845400000000, 0.0000000000000000, 0.0012498400000000 ] - [ 0.0006996300000000, -0.0002596200000000, 0.0008027100000000 ] - [ 0.0006996300000000, 0.0002596200000000, 0.0008027100000000 ] - [ -0.0060811200000000, 0.0000000000000000, 0.0009970200000000 ] - [ -0.0012994300000000, -0.0009438300000000, -0.0009322800000000 ] - [ -0.0012994300000000, 0.0009438300000000, -0.0009322800000000 ] - [ 0.0044234000000000, 0.0000000000000000, -0.0008493400000000 ] - [ 0.0003699700000000, 0.0009226400000000, -0.0016714500000000 ] - [ 0.0003699700000000, -0.0009226400000000, -0.0016714500000000 ] - [ 0.0033145700000000, 0.0000000000000000, -0.0013455000000000 ] - [ 0.0009463600000000, -0.0009798600000000, -0.0009794200000000 ] - [ 0.0009463600000000, 0.0009798600000000, -0.0009794200000000 ] - [ -0.0029845700000000, 0.0000000000000000, -0.0031172500000000 ] - [ -0.0013884400000000, 0.0010149200000000, -0.0014676200000000 ] - [ -0.0013884400000000, -0.0010149200000000, -0.0014676200000000 ] - [ 0.0003242600000000, 0.0000000000000000, 0.0012333300000000 ] - [ 0.0003336600000000, 0.0003003800000000, 0.0007163900000000 ] - [ 0.0003336600000000, -0.0003003800000000, 0.0007163900000000 ] - [ -0.0008704500000000, 0.0000000000000000, 0.0009444400000000 ] - [ -0.0008800400000000, 0.0002900500000000, 0.0004533400000000 ] - [ -0.0008800400000000, -0.0002900500000000, 0.0004533400000000 ] - [ -0.0096115800000000, 0.0001631800000000, -0.0006648300000000 ] - [ -0.0095657700000000, 0.0000000000000000, -0.0013402300000000 ] - [ -0.0096115800000000, -0.0001631800000000, -0.0006648300000000 ] - [ -0.0114975400000000, -0.0001385400000000, 0.0086097600000000 ] - [ -0.0114630000000000, 0.0000000000000000, 0.0078925000000000 ] - [ -0.0114975400000000, 0.0001385400000000, 0.0086097600000000 ] - [ -0.0031260700000000, -0.0001413600000000, 0.0113342900000000 ] - [ -0.0031939600000000, 0.0000000000000000, 0.0106697300000000 ] - [ -0.0031260700000000, 0.0001413600000000, 0.0113342900000000 ] - [ -0.0057683600000000, -0.0016543300000000, 0.0114760400000000 ] - [ -0.0060229500000000, 0.0000000000000000, 0.0049382800000000 ] - [ -0.0057683600000000, 0.0016543300000000, 0.0114760400000000 ] - [ -0.0065210500000000, 0.0001883300000000, 0.0008425900000000 ] - [ -0.0064390700000000, 0.0000000000000000, 0.0030484000000000 ] - [ -0.0065210500000000, -0.0001883300000000, 0.0008425900000000 ] - [ -0.0076638100000000, 0.0008890500000000, -0.0164801800000000 ] - [ -0.0075529900000000, 0.0000000000000000, 0.0011252700000000 ] - [ -0.0076638100000000, -0.0008890500000000, -0.0164801800000000 ] - [ -0.0066183700000000, -0.0016210000000000, 0.0038076900000000 ] - [ -0.0068013600000000, 0.0000000000000000, 0.0034460000000000 ] - [ -0.0066183700000000, 0.0016210000000000, 0.0038076900000000 ] - [ -0.0068707600000000, 0.0020831500000000, 0.0122457700000000 ] - [ -0.0069270900000000, 0.0000000000000000, 0.0037060400000000 ] - [ -0.0068707600000000, -0.0020831500000000, 0.0122457700000000 ] - [ -0.0085649500000000, 0.0001658400000000, 0.0054990800000000 ] - [ -0.0086091100000000, 0.0000000000000000, 0.0047586300000000 ] - [ -0.0085649500000000, -0.0001658400000000, 0.0054990800000000 ] - [ -0.0072467200000000, 0.0017089300000000, 0.0050097200000000 ] - [ -0.0070297100000000, 0.0000000000000000, 0.0044433300000000 ] - [ -0.0072467200000000, -0.0017089300000000, 0.0050097200000000 ]- atom: 82 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005365500000000, 0.0000000000000000, -0.0000612500000000 ] - [ -0.0005372700000000, 0.0000025100000000, -0.0000626200000000 ] - [ -0.0005372700000000, -0.0000025100000000, -0.0000626200000000 ] - [ -0.0001369800000000, 0.0000000000000000, -0.0000047800000000 ] - [ -0.0001347500000000, -0.0000096200000000, 0.0000208400000000 ] - [ -0.0001347500000000, 0.0000096200000000, 0.0000208400000000 ] - [ -0.0001506700000000, 0.0000000000000000, 0.0003888600000000 ] - [ -0.0001474100000000, 0.0000261000000000, 0.0003267100000000 ] - [ -0.0001474100000000, -0.0000261000000000, 0.0003267100000000 ] - [ 0.0044897400000000, 0.0000000000000000, -0.0037103700000000 ] - [ 0.0044792100000000, -0.0000089200000000, -0.0037112900000000 ] - [ 0.0044792100000000, 0.0000089200000000, -0.0037112900000000 ] - [ 0.0096353800000000, 0.0000000000000000, -0.0034490200000000 ] - [ 0.0096339200000000, -0.0000158800000000, -0.0034475000000000 ] - [ 0.0096339200000000, 0.0000158800000000, -0.0034475000000000 ] - [ 0.0013791200000000, 0.0000000000000000, -0.0072204700000000 ] - [ 0.0013804900000000, -0.0000157400000000, -0.0072186800000000 ] - [ 0.0013804900000000, 0.0000157400000000, -0.0072186800000000 ] - [ -0.0007245600000000, -0.0000236600000000, -0.0013767300000000 ] - [ -0.0006716800000000, 0.0000000000000000, -0.0013935100000000 ] - [ -0.0007245600000000, 0.0000236600000000, -0.0013767300000000 ] - [ 0.0019869200000000, -0.0000045400000000, 0.0002533900000000 ] - [ 0.0019797700000000, 0.0000000000000000, 0.0002441800000000 ] - [ 0.0019869200000000, 0.0000045400000000, 0.0002533900000000 ] - [ -0.0003172000000000, -0.0000031200000000, -0.0019841300000000 ] - [ -0.0003173500000000, 0.0000000000000000, -0.0019794200000000 ] - [ -0.0003172000000000, 0.0000031200000000, -0.0019841300000000 ] - [ 0.0019315300000000, -0.0000006500000000, 0.0000517800000000 ] - [ 0.0019397000000000, 0.0000000000000000, 0.0000583500000000 ] - [ 0.0019315300000000, 0.0000006500000000, 0.0000517800000000 ] - [ -0.0000539400000000, -0.0000032800000000, -0.0013540200000000 ] - [ -0.0000557500000000, 0.0000000000000000, -0.0013411500000000 ] - [ -0.0000539400000000, 0.0000032800000000, -0.0013540200000000 ] - [ 0.0023056700000000, 0.0003718800000000, -0.0004621900000000 ] - [ 0.0023256700000000, 0.0000000000000000, -0.0002108200000000 ] - [ 0.0023056700000000, -0.0003718800000000, -0.0004621900000000 ] - [ 0.0004061200000000, -0.0000107200000000, -0.0011623800000000 ] - [ 0.0003690200000000, 0.0000000000000000, -0.0012276200000000 ] - [ 0.0004061200000000, 0.0000107200000000, -0.0011623800000000 ] - [ -0.0044199600000000, -0.0009969500000000, -0.0024245300000000 ] - [ -0.0007250800000000, 0.0000000000000000, -0.0016280000000000 ] - [ -0.0044199600000000, 0.0009969500000000, -0.0024245300000000 ] - [ 0.0141676300000000, 0.0145862800000000, 0.0009762300000000 ] - [ 0.0031067900000000, 0.0000000000000000, 0.0004673300000000 ] - [ 0.0141676300000000, -0.0145862800000000, 0.0009762300000000 ] - [ 0.0012394500000000, 0.0000548300000000, -0.0006983700000000 ] - [ -0.0003761400000000, 0.0000000000000000, -0.0011129200000000 ] - [ 0.0012394500000000, -0.0000548300000000, -0.0006983700000000 ] - [ 0.0025919500000000, -0.0004318100000000, 0.0008379700000000 ] - [ 0.0025696700000000, 0.0000000000000000, 0.0005112500000000 ] - [ 0.0025919500000000, 0.0004318100000000, 0.0008379700000000 ] - [ -0.0038266000000000, 0.0000293400000000, -0.0022649900000000 ] - [ -0.0000145000000000, 0.0000000000000000, -0.0017917600000000 ] - [ -0.0038266000000000, -0.0000293400000000, -0.0022649900000000 ] - [ 0.0029579800000000, 0.0005378800000000, 0.0002637500000000 ] - [ 0.0029593700000000, 0.0000000000000000, -0.0001380700000000 ] - [ 0.0029579800000000, -0.0005378800000000, 0.0002637500000000 ] - [ 0.0014320300000000, -0.0002578700000000, -0.0018137800000000 ] - [ -0.0001838800000000, 0.0000000000000000, -0.0014497300000000 ] - [ 0.0014320300000000, 0.0002578700000000, -0.0018137800000000 ] - [ 0.0014218000000000, -0.0000024600000000, -0.0001852300000000 ] - [ 0.0014213400000000, 0.0000000000000000, -0.0001782800000000 ] - [ 0.0014218000000000, 0.0000024600000000, -0.0001852300000000 ] - [ 0.0005020100000000, -0.0000174400000000, -0.0005093100000000 ] - [ 0.0004402800000000, 0.0000000000000000, -0.0004341000000000 ] - [ 0.0005020100000000, 0.0000174400000000, -0.0005093100000000 ] - [ 0.0024498700000000, -0.0003301500000000, -0.0004276800000000 ] - [ 0.0023485100000000, 0.0000000000000000, -0.0001852500000000 ] - [ 0.0024498700000000, 0.0003301500000000, -0.0004276800000000 ] - [ -0.0002042600000000, -0.0000455900000000, -0.0021036500000000 ] - [ -0.0001437100000000, 0.0000000000000000, -0.0020129600000000 ] - [ -0.0002042600000000, 0.0000455900000000, -0.0021036500000000 ] - [ 0.0156488300000000, -0.0134733200000000, 0.0006543000000000 ] - [ 0.0024113100000000, 0.0000000000000000, 0.0001726300000000 ] - [ 0.0156488300000000, 0.0134733200000000, 0.0006543000000000 ] - [ 0.0024058200000000, -0.0000012000000000, 0.0002535000000000 ] - [ 0.0024080400000000, 0.0000000000000000, 0.0002633000000000 ] - [ 0.0024058200000000, 0.0000012000000000, 0.0002535000000000 ] - [ 0.0045436600000000, 0.0000000000000000, -0.0034106100000000 ] - [ 0.0054449200000000, 0.0000206900000000, -0.0035391900000000 ] - [ 0.0054449200000000, -0.0000206900000000, -0.0035391900000000 ] - [ -0.0522781500000000, 0.0000000000000000, -0.0027642000000000 ] - [ 0.0055694200000000, 0.0014614400000000, -0.0032877300000000 ] - [ 0.0055694200000000, -0.0014614400000000, -0.0032877300000000 ] - [ 0.0049435800000000, 0.0000000000000000, -0.0025745500000000 ] - [ 0.0049544900000000, -0.0000109600000000, -0.0025777000000000 ] - [ 0.0049544900000000, 0.0000109600000000, -0.0025777000000000 ] - [ 0.0057901200000000, 0.0000000000000000, -0.0008018100000000 ] - [ 0.0068242600000000, -0.0001702200000000, -0.0007141300000000 ] - [ 0.0068242600000000, 0.0001702200000000, -0.0007141300000000 ] - [ 0.0064704800000000, 0.0000000000000000, -0.0043592000000000 ] - [ 0.0048580200000000, -0.0000853000000000, -0.0043259600000000 ] - [ 0.0048580200000000, 0.0000853000000000, -0.0043259600000000 ] - [ 0.0093869000000000, 0.0000000000000000, -0.0040758300000000 ] - [ 0.0077832300000000, -0.0005759900000000, -0.0040948500000000 ] - [ 0.0077832300000000, 0.0005759900000000, -0.0040948500000000 ] - [ 0.0085286300000000, 0.0000000000000000, 0.0044541600000000 ] - [ 0.0070305700000000, -0.0001042600000000, 0.0043609900000000 ] - [ 0.0070305700000000, 0.0001042600000000, 0.0043609900000000 ] - [ 0.0004365000000000, 0.0000000000000000, 0.0001127800000000 ] - [ 0.0004361000000000, 0.0000048100000000, 0.0001117100000000 ] - [ 0.0004361000000000, -0.0000048100000000, 0.0001117100000000 ] - [ -0.0003379400000000, 0.0000000000000000, 0.0001603200000000 ] - [ -0.0003385700000000, -0.0000156100000000, 0.0001475000000000 ] - [ -0.0003385700000000, 0.0000156100000000, 0.0001475000000000 ] - [ -0.0028778600000000, 0.0000000000000000, 0.0050090200000000 ] - [ -0.0005756900000000, -0.0006186200000000, 0.0006206600000000 ] - [ -0.0005756900000000, 0.0006186200000000, 0.0006206600000000 ] - [ -0.0000151000000000, 0.0000000000000000, -0.0000742800000000 ] - [ -0.0000031200000000, 0.0000423500000000, 0.0000100900000000 ] - [ -0.0000031200000000, -0.0000423500000000, 0.0000100900000000 ] - [ -0.0011167700000000, 0.0000000000000000, -0.0045586400000000 ] - [ -0.0002077900000000, 0.0006752300000000, -0.0005824100000000 ] - [ -0.0002077900000000, -0.0006752300000000, -0.0005824100000000 ] - [ 0.0005650600000000, 0.0000000000000000, -0.0039135900000000 ] - [ 0.0000499200000000, -0.0008041900000000, -0.0009020800000000 ] - [ 0.0000499200000000, 0.0008041900000000, -0.0009020800000000 ] - [ 0.0013100900000000, 0.0000000000000000, 0.0015033800000000 ] - [ -0.0002980200000000, 0.0007484800000000, 0.0004196300000000 ] - [ -0.0002980200000000, -0.0007484800000000, 0.0004196300000000 ] - [ -0.0105806700000000, 0.0001232900000000, -0.0030259400000000 ] - [ -0.0096523300000000, 0.0000000000000000, -0.0033403800000000 ] - [ -0.0105806700000000, -0.0001232900000000, -0.0030259400000000 ] - [ -0.0111751700000000, 0.0000126100000000, 0.0052094300000000 ] - [ -0.0111745000000000, 0.0000000000000000, 0.0051674900000000 ] - [ -0.0111751700000000, -0.0000126100000000, 0.0052094300000000 ] - [ -0.0034670200000000, 0.0000119300000000, 0.0085286600000000 ] - [ -0.0034714100000000, 0.0000000000000000, 0.0084805400000000 ] - [ -0.0034670200000000, -0.0000119300000000, 0.0085286600000000 ] - [ -0.0059700200000000, 0.0000058000000000, 0.0049620700000000 ] - [ -0.0059540400000000, 0.0000000000000000, 0.0049695400000000 ] - [ -0.0059700200000000, -0.0000058000000000, 0.0049620700000000 ] - [ -0.0070907600000000, 0.0000741900000000, 0.0054975200000000 ] - [ -0.0065341500000000, 0.0000000000000000, 0.0057508100000000 ] - [ -0.0070907600000000, -0.0000741900000000, 0.0054975200000000 ] - [ -0.0068401000000000, 0.0000787300000000, 0.0051852600000000 ] - [ -0.0073903000000000, 0.0000000000000000, 0.0049825700000000 ] - [ -0.0068401000000000, -0.0000787300000000, 0.0051852600000000 ] - [ -0.0067573100000000, 0.0000090800000000, 0.0036125200000000 ] - [ -0.0067702400000000, 0.0000000000000000, 0.0036395400000000 ] - [ -0.0067573100000000, -0.0000090800000000, 0.0036125200000000 ] - [ 0.0098778000000000, 0.0008803400000000, 0.0044449200000000 ] - [ -0.0065452800000000, 0.0000000000000000, 0.0044624900000000 ] - [ 0.0098778000000000, -0.0008803400000000, 0.0044449200000000 ] - [ -0.0078773100000000, 0.0001284300000000, 0.0026040500000000 ] - [ -0.0086057500000000, 0.0000000000000000, 0.0022724200000000 ] - [ -0.0078773100000000, -0.0001284300000000, 0.0026040500000000 ] - [ -0.0223780300000000, 0.0004059800000000, 0.0054888800000000 ] - [ -0.0074114800000000, 0.0000000000000000, 0.0051610100000000 ] - [ -0.0223780300000000, -0.0004059800000000, 0.0054888800000000 ]- atom: 82 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005335200000000, 0.0000000000000000, -0.0000682200000000 ] - [ -0.0005331900000000, -0.0000026400000000, -0.0000684200000000 ] - [ -0.0005331900000000, 0.0000026400000000, -0.0000684200000000 ] - [ -0.0001263700000000, 0.0000000000000000, 0.0001203100000000 ] - [ -0.0001295300000000, 0.0000086900000000, 0.0000964600000000 ] - [ -0.0001295300000000, -0.0000086900000000, 0.0000964600000000 ] - [ -0.0001636600000000, 0.0000000000000000, 0.0002288000000000 ] - [ -0.0001658300000000, -0.0000271400000000, 0.0002935400000000 ] - [ -0.0001658300000000, 0.0000271400000000, 0.0002935400000000 ] - [ 0.0044840800000000, 0.0000000000000000, -0.0036885200000000 ] - [ 0.0044954700000000, 0.0000119400000000, -0.0036869500000000 ] - [ 0.0044954700000000, -0.0000119400000000, -0.0036869500000000 ] - [ 0.0096371300000000, 0.0000000000000000, -0.0034398500000000 ] - [ 0.0096383400000000, 0.0000174100000000, -0.0034420900000000 ] - [ 0.0096383400000000, -0.0000174100000000, -0.0034420900000000 ] - [ 0.0013789300000000, 0.0000000000000000, -0.0072080400000000 ] - [ 0.0013774400000000, 0.0000179000000000, -0.0072103000000000 ] - [ 0.0013774400000000, -0.0000179000000000, -0.0072103000000000 ] - [ -0.0005689800000000, 0.0000242300000000, -0.0012181600000000 ] - [ -0.0006222100000000, 0.0000000000000000, -0.0012013600000000 ] - [ -0.0005689800000000, -0.0000242300000000, -0.0012181600000000 ] - [ 0.0019530300000000, 0.0000049100000000, 0.0002595400000000 ] - [ 0.0019559400000000, 0.0000000000000000, 0.0002693200000000 ] - [ 0.0019530300000000, -0.0000049100000000, 0.0002595400000000 ] - [ -0.0003209100000000, 0.0000036700000000, -0.0019705600000000 ] - [ -0.0003205800000000, 0.0000000000000000, -0.0019764100000000 ] - [ -0.0003209100000000, -0.0000036700000000, -0.0019705600000000 ] - [ 0.0019629400000000, 0.0000009500000000, 0.0000585800000000 ] - [ 0.0019566300000000, 0.0000000000000000, 0.0000523600000000 ] - [ 0.0019629400000000, -0.0000009500000000, 0.0000585800000000 ] - [ -0.0000459700000000, 0.0000033900000000, -0.0013025000000000 ] - [ -0.0000435500000000, 0.0000000000000000, -0.0013132500000000 ] - [ -0.0000459700000000, -0.0000033900000000, -0.0013025000000000 ] - [ 0.0022372400000000, -0.0003646300000000, 0.0002749000000000 ] - [ 0.0022265200000000, 0.0000000000000000, 0.0000275200000000 ] - [ 0.0022372400000000, 0.0003646300000000, 0.0002749000000000 ] - [ 0.0002795400000000, 0.0000129000000000, -0.0013110200000000 ] - [ 0.0003174400000000, 0.0000000000000000, -0.0012407100000000 ] - [ 0.0002795400000000, -0.0000129000000000, -0.0013110200000000 ] - [ 0.0034267700000000, 0.0009309000000000, -0.0015805100000000 ] - [ -0.0002846300000000, 0.0000000000000000, -0.0022823500000000 ] - [ 0.0034267700000000, -0.0009309000000000, -0.0015805100000000 ] - [ -0.0091374200000000, -0.0143672800000000, 0.0001068000000000 ] - [ 0.0018253900000000, 0.0000000000000000, 0.0006104500000000 ] - [ -0.0091374200000000, 0.0143672800000000, 0.0001068000000000 ] - [ -0.0021959400000000, -0.0000443100000000, -0.0016328900000000 ] - [ -0.0005805900000000, 0.0000000000000000, -0.0012071900000000 ] - [ -0.0021959400000000, 0.0000443100000000, -0.0016328900000000 ] - [ 0.0026309500000000, 0.0004403400000000, 0.0000416100000000 ] - [ 0.0026456200000000, 0.0000000000000000, 0.0003732900000000 ] - [ 0.0026309500000000, -0.0004403400000000, 0.0000416100000000 ] - [ 0.0040908900000000, -0.0000942100000000, -0.0006463000000000 ] - [ 0.0002781000000000, 0.0000000000000000, -0.0012090200000000 ] - [ 0.0040908900000000, 0.0000942100000000, -0.0006463000000000 ] - [ 0.0028945500000000, -0.0005277300000000, -0.0009592700000000 ] - [ 0.0029036800000000, 0.0000000000000000, -0.0005628300000000 ] - [ 0.0028945500000000, 0.0005277300000000, -0.0009592700000000 ] - [ -0.0019991600000000, 0.0002710200000000, -0.0010032100000000 ] - [ -0.0003794700000000, 0.0000000000000000, -0.0013766200000000 ] - [ -0.0019991600000000, -0.0002710200000000, -0.0010032100000000 ] - [ 0.0014065600000000, 0.0000027200000000, -0.0001790600000000 ] - [ 0.0014072500000000, 0.0000000000000000, -0.0001867900000000 ] - [ 0.0014065600000000, -0.0000027200000000, -0.0001790600000000 ] - [ 0.0003334300000000, 0.0000196800000000, -0.0003903800000000 ] - [ 0.0003960900000000, 0.0000000000000000, -0.0004739400000000 ] - [ 0.0003334300000000, -0.0000196800000000, -0.0003903800000000 ] - [ 0.0022599200000000, 0.0003390600000000, 0.0000992800000000 ] - [ 0.0023549300000000, 0.0000000000000000, -0.0001473300000000 ] - [ 0.0022599200000000, -0.0003390600000000, 0.0000992800000000 ] - [ -0.0000470000000000, 0.0000462700000000, -0.0020268000000000 ] - [ -0.0001075100000000, 0.0000000000000000, -0.0021189200000000 ] - [ -0.0000470000000000, -0.0000462700000000, -0.0020268000000000 ] - [ -0.0108493400000000, 0.0136637300000000, -0.0002894900000000 ] - [ 0.0024876700000000, 0.0000000000000000, 0.0001993800000000 ] - [ -0.0108493400000000, -0.0136637300000000, -0.0002894900000000 ] - [ 0.0024225300000000, 0.0000016700000000, 0.0002702300000000 ] - [ 0.0024199200000000, 0.0000000000000000, 0.0002594900000000 ] - [ 0.0024225300000000, -0.0000016700000000, 0.0002702300000000 ] - [ 0.0065136500000000, 0.0000000000000000, -0.0035231000000000 ] - [ 0.0056096600000000, -0.0000269100000000, -0.0033843600000000 ] - [ 0.0056096600000000, 0.0000269100000000, -0.0033843600000000 ] - [ 0.0617030600000000, 0.0000000000000000, -0.0042653700000000 ] - [ 0.0037436200000000, -0.0015851500000000, -0.0035328100000000 ] - [ 0.0037436200000000, 0.0015851500000000, -0.0035328100000000 ] - [ 0.0049497100000000, 0.0000000000000000, -0.0025857900000000 ] - [ 0.0049386900000000, 0.0000126100000000, -0.0025822200000000 ] - [ 0.0049386900000000, -0.0000126100000000, -0.0025822200000000 ] - [ 0.0080582000000000, 0.0000000000000000, -0.0005440300000000 ] - [ 0.0070202300000000, 0.0001635200000000, -0.0006429100000000 ] - [ 0.0070202300000000, -0.0001635200000000, -0.0006429100000000 ] - [ 0.0029677100000000, 0.0000000000000000, -0.0043312400000000 ] - [ 0.0045801400000000, 0.0000933800000000, -0.0043443400000000 ] - [ 0.0045801400000000, -0.0000933800000000, -0.0043443400000000 ] - [ 0.0010238300000000, 0.0000000000000000, -0.0039274500000000 ] - [ 0.0026251900000000, 0.0006293600000000, -0.0039029800000000 ] - [ 0.0026251900000000, -0.0006293600000000, -0.0039029800000000 ] - [ 0.0052242400000000, 0.0000000000000000, 0.0043029200000000 ] - [ 0.0067224000000000, 0.0001151300000000, 0.0043737000000000 ] - [ 0.0067224000000000, -0.0001151300000000, 0.0043737000000000 ] - [ 0.0004255600000000, 0.0000000000000000, 0.0001022000000000 ] - [ 0.0004253300000000, -0.0000054200000000, 0.0001040400000000 ] - [ 0.0004253300000000, 0.0000054200000000, 0.0001040400000000 ] - [ -0.0002648100000000, 0.0000000000000000, 0.0000213400000000 ] - [ -0.0002636100000000, 0.0000151000000000, 0.0000295600000000 ] - [ -0.0002636100000000, -0.0000151000000000, 0.0000295600000000 ] - [ 0.0022001000000000, 0.0000000000000000, -0.0054203400000000 ] - [ -0.0001957800000000, 0.0006139700000000, -0.0009580900000000 ] - [ -0.0001957800000000, -0.0006139700000000, -0.0009580900000000 ] - [ -0.0000604800000000, 0.0000000000000000, 0.0001753900000000 ] - [ -0.0000723000000000, -0.0000445500000000, 0.0000870600000000 ] - [ -0.0000723000000000, 0.0000445500000000, 0.0000870600000000 ] - [ -0.0001936300000000, 0.0000000000000000, 0.0045191300000000 ] - [ -0.0009765700000000, -0.0006791600000000, 0.0006614800000000 ] - [ -0.0009765700000000, 0.0006791600000000, 0.0006614800000000 ] - [ -0.0001801600000000, 0.0000000000000000, 0.0041442800000000 ] - [ 0.0001501900000000, 0.0007974700000000, 0.0009594300000000 ] - [ 0.0001501900000000, -0.0007974700000000, 0.0009594300000000 ] - [ -0.0027717900000000, 0.0000000000000000, -0.0015925300000000 ] - [ -0.0009401200000000, -0.0007529700000000, -0.0007444600000000 ] - [ -0.0009401200000000, 0.0007529700000000, -0.0007444600000000 ] - [ -0.0082888800000000, -0.0001521400000000, -0.0036162700000000 ] - [ -0.0092209600000000, 0.0000000000000000, -0.0032791100000000 ] - [ -0.0082888800000000, 0.0001521400000000, -0.0036162700000000 ] - [ -0.0111884300000000, -0.0000145100000000, 0.0051644900000000 ] - [ -0.0111888800000000, 0.0000000000000000, 0.0052086300000000 ] - [ -0.0111884300000000, 0.0000145100000000, 0.0051644900000000 ] - [ -0.0034594400000000, -0.0000136100000000, 0.0084492100000000 ] - [ -0.0034546300000000, 0.0000000000000000, 0.0085038700000000 ] - [ -0.0034594400000000, 0.0000136100000000, 0.0084492100000000 ] - [ -0.0059702000000000, -0.0000087400000000, 0.0048667900000000 ] - [ -0.0059810800000000, 0.0000000000000000, 0.0048590600000000 ] - [ -0.0059702000000000, 0.0000087400000000, 0.0048667900000000 ] - [ -0.0056990100000000, -0.0000943400000000, 0.0060550800000000 ] - [ -0.0062549700000000, 0.0000000000000000, 0.0057776700000000 ] - [ -0.0056990100000000, 0.0000943400000000, 0.0060550800000000 ] - [ -0.0082024500000000, -0.0000863300000000, 0.0043151200000000 ] - [ -0.0076544700000000, 0.0000000000000000, 0.0045528800000000 ] - [ -0.0082024500000000, 0.0000863300000000, 0.0043151200000000 ] - [ -0.0067546800000000, -0.0000077000000000, 0.0036682100000000 ] - [ -0.0067435700000000, 0.0000000000000000, 0.0036369400000000 ] - [ -0.0067546800000000, 0.0000077000000000, 0.0036682100000000 ] - [ -0.0238185100000000, -0.0010945600000000, 0.0045296000000000 ] - [ -0.0073684500000000, 0.0000000000000000, 0.0044965600000000 ] - [ -0.0238185100000000, 0.0010945600000000, 0.0045296000000000 ] - [ -0.0096371700000000, -0.0001399400000000, 0.0024533100000000 ] - [ -0.0089152400000000, 0.0000000000000000, 0.0027514900000000 ] - [ -0.0096371700000000, 0.0001399400000000, 0.0024533100000000 ] - [ 0.0083707800000000, -0.0004627500000000, 0.0048226600000000 ] - [ -0.0065969700000000, 0.0000000000000000, 0.0051484500000000 ] - [ 0.0083707800000000, 0.0004627500000000, 0.0048226600000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005355500000000, 0.0002137400000000, -0.0000650100000000 ] - [ -0.0005414500000000, -0.0001065300000000, -0.0000611800000000 ] - [ -0.0005296500000000, -0.0001073100000000, -0.0000694700000000 ] - [ -0.0001339900000000, 0.0006362300000000, 0.0000619700000000 ] - [ -0.0002384700000000, -0.0003132000000000, -0.0002311500000000 ] - [ -0.0000285900000000, -0.0003167000000000, 0.0003480000000000 ] - [ -0.0001549200000000, 0.0005909400000000, 0.0003138200000000 ] - [ -0.0000641200000000, -0.0002893100000000, 0.0000092400000000 ] - [ -0.0002457500000000, -0.0002927400000000, 0.0006115300000000 ] - [ 0.0044864900000000, -0.0010778500000000, -0.0037010100000000 ] - [ 0.0045058700000000, 0.0005860600000000, -0.0038690700000000 ] - [ 0.0044680200000000, 0.0005884200000000, -0.0035344900000000 ] - [ 0.0096361200000000, -0.0011370800000000, -0.0034458600000000 ] - [ 0.0096483600000000, 0.0006047000000000, -0.0033579100000000 ] - [ 0.0096240800000000, 0.0006097700000000, -0.0035329000000000 ] - [ 0.0013793500000000, -0.0009770100000000, -0.0072167100000000 ] - [ 0.0013872700000000, 0.0004866200000000, -0.0071431600000000 ] - [ 0.0013708900000000, 0.0004919100000000, -0.0072888400000000 ] - [ -0.0007911500000000, -0.0004250200000000, -0.0045665300000000 ] - [ -0.0006469400000000, 0.0012971000000000, -0.0013136200000000 ] - [ -0.0005033700000000, -0.0004227600000000, 0.0019435500000000 ] - [ 0.0020592000000000, -0.0001247300000000, 0.0000106900000000 ] - [ 0.0019713000000000, 0.0002489900000000, 0.0002554400000000 ] - [ 0.0018869100000000, -0.0001236800000000, 0.0005015100000000 ] - [ -0.0002738700000000, -0.0001026900000000, -0.0019147700000000 ] - [ -0.0003189100000000, 0.0002050200000000, -0.0019808600000000 ] - [ -0.0003643300000000, -0.0001017200000000, -0.0020491000000000 ] - [ 0.0018680700000000, -0.0001573100000000, -0.0002264400000000 ] - [ 0.0019460200000000, 0.0003044400000000, 0.0000534900000000 ] - [ 0.0020227300000000, -0.0001555900000000, 0.0003353500000000 ] - [ -0.0002020000000000, -0.0000894900000000, -0.0012422000000000 ] - [ -0.0000504900000000, 0.0002887300000000, -0.0013307500000000 ] - [ 0.0001007900000000, -0.0000891000000000, -0.0014230200000000 ] - [ 0.0038910400000000, -0.0008044200000000, -0.0021120800000000 ] - [ 0.0022846500000000, 0.0015702500000000, -0.0000966600000000 ] - [ 0.0006904300000000, -0.0007839600000000, 0.0019323600000000 ] - [ 0.0003431600000000, -0.0002934800000000, -0.0028997900000000 ] - [ 0.0003437000000000, 0.0005870900000000, -0.0012390700000000 ] - [ 0.0003456600000000, -0.0002877700000000, 0.0004404100000000 ] - [ -0.0024737500000000, 0.0106531900000000, 0.0261442000000000 ] - [ -0.0005077700000000, 0.0046538900000000, -0.0019120400000000 ] - [ 0.0014425300000000, 0.0107176600000000, -0.0297903800000000 ] - [ 0.0288845000000000, 0.0110703000000000, 0.0023855100000000 ] - [ 0.0025108800000000, 0.0052575700000000, 0.0005433400000000 ] - [ -0.0235518700000000, 0.0111342500000000, -0.0012827100000000 ] - [ -0.0002526800000000, -0.0012187800000000, -0.0056748100000000 ] - [ -0.0004768000000000, 0.0023570100000000, -0.0011654100000000 ] - [ -0.0006966300000000, -0.0011853000000000, 0.0033552000000000 ] - [ 0.0011533900000000, -0.0007728700000000, -0.0013978300000000 ] - [ 0.0026010900000000, 0.0014801700000000, 0.0004382100000000 ] - [ 0.0040464400000000, -0.0007514000000000, 0.0022891600000000 ] - [ -0.0003495300000000, 0.0113128100000000, -0.0311055700000000 ] - [ 0.0001308200000000, 0.0044162300000000, -0.0015409500000000 ] - [ 0.0006071200000000, 0.0113710600000000, 0.0277228700000000 ] - [ 0.0047252700000000, -0.0008462500000000, 0.0012007200000000 ] - [ 0.0029404000000000, 0.0017561900000000, -0.0003459500000000 ] - [ 0.0011588100000000, -0.0008193100000000, -0.0019148100000000 ] - [ 0.0001015500000000, -0.0011653900000000, 0.0025815700000000 ] - [ -0.0002810400000000, 0.0022307000000000, -0.0014023600000000 ] - [ -0.0006534500000000, -0.0011272400000000, -0.0054007000000000 ] - [ 0.0015383200000000, -0.0000759600000000, 0.0000511100000000 ] - [ 0.0014164400000000, 0.0001472100000000, -0.0001823800000000 ] - [ 0.0012946200000000, -0.0000751500000000, -0.0004184500000000 ] - [ 0.0004278500000000, -0.0002168800000000, 0.0013057200000000 ] - [ 0.0004184300000000, 0.0004277100000000, -0.0004530500000000 ] - [ 0.0004097100000000, -0.0002113200000000, -0.0022345600000000 ] - [ 0.0011935000000000, -0.0006501700000000, 0.0013507600000000 ] - [ 0.0023456400000000, 0.0012027900000000, -0.0001624600000000 ] - [ 0.0034994700000000, -0.0006313800000000, -0.0016897900000000 ] - [ -0.0001154300000000, -0.0002906100000000, 0.0008903600000000 ] - [ -0.0001250700000000, 0.0010601700000000, -0.0020562100000000 ] - [ -0.0001347500000000, -0.0002879400000000, -0.0050195100000000 ] - [ -0.0214276000000000, 0.0096548200000000, -0.0000679800000000 ] - [ 0.0024110500000000, 0.0052944300000000, 0.0001873600000000 ] - [ 0.0261285400000000, 0.0097238700000000, 0.0004411000000000 ] - [ 0.0023091000000000, -0.0000976700000000, 0.0005197100000000 ] - [ 0.0024125500000000, 0.0001899700000000, 0.0002610700000000 ] - [ 0.0025159400000000, -0.0000966100000000, -0.0000006600000000 ] - [ 0.0055238700000000, -0.0083635200000000, -0.0034660000000000 ] - [ 0.0055622300000000, 0.0048094400000000, -0.0062265600000000 ] - [ 0.0054899600000000, 0.0048105200000000, -0.0007297900000000 ] - [ 0.0044654000000000, -0.1969804700000000, -0.0032283700000000 ] - [ 0.0031172400000000, 0.0397127700000000, -0.0021802000000000 ] - [ 0.0061640000000000, 0.0393010400000000, -0.0046111600000000 ] - [ 0.0049470200000000, -0.0009007100000000, -0.0025796800000000 ] - [ 0.0049674200000000, 0.0004513500000000, -0.0027221500000000 ] - [ 0.0049264800000000, 0.0004543600000000, -0.0024389800000000 ] - [ 0.0069208300000000, -0.0093964600000000, -0.0006828500000000 ] - [ 0.0071332200000000, 0.0054190400000000, 0.0017237500000000 ] - [ 0.0067127600000000, 0.0054405900000000, -0.0030586000000000 ] - [ 0.0047196400000000, -0.0034763100000000, -0.0043102500000000 ] - [ 0.0048145800000000, 0.0017156300000000, -0.0051512300000000 ] - [ 0.0046264000000000, 0.0017353900000000, -0.0035209200000000 ] - [ 0.0052149000000000, -0.0152842000000000, -0.0039938800000000 ] - [ 0.0059159600000000, 0.0087889200000000, -0.0040618500000000 ] - [ 0.0045098500000000, 0.0088107400000000, -0.0039333800000000 ] - [ 0.0068763700000000, -0.0037975100000000, 0.0043455100000000 ] - [ 0.0069683700000000, 0.0018654200000000, 0.0050010500000000 ] - [ 0.0067871500000000, 0.0018931400000000, 0.0037355500000000 ] - [ 0.0004321400000000, 0.0004692200000000, 0.0001092600000000 ] - [ 0.0004462000000000, -0.0002353100000000, 0.0001160300000000 ] - [ 0.0004172300000000, -0.0002369600000000, 0.0001030700000000 ] - [ -0.0003062600000000, 0.0013718300000000, 0.0000855900000000 ] - [ -0.0005076700000000, -0.0006807500000000, 0.0007074900000000 ] - [ -0.0001019500000000, -0.0006866800000000, -0.0005263500000000 ] - [ -0.0003052600000000, 0.0108258400000000, -0.0002654700000000 ] - [ -0.0026883100000000, -0.0042461700000000, 0.0028179100000000 ] - [ 0.0018713800000000, -0.0042550300000000, -0.0031331900000000 ] - [ -0.0000326600000000, 0.0012516200000000, 0.0000437900000000 ] - [ 0.0001833900000000, -0.0006175900000000, 0.0006868800000000 ] - [ -0.0002512400000000, -0.0006223100000000, -0.0005868400000000 ] - [ -0.0006688700000000, 0.0108658000000000, -0.0000727700000000 ] - [ 0.0016898900000000, -0.0039461100000000, 0.0026554800000000 ] - [ -0.0028271500000000, -0.0039628300000000, -0.0025607300000000 ] - [ 0.0001877600000000, 0.0117051500000000, 0.0001198000000000 ] - [ -0.0017240700000000, -0.0041715000000000, -0.0032963200000000 ] - [ 0.0018872900000000, -0.0041875600000000, 0.0033187200000000 ] - [ -0.0007072300000000, 0.0112043600000000, -0.0000639000000000 ] - [ 0.0015174000000000, -0.0037107200000000, -0.0025671700000000 ] - [ -0.0027126900000000, -0.0037355000000000, 0.0022182800000000 ] - [ -0.0093537400000000, 0.0019222600000000, -0.0073041400000000 ] - [ -0.0094373700000000, -0.0037741500000000, -0.0033198200000000 ] - [ -0.0095244800000000, 0.0018584800000000, 0.0007117500000000 ] - [ -0.0109907000000000, 0.0004307500000000, 0.0036575500000000 ] - [ -0.0111811600000000, -0.0010126800000000, 0.0051856400000000 ] - [ -0.0113734500000000, 0.0004272100000000, 0.0067281900000000 ] - [ -0.0036227500000000, 0.0004303200000000, 0.0073972200000000 ] - [ -0.0034629500000000, -0.0008565900000000, 0.0084940800000000 ] - [ -0.0033010000000000, 0.0004252200000000, 0.0096067700000000 ] - [ -0.0058492800000000, 0.0003916700000000, 0.0061478500000000 ] - [ -0.0059682700000000, -0.0009214500000000, 0.0049243700000000 ] - [ -0.0060914600000000, 0.0003904000000000, 0.0036956400000000 ] - [ -0.0064121100000000, 0.0016661800000000, 0.0095472700000000 ] - [ -0.0063955000000000, -0.0032764500000000, 0.0057723200000000 ] - [ -0.0063863500000000, 0.0016189800000000, 0.0019681900000000 ] - [ -0.0075943800000000, 0.0032169100000000, 0.0209225200000000 ] - [ -0.0075230900000000, -0.0070415400000000, 0.0048021700000000 ] - [ -0.0074546200000000, 0.0031861900000000, -0.0112934300000000 ] - [ -0.0067972700000000, 0.0003936100000000, 0.0045120700000000 ] - [ -0.0067572900000000, -0.0007866400000000, 0.0036433700000000 ] - [ -0.0067148700000000, 0.0003880800000000, 0.0027677300000000 ] - [ -0.0033633700000000, 0.0163735300000000, 0.0021847100000000 ] - [ -0.0069570400000000, -0.0305781700000000, 0.0044751200000000 ] - [ -0.0104591300000000, 0.0113269800000000, 0.0066799300000000 ] - [ -0.0104034500000000, 0.0035541600000000, -0.0129733200000000 ] - [ -0.0087642000000000, -0.0078488200000000, 0.0024786100000000 ] - [ -0.0071297000000000, 0.0035094200000000, 0.0179674100000000 ] - [ -0.0069389100000000, 0.0057825400000000, 0.0056316600000000 ] - [ -0.0070052000000000, -0.0126450600000000, 0.0051497100000000 ] - [ -0.0071640400000000, 0.0057183400000000, 0.0046641600000000 ]- atom: 82 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005315800000000, 0.0000000000000000, -0.0005003000000000 ] - [ -0.0005330400000000, -0.0000038300000000, -0.0004624500000000 ] - [ -0.0005330400000000, 0.0000038300000000, -0.0004624500000000 ] - [ -0.0002433100000000, 0.0000000000000000, -0.0005272500000000 ] - [ -0.0002606500000000, -0.0001440900000000, -0.0002887100000000 ] - [ -0.0002606500000000, 0.0001440900000000, -0.0002887100000000 ] - [ -0.0000664700000000, 0.0000000000000000, -0.0003173800000000 ] - [ -0.0000435400000000, -0.0001316300000000, -0.0000819800000000 ] - [ -0.0000435400000000, 0.0001316300000000, -0.0000819800000000 ] - [ 0.0045508300000000, 0.0000000000000000, -0.0029269400000000 ] - [ 0.0045552400000000, -0.0001345800000000, -0.0030152700000000 ] - [ 0.0045552400000000, 0.0001345800000000, -0.0030152700000000 ] - [ 0.0095321900000000, 0.0000000000000000, -0.0027646600000000 ] - [ 0.0095306800000000, 0.0001814000000000, -0.0028166200000000 ] - [ 0.0095306800000000, -0.0001814000000000, -0.0028166200000000 ] - [ 0.0014573100000000, 0.0000000000000000, -0.0066595400000000 ] - [ 0.0014502900000000, 0.0001749700000000, -0.0067225100000000 ] - [ 0.0014502900000000, -0.0001749700000000, -0.0067225100000000 ] - [ -0.0006353300000000, -0.0003079100000000, 0.0011872400000000 ] - [ -0.0006751300000000, 0.0000000000000000, 0.0000913000000000 ] - [ -0.0006353300000000, 0.0003079100000000, 0.0011872400000000 ] - [ 0.0019365900000000, -0.0000426800000000, 0.0008305000000000 ] - [ 0.0019410900000000, 0.0000000000000000, 0.0006919400000000 ] - [ 0.0019365900000000, 0.0000426800000000, 0.0008305000000000 ] - [ -0.0002765500000000, 0.0000038100000000, 0.0000236400000000 ] - [ -0.0002859800000000, 0.0000000000000000, -0.0003102100000000 ] - [ -0.0002765500000000, -0.0000038100000000, 0.0000236400000000 ] - [ 0.0020655100000000, -0.0000519300000000, 0.0007593500000000 ] - [ 0.0020456500000000, 0.0000000000000000, 0.0006005600000000 ] - [ 0.0020655100000000, 0.0000519300000000, 0.0007593500000000 ] - [ -0.0000295300000000, 0.0000089000000000, 0.0009254300000000 ] - [ -0.0000342000000000, 0.0000000000000000, 0.0005496700000000 ] - [ -0.0000295300000000, -0.0000089000000000, 0.0009254300000000 ] - [ 0.0013375700000000, -0.0006079400000000, 0.0005617400000000 ] - [ 0.0019084200000000, 0.0000000000000000, -0.0001998400000000 ] - [ 0.0013375700000000, 0.0006079400000000, 0.0005617400000000 ] - [ 0.0002939600000000, -0.0001941100000000, 0.0002485500000000 ] - [ 0.0002935300000000, 0.0000000000000000, -0.0004284100000000 ] - [ 0.0002939600000000, 0.0001941100000000, 0.0002485500000000 ] - [ -0.0011908600000000, 0.0146430400000000, 0.0073434200000000 ] - [ -0.0004206800000000, 0.0000000000000000, -0.0044649100000000 ] - [ -0.0011908600000000, -0.0146430400000000, 0.0073434200000000 ] - [ 0.0022409300000000, 0.0003961400000000, -0.0045589600000000 ] - [ 0.0023206900000000, 0.0000000000000000, -0.0004474100000000 ] - [ 0.0022409300000000, -0.0003961400000000, -0.0045589600000000 ] - [ -0.0006448900000000, -0.0008217900000000, -0.0036292300000000 ] - [ -0.0005634000000000, 0.0000000000000000, -0.0027318200000000 ] - [ -0.0006448900000000, 0.0008217900000000, -0.0036292300000000 ] - [ 0.0035500300000000, -0.0006552000000000, 0.0011289500000000 ] - [ 0.0029222000000000, 0.0000000000000000, 0.0003661700000000 ] - [ 0.0035500300000000, 0.0006552000000000, 0.0011289500000000 ] - [ -0.0001119200000000, -0.0147606900000000, 0.0068747900000000 ] - [ 0.0000686000000000, 0.0000000000000000, -0.0033487600000000 ] - [ -0.0001119200000000, 0.0147606900000000, 0.0068747900000000 ] - [ 0.0042123300000000, 0.0008723900000000, 0.0002963600000000 ] - [ 0.0034376700000000, 0.0000000000000000, -0.0006033800000000 ] - [ 0.0042123300000000, -0.0008723900000000, 0.0002963600000000 ] - [ -0.0004789800000000, 0.0011016500000000, -0.0038866200000000 ] - [ -0.0003814100000000, 0.0000000000000000, -0.0031156700000000 ] - [ -0.0004789800000000, -0.0011016500000000, -0.0038866200000000 ] - [ 0.0016115000000000, 0.0000223000000000, 0.0004090900000000 ] - [ 0.0015818700000000, 0.0000000000000000, 0.0002538000000000 ] - [ 0.0016115000000000, -0.0000223000000000, 0.0004090900000000 ] - [ 0.0005464000000000, 0.0001824200000000, 0.0014634500000000 ] - [ 0.0005086700000000, 0.0000000000000000, 0.0005916100000000 ] - [ 0.0005464000000000, -0.0001824200000000, 0.0014634500000000 ] - [ 0.0013238500000000, 0.0005791200000000, 0.0004060800000000 ] - [ 0.0019283800000000, 0.0000000000000000, -0.0002513100000000 ] - [ 0.0013238500000000, -0.0005791200000000, 0.0004060800000000 ] - [ -0.0001310000000000, 0.0003550900000000, 0.0009979400000000 ] - [ -0.0001302800000000, 0.0000000000000000, -0.0002075100000000 ] - [ -0.0001310000000000, -0.0003550900000000, 0.0009979400000000 ] - [ 0.0034492800000000, -0.0005229100000000, -0.0045221200000000 ] - [ 0.0025474500000000, 0.0000000000000000, -0.0008325800000000 ] - [ 0.0034492800000000, 0.0005229100000000, -0.0045221200000000 ] - [ 0.0022521600000000, 0.0000330400000000, 0.0008956800000000 ] - [ 0.0022756900000000, 0.0000000000000000, 0.0007230400000000 ] - [ 0.0022521600000000, -0.0000330400000000, 0.0008956800000000 ] - [ 0.0054575500000000, 0.0000000000000000, -0.0015604900000000 ] - [ 0.0056271100000000, -0.0022529600000000, -0.0023003000000000 ] - [ 0.0056271100000000, 0.0022529600000000, -0.0023003000000000 ] - [ 0.0055496600000000, 0.0000000000000000, -0.0632495100000000 ] - [ 0.0047759200000000, -0.0012760500000000, -0.0036818700000000 ] - [ 0.0047759200000000, 0.0012760500000000, -0.0036818700000000 ] - [ 0.0048769600000000, 0.0000000000000000, -0.0019447200000000 ] - [ 0.0048889600000000, -0.0001266300000000, -0.0020340300000000 ] - [ 0.0048889600000000, 0.0001266300000000, -0.0020340300000000 ] - [ 0.0071058600000000, 0.0000000000000000, 0.0013670200000000 ] - [ 0.0069732300000000, 0.0030296400000000, 0.0005146100000000 ] - [ 0.0069732300000000, -0.0030296400000000, 0.0005146100000000 ] - [ 0.0047392200000000, 0.0000000000000000, -0.0028186300000000 ] - [ 0.0047196500000000, -0.0006719200000000, -0.0043869100000000 ] - [ 0.0047196500000000, 0.0006719200000000, -0.0043869100000000 ] - [ 0.0052617200000000, 0.0000000000000000, -0.0069340600000000 ] - [ 0.0052711500000000, -0.0000541400000000, -0.0050241600000000 ] - [ 0.0052711500000000, 0.0000541400000000, -0.0050241600000000 ] - [ 0.0069780100000000, 0.0000000000000000, 0.0057761100000000 ] - [ 0.0068944400000000, 0.0009623200000000, 0.0042685300000000 ] - [ 0.0068944400000000, -0.0009623200000000, 0.0042685300000000 ] - [ 0.0004258900000000, 0.0000000000000000, -0.0007487200000000 ] - [ 0.0004290100000000, -0.0000049800000000, -0.0006702800000000 ] - [ 0.0004290100000000, 0.0000049800000000, -0.0006702800000000 ] - [ -0.0000937000000000, 0.0000000000000000, -0.0009809200000000 ] - [ -0.0000763000000000, 0.0002535700000000, -0.0005786200000000 ] - [ -0.0000763000000000, -0.0002535700000000, -0.0005786200000000 ] - [ 0.0050763600000000, 0.0000000000000000, -0.0008523300000000 ] - [ 0.0005668600000000, 0.0009267900000000, 0.0008505500000000 ] - [ 0.0005668600000000, -0.0009267900000000, 0.0008505500000000 ] - [ -0.0002501300000000, 0.0000000000000000, -0.0010857000000000 ] - [ -0.0002625400000000, 0.0002328700000000, -0.0006539000000000 ] - [ -0.0002625400000000, -0.0002328700000000, -0.0006539000000000 ] - [ -0.0050264000000000, 0.0000000000000000, 0.0004371700000000 ] - [ -0.0015752000000000, 0.0010129200000000, 0.0010310700000000 ] - [ -0.0015752000000000, -0.0010129200000000, 0.0010310700000000 ] - [ -0.0028553500000000, 0.0000000000000000, 0.0020219000000000 ] - [ -0.0006606600000000, -0.0009202700000000, 0.0016385100000000 ] - [ -0.0006606600000000, 0.0009202700000000, 0.0016385100000000 ] - [ 0.0015914700000000, 0.0000000000000000, 0.0040983200000000 ] - [ 0.0003515000000000, -0.0011307400000000, 0.0014020900000000 ] - [ 0.0003515000000000, 0.0011307400000000, 0.0014020900000000 ] - [ -0.0094774800000000, -0.0021303900000000, -0.0038027200000000 ] - [ -0.0094425900000000, 0.0000000000000000, -0.0029579900000000 ] - [ -0.0094774800000000, 0.0021303900000000, -0.0038027200000000 ] - [ -0.0108494100000000, -0.0001569400000000, 0.0016427600000000 ] - [ -0.0109311200000000, 0.0000000000000000, 0.0024813900000000 ] - [ -0.0108494100000000, 0.0001569400000000, 0.0016427600000000 ] - [ -0.0038228600000000, -0.0001551200000000, 0.0056517200000000 ] - [ -0.0037189500000000, 0.0000000000000000, 0.0064399800000000 ] - [ -0.0038228600000000, 0.0001551200000000, 0.0056517200000000 ] - [ -0.0062342500000000, 0.0001179200000000, 0.0022623100000000 ] - [ -0.0061719800000000, 0.0000000000000000, 0.0028510100000000 ] - [ -0.0062342500000000, -0.0001179200000000, 0.0022623100000000 ] - [ -0.0065448100000000, 0.0015390000000000, 0.0056421800000000 ] - [ -0.0064172800000000, 0.0000000000000000, 0.0060333600000000 ] - [ -0.0065448100000000, -0.0015390000000000, 0.0056421800000000 ] - [ -0.0073460200000000, 0.0016154600000000, -0.0019509000000000 ] - [ -0.0074151500000000, 0.0000000000000000, 0.0048910000000000 ] - [ -0.0073460200000000, -0.0016154600000000, -0.0019509000000000 ] - [ -0.0066305000000000, 0.0001184100000000, 0.0013948800000000 ] - [ -0.0066608700000000, 0.0000000000000000, 0.0019634800000000 ] - [ -0.0066305000000000, -0.0001184100000000, 0.0013948800000000 ] - [ -0.0068128500000000, -0.0006863900000000, 0.0258527600000000 ] - [ -0.0070227800000000, 0.0000000000000000, 0.0082246100000000 ] - [ -0.0068128500000000, 0.0006863900000000, 0.0258527600000000 ] - [ -0.0096457900000000, -0.0023030000000000, -0.0051432000000000 ] - [ -0.0089249400000000, 0.0000000000000000, 0.0028609500000000 ] - [ -0.0096457900000000, 0.0023030000000000, -0.0051432000000000 ] - [ -0.0071864000000000, -0.0001945400000000, 0.0100334700000000 ] - [ -0.0069048600000000, 0.0000000000000000, 0.0078040300000000 ] - [ -0.0071864000000000, 0.0001945400000000, 0.0100334700000000 ]- atom: 82 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005388400000000, 0.0000000000000000, 0.0003684200000000 ] - [ -0.0005376700000000, 0.0000035400000000, 0.0003296200000000 ] - [ -0.0005376700000000, -0.0000035400000000, 0.0003296200000000 ] - [ -0.0000218200000000, 0.0000000000000000, 0.0006417300000000 ] - [ -0.0000053900000000, 0.0001428100000000, 0.0004057500000000 ] - [ -0.0000053900000000, -0.0001428100000000, 0.0004057500000000 ] - [ -0.0002455800000000, 0.0000000000000000, 0.0009361500000000 ] - [ -0.0002670600000000, 0.0001305000000000, 0.0007030300000000 ] - [ -0.0002670600000000, -0.0001305000000000, 0.0007030300000000 ] - [ 0.0044228800000000, 0.0000000000000000, -0.0044736100000000 ] - [ 0.0044193300000000, 0.0001381100000000, -0.0043853600000000 ] - [ 0.0044193300000000, -0.0001381100000000, -0.0043853600000000 ] - [ 0.0097401500000000, 0.0000000000000000, -0.0041236100000000 ] - [ 0.0097416800000000, -0.0001794100000000, -0.0040724200000000 ] - [ 0.0097416800000000, 0.0001794100000000, -0.0040724200000000 ] - [ 0.0013009500000000, 0.0000000000000000, -0.0077702200000000 ] - [ 0.0013079100000000, -0.0001725600000000, -0.0077076600000000 ] - [ 0.0013079100000000, 0.0001725600000000, -0.0077076600000000 ] - [ -0.0006583700000000, 0.0003128700000000, -0.0037951200000000 ] - [ -0.0006180600000000, 0.0000000000000000, -0.0026912300000000 ] - [ -0.0006583700000000, -0.0003128700000000, -0.0037951200000000 ] - [ 0.0020052900000000, 0.0000431000000000, -0.0003178800000000 ] - [ 0.0019963300000000, 0.0000000000000000, -0.0001785200000000 ] - [ 0.0020052900000000, -0.0000431000000000, -0.0003178800000000 ] - [ -0.0003613500000000, -0.0000032500000000, -0.0039784100000000 ] - [ -0.0003518400000000, 0.0000000000000000, -0.0036455000000000 ] - [ -0.0003613500000000, 0.0000032500000000, -0.0039784100000000 ] - [ 0.0018269700000000, 0.0000522900000000, -0.0006492100000000 ] - [ 0.0018489700000000, 0.0000000000000000, -0.0004897800000000 ] - [ 0.0018269700000000, -0.0000522900000000, -0.0006492100000000 ] - [ -0.0000708100000000, -0.0000081900000000, -0.0035806200000000 ] - [ -0.0000651000000000, 0.0000000000000000, -0.0032030000000000 ] - [ -0.0000708100000000, 0.0000081900000000, -0.0035806200000000 ] - [ 0.0032240200000000, 0.0006140900000000, -0.0007451500000000 ] - [ 0.0026529600000000, 0.0000000000000000, 0.0000223100000000 ] - [ 0.0032240200000000, -0.0006140900000000, -0.0007451500000000 ] - [ 0.0003935500000000, 0.0001963900000000, -0.0027122700000000 ] - [ 0.0003942100000000, 0.0000000000000000, -0.0020311500000000 ] - [ 0.0003935500000000, -0.0001963900000000, -0.0027122700000000 ] - [ 0.0001729500000000, -0.0144483600000000, -0.0111734700000000 ] - [ -0.0005894400000000, 0.0000000000000000, 0.0005297300000000 ] - [ 0.0001729500000000, 0.0144483600000000, -0.0111734700000000 ] - [ 0.0026229300000000, -0.0004602000000000, 0.0056254100000000 ] - [ 0.0026316400000000, 0.0000000000000000, 0.0015236700000000 ] - [ 0.0026229300000000, 0.0004602000000000, 0.0056254100000000 ] - [ -0.0003106000000000, 0.0008330600000000, 0.0013431300000000 ] - [ -0.0003918900000000, 0.0000000000000000, 0.0004353000000000 ] - [ -0.0003106000000000, -0.0008330600000000, 0.0013431300000000 ] - [ 0.0016593500000000, 0.0006621200000000, -0.0002450200000000 ] - [ 0.0022866600000000, 0.0000000000000000, 0.0005238800000000 ] - [ 0.0016593500000000, -0.0006621200000000, -0.0002450200000000 ] - [ 0.0003802700000000, 0.0149724900000000, -0.0099629200000000 ] - [ 0.0001948000000000, 0.0000000000000000, 0.0003644200000000 ] - [ 0.0003802700000000, -0.0149724900000000, -0.0099629200000000 ] - [ 0.0016633700000000, -0.0008623100000000, -0.0009973600000000 ] - [ 0.0024360700000000, 0.0000000000000000, -0.0001058400000000 ] - [ 0.0016633700000000, 0.0008623100000000, -0.0009973600000000 ] - [ -0.0000871100000000, -0.0010860500000000, 0.0010276900000000 ] - [ -0.0001826300000000, 0.0000000000000000, 0.0002655500000000 ] - [ -0.0000871100000000, 0.0010860500000000, 0.0010276900000000 ] - [ 0.0012205400000000, -0.0000220100000000, -0.0007735800000000 ] - [ 0.0012501700000000, 0.0000000000000000, -0.0006193300000000 ] - [ 0.0012205400000000, 0.0000220100000000, -0.0007735800000000 ] - [ 0.0002911600000000, -0.0001801600000000, -0.0023725400000000 ] - [ 0.0003289800000000, 0.0000000000000000, -0.0015088300000000 ] - [ 0.0002911600000000, 0.0001801600000000, -0.0023725400000000 ] - [ 0.0033712900000000, -0.0005728800000000, -0.0007390300000000 ] - [ 0.0027671200000000, 0.0000000000000000, -0.0000859600000000 ] - [ 0.0033712900000000, 0.0005728800000000, -0.0007390300000000 ] - [ -0.0001198200000000, -0.0003494500000000, -0.0051166000000000 ] - [ -0.0001203800000000, 0.0000000000000000, -0.0039196800000000 ] - [ -0.0001198200000000, 0.0003494500000000, -0.0051166000000000 ] - [ 0.0015142100000000, 0.0004596400000000, 0.0048976600000000 ] - [ 0.0023255100000000, 0.0000000000000000, 0.0012037700000000 ] - [ 0.0015142100000000, -0.0004596400000000, 0.0048976600000000 ] - [ 0.0025736000000000, -0.0000325500000000, -0.0003727900000000 ] - [ 0.0025500600000000, 0.0000000000000000, -0.0002013700000000 ] - [ 0.0025736000000000, 0.0000325500000000, -0.0003727900000000 ] - [ 0.0055991800000000, 0.0000000000000000, -0.0053830200000000 ] - [ 0.0054257500000000, 0.0022761000000000, -0.0046401700000000 ] - [ 0.0054257500000000, -0.0022761000000000, -0.0046401700000000 ] - [ 0.0039392400000000, 0.0000000000000000, 0.0563849900000000 ] - [ 0.0045322300000000, 0.0011571200000000, -0.0031413100000000 ] - [ 0.0045322300000000, -0.0011571200000000, -0.0031413100000000 ] - [ 0.0050168300000000, 0.0000000000000000, -0.0032150900000000 ] - [ 0.0050046500000000, 0.0001286900000000, -0.0031254200000000 ] - [ 0.0050046500000000, -0.0001286900000000, -0.0031254200000000 ] - [ 0.0067431800000000, 0.0000000000000000, -0.0027018200000000 ] - [ 0.0068727100000000, -0.0029994400000000, -0.0018566100000000 ] - [ 0.0068727100000000, 0.0029994400000000, -0.0018566100000000 ] - [ 0.0046975700000000, 0.0000000000000000, -0.0058673900000000 ] - [ 0.0047194100000000, 0.0006786500000000, -0.0042761500000000 ] - [ 0.0047194100000000, -0.0006786500000000, -0.0042761500000000 ] - [ 0.0051417500000000, 0.0000000000000000, -0.0010712500000000 ] - [ 0.0051313000000000, 0.0000409700000000, -0.0029770600000000 ] - [ 0.0051313000000000, -0.0000409700000000, -0.0029770600000000 ] - [ 0.0067760500000000, 0.0000000000000000, 0.0029749200000000 ] - [ 0.0068597200000000, -0.0009519300000000, 0.0044595900000000 ] - [ 0.0068597200000000, 0.0009519300000000, 0.0044595900000000 ] - [ 0.0004376500000000, 0.0000000000000000, 0.0009634300000000 ] - [ 0.0004339500000000, 0.0000044300000000, 0.0008858200000000 ] - [ 0.0004339500000000, -0.0000044300000000, 0.0008858200000000 ] - [ -0.0005128900000000, 0.0000000000000000, 0.0011607000000000 ] - [ -0.0005303900000000, -0.0002548000000000, 0.0007541300000000 ] - [ -0.0005303900000000, 0.0002548000000000, 0.0007541300000000 ] - [ -0.0057879200000000, 0.0000000000000000, 0.0004043600000000 ] - [ -0.0013574200000000, -0.0009302300000000, -0.0012120100000000 ] - [ -0.0013574200000000, 0.0009302300000000, -0.0012120100000000 ] - [ 0.0001792300000000, 0.0000000000000000, 0.0011841400000000 ] - [ 0.0001924700000000, -0.0002354300000000, 0.0007480300000000 ] - [ 0.0001924700000000, 0.0002354300000000, 0.0007480300000000 ] - [ 0.0037211100000000, 0.0000000000000000, -0.0005294100000000 ] - [ 0.0004122500000000, -0.0010165700000000, -0.0009749500000000 ] - [ 0.0004122500000000, 0.0010165700000000, -0.0009749500000000 ] - [ 0.0032059500000000, 0.0000000000000000, -0.0017820100000000 ] - [ 0.0008432500000000, 0.0009180500000000, -0.0015536800000000 ] - [ 0.0008432500000000, -0.0009180500000000, -0.0015536800000000 ] - [ -0.0030499900000000, 0.0000000000000000, -0.0041756900000000 ] - [ -0.0015684400000000, 0.0011251100000000, -0.0017029500000000 ] - [ -0.0015684400000000, -0.0011251100000000, -0.0017029500000000 ] - [ -0.0093971900000000, 0.0021029700000000, -0.0028054000000000 ] - [ -0.0094317800000000, 0.0000000000000000, -0.0036383100000000 ] - [ -0.0093971900000000, -0.0021029700000000, -0.0028054000000000 ] - [ -0.0115128300000000, 0.0001547500000000, 0.0087232900000000 ] - [ -0.0114315300000000, 0.0000000000000000, 0.0078892300000000 ] - [ -0.0115128300000000, -0.0001547500000000, 0.0087232900000000 ] - [ -0.0031029700000000, 0.0001534000000000, 0.0113297500000000 ] - [ -0.0032061900000000, 0.0000000000000000, 0.0105485100000000 ] - [ -0.0031029700000000, -0.0001534000000000, 0.0113297500000000 ] - [ -0.0057050700000000, -0.0001207700000000, 0.0075699900000000 ] - [ -0.0057629000000000, 0.0000000000000000, 0.0069798400000000 ] - [ -0.0057050700000000, 0.0001207700000000, 0.0075699900000000 ] - [ -0.0062453300000000, -0.0015594600000000, 0.0058760500000000 ] - [ -0.0063716300000000, 0.0000000000000000, 0.0054731000000000 ] - [ -0.0062453300000000, 0.0015594600000000, 0.0058760500000000 ] - [ -0.0077002300000000, -0.0016382200000000, 0.0115305400000000 ] - [ -0.0076313200000000, 0.0000000000000000, 0.0046322300000000 ] - [ -0.0077002300000000, 0.0016382200000000, 0.0115305400000000 ] - [ -0.0068807700000000, -0.0001168000000000, 0.0058798500000000 ] - [ -0.0068525800000000, 0.0000000000000000, 0.0053070100000000 ] - [ -0.0068807700000000, 0.0001168000000000, 0.0058798500000000 ] - [ -0.0071126400000000, 0.0004717300000000, -0.0168759500000000 ] - [ -0.0068891600000000, 0.0000000000000000, 0.0007363200000000 ] - [ -0.0071126400000000, -0.0004717300000000, -0.0168759500000000 ] - [ -0.0078834200000000, 0.0022702600000000, 0.0101161300000000 ] - [ -0.0085984800000000, 0.0000000000000000, 0.0021772700000000 ] - [ -0.0078834200000000, -0.0022702600000000, 0.0101161300000000 ] - [ -0.0068206800000000, 0.0001776500000000, 0.0002726800000000 ] - [ -0.0070942900000000, 0.0000000000000000, 0.0025025500000000 ] - [ -0.0068206800000000, -0.0001776500000000, 0.0002726800000000 ]- atom: 85 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0008138800000000, 0.0000000000000000, -0.0026696700000000 ] - [ -0.0003388000000000, 0.0003174900000000, -0.0004571700000000 ] - [ -0.0003388000000000, -0.0003174900000000, -0.0004571700000000 ] - [ -0.0001404800000000, 0.0000000000000000, 0.0001125800000000 ] - [ -0.0001199700000000, -0.0000019200000000, 0.0000790100000000 ] - [ -0.0001199700000000, 0.0000019200000000, 0.0000790100000000 ] - [ -0.0001548800000000, 0.0000000000000000, 0.0004168700000000 ] - [ -0.0001711800000000, -0.0000188400000000, 0.0003605700000000 ] - [ -0.0001711800000000, 0.0000188400000000, 0.0003605700000000 ] - [ 0.0085740300000000, 0.0000000000000000, -0.0033444000000000 ] - [ 0.0069228700000000, -0.0008117900000000, -0.0037522000000000 ] - [ 0.0069228700000000, 0.0008117900000000, -0.0037522000000000 ] - [ 0.0106277200000000, 0.0000000000000000, -0.0041351900000000 ] - [ 0.0097101100000000, 0.0001135800000000, -0.0034185100000000 ] - [ 0.0097101100000000, -0.0001135800000000, -0.0034185100000000 ] - [ 0.0007785100000000, 0.0000000000000000, -0.0074609800000000 ] - [ 0.0013524600000000, 0.0002193900000000, -0.0073518700000000 ] - [ 0.0013524600000000, -0.0002193900000000, -0.0073518700000000 ] - [ 0.0010570600000000, -0.0001766000000000, -0.0017481300000000 ] - [ -0.0005112800000000, 0.0000000000000000, -0.0013044900000000 ] - [ 0.0010570600000000, 0.0001766000000000, -0.0017481300000000 ] - [ 0.0155793500000000, -0.0129239700000000, 0.0004102300000000 ] - [ 0.0018473200000000, 0.0000000000000000, 0.0003272000000000 ] - [ 0.0155793500000000, 0.0129239700000000, 0.0004102300000000 ] - [ -0.0036824300000000, 0.0007666600000000, -0.0030544200000000 ] - [ -0.0004118600000000, 0.0000000000000000, -0.0020191300000000 ] - [ -0.0036824300000000, -0.0007666600000000, -0.0030544200000000 ] - [ 0.0123625900000000, 0.0151301400000000, 0.0007279300000000 ] - [ 0.0025301700000000, 0.0000000000000000, 0.0000751700000000 ] - [ 0.0123625900000000, -0.0151301400000000, 0.0007279300000000 ] - [ 0.0015399700000000, 0.0005558800000000, -0.0003932600000000 ] - [ 0.0000979700000000, 0.0000000000000000, -0.0009877800000000 ] - [ 0.0015399700000000, -0.0005558800000000, -0.0003932600000000 ] - [ 0.0023077200000000, -0.0004723800000000, -0.0005126400000000 ] - [ 0.0022615200000000, 0.0000000000000000, -0.0001492900000000 ] - [ 0.0023077200000000, 0.0004723800000000, -0.0005126400000000 ] - [ -0.0034654300000000, -0.0011119700000000, -0.0016342300000000 ] - [ 0.0001451000000000, 0.0000000000000000, -0.0008046600000000 ] - [ -0.0034654300000000, 0.0011119700000000, -0.0016342300000000 ] - [ -0.0005050000000000, -0.0000005200000000, -0.0021217400000000 ] - [ -0.0005042000000000, 0.0000000000000000, -0.0020873000000000 ] - [ -0.0005050000000000, 0.0000005200000000, -0.0021217400000000 ] - [ 0.0024776400000000, -0.0000033700000000, 0.0004735300000000 ] - [ 0.0024807200000000, 0.0000000000000000, 0.0004861300000000 ] - [ 0.0024776400000000, 0.0000033700000000, 0.0004735300000000 ] - [ -0.0005566800000000, -0.0000572700000000, -0.0013918000000000 ] - [ -0.0005113500000000, 0.0000000000000000, -0.0012268800000000 ] - [ -0.0005566800000000, 0.0000572700000000, -0.0013918000000000 ] - [ 0.0025391900000000, 0.0002978500000000, 0.0007745200000000 ] - [ 0.0025939700000000, 0.0000000000000000, 0.0005974300000000 ] - [ 0.0025391900000000, -0.0002978500000000, 0.0007745200000000 ] - [ 0.0001876900000000, -0.0000167900000000, -0.0017327900000000 ] - [ 0.0001557600000000, 0.0000000000000000, -0.0016134200000000 ] - [ 0.0001876900000000, 0.0000167900000000, -0.0017327900000000 ] - [ 0.0029151100000000, 0.0000022300000000, -0.0004121800000000 ] - [ 0.0029198100000000, 0.0000000000000000, -0.0003994000000000 ] - [ 0.0029151100000000, -0.0000022300000000, -0.0004121800000000 ] - [ -0.0002858800000000, -0.0000018600000000, -0.0016101200000000 ] - [ -0.0002829000000000, 0.0000000000000000, -0.0015729300000000 ] - [ -0.0002858800000000, 0.0000018600000000, -0.0016101200000000 ] - [ 0.0013470800000000, -0.0001320700000000, 0.0001047200000000 ] - [ 0.0013245700000000, 0.0000000000000000, -0.0001445700000000 ] - [ 0.0013470800000000, 0.0001320700000000, 0.0001047200000000 ] - [ 0.0003368100000000, 0.0000336000000000, -0.0007525000000000 ] - [ 0.0004060500000000, 0.0000000000000000, -0.0006718200000000 ] - [ 0.0003368100000000, -0.0000336000000000, -0.0007525000000000 ] - [ 0.0023621700000000, 0.0000037700000000, -0.0002256900000000 ] - [ 0.0023623000000000, 0.0000000000000000, -0.0002109000000000 ] - [ 0.0023621700000000, -0.0000037700000000, -0.0002256900000000 ] - [ -0.0000963800000000, 0.0000657300000000, -0.0022143900000000 ] - [ -0.0001178900000000, 0.0000000000000000, -0.0021374800000000 ] - [ -0.0000963800000000, -0.0000657300000000, -0.0022143900000000 ] - [ 0.0024259900000000, -0.0000091700000000, 0.0001227900000000 ] - [ 0.0024282100000000, 0.0000000000000000, 0.0001494400000000 ] - [ 0.0024259900000000, 0.0000091700000000, 0.0001227900000000 ] - [ 0.0024059200000000, 0.0002729100000000, 0.0001436200000000 ] - [ 0.0024950000000000, 0.0000000000000000, 0.0002238600000000 ] - [ 0.0024059200000000, -0.0002729100000000, 0.0001436200000000 ] - [ 0.0072940800000000, 0.0000000000000000, -0.0034683600000000 ] - [ 0.0056766300000000, -0.0001645600000000, -0.0034879300000000 ] - [ 0.0056766300000000, 0.0001645600000000, -0.0034879300000000 ] - [ 0.0046468600000000, 0.0000000000000000, -0.0034760300000000 ] - [ 0.0046578300000000, -0.0000194900000000, -0.0034640200000000 ] - [ 0.0046578300000000, 0.0000194900000000, -0.0034640200000000 ] - [ -0.0537524900000000, 0.0000000000000000, 0.0013453200000000 ] - [ 0.0055700900000000, 0.0013856700000000, -0.0023759300000000 ] - [ 0.0055700900000000, -0.0013856700000000, -0.0023759300000000 ] - [ 0.0069221700000000, 0.0000000000000000, -0.0007365600000000 ] - [ 0.0069227400000000, 0.0000166300000000, -0.0007263300000000 ] - [ 0.0069227400000000, -0.0000166300000000, -0.0007263300000000 ] - [ 0.0037688800000000, 0.0000000000000000, -0.0045587500000000 ] - [ 0.0046372100000000, -0.0002442400000000, -0.0043963400000000 ] - [ 0.0046372100000000, 0.0002442400000000, -0.0043963400000000 ] - [ 0.0052061900000000, 0.0000000000000000, -0.0040682500000000 ] - [ 0.0051956200000000, -0.0000236400000000, -0.0040583900000000 ] - [ 0.0051956200000000, 0.0000236400000000, -0.0040583900000000 ] - [ 0.0068781800000000, 0.0000000000000000, 0.0042988800000000 ] - [ 0.0068786500000000, 0.0000106500000000, 0.0043039100000000 ] - [ 0.0068786500000000, -0.0000106500000000, 0.0043039100000000 ] - [ -0.0004361900000000, 0.0000000000000000, 0.0029620400000000 ] - [ 0.0001885300000000, -0.0007501600000000, 0.0007494400000000 ] - [ 0.0001885300000000, 0.0007501600000000, 0.0007494400000000 ] - [ 0.0005687500000000, 0.0000000000000000, 0.0026743100000000 ] - [ -0.0000290000000000, 0.0008225200000000, 0.0006814000000000 ] - [ -0.0000290000000000, -0.0008225200000000, 0.0006814000000000 ] - [ -0.0004087400000000, 0.0000000000000000, 0.0000903000000000 ] - [ -0.0003901400000000, 0.0000677300000000, -0.0000599600000000 ] - [ -0.0003901400000000, -0.0000677300000000, -0.0000599600000000 ] - [ -0.0013701900000000, 0.0000000000000000, -0.0047846400000000 ] - [ -0.0001694100000000, -0.0007419300000000, -0.0009110800000000 ] - [ -0.0001694100000000, 0.0007419300000000, -0.0009110800000000 ] - [ -0.0005797900000000, 0.0000000000000000, 0.0000274000000000 ] - [ -0.0005902300000000, 0.0000046200000000, 0.0000417800000000 ] - [ -0.0005902300000000, -0.0000046200000000, 0.0000417800000000 ] - [ 0.0000929400000000, 0.0000000000000000, 0.0001173300000000 ] - [ 0.0000936000000000, 0.0000021300000000, 0.0001081900000000 ] - [ 0.0000936000000000, -0.0000021300000000, 0.0001081900000000 ] - [ -0.0006102300000000, 0.0000000000000000, -0.0000804200000000 ] - [ -0.0006109600000000, 0.0000030500000000, -0.0000903600000000 ] - [ -0.0006109600000000, -0.0000030500000000, -0.0000903600000000 ] - [ -0.0094563900000000, -0.0000113700000000, -0.0029773400000000 ] - [ -0.0094557700000000, 0.0000000000000000, -0.0030440600000000 ] - [ -0.0094563900000000, 0.0000113700000000, -0.0029773400000000 ] - [ -0.0117848700000000, -0.0006363400000000, 0.0049509800000000 ] - [ -0.0112594700000000, 0.0000000000000000, 0.0050308900000000 ] - [ -0.0117848700000000, 0.0006363400000000, 0.0049509800000000 ] - [ -0.0026559800000000, -0.0001706900000000, 0.0089522100000000 ] - [ -0.0033284400000000, 0.0000000000000000, 0.0086696000000000 ] - [ -0.0026559800000000, 0.0001706900000000, 0.0089522100000000 ] - [ -0.0206831700000000, 0.0004910400000000, 0.0045831900000000 ] - [ -0.0062641900000000, 0.0000000000000000, 0.0046475500000000 ] - [ -0.0206831700000000, -0.0004910400000000, 0.0045831900000000 ] - [ -0.0056058100000000, 0.0002483900000000, 0.0061121200000000 ] - [ -0.0062186200000000, 0.0000000000000000, 0.0055496200000000 ] - [ -0.0056058100000000, -0.0002483900000000, 0.0061121200000000 ] - [ -0.0082885500000000, 0.0001778000000000, 0.0052195200000000 ] - [ -0.0076830500000000, 0.0000000000000000, 0.0048055700000000 ] - [ -0.0082885500000000, -0.0001778000000000, 0.0052195200000000 ] - [ 0.0116715100000000, 0.0024252900000000, 0.0028735800000000 ] - [ -0.0061828600000000, 0.0000000000000000, 0.0033333100000000 ] - [ 0.0116715100000000, -0.0024252900000000, 0.0028735800000000 ] - [ -0.0069569500000000, 0.0000168800000000, 0.0047260600000000 ] - [ -0.0069692000000000, 0.0000000000000000, 0.0046444100000000 ] - [ -0.0069569500000000, -0.0000168800000000, 0.0047260600000000 ] - [ -0.0087479700000000, -0.0000123600000000, 0.0027365100000000 ] - [ -0.0087559900000000, 0.0000000000000000, 0.0026640200000000 ] - [ -0.0087479700000000, 0.0000123600000000, 0.0027365100000000 ] - [ -0.0069834900000000, 0.0000186400000000, 0.0053948800000000 ] - [ -0.0069777400000000, 0.0000000000000000, 0.0053093100000000 ] - [ -0.0069834900000000, -0.0000186400000000, 0.0053948800000000 ]- atom: 85 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0003459300000000, 0.0000000000000000, 0.0024656300000000 ] - [ -0.0007404200000000, -0.0003195300000000, 0.0003241300000000 ] - [ -0.0007404200000000, 0.0003195300000000, 0.0003241300000000 ] - [ -0.0001260700000000, 0.0000000000000000, 0.0000041800000000 ] - [ -0.0001460400000000, 0.0000013700000000, 0.0000362200000000 ] - [ -0.0001460400000000, -0.0000013700000000, 0.0000362200000000 ] - [ -0.0001548200000000, 0.0000000000000000, 0.0002050900000000 ] - [ -0.0001386100000000, 0.0000182200000000, 0.0002597600000000 ] - [ -0.0001386100000000, -0.0000182200000000, 0.0002597600000000 ] - [ 0.0004097500000000, 0.0000000000000000, -0.0040609400000000 ] - [ 0.0020558500000000, 0.0008631400000000, -0.0036459500000000 ] - [ 0.0020558500000000, -0.0008631400000000, -0.0036459500000000 ] - [ 0.0086574100000000, 0.0000000000000000, -0.0027703100000000 ] - [ 0.0095618700000000, -0.0001063100000000, -0.0034723400000000 ] - [ 0.0095618700000000, 0.0001063100000000, -0.0034723400000000 ] - [ 0.0019778700000000, 0.0000000000000000, -0.0069647400000000 ] - [ 0.0014070300000000, -0.0002254500000000, -0.0070681100000000 ] - [ 0.0014070300000000, 0.0002254500000000, -0.0070681100000000 ] - [ -0.0023537500000000, 0.0001898300000000, -0.0008406600000000 ] - [ -0.0007822400000000, 0.0000000000000000, -0.0012963400000000 ] - [ -0.0023537500000000, -0.0001898300000000, -0.0008406600000000 ] - [ -0.0116993700000000, 0.0131013200000000, 0.0000969100000000 ] - [ 0.0021270800000000, 0.0000000000000000, 0.0001856200000000 ] - [ -0.0116993700000000, -0.0131013200000000, 0.0000969100000000 ] - [ 0.0030261500000000, -0.0008178500000000, -0.0008065900000000 ] - [ -0.0002283800000000, 0.0000000000000000, -0.0019199200000000 ] - [ 0.0030261500000000, 0.0008178500000000, -0.0008065900000000 ] - [ -0.0084136200000000, -0.0149030300000000, -0.0006099200000000 ] - [ 0.0013365100000000, 0.0000000000000000, 0.0000335200000000 ] - [ -0.0084136200000000, 0.0149030300000000, -0.0006099200000000 ] - [ -0.0016369000000000, -0.0005447400000000, -0.0022826700000000 ] - [ -0.0002005600000000, 0.0000000000000000, -0.0016704800000000 ] - [ -0.0016369000000000, 0.0005447400000000, -0.0022826700000000 ] - [ 0.0022637400000000, 0.0004822300000000, 0.0003334000000000 ] - [ 0.0023045900000000, 0.0000000000000000, -0.0000359500000000 ] - [ 0.0022637400000000, -0.0004822300000000, 0.0003334000000000 ] - [ 0.0041656200000000, 0.0010506400000000, -0.0009437800000000 ] - [ 0.0005433300000000, 0.0000000000000000, -0.0016836600000000 ] - [ 0.0041656200000000, -0.0010506400000000, -0.0009437800000000 ] - [ -0.0005055100000000, 0.0000011800000000, -0.0017679700000000 ] - [ -0.0005062000000000, 0.0000000000000000, -0.0018030000000000 ] - [ -0.0005055100000000, -0.0000011800000000, -0.0017679700000000 ] - [ 0.0024878800000000, 0.0000038800000000, 0.0006058300000000 ] - [ 0.0024848900000000, 0.0000000000000000, 0.0005926400000000 ] - [ 0.0024878800000000, -0.0000038800000000, 0.0006058300000000 ] - [ -0.0003975300000000, 0.0000577800000000, -0.0009266700000000 ] - [ -0.0004432300000000, 0.0000000000000000, -0.0010948500000000 ] - [ -0.0003975300000000, -0.0000577800000000, -0.0009266700000000 ] - [ 0.0026577400000000, -0.0002905600000000, 0.0001130600000000 ] - [ 0.0026088300000000, 0.0000000000000000, 0.0002857700000000 ] - [ 0.0026577400000000, 0.0002905600000000, 0.0001130600000000 ] - [ 0.0000758800000000, 0.0000192300000000, -0.0012790300000000 ] - [ 0.0001079400000000, 0.0000000000000000, -0.0014041400000000 ] - [ 0.0000758800000000, -0.0000192300000000, -0.0012790300000000 ] - [ 0.0029579500000000, -0.0000019200000000, -0.0002881300000000 ] - [ 0.0029528000000000, 0.0000000000000000, -0.0002999800000000 ] - [ 0.0029579500000000, 0.0000019200000000, -0.0002881300000000 ] - [ -0.0002773100000000, 0.0000022200000000, -0.0012188300000000 ] - [ -0.0002803400000000, 0.0000000000000000, -0.0012553400000000 ] - [ -0.0002773100000000, -0.0000022200000000, -0.0012188300000000 ] - [ 0.0014978300000000, 0.0001350700000000, -0.0004705300000000 ] - [ 0.0015138500000000, 0.0000000000000000, -0.0002188900000000 ] - [ 0.0014978300000000, -0.0001350700000000, -0.0004705300000000 ] - [ 0.0005023300000000, -0.0000334900000000, -0.0001466700000000 ] - [ 0.0004325700000000, 0.0000000000000000, -0.0002277300000000 ] - [ 0.0005023300000000, 0.0000334900000000, -0.0001466700000000 ] - [ 0.0023339700000000, -0.0000033400000000, -0.0001056500000000 ] - [ 0.0023338400000000, 0.0000000000000000, -0.0001200000000000 ] - [ 0.0023339700000000, 0.0000033400000000, -0.0001056500000000 ] - [ -0.0001541600000000, -0.0000640100000000, -0.0019161800000000 ] - [ -0.0001327200000000, 0.0000000000000000, -0.0019858500000000 ] - [ -0.0001541600000000, 0.0000640100000000, -0.0019161800000000 ] - [ 0.0024342600000000, 0.0000097200000000, 0.0002495100000000 ] - [ 0.0024312100000000, 0.0000000000000000, 0.0002223400000000 ] - [ 0.0024342600000000, -0.0000097200000000, 0.0002495100000000 ] - [ 0.0024076000000000, -0.0002681300000000, 0.0003784600000000 ] - [ 0.0023248500000000, 0.0000000000000000, 0.0003004500000000 ] - [ 0.0024076000000000, 0.0002681300000000, 0.0003784600000000 ] - [ 0.0037600000000000, 0.0000000000000000, -0.0034399600000000 ] - [ 0.0053769300000000, 0.0001731800000000, -0.0034451500000000 ] - [ 0.0053769300000000, -0.0001731800000000, -0.0034451500000000 ] - [ 0.0046530700000000, 0.0000000000000000, -0.0033362400000000 ] - [ 0.0046423100000000, 0.0000212000000000, -0.0033486600000000 ] - [ 0.0046423100000000, -0.0000212000000000, -0.0033486600000000 ] - [ 0.0636390600000000, 0.0000000000000000, -0.0066103500000000 ] - [ 0.0043365500000000, -0.0015036800000000, -0.0027888400000000 ] - [ 0.0043365500000000, 0.0015036800000000, -0.0027888400000000 ] - [ 0.0069235400000000, 0.0000000000000000, -0.0006084100000000 ] - [ 0.0069230000000000, -0.0000154700000000, -0.0006184400000000 ] - [ 0.0069230000000000, 0.0000154700000000, -0.0006184400000000 ] - [ 0.0056736800000000, 0.0000000000000000, -0.0041099600000000 ] - [ 0.0048020400000000, 0.0002393900000000, -0.0042826000000000 ] - [ 0.0048020400000000, -0.0002393900000000, -0.0042826000000000 ] - [ 0.0051986300000000, 0.0000000000000000, -0.0039305100000000 ] - [ 0.0052086100000000, 0.0000252600000000, -0.0039411600000000 ] - [ 0.0052086100000000, -0.0000252600000000, -0.0039411600000000 ] - [ 0.0068764200000000, 0.0000000000000000, 0.0044355700000000 ] - [ 0.0068758200000000, -0.0000093200000000, 0.0044309300000000 ] - [ 0.0068758200000000, 0.0000093200000000, 0.0044309300000000 ] - [ 0.0014865400000000, 0.0000000000000000, -0.0029010700000000 ] - [ 0.0006960100000000, 0.0007453900000000, -0.0005313700000000 ] - [ 0.0006960100000000, -0.0007453900000000, -0.0005313700000000 ] - [ -0.0014004400000000, 0.0000000000000000, -0.0022878600000000 ] - [ -0.0005966700000000, -0.0008267000000000, -0.0005028400000000 ] - [ -0.0005966700000000, 0.0008267000000000, -0.0005028400000000 ] - [ -0.0003867200000000, 0.0000000000000000, -0.0004340200000000 ] - [ -0.0004046300000000, -0.0000703400000000, -0.0002784700000000 ] - [ -0.0004046300000000, 0.0000703400000000, -0.0002784700000000 ] - [ 0.0014521200000000, 0.0000000000000000, 0.0049964300000000 ] - [ 0.0001162600000000, 0.0007342800000000, 0.0010083300000000 ] - [ 0.0001162600000000, -0.0007342800000000, 0.0010083300000000 ] - [ -0.0005780400000000, 0.0000000000000000, 0.0000476100000000 ] - [ -0.0005688300000000, -0.0000062500000000, 0.0000377100000000 ] - [ -0.0005688300000000, 0.0000062500000000, 0.0000377100000000 ] - [ 0.0000868200000000, 0.0000000000000000, -0.0000600900000000 ] - [ 0.0000866400000000, -0.0000025500000000, -0.0000509900000000 ] - [ 0.0000866400000000, 0.0000025500000000, -0.0000509900000000 ] - [ -0.0006038300000000, 0.0000000000000000, -0.0002446700000000 ] - [ -0.0006031700000000, -0.0000036000000000, -0.0002338900000000 ] - [ -0.0006031700000000, 0.0000036000000000, -0.0002338900000000 ] - [ -0.0094166400000000, 0.0000105300000000, -0.0036442200000000 ] - [ -0.0094172400000000, 0.0000000000000000, -0.0035794700000000 ] - [ -0.0094166400000000, -0.0000105300000000, -0.0036442200000000 ] - [ -0.0105821600000000, 0.0006187100000000, 0.0054442000000000 ] - [ -0.0111036300000000, 0.0000000000000000, 0.0053420000000000 ] - [ -0.0105821600000000, -0.0006187100000000, 0.0054442000000000 ] - [ -0.0042748700000000, 0.0001633000000000, 0.0079840100000000 ] - [ -0.0035993600000000, 0.0000000000000000, 0.0082985700000000 ] - [ -0.0042748700000000, -0.0001633000000000, 0.0079840100000000 ] - [ 0.0087380200000000, -0.0005474300000000, 0.0052562600000000 ] - [ -0.0056786500000000, 0.0000000000000000, 0.0051871000000000 ] - [ 0.0087380200000000, 0.0005474300000000, 0.0052562600000000 ] - [ -0.0071824400000000, -0.0002609500000000, 0.0054683600000000 ] - [ -0.0065680400000000, 0.0000000000000000, 0.0059929600000000 ] - [ -0.0071824400000000, 0.0002609500000000, 0.0054683600000000 ] - [ -0.0067531700000000, -0.0001992900000000, 0.0043044000000000 ] - [ -0.0073626700000000, 0.0000000000000000, 0.0047431400000000 ] - [ -0.0067531700000000, 0.0001992900000000, 0.0043044000000000 ] - [ -0.0252163700000000, -0.0026348000000000, 0.0044185800000000 ] - [ -0.0073319500000000, 0.0000000000000000, 0.0039440500000000 ] - [ -0.0252163700000000, 0.0026348000000000, 0.0044185800000000 ] - [ -0.0069533800000000, -0.0000195500000000, 0.0042313400000000 ] - [ -0.0069422000000000, 0.0000000000000000, 0.0043145500000000 ] - [ -0.0069533800000000, 0.0000195500000000, 0.0042313400000000 ] - [ -0.0087750100000000, 0.0000118000000000, 0.0022723900000000 ] - [ -0.0087670500000000, 0.0000000000000000, 0.0023428900000000 ] - [ -0.0087750100000000, -0.0000118000000000, 0.0022723900000000 ] - [ -0.0070156600000000, -0.0000199200000000, 0.0049094000000000 ] - [ -0.0070203300000000, 0.0000000000000000, 0.0050008200000000 ] - [ -0.0070156600000000, 0.0000199200000000, 0.0049094000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005890700000000, 0.0050781300000000, -0.0001236500000000 ] - [ 0.0004123000000000, -0.0016939400000000, 0.0012069200000000 ] - [ -0.0014723800000000, -0.0017046300000000, -0.0013301300000000 ] - [ -0.0001319500000000, 0.0006555900000000, 0.0000556300000000 ] - [ -0.0000388500000000, -0.0003261200000000, 0.0003327300000000 ] - [ -0.0002250200000000, -0.0003286400000000, -0.0002168000000000 ] - [ -0.0001556800000000, 0.0006961400000000, 0.0003075600000000 ] - [ -0.0002443700000000, -0.0003434100000000, 0.0005973200000000 ] - [ -0.0000665100000000, -0.0003460900000000, 0.0000220900000000 ] - [ 0.0045016600000000, -0.0157671000000000, -0.0036952900000000 ] - [ 0.0054747900000000, 0.0090175300000000, -0.0037317300000000 ] - [ 0.0035279900000000, 0.0090435100000000, -0.0036665800000000 ] - [ 0.0096264300000000, -0.0041768600000000, -0.0034303900000000 ] - [ 0.0099441900000000, 0.0020567200000000, -0.0040537400000000 ] - [ 0.0093315100000000, 0.0020782300000000, -0.0028373700000000 ] - [ 0.0013795900000000, -0.0103129100000000, -0.0072122500000000 ] - [ 0.0010715600000000, 0.0059553100000000, -0.0096681800000000 ] - [ 0.0016843600000000, 0.0059692300000000, -0.0047766600000000 ] - [ -0.0000720400000000, -0.0012866900000000, 0.0032311700000000 ] - [ -0.0006451300000000, 0.0024162500000000, -0.0012889400000000 ] - [ -0.0012085200000000, -0.0012471300000000, -0.0058231400000000 ] - [ -0.0222228300000000, 0.0091529600000000, 0.0007442800000000 ] - [ 0.0019479200000000, 0.0051355600000000, 0.0002586500000000 ] - [ 0.0260341000000000, 0.0092251600000000, -0.0002378200000000 ] - [ 0.0020067700000000, 0.0097235200000000, -0.0318274700000000 ] - [ -0.0003164700000000, 0.0043706400000000, -0.0020146000000000 ] - [ -0.0026314200000000, 0.0097950100000000, 0.0276080400000000 ] - [ 0.0291118100000000, 0.0119806800000000, 0.0020513800000000 ] - [ 0.0019797200000000, 0.0057346200000000, 0.0000582400000000 ] - [ -0.0248065800000000, 0.0120473700000000, -0.0019101600000000 ] - [ 0.0003684500000000, -0.0012134400000000, -0.0059036900000000 ] - [ -0.0000479500000000, 0.0023578600000000, -0.0013377200000000 ] - [ -0.0004698600000000, -0.0011789800000000, 0.0032414400000000 ] - [ 0.0007554100000000, -0.0007766600000000, 0.0017587900000000 ] - [ 0.0022762100000000, 0.0014283400000000, -0.0000880300000000 ] - [ 0.0037981700000000, -0.0007545300000000, -0.0019539600000000 ] - [ -0.0012135000000000, 0.0111529200000000, 0.0295304400000000 ] - [ 0.0003411700000000, 0.0048249600000000, -0.0011941700000000 ] - [ 0.0018832000000000, 0.0112255400000000, -0.0317444400000000 ] - [ -0.0005374100000000, -0.0001203300000000, -0.0019848000000000 ] - [ -0.0005051000000000, 0.0002400900000000, -0.0019471600000000 ] - [ -0.0004724700000000, -0.0001193900000000, -0.0019103900000000 ] - [ 0.0024295000000000, -0.0001399000000000, 0.0007852200000000 ] - [ 0.0024818100000000, 0.0002696500000000, 0.0005392800000000 ] - [ 0.0025326800000000, -0.0001383700000000, 0.0002906200000000 ] - [ -0.0006922400000000, -0.0003929700000000, 0.0019659800000000 ] - [ -0.0004782500000000, 0.0013190400000000, -0.0011498500000000 ] - [ -0.0002653500000000, -0.0003892000000000, -0.0042793100000000 ] - [ 0.0044817800000000, -0.0008145300000000, 0.0022039700000000 ] - [ 0.0026101200000000, 0.0016849100000000, 0.0004469300000000 ] - [ 0.0007436400000000, -0.0007930300000000, -0.0013299700000000 ] - [ 0.0001737000000000, -0.0003058200000000, 0.0001344500000000 ] - [ 0.0001320300000000, 0.0006065400000000, -0.0015071700000000 ] - [ 0.0000909600000000, -0.0002992400000000, -0.0031699500000000 ] - [ 0.0028071700000000, -0.0001067400000000, -0.0007129400000000 ] - [ 0.0029348200000000, 0.0002013000000000, -0.0003518300000000 ] - [ 0.0030623100000000, -0.0001058900000000, 0.0000110300000000 ] - [ -0.0003161200000000, -0.0000964100000000, -0.0015601900000000 ] - [ -0.0002817000000000, 0.0003301900000000, -0.0014171900000000 ] - [ -0.0002475200000000, -0.0000964700000000, -0.0012750400000000 ] - [ -0.0005106100000000, -0.0005402000000000, -0.0020626400000000 ] - [ 0.0014104200000000, 0.0010882300000000, -0.0001856900000000 ] - [ 0.0033338600000000, -0.0005268500000000, 0.0017065300000000 ] - [ 0.0000079100000000, -0.0002709400000000, -0.0044642000000000 ] - [ 0.0004175800000000, 0.0011490900000000, -0.0004670500000000 ] - [ 0.0008267300000000, -0.0002693200000000, 0.0035417500000000 ] - [ 0.0024825600000000, -0.0001056900000000, -0.0005058300000000 ] - [ 0.0023499200000000, 0.0002115800000000, -0.0001669600000000 ] - [ 0.0022179000000000, -0.0001050300000000, 0.0001742800000000 ] - [ -0.0000556900000000, -0.0002522600000000, -0.0041564700000000 ] - [ -0.0001249400000000, 0.0004984700000000, -0.0020669900000000 ] - [ -0.0001937000000000, -0.0002478400000000, 0.0000402500000000 ] - [ 0.0025657400000000, -0.0001503400000000, 0.0004307700000000 ] - [ 0.0024315100000000, 0.0002980300000000, 0.0001857700000000 ] - [ 0.0022988000000000, -0.0001485600000000, -0.0000619400000000 ] - [ 0.0041457400000000, -0.0007146300000000, -0.0017315400000000 ] - [ 0.0024186700000000, 0.0012987800000000, 0.0002570000000000 ] - [ 0.0006939700000000, -0.0007013300000000, 0.0022563800000000 ] - [ 0.0055260600000000, -0.0037490000000000, -0.0034921300000000 ] - [ 0.0056794200000000, 0.0018448300000000, -0.0027359300000000 ] - [ 0.0053774600000000, 0.0018697300000000, -0.0041963100000000 ] - [ 0.0046499200000000, -0.0009010100000000, -0.0034087700000000 ] - [ 0.0046618800000000, 0.0004506000000000, -0.0032798400000000 ] - [ 0.0046382200000000, 0.0004554900000000, -0.0035354900000000 ] - [ 0.0046691700000000, -0.1876855500000000, -0.0025122000000000 ] - [ 0.0034972100000000, 0.0423704800000000, -0.0015319300000000 ] - [ 0.0063869100000000, 0.0419311200000000, -0.0035991600000000 ] - [ 0.0069231000000000, -0.0010180700000000, -0.0006723300000000 ] - [ 0.0069304000000000, 0.0005074800000000, -0.0007772500000000 ] - [ 0.0069155700000000, 0.0005117600000000, -0.0005682100000000 ] - [ 0.0047177700000000, -0.0093321500000000, -0.0043443600000000 ] - [ 0.0048003200000000, 0.0053613900000000, -0.0018879000000000 ] - [ 0.0046380600000000, 0.0053819400000000, -0.0067722500000000 ] - [ 0.0052020800000000, -0.0011185100000000, -0.0040010900000000 ] - [ 0.0052200400000000, 0.0006086900000000, -0.0038688800000000 ] - [ 0.0051840700000000, 0.0006124800000000, -0.0041315100000000 ] - [ 0.0068771800000000, -0.0012567800000000, 0.0043662400000000 ] - [ 0.0068932800000000, 0.0006719700000000, 0.0042396500000000 ] - [ 0.0068611900000000, 0.0006752600000000, 0.0044919400000000 ] - [ 0.0005405000000000, 0.0129284400000000, 0.0000186400000000 ] - [ -0.0020195500000000, -0.0048061100000000, 0.0031552500000000 ] - [ 0.0028577700000000, -0.0048196200000000, -0.0029115200000000 ] - [ -0.0004083900000000, 0.0111193800000000, 0.0001917700000000 ] - [ 0.0019835400000000, -0.0037290300000000, -0.0025098600000000 ] - [ -0.0025672300000000, -0.0037570700000000, 0.0026653700000000 ] - [ -0.0003940800000000, 0.0013328400000000, -0.0001607200000000 ] - [ -0.0001652200000000, -0.0006594100000000, -0.0008430600000000 ] - [ -0.0006238400000000, -0.0006654100000000, 0.0005065500000000 ] - [ 0.0000706800000000, 0.0121290300000000, 0.0001379100000000 ] - [ -0.0021110400000000, -0.0044935800000000, -0.0034628700000000 ] - [ 0.0020200500000000, -0.0045070700000000, 0.0035253400000000 ] - [ -0.0005829900000000, 0.0013972800000000, 0.0000469100000000 ] - [ -0.0008104700000000, -0.0006915800000000, -0.0006702000000000 ] - [ -0.0003548600000000, -0.0006983000000000, 0.0007496100000000 ] - [ 0.0000905100000000, 0.0004842600000000, 0.0000302700000000 ] - [ 0.0001050000000000, -0.0002413500000000, 0.0000319900000000 ] - [ 0.0000760400000000, -0.0002431100000000, 0.0000279900000000 ] - [ -0.0006077800000000, 0.0004943100000000, -0.0001617700000000 ] - [ -0.0006241000000000, -0.0002471900000000, -0.0001593300000000 ] - [ -0.0005914600000000, -0.0002489900000000, -0.0001634400000000 ] - [ -0.0095827700000000, 0.0004773400000000, -0.0013418700000000 ] - [ -0.0094373200000000, -0.0011450200000000, -0.0033005200000000 ] - [ -0.0092909000000000, 0.0004747600000000, -0.0052682000000000 ] - [ -0.0113601000000000, 0.0020149200000000, 0.0097127400000000 ] - [ -0.0111822000000000, -0.0039641200000000, 0.0051973700000000 ] - [ -0.0110070200000000, 0.0019710800000000, 0.0006403600000000 ] - [ -0.0009452300000000, 0.0040832500000000, 0.0275815700000000 ] - [ -0.0034576100000000, -0.0092848700000000, 0.0085268500000000 ] - [ -0.0059681300000000, 0.0040398800000000, -0.0105567200000000 ] - [ -0.0047084200000000, 0.0059596400000000, 0.0050750900000000 ] - [ -0.0059723800000000, -0.0128749400000000, 0.0049147000000000 ] - [ -0.0073598600000000, 0.0058921300000000, 0.0047536600000000 ] - [ -0.0073746500000000, 0.0034435200000000, -0.0118041400000000 ] - [ -0.0063954600000000, -0.0077193900000000, 0.0057334000000000 ] - [ -0.0054180500000000, 0.0034069300000000, 0.0233227200000000 ] - [ -0.0075306500000000, 0.0017393800000000, 0.0007349100000000 ] - [ -0.0075238700000000, -0.0034239700000000, 0.0047640200000000 ] - [ -0.0075198500000000, 0.0016841500000000, 0.0088321100000000 ] - [ -0.0042685800000000, 0.0115211400000000, 0.0010535100000000 ] - [ -0.0067616900000000, -0.0337605300000000, 0.0036331200000000 ] - [ -0.0092144300000000, 0.0064770800000000, 0.0060959500000000 ] - [ -0.0069857700000000, 0.0003924100000000, 0.0035558400000000 ] - [ -0.0069559200000000, -0.0007860200000000, 0.0044805200000000 ] - [ -0.0069246800000000, 0.0003894500000000, 0.0054198800000000 ] - [ -0.0086655100000000, 0.0004106900000000, 0.0036635800000000 ] - [ -0.0087619300000000, -0.0008190700000000, 0.0025078300000000 ] - [ -0.0088593800000000, 0.0004067100000000, 0.0013401700000000 ] - [ -0.0070488500000000, 0.0003921300000000, 0.0037706400000000 ] - [ -0.0069996000000000, -0.0009665300000000, 0.0051514100000000 ] - [ -0.0069515200000000, 0.0003887800000000, 0.0065395600000000 ]- atom: 85 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0029758700000000, 0.0000000000000000, 0.0002067300000000 ] - [ -0.0009466100000000, 0.0003842200000000, 0.0004520000000000 ] - [ -0.0009466100000000, -0.0003842200000000, 0.0004520000000000 ] - [ -0.0002741900000000, 0.0000000000000000, -0.0004591700000000 ] - [ -0.0002537500000000, 0.0001104200000000, -0.0002999500000000 ] - [ -0.0002537500000000, -0.0001104200000000, -0.0002999500000000 ] - [ -0.0000269700000000, 0.0000000000000000, -0.0002535200000000 ] - [ -0.0000519300000000, 0.0001243500000000, -0.0000833300000000 ] - [ -0.0000519300000000, -0.0001243500000000, -0.0000833300000000 ] - [ 0.0040505600000000, 0.0000000000000000, -0.0065423900000000 ] - [ 0.0044920200000000, -0.0001087300000000, -0.0046620400000000 ] - [ 0.0044920200000000, 0.0001087300000000, -0.0046620400000000 ] - [ 0.0089020000000000, 0.0000000000000000, -0.0026379600000000 ] - [ 0.0095970600000000, -0.0007398800000000, -0.0034822100000000 ] - [ 0.0095970600000000, 0.0007398800000000, -0.0034822100000000 ] - [ 0.0016394900000000, 0.0000000000000000, -0.0054103500000000 ] - [ 0.0015382900000000, -0.0028564900000000, -0.0059945500000000 ] - [ 0.0015382900000000, 0.0028564900000000, -0.0059945500000000 ] - [ -0.0007255500000000, 0.0010541000000000, -0.0037938400000000 ] - [ -0.0006988900000000, 0.0000000000000000, -0.0029371100000000 ] - [ -0.0007255500000000, -0.0010541000000000, -0.0037938400000000 ] - [ 0.0033798000000000, -0.0008388600000000, -0.0044533800000000 ] - [ 0.0020763900000000, 0.0000000000000000, -0.0005641700000000 ] - [ 0.0033798000000000, 0.0008388600000000, -0.0044533800000000 ] - [ -0.0018417800000000, -0.0130771400000000, 0.0074006300000000 ] - [ -0.0002965300000000, 0.0000000000000000, -0.0039049000000000 ] - [ -0.0018417800000000, 0.0130771400000000, 0.0074006300000000 ] - [ 0.0019827100000000, 0.0005952500000000, -0.0050797200000000 ] - [ 0.0017797600000000, 0.0000000000000000, -0.0009423500000000 ] - [ 0.0019827100000000, -0.0005952500000000, -0.0050797200000000 ] - [ -0.0008413900000000, -0.0008623600000000, -0.0034860600000000 ] - [ -0.0003889000000000, 0.0000000000000000, -0.0027735000000000 ] - [ -0.0008413900000000, 0.0008623600000000, -0.0034860600000000 ] - [ 0.0011251800000000, 0.0006323600000000, 0.0005969300000000 ] - [ 0.0018958100000000, 0.0000000000000000, -0.0001980300000000 ] - [ 0.0011251800000000, -0.0006323600000000, 0.0005969300000000 ] - [ -0.0000676300000000, 0.0144868700000000, 0.0084106900000000 ] - [ 0.0004084300000000, 0.0000000000000000, -0.0035133700000000 ] - [ -0.0000676300000000, -0.0144868700000000, 0.0084106900000000 ] - [ -0.0004832400000000, 0.0000033800000000, -0.0002358400000000 ] - [ -0.0004866100000000, 0.0000000000000000, -0.0005230900000000 ] - [ -0.0004832400000000, -0.0000033800000000, -0.0002358400000000 ] - [ 0.0023975300000000, 0.0000414700000000, 0.0011879100000000 ] - [ 0.0024018400000000, 0.0000000000000000, 0.0010388300000000 ] - [ 0.0023975300000000, -0.0000414700000000, 0.0011879100000000 ] - [ -0.0005237600000000, 0.0003792600000000, 0.0014085800000000 ] - [ -0.0004633400000000, 0.0000000000000000, 0.0002611200000000 ] - [ -0.0005237600000000, -0.0003792600000000, 0.0014085800000000 ] - [ 0.0037791800000000, 0.0006513400000000, 0.0011275600000000 ] - [ 0.0030306500000000, 0.0000000000000000, 0.0002917400000000 ] - [ 0.0037791800000000, -0.0006513400000000, 0.0011275600000000 ] - [ 0.0001763100000000, 0.0002057600000000, -0.0000562100000000 ] - [ 0.0001627000000000, 0.0000000000000000, -0.0007664600000000 ] - [ 0.0001763100000000, -0.0002057600000000, -0.0000562100000000 ] - [ 0.0030958500000000, -0.0000186300000000, 0.0003254700000000 ] - [ 0.0030512400000000, 0.0000000000000000, 0.0001587900000000 ] - [ 0.0030958500000000, 0.0000186300000000, 0.0003254700000000 ] - [ -0.0002820800000000, 0.0000011100000000, 0.0006683800000000 ] - [ -0.0002876100000000, 0.0000000000000000, 0.0002997800000000 ] - [ -0.0002820800000000, -0.0000011100000000, 0.0006683800000000 ] - [ 0.0027959300000000, -0.0004245600000000, 0.0003850000000000 ] - [ 0.0018977200000000, 0.0000000000000000, -0.0002577000000000 ] - [ 0.0027959300000000, 0.0004245600000000, 0.0003850000000000 ] - [ 0.0005222500000000, -0.0003301600000000, 0.0029228900000000 ] - [ 0.0003857300000000, 0.0000000000000000, 0.0014869200000000 ] - [ 0.0005222500000000, 0.0003301600000000, 0.0029228900000000 ] - [ 0.0022113500000000, -0.0000272700000000, 0.0004479100000000 ] - [ 0.0022487500000000, 0.0000000000000000, 0.0002833500000000 ] - [ 0.0022113500000000, 0.0000272700000000, 0.0004479100000000 ] - [ -0.0001360300000000, -0.0001353700000000, -0.0003065000000000 ] - [ -0.0001255000000000, 0.0000000000000000, -0.0009944100000000 ] - [ -0.0001360300000000, 0.0001353700000000, -0.0003065000000000 ] - [ 0.0025888700000000, 0.0000543900000000, 0.0008465100000000 ] - [ 0.0025565400000000, 0.0000000000000000, 0.0006918300000000 ] - [ 0.0025888700000000, -0.0000543900000000, 0.0008465100000000 ] - [ 0.0011596500000000, -0.0003836800000000, 0.0009570400000000 ] - [ 0.0019222700000000, 0.0000000000000000, 0.0002228200000000 ] - [ 0.0011596500000000, 0.0003836800000000, 0.0009570400000000 ] - [ 0.0056065600000000, 0.0000000000000000, -0.0019347500000000 ] - [ 0.0055290200000000, 0.0007829600000000, -0.0035040300000000 ] - [ 0.0055290200000000, -0.0007829600000000, -0.0035040300000000 ] - [ 0.0046556300000000, 0.0000000000000000, -0.0027716700000000 ] - [ 0.0046522400000000, 0.0001425700000000, -0.0028615700000000 ] - [ 0.0046522400000000, -0.0001425700000000, -0.0028615700000000 ] - [ 0.0090081500000000, 0.0000000000000000, -0.0585132800000000 ] - [ 0.0051574800000000, -0.0010982000000000, -0.0021634200000000 ] - [ 0.0051574800000000, 0.0010982000000000, -0.0021634200000000 ] - [ 0.0069375100000000, 0.0000000000000000, -0.0000824400000000 ] - [ 0.0069382500000000, -0.0001232100000000, -0.0001450400000000 ] - [ 0.0069382500000000, 0.0001232100000000, -0.0001450400000000 ] - [ 0.0047959000000000, 0.0000000000000000, -0.0025068000000000 ] - [ 0.0047098700000000, 0.0027102000000000, -0.0031685900000000 ] - [ 0.0047098700000000, -0.0027102000000000, -0.0031685900000000 ] - [ 0.0052071400000000, 0.0000000000000000, -0.0032427300000000 ] - [ 0.0052019500000000, 0.0001624200000000, -0.0033258500000000 ] - [ 0.0052019500000000, -0.0001624200000000, -0.0033258500000000 ] - [ 0.0068490200000000, 0.0000000000000000, 0.0050822700000000 ] - [ 0.0068500200000000, -0.0001692200000000, 0.0050237600000000 ] - [ 0.0068500200000000, 0.0001692200000000, 0.0050237600000000 ] - [ 0.0056328800000000, 0.0000000000000000, 0.0015147900000000 ] - [ 0.0014917200000000, 0.0010322400000000, 0.0012800800000000 ] - [ 0.0014917200000000, -0.0010322400000000, 0.0012800800000000 ] - [ 0.0022841800000000, 0.0000000000000000, 0.0035276300000000 ] - [ 0.0005613400000000, -0.0009694200000000, 0.0015243500000000 ] - [ 0.0005613400000000, 0.0009694200000000, 0.0015243500000000 ] - [ -0.0001499400000000, 0.0000000000000000, -0.0013033700000000 ] - [ -0.0001354200000000, -0.0002636800000000, -0.0008231600000000 ] - [ -0.0001354200000000, 0.0002636800000000, -0.0008231600000000 ] - [ -0.0043746700000000, 0.0000000000000000, 0.0008204700000000 ] - [ -0.0007174500000000, -0.0008248800000000, 0.0014784600000000 ] - [ -0.0007174500000000, 0.0008248800000000, 0.0014784600000000 ] - [ -0.0008265600000000, 0.0000000000000000, -0.0011268000000000 ] - [ -0.0008385700000000, -0.0002799000000000, -0.0006410400000000 ] - [ -0.0008385700000000, 0.0002799000000000, -0.0006410400000000 ] - [ 0.0000840200000000, 0.0000000000000000, -0.0008599900000000 ] - [ 0.0000870300000000, -0.0000003400000000, -0.0007748800000000 ] - [ 0.0000870300000000, 0.0000003400000000, -0.0007748800000000 ] - [ -0.0006012400000000, 0.0000000000000000, -0.0009898100000000 ] - [ -0.0006045300000000, -0.0000021800000000, -0.0009096000000000 ] - [ -0.0006045300000000, 0.0000021800000000, -0.0009096000000000 ] - [ -0.0091452600000000, 0.0001393500000000, -0.0068279900000000 ] - [ -0.0092048500000000, 0.0000000000000000, -0.0059580300000000 ] - [ -0.0091452600000000, -0.0001393500000000, -0.0068279900000000 ] - [ -0.0112026600000000, 0.0013541800000000, 0.0046145700000000 ] - [ -0.0111759600000000, 0.0000000000000000, 0.0052779800000000 ] - [ -0.0112026600000000, -0.0013541800000000, 0.0046145700000000 ] - [ -0.0047026500000000, 0.0023732100000000, -0.0004281100000000 ] - [ -0.0035412500000000, 0.0000000000000000, 0.0083501000000000 ] - [ -0.0047026500000000, -0.0023732100000000, -0.0004281100000000 ] - [ -0.0062278300000000, -0.0000873200000000, 0.0094393700000000 ] - [ -0.0056809400000000, 0.0000000000000000, 0.0073230800000000 ] - [ -0.0062278300000000, 0.0000873200000000, 0.0094393700000000 ] - [ -0.0068913200000000, -0.0020247300000000, -0.0019107100000000 ] - [ -0.0064330200000000, 0.0000000000000000, 0.0063948600000000 ] - [ -0.0068913200000000, 0.0020247300000000, -0.0019107100000000 ] - [ -0.0073626300000000, -0.0016591300000000, 0.0048088600000000 ] - [ -0.0074991600000000, 0.0000000000000000, 0.0053463700000000 ] - [ -0.0073626300000000, 0.0016591300000000, 0.0048088600000000 ] - [ -0.0070514700000000, 0.0009049900000000, 0.0238790300000000 ] - [ -0.0070330200000000, 0.0000000000000000, 0.0071244700000000 ] - [ -0.0070514700000000, -0.0009049900000000, 0.0238790300000000 ] - [ -0.0069726100000000, -0.0001289500000000, 0.0023519100000000 ] - [ -0.0069618600000000, 0.0000000000000000, 0.0029541000000000 ] - [ -0.0069726100000000, 0.0001289500000000, 0.0023519100000000 ] - [ -0.0088935100000000, 0.0000997600000000, 0.0001757000000000 ] - [ -0.0088522800000000, 0.0000000000000000, 0.0007626700000000 ] - [ -0.0088935100000000, -0.0000997600000000, 0.0001757000000000 ] - [ -0.0071262900000000, -0.0001424600000000, 0.0024211900000000 ] - [ -0.0071016200000000, 0.0000000000000000, 0.0031130500000000 ] - [ -0.0071262900000000, 0.0001424600000000, 0.0024211900000000 ]- atom: 85 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ 0.0018302200000000, 0.0000000000000000, -0.0004286000000000 ] - [ -0.0001247600000000, -0.0003857200000000, -0.0005965100000000 ] - [ -0.0001247600000000, 0.0003857200000000, -0.0005965100000000 ] - [ 0.0000103500000000, 0.0000000000000000, 0.0005746100000000 ] - [ -0.0000094200000000, -0.0001113400000000, 0.0004138600000000 ] - [ -0.0000094200000000, 0.0001113400000000, 0.0004138600000000 ] - [ -0.0002854600000000, 0.0000000000000000, 0.0008749600000000 ] - [ -0.0002605200000000, -0.0001253300000000, 0.0007035900000000 ] - [ -0.0002605200000000, 0.0001253300000000, 0.0007035900000000 ] - [ 0.0049254500000000, 0.0000000000000000, -0.0008646200000000 ] - [ 0.0044800000000000, 0.0000984600000000, -0.0027400600000000 ] - [ 0.0044800000000000, -0.0000984600000000, -0.0027400600000000 ] - [ 0.0103780800000000, 0.0000000000000000, -0.0042575600000000 ] - [ 0.0096743400000000, 0.0007466000000000, -0.0034019800000000 ] - [ 0.0096743400000000, -0.0007466000000000, -0.0034019800000000 ] - [ 0.0011168500000000, 0.0000000000000000, -0.0090271100000000 ] - [ 0.0012186500000000, 0.0028875000000000, -0.0084426100000000 ] - [ 0.0012186500000000, -0.0028875000000000, -0.0084426100000000 ] - [ -0.0005713600000000, -0.0010391600000000, 0.0011612000000000 ] - [ -0.0005960100000000, 0.0000000000000000, 0.0003119300000000 ] - [ -0.0005713600000000, 0.0010391600000000, 0.0011612000000000 ] - [ 0.0006544000000000, 0.0007849500000000, 0.0049685600000000 ] - [ 0.0018758000000000, 0.0000000000000000, 0.0010747400000000 ] - [ 0.0006544000000000, -0.0007849500000000, 0.0049685600000000 ] - [ 0.0012219100000000, 0.0132675500000000, -0.0114328400000000 ] - [ -0.0003423200000000, 0.0000000000000000, -0.0000078500000000 ] - [ 0.0012219100000000, -0.0132675500000000, -0.0114328400000000 ] - [ 0.0018093400000000, -0.0006642400000000, 0.0051750500000000 ] - [ 0.0021007500000000, 0.0000000000000000, 0.0010500500000000 ] - [ 0.0018093400000000, 0.0006642400000000, 0.0051750500000000 ] - [ 0.0007457600000000, 0.0008729900000000, 0.0008575900000000 ] - [ 0.0002889700000000, 0.0000000000000000, 0.0001409300000000 ] - [ 0.0007457600000000, -0.0008729900000000, 0.0008575900000000 ] - [ 0.0034275400000000, -0.0006257200000000, -0.0007818900000000 ] - [ 0.0026609900000000, 0.0000000000000000, 0.0000066000000000 ] - [ 0.0034275400000000, 0.0006257200000000, -0.0007818900000000 ] - [ 0.0007491800000000, -0.0142811100000000, -0.0108039500000000 ] - [ 0.0002787900000000, 0.0000000000000000, 0.0009980800000000 ] - [ 0.0007491800000000, 0.0142811100000000, -0.0108039500000000 ] - [ -0.0005272400000000, -0.0000026700000000, -0.0036543400000000 ] - [ -0.0005238500000000, 0.0000000000000000, -0.0033677500000000 ] - [ -0.0005272400000000, 0.0000026700000000, -0.0036543400000000 ] - [ 0.0025651600000000, -0.0000409800000000, -0.0001091800000000 ] - [ 0.0025613700000000, 0.0000000000000000, 0.0000389700000000 ] - [ 0.0025651600000000, 0.0000409800000000, -0.0001091800000000 ] - [ -0.0004327300000000, -0.0003729900000000, -0.0037151000000000 ] - [ -0.0004919300000000, 0.0000000000000000, -0.0025796100000000 ] - [ -0.0004327300000000, 0.0003729900000000, -0.0037151000000000 ] - [ 0.0014382000000000, -0.0006437600000000, -0.0002442100000000 ] - [ 0.0021808200000000, 0.0000000000000000, 0.0005837900000000 ] - [ 0.0014382000000000, 0.0006437600000000, -0.0002442100000000 ] - [ 0.0000876000000000, -0.0002030100000000, -0.0029662700000000 ] - [ 0.0001008400000000, 0.0000000000000000, -0.0022612900000000 ] - [ 0.0000876000000000, 0.0002030100000000, -0.0029662700000000 ] - [ 0.0027729200000000, 0.0000189500000000, -0.0010266800000000 ] - [ 0.0028175100000000, 0.0000000000000000, -0.0008585600000000 ] - [ 0.0027729200000000, -0.0000189500000000, -0.0010266800000000 ] - [ -0.0002816900000000, 0.0000000200000000, -0.0034991900000000 ] - [ -0.0002759300000000, 0.0000000000000000, -0.0031298500000000 ] - [ -0.0002816900000000, -0.0000000200000000, -0.0034991900000000 ] - [ 0.0000290900000000, 0.0004284600000000, -0.0007477700000000 ] - [ 0.0009314500000000, 0.0000000000000000, -0.0001010100000000 ] - [ 0.0000290900000000, -0.0004284600000000, -0.0007477700000000 ] - [ 0.0003143500000000, 0.0003365100000000, -0.0038390900000000 ] - [ 0.0004521600000000, 0.0000000000000000, -0.0023920900000000 ] - [ 0.0003143500000000, -0.0003365100000000, -0.0038390900000000 ] - [ 0.0024888100000000, 0.0000278400000000, -0.0007797900000000 ] - [ 0.0024509800000000, 0.0000000000000000, -0.0006142700000000 ] - [ 0.0024888100000000, -0.0000278400000000, -0.0007797900000000 ] - [ -0.0001153300000000, 0.0001369200000000, -0.0038141200000000 ] - [ -0.0001260500000000, 0.0000000000000000, -0.0031202100000000 ] - [ -0.0001153300000000, -0.0001369200000000, -0.0038141200000000 ] - [ 0.0022735800000000, -0.0000538300000000, -0.0004746800000000 ] - [ 0.0023044600000000, 0.0000000000000000, -0.0003207300000000 ] - [ 0.0022735800000000, 0.0000538300000000, -0.0004746800000000 ] - [ 0.0036727400000000, 0.0003867400000000, -0.0004326200000000 ] - [ 0.0029069500000000, 0.0000000000000000, 0.0003063900000000 ] - [ 0.0036727400000000, -0.0003867400000000, -0.0004326200000000 ] - [ 0.0054473400000000, 0.0000000000000000, -0.0049834600000000 ] - [ 0.0055245300000000, -0.0007745300000000, -0.0034371900000000 ] - [ 0.0055245300000000, 0.0007745300000000, -0.0034371900000000 ] - [ 0.0046440000000000, 0.0000000000000000, -0.0040420200000000 ] - [ 0.0046475400000000, -0.0001405400000000, -0.0039526500000000 ] - [ 0.0046475400000000, 0.0001405400000000, -0.0039526500000000 ] - [ 0.0009497000000000, 0.0000000000000000, 0.0533386200000000 ] - [ 0.0047456800000000, 0.0009708600000000, -0.0030046400000000 ] - [ 0.0047456800000000, -0.0009708600000000, -0.0030046400000000 ] - [ 0.0069081700000000, 0.0000000000000000, -0.0012617700000000 ] - [ 0.0069075400000000, 0.0001247400000000, -0.0011988700000000 ] - [ 0.0069075400000000, -0.0001247400000000, -0.0011988700000000 ] - [ 0.0046455700000000, 0.0000000000000000, -0.0061560700000000 ] - [ 0.0047294000000000, -0.0026797600000000, -0.0054968100000000 ] - [ 0.0047294000000000, 0.0026797600000000, -0.0054968100000000 ] - [ 0.0051969300000000, 0.0000000000000000, -0.0047560800000000 ] - [ 0.0052017900000000, -0.0001598300000000, -0.0046732500000000 ] - [ 0.0052017900000000, 0.0001598300000000, -0.0046732500000000 ] - [ 0.0069051800000000, 0.0000000000000000, 0.0036501300000000 ] - [ 0.0069041000000000, 0.0001716500000000, 0.0037085600000000 ] - [ 0.0069041000000000, -0.0001716500000000, 0.0037085600000000 ] - [ -0.0046280600000000, 0.0000000000000000, -0.0014595100000000 ] - [ -0.0006279900000000, -0.0010361200000000, -0.0010897200000000 ] - [ -0.0006279900000000, 0.0010361200000000, -0.0010897200000000 ] - [ -0.0030962900000000, 0.0000000000000000, -0.0031395800000000 ] - [ -0.0011680300000000, 0.0009640600000000, -0.0013215900000000 ] - [ -0.0011680300000000, -0.0009640600000000, -0.0013215900000000 ] - [ -0.0006407600000000, 0.0000000000000000, 0.0009621000000000 ] - [ -0.0006540100000000, 0.0002606200000000, 0.0004858800000000 ] - [ -0.0006540100000000, -0.0002606200000000, 0.0004858800000000 ] - [ 0.0044147400000000, 0.0000000000000000, -0.0005821200000000 ] - [ 0.0006474000000000, 0.0008221100000000, -0.0013529700000000 ] - [ 0.0006474000000000, -0.0008221100000000, -0.0013529700000000 ] - [ -0.0003369300000000, 0.0000000000000000, 0.0012022100000000 ] - [ -0.0003262400000000, 0.0002775000000000, 0.0007207500000000 ] - [ -0.0003262400000000, -0.0002775000000000, 0.0007207500000000 ] - [ 0.0000969300000000, 0.0000000000000000, 0.0009172500000000 ] - [ 0.0000943800000000, -0.0000002500000000, 0.0008320900000000 ] - [ 0.0000943800000000, 0.0000002500000000, 0.0008320900000000 ] - [ -0.0006145500000000, 0.0000000000000000, 0.0006646100000000 ] - [ -0.0006110900000000, 0.0000013700000000, 0.0005853200000000 ] - [ -0.0006110900000000, -0.0000013700000000, 0.0005853200000000 ] - [ -0.0097292100000000, -0.0001410900000000, 0.0002153300000000 ] - [ -0.0096694500000000, 0.0000000000000000, -0.0006610700000000 ] - [ -0.0097292100000000, 0.0001410900000000, 0.0002153300000000 ] - [ -0.0111598400000000, -0.0013694300000000, 0.0057407200000000 ] - [ -0.0111847600000000, 0.0000000000000000, 0.0050684600000000 ] - [ -0.0111598400000000, 0.0013694300000000, 0.0057407200000000 ] - [ -0.0022148800000000, -0.0024050500000000, 0.0174544200000000 ] - [ -0.0033882000000000, 0.0000000000000000, 0.0086013200000000 ] - [ -0.0022148800000000, 0.0024050500000000, 0.0174544200000000 ] - [ -0.0057190500000000, 0.0000684300000000, 0.0003944900000000 ] - [ -0.0062554700000000, 0.0000000000000000, 0.0025089600000000 ] - [ -0.0057190500000000, -0.0000684300000000, 0.0003944900000000 ] - [ -0.0059041800000000, 0.0019901600000000, 0.0134030900000000 ] - [ -0.0063550400000000, 0.0000000000000000, 0.0051663800000000 ] - [ -0.0059041800000000, -0.0019901600000000, 0.0134030900000000 ] - [ -0.0076798600000000, 0.0016399000000000, 0.0047499500000000 ] - [ -0.0075457000000000, 0.0000000000000000, 0.0042255000000000 ] - [ -0.0076798600000000, -0.0016399000000000, 0.0047499500000000 ] - [ -0.0064810200000000, -0.0011624600000000, -0.0165995900000000 ] - [ -0.0064804000000000, 0.0000000000000000, 0.0001530000000000 ] - [ -0.0064810200000000, 0.0011624600000000, -0.0165995900000000 ] - [ -0.0069374000000000, 0.0001259400000000, 0.0066094300000000 ] - [ -0.0069483500000000, 0.0000000000000000, 0.0060091200000000 ] - [ -0.0069374000000000, -0.0001259400000000, 0.0066094300000000 ] - [ -0.0086301800000000, -0.0001005300000000, 0.0048280700000000 ] - [ -0.0086714000000000, 0.0000000000000000, 0.0042391200000000 ] - [ -0.0086301800000000, 0.0001005300000000, 0.0048280700000000 ] - [ -0.0068733300000000, 0.0001405300000000, 0.0078774600000000 ] - [ -0.0068975100000000, 0.0000000000000000, 0.0071944600000000 ] - [ -0.0068733300000000, -0.0001405300000000, 0.0078774600000000 ]- atom: 88 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005584200000000, 0.0000000000000000, -0.0000935600000000 ] - [ -0.0005572600000000, -0.0000024000000000, -0.0000875900000000 ] - [ -0.0005572600000000, 0.0000024000000000, -0.0000875900000000 ] - [ -0.0009071600000000, 0.0000000000000000, -0.0022749500000000 ] - [ -0.0002440100000000, -0.0002660400000000, -0.0002468900000000 ] - [ -0.0002440100000000, 0.0002660400000000, -0.0002468900000000 ] - [ 0.0009888100000000, 0.0000000000000000, 0.0018517500000000 ] - [ 0.0001381100000000, 0.0003235300000000, 0.0006498000000000 ] - [ 0.0001381100000000, -0.0003235300000000, 0.0006498000000000 ] - [ 0.0044835100000000, 0.0000000000000000, -0.0036569100000000 ] - [ 0.0044866800000000, -0.0000045200000000, -0.0036570900000000 ] - [ 0.0044866800000000, 0.0000045200000000, -0.0036570900000000 ] - [ 0.0092204400000000, 0.0000000000000000, -0.0033798800000000 ] - [ 0.0096051800000000, 0.0002449500000000, -0.0032549000000000 ] - [ 0.0096051800000000, -0.0002449500000000, -0.0032549000000000 ] - [ 0.0015732800000000, 0.0000000000000000, -0.0072690200000000 ] - [ 0.0014239400000000, -0.0000485200000000, -0.0072483300000000 ] - [ 0.0014239400000000, 0.0000485200000000, -0.0072483300000000 ] - [ -0.0006504700000000, -0.0000029100000000, -0.0012066600000000 ] - [ -0.0006504300000000, 0.0000000000000000, -0.0012246100000000 ] - [ -0.0006504700000000, 0.0000029100000000, -0.0012066600000000 ] - [ 0.0020042400000000, -0.0000004700000000, 0.0002807500000000 ] - [ 0.0019941300000000, 0.0000000000000000, 0.0002794700000000 ] - [ 0.0020042400000000, 0.0000004700000000, 0.0002807500000000 ] - [ -0.0002993800000000, -0.0000032700000000, -0.0020134000000000 ] - [ -0.0003193200000000, 0.0000000000000000, -0.0019697000000000 ] - [ -0.0002993800000000, 0.0000032700000000, -0.0020134000000000 ] - [ 0.0019196300000000, -0.0000022100000000, 0.0000793900000000 ] - [ 0.0019293900000000, 0.0000000000000000, 0.0000793100000000 ] - [ 0.0019196300000000, 0.0000022100000000, 0.0000793900000000 ] - [ -0.0001447900000000, 0.0000138200000000, -0.0011039400000000 ] - [ -0.0000740000000000, 0.0000000000000000, -0.0011384600000000 ] - [ -0.0001447900000000, -0.0000138200000000, -0.0011039400000000 ] - [ 0.0022848700000000, -0.0000074800000000, -0.0000639800000000 ] - [ 0.0022840700000000, 0.0000000000000000, -0.0000858300000000 ] - [ 0.0022848700000000, 0.0000074800000000, -0.0000639800000000 ] - [ 0.0003488700000000, -0.0000027600000000, -0.0011613900000000 ] - [ 0.0003474300000000, 0.0000000000000000, -0.0011768000000000 ] - [ 0.0003488700000000, 0.0000027600000000, -0.0011613900000000 ] - [ -0.0046445500000000, -0.0012856100000000, -0.0014426700000000 ] - [ -0.0007022400000000, 0.0000000000000000, -0.0023350700000000 ] - [ -0.0046445500000000, 0.0012856100000000, -0.0014426700000000 ] - [ 0.0024174000000000, 0.0004200800000000, 0.0000456300000000 ] - [ 0.0024880200000000, 0.0000000000000000, 0.0003449700000000 ] - [ 0.0024174000000000, -0.0004200800000000, 0.0000456300000000 ] - [ -0.0004091000000000, -0.0000107100000000, -0.0010243200000000 ] - [ -0.0004541400000000, 0.0000000000000000, -0.0011285300000000 ] - [ -0.0004091000000000, 0.0000107100000000, -0.0010243200000000 ] - [ 0.0026019300000000, -0.0000030600000000, 0.0004705800000000 ] - [ 0.0026032700000000, 0.0000000000000000, 0.0004662500000000 ] - [ 0.0026019300000000, 0.0000030600000000, 0.0004705800000000 ] - [ 0.0000466900000000, -0.0000584300000000, -0.0013828000000000 ] - [ 0.0001002400000000, 0.0000000000000000, -0.0015166000000000 ] - [ 0.0000466900000000, 0.0000584300000000, -0.0013828000000000 ] - [ 0.0153152200000000, 0.0132262900000000, -0.0013777000000000 ] - [ 0.0036867500000000, 0.0000000000000000, -0.0002819100000000 ] - [ 0.0153152200000000, -0.0132262900000000, -0.0013777000000000 ] - [ 0.0015734200000000, -0.0002781700000000, -0.0010314400000000 ] - [ -0.0002086000000000, 0.0000000000000000, -0.0013624400000000 ] - [ 0.0015734200000000, 0.0002781700000000, -0.0010314400000000 ] - [ 0.0016187200000000, 0.0000867800000000, -0.0001487300000000 ] - [ 0.0015522800000000, 0.0000000000000000, -0.0001679000000000 ] - [ 0.0016187200000000, -0.0000867800000000, -0.0001487300000000 ] - [ 0.0016038700000000, 0.0001460000000000, -0.0008747400000000 ] - [ 0.0004880900000000, 0.0000000000000000, -0.0006070300000000 ] - [ 0.0016038700000000, -0.0001460000000000, -0.0008747400000000 ] - [ 0.0160614600000000, -0.0128075800000000, -0.0007373700000000 ] - [ 0.0024282600000000, 0.0000000000000000, -0.0001548700000000 ] - [ 0.0160614600000000, 0.0128075800000000, -0.0007373700000000 ] - [ -0.0033846500000000, 0.0012071600000000, -0.0001284600000000 ] - [ -0.0001875400000000, 0.0000000000000000, -0.0018790800000000 ] - [ -0.0033846500000000, -0.0012071600000000, -0.0001284600000000 ] - [ 0.0024728900000000, -0.0004936000000000, 0.0005847300000000 ] - [ 0.0024051500000000, 0.0000000000000000, 0.0002073000000000 ] - [ 0.0024728900000000, 0.0004936000000000, 0.0005847300000000 ] - [ 0.0022139700000000, -0.0001883600000000, 0.0000435200000000 ] - [ 0.0022915100000000, 0.0000000000000000, 0.0002424900000000 ] - [ 0.0022139700000000, 0.0001883600000000, 0.0000435200000000 ] - [ 0.0055307000000000, 0.0000000000000000, -0.0034345300000000 ] - [ 0.0055201500000000, -0.0000192000000000, -0.0034383300000000 ] - [ 0.0055201500000000, 0.0000192000000000, -0.0034383300000000 ] - [ 0.0035169900000000, 0.0000000000000000, -0.0032266100000000 ] - [ 0.0045515800000000, -0.0002121300000000, -0.0033508100000000 ] - [ 0.0045515800000000, 0.0002121300000000, -0.0033508100000000 ] - [ 0.0049460900000000, 0.0000000000000000, -0.0025652900000000 ] - [ 0.0049467400000000, -0.0000070500000000, -0.0025647000000000 ] - [ 0.0049467400000000, 0.0000070500000000, -0.0025647000000000 ] - [ -0.0474196100000000, 0.0000000000000000, -0.0002560900000000 ] - [ 0.0081484500000000, 0.0015840300000000, -0.0007196500000000 ] - [ 0.0081484500000000, -0.0015840300000000, -0.0007196500000000 ] - [ 0.0047164600000000, 0.0000000000000000, -0.0043002900000000 ] - [ 0.0047276700000000, -0.0000165700000000, -0.0043095800000000 ] - [ 0.0047276700000000, 0.0000165700000000, -0.0043095800000000 ] - [ 0.0071077700000000, 0.0000000000000000, -0.0040222700000000 ] - [ 0.0053523100000000, -0.0001265000000000, -0.0039955200000000 ] - [ 0.0053523100000000, 0.0001265000000000, -0.0039955200000000 ] - [ 0.0102938200000000, 0.0000000000000000, 0.0045263800000000 ] - [ 0.0093552000000000, -0.0006356000000000, 0.0046636800000000 ] - [ 0.0093552000000000, 0.0006356000000000, 0.0046636800000000 ] - [ 0.0004989400000000, 0.0000000000000000, 0.0001279300000000 ] - [ 0.0004909500000000, 0.0000263400000000, 0.0001003300000000 ] - [ 0.0004909500000000, -0.0000263400000000, 0.0001003300000000 ] - [ -0.0003101100000000, 0.0000000000000000, 0.0000536800000000 ] - [ -0.0003094100000000, 0.0000055200000000, 0.0000571700000000 ] - [ -0.0003094100000000, -0.0000055200000000, 0.0000571700000000 ] - [ -0.0004066900000000, 0.0000000000000000, -0.0001124000000000 ] - [ -0.0004081700000000, -0.0000058600000000, -0.0001275600000000 ] - [ -0.0004081700000000, 0.0000058600000000, -0.0001275600000000 ] - [ -0.0000291400000000, 0.0000000000000000, 0.0000118300000000 ] - [ -0.0000299700000000, 0.0000045300000000, 0.0000148100000000 ] - [ -0.0000299700000000, -0.0000045300000000, 0.0000148100000000 ] - [ -0.0005837700000000, 0.0000000000000000, -0.0001526800000000 ] - [ -0.0005729700000000, 0.0000614000000000, -0.0000286900000000 ] - [ -0.0005729700000000, -0.0000614000000000, -0.0000286900000000 ] - [ -0.0009201000000000, 0.0000000000000000, 0.0052714400000000 ] - [ 0.0000574900000000, -0.0006741600000000, 0.0008552600000000 ] - [ 0.0000574900000000, 0.0006741600000000, 0.0008552600000000 ] - [ -0.0006143900000000, 0.0000000000000000, -0.0036224600000000 ] - [ -0.0003597200000000, 0.0006811400000000, -0.0006789100000000 ] - [ -0.0003597200000000, -0.0006811400000000, -0.0006789100000000 ] - [ -0.0276113300000000, 0.0005961100000000, -0.0048772500000000 ] - [ -0.0099489700000000, 0.0000000000000000, -0.0032986200000000 ] - [ -0.0276113300000000, -0.0005961100000000, -0.0048772500000000 ] - [ -0.0105379200000000, 0.0000346500000000, 0.0041369200000000 ] - [ -0.0111158200000000, 0.0000000000000000, 0.0049652400000000 ] - [ -0.0105379200000000, -0.0000346500000000, 0.0041369200000000 ] - [ -0.0039034100000000, 0.0000434300000000, 0.0087930000000000 ] - [ -0.0035152000000000, 0.0000000000000000, 0.0086024400000000 ] - [ -0.0039034100000000, -0.0000434300000000, 0.0087930000000000 ] - [ -0.0059938400000000, 0.0000015500000000, 0.0047558500000000 ] - [ -0.0059880400000000, 0.0000000000000000, 0.0047619800000000 ] - [ -0.0059938400000000, -0.0000015500000000, 0.0047558500000000 ] - [ -0.0064014600000000, 0.0000133900000000, 0.0056507800000000 ] - [ -0.0064096600000000, 0.0000000000000000, 0.0057042700000000 ] - [ -0.0064014600000000, -0.0000133900000000, 0.0056507800000000 ] - [ -0.0075222000000000, 0.0000134200000000, 0.0046570900000000 ] - [ -0.0075100000000000, 0.0000000000000000, 0.0047121500000000 ] - [ -0.0075222000000000, -0.0000134200000000, 0.0046570900000000 ] - [ -0.0067579700000000, 0.0000059500000000, 0.0036021600000000 ] - [ -0.0067593300000000, 0.0000000000000000, 0.0035848900000000 ] - [ -0.0067579700000000, -0.0000059500000000, 0.0036021600000000 ] - [ -0.0061253100000000, 0.0001942300000000, 0.0042574000000000 ] - [ -0.0067980700000000, 0.0000000000000000, 0.0047231600000000 ] - [ -0.0061253100000000, -0.0001942300000000, 0.0042574000000000 ] - [ 0.0086406900000000, 0.0018177400000000, 0.0029593600000000 ] - [ -0.0084472200000000, 0.0000000000000000, 0.0026410800000000 ] - [ 0.0086406900000000, -0.0018177400000000, 0.0029593600000000 ] - [ -0.0078104400000000, 0.0001329900000000, 0.0048233100000000 ] - [ -0.0071374600000000, 0.0000000000000000, 0.0051402200000000 ] - [ -0.0078104400000000, -0.0001329900000000, 0.0048233100000000 ]- atom: 88 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005110800000000, 0.0000000000000000, -0.0000370600000000 ] - [ -0.0005119500000000, 0.0000020000000000, -0.0000432600000000 ] - [ -0.0005119500000000, -0.0000020000000000, -0.0000432600000000 ] - [ 0.0007230200000000, 0.0000000000000000, 0.0024450800000000 ] - [ -0.0000114500000000, 0.0002641100000000, 0.0003586600000000 ] - [ -0.0000114500000000, -0.0002641100000000, 0.0003586600000000 ] - [ -0.0013981200000000, 0.0000000000000000, -0.0011285700000000 ] - [ -0.0004572700000000, -0.0003261800000000, -0.0000324700000000 ] - [ -0.0004572700000000, 0.0003261800000000, -0.0000324700000000 ] - [ 0.0044904300000000, 0.0000000000000000, -0.0037435600000000 ] - [ 0.0044880900000000, 0.0000071700000000, -0.0037434300000000 ] - [ 0.0044880900000000, -0.0000071700000000, -0.0037434300000000 ] - [ 0.0100553700000000, 0.0000000000000000, -0.0035150500000000 ] - [ 0.0096701200000000, -0.0002503600000000, -0.0036412300000000 ] - [ 0.0096701200000000, 0.0002503600000000, -0.0036412300000000 ] - [ 0.0011853600000000, 0.0000000000000000, -0.0071549300000000 ] - [ 0.0013341600000000, 0.0000534000000000, -0.0071779700000000 ] - [ 0.0013341600000000, -0.0000534000000000, -0.0071779700000000 ] - [ -0.0006433400000000, 0.0000031200000000, -0.0013979500000000 ] - [ -0.0006432200000000, 0.0000000000000000, -0.0013800200000000 ] - [ -0.0006433400000000, -0.0000031200000000, -0.0013979500000000 ] - [ 0.0019357200000000, 0.0000006200000000, 0.0002319400000000 ] - [ 0.0019408500000000, 0.0000000000000000, 0.0002330700000000 ] - [ 0.0019357200000000, -0.0000006200000000, 0.0002319400000000 ] - [ -0.0003384200000000, 0.0000041300000000, -0.0019366500000000 ] - [ -0.0003183800000000, 0.0000000000000000, -0.0019853600000000 ] - [ -0.0003384200000000, -0.0000041300000000, -0.0019366500000000 ] - [ 0.0019747200000000, 0.0000022200000000, 0.0000307300000000 ] - [ 0.0019674100000000, 0.0000000000000000, 0.0000303100000000 ] - [ 0.0019747200000000, -0.0000022200000000, 0.0000307300000000 ] - [ 0.0000463400000000, -0.0000141100000000, -0.0015608500000000 ] - [ -0.0000245600000000, 0.0000000000000000, -0.0015233200000000 ] - [ 0.0000463400000000, 0.0000141100000000, -0.0015608500000000 ] - [ 0.0022709900000000, 0.0000078600000000, -0.0001213200000000 ] - [ 0.0022736800000000, 0.0000000000000000, -0.0000985600000000 ] - [ 0.0022709900000000, -0.0000078600000000, -0.0001213200000000 ] - [ 0.0003377700000000, 0.0000031200000000, -0.0013074200000000 ] - [ 0.0003393400000000, 0.0000000000000000, -0.0012924500000000 ] - [ 0.0003377700000000, -0.0000031200000000, -0.0013074200000000 ] - [ 0.0036501900000000, 0.0012229200000000, -0.0023375600000000 ] - [ -0.0003078100000000, 0.0000000000000000, -0.0015336400000000 ] - [ 0.0036501900000000, -0.0012229200000000, -0.0023375600000000 ] - [ 0.0025323300000000, -0.0004108700000000, 0.0010275500000000 ] - [ 0.0024694700000000, 0.0000000000000000, 0.0007340700000000 ] - [ 0.0025323300000000, 0.0004108700000000, 0.0010275500000000 ] - [ -0.0005474600000000, 0.0000129900000000, -0.0012987400000000 ] - [ -0.0005015500000000, 0.0000000000000000, -0.0011882100000000 ] - [ -0.0005474600000000, -0.0000129900000000, -0.0012987400000000 ] - [ 0.0026115700000000, 0.0000035300000000, 0.0004120900000000 ] - [ 0.0026074700000000, 0.0000000000000000, 0.0004170900000000 ] - [ 0.0026115700000000, -0.0000035300000000, 0.0004120900000000 ] - [ 0.0002179900000000, 0.0000594500000000, -0.0016331500000000 ] - [ 0.0001636400000000, 0.0000000000000000, -0.0014955300000000 ] - [ 0.0002179900000000, -0.0000594500000000, -0.0016331500000000 ] - [ -0.0093706800000000, -0.0130140000000000, 0.0006634800000000 ] - [ 0.0021494600000000, 0.0000000000000000, -0.0004163800000000 ] - [ -0.0093706800000000, 0.0130140000000000, 0.0006634800000000 ] - [ -0.0021404200000000, 0.0002902700000000, -0.0018151200000000 ] - [ -0.0003546500000000, 0.0000000000000000, -0.0014719500000000 ] - [ -0.0021404200000000, -0.0002902700000000, -0.0018151200000000 ] - [ 0.0012002600000000, -0.0000854400000000, -0.0002157100000000 ] - [ 0.0012711200000000, 0.0000000000000000, -0.0001977300000000 ] - [ 0.0012002600000000, 0.0000854400000000, -0.0002157100000000 ] - [ -0.0007681700000000, -0.0001419000000000, -0.0000062500000000 ] - [ 0.0003471900000000, 0.0000000000000000, -0.0002935700000000 ] - [ -0.0007681700000000, 0.0001419000000000, -0.0000062500000000 ] - [ -0.0114282100000000, 0.0129951200000000, 0.0004211300000000 ] - [ 0.0023092000000000, 0.0000000000000000, -0.0001761400000000 ] - [ -0.0114282100000000, -0.0129951200000000, 0.0004211300000000 ] - [ 0.0031177600000000, -0.0012478400000000, -0.0040697500000000 ] - [ -0.0000640500000000, 0.0000000000000000, -0.0022610400000000 ] - [ 0.0031177600000000, 0.0012478400000000, -0.0040697500000000 ] - [ 0.0024005200000000, 0.0005042900000000, -0.0002182300000000 ] - [ 0.0024619300000000, 0.0000000000000000, 0.0001657400000000 ] - [ 0.0024005200000000, -0.0005042900000000, -0.0002182300000000 ] - [ 0.0026228900000000, 0.0001900800000000, 0.0004822900000000 ] - [ 0.0025416500000000, 0.0000000000000000, 0.0002799200000000 ] - [ 0.0026228900000000, -0.0001900800000000, 0.0004822900000000 ] - [ 0.0055235900000000, 0.0000000000000000, -0.0035015500000000 ] - [ 0.0055338100000000, 0.0000200900000000, -0.0034965200000000 ] - [ 0.0055338100000000, -0.0000200900000000, -0.0034965200000000 ] - [ 0.0057851600000000, 0.0000000000000000, -0.0035875900000000 ] - [ 0.0047473900000000, 0.0002086400000000, -0.0034510800000000 ] - [ 0.0047473900000000, -0.0002086400000000, -0.0034510800000000 ] - [ 0.0049477000000000, 0.0000000000000000, -0.0025942100000000 ] - [ 0.0049469200000000, 0.0000078300000000, -0.0025950600000000 ] - [ 0.0049469200000000, -0.0000078300000000, -0.0025950600000000 ] - [ 0.0614030200000000, 0.0000000000000000, -0.0009971900000000 ] - [ 0.0057204900000000, -0.0017050300000000, -0.0006219400000000 ] - [ 0.0057204900000000, 0.0017050300000000, -0.0006219400000000 ] - [ 0.0047223600000000, 0.0000000000000000, -0.0043694800000000 ] - [ 0.0047113700000000, 0.0000184000000000, -0.0043601200000000 ] - [ 0.0047113700000000, -0.0000184000000000, -0.0043601200000000 ] - [ 0.0032961300000000, 0.0000000000000000, -0.0040016000000000 ] - [ 0.0050513400000000, 0.0001360400000000, -0.0040053000000000 ] - [ 0.0050513400000000, -0.0001360400000000, -0.0040053000000000 ] - [ 0.0034692800000000, 0.0000000000000000, 0.0042142900000000 ] - [ 0.0044039500000000, 0.0006964000000000, 0.0040691000000000 ] - [ 0.0044039500000000, -0.0006964000000000, 0.0040691000000000 ] - [ 0.0003608700000000, 0.0000000000000000, 0.0000868200000000 ] - [ 0.0003686000000000, -0.0000269900000000, 0.0001161100000000 ] - [ 0.0003686000000000, 0.0000269900000000, 0.0001161100000000 ] - [ -0.0002958500000000, 0.0000000000000000, 0.0001266800000000 ] - [ -0.0002950100000000, -0.0000048600000000, 0.0001220700000000 ] - [ -0.0002950100000000, 0.0000048600000000, 0.0001220700000000 ] - [ -0.0003806700000000, 0.0000000000000000, -0.0002196600000000 ] - [ -0.0003810500000000, 0.0000032400000000, -0.0002098000000000 ] - [ -0.0003810500000000, -0.0000032400000000, -0.0002098000000000 ] - [ -0.0000430100000000, 0.0000000000000000, 0.0000868000000000 ] - [ -0.0000430500000000, -0.0000050900000000, 0.0000839100000000 ] - [ -0.0000430500000000, 0.0000050900000000, 0.0000839100000000 ] - [ -0.0005831900000000, 0.0000000000000000, 0.0002389100000000 ] - [ -0.0005928300000000, -0.0000634000000000, 0.0001088700000000 ] - [ -0.0005928300000000, 0.0000634000000000, 0.0001088700000000 ] - [ 0.0012336000000000, 0.0000000000000000, -0.0053129100000000 ] - [ 0.0001425100000000, 0.0006661900000000, -0.0007965400000000 ] - [ 0.0001425100000000, -0.0006661900000000, -0.0007965400000000 ] - [ -0.0007736400000000, 0.0000000000000000, 0.0031445600000000 ] - [ -0.0008781100000000, -0.0006865200000000, 0.0003548400000000 ] - [ -0.0008781100000000, 0.0006865200000000, 0.0003548400000000 ] - [ 0.0087259300000000, -0.0006621600000000, -0.0017552100000000 ] - [ -0.0089333900000000, 0.0000000000000000, -0.0033215600000000 ] - [ 0.0087259300000000, 0.0006621600000000, -0.0017552100000000 ] - [ -0.0118326800000000, -0.0000381000000000, 0.0062765400000000 ] - [ -0.0112483400000000, 0.0000000000000000, 0.0054220300000000 ] - [ -0.0118326800000000, 0.0000381000000000, 0.0062765400000000 ] - [ -0.0030228500000000, -0.0000500200000000, 0.0081648500000000 ] - [ -0.0034107100000000, 0.0000000000000000, 0.0083762800000000 ] - [ -0.0030228500000000, 0.0000500200000000, 0.0081648500000000 ] - [ -0.0059451300000000, -0.0000039300000000, 0.0050806600000000 ] - [ -0.0059456100000000, 0.0000000000000000, 0.0050766800000000 ] - [ -0.0059451300000000, 0.0000039300000000, 0.0050806600000000 ] - [ -0.0063897800000000, -0.0000163800000000, 0.0058883400000000 ] - [ -0.0063780100000000, 0.0000000000000000, 0.0058248900000000 ] - [ -0.0063897800000000, 0.0000163800000000, 0.0058883400000000 ] - [ -0.0075213400000000, -0.0000124900000000, 0.0048906800000000 ] - [ -0.0075352600000000, 0.0000000000000000, 0.0048359000000000 ] - [ -0.0075213400000000, 0.0000124900000000, 0.0048906800000000 ] - [ -0.0067539200000000, -0.0000038600000000, 0.0036757200000000 ] - [ -0.0067549700000000, 0.0000000000000000, 0.0036927200000000 ] - [ -0.0067539200000000, 0.0000038600000000, 0.0036757200000000 ] - [ -0.0077820100000000, -0.0002082700000000, 0.0046626800000000 ] - [ -0.0071116400000000, 0.0000000000000000, 0.0042202100000000 ] - [ -0.0077820100000000, 0.0002082700000000, 0.0046626800000000 ] - [ -0.0262125800000000, -0.0020745500000000, 0.0020298100000000 ] - [ -0.0090770200000000, 0.0000000000000000, 0.0023632600000000 ] - [ -0.0262125800000000, 0.0020745500000000, 0.0020298100000000 ] - [ -0.0061869000000000, -0.0001549300000000, 0.0055036900000000 ] - [ -0.0068618000000000, 0.0000000000000000, 0.0051692300000000 ] - [ -0.0061869000000000, 0.0001549300000000, 0.0055036900000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005353200000000, 0.0007388800000000, -0.0000644400000000 ] - [ -0.0006294600000000, -0.0003660600000000, -0.0003690400000000 ] - [ -0.0004419600000000, -0.0003684900000000, 0.0002376900000000 ] - [ -0.0000730300000000, 0.0058670600000000, 0.0001105800000000 ] - [ -0.0012029400000000, -0.0020860700000000, -0.0013606100000000 ] - [ 0.0009297200000000, -0.0020956300000000, 0.0014608000000000 ] - [ -0.0002053900000000, 0.0056206900000000, 0.0003729000000000 ] - [ 0.0007726800000000, -0.0018517200000000, -0.0011615300000000 ] - [ -0.0010759100000000, -0.0018643700000000, 0.0017725800000000 ] - [ 0.0044869400000000, -0.0012750300000000, -0.0037001600000000 ] - [ 0.0045281100000000, 0.0006888500000000, -0.0035348800000000 ] - [ 0.0044470200000000, 0.0006909800000000, -0.0038645400000000 ] - [ 0.0096348600000000, -0.0099374000000000, -0.0034541300000000 ] - [ 0.0093539400000000, 0.0056958700000000, -0.0015184800000000 ] - [ 0.0099177000000000, 0.0057195800000000, -0.0053691200000000 ] - [ 0.0013793500000000, -0.0044926800000000, -0.0072188200000000 ] - [ 0.0014569000000000, 0.0022321300000000, -0.0067945900000000 ] - [ 0.0013023600000000, 0.0022509100000000, -0.0076346700000000 ] - [ -0.0007172400000000, -0.0001118100000000, -0.0013674600000000 ] - [ -0.0006469900000000, 0.0003415500000000, -0.0013032200000000 ] - [ -0.0005767900000000, -0.0001115200000000, -0.0012378100000000 ] - [ 0.0021365000000000, -0.0001140500000000, 0.0005648700000000 ] - [ 0.0019696200000000, 0.0002315700000000, 0.0002570400000000 ] - [ 0.0018063300000000, -0.0001132100000000, -0.0000529600000000 ] - [ -0.0001322100000000, -0.0002968200000000, 0.0001260800000000 ] - [ -0.0003185500000000, 0.0005941800000000, -0.0019744300000000 ] - [ -0.0005054500000000, -0.0002939300000000, -0.0040907300000000 ] - [ 0.0018788000000000, -0.0001515300000000, 0.0004129600000000 ] - [ 0.0019469100000000, 0.0002880000000000, 0.0000554100000000 ] - [ 0.0020129300000000, -0.0001503000000000, -0.0003041100000000 ] - [ -0.0005420600000000, -0.0003409400000000, 0.0026928500000000 ] - [ -0.0000507300000000, 0.0012984100000000, -0.0013186500000000 ] - [ 0.0004411200000000, -0.0003379800000000, -0.0053463800000000 ] - [ 0.0023858200000000, -0.0001596800000000, -0.0004313900000000 ] - [ 0.0022807500000000, 0.0003143900000000, -0.0000929500000000 ] - [ 0.0021750200000000, -0.0001579200000000, 0.0002482500000000 ] - [ 0.0003209800000000, -0.0001214400000000, -0.0012371300000000 ] - [ 0.0003435400000000, 0.0002424700000000, -0.0012342600000000 ] - [ 0.0003665000000000, -0.0001205100000000, -0.0012286700000000 ] - [ -0.0028808100000000, 0.0127343300000000, -0.0348517300000000 ] - [ -0.0005086600000000, 0.0056870400000000, -0.0019878100000000 ] - [ 0.0018428800000000, 0.0128085900000000, 0.0306217200000000 ] - [ 0.0042114600000000, -0.0009782900000000, -0.0014797200000000 ] - [ 0.0024875700000000, 0.0019713700000000, 0.0005342600000000 ] - [ 0.0007712000000000, -0.0009517900000000, 0.0025688000000000 ] - [ -0.0005255200000000, -0.0003304300000000, -0.0030029300000000 ] - [ -0.0004777000000000, 0.0006599100000000, -0.0011609800000000 ] - [ -0.0004293100000000, -0.0003232800000000, 0.0007019300000000 ] - [ 0.0025059700000000, -0.0001598100000000, 0.0001172900000000 ] - [ 0.0026044000000000, 0.0003100700000000, 0.0004411800000000 ] - [ 0.0027046400000000, -0.0001581900000000, 0.0007676200000000 ] - [ -0.0000959200000000, -0.0004691500000000, -0.0052553800000000 ] - [ 0.0001312700000000, 0.0014775700000000, -0.0015218100000000 ] - [ 0.0003578200000000, -0.0004656800000000, 0.0022210400000000 ] - [ 0.0316465000000000, 0.0104088700000000, -0.0034925700000000 ] - [ 0.0029751900000000, 0.0057931200000000, -0.0003544300000000 ] - [ -0.0254265600000000, 0.0104918600000000, 0.0027607000000000 ] - [ 0.0004805900000000, -0.0013845000000000, -0.0063682800000000 ] - [ -0.0002804100000000, 0.0027105800000000, -0.0014254900000000 ] - [ -0.0010280400000000, -0.0013480400000000, 0.0035272900000000 ] - [ 0.0034481000000000, -0.0005459900000000, 0.0017638200000000 ] - [ 0.0014200300000000, 0.0009537600000000, -0.0001784300000000 ] - [ -0.0006140400000000, -0.0005386700000000, -0.0021323900000000 ] - [ 0.0011536600000000, -0.0008748800000000, 0.0047756600000000 ] - [ 0.0004201600000000, 0.0016173900000000, -0.0004418900000000 ] - [ -0.0003147200000000, -0.0008569200000000, -0.0056849900000000 ] - [ -0.0208793400000000, 0.0094592800000000, 0.0008351700000000 ] - [ 0.0023252000000000, 0.0056438200000000, -0.0001646700000000 ] - [ 0.0254756300000000, 0.0095374600000000, -0.0011461900000000 ] - [ 0.0007559000000000, 0.0087633300000000, 0.0270593500000000 ] - [ -0.0001249100000000, 0.0041217300000000, -0.0020202700000000 ] - [ -0.0009895100000000, 0.0088453900000000, -0.0310073700000000 ] - [ 0.0006450200000000, -0.0008658300000000, -0.0020505100000000 ] - [ 0.0024248400000000, 0.0015787000000000, 0.0001812800000000 ] - [ 0.0042043100000000, -0.0008413600000000, 0.0024305400000000 ] - [ 0.0006533400000000, -0.0005973400000000, 0.0021534600000000 ] - [ 0.0024094900000000, 0.0011773100000000, 0.0002653100000000 ] - [ 0.0041749500000000, -0.0005860000000000, -0.0016412300000000 ] - [ 0.0055268200000000, -0.0011767200000000, -0.0034677700000000 ] - [ 0.0055488600000000, 0.0006362600000000, -0.0036642400000000 ] - [ 0.0055051600000000, 0.0006405100000000, -0.0032735000000000 ] - [ 0.0046482500000000, -0.0093954700000000, -0.0033997500000000 ] - [ 0.0048170400000000, 0.0054232200000000, -0.0064302000000000 ] - [ 0.0044829400000000, 0.0054354800000000, -0.0004021600000000 ] - [ 0.0049469400000000, -0.0010173100000000, -0.0025804100000000 ] - [ 0.0049309100000000, 0.0005077200000000, -0.0024560100000000 ] - [ 0.0049628200000000, 0.0005107500000000, -0.0027039900000000 ] - [ 0.0066769300000000, -0.1754249400000000, -0.0006144800000000 ] - [ 0.0052650500000000, 0.0460013400000000, -0.0015469200000000 ] - [ 0.0085548000000000, 0.0455433200000000, 0.0001650900000000 ] - [ 0.0047194400000000, -0.0009514400000000, -0.0043324200000000 ] - [ 0.0047348500000000, 0.0004754100000000, -0.0045000500000000 ] - [ 0.0047044300000000, 0.0004802100000000, -0.0041679000000000 ] - [ 0.0052015600000000, -0.0038907800000000, -0.0039722300000000 ] - [ 0.0053094800000000, 0.0019130100000000, -0.0049295100000000 ] - [ 0.0050966900000000, 0.0019360600000000, -0.0030731300000000 ] - [ 0.0068918700000000, -0.0179799000000000, 0.0043636900000000 ] - [ 0.0077552100000000, 0.0104403100000000, 0.0044064700000000 ] - [ 0.0060246600000000, 0.0104814700000000, 0.0043293800000000 ] - [ 0.0004313400000000, 0.0014804900000000, 0.0001123800000000 ] - [ 0.0006775400000000, -0.0007320800000000, -0.0005155800000000 ] - [ 0.0001865700000000, -0.0007372100000000, 0.0007329600000000 ] - [ -0.0003036300000000, 0.0005150900000000, 0.0000890100000000 ] - [ -0.0003192400000000, -0.0002561300000000, 0.0000776600000000 ] - [ -0.0002865600000000, -0.0002587800000000, 0.0000998600000000 ] - [ -0.0003983000000000, 0.0015051400000000, -0.0001749300000000 ] - [ -0.0006342500000000, -0.0007477600000000, 0.0005335600000000 ] - [ -0.0001617900000000, -0.0007536400000000, -0.0008699700000000 ] - [ -0.0000349700000000, 0.0005003000000000, 0.0000482600000000 ] - [ -0.0000195800000000, -0.0002496900000000, 0.0000415200000000 ] - [ -0.0000511200000000, -0.0002509100000000, 0.0000559300000000 ] - [ -0.0005788300000000, 0.0014919400000000, 0.0000327500000000 ] - [ -0.0003385200000000, -0.0007353400000000, 0.0007544800000000 ] - [ -0.0008199400000000, -0.0007422600000000, -0.0006743500000000 ] - [ 0.0001900500000000, 0.0129019700000000, -0.0000788800000000 ] - [ -0.0022099300000000, -0.0048730000000000, 0.0037594000000000 ] - [ 0.0023686100000000, -0.0048914600000000, -0.0036728400000000 ] - [ -0.0007074300000000, 0.0125236200000000, -0.0002776900000000 ] - [ 0.0021663200000000, -0.0043930600000000, 0.0026965400000000 ] - [ -0.0033553100000000, -0.0044198200000000, -0.0030023200000000 ] - [ -0.0118390000000000, 0.0071086700000000, -0.0035232000000000 ] - [ -0.0094469200000000, -0.0162024200000000, -0.0033118600000000 ] - [ -0.0071789800000000, 0.0070241400000000, -0.0030990700000000 ] - [ -0.0086928900000000, 0.0038231800000000, -0.0146117300000000 ] - [ -0.0111774400000000, -0.0087728400000000, 0.0051522000000000 ] - [ -0.0136666700000000, 0.0037829500000000, 0.0250058200000000 ] - [ -0.0044124500000000, 0.0020305700000000, 0.0031302100000000 ] - [ -0.0034650400000000, -0.0040273900000000, 0.0084804900000000 ] - [ -0.0025186300000000, 0.0020041700000000, 0.0138753200000000 ] - [ -0.0061281500000000, 0.0004494600000000, 0.0032473800000000 ] - [ -0.0059685900000000, -0.0010601300000000, 0.0049133400000000 ] - [ -0.0058120500000000, 0.0004485300000000, 0.0065854400000000 ] - [ -0.0063953800000000, 0.0004217300000000, 0.0067455300000000 ] - [ -0.0063940400000000, -0.0008444800000000, 0.0057651900000000 ] - [ -0.0063958600000000, 0.0004186700000000, 0.0047773800000000 ] - [ -0.0074856700000000, 0.0004387400000000, 0.0063313800000000 ] - [ -0.0075229200000000, -0.0010232400000000, 0.0047810000000000 ] - [ -0.0075592300000000, 0.0004338900000000, 0.0032199000000000 ] - [ -0.0067225700000000, 0.0004266000000000, 0.0025335500000000 ] - [ -0.0067572700000000, -0.0008500400000000, 0.0036368200000000 ] - [ -0.0067899700000000, 0.0004216000000000, 0.0047494400000000 ] - [ -0.0079679600000000, 0.0036514900000000, 0.0224867400000000 ] - [ -0.0069568500000000, -0.0079728400000000, 0.0045141400000000 ] - [ -0.0059506800000000, 0.0036144700000000, -0.0134661300000000 ] - [ -0.0069615600000000, 0.0049419000000000, 0.0052417900000000 ] - [ -0.0087673200000000, -0.0384785800000000, 0.0025068500000000 ] - [ -0.0104442200000000, -0.0000640800000000, -0.0000383600000000 ] - [ -0.0065688400000000, 0.0018790900000000, 0.0093970400000000 ] - [ -0.0069990500000000, -0.0036844300000000, 0.0051633100000000 ] - [ -0.0074345800000000, 0.0018228900000000, 0.0008882500000000 ]- atom: 88 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0006969300000000, 0.0000000000000000, -0.0005804500000000 ] - [ -0.0006478000000000, -0.0001192200000000, -0.0004394000000000 ] - [ -0.0006478000000000, 0.0001192200000000, -0.0004394000000000 ] - [ -0.0031572200000000, 0.0000000000000000, 0.0001694900000000 ] - [ -0.0006367100000000, -0.0004571300000000, 0.0006438500000000 ] - [ -0.0006367100000000, 0.0004571300000000, 0.0006438500000000 ] - [ 0.0012869600000000, 0.0000000000000000, 0.0015338600000000 ] - [ 0.0003243900000000, -0.0004494500000000, 0.0008144300000000 ] - [ 0.0003243900000000, 0.0004494500000000, 0.0008144300000000 ] - [ 0.0045379700000000, 0.0000000000000000, -0.0029197200000000 ] - [ 0.0045300800000000, 0.0001637400000000, -0.0029918700000000 ] - [ 0.0045300800000000, -0.0001637400000000, -0.0029918700000000 ] - [ 0.0093750600000000, 0.0000000000000000, -0.0018410700000000 ] - [ 0.0092562500000000, 0.0027819700000000, -0.0022696700000000 ] - [ 0.0092562500000000, -0.0027819700000000, -0.0022696700000000 ] - [ 0.0014131800000000, 0.0000000000000000, -0.0070326100000000 ] - [ 0.0013944600000000, 0.0006257200000000, -0.0071914700000000 ] - [ 0.0013944600000000, -0.0006257200000000, -0.0071914700000000 ] - [ -0.0006541400000000, -0.0000011500000000, 0.0006861200000000 ] - [ -0.0006485600000000, 0.0000000000000000, 0.0003460500000000 ] - [ -0.0006541400000000, 0.0000011500000000, 0.0006861200000000 ] - [ 0.0021753500000000, 0.0000257300000000, 0.0008392300000000 ] - [ 0.0021136400000000, 0.0000000000000000, 0.0006935000000000 ] - [ 0.0021753500000000, -0.0000257300000000, 0.0008392300000000 ] - [ -0.0003278400000000, 0.0000904400000000, -0.0005122600000000 ] - [ -0.0003644900000000, 0.0000000000000000, -0.0010787100000000 ] - [ -0.0003278400000000, -0.0000904400000000, -0.0005122600000000 ] - [ 0.0018470000000000, 0.0000307700000000, 0.0007488900000000 ] - [ 0.0018785900000000, 0.0000000000000000, 0.0005907800000000 ] - [ 0.0018470000000000, -0.0000307700000000, 0.0007488900000000 ] - [ -0.0002085800000000, 0.0003702800000000, 0.0017477800000000 ] - [ -0.0000260100000000, 0.0000000000000000, 0.0003152700000000 ] - [ -0.0002085800000000, -0.0003702800000000, 0.0017477800000000 ] - [ 0.0022302100000000, -0.0000501200000000, 0.0005598400000000 ] - [ 0.0022411300000000, 0.0000000000000000, 0.0003994800000000 ] - [ 0.0022302100000000, 0.0000501200000000, 0.0005598400000000 ] - [ 0.0003666100000000, -0.0000047500000000, 0.0004695100000000 ] - [ 0.0003604100000000, 0.0000000000000000, 0.0001975500000000 ] - [ 0.0003666100000000, 0.0000047500000000, 0.0004695100000000 ] - [ 0.0001412000000000, -0.0154401400000000, 0.0066776700000000 ] - [ -0.0006508300000000, 0.0000000000000000, -0.0038634700000000 ] - [ 0.0001412000000000, 0.0154401400000000, 0.0066776700000000 ] - [ 0.0015742400000000, -0.0007376200000000, 0.0011496600000000 ] - [ 0.0021258800000000, 0.0000000000000000, 0.0003462100000000 ] - [ 0.0015742400000000, 0.0007376200000000, 0.0011496600000000 ] - [ -0.0004917500000000, -0.0002093300000000, 0.0002864000000000 ] - [ -0.0005013000000000, 0.0000000000000000, -0.0004021200000000 ] - [ -0.0004917500000000, 0.0002093300000000, 0.0002864000000000 ] - [ 0.0027182300000000, -0.0000462000000000, 0.0010761000000000 ] - [ 0.0026950600000000, 0.0000000000000000, 0.0009259400000000 ] - [ 0.0027182300000000, 0.0000462000000000, 0.0010761000000000 ] - [ 0.0001826300000000, -0.0003639800000000, 0.0010343800000000 ] - [ 0.0001242100000000, 0.0000000000000000, -0.0001364500000000 ] - [ 0.0001826300000000, 0.0003639800000000, 0.0010343800000000 ] - [ 0.0024473300000000, -0.0006567800000000, -0.0049651400000000 ] - [ 0.0029902000000000, 0.0000000000000000, -0.0011711800000000 ] - [ 0.0024473300000000, 0.0006567800000000, -0.0049651400000000 ] - [ -0.0000600500000000, -0.0009153600000000, -0.0041075300000000 ] - [ -0.0001452300000000, 0.0000000000000000, -0.0030164900000000 ] - [ -0.0000600500000000, 0.0009153600000000, -0.0041075300000000 ] - [ 0.0030385000000000, 0.0001906400000000, 0.0004934900000000 ] - [ 0.0019312900000000, 0.0000000000000000, -0.0001685800000000 ] - [ 0.0030385000000000, -0.0001906400000000, 0.0004934900000000 ] - [ 0.0007902900000000, 0.0003221000000000, -0.0027370300000000 ] - [ 0.0005537900000000, 0.0000000000000000, -0.0020929100000000 ] - [ 0.0007902900000000, -0.0003221000000000, -0.0027370300000000 ] - [ -0.0001951100000000, 0.0018401100000000, -0.0045734200000000 ] - [ 0.0022036200000000, 0.0000000000000000, -0.0009031700000000 ] - [ -0.0001951100000000, -0.0018401100000000, -0.0045734200000000 ] - [ 0.0006714800000000, 0.0122212900000000, 0.0080415100000000 ] - [ -0.0001171100000000, 0.0000000000000000, -0.0039898600000000 ] - [ 0.0006714800000000, -0.0122212900000000, 0.0080415100000000 ] - [ 0.0034111600000000, -0.0006465100000000, 0.0007966500000000 ] - [ 0.0027457100000000, 0.0000000000000000, 0.0000879900000000 ] - [ 0.0034111600000000, 0.0006465100000000, 0.0007966500000000 ] - [ 0.0009098500000000, 0.0003801300000000, 0.0009011700000000 ] - [ 0.0019129500000000, 0.0000000000000000, 0.0002237400000000 ] - [ 0.0009098500000000, -0.0003801300000000, 0.0009011700000000 ] - [ 0.0055300800000000, 0.0000000000000000, -0.0026930000000000 ] - [ 0.0055361500000000, -0.0001466400000000, -0.0027820100000000 ] - [ 0.0055361500000000, 0.0001466400000000, -0.0027820100000000 ] - [ 0.0045239300000000, 0.0000000000000000, -0.0013795800000000 ] - [ 0.0046149700000000, -0.0023767400000000, -0.0022245300000000 ] - [ 0.0046149700000000, 0.0023767400000000, -0.0022245300000000 ] - [ 0.0048827500000000, 0.0000000000000000, -0.0019910000000000 ] - [ 0.0048927400000000, 0.0001051400000000, -0.0020538700000000 ] - [ 0.0048927400000000, -0.0001051400000000, -0.0020538700000000 ] - [ 0.0074122200000000, 0.0000000000000000, -0.0582316000000000 ] - [ 0.0068781400000000, 0.0007921300000000, -0.0003890600000000 ] - [ 0.0068781400000000, -0.0007921300000000, -0.0003890600000000 ] - [ 0.0047122500000000, 0.0000000000000000, -0.0037085200000000 ] - [ 0.0047162100000000, -0.0001302700000000, -0.0038034200000000 ] - [ 0.0047162100000000, 0.0001302700000000, -0.0038034200000000 ] - [ 0.0051292100000000, 0.0000000000000000, -0.0024022400000000 ] - [ 0.0052085200000000, -0.0007062700000000, -0.0040960800000000 ] - [ 0.0052085200000000, 0.0007062700000000, -0.0040960800000000 ] - [ 0.0067662500000000, 0.0000000000000000, 0.0024579400000000 ] - [ 0.0066610100000000, 0.0002368500000000, 0.0036192300000000 ] - [ 0.0066610100000000, -0.0002368500000000, 0.0036192300000000 ] - [ 0.0008641200000000, 0.0000000000000000, -0.0009271600000000 ] - [ 0.0007412700000000, -0.0002230700000000, -0.0006272400000000 ] - [ 0.0007412700000000, 0.0002230700000000, -0.0006272400000000 ] - [ -0.0003122000000000, 0.0000000000000000, -0.0007251700000000 ] - [ -0.0003077500000000, 0.0000018000000000, -0.0006479900000000 ] - [ -0.0003077500000000, -0.0000018000000000, -0.0006479900000000 ] - [ -0.0001910900000000, 0.0000000000000000, -0.0012771600000000 ] - [ -0.0001689500000000, 0.0002652700000000, -0.0008359800000000 ] - [ -0.0001689500000000, -0.0002652700000000, -0.0008359800000000 ] - [ -0.0000365500000000, 0.0000000000000000, -0.0008020700000000 ] - [ -0.0000395200000000, 0.0000010200000000, -0.0007228700000000 ] - [ -0.0000395200000000, -0.0000010200000000, -0.0007228700000000 ] - [ -0.0007907100000000, 0.0000000000000000, -0.0010973000000000 ] - [ -0.0008094300000000, 0.0002561000000000, -0.0006414000000000 ] - [ -0.0008094300000000, -0.0002561000000000, -0.0006414000000000 ] - [ 0.0043314500000000, 0.0000000000000000, 0.0001064300000000 ] - [ 0.0008498800000000, 0.0008482200000000, 0.0012513700000000 ] - [ 0.0008498800000000, -0.0008482200000000, 0.0012513700000000 ] - [ -0.0044265200000000, 0.0000000000000000, 0.0017250000000000 ] - [ -0.0015728100000000, 0.0010212400000000, 0.0010551200000000 ] - [ -0.0015728100000000, -0.0010212400000000, 0.0010551200000000 ] - [ -0.0083912800000000, 0.0000871400000000, 0.0018564500000000 ] - [ -0.0096203900000000, 0.0000000000000000, -0.0005494900000000 ] - [ -0.0083912800000000, -0.0000871400000000, 0.0018564500000000 ] - [ -0.0101463000000000, -0.0021919700000000, -0.0043390800000000 ] - [ -0.0113116200000000, 0.0000000000000000, 0.0054405900000000 ] - [ -0.0101463000000000, 0.0021919700000000, -0.0043390800000000 ] - [ -0.0035086600000000, -0.0007827800000000, 0.0084272900000000 ] - [ -0.0034427200000000, 0.0000000000000000, 0.0089133100000000 ] - [ -0.0035086600000000, 0.0007827800000000, 0.0084272900000000 ] - [ -0.0062850100000000, -0.0001193300000000, 0.0020949300000000 ] - [ -0.0062273800000000, 0.0000000000000000, 0.0028242000000000 ] - [ -0.0062850100000000, 0.0001193300000000, 0.0020949300000000 ] - [ -0.0064514500000000, 0.0001203500000000, 0.0036783200000000 ] - [ -0.0064439400000000, 0.0000000000000000, 0.0042284000000000 ] - [ -0.0064514500000000, -0.0001203500000000, 0.0036783200000000 ] - [ -0.0075601400000000, 0.0001279800000000, 0.0020851200000000 ] - [ -0.0075428200000000, 0.0000000000000000, 0.0027367200000000 ] - [ -0.0075601400000000, -0.0001279800000000, 0.0020851200000000 ] - [ -0.0066586200000000, -0.0000919700000000, 0.0015332500000000 ] - [ -0.0066695100000000, 0.0000000000000000, 0.0020191700000000 ] - [ -0.0066586200000000, 0.0000919700000000, 0.0015332500000000 ] - [ -0.0064901400000000, 0.0018676300000000, -0.0023572500000000 ] - [ -0.0068910000000000, 0.0000000000000000, 0.0046872100000000 ] - [ -0.0064901400000000, -0.0018676300000000, -0.0023572500000000 ] - [ -0.0087692200000000, -0.0028180400000000, 0.0239337500000000 ] - [ -0.0085583000000000, 0.0000000000000000, 0.0059649900000000 ] - [ -0.0087692200000000, 0.0028180400000000, 0.0239337500000000 ] - [ -0.0071543800000000, 0.0016578700000000, 0.0050968200000000 ] - [ -0.0070143900000000, 0.0000000000000000, 0.0054677000000000 ] - [ -0.0071543800000000, -0.0016578700000000, 0.0050968200000000 ]- atom: 88 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0003744100000000, 0.0000000000000000, 0.0004490300000000 ] - [ -0.0004233300000000, 0.0001182500000000, 0.0003078000000000 ] - [ -0.0004233300000000, -0.0001182500000000, 0.0003078000000000 ] - [ 0.0029520100000000, 0.0000000000000000, 0.0000152700000000 ] - [ 0.0003732700000000, 0.0004557100000000, -0.0005185700000000 ] - [ 0.0003732700000000, -0.0004557100000000, -0.0005185700000000 ] - [ -0.0017249400000000, 0.0000000000000000, -0.0007678300000000 ] - [ -0.0006352600000000, 0.0004479100000000, -0.0001834800000000 ] - [ -0.0006352600000000, -0.0004479100000000, -0.0001834800000000 ] - [ 0.0044360500000000, 0.0000000000000000, -0.0044802100000000 ] - [ 0.0044448500000000, -0.0001600100000000, -0.0044080200000000 ] - [ 0.0044448500000000, 0.0001600100000000, -0.0044080200000000 ] - [ 0.0099005600000000, 0.0000000000000000, -0.0050528800000000 ] - [ 0.0100143000000000, -0.0027557800000000, -0.0046175900000000 ] - [ 0.0100143000000000, 0.0027557800000000, -0.0046175900000000 ] - [ 0.0013450400000000, 0.0000000000000000, -0.0073997700000000 ] - [ 0.0013636100000000, -0.0006210700000000, -0.0072419500000000 ] - [ 0.0013636100000000, 0.0006210700000000, -0.0072419500000000 ] - [ -0.0006397400000000, 0.0000020800000000, -0.0032915200000000 ] - [ -0.0006447800000000, 0.0000000000000000, -0.0029519000000000 ] - [ -0.0006397400000000, -0.0000020800000000, -0.0032915200000000 ] - [ 0.0017677300000000, -0.0000253900000000, -0.0003267300000000 ] - [ 0.0018240200000000, 0.0000000000000000, -0.0001820300000000 ] - [ 0.0017677300000000, 0.0000253900000000, -0.0003267300000000 ] - [ -0.0003104700000000, -0.0000895300000000, -0.0034494400000000 ] - [ -0.0002739100000000, 0.0000000000000000, -0.0028871100000000 ] - [ -0.0003104700000000, 0.0000895300000000, -0.0034494400000000 ] - [ 0.0020449300000000, -0.0000306900000000, -0.0006394500000000 ] - [ 0.0020161800000000, 0.0000000000000000, -0.0004822000000000 ] - [ 0.0020449300000000, 0.0000306900000000, -0.0006394500000000 ] - [ 0.0001079300000000, -0.0003642700000000, -0.0043978400000000 ] - [ -0.0000727300000000, 0.0000000000000000, -0.0029748300000000 ] - [ 0.0001079300000000, 0.0003642700000000, -0.0043978400000000 ] - [ 0.0023288900000000, 0.0000506200000000, -0.0007453200000000 ] - [ 0.0023197200000000, 0.0000000000000000, -0.0005837100000000 ] - [ 0.0023288900000000, -0.0000506200000000, -0.0007453200000000 ] - [ 0.0003209200000000, 0.0000051900000000, -0.0029383800000000 ] - [ 0.0003272100000000, 0.0000000000000000, -0.0026665100000000 ] - [ 0.0003209200000000, -0.0000051900000000, -0.0029383800000000 ] - [ -0.0011609600000000, 0.0156652800000000, -0.0106366100000000 ] - [ -0.0003583600000000, 0.0000000000000000, 0.0000168200000000 ] - [ -0.0011609600000000, -0.0156652800000000, -0.0106366100000000 ] - [ 0.0033943100000000, 0.0007471400000000, -0.0000714400000000 ] - [ 0.0028403500000000, 0.0000000000000000, 0.0007406600000000 ] - [ 0.0033943100000000, -0.0007471400000000, -0.0000714400000000 ] - [ -0.0004636300000000, 0.0002120800000000, -0.0026006200000000 ] - [ -0.0004535600000000, 0.0000000000000000, -0.0019058000000000 ] - [ -0.0004636300000000, -0.0002120800000000, -0.0026006200000000 ] - [ 0.0024927700000000, 0.0000467400000000, -0.0001935500000000 ] - [ 0.0025135800000000, 0.0000000000000000, -0.0000423600000000 ] - [ 0.0024927700000000, -0.0000467400000000, -0.0001935500000000 ] - [ 0.0000810600000000, 0.0003705600000000, -0.0040640900000000 ] - [ 0.0001399200000000, 0.0000000000000000, -0.0028800500000000 ] - [ 0.0000810600000000, -0.0003705600000000, -0.0040640900000000 ] - [ 0.0033335700000000, 0.0006058200000000, 0.0042825300000000 ] - [ 0.0028657500000000, 0.0000000000000000, 0.0004745600000000 ] - [ 0.0033335700000000, -0.0006058200000000, 0.0042825300000000 ] - [ -0.0005075600000000, 0.0009277800000000, 0.0013079900000000 ] - [ -0.0004197900000000, 0.0000000000000000, 0.0002074800000000 ] - [ -0.0005075600000000, -0.0009277800000000, 0.0013079900000000 ] - [ -0.0001989600000000, -0.0001899500000000, -0.0008595400000000 ] - [ 0.0009010200000000, 0.0000000000000000, -0.0002011900000000 ] - [ -0.0001989600000000, 0.0001899500000000, -0.0008595400000000 ] - [ 0.0000478800000000, -0.0003185600000000, 0.0018042200000000 ] - [ 0.0002830500000000, 0.0000000000000000, 0.0011637500000000 ] - [ 0.0000478800000000, 0.0003185600000000, 0.0018042200000000 ] - [ 0.0049719800000000, -0.0018870400000000, 0.0042268900000000 ] - [ 0.0025100300000000, 0.0000000000000000, 0.0005716600000000 ] - [ 0.0049719800000000, 0.0018870400000000, 0.0042268900000000 ] - [ -0.0009072600000000, -0.0120512400000000, -0.0120926800000000 ] - [ -0.0001339200000000, 0.0000000000000000, -0.0001768100000000 ] - [ -0.0009072600000000, 0.0120512400000000, -0.0120926800000000 ] - [ 0.0014473900000000, 0.0006541100000000, -0.0004243600000000 ] - [ 0.0021144200000000, 0.0000000000000000, 0.0002906700000000 ] - [ 0.0014473900000000, -0.0006541100000000, -0.0004243600000000 ] - [ 0.0039098500000000, -0.0003768200000000, -0.0003798800000000 ] - [ 0.0029125200000000, 0.0000000000000000, 0.0002931900000000 ] - [ 0.0039098500000000, 0.0003768200000000, -0.0003798800000000 ] - [ 0.0055240500000000, 0.0000000000000000, -0.0042453100000000 ] - [ 0.0055178700000000, 0.0001483100000000, -0.0041551300000000 ] - [ 0.0055178700000000, -0.0001483100000000, -0.0041551300000000 ] - [ 0.0047796300000000, 0.0000000000000000, -0.0054473000000000 ] - [ 0.0046859200000000, 0.0024056900000000, -0.0045950800000000 ] - [ 0.0046859200000000, -0.0024056900000000, -0.0045950800000000 ] - [ 0.0050113900000000, 0.0000000000000000, -0.0031699300000000 ] - [ 0.0050012700000000, -0.0001038400000000, -0.0031073800000000 ] - [ 0.0050012700000000, 0.0001038400000000, -0.0031073800000000 ] - [ 0.0065661300000000, 0.0000000000000000, 0.0570557600000000 ] - [ 0.0069778600000000, -0.0009169100000000, -0.0009530100000000 ] - [ 0.0069778600000000, 0.0009169100000000, -0.0009530100000000 ] - [ 0.0047271100000000, 0.0000000000000000, -0.0049604500000000 ] - [ 0.0047232900000000, 0.0001325200000000, -0.0048654800000000 ] - [ 0.0047232900000000, -0.0001325200000000, -0.0048654800000000 ] - [ 0.0052747500000000, 0.0000000000000000, -0.0056189000000000 ] - [ 0.0051955200000000, 0.0007153300000000, -0.0038970500000000 ] - [ 0.0051955200000000, -0.0007153300000000, -0.0038970500000000 ] - [ 0.0069864900000000, 0.0000000000000000, 0.0062842900000000 ] - [ 0.0070910900000000, -0.0002469800000000, 0.0051175700000000 ] - [ 0.0070910900000000, 0.0002469800000000, 0.0051175700000000 ] - [ 0.0000020500000000, 0.0000000000000000, 0.0011423200000000 ] - [ 0.0001239100000000, 0.0002213700000000, 0.0008448500000000 ] - [ 0.0001239100000000, -0.0002213700000000, 0.0008448500000000 ] - [ -0.0002943800000000, 0.0000000000000000, 0.0009043200000000 ] - [ -0.0002974400000000, -0.0000016200000000, 0.0008263000000000 ] - [ -0.0002974400000000, 0.0000016200000000, 0.0008263000000000 ] - [ -0.0006005800000000, 0.0000000000000000, 0.0009434400000000 ] - [ -0.0006249800000000, -0.0002688500000000, 0.0004967200000000 ] - [ -0.0006249800000000, 0.0002688500000000, 0.0004967200000000 ] - [ -0.0000338800000000, 0.0000000000000000, 0.0008999400000000 ] - [ -0.0000317400000000, -0.0000019900000000, 0.0008204900000000 ] - [ -0.0000317400000000, 0.0000019900000000, 0.0008204900000000 ] - [ -0.0003714400000000, 0.0000000000000000, 0.0011809700000000 ] - [ -0.0003507500000000, -0.0002588000000000, 0.0007196300000000 ] - [ -0.0003507500000000, 0.0002588000000000, 0.0007196300000000 ] - [ -0.0040426500000000, 0.0000000000000000, -0.0001911800000000 ] - [ -0.0006677800000000, -0.0008523500000000, -0.0012215600000000 ] - [ -0.0006677800000000, 0.0008523500000000, -0.0012215600000000 ] - [ 0.0030440100000000, 0.0000000000000000, -0.0022433600000000 ] - [ 0.0003561600000000, -0.0010293500000000, -0.0014031200000000 ] - [ 0.0003561600000000, 0.0010293500000000, -0.0014031200000000 ] - [ -0.0104796800000000, -0.0001011200000000, -0.0084855200000000 ] - [ -0.0092540600000000, 0.0000000000000000, -0.0060701700000000 ] - [ -0.0104796800000000, 0.0001011200000000, -0.0084855200000000 ] - [ -0.0122138800000000, 0.0021656200000000, 0.0146807800000000 ] - [ -0.0110555300000000, 0.0000000000000000, 0.0049684500000000 ] - [ -0.0122138800000000, -0.0021656200000000, 0.0146807800000000 ] - [ -0.0034142600000000, 0.0007763000000000, 0.0085767200000000 ] - [ -0.0034800500000000, 0.0000000000000000, 0.0080949700000000 ] - [ -0.0034142600000000, -0.0007763000000000, 0.0085767200000000 ] - [ -0.0056543600000000, 0.0001159700000000, 0.0077335000000000 ] - [ -0.0057065700000000, 0.0000000000000000, 0.0070109000000000 ] - [ -0.0056543600000000, -0.0001159700000000, 0.0077335000000000 ] - [ -0.0063393200000000, -0.0001236000000000, 0.0078555200000000 ] - [ -0.0063431400000000, 0.0000000000000000, 0.0072946300000000 ] - [ -0.0063393200000000, 0.0001236000000000, 0.0078555200000000 ] - [ -0.0074833600000000, -0.0001275700000000, 0.0074676800000000 ] - [ -0.0075027900000000, 0.0000000000000000, 0.0068138200000000 ] - [ -0.0074833600000000, 0.0001275700000000, 0.0074676800000000 ] - [ -0.0068540800000000, 0.0000937800000000, 0.0057473300000000 ] - [ -0.0068455100000000, 0.0000000000000000, 0.0052620200000000 ] - [ -0.0068540800000000, -0.0000937800000000, 0.0057473300000000 ] - [ -0.0074252500000000, -0.0019013800000000, 0.0113610400000000 ] - [ -0.0070200100000000, 0.0000000000000000, 0.0042410600000000 ] - [ -0.0074252500000000, 0.0019013800000000, 0.0113610400000000 ] - [ -0.0087700700000000, 0.0025599800000000, -0.0189083800000000 ] - [ -0.0089632300000000, 0.0000000000000000, -0.0009594000000000 ] - [ -0.0087700700000000, -0.0025599800000000, -0.0189083800000000 ] - [ -0.0068451000000000, -0.0016810400000000, 0.0051959400000000 ] - [ -0.0069846400000000, 0.0000000000000000, 0.0048198000000000 ] - [ -0.0068451000000000, 0.0016810400000000, 0.0051959400000000 ]- atom: 91 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005316900000000, 0.0000000000000000, -0.0001347700000000 ] - [ -0.0005236900000000, 0.0000234000000000, -0.0000820700000000 ] - [ -0.0005236900000000, -0.0000234000000000, -0.0000820700000000 ] - [ -0.0001302200000000, 0.0000000000000000, 0.0000597500000000 ] - [ -0.0001306100000000, 0.0000025200000000, 0.0000606800000000 ] - [ -0.0001306100000000, -0.0000025200000000, 0.0000606800000000 ] - [ -0.0001573600000000, 0.0000000000000000, 0.0003113800000000 ] - [ -0.0001583300000000, 0.0000031500000000, 0.0003115400000000 ] - [ -0.0001583300000000, -0.0000031500000000, 0.0003115400000000 ] - [ 0.0062272700000000, 0.0000000000000000, -0.0038196900000000 ] - [ 0.0046322500000000, -0.0001045700000000, -0.0037013900000000 ] - [ 0.0046322500000000, 0.0001045700000000, -0.0037013900000000 ] - [ 0.0096353400000000, 0.0000000000000000, -0.0034365300000000 ] - [ 0.0096418600000000, -0.0000156600000000, -0.0034429400000000 ] - [ 0.0096418600000000, 0.0000156600000000, -0.0034429400000000 ] - [ 0.0013825800000000, 0.0000000000000000, -0.0072168900000000 ] - [ 0.0013749400000000, -0.0000148600000000, -0.0072217400000000 ] - [ 0.0013749400000000, 0.0000148600000000, -0.0072217400000000 ] - [ 0.0009947000000000, -0.0000983500000000, -0.0007679400000000 ] - [ -0.0005526200000000, 0.0000000000000000, -0.0012380500000000 ] - [ 0.0009947000000000, 0.0000983500000000, -0.0007679400000000 ] - [ 0.0019548500000000, -0.0003750700000000, 0.0005788500000000 ] - [ 0.0019301100000000, 0.0000000000000000, 0.0002959800000000 ] - [ 0.0019548500000000, 0.0003750700000000, 0.0005788500000000 ] - [ -0.0003855700000000, -0.0000306900000000, -0.0020192300000000 ] - [ -0.0003369800000000, 0.0000000000000000, -0.0020537300000000 ] - [ -0.0003855700000000, 0.0000306900000000, -0.0020192300000000 ] - [ 0.0018784900000000, 0.0004174100000000, -0.0003929200000000 ] - [ 0.0019486000000000, 0.0000000000000000, -0.0001122400000000 ] - [ 0.0018784900000000, -0.0004174100000000, -0.0003929200000000 ] - [ 0.0000106200000000, -0.0000092000000000, -0.0012661300000000 ] - [ -0.0000243300000000, 0.0000000000000000, -0.0013288200000000 ] - [ 0.0000106200000000, 0.0000092000000000, -0.0012661300000000 ] - [ 0.0155263200000000, -0.0134624800000000, -0.0000435000000000 ] - [ 0.0022311400000000, 0.0000000000000000, -0.0000530100000000 ] - [ 0.0155263200000000, 0.0134624800000000, -0.0000435000000000 ] - [ -0.0035407100000000, -0.0006282000000000, -0.0013484100000000 ] - [ 0.0001971100000000, 0.0000000000000000, -0.0015475900000000 ] - [ -0.0035407100000000, 0.0006282000000000, -0.0013484100000000 ] - [ -0.0004412900000000, -0.0000152600000000, -0.0019903200000000 ] - [ -0.0004773100000000, 0.0000000000000000, -0.0019388700000000 ] - [ -0.0004412900000000, 0.0000152600000000, -0.0019903200000000 ] - [ 0.0024780300000000, -0.0004025900000000, 0.0001940400000000 ] - [ 0.0024493300000000, 0.0000000000000000, 0.0004912700000000 ] - [ 0.0024780300000000, 0.0004025900000000, 0.0001940400000000 ] - [ -0.0043295600000000, -0.0004043400000000, -0.0009440800000000 ] - [ -0.0006699900000000, 0.0000000000000000, -0.0008288700000000 ] - [ -0.0043295600000000, 0.0004043400000000, -0.0009440800000000 ] - [ 0.0142094800000000, 0.0146648200000000, 0.0001869100000000 ] - [ 0.0032256300000000, 0.0000000000000000, 0.0004075000000000 ] - [ 0.0142094800000000, -0.0146648200000000, 0.0001869100000000 ] - [ 0.0018877500000000, -0.0000369900000000, -0.0018544200000000 ] - [ 0.0002593400000000, 0.0000000000000000, -0.0015395500000000 ] - [ 0.0018877500000000, 0.0000369900000000, -0.0018544200000000 ] - [ 0.0029237500000000, -0.0000020900000000, -0.0003533600000000 ] - [ 0.0029264600000000, 0.0000000000000000, -0.0003597900000000 ] - [ 0.0029237500000000, 0.0000020900000000, -0.0003533600000000 ] - [ -0.0003625900000000, -0.0000379800000000, -0.0014138000000000 ] - [ -0.0003063600000000, 0.0000000000000000, -0.0013418200000000 ] - [ -0.0003625900000000, 0.0000379800000000, -0.0014138000000000 ] - [ 0.0013979400000000, -0.0000015200000000, -0.0001795300000000 ] - [ 0.0014033100000000, 0.0000000000000000, -0.0001863500000000 ] - [ 0.0013979400000000, 0.0000015200000000, -0.0001795300000000 ] - [ 0.0004139400000000, -0.0000035800000000, -0.0004641100000000 ] - [ 0.0004130200000000, 0.0000000000000000, -0.0004613400000000 ] - [ 0.0004139400000000, 0.0000035800000000, -0.0004641100000000 ] - [ 0.0023548200000000, -0.0000049200000000, -0.0001677800000000 ] - [ 0.0023548200000000, 0.0000000000000000, -0.0001574000000000 ] - [ 0.0023548200000000, 0.0000049200000000, -0.0001677800000000 ] - [ -0.0001236800000000, -0.0000030400000000, -0.0020618200000000 ] - [ -0.0001236400000000, 0.0000000000000000, -0.0020680900000000 ] - [ -0.0001236800000000, 0.0000030400000000, -0.0020618200000000 ] - [ 0.0024091100000000, 0.0004071400000000, 0.0005982700000000 ] - [ 0.0024574100000000, 0.0000000000000000, 0.0003298700000000 ] - [ 0.0024091100000000, -0.0004071400000000, 0.0005982700000000 ] - [ 0.0024266600000000, -0.0000047800000000, 0.0002614000000000 ] - [ 0.0024242500000000, 0.0000000000000000, 0.0002518000000000 ] - [ 0.0024266600000000, 0.0000047800000000, 0.0002614000000000 ] - [ 0.0096407400000000, 0.0000000000000000, -0.0034517400000000 ] - [ 0.0080968000000000, -0.0006239200000000, -0.0034490800000000 ] - [ 0.0080968000000000, 0.0006239200000000, -0.0034490800000000 ] - [ 0.0064004500000000, 0.0000000000000000, -0.0033712300000000 ] - [ 0.0047884400000000, -0.0000897100000000, -0.0034053400000000 ] - [ 0.0047884400000000, 0.0000897100000000, -0.0034053400000000 ] - [ 0.0039954000000000, 0.0000000000000000, -0.0025040900000000 ] - [ 0.0048640100000000, -0.0000844100000000, -0.0025838700000000 ] - [ 0.0048640100000000, 0.0000844100000000, -0.0025838700000000 ] - [ 0.0069196800000000, 0.0000000000000000, -0.0006791800000000 ] - [ 0.0069308000000000, -0.0000144600000000, -0.0006755800000000 ] - [ 0.0069308000000000, 0.0000144600000000, -0.0006755800000000 ] - [ -0.0500894900000000, 0.0000000000000000, -0.0032467100000000 ] - [ 0.0055685800000000, 0.0015311500000000, -0.0042033900000000 ] - [ 0.0055685800000000, -0.0015311500000000, -0.0042033900000000 ] - [ 0.0042356000000000, 0.0000000000000000, -0.0040939900000000 ] - [ 0.0051240900000000, -0.0000632700000000, -0.0039702100000000 ] - [ 0.0051240900000000, 0.0000632700000000, -0.0039702100000000 ] - [ 0.0068821900000000, 0.0000000000000000, 0.0043665100000000 ] - [ 0.0068708400000000, -0.0000166800000000, 0.0043691000000000 ] - [ 0.0068708400000000, 0.0000166800000000, 0.0043691000000000 ] - [ 0.0004079900000000, 0.0000000000000000, 0.0002135900000000 ] - [ 0.0003994600000000, -0.0000153200000000, 0.0001740200000000 ] - [ 0.0003994600000000, 0.0000153200000000, 0.0001740200000000 ] - [ -0.0014220000000000, 0.0000000000000000, -0.0046530800000000 ] - [ 0.0000089800000000, 0.0006339600000000, -0.0004766300000000 ] - [ 0.0000089800000000, -0.0006339600000000, -0.0004766300000000 ] - [ 0.0005045700000000, 0.0000000000000000, 0.0027561500000000 ] - [ -0.0000657700000000, 0.0007644800000000, 0.0004640900000000 ] - [ -0.0000657700000000, -0.0007644800000000, 0.0004640900000000 ] - [ -0.0025101400000000, 0.0000000000000000, 0.0055839400000000 ] - [ -0.0002013200000000, -0.0006586000000000, 0.0009021500000000 ] - [ -0.0002013200000000, 0.0006586000000000, 0.0009021500000000 ] - [ -0.0018510900000000, 0.0000000000000000, -0.0044320700000000 ] - [ -0.0007365100000000, -0.0007463100000000, -0.0008536300000000 ] - [ -0.0007365100000000, 0.0007463100000000, -0.0008536300000000 ] - [ 0.0000906800000000, 0.0000000000000000, 0.0002077600000000 ] - [ 0.0001069200000000, 0.0000489400000000, 0.0000700400000000 ] - [ 0.0001069200000000, -0.0000489400000000, 0.0000700400000000 ] - [ -0.0006249500000000, 0.0000000000000000, -0.0002700700000000 ] - [ -0.0006366800000000, -0.0000151000000000, -0.0002271100000000 ] - [ -0.0006366800000000, 0.0000151000000000, -0.0002271100000000 ] - [ -0.0094312100000000, 0.0000140000000000, -0.0033081800000000 ] - [ -0.0094154000000000, 0.0000000000000000, -0.0033435900000000 ] - [ -0.0094312100000000, -0.0000140000000000, -0.0033081800000000 ] - [ -0.0111836100000000, 0.0000153000000000, 0.0051533900000000 ] - [ -0.0111899200000000, 0.0000000000000000, 0.0051942500000000 ] - [ -0.0111836100000000, -0.0000153000000000, 0.0051533900000000 ] - [ -0.0034498600000000, 0.0000159000000000, 0.0085203300000000 ] - [ -0.0034480200000000, 0.0000000000000000, 0.0085403500000000 ] - [ -0.0034498600000000, -0.0000159000000000, 0.0085203300000000 ] - [ -0.0066144200000000, 0.0000690500000000, 0.0045995800000000 ] - [ -0.0060891100000000, 0.0000000000000000, 0.0049113700000000 ] - [ -0.0066144200000000, -0.0000690500000000, 0.0045995800000000 ] - [ 0.0107770500000000, 0.0010104700000000, 0.0058953300000000 ] - [ -0.0059490700000000, 0.0000000000000000, 0.0057309900000000 ] - [ 0.0107770500000000, -0.0010104700000000, 0.0058953300000000 ] - [ -0.0227294000000000, 0.0004704100000000, 0.0043869400000000 ] - [ -0.0079017400000000, 0.0000000000000000, 0.0047232000000000 ] - [ -0.0227294000000000, -0.0004704100000000, 0.0043869400000000 ] - [ -0.0060154300000000, 0.0000747200000000, 0.0038117600000000 ] - [ -0.0066040300000000, 0.0000000000000000, 0.0038613600000000 ] - [ -0.0060154300000000, -0.0000747200000000, 0.0038117600000000 ] - [ -0.0077200900000000, 0.0001076600000000, 0.0046994300000000 ] - [ -0.0071147600000000, 0.0000000000000000, 0.0044668900000000 ] - [ -0.0077200900000000, -0.0001076600000000, 0.0046994300000000 ] - [ -0.0087613100000000, 0.0000109300000000, 0.0025283100000000 ] - [ -0.0087754500000000, 0.0000000000000000, 0.0025030600000000 ] - [ -0.0087613100000000, -0.0000109300000000, 0.0025283100000000 ] - [ -0.0062075700000000, 0.0001186900000000, 0.0049762700000000 ] - [ -0.0068519300000000, 0.0000000000000000, 0.0049143500000000 ] - [ -0.0062075700000000, -0.0001186900000000, 0.0049762700000000 ]- atom: 91 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005411500000000, 0.0000000000000000, 0.0000064600000000 ] - [ -0.0005484400000000, -0.0000242400000000, -0.0000495600000000 ] - [ -0.0005484400000000, 0.0000242400000000, -0.0000495600000000 ] - [ -0.0001350700000000, 0.0000000000000000, 0.0000572600000000 ] - [ -0.0001352400000000, -0.0000027700000000, 0.0000567400000000 ] - [ -0.0001352400000000, 0.0000027700000000, 0.0000567400000000 ] - [ -0.0001542200000000, 0.0000000000000000, 0.0003099700000000 ] - [ -0.0001534900000000, -0.0000033600000000, 0.0003098500000000 ] - [ -0.0001534900000000, 0.0000033600000000, 0.0003098500000000 ] - [ 0.0027465100000000, 0.0000000000000000, -0.0036021000000000 ] - [ 0.0043414700000000, 0.0001140800000000, -0.0036994000000000 ] - [ 0.0043414700000000, -0.0001140800000000, -0.0036994000000000 ] - [ 0.0096367600000000, 0.0000000000000000, -0.0034529200000000 ] - [ 0.0096302000000000, 0.0000172500000000, -0.0034461900000000 ] - [ 0.0096302000000000, -0.0000172500000000, -0.0034461900000000 ] - [ 0.0013750700000000, 0.0000000000000000, -0.0072121000000000 ] - [ 0.0013830500000000, 0.0000164900000000, -0.0072072300000000 ] - [ 0.0013830500000000, -0.0000164900000000, -0.0072072300000000 ] - [ -0.0022898700000000, 0.0001091000000000, -0.0018523300000000 ] - [ -0.0007410100000000, 0.0000000000000000, -0.0013705000000000 ] - [ -0.0022898700000000, -0.0001091000000000, -0.0018523300000000 ] - [ 0.0019992400000000, 0.0003828800000000, -0.0000683800000000 ] - [ 0.0020130500000000, 0.0000000000000000, 0.0002182200000000 ] - [ 0.0019992400000000, -0.0003828800000000, -0.0000683800000000 ] - [ -0.0002534800000000, 0.0000315700000000, -0.0019287700000000 ] - [ -0.0003019300000000, 0.0000000000000000, -0.0018940400000000 ] - [ -0.0002534800000000, -0.0000315700000000, -0.0019287700000000 ] - [ 0.0019998700000000, -0.0004102800000000, 0.0004996300000000 ] - [ 0.0019401800000000, 0.0000000000000000, 0.0002231400000000 ] - [ 0.0019998700000000, 0.0004102800000000, 0.0004996300000000 ] - [ -0.0001128200000000, 0.0000108400000000, -0.0013961900000000 ] - [ -0.0000761800000000, 0.0000000000000000, -0.0013252300000000 ] - [ -0.0001128200000000, -0.0000108400000000, -0.0013961900000000 ] - [ -0.0110300800000000, 0.0136517700000000, -0.0001408300000000 ] - [ 0.0023660000000000, 0.0000000000000000, -0.0001312000000000 ] - [ -0.0110300800000000, -0.0136517700000000, -0.0001408300000000 ] - [ 0.0042401700000000, 0.0005649900000000, -0.0010080500000000 ] - [ 0.0004912700000000, 0.0000000000000000, -0.0009011700000000 ] - [ 0.0042401700000000, -0.0005649900000000, -0.0010080500000000 ] - [ -0.0005705400000000, 0.0000179100000000, -0.0018934500000000 ] - [ -0.0005339600000000, 0.0000000000000000, -0.0019520200000000 ] - [ -0.0005705400000000, -0.0000179100000000, -0.0018934500000000 ] - [ 0.0024980500000000, 0.0004115700000000, 0.0008888600000000 ] - [ 0.0025209000000000, 0.0000000000000000, 0.0005862100000000 ] - [ 0.0024980500000000, -0.0004115700000000, 0.0008888600000000 ] - [ 0.0033808200000000, 0.0003392000000000, -0.0014826000000000 ] - [ -0.0002851500000000, 0.0000000000000000, -0.0015061800000000 ] - [ 0.0033808200000000, -0.0003392000000000, -0.0014826000000000 ] - [ -0.0089321800000000, -0.0144442100000000, 0.0006926100000000 ] - [ 0.0019522900000000, 0.0000000000000000, 0.0004758700000000 ] - [ -0.0089321800000000, 0.0144442100000000, 0.0006926100000000 ] - [ -0.0016253200000000, 0.0000499100000000, -0.0011515600000000 ] - [ 0.0000034300000000, 0.0000000000000000, -0.0014760400000000 ] - [ -0.0016253200000000, -0.0000499100000000, -0.0011515600000000 ] - [ 0.0029488400000000, 0.0000027900000000, -0.0003469100000000 ] - [ 0.0029459700000000, 0.0000000000000000, -0.0003409800000000 ] - [ 0.0029488400000000, -0.0000027900000000, -0.0003469100000000 ] - [ -0.0002010300000000, 0.0000384500000000, -0.0014230300000000 ] - [ -0.0002576100000000, 0.0000000000000000, -0.0014952500000000 ] - [ -0.0002010300000000, -0.0000384500000000, -0.0014230300000000 ] - [ 0.0014347400000000, 0.0000017900000000, -0.0001850900000000 ] - [ 0.0014290400000000, 0.0000000000000000, -0.0001777800000000 ] - [ 0.0014347400000000, -0.0000017900000000, -0.0001850900000000 ] - [ 0.0004237000000000, 0.0000038600000000, -0.0004442800000000 ] - [ 0.0004246900000000, 0.0000000000000000, -0.0004472300000000 ] - [ 0.0004237000000000, -0.0000038600000000, -0.0004442800000000 ] - [ 0.0023410100000000, 0.0000055500000000, -0.0001634400000000 ] - [ 0.0023408800000000, 0.0000000000000000, -0.0001744200000000 ] - [ 0.0023410100000000, -0.0000055500000000, -0.0001634400000000 ] - [ -0.0001274900000000, 0.0000034900000000, -0.0020612700000000 ] - [ -0.0001275200000000, 0.0000000000000000, -0.0020546800000000 ] - [ -0.0001274900000000, -0.0000034900000000, -0.0020612700000000 ] - [ 0.0024357500000000, -0.0003989600000000, -0.0002232000000000 ] - [ 0.0023955500000000, 0.0000000000000000, 0.0000408500000000 ] - [ 0.0024357500000000, 0.0003989600000000, -0.0002232000000000 ] - [ 0.0023979800000000, 0.0000051500000000, 0.0002617100000000 ] - [ 0.0024010500000000, 0.0000000000000000, 0.0002720800000000 ] - [ 0.0023979800000000, -0.0000051500000000, 0.0002617100000000 ] - [ 0.0014193400000000, 0.0000000000000000, -0.0034877000000000 ] - [ 0.0029614800000000, 0.0006754200000000, -0.0034848900000000 ] - [ 0.0029614800000000, -0.0006754200000000, -0.0034848900000000 ] - [ 0.0028978100000000, 0.0000000000000000, -0.0034165100000000 ] - [ 0.0045106400000000, 0.0000984700000000, -0.0034064200000000 ] - [ 0.0045106400000000, -0.0000984700000000, -0.0034064200000000 ] - [ 0.0059001900000000, 0.0000000000000000, -0.0026530600000000 ] - [ 0.0050286900000000, 0.0000781700000000, -0.0025643800000000 ] - [ 0.0050286900000000, -0.0000781700000000, -0.0025643800000000 ] - [ 0.0069257600000000, 0.0000000000000000, -0.0006643100000000 ] - [ 0.0069147200000000, 0.0000161900000000, -0.0006685700000000 ] - [ 0.0069147200000000, -0.0000161900000000, -0.0006685700000000 ] - [ 0.0596346300000000, 0.0000000000000000, -0.0055800600000000 ] - [ 0.0038836800000000, -0.0016534100000000, -0.0044725400000000 ] - [ 0.0038836800000000, 0.0016534100000000, -0.0044725400000000 ] - [ 0.0061723400000000, 0.0000000000000000, -0.0039069900000000 ] - [ 0.0052803400000000, 0.0000573700000000, -0.0040400600000000 ] - [ 0.0052803400000000, -0.0000573700000000, -0.0040400600000000 ] - [ 0.0068723600000000, 0.0000000000000000, 0.0043662600000000 ] - [ 0.0068831700000000, 0.0000184200000000, 0.0043636600000000 ] - [ 0.0068831700000000, -0.0000184200000000, 0.0043636600000000 ] - [ 0.0004598800000000, 0.0000000000000000, 0.0000049400000000 ] - [ 0.0004661800000000, 0.0000137400000000, 0.0000411800000000 ] - [ 0.0004661800000000, -0.0000137400000000, 0.0000411800000000 ] - [ 0.0006798000000000, 0.0000000000000000, 0.0047322900000000 ] - [ -0.0006357200000000, -0.0006364200000000, 0.0006548500000000 ] - [ -0.0006357200000000, 0.0006364200000000, 0.0006548500000000 ] - [ -0.0015088000000000, 0.0000000000000000, -0.0028998200000000 ] - [ -0.0007474200000000, -0.0007703600000000, -0.0008023100000000 ] - [ -0.0007474200000000, 0.0007703600000000, -0.0008023100000000 ] - [ 0.0025459900000000, 0.0000000000000000, -0.0055502300000000 ] - [ 0.0001481500000000, 0.0006530700000000, -0.0008033100000000 ] - [ 0.0001481500000000, -0.0006530700000000, -0.0008033100000000 ] - [ 0.0008541100000000, 0.0000000000000000, 0.0046390900000000 ] - [ -0.0004071700000000, 0.0007404600000000, 0.0009322000000000 ] - [ -0.0004071700000000, -0.0007404600000000, 0.0009322000000000 ] - [ 0.0000847600000000, 0.0000000000000000, -0.0001552700000000 ] - [ 0.0000703800000000, -0.0000507700000000, -0.0000120200000000 ] - [ 0.0000703800000000, 0.0000507700000000, -0.0000120200000000 ] - [ -0.0005857600000000, 0.0000000000000000, -0.0000589700000000 ] - [ -0.0005752700000000, 0.0000133300000000, -0.0000967400000000 ] - [ -0.0005752700000000, -0.0000133300000000, -0.0000967400000000 ] - [ -0.0094436800000000, -0.0000155000000000, -0.0033067000000000 ] - [ -0.0094596000000000, 0.0000000000000000, -0.0032693600000000 ] - [ -0.0094436800000000, 0.0000155000000000, -0.0033067000000000 ] - [ -0.0111797800000000, -0.0000171400000000, 0.0052208700000000 ] - [ -0.0111728500000000, 0.0000000000000000, 0.0051753300000000 ] - [ -0.0111797800000000, 0.0000171400000000, 0.0052208700000000 ] - [ -0.0034763000000000, -0.0000171300000000, 0.0084606100000000 ] - [ -0.0034783300000000, 0.0000000000000000, 0.0084394800000000 ] - [ -0.0034763000000000, 0.0000171300000000, 0.0084606100000000 ] - [ -0.0053235100000000, -0.0000893100000000, 0.0052509000000000 ] - [ -0.0058463200000000, 0.0000000000000000, 0.0049231100000000 ] - [ -0.0053235100000000, 0.0000893100000000, 0.0052509000000000 ] - [ -0.0235977500000000, -0.0012185600000000, 0.0056487600000000 ] - [ -0.0068416800000000, 0.0000000000000000, 0.0057947400000000 ] - [ -0.0235977500000000, 0.0012185600000000, 0.0056487600000000 ] - [ 0.0076777900000000, -0.0005250100000000, 0.0051663900000000 ] - [ -0.0071528700000000, 0.0000000000000000, 0.0048288100000000 ] - [ 0.0076777900000000, 0.0005250100000000, 0.0051663900000000 ] - [ -0.0074908900000000, -0.0000813300000000, 0.0034177400000000 ] - [ -0.0069084100000000, 0.0000000000000000, 0.0033991400000000 ] - [ -0.0074908900000000, 0.0000813300000000, 0.0034177400000000 ] - [ -0.0061882000000000, -0.0001317800000000, 0.0042409400000000 ] - [ -0.0067959300000000, 0.0000000000000000, 0.0044912500000000 ] - [ -0.0061882000000000, 0.0001317800000000, 0.0042409400000000 ] - [ -0.0087627000000000, -0.0000117900000000, 0.0024736600000000 ] - [ -0.0087479800000000, 0.0000000000000000, 0.0025036200000000 ] - [ -0.0087627000000000, 0.0000117900000000, 0.0024736600000000 ] - [ -0.0077878400000000, -0.0001285800000000, 0.0053783800000000 ] - [ -0.0071451400000000, 0.0000000000000000, 0.0054083000000000 ] - [ -0.0077878400000000, 0.0001285800000000, 0.0053783800000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005338300000000, 0.0006079000000000, -0.0000681200000000 ] - [ -0.0004333900000000, -0.0002990300000000, 0.0002445800000000 ] - [ -0.0006350100000000, -0.0003016100000000, -0.0003750300000000 ] - [ -0.0001322800000000, 0.0002145900000000, 0.0000595300000000 ] - [ -0.0001271700000000, -0.0001075300000000, 0.0000595100000000 ] - [ -0.0001370600000000, -0.0001084500000000, 0.0000591400000000 ] - [ -0.0001563500000000, 0.0002149200000000, 0.0003122200000000 ] - [ -0.0001617700000000, -0.0001060800000000, 0.0003122300000000 ] - [ -0.0001505200000000, -0.0001069800000000, 0.0003116700000000 ] - [ 0.0044868700000000, -0.0036710900000000, -0.0036755200000000 ] - [ 0.0045923600000000, 0.0018111200000000, -0.0045278800000000 ] - [ 0.0043849900000000, 0.0018306600000000, -0.0028752700000000 ] - [ 0.0096360900000000, -0.0009607700000000, -0.0034444200000000 ] - [ 0.0096874700000000, 0.0004796400000000, -0.0035644000000000 ] - [ 0.0095857100000000, 0.0004841100000000, -0.0033257700000000 ] - [ 0.0013790900000000, -0.0012026800000000, -0.0072163900000000 ] - [ 0.0013617100000000, 0.0006434800000000, -0.0073476400000000 ] - [ 0.0013958700000000, 0.0006471700000000, -0.0070862400000000 ] - [ -0.0002691100000000, -0.0012191700000000, -0.0056614200000000 ] - [ -0.0006459200000000, 0.0023831600000000, -0.0013090700000000 ] - [ -0.0010146200000000, -0.0011853800000000, 0.0030533500000000 ] - [ 0.0002985300000000, -0.0007404300000000, -0.0015470200000000 ] - [ 0.0019642000000000, 0.0013985600000000, 0.0002530900000000 ] - [ 0.0036293600000000, -0.0007205800000000, 0.0020646500000000 ] - [ -0.0002208800000000, -0.0003801700000000, -0.0051229100000000 ] - [ -0.0003183200000000, 0.0012396800000000, -0.0019916300000000 ] - [ -0.0004162400000000, -0.0003788500000000, 0.0011462400000000 ] - [ 0.0036131300000000, -0.0009028400000000, -0.0018865900000000 ] - [ 0.0019517700000000, 0.0018180400000000, 0.0000503100000000 ] - [ 0.0003018500000000, -0.0008801200000000, 0.0020036600000000 ] - [ -0.0000993300000000, -0.0002908800000000, -0.0029409400000000 ] - [ -0.0000494300000000, 0.0005796800000000, -0.0013332200000000 ] - [ 0.0000023500000000, -0.0002848800000000, 0.0002886700000000 ] - [ -0.0216320200000000, 0.0096848900000000, 0.0006389500000000 ] - [ 0.0022595200000000, 0.0053365000000000, -0.0000889800000000 ] - [ 0.0260368400000000, 0.0097539000000000, -0.0008103200000000 ] - [ -0.0016076700000000, 0.0111367100000000, -0.0319350400000000 ] - [ 0.0003409500000000, 0.0044684900000000, -0.0012664800000000 ] - [ 0.0022724900000000, 0.0111997100000000, 0.0291133900000000 ] - [ -0.0004707100000000, -0.0002998200000000, -0.0003831700000000 ] - [ -0.0005053200000000, 0.0005940100000000, -0.0019429400000000 ] - [ -0.0005391900000000, -0.0002933700000000, -0.0035221100000000 ] - [ 0.0011657200000000, -0.0007174500000000, 0.0021594600000000 ] - [ 0.0024796300000000, 0.0013463200000000, 0.0005432400000000 ] - [ 0.0037950700000000, -0.0006965100000000, -0.0010921600000000 ] - [ -0.0014093000000000, 0.0107593500000000, 0.0275616400000000 ] - [ -0.0004789400000000, 0.0045459200000000, -0.0011201800000000 ] - [ 0.0004434100000000, 0.0108252800000000, -0.0296503600000000 ] - [ 0.0295184500000000, 0.0112807000000000, 0.0008945100000000 ] - [ 0.0026358800000000, 0.0053217500000000, 0.0004447500000000 ] - [ -0.0239245400000000, 0.0113465200000000, 0.0000001800000000 ] - [ 0.0005565400000000, -0.0012042000000000, 0.0027928600000000 ] - [ 0.0001328900000000, 0.0022509300000000, -0.0014956400000000 ] - [ -0.0002842200000000, -0.0011660100000000, -0.0057988600000000 ] - [ 0.0028524400000000, -0.0001479100000000, -0.0001243500000000 ] - [ 0.0029352800000000, 0.0002876800000000, -0.0003508800000000 ] - [ 0.0030174500000000, -0.0001460600000000, -0.0005801800000000 ] - [ -0.0003088700000000, -0.0003437700000000, 0.0013653000000000 ] - [ -0.0002819600000000, 0.0012117600000000, -0.0014097200000000 ] - [ -0.0002554300000000, -0.0003401500000000, -0.0041990700000000 ] - [ 0.0013048500000000, -0.0000939700000000, -0.0004662500000000 ] - [ 0.0014141900000000, 0.0001827700000000, -0.0001835900000000 ] - [ 0.0015232500000000, -0.0000930000000000, 0.0001011100000000 ] - [ 0.0002879100000000, -0.0000659400000000, -0.0004956900000000 ] - [ 0.0004181200000000, 0.0002717100000000, -0.0004592500000000 ] - [ 0.0005484000000000, -0.0000660500000000, -0.0004242300000000 ] - [ 0.0024489600000000, -0.0001076700000000, 0.0000497000000000 ] - [ 0.0023494500000000, 0.0002117700000000, -0.0001661600000000 ] - [ 0.0022503600000000, -0.0001066100000000, -0.0003842000000000 ] - [ -0.0001079600000000, -0.0000910800000000, -0.0021656300000000 ] - [ -0.0001251200000000, 0.0001820800000000, -0.0020654800000000 ] - [ -0.0001422400000000, -0.0000901400000000, -0.0019657200000000 ] - [ 0.0043832600000000, -0.0007840100000000, 0.0018947800000000 ] - [ 0.0024338600000000, 0.0015757200000000, 0.0001906900000000 ] - [ 0.0004879800000000, -0.0007613700000000, -0.0015340900000000 ] - [ 0.0025140300000000, -0.0001060600000000, -0.0000115200000000 ] - [ 0.0024150500000000, 0.0002065800000000, 0.0002600600000000 ] - [ 0.0023160100000000, -0.0001051500000000, 0.0005329500000000 ] - [ 0.0055411400000000, -0.0152078100000000, -0.0034616300000000 ] - [ 0.0063018300000000, 0.0087509600000000, -0.0034917900000000 ] - [ 0.0047754000000000, 0.0087742500000000, -0.0034379900000000 ] - [ 0.0046501000000000, -0.0034763900000000, -0.0034300100000000 ] - [ 0.0047401300000000, 0.0017134400000000, -0.0027299500000000 ] - [ 0.0045613200000000, 0.0017376200000000, -0.0040806800000000 ] - [ 0.0049448100000000, -0.0093315700000000, -0.0025784800000000 ] - [ 0.0051890600000000, 0.0053709400000000, -0.0052850700000000 ] - [ 0.0047048300000000, 0.0053717200000000, 0.0001044300000000 ] - [ 0.0069228800000000, -0.0009517500000000, -0.0006746600000000 ] - [ 0.0069404400000000, 0.0004752000000000, -0.0005421200000000 ] - [ 0.0069055600000000, 0.0004806400000000, -0.0008049600000000 ] - [ 0.0045237500000000, -0.1926747600000000, -0.0041614900000000 ] - [ 0.0031171200000000, 0.0405156700000000, -0.0029572700000000 ] - [ 0.0063023900000000, 0.0400934800000000, -0.0056869900000000 ] - [ 0.0051998700000000, -0.0088213300000000, -0.0040110100000000 ] - [ 0.0052631300000000, 0.0050659800000000, -0.0017722000000000 ] - [ 0.0051407900000000, 0.0050882000000000, -0.0062209800000000 ] - [ 0.0068770000000000, -0.0010981800000000, 0.0043648600000000 ] - [ 0.0068883600000000, 0.0005911300000000, 0.0044925700000000 ] - [ 0.0068653700000000, 0.0005954300000000, 0.0042395300000000 ] - [ 0.0004278900000000, 0.0014969000000000, 0.0001050100000000 ] - [ 0.0001851100000000, -0.0007441200000000, 0.0007695800000000 ] - [ 0.0006722500000000, -0.0007496300000000, -0.0005475000000000 ] - [ -0.0003920500000000, 0.0109692300000000, -0.0000221700000000 ] - [ 0.0020654600000000, -0.0039655200000000, 0.0025519200000000 ] - [ -0.0026444500000000, -0.0039840100000000, -0.0023603700000000 ] - [ -0.0004980700000000, 0.0105438600000000, -0.0000674800000000 ] - [ 0.0016194100000000, -0.0035342800000000, -0.0027409800000000 ] - [ -0.0023933400000000, -0.0035588900000000, 0.0023780300000000 ] - [ 0.0000548700000000, 0.0108003500000000, -0.0000470500000000 ] - [ -0.0021714800000000, -0.0042683300000000, 0.0032398900000000 ] - [ 0.0020763200000000, -0.0042776600000000, -0.0031181200000000 ] - [ -0.0004773700000000, 0.0110004000000000, 0.0001264600000000 ] - [ -0.0025408100000000, -0.0040122800000000, -0.0031771000000000 ] - [ 0.0013612200000000, -0.0040293000000000, 0.0032216600000000 ] - [ 0.0000911000000000, 0.0012438400000000, 0.0000376700000000 ] - [ 0.0003124700000000, -0.0006128100000000, -0.0006222100000000 ] - [ -0.0001302700000000, -0.0006196500000000, 0.0006818400000000 ] - [ -0.0006086200000000, 0.0013743500000000, -0.0001555700000000 ] - [ -0.0008423800000000, -0.0006829800000000, -0.0007939300000000 ] - [ -0.0003740400000000, -0.0006899600000000, 0.0004698600000000 ] - [ -0.0092674100000000, 0.0004339100000000, -0.0045769000000000 ] - [ -0.0094364500000000, -0.0010470900000000, -0.0033079000000000 ] - [ -0.0096058700000000, 0.0004298900000000, -0.0020283600000000 ] - [ -0.0112288400000000, 0.0004420800000000, 0.0061915500000000 ] - [ -0.0111818200000000, -0.0008829700000000, 0.0051924200000000 ] - [ -0.0111350100000000, 0.0004380600000000, 0.0041841500000000 ] - [ -0.0032938900000000, 0.0004730400000000, 0.0099627700000000 ] - [ -0.0034614400000000, -0.0011193700000000, 0.0085043300000000 ] - [ -0.0036291600000000, 0.0004695300000000, 0.0070388700000000 ] - [ -0.0054436800000000, 0.0017260400000000, 0.0084709400000000 ] - [ -0.0059676200000000, -0.0033952400000000, 0.0049255800000000 ] - [ -0.0065038200000000, 0.0016795400000000, 0.0013493000000000 ] - [ -0.0026782300000000, 0.0141656800000000, 0.0034006700000000 ] - [ -0.0063963500000000, -0.0315290200000000, 0.0057572500000000 ] - [ -0.0100225900000000, 0.0091425000000000, 0.0080206800000000 ] - [ -0.0075525900000000, 0.0057219500000000, 0.0051178200000000 ] - [ -0.0075287900000000, -0.0125315800000000, 0.0047710200000000 ] - [ -0.0076039900000000, 0.0056572100000000, 0.0044156700000000 ] - [ -0.0080369400000000, 0.0035074900000000, 0.0204795400000000 ] - [ -0.0067587200000000, -0.0077866900000000, 0.0036677300000000 ] - [ -0.0054856100000000, 0.0034768300000000, -0.0131201300000000 ] - [ -0.0071943900000000, 0.0016156100000000, 0.0006715700000000 ] - [ -0.0069570500000000, -0.0031793100000000, 0.0044685700000000 ] - [ -0.0067223500000000, 0.0015653000000000, 0.0083080300000000 ] - [ -0.0088134200000000, 0.0004103700000000, 0.0016978600000000 ] - [ -0.0087621800000000, -0.0008196900000000, 0.0025050300000000 ] - [ -0.0087106500000000, 0.0004049700000000, 0.0033225100000000 ] - [ -0.0079274400000000, 0.0031939500000000, -0.0111069100000000 ] - [ -0.0070010300000000, -0.0072415600000000, 0.0051269200000000 ] - [ -0.0060760800000000, 0.0031561900000000, 0.0214151700000000 ]- atom: 91 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0006210500000000, 0.0000000000000000, -0.0006282200000000 ] - [ -0.0006336800000000, 0.0001102400000000, -0.0004174900000000 ] - [ -0.0006336800000000, -0.0001102400000000, -0.0004174900000000 ] - [ -0.0001177900000000, 0.0000000000000000, -0.0003540200000000 ] - [ -0.0001184100000000, -0.0000039500000000, -0.0003180700000000 ] - [ -0.0001184100000000, 0.0000039500000000, -0.0003180700000000 ] - [ -0.0001682000000000, 0.0000000000000000, -0.0001470400000000 ] - [ -0.0001668400000000, -0.0000028500000000, -0.0001088800000000 ] - [ -0.0001668400000000, 0.0000028500000000, -0.0001088800000000 ] - [ 0.0044847600000000, 0.0000000000000000, -0.0021926500000000 ] - [ 0.0045099600000000, -0.0006885000000000, -0.0037552800000000 ] - [ 0.0045099600000000, 0.0006885000000000, -0.0037552800000000 ] - [ 0.0095310000000000, 0.0000000000000000, -0.0028852900000000 ] - [ 0.0095542500000000, -0.0001315200000000, -0.0029569100000000 ] - [ 0.0095542500000000, 0.0001315200000000, -0.0029569100000000 ] - [ 0.0014800000000000, 0.0000000000000000, -0.0065171900000000 ] - [ 0.0014658700000000, -0.0001495500000000, -0.0065781600000000 ] - [ 0.0014658700000000, 0.0001495500000000, -0.0065781600000000 ] - [ -0.0006310400000000, -0.0008157700000000, -0.0038249500000000 ] - [ -0.0006163900000000, 0.0000000000000000, -0.0028922000000000 ] - [ -0.0006310400000000, 0.0008157700000000, -0.0038249500000000 ] - [ 0.0030632700000000, -0.0005855300000000, 0.0008469200000000 ] - [ 0.0023543900000000, 0.0000000000000000, 0.0001912400000000 ] - [ 0.0030632700000000, 0.0005855300000000, 0.0008469200000000 ] - [ -0.0003405000000000, -0.0002805800000000, 0.0007968500000000 ] - [ -0.0003132400000000, 0.0000000000000000, -0.0002441000000000 ] - [ -0.0003405000000000, 0.0002805800000000, 0.0007968500000000 ] - [ 0.0009863100000000, -0.0006793900000000, 0.0007432600000000 ] - [ 0.0015447800000000, 0.0000000000000000, -0.0000465600000000 ] - [ 0.0009863100000000, 0.0006793900000000, 0.0007432600000000 ] - [ -0.0001687900000000, -0.0001839900000000, 0.0003656000000000 ] - [ -0.0001731100000000, 0.0000000000000000, -0.0002943100000000 ] - [ -0.0001687900000000, 0.0001839900000000, 0.0003656000000000 ] - [ 0.0025439700000000, 0.0001613900000000, -0.0048723100000000 ] - [ 0.0024488200000000, 0.0000000000000000, -0.0011267000000000 ] - [ 0.0025439700000000, -0.0001613900000000, -0.0048723100000000 ] - [ 0.0007423000000000, -0.0144084600000000, 0.0073804900000000 ] - [ 0.0002266200000000, 0.0000000000000000, -0.0031150400000000 ] - [ 0.0007423000000000, 0.0144084600000000, 0.0073804900000000 ] - [ -0.0004020700000000, 0.0002215000000000, -0.0004917500000000 ] - [ -0.0004233600000000, 0.0000000000000000, -0.0012485200000000 ] - [ -0.0004020700000000, -0.0002215000000000, -0.0004917500000000 ] - [ 0.0013529300000000, 0.0006411200000000, 0.0012336500000000 ] - [ 0.0020863900000000, 0.0000000000000000, 0.0004211600000000 ] - [ 0.0013529300000000, -0.0006411200000000, 0.0012336500000000 ] - [ -0.0006020200000000, 0.0145643300000000, 0.0086436500000000 ] - [ -0.0004366300000000, 0.0000000000000000, -0.0036736200000000 ] - [ -0.0006020200000000, -0.0145643300000000, 0.0086436500000000 ] - [ 0.0017131400000000, -0.0001376900000000, -0.0046637100000000 ] - [ 0.0023482000000000, 0.0000000000000000, -0.0005198700000000 ] - [ 0.0017131400000000, 0.0001376900000000, -0.0046637100000000 ] - [ 0.0001377500000000, 0.0010877100000000, -0.0041120800000000 ] - [ 0.0001215100000000, 0.0000000000000000, -0.0033261200000000 ] - [ 0.0001377500000000, -0.0010877100000000, -0.0041120800000000 ] - [ 0.0028328700000000, 0.0000642400000000, 0.0003088100000000 ] - [ 0.0028503500000000, 0.0000000000000000, 0.0001511700000000 ] - [ 0.0028328700000000, -0.0000642400000000, 0.0003088100000000 ] - [ -0.0002774500000000, 0.0004026800000000, 0.0011623700000000 ] - [ -0.0002689400000000, 0.0000000000000000, 0.0000238100000000 ] - [ -0.0002774500000000, -0.0004026800000000, 0.0011623700000000 ] - [ 0.0015812000000000, -0.0000298700000000, 0.0003991700000000 ] - [ 0.0015558400000000, 0.0000000000000000, 0.0002497500000000 ] - [ 0.0015812000000000, 0.0000298700000000, 0.0003991700000000 ] - [ 0.0003944700000000, 0.0000114600000000, 0.0021087900000000 ] - [ 0.0004077700000000, 0.0000000000000000, 0.0016955000000000 ] - [ 0.0003944700000000, -0.0000114600000000, 0.0021087900000000 ] - [ 0.0024424300000000, 0.0000417500000000, 0.0004320000000000 ] - [ 0.0024199200000000, 0.0000000000000000, 0.0002840100000000 ] - [ 0.0024424300000000, -0.0000417500000000, 0.0004320000000000 ] - [ -0.0001520700000000, 0.0000021000000000, 0.0000860100000000 ] - [ -0.0001502500000000, 0.0000000000000000, -0.0002504200000000 ] - [ -0.0001520700000000, -0.0000021000000000, 0.0000860100000000 ] - [ 0.0037462400000000, 0.0007041800000000, 0.0008876300000000 ] - [ 0.0028700700000000, 0.0000000000000000, -0.0000009000000000 ] - [ 0.0037462400000000, -0.0007041800000000, 0.0008876300000000 ] - [ 0.0022850300000000, -0.0000312200000000, 0.0008782100000000 ] - [ 0.0023050600000000, 0.0000000000000000, 0.0007362600000000 ] - [ 0.0022850300000000, 0.0000312200000000, 0.0008782100000000 ] - [ 0.0054808300000000, 0.0000000000000000, -0.0064059700000000 ] - [ 0.0054792300000000, 0.0000046200000000, -0.0044980200000000 ] - [ 0.0054792300000000, -0.0000046200000000, -0.0044980200000000 ] - [ 0.0046336000000000, 0.0000000000000000, -0.0018733900000000 ] - [ 0.0046593300000000, 0.0008196200000000, -0.0034645900000000 ] - [ 0.0046593300000000, -0.0008196200000000, -0.0034645900000000 ] - [ 0.0047246900000000, 0.0000000000000000, -0.0007586300000000 ] - [ 0.0048901800000000, -0.0024284800000000, -0.0014179300000000 ] - [ 0.0048901800000000, 0.0024284800000000, -0.0014179300000000 ] - [ 0.0069577200000000, 0.0000000000000000, -0.0000459400000000 ] - [ 0.0069485100000000, 0.0001672700000000, -0.0001412300000000 ] - [ 0.0069485100000000, -0.0001672700000000, -0.0001412300000000 ] - [ 0.0060230800000000, 0.0000000000000000, -0.0603671700000000 ] - [ 0.0048582600000000, -0.0014270600000000, -0.0043814000000000 ] - [ 0.0048582600000000, 0.0014270600000000, -0.0043814000000000 ] - [ 0.0052969100000000, 0.0000000000000000, -0.0021616200000000 ] - [ 0.0051358400000000, 0.0028530600000000, -0.0028538300000000 ] - [ 0.0051358400000000, -0.0028530600000000, -0.0028538300000000 ] - [ 0.0068399300000000, 0.0000000000000000, 0.0050777200000000 ] - [ 0.0068342300000000, 0.0001769400000000, 0.0050075800000000 ] - [ 0.0068342300000000, -0.0001769400000000, 0.0050075800000000 ] - [ 0.0006666000000000, 0.0000000000000000, -0.0010216000000000 ] - [ 0.0006896900000000, 0.0002721900000000, -0.0006018200000000 ] - [ 0.0006896900000000, -0.0002721900000000, -0.0006018200000000 ] - [ -0.0054758600000000, 0.0000000000000000, 0.0001151400000000 ] - [ -0.0013724100000000, 0.0010117700000000, 0.0010921200000000 ] - [ -0.0013724100000000, -0.0010117700000000, 0.0010921200000000 ] - [ 0.0024708400000000, 0.0000000000000000, 0.0028078300000000 ] - [ 0.0004568900000000, -0.0010304200000000, 0.0013472600000000 ] - [ 0.0004568900000000, 0.0010304200000000, 0.0013472600000000 ] - [ 0.0052192000000000, 0.0000000000000000, -0.0008820600000000 ] - [ 0.0008651700000000, 0.0008313400000000, 0.0010805400000000 ] - [ 0.0008651700000000, -0.0008313400000000, 0.0010805400000000 ] - [ -0.0049373800000000, 0.0000000000000000, 0.0010830500000000 ] - [ -0.0013248100000000, -0.0008885800000000, 0.0016020600000000 ] - [ -0.0013248100000000, 0.0008885800000000, 0.0016020600000000 ] - [ 0.0003327800000000, 0.0000000000000000, -0.0011834200000000 ] - [ 0.0003395100000000, -0.0002766400000000, -0.0006552400000000 ] - [ 0.0003395100000000, 0.0002766400000000, -0.0006552400000000 ] - [ -0.0008791600000000, 0.0000000000000000, -0.0012972500000000 ] - [ -0.0008832800000000, -0.0003088800000000, -0.0008092400000000 ] - [ -0.0008832800000000, 0.0003088800000000, -0.0008092400000000 ] - [ -0.0091354600000000, -0.0001734800000000, -0.0066474100000000 ] - [ -0.0092134300000000, 0.0000000000000000, -0.0058988400000000 ] - [ -0.0091354600000000, 0.0001734800000000, -0.0066474100000000 ] - [ -0.0109339300000000, 0.0001302700000000, 0.0024091100000000 ] - [ -0.0109789000000000, 0.0000000000000000, 0.0030411800000000 ] - [ -0.0109339300000000, -0.0001302700000000, 0.0024091100000000 ] - [ -0.0038926600000000, 0.0001390600000000, 0.0050181000000000 ] - [ -0.0038267400000000, 0.0000000000000000, 0.0057207600000000 ] - [ -0.0038926600000000, -0.0001390600000000, 0.0050181000000000 ] - [ -0.0063140300000000, 0.0015198300000000, 0.0047567700000000 ] - [ -0.0060545700000000, 0.0000000000000000, 0.0050828400000000 ] - [ -0.0063140300000000, -0.0015198300000000, 0.0047567700000000 ] - [ -0.0062439300000000, -0.0009934400000000, 0.0266073900000000 ] - [ -0.0063501800000000, 0.0000000000000000, 0.0094366500000000 ] - [ -0.0062439300000000, 0.0009934400000000, 0.0266073900000000 ] - [ -0.0072641200000000, -0.0002148300000000, 0.0096759000000000 ] - [ -0.0074728000000000, 0.0000000000000000, 0.0074839800000000 ] - [ -0.0072641200000000, 0.0002148300000000, 0.0096759000000000 ] - [ -0.0061176900000000, 0.0017076300000000, -0.0033314400000000 ] - [ -0.0066334200000000, 0.0000000000000000, 0.0036632700000000 ] - [ -0.0061176900000000, -0.0017076300000000, -0.0033314400000000 ] - [ -0.0069228300000000, -0.0017098400000000, 0.0045407800000000 ] - [ -0.0069274600000000, 0.0000000000000000, 0.0051713400000000 ] - [ -0.0069228300000000, 0.0017098400000000, 0.0045407800000000 ] - [ -0.0088844200000000, -0.0001530900000000, 0.0001495500000000 ] - [ -0.0088392200000000, 0.0000000000000000, 0.0007747900000000 ] - [ -0.0088844200000000, 0.0001530900000000, 0.0001495500000000 ] - [ -0.0075621000000000, -0.0021514900000000, -0.0025785700000000 ] - [ -0.0071322200000000, 0.0000000000000000, 0.0059866200000000 ] - [ -0.0075621000000000, 0.0021514900000000, -0.0025785700000000 ]- atom: 91 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0004495100000000, 0.0000000000000000, 0.0004987600000000 ] - [ -0.0004356700000000, -0.0001112300000000, 0.0002852300000000 ] - [ -0.0004356700000000, 0.0001112300000000, 0.0002852300000000 ] - [ -0.0001468600000000, 0.0000000000000000, 0.0004717800000000 ] - [ -0.0001460500000000, 0.0000036800000000, 0.0004360500000000 ] - [ -0.0001460500000000, -0.0000036800000000, 0.0004360500000000 ] - [ -0.0001437400000000, 0.0000000000000000, 0.0007684500000000 ] - [ -0.0001448600000000, 0.0000025600000000, 0.0007303500000000 ] - [ -0.0001448600000000, -0.0000025600000000, 0.0007303500000000 ] - [ 0.0044877300000000, 0.0000000000000000, -0.0052232800000000 ] - [ 0.0044650800000000, 0.0006971400000000, -0.0036372200000000 ] - [ 0.0044650800000000, -0.0006971400000000, -0.0036372200000000 ] - [ 0.0097418600000000, 0.0000000000000000, -0.0040024300000000 ] - [ 0.0097185300000000, 0.0001332900000000, -0.0039306100000000 ] - [ 0.0097185300000000, -0.0001332900000000, -0.0039306100000000 ] - [ 0.0012782800000000, 0.0000000000000000, -0.0079121600000000 ] - [ 0.0012921700000000, 0.0001516200000000, -0.0078520700000000 ] - [ 0.0012921700000000, -0.0001516200000000, -0.0078520700000000 ] - [ -0.0006638300000000, 0.0008266900000000, 0.0012502300000000 ] - [ -0.0006778000000000, 0.0000000000000000, 0.0003079700000000 ] - [ -0.0006638300000000, -0.0008266900000000, 0.0012502300000000 ] - [ 0.0008749100000000, 0.0005913700000000, -0.0003319600000000 ] - [ 0.0015812600000000, 0.0000000000000000, 0.0003285700000000 ] - [ 0.0008749100000000, -0.0005913700000000, -0.0003319600000000 ] - [ -0.0002968600000000, 0.0002856500000000, -0.0047565100000000 ] - [ -0.0003241000000000, 0.0000000000000000, -0.0037083000000000 ] - [ -0.0002968600000000, -0.0002856500000000, -0.0047565100000000 ] - [ 0.0029116300000000, 0.0006864200000000, -0.0006309200000000 ] - [ 0.0023535400000000, 0.0000000000000000, 0.0001654800000000 ] - [ 0.0029116300000000, -0.0006864200000000, -0.0006309200000000 ] - [ 0.0000697000000000, 0.0001859100000000, -0.0030188000000000 ] - [ 0.0000749900000000, 0.0000000000000000, -0.0023509200000000 ] - [ 0.0000697000000000, -0.0001859100000000, -0.0030188000000000 ] - [ 0.0021176100000000, -0.0002250900000000, 0.0046833300000000 ] - [ 0.0021241700000000, 0.0000000000000000, 0.0009420600000000 ] - [ 0.0021176100000000, 0.0002250900000000, 0.0046833300000000 ] - [ -0.0000589500000000, 0.0146165700000000, -0.0099165000000000 ] - [ 0.0004616000000000, 0.0000000000000000, 0.0006873300000000 ] - [ -0.0000589500000000, -0.0146165700000000, -0.0099165000000000 ] - [ -0.0006079300000000, -0.0002188300000000, -0.0033989400000000 ] - [ -0.0005866700000000, 0.0000000000000000, -0.0026493000000000 ] - [ -0.0006079300000000, 0.0002188300000000, -0.0033989400000000 ] - [ 0.0036070100000000, -0.0006342700000000, -0.0001545000000000 ] - [ 0.0028767400000000, 0.0000000000000000, 0.0006516900000000 ] - [ 0.0036070100000000, 0.0006342700000000, -0.0001545000000000 ] - [ -0.0003546900000000, -0.0143684400000000, -0.0108929000000000 ] - [ -0.0005187500000000, 0.0000000000000000, 0.0013150100000000 ] - [ -0.0003546900000000, 0.0143684400000000, -0.0108929000000000 ] - [ 0.0033986700000000, 0.0000736800000000, 0.0055474200000000 ] - [ 0.0028484800000000, 0.0000000000000000, 0.0014030900000000 ] - [ 0.0033986700000000, -0.0000736800000000, 0.0055474200000000 ] - [ 0.0001252300000000, -0.0010727300000000, 0.0010632300000000 ] - [ 0.0001416700000000, 0.0000000000000000, 0.0002870100000000 ] - [ 0.0001252300000000, 0.0010727300000000, 0.0010632300000000 ] - [ 0.0030378000000000, -0.0000635400000000, -0.0010085600000000 ] - [ 0.0030206400000000, 0.0000000000000000, -0.0008516200000000 ] - [ 0.0030378000000000, 0.0000635400000000, -0.0010085600000000 ] - [ -0.0002861800000000, -0.0003963900000000, -0.0039862600000000 ] - [ -0.0002945300000000, 0.0000000000000000, -0.0028565300000000 ] - [ -0.0002861800000000, 0.0003963900000000, -0.0039862600000000 ] - [ 0.0012488500000000, 0.0000301600000000, -0.0007630700000000 ] - [ 0.0012742100000000, 0.0000000000000000, -0.0006128400000000 ] - [ 0.0012488500000000, -0.0000301600000000, -0.0007630700000000 ] - [ 0.0004425900000000, -0.0000104200000000, -0.0030163500000000 ] - [ 0.0004298900000000, 0.0000000000000000, -0.0026036600000000 ] - [ 0.0004425900000000, 0.0000104200000000, -0.0030163500000000 ] - [ 0.0022556400000000, -0.0000411400000000, -0.0007623700000000 ] - [ 0.0022776900000000, 0.0000000000000000, -0.0006153800000000 ] - [ 0.0022556400000000, 0.0000411400000000, -0.0007623700000000 ] - [ -0.0000984300000000, -0.0000016100000000, -0.0042077600000000 ] - [ -0.0001003200000000, 0.0000000000000000, -0.0038707900000000 ] - [ -0.0000984300000000, 0.0000016100000000, -0.0042077600000000 ] - [ 0.0011208400000000, -0.0006964700000000, -0.0005157600000000 ] - [ 0.0019917300000000, 0.0000000000000000, 0.0003659600000000 ] - [ 0.0011208400000000, 0.0006964700000000, -0.0005157600000000 ] - [ 0.0025428000000000, 0.0000316300000000, -0.0003545300000000 ] - [ 0.0025227100000000, 0.0000000000000000, -0.0002118800000000 ] - [ 0.0025428000000000, -0.0000316300000000, -0.0003545300000000 ] - [ 0.0055731300000000, 0.0000000000000000, -0.0005346200000000 ] - [ 0.0055732600000000, -0.0000188900000000, -0.0024382700000000 ] - [ 0.0055732600000000, 0.0000188900000000, -0.0024382700000000 ] - [ 0.0046643800000000, 0.0000000000000000, -0.0049217400000000 ] - [ 0.0046407800000000, -0.0008111000000000, -0.0033537700000000 ] - [ 0.0046407800000000, 0.0008111000000000, -0.0033537700000000 ] - [ 0.0051720400000000, 0.0000000000000000, -0.0044078300000000 ] - [ 0.0050037900000000, 0.0024557900000000, -0.0037464000000000 ] - [ 0.0050037900000000, -0.0024557900000000, -0.0037464000000000 ] - [ 0.0068879400000000, 0.0000000000000000, -0.0012978400000000 ] - [ 0.0068973200000000, -0.0001652000000000, -0.0012031300000000 ] - [ 0.0068973200000000, 0.0001652000000000, -0.0012031300000000 ] - [ 0.0035878500000000, 0.0000000000000000, 0.0515193200000000 ] - [ 0.0045903200000000, 0.0013050200000000, -0.0042987200000000 ] - [ 0.0045903200000000, -0.0013050200000000, -0.0042987200000000 ] - [ 0.0051107300000000, 0.0000000000000000, -0.0058324700000000 ] - [ 0.0052678500000000, -0.0028237900000000, -0.0051423400000000 ] - [ 0.0052678500000000, 0.0028237900000000, -0.0051423400000000 ] - [ 0.0069149000000000, 0.0000000000000000, 0.0036570300000000 ] - [ 0.0069200100000000, -0.0001743700000000, 0.0037274100000000 ] - [ 0.0069200100000000, 0.0001743700000000, 0.0037274100000000 ] - [ 0.0001964900000000, 0.0000000000000000, 0.0012399200000000 ] - [ 0.0001706400000000, -0.0002745500000000, 0.0008171100000000 ] - [ 0.0001706400000000, 0.0002745500000000, 0.0008171100000000 ] - [ 0.0047476400000000, 0.0000000000000000, -0.0000893300000000 ] - [ 0.0007673300000000, -0.0010152000000000, -0.0009357100000000 ] - [ 0.0007673300000000, 0.0010152000000000, -0.0009357100000000 ] - [ -0.0034623600000000, 0.0000000000000000, -0.0029319100000000 ] - [ -0.0012501000000000, 0.0010251500000000, -0.0016605400000000 ] - [ -0.0012501000000000, -0.0010251500000000, -0.0016605400000000 ] - [ -0.0052178600000000, 0.0000000000000000, 0.0008794900000000 ] - [ -0.0009358400000000, -0.0008339000000000, -0.0010066700000000 ] - [ -0.0009358400000000, 0.0008339000000000, -0.0010066700000000 ] - [ 0.0038932900000000, 0.0000000000000000, -0.0008618000000000 ] - [ 0.0001645800000000, 0.0008858400000000, -0.0014968100000000 ] - [ 0.0001645800000000, -0.0008858400000000, -0.0014968100000000 ] - [ -0.0001524900000000, 0.0000000000000000, 0.0012385900000000 ] - [ -0.0001569500000000, 0.0002741100000000, 0.0007149100000000 ] - [ -0.0001569500000000, -0.0002741100000000, 0.0007149100000000 ] - [ -0.0003357900000000, 0.0000000000000000, 0.0009691200000000 ] - [ -0.0003332100000000, 0.0003058500000000, 0.0004864200000000 ] - [ -0.0003332100000000, -0.0003058500000000, 0.0004864200000000 ] - [ -0.0097370300000000, 0.0001713700000000, 0.0000259700000000 ] - [ -0.0096599800000000, 0.0000000000000000, -0.0007177500000000 ] - [ -0.0097370300000000, -0.0001713700000000, 0.0000259700000000 ] - [ -0.0114285700000000, -0.0001320200000000, 0.0079613800000000 ] - [ -0.0113829200000000, 0.0000000000000000, 0.0073242900000000 ] - [ -0.0114285700000000, 0.0001320200000000, 0.0079613800000000 ] - [ -0.0030321000000000, -0.0001404700000000, 0.0119691900000000 ] - [ -0.0030983800000000, 0.0000000000000000, 0.0112638300000000 ] - [ -0.0030321000000000, 0.0001404700000000, 0.0119691900000000 ] - [ -0.0056256000000000, -0.0015394400000000, 0.0050615100000000 ] - [ -0.0058816900000000, 0.0000000000000000, 0.0047323000000000 ] - [ -0.0056256000000000, 0.0015394400000000, 0.0050615100000000 ] - [ -0.0065631500000000, 0.0007734600000000, -0.0150525000000000 ] - [ -0.0064389000000000, 0.0000000000000000, 0.0020905300000000 ] - [ -0.0065631500000000, -0.0007734600000000, -0.0150525000000000 ] - [ -0.0077876400000000, 0.0002006500000000, -0.0001268400000000 ] - [ -0.0075726800000000, 0.0000000000000000, 0.0020663700000000 ] - [ -0.0077876400000000, -0.0002006500000000, -0.0001268400000000 ] - [ -0.0073995800000000, -0.0017317300000000, 0.0106464600000000 ] - [ -0.0068809300000000, 0.0000000000000000, 0.0035859700000000 ] - [ -0.0073995800000000, 0.0017317300000000, 0.0106464600000000 ] - [ -0.0069880700000000, 0.0016872600000000, 0.0044339700000000 ] - [ -0.0069831700000000, 0.0000000000000000, 0.0038096200000000 ] - [ -0.0069880700000000, -0.0016872600000000, 0.0044339700000000 ] - [ -0.0086394400000000, 0.0001520100000000, 0.0048561400000000 ] - [ -0.0086840300000000, 0.0000000000000000, 0.0042363200000000 ] - [ -0.0086394400000000, -0.0001520100000000, 0.0048561400000000 ] - [ -0.0064417500000000, 0.0021182500000000, 0.0128521900000000 ] - [ -0.0068670700000000, 0.0000000000000000, 0.0043560300000000 ] - [ -0.0064417500000000, -0.0021182500000000, 0.0128521900000000 ]- atom: 94 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005307900000000, 0.0000000000000000, -0.0000695400000000 ] - [ -0.0005307100000000, 0.0000031100000000, -0.0000697700000000 ] - [ -0.0005307100000000, -0.0000031100000000, -0.0000697700000000 ] - [ -0.0001162000000000, 0.0000000000000000, 0.0001371600000000 ] - [ -0.0001088000000000, 0.0000267100000000, 0.0000882200000000 ] - [ -0.0001088000000000, -0.0000267100000000, 0.0000882200000000 ] - [ -0.0001848900000000, 0.0000000000000000, 0.0002774300000000 ] - [ -0.0001811200000000, -0.0000039700000000, 0.0002900200000000 ] - [ -0.0001811200000000, 0.0000039700000000, 0.0002900200000000 ] - [ 0.0044859000000000, 0.0000000000000000, -0.0036821400000000 ] - [ 0.0044971200000000, -0.0000165400000000, -0.0036915300000000 ] - [ 0.0044971200000000, 0.0000165400000000, -0.0036915300000000 ] - [ 0.0096385500000000, 0.0000000000000000, -0.0034513400000000 ] - [ 0.0096415000000000, -0.0000150200000000, -0.0034467700000000 ] - [ 0.0096415000000000, 0.0000150200000000, -0.0034467700000000 ] - [ 0.0013799900000000, 0.0000000000000000, -0.0071999600000000 ] - [ 0.0013808000000000, -0.0000147500000000, -0.0071966300000000 ] - [ 0.0013808000000000, 0.0000147500000000, -0.0071966300000000 ] - [ -0.0005918600000000, -0.0000096900000000, -0.0011861700000000 ] - [ -0.0006249100000000, 0.0000000000000000, -0.0012885200000000 ] - [ -0.0005918600000000, 0.0000096900000000, -0.0011861700000000 ] - [ 0.0019515200000000, -0.0000025900000000, 0.0002644800000000 ] - [ 0.0019553400000000, 0.0000000000000000, 0.0002618700000000 ] - [ 0.0019515200000000, 0.0000025900000000, 0.0002644800000000 ] - [ -0.0003227700000000, -0.0000028400000000, -0.0019502000000000 ] - [ -0.0003179500000000, 0.0000000000000000, -0.0019513000000000 ] - [ -0.0003227700000000, 0.0000028400000000, -0.0019502000000000 ] - [ 0.0019624800000000, -0.0000086100000000, 0.0000636700000000 ] - [ 0.0019587100000000, 0.0000000000000000, 0.0000452800000000 ] - [ 0.0019624800000000, 0.0000086100000000, 0.0000636700000000 ] - [ -0.0000415400000000, -0.0000042500000000, -0.0013139400000000 ] - [ -0.0000450700000000, 0.0000000000000000, -0.0013149300000000 ] - [ -0.0000415400000000, 0.0000042500000000, -0.0013139400000000 ] - [ 0.0022435300000000, -0.0005124300000000, 0.0003229500000000 ] - [ 0.0022279200000000, 0.0000000000000000, -0.0000466700000000 ] - [ 0.0022435300000000, 0.0005124300000000, 0.0003229500000000 ] - [ 0.0002612700000000, -0.0000308600000000, -0.0012450700000000 ] - [ 0.0003092600000000, 0.0000000000000000, -0.0013146600000000 ] - [ 0.0002612700000000, 0.0000308600000000, -0.0012450700000000 ] - [ 0.0012902800000000, 0.0001715900000000, -0.0021671600000000 ] - [ -0.0003534100000000, 0.0000000000000000, -0.0019981000000000 ] - [ 0.0012902800000000, -0.0001715900000000, -0.0021671600000000 ] - [ 0.0157253400000000, -0.0138434700000000, 0.0003595700000000 ] - [ 0.0023722400000000, 0.0000000000000000, 0.0006046800000000 ] - [ 0.0157253400000000, 0.0138434700000000, 0.0003595700000000 ] - [ -0.0044008100000000, -0.0002887000000000, -0.0017480800000000 ] - [ -0.0006109200000000, 0.0000000000000000, -0.0015214500000000 ] - [ -0.0044008100000000, 0.0002887000000000, -0.0017480800000000 ] - [ 0.0026288200000000, 0.0002839100000000, 0.0001028900000000 ] - [ 0.0026416900000000, 0.0000000000000000, 0.0002950200000000 ] - [ 0.0026288200000000, -0.0002839100000000, 0.0001028900000000 ] - [ 0.0018108900000000, -0.0001167000000000, -0.0010552100000000 ] - [ 0.0002327200000000, 0.0000000000000000, -0.0014302300000000 ] - [ 0.0018108900000000, 0.0001167000000000, -0.0010552100000000 ] - [ 0.0027941000000000, -0.0006185800000000, -0.0009481100000000 ] - [ 0.0028345300000000, 0.0000000000000000, -0.0004872400000000 ] - [ 0.0027941000000000, 0.0006185800000000, -0.0009481100000000 ] - [ -0.0039001100000000, 0.0007455400000000, 0.0001099400000000 ] - [ -0.0004285200000000, 0.0000000000000000, -0.0010677600000000 ] - [ -0.0039001100000000, -0.0007455400000000, 0.0001099400000000 ] - [ 0.0013794700000000, -0.0000008600000000, -0.0001836400000000 ] - [ 0.0013907000000000, 0.0000000000000000, -0.0001755000000000 ] - [ 0.0013794700000000, 0.0000008600000000, -0.0001836400000000 ] - [ 0.0002900600000000, 0.0000033500000000, -0.0003266900000000 ] - [ 0.0003815100000000, 0.0000000000000000, -0.0003060000000000 ] - [ 0.0002900600000000, -0.0000033500000000, -0.0003266900000000 ] - [ 0.0023757200000000, 0.0001946800000000, 0.0000163000000000 ] - [ 0.0024221100000000, 0.0000000000000000, -0.0000954600000000 ] - [ 0.0023757200000000, -0.0001946800000000, 0.0000163000000000 ] - [ -0.0000867400000000, -0.0000037200000000, -0.0021567700000000 ] - [ -0.0001120600000000, 0.0000000000000000, -0.0020841000000000 ] - [ -0.0000867400000000, 0.0000037200000000, -0.0021567700000000 ] - [ 0.0138825200000000, 0.0139648700000000, -0.0004130700000000 ] - [ 0.0031014700000000, 0.0000000000000000, 0.0001707000000000 ] - [ 0.0138825200000000, -0.0139648700000000, -0.0004130700000000 ] - [ 0.0024451800000000, -0.0000037100000000, 0.0002653100000000 ] - [ 0.0024375400000000, 0.0000000000000000, 0.0002711600000000 ] - [ 0.0024451800000000, 0.0000037100000000, 0.0002653100000000 ] - [ 0.0072392400000000, 0.0000000000000000, -0.0034550100000000 ] - [ 0.0056701400000000, -0.0001258400000000, -0.0034685100000000 ] - [ 0.0056701400000000, 0.0001258400000000, -0.0034685100000000 ] - [ 0.0088314000000000, 0.0000000000000000, -0.0033460600000000 ] - [ 0.0072304700000000, -0.0006777800000000, -0.0033341200000000 ] - [ 0.0072304700000000, 0.0006777800000000, -0.0033341200000000 ] - [ 0.0049505300000000, 0.0000000000000000, -0.0025744000000000 ] - [ 0.0049403800000000, -0.0000173300000000, -0.0025792300000000 ] - [ 0.0049403800000000, 0.0000173300000000, -0.0025792300000000 ] - [ 0.0088285100000000, 0.0000000000000000, -0.0007295500000000 ] - [ 0.0070727500000000, -0.0001015600000000, -0.0006649200000000 ] - [ 0.0070727500000000, 0.0001015600000000, -0.0006649200000000 ] - [ 0.0037524500000000, 0.0000000000000000, -0.0042405200000000 ] - [ 0.0046416100000000, -0.0000647200000000, -0.0043944300000000 ] - [ 0.0046416100000000, 0.0000647200000000, -0.0043944300000000 ] - [ -0.0495170100000000, 0.0000000000000000, -0.0034958600000000 ] - [ 0.0059467400000000, 0.0019161600000000, -0.0038152600000000 ] - [ 0.0059467400000000, -0.0019161600000000, -0.0038152600000000 ] - [ 0.0060316000000000, 0.0000000000000000, 0.0043744400000000 ] - [ 0.0067748500000000, 0.0000975100000000, 0.0045520900000000 ] - [ 0.0067748500000000, -0.0000975100000000, 0.0045520900000000 ] - [ 0.0004206800000000, 0.0000000000000000, 0.0001000500000000 ] - [ 0.0004202200000000, 0.0000075000000000, 0.0001021200000000 ] - [ 0.0004202200000000, -0.0000075000000000, 0.0001021200000000 ] - [ -0.0002796200000000, 0.0000000000000000, -0.0000434900000000 ] - [ -0.0002717700000000, 0.0000562100000000, 0.0000406000000000 ] - [ -0.0002717700000000, -0.0000562100000000, 0.0000406000000000 ] - [ -0.0010613500000000, 0.0000000000000000, -0.0046083200000000 ] - [ -0.0000453300000000, 0.0006502300000000, -0.0007361600000000 ] - [ -0.0000453300000000, -0.0006502300000000, -0.0007361600000000 ] - [ -0.0000708000000000, 0.0000000000000000, 0.0001016000000000 ] - [ -0.0000694400000000, -0.0000027300000000, 0.0000993000000000 ] - [ -0.0000694400000000, 0.0000027300000000, 0.0000993000000000 ] - [ -0.0033787900000000, 0.0000000000000000, 0.0057438400000000 ] - [ -0.0007623800000000, -0.0006492300000000, 0.0008712600000000 ] - [ -0.0007623800000000, 0.0006492300000000, 0.0008712600000000 ] - [ 0.0007586400000000, 0.0000000000000000, 0.0036151900000000 ] - [ 0.0004429100000000, 0.0008134600000000, 0.0007346000000000 ] - [ 0.0004429100000000, -0.0008134600000000, 0.0007346000000000 ] - [ -0.0028075300000000, 0.0000000000000000, -0.0044851600000000 ] - [ -0.0008978700000000, -0.0006972200000000, -0.0009502300000000 ] - [ -0.0008978700000000, 0.0006972200000000, -0.0009502300000000 ] - [ -0.0083775200000000, 0.0001360800000000, -0.0040271300000000 ] - [ -0.0091983000000000, 0.0000000000000000, -0.0036291100000000 ] - [ -0.0083775200000000, -0.0001360800000000, -0.0040271300000000 ] - [ -0.0111904400000000, 0.0000147400000000, 0.0052396600000000 ] - [ -0.0111862100000000, 0.0000000000000000, 0.0051884100000000 ] - [ -0.0111904400000000, -0.0000147400000000, 0.0052396600000000 ] - [ -0.0034641200000000, 0.0000127800000000, 0.0084048700000000 ] - [ -0.0034726300000000, 0.0000000000000000, 0.0083856600000000 ] - [ -0.0034641200000000, -0.0000127800000000, 0.0084048700000000 ] - [ -0.0059743400000000, 0.0000138200000000, 0.0048541600000000 ] - [ -0.0059778100000000, 0.0000000000000000, 0.0049020300000000 ] - [ -0.0059743400000000, -0.0000138200000000, 0.0048541600000000 ] - [ -0.0057187800000000, 0.0001535100000000, 0.0060540800000000 ] - [ -0.0062448400000000, 0.0000000000000000, 0.0060244900000000 ] - [ -0.0057187800000000, -0.0001535100000000, 0.0060540800000000 ] - [ -0.0082022800000000, 0.0001379700000000, 0.0044380700000000 ] - [ -0.0076500600000000, 0.0000000000000000, 0.0047604900000000 ] - [ -0.0082022800000000, -0.0001379700000000, 0.0044380700000000 ] - [ -0.0067512300000000, 0.0000145000000000, 0.0036289200000000 ] - [ -0.0067458500000000, 0.0000000000000000, 0.0036591200000000 ] - [ -0.0067512300000000, -0.0000145000000000, 0.0036289200000000 ] - [ -0.0221875600000000, 0.0006802000000000, 0.0037660400000000 ] - [ -0.0073657500000000, 0.0000000000000000, 0.0044117000000000 ] - [ -0.0221875600000000, -0.0006802000000000, 0.0037660400000000 ] - [ -0.0094890600000000, 0.0001259000000000, 0.0026968700000000 ] - [ -0.0089117000000000, 0.0000000000000000, 0.0025361400000000 ] - [ -0.0094890600000000, -0.0001259000000000, 0.0026968700000000 ] - [ 0.0104714700000000, 0.0015358000000000, 0.0052439300000000 ] - [ -0.0066014900000000, 0.0000000000000000, 0.0051436600000000 ] - [ 0.0104714700000000, -0.0015358000000000, 0.0052439300000000 ]- atom: 94 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005400100000000, 0.0000000000000000, -0.0000608000000000 ] - [ -0.0005400400000000, -0.0000033300000000, -0.0000619200000000 ] - [ -0.0005400400000000, 0.0000033300000000, -0.0000619200000000 ] - [ -0.0001518500000000, 0.0000000000000000, -0.0000239500000000 ] - [ -0.0001584400000000, -0.0000276700000000, 0.0000287200000000 ] - [ -0.0001584400000000, 0.0000276700000000, 0.0000287200000000 ] - [ -0.0001242700000000, 0.0000000000000000, 0.0003405600000000 ] - [ -0.0001282800000000, 0.0000032000000000, 0.0003301500000000 ] - [ -0.0001282800000000, -0.0000032000000000, 0.0003301500000000 ] - [ 0.0044882500000000, 0.0000000000000000, -0.0037178200000000 ] - [ 0.0044779300000000, 0.0000197300000000, -0.0037078800000000 ] - [ 0.0044779300000000, -0.0000197300000000, -0.0037078800000000 ] - [ 0.0096336700000000, 0.0000000000000000, -0.0034358100000000 ] - [ 0.0096307700000000, 0.0000168800000000, -0.0034409300000000 ] - [ 0.0096307700000000, -0.0000168800000000, -0.0034409300000000 ] - [ 0.0013785100000000, 0.0000000000000000, -0.0072297000000000 ] - [ 0.0013775200000000, 0.0000161800000000, -0.0072333900000000 ] - [ 0.0013775200000000, -0.0000161800000000, -0.0072333900000000 ] - [ -0.0007021000000000, 0.0000116100000000, -0.0014233000000000 ] - [ -0.0006685500000000, 0.0000000000000000, -0.0013151900000000 ] - [ -0.0007021000000000, -0.0000116100000000, -0.0014233000000000 ] - [ 0.0019917100000000, 0.0000029300000000, 0.0002487500000000 ] - [ 0.0019828500000000, 0.0000000000000000, 0.0002518100000000 ] - [ 0.0019917100000000, -0.0000029300000000, 0.0002487500000000 ] - [ -0.0003148900000000, 0.0000031500000000, -0.0020041600000000 ] - [ -0.0003197500000000, 0.0000000000000000, -0.0020038500000000 ] - [ -0.0003148900000000, -0.0000031500000000, -0.0020041600000000 ] - [ 0.0019294300000000, 0.0000088900000000, 0.0000469700000000 ] - [ 0.0019355900000000, 0.0000000000000000, 0.0000657100000000 ] - [ 0.0019294300000000, -0.0000088900000000, 0.0000469700000000 ] - [ -0.0000590200000000, 0.0000044300000000, -0.0013394800000000 ] - [ -0.0000545400000000, 0.0000000000000000, -0.0013365600000000 ] - [ -0.0000590200000000, -0.0000044300000000, -0.0013394800000000 ] - [ 0.0023270100000000, 0.0005214300000000, -0.0005109100000000 ] - [ 0.0023377500000000, 0.0000000000000000, -0.0001361500000000 ] - [ 0.0023270100000000, -0.0005214300000000, -0.0005109100000000 ] - [ 0.0004275800000000, 0.0000314700000000, -0.0012129900000000 ] - [ 0.0003788500000000, 0.0000000000000000, -0.0011444800000000 ] - [ 0.0004275800000000, -0.0000314700000000, -0.0012129900000000 ] - [ -0.0023005700000000, -0.0001581100000000, -0.0017121800000000 ] - [ -0.0006589900000000, 0.0000000000000000, -0.0018920300000000 ] - [ -0.0023005700000000, 0.0001581100000000, -0.0017121800000000 ] - [ -0.0108201000000000, 0.0140331800000000, 0.0007211200000000 ] - [ 0.0026299200000000, 0.0000000000000000, 0.0004732000000000 ] - [ -0.0108201000000000, -0.0140331800000000, 0.0007211200000000 ] - [ 0.0034497900000000, 0.0002243300000000, -0.0004547800000000 ] - [ -0.0003440200000000, 0.0000000000000000, -0.0007754700000000 ] - [ 0.0034497900000000, -0.0002243300000000, -0.0004547800000000 ] - [ 0.0025702700000000, -0.0002776900000000, 0.0007782400000000 ] - [ 0.0025621800000000, 0.0000000000000000, 0.0005892700000000 ] - [ 0.0025702700000000, 0.0002776900000000, 0.0007782400000000 ] - [ -0.0015487400000000, 0.0001276400000000, -0.0019831600000000 ] - [ 0.0000306600000000, 0.0000000000000000, -0.0015947100000000 ] - [ -0.0015487400000000, -0.0001276400000000, -0.0019831600000000 ] - [ 0.0030919700000000, 0.0006295600000000, 0.0002529000000000 ] - [ 0.0030439900000000, 0.0000000000000000, -0.0002141200000000 ] - [ 0.0030919700000000, -0.0006295600000000, 0.0002529000000000 ] - [ 0.0033240600000000, -0.0008070500000000, -0.0030459800000000 ] - [ -0.0001361600000000, 0.0000000000000000, -0.0017812900000000 ] - [ 0.0033240600000000, 0.0008070500000000, -0.0030459800000000 ] - [ 0.0014540200000000, 0.0000011100000000, -0.0001800800000000 ] - [ 0.0014420700000000, 0.0000000000000000, -0.0001888800000000 ] - [ 0.0014540200000000, -0.0000011100000000, -0.0001800800000000 ] - [ 0.0005498600000000, -0.0000035900000000, -0.0005905600000000 ] - [ 0.0004572400000000, 0.0000000000000000, -0.0006105900000000 ] - [ 0.0005498600000000, 0.0000035900000000, -0.0005905600000000 ] - [ 0.0023087300000000, -0.0001884700000000, -0.0003470600000000 ] - [ 0.0022692000000000, 0.0000000000000000, -0.0002371700000000 ] - [ 0.0023087300000000, 0.0001884700000000, -0.0003470600000000 ] - [ -0.0001641300000000, 0.0000058700000000, -0.0019578700000000 ] - [ -0.0001386300000000, 0.0000000000000000, -0.0020377400000000 ] - [ -0.0001641300000000, -0.0000058700000000, -0.0019578700000000 ] - [ -0.0089605000000000, -0.0137530900000000, 0.0007751600000000 ] - [ 0.0017277000000000, 0.0000000000000000, 0.0002007900000000 ] - [ -0.0089605000000000, 0.0137530900000000, 0.0007751600000000 ] - [ 0.0023793600000000, 0.0000041300000000, 0.0002584900000000 ] - [ 0.0023875700000000, 0.0000000000000000, 0.0002518300000000 ] - [ 0.0023793600000000, -0.0000041300000000, 0.0002584900000000 ] - [ 0.0038147200000000, 0.0000000000000000, -0.0035025900000000 ] - [ 0.0053834000000000, 0.0001328800000000, -0.0034683500000000 ] - [ 0.0053834000000000, -0.0001328800000000, -0.0034683500000000 ] - [ 0.0004684000000000, 0.0000000000000000, -0.0034727900000000 ] - [ 0.0020725700000000, 0.0007285700000000, -0.0034786900000000 ] - [ 0.0020725700000000, -0.0007285700000000, -0.0034786900000000 ] - [ 0.0049433100000000, 0.0000000000000000, -0.0025844600000000 ] - [ 0.0049535800000000, 0.0000185400000000, -0.0025789600000000 ] - [ 0.0049535800000000, -0.0000185400000000, -0.0025789600000000 ] - [ 0.0050170900000000, 0.0000000000000000, -0.0005879100000000 ] - [ 0.0067720100000000, 0.0001113400000000, -0.0006784800000000 ] - [ 0.0067720100000000, -0.0001113400000000, -0.0006784800000000 ] - [ 0.0056892600000000, 0.0000000000000000, -0.0044249100000000 ] - [ 0.0047979500000000, 0.0000585900000000, -0.0042623400000000 ] - [ 0.0047979500000000, -0.0000585900000000, -0.0042623400000000 ] - [ 0.0600503600000000, 0.0000000000000000, -0.0046474500000000 ] - [ 0.0044751700000000, -0.0020348600000000, -0.0041913200000000 ] - [ 0.0044751700000000, 0.0020348600000000, -0.0041913200000000 ] - [ 0.0077267400000000, 0.0000000000000000, 0.0043558100000000 ] - [ 0.0069821700000000, -0.0001033300000000, 0.0041697500000000 ] - [ 0.0069821700000000, 0.0001033300000000, 0.0041697500000000 ] - [ 0.0004439700000000, 0.0000000000000000, 0.0001159500000000 ] - [ 0.0004434400000000, -0.0000079400000000, 0.0001148300000000 ] - [ 0.0004434400000000, 0.0000079400000000, 0.0001148300000000 ] - [ -0.0003309600000000, 0.0000000000000000, 0.0002256500000000 ] - [ -0.0003359300000000, -0.0000568300000000, 0.0001365400000000 ] - [ -0.0003359300000000, 0.0000568300000000, 0.0001365400000000 ] - [ 0.0001216500000000, 0.0000000000000000, 0.0041528800000000 ] - [ -0.0007675500000000, -0.0006539000000000, 0.0003975700000000 ] - [ -0.0007675500000000, 0.0006539000000000, 0.0003975700000000 ] - [ 0.0000040200000000, 0.0000000000000000, -0.0000021200000000 ] - [ 0.0000005900000000, 0.0000009200000000, -0.0000028600000000 ] - [ 0.0000005900000000, -0.0000009200000000, -0.0000028600000000 ] - [ 0.0023158500000000, 0.0000000000000000, -0.0057214900000000 ] - [ -0.0003803700000000, 0.0006452100000000, -0.0007910400000000 ] - [ -0.0003803700000000, -0.0006452100000000, -0.0007910400000000 ] - [ -0.0007865900000000, 0.0000000000000000, -0.0033737800000000 ] - [ -0.0002811500000000, -0.0008199400000000, -0.0006751600000000 ] - [ -0.0002811500000000, 0.0008199400000000, -0.0006751600000000 ] - [ 0.0017480600000000, 0.0000000000000000, 0.0042787600000000 ] - [ -0.0002967200000000, 0.0006924900000000, 0.0006256100000000 ] - [ -0.0002967200000000, -0.0006924900000000, 0.0006256100000000 ] - [ -0.0105065000000000, -0.0001462400000000, -0.0025378500000000 ] - [ -0.0096777400000000, 0.0000000000000000, -0.0029712200000000 ] - [ -0.0105065000000000, 0.0001462400000000, -0.0025378500000000 ] - [ -0.0111717800000000, -0.0000166500000000, 0.0051248000000000 ] - [ -0.0111761400000000, 0.0000000000000000, 0.0051801400000000 ] - [ -0.0111717800000000, 0.0000166500000000, 0.0051248000000000 ] - [ -0.0034609600000000, -0.0000138700000000, 0.0085815000000000 ] - [ -0.0034521700000000, 0.0000000000000000, 0.0086038600000000 ] - [ -0.0034609600000000, 0.0000138700000000, 0.0085815000000000 ] - [ -0.0059652200000000, -0.0000169100000000, 0.0049794800000000 ] - [ -0.0059567700000000, 0.0000000000000000, 0.0049299700000000 ] - [ -0.0059652200000000, 0.0000169100000000, 0.0049794800000000 ] - [ -0.0070716900000000, -0.0001646100000000, 0.0054297500000000 ] - [ -0.0065430600000000, 0.0000000000000000, 0.0054862600000000 ] - [ -0.0070716900000000, 0.0001646100000000, 0.0054297500000000 ] - [ -0.0068403800000000, -0.0001540300000000, 0.0051296300000000 ] - [ -0.0073963700000000, 0.0000000000000000, 0.0047925500000000 ] - [ -0.0068403800000000, 0.0001540300000000, 0.0051296300000000 ] - [ -0.0067597600000000, -0.0000125500000000, 0.0036452100000000 ] - [ -0.0067677600000000, 0.0000000000000000, 0.0036119300000000 ] - [ -0.0067597600000000, 0.0000125500000000, 0.0036452100000000 ] - [ 0.0082738000000000, -0.0007381300000000, 0.0052044800000000 ] - [ -0.0065525100000000, 0.0000000000000000, 0.0045512600000000 ] - [ 0.0082738000000000, 0.0007381300000000, 0.0052044800000000 ] - [ -0.0080326500000000, -0.0001494300000000, 0.0022889300000000 ] - [ -0.0086119400000000, 0.0000000000000000, 0.0024700500000000 ] - [ -0.0080326500000000, 0.0001494300000000, 0.0022889300000000 ] - [ -0.0244997800000000, -0.0017261400000000, 0.0050702000000000 ] - [ -0.0073954900000000, 0.0000000000000000, 0.0051626200000000 ] - [ -0.0244997800000000, 0.0017261400000000, 0.0050702000000000 ]- atom: 94 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005349900000000, 0.0002186000000000, -0.0000653300000000 ] - [ -0.0005309300000000, -0.0001090900000000, -0.0000630200000000 ] - [ -0.0005388500000000, -0.0001099100000000, -0.0000672000000000 ] - [ -0.0001313800000000, 0.0006328800000000, 0.0000621400000000 ] - [ -0.0000066000000000, -0.0003135400000000, -0.0002019200000000 ] - [ -0.0002567100000000, -0.0003171300000000, 0.0003198000000000 ] - [ -0.0001569800000000, 0.0006522700000000, 0.0003155800000000 ] - [ -0.0002611700000000, -0.0003202100000000, 0.0000346300000000 ] - [ -0.0000519200000000, -0.0003239000000000, 0.0005898500000000 ] - [ 0.0044869000000000, -0.0009057400000000, -0.0036997800000000 ] - [ 0.0045056200000000, 0.0004537400000000, -0.0038548600000000 ] - [ 0.0044691700000000, 0.0004571700000000, -0.0035464700000000 ] - [ 0.0096365200000000, -0.0009861500000000, -0.0034463000000000 ] - [ 0.0096492200000000, 0.0004907400000000, -0.0033785900000000 ] - [ 0.0096240100000000, 0.0004961600000000, -0.0035128600000000 ] - [ 0.0013792600000000, -0.0012577700000000, -0.0072164000000000 ] - [ 0.0013931400000000, 0.0006720600000000, -0.0071018400000000 ] - [ 0.0013655000000000, 0.0006767800000000, -0.0073296400000000 ] - [ -0.0006488100000000, -0.0003042500000000, -0.0029877700000000 ] - [ -0.0006464800000000, 0.0006083700000000, -0.0013069900000000 ] - [ -0.0006435000000000, -0.0002983300000000, 0.0003898300000000 ] - [ 0.0018711100000000, -0.0001294100000000, -0.0000197400000000 ] - [ 0.0019690900000000, 0.0002506300000000, 0.0002550300000000 ] - [ 0.0020685800000000, -0.0001282200000000, 0.0005309400000000 ] - [ -0.0003044300000000, -0.0000842700000000, -0.0018909100000000 ] - [ -0.0003185700000000, 0.0003015400000000, -0.0019825300000000 ] - [ -0.0003330900000000, -0.0000843300000000, -0.0020766600000000 ] - [ 0.0020449800000000, -0.0001620100000000, -0.0002284900000000 ] - [ 0.0019475000000000, 0.0003188100000000, 0.0000530600000000 ] - [ 0.0018501100000000, -0.0001605000000000, 0.0003364900000000 ] - [ -0.0001165500000000, -0.0001063800000000, -0.0012710300000000 ] - [ -0.0000498600000000, 0.0002121500000000, -0.0013317300000000 ] - [ 0.0000171600000000, -0.0001051600000000, -0.0013950600000000 ] - [ 0.0005806900000000, -0.0008103500000000, -0.0021451300000000 ] - [ 0.0022743300000000, 0.0015391500000000, -0.0000961700000000 ] - [ 0.0039625600000000, -0.0007878000000000, 0.0019673800000000 ] - [ 0.0000060100000000, -0.0004256100000000, -0.0045917400000000 ] - [ 0.0003426600000000, 0.0013372000000000, -0.0012480600000000 ] - [ 0.0006782600000000, -0.0004238000000000, 0.0021015600000000 ] - [ -0.0001149500000000, -0.0012793700000000, 0.0024923400000000 ] - [ -0.0005041700000000, 0.0024063600000000, -0.0019291900000000 ] - [ -0.0008915600000000, -0.0012400000000000, -0.0063606200000000 ] - [ -0.0214948000000000, 0.0099328600000000, 0.0017361800000000 ] - [ 0.0024626400000000, 0.0055565400000000, 0.0005438300000000 ] - [ 0.0263088700000000, 0.0100007600000000, -0.0006393200000000 ] - [ -0.0015631400000000, 0.0112265200000000, -0.0318535600000000 ] - [ -0.0004793900000000, 0.0045622800000000, -0.0011900700000000 ] - [ 0.0005908300000000, 0.0112906500000000, 0.0291719100000000 ] - [ 0.0040956400000000, -0.0008258500000000, -0.0015102500000000 ] - [ 0.0026109100000000, 0.0016325000000000, 0.0004372700000000 ] - [ 0.0011391000000000, -0.0008070500000000, 0.0023979100000000 ] - [ 0.0006245400000000, -0.0012488800000000, -0.0060124300000000 ] - [ 0.0001333000000000, 0.0024303600000000, -0.0015173100000000 ] - [ -0.0003491000000000, -0.0012149500000000, 0.0029860500000000 ] - [ 0.0011799900000000, -0.0008058600000000, 0.0012736200000000 ] - [ 0.0029323000000000, 0.0016171400000000, -0.0003467000000000 ] - [ 0.0046894200000000, -0.0007787100000000, -0.0019897200000000 ] - [ 0.0006337900000000, 0.0103041400000000, 0.0256245200000000 ] - [ -0.0002813300000000, 0.0044888300000000, -0.0013788400000000 ] - [ -0.0011928300000000, 0.0103692100000000, -0.0282558400000000 ] - [ 0.0013141700000000, -0.0000848400000000, 0.0000755400000000 ] - [ 0.0014150700000000, 0.0001540700000000, -0.0001822300000000 ] - [ 0.0015153200000000, -0.0000840000000000, -0.0004426200000000 ] - [ -0.0001385600000000, -0.0001914000000000, 0.0032453400000000 ] - [ 0.0004174200000000, 0.0010770700000000, -0.0004486700000000 ] - [ 0.0009727200000000, -0.0001890200000000, -0.0041613400000000 ] - [ 0.0038860800000000, -0.0006728500000000, 0.0015279900000000 ] - [ 0.0023522400000000, 0.0012527000000000, -0.0001617200000000 ] - [ 0.0008190100000000, -0.0006566600000000, -0.0018655000000000 ] - [ -0.0000997100000000, -0.0002265100000000, -0.0004837400000000 ] - [ -0.0001248900000000, 0.0004442300000000, -0.0020620000000000 ] - [ -0.0001493500000000, -0.0002209000000000, -0.0036618000000000 ] - [ 0.0296019300000000, 0.0106085200000000, -0.0001914400000000 ] - [ 0.0024621000000000, 0.0053234600000000, 0.0001884700000000 ] - [ -0.0243595100000000, 0.0106792500000000, 0.0005650600000000 ] - [ 0.0025254100000000, -0.0000997900000000, 0.0005369200000000 ] - [ 0.0024145700000000, 0.0002007100000000, 0.0002609000000000 ] - [ 0.0023042000000000, -0.0000988200000000, -0.0000182600000000 ] - [ 0.0055274600000000, -0.0035556000000000, -0.0034439500000000 ] - [ 0.0056497300000000, 0.0017493600000000, -0.0043157800000000 ] - [ 0.0054069100000000, 0.0017687400000000, -0.0026229500000000 ] - [ 0.0046650800000000, -0.0152825900000000, -0.0033994300000000 ] - [ 0.0052637500000000, 0.0087870300000000, -0.0033550800000000 ] - [ 0.0040580900000000, 0.0088108200000000, -0.0034514200000000 ] - [ 0.0049471400000000, -0.0011182200000000, -0.0025815300000000 ] - [ 0.0049718300000000, 0.0006090800000000, -0.0027433800000000 ] - [ 0.0049227400000000, 0.0006114300000000, -0.0024213700000000 ] - [ 0.0069225200000000, -0.0038914000000000, -0.0006970200000000 ] - [ 0.0070550900000000, 0.0019110200000000, 0.0000402900000000 ] - [ 0.0067926800000000, 0.0019383900000000, -0.0013812200000000 ] - [ 0.0047173000000000, -0.0088213800000000, -0.0043334600000000 ] - [ 0.0047793200000000, 0.0050770000000000, -0.0071837400000000 ] - [ 0.0046587400000000, 0.0050770800000000, -0.0015074700000000 ] - [ 0.0049096100000000, -0.1900702700000000, -0.0037762900000000 ] - [ 0.0032120300000000, 0.0406176900000000, -0.0025109600000000 ] - [ 0.0071638500000000, 0.0401994300000000, -0.0054643800000000 ] - [ 0.0068744900000000, -0.0090308000000000, 0.0043591800000000 ] - [ 0.0067310200000000, 0.0052972200000000, 0.0066874100000000 ] - [ 0.0070217200000000, 0.0053243600000000, 0.0020540200000000 ] - [ 0.0004310800000000, 0.0004857500000000, 0.0001099400000000 ] - [ 0.0004187800000000, -0.0002434600000000, 0.0001138000000000 ] - [ 0.0004425800000000, -0.0002451400000000, 0.0001060500000000 ] - [ -0.0003000500000000, 0.0013379500000000, 0.0000852800000000 ] - [ -0.0000862800000000, -0.0006621900000000, 0.0007171800000000 ] - [ -0.0005134800000000, -0.0006682400000000, -0.0005363000000000 ] - [ -0.0004819600000000, 0.0111518600000000, -0.0002805600000000 ] - [ 0.0020552400000000, -0.0039904400000000, 0.0024212300000000 ] - [ -0.0028204400000000, -0.0040069100000000, -0.0027458100000000 ] - [ -0.0000384100000000, 0.0013735000000000, 0.0000452600000000 ] - [ -0.0002315800000000, -0.0006802900000000, 0.0007157200000000 ] - [ 0.0001554400000000, -0.0006844200000000, -0.0006134300000000 ] - [ -0.0004909800000000, 0.0112086100000000, -0.0000552100000000 ] - [ -0.0028471200000000, -0.0044683400000000, 0.0032237200000000 ] - [ 0.0016603700000000, -0.0044770700000000, -0.0031214900000000 ] - [ -0.0000092900000000, 0.0102252200000000, 0.0001295000000000 ] - [ 0.0020109700000000, -0.0034667200000000, -0.0028201500000000 ] - [ -0.0018127200000000, -0.0034932600000000, 0.0028511400000000 ] - [ -0.0004983700000000, 0.0110670500000000, -0.0000812400000000 ] - [ -0.0027540700000000, -0.0040974500000000, -0.0031425800000000 ] - [ 0.0015231100000000, -0.0041153400000000, 0.0027847000000000 ] - [ -0.0075505300000000, 0.0035285800000000, -0.0200188600000000 ] - [ -0.0094327500000000, -0.0082482400000000, -0.0033372500000000 ] - [ -0.0113138400000000, 0.0034802800000000, 0.0134129300000000 ] - [ -0.0110489800000000, 0.0004278400000000, 0.0041392800000000 ] - [ -0.0111817500000000, -0.0008520800000000, 0.0051895200000000 ] - [ -0.0113165900000000, 0.0004234200000000, 0.0062563400000000 ] - [ -0.0036692400000000, 0.0004769500000000, 0.0066696500000000 ] - [ -0.0034626400000000, -0.0011322600000000, 0.0084943000000000 ] - [ -0.0032540400000000, 0.0004730300000000, 0.0103325000000000 ] - [ -0.0058846800000000, 0.0003934500000000, 0.0057485600000000 ] - [ -0.0059681700000000, -0.0007881300000000, 0.0049217300000000 ] - [ -0.0060563200000000, 0.0003903400000000, 0.0040862600000000 ] - [ -0.0065141400000000, 0.0033804100000000, 0.0225637200000000 ] - [ -0.0063944300000000, -0.0074455100000000, 0.0057920100000000 ] - [ -0.0062773300000000, 0.0033537500000000, -0.0109474600000000 ] - [ -0.0072121900000000, 0.0016960900000000, 0.0086632200000000 ] - [ -0.0075229000000000, -0.0033334800000000, 0.0047838300000000 ] - [ -0.0078387100000000, 0.0016473900000000, 0.0008701700000000 ] - [ -0.0068354100000000, 0.0004018300000000, 0.0050125600000000 ] - [ -0.0067569700000000, -0.0009676000000000, 0.0036497300000000 ] - [ -0.0066774400000000, 0.0003979500000000, 0.0022828600000000 ] - [ -0.0078205400000000, 0.0057593500000000, 0.0045975300000000 ] - [ -0.0069621800000000, -0.0126970300000000, 0.0044741700000000 ] - [ -0.0062076500000000, 0.0056988600000000, 0.0043431400000000 ] - [ -0.0089200300000000, 0.0018085100000000, -0.0012012800000000 ] - [ -0.0087632000000000, -0.0035337400000000, 0.0024923500000000 ] - [ -0.0086131700000000, 0.0017510300000000, 0.0062217900000000 ] - [ -0.0039580400000000, 0.0136922200000000, 0.0033257100000000 ] - [ -0.0070042000000000, -0.0319504500000000, 0.0051491200000000 ] - [ -0.0098957000000000, 0.0087110800000000, 0.0068729300000000 ]- atom: 94 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005262500000000, 0.0000000000000000, -0.0004913200000000 ] - [ -0.0005263800000000, -0.0000062100000000, -0.0004532000000000 ] - [ -0.0005263800000000, 0.0000062100000000, -0.0004532000000000 ] - [ 0.0000290200000000, 0.0000000000000000, -0.0004820200000000 ] - [ 0.0000276400000000, -0.0001466500000000, -0.0002539700000000 ] - [ 0.0000276400000000, 0.0001466500000000, -0.0002539700000000 ] - [ -0.0002901600000000, 0.0000000000000000, -0.0002752600000000 ] - [ -0.0002835300000000, -0.0001468100000000, -0.0000482100000000 ] - [ -0.0002835300000000, 0.0001468100000000, -0.0000482100000000 ] - [ 0.0045300200000000, 0.0000000000000000, -0.0030782700000000 ] - [ 0.0045336900000000, -0.0001143200000000, -0.0031691700000000 ] - [ 0.0045336900000000, 0.0001143200000000, -0.0031691700000000 ] - [ 0.0095728300000000, 0.0000000000000000, -0.0029081000000000 ] - [ 0.0095730400000000, 0.0001829700000000, -0.0029683400000000 ] - [ 0.0095730400000000, -0.0001829700000000, -0.0029683400000000 ] - [ 0.0014766200000000, 0.0000000000000000, -0.0065163600000000 ] - [ 0.0014741900000000, 0.0002167900000000, -0.0065772700000000 ] - [ 0.0014741900000000, -0.0002167900000000, -0.0065772700000000 ] - [ -0.0006578800000000, -0.0001875900000000, 0.0000875300000000 ] - [ -0.0006586100000000, 0.0000000000000000, -0.0005479700000000 ] - [ -0.0006578800000000, 0.0001875900000000, 0.0000875300000000 ] - [ 0.0021021500000000, -0.0000393000000000, 0.0008219400000000 ] - [ 0.0020772400000000, 0.0000000000000000, 0.0006819300000000 ] - [ 0.0021021500000000, 0.0000393000000000, 0.0008219400000000 ] - [ -0.0002778400000000, 0.0000169900000000, 0.0003210400000000 ] - [ -0.0002825200000000, 0.0000000000000000, -0.0000767900000000 ] - [ -0.0002778400000000, -0.0000169900000000, 0.0003210400000000 ] - [ 0.0019044900000000, -0.0000524200000000, 0.0007458900000000 ] - [ 0.0019154000000000, 0.0000000000000000, 0.0005910900000000 ] - [ 0.0019044900000000, 0.0000524200000000, 0.0007458900000000 ] - [ -0.0000375800000000, 0.0000046500000000, 0.0005544900000000 ] - [ -0.0000350600000000, 0.0000000000000000, 0.0002373400000000 ] - [ -0.0000375800000000, -0.0000046500000000, 0.0005544900000000 ] - [ 0.0033101000000000, -0.0006679000000000, 0.0005939900000000 ] - [ 0.0026221700000000, 0.0000000000000000, -0.0001651300000000 ] - [ 0.0033101000000000, 0.0006679000000000, 0.0005939900000000 ] - [ 0.0004392600000000, -0.0002900200000000, 0.0012540500000000 ] - [ 0.0003552600000000, 0.0000000000000000, 0.0001972400000000 ] - [ 0.0004392600000000, 0.0002900200000000, 0.0012540500000000 ] - [ -0.0002802400000000, 0.0011261800000000, -0.0045091500000000 ] - [ -0.0003784900000000, 0.0000000000000000, -0.0036881600000000 ] - [ -0.0002802400000000, -0.0011261800000000, -0.0045091500000000 ] - [ 0.0023728300000000, 0.0005535300000000, -0.0043620100000000 ] - [ 0.0027461000000000, 0.0000000000000000, -0.0004411900000000 ] - [ 0.0023728300000000, -0.0005535300000000, -0.0043620100000000 ] - [ -0.0004680000000000, -0.0144237700000000, 0.0070583200000000 ] - [ -0.0005735000000000, 0.0000000000000000, -0.0028578400000000 ] - [ -0.0004680000000000, 0.0144237700000000, 0.0070583200000000 ] - [ 0.0017315400000000, -0.0005624100000000, 0.0010724100000000 ] - [ 0.0022276100000000, 0.0000000000000000, 0.0003569800000000 ] - [ 0.0017315400000000, 0.0005624100000000, 0.0010724100000000 ] - [ 0.0001171800000000, -0.0008110600000000, -0.0039973900000000 ] - [ 0.0001160900000000, 0.0000000000000000, -0.0030525700000000 ] - [ 0.0001171800000000, 0.0008110600000000, -0.0039973900000000 ] - [ 0.0015346300000000, 0.0008629900000000, 0.0003863900000000 ] - [ 0.0025145500000000, 0.0000000000000000, -0.0005864700000000 ] - [ 0.0015346300000000, -0.0008629900000000, 0.0003863900000000 ] - [ 0.0006195800000000, 0.0141819800000000, 0.0082973000000000 ] - [ -0.0002950800000000, 0.0000000000000000, -0.0037321100000000 ] - [ 0.0006195800000000, -0.0141819800000000, 0.0082973000000000 ] - [ 0.0013362500000000, 0.0000210700000000, 0.0003991600000000 ] - [ 0.0013532900000000, 0.0000000000000000, 0.0002333600000000 ] - [ 0.0013362500000000, -0.0000210700000000, 0.0003991600000000 ] - [ 0.0002348400000000, 0.0004415100000000, 0.0028929800000000 ] - [ 0.0004436000000000, 0.0000000000000000, 0.0013141200000000 ] - [ 0.0002348400000000, -0.0004415100000000, 0.0028929800000000 ] - [ 0.0034667600000000, 0.0004822700000000, 0.0004773500000000 ] - [ 0.0027587700000000, 0.0000000000000000, -0.0002706900000000 ] - [ 0.0034667600000000, -0.0004822700000000, 0.0004773500000000 ] - [ -0.0001730500000000, 0.0001831700000000, -0.0002466100000000 ] - [ -0.0001563600000000, 0.0000000000000000, -0.0010488600000000 ] - [ -0.0001730500000000, -0.0001831700000000, -0.0002466100000000 ] - [ 0.0011073100000000, -0.0004862100000000, -0.0045956300000000 ] - [ 0.0021045800000000, 0.0000000000000000, -0.0007273600000000 ] - [ 0.0011073100000000, 0.0004862100000000, -0.0045956300000000 ] - [ 0.0025216200000000, 0.0000377600000000, 0.0008852800000000 ] - [ 0.0024967300000000, 0.0000000000000000, 0.0007063300000000 ] - [ 0.0025216200000000, -0.0000377600000000, 0.0008852800000000 ] - [ 0.0055334000000000, 0.0000000000000000, -0.0020059800000000 ] - [ 0.0055345300000000, -0.0006395500000000, -0.0035264500000000 ] - [ 0.0055345300000000, 0.0006395500000000, -0.0035264500000000 ] - [ 0.0045717800000000, 0.0000000000000000, -0.0063414500000000 ] - [ 0.0045516800000000, 0.0000584900000000, -0.0044316400000000 ] - [ 0.0045516800000000, -0.0000584900000000, -0.0044316400000000 ] - [ 0.0048780200000000, 0.0000000000000000, -0.0018234900000000 ] - [ 0.0048884400000000, -0.0001303600000000, -0.0019065300000000 ] - [ 0.0048884400000000, 0.0001303600000000, -0.0019065300000000 ] - [ 0.0069097100000000, 0.0000000000000000, 0.0009451400000000 ] - [ 0.0069272800000000, 0.0009328200000000, -0.0007745600000000 ] - [ 0.0069272800000000, -0.0009328200000000, -0.0007745600000000 ] - [ 0.0046274900000000, 0.0000000000000000, -0.0025030600000000 ] - [ 0.0047541800000000, -0.0022120700000000, -0.0031927200000000 ] - [ 0.0047541800000000, 0.0022120700000000, -0.0031927200000000 ] - [ 0.0059303300000000, 0.0000000000000000, -0.0600757800000000 ] - [ 0.0053939500000000, -0.0015371400000000, -0.0041912500000000 ] - [ 0.0053939500000000, 0.0015371400000000, -0.0041912500000000 ] - [ 0.0068017800000000, 0.0000000000000000, 0.0061667400000000 ] - [ 0.0066257700000000, 0.0031221500000000, 0.0056367700000000 ] - [ 0.0066257700000000, -0.0031221500000000, 0.0056367700000000 ] - [ 0.0004094700000000, 0.0000000000000000, -0.0007402200000000 ] - [ 0.0004100700000000, -0.0000091000000000, -0.0006593100000000 ] - [ 0.0004100700000000, 0.0000091000000000, -0.0006593100000000 ] - [ -0.0005062900000000, 0.0000000000000000, -0.0009562300000000 ] - [ -0.0005202200000000, 0.0002330800000000, -0.0005591700000000 ] - [ -0.0005202200000000, -0.0002330800000000, -0.0005591700000000 ] - [ -0.0049744300000000, 0.0000000000000000, 0.0003933400000000 ] - [ -0.0014377700000000, 0.0009691000000000, 0.0008020100000000 ] - [ -0.0014377700000000, -0.0009691000000000, 0.0008020100000000 ] - [ 0.0001403500000000, 0.0000000000000000, -0.0010491300000000 ] - [ 0.0001602300000000, 0.0002368000000000, -0.0006404000000000 ] - [ 0.0001602300000000, -0.0002368000000000, -0.0006404000000000 ] - [ 0.0050471000000000, 0.0000000000000000, -0.0011525100000000 ] - [ 0.0003538200000000, 0.0008602800000000, 0.0009822000000000 ] - [ 0.0003538200000000, -0.0008602800000000, 0.0009822000000000 ] - [ 0.0026908300000000, 0.0000000000000000, 0.0024358200000000 ] - [ 0.0008067000000000, -0.0009650100000000, 0.0015326500000000 ] - [ 0.0008067000000000, 0.0009650100000000, 0.0015326500000000 ] - [ -0.0057733200000000, 0.0000000000000000, 0.0006788500000000 ] - [ -0.0014259500000000, -0.0009849000000000, 0.0013482200000000 ] - [ -0.0014259500000000, 0.0009849000000000, 0.0013482200000000 ] - [ -0.0085888400000000, -0.0026080500000000, -0.0121831000000000 ] - [ -0.0094013500000000, 0.0000000000000000, -0.0030110000000000 ] - [ -0.0085888400000000, 0.0026080500000000, -0.0121831000000000 ] - [ -0.0109327300000000, -0.0001571100000000, 0.0024741300000000 ] - [ -0.0110093100000000, 0.0000000000000000, 0.0032381400000000 ] - [ -0.0109327300000000, 0.0001571100000000, 0.0024741300000000 ] - [ -0.0039095000000000, -0.0001839000000000, 0.0048518500000000 ] - [ -0.0038061000000000, 0.0000000000000000, 0.0058310900000000 ] - [ -0.0039095000000000, 0.0001839000000000, 0.0048518500000000 ] - [ -0.0061989800000000, 0.0001060600000000, 0.0028548100000000 ] - [ -0.0061550300000000, 0.0000000000000000, 0.0033738100000000 ] - [ -0.0061989800000000, -0.0001060600000000, 0.0028548100000000 ] - [ -0.0062464200000000, 0.0015714400000000, -0.0008474800000000 ] - [ -0.0063649500000000, 0.0000000000000000, 0.0058074700000000 ] - [ -0.0062464200000000, -0.0015714400000000, -0.0008474800000000 ] - [ -0.0077792900000000, 0.0014687000000000, 0.0046847700000000 ] - [ -0.0075418000000000, 0.0000000000000000, 0.0050474100000000 ] - [ -0.0077792900000000, -0.0014687000000000, 0.0046847700000000 ] - [ -0.0065898600000000, 0.0001177100000000, 0.0008808600000000 ] - [ -0.0066174700000000, 0.0000000000000000, 0.0014941200000000 ] - [ -0.0065898600000000, -0.0001177100000000, 0.0008808600000000 ] - [ -0.0064598600000000, -0.0002945100000000, 0.0093558600000000 ] - [ -0.0069842300000000, 0.0000000000000000, 0.0071283700000000 ] - [ -0.0064598600000000, 0.0002945100000000, 0.0093558600000000 ] - [ -0.0084727600000000, -0.0018612200000000, 0.0023079700000000 ] - [ -0.0087479100000000, 0.0000000000000000, 0.0029025600000000 ] - [ -0.0084727600000000, 0.0018612200000000, 0.0023079700000000 ] - [ -0.0070129900000000, -0.0016933300000000, 0.0266413200000000 ] - [ -0.0068700200000000, 0.0000000000000000, 0.0086280400000000 ] - [ -0.0070129900000000, 0.0016933300000000, 0.0266413200000000 ]- atom: 94 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005442000000000, 0.0000000000000000, 0.0003609900000000 ] - [ -0.0005441100000000, 0.0000058600000000, 0.0003212700000000 ] - [ -0.0005441100000000, -0.0000058600000000, 0.0003212700000000 ] - [ -0.0002932000000000, 0.0000000000000000, 0.0005966200000000 ] - [ -0.0002912900000000, 0.0001453000000000, 0.0003712400000000 ] - [ -0.0002912900000000, -0.0001453000000000, 0.0003712400000000 ] - [ -0.0000225500000000, 0.0000000000000000, 0.0008957000000000 ] - [ -0.0000290800000000, 0.0001455800000000, 0.0006707500000000 ] - [ -0.0000290800000000, -0.0001455800000000, 0.0006707500000000 ] - [ 0.0044439800000000, 0.0000000000000000, -0.0043206700000000 ] - [ 0.0044411000000000, 0.0001176800000000, -0.0042293100000000 ] - [ 0.0044411000000000, -0.0001176800000000, -0.0042293100000000 ] - [ 0.0096995600000000, 0.0000000000000000, -0.0039801400000000 ] - [ 0.0096993100000000, -0.0001807500000000, -0.0039204100000000 ] - [ 0.0096993100000000, 0.0001807500000000, -0.0039204100000000 ] - [ 0.0012817600000000, 0.0000000000000000, -0.0079116000000000 ] - [ 0.0012841300000000, -0.0002139800000000, -0.0078514200000000 ] - [ 0.0012841300000000, 0.0002139800000000, -0.0078514200000000 ] - [ -0.0006359600000000, 0.0001897400000000, -0.0026882600000000 ] - [ -0.0006351200000000, 0.0000000000000000, -0.0020474200000000 ] - [ -0.0006359600000000, -0.0001897400000000, -0.0026882600000000 ] - [ 0.0018378600000000, 0.0000396200000000, -0.0003085000000000 ] - [ 0.0018581900000000, 0.0000000000000000, -0.0001677100000000 ] - [ 0.0018378600000000, -0.0000396200000000, -0.0003085000000000 ] - [ -0.0003602600000000, -0.0000158700000000, -0.0042743500000000 ] - [ -0.0003553600000000, 0.0000000000000000, -0.0038778300000000 ] - [ -0.0003602600000000, 0.0000158700000000, -0.0042743500000000 ] - [ 0.0019894800000000, 0.0000527700000000, -0.0006350600000000 ] - [ 0.0019807200000000, 0.0000000000000000, -0.0004795900000000 ] - [ 0.0019894800000000, -0.0000527700000000, -0.0006350600000000 ] - [ -0.0000624500000000, -0.0000044700000000, -0.0032081000000000 ] - [ -0.0000640900000000, 0.0000000000000000, -0.0028892300000000 ] - [ -0.0000624500000000, 0.0000044700000000, -0.0032081000000000 ] - [ 0.0012443000000000, 0.0006749800000000, -0.0007774100000000 ] - [ 0.0019357800000000, 0.0000000000000000, -0.0000120400000000 ] - [ 0.0012443000000000, -0.0006749800000000, -0.0007774100000000 ] - [ 0.0002473900000000, 0.0002949800000000, -0.0037246900000000 ] - [ 0.0003321100000000, 0.0000000000000000, -0.0026608500000000 ] - [ 0.0002473900000000, -0.0002949800000000, -0.0037246900000000 ] - [ -0.0007304000000000, -0.0011114200000000, 0.0005907500000000 ] - [ -0.0006327200000000, 0.0000000000000000, -0.0002222700000000 ] - [ -0.0007304000000000, 0.0011114200000000, 0.0005907500000000 ] - [ 0.0026902800000000, -0.0006153300000000, 0.0054316500000000 ] - [ 0.0022319800000000, 0.0000000000000000, 0.0015189400000000 ] - [ 0.0026902800000000, 0.0006153300000000, 0.0054316500000000 ] - [ -0.0004868500000000, 0.0146337300000000, -0.0094394500000000 ] - [ -0.0003815100000000, 0.0000000000000000, 0.0005803500000000 ] - [ -0.0004868500000000, -0.0146337300000000, -0.0094394500000000 ] - [ 0.0034840500000000, 0.0005682900000000, -0.0001872800000000 ] - [ 0.0029841700000000, 0.0000000000000000, 0.0005338600000000 ] - [ 0.0034840500000000, -0.0005682900000000, -0.0001872800000000 ] - [ 0.0001446800000000, 0.0008223800000000, 0.0010038400000000 ] - [ 0.0001464600000000, 0.0000000000000000, 0.0000513300000000 ] - [ 0.0001446800000000, -0.0008223800000000, 0.0010038400000000 ] - [ 0.0043298200000000, -0.0008533100000000, -0.0010857100000000 ] - [ 0.0033546000000000, 0.0000000000000000, -0.0001217500000000 ] - [ 0.0043298200000000, 0.0008533100000000, -0.0010857100000000 ] - [ -0.0011710400000000, -0.0139913400000000, -0.0110640700000000 ] - [ -0.0002696300000000, 0.0000000000000000, 0.0008607700000000 ] - [ -0.0011710400000000, 0.0139913400000000, -0.0110640700000000 ] - [ 0.0014933700000000, -0.0000208900000000, -0.0007629200000000 ] - [ 0.0014763100000000, 0.0000000000000000, -0.0005982300000000 ] - [ 0.0014933700000000, 0.0000208900000000, -0.0007629200000000 ] - [ 0.0006012400000000, -0.0004340500000000, -0.0037932900000000 ] - [ 0.0003944700000000, 0.0000000000000000, -0.0022265800000000 ] - [ 0.0006012400000000, 0.0004340500000000, -0.0037932900000000 ] - [ 0.0012360700000000, -0.0004774400000000, -0.0008096600000000 ] - [ 0.0019410700000000, 0.0000000000000000, -0.0000663200000000 ] - [ 0.0012360700000000, 0.0004774400000000, -0.0008096600000000 ] - [ -0.0000781800000000, -0.0001811500000000, -0.0038784600000000 ] - [ -0.0000947700000000, 0.0000000000000000, -0.0030828500000000 ] - [ -0.0000781800000000, 0.0001811500000000, -0.0038784600000000 ] - [ 0.0036552400000000, 0.0004245700000000, 0.0049737200000000 ] - [ 0.0027424200000000, 0.0000000000000000, 0.0010991000000000 ] - [ 0.0036552400000000, -0.0004245700000000, 0.0049737200000000 ] - [ 0.0023060600000000, -0.0000372200000000, -0.0003615700000000 ] - [ 0.0023309400000000, 0.0000000000000000, -0.0001838600000000 ] - [ 0.0023060600000000, 0.0000372200000000, -0.0003615700000000 ] - [ 0.0055188700000000, 0.0000000000000000, -0.0049469200000000 ] - [ 0.0055188000000000, 0.0006457600000000, -0.0034028100000000 ] - [ 0.0055188000000000, -0.0006457600000000, -0.0034028100000000 ] - [ 0.0047261900000000, 0.0000000000000000, -0.0004778300000000 ] - [ 0.0047476400000000, -0.0000714200000000, -0.0023834900000000 ] - [ 0.0047476400000000, 0.0000714200000000, -0.0023834900000000 ] - [ 0.0050155900000000, 0.0000000000000000, -0.0033363300000000 ] - [ 0.0050054700000000, 0.0001322500000000, -0.0032533600000000 ] - [ 0.0050054700000000, -0.0001322500000000, -0.0032533600000000 ] - [ 0.0069339400000000, 0.0000000000000000, -0.0022716800000000 ] - [ 0.0069178200000000, -0.0009236700000000, -0.0005755000000000 ] - [ 0.0069178200000000, 0.0009236700000000, -0.0005755000000000 ] - [ 0.0048133400000000, 0.0000000000000000, -0.0061733300000000 ] - [ 0.0046846000000000, 0.0022365200000000, -0.0054810600000000 ] - [ 0.0046846000000000, -0.0022365200000000, -0.0054810600000000 ] - [ 0.0046775600000000, 0.0000000000000000, 0.0519968000000000 ] - [ 0.0050194100000000, 0.0014194900000000, -0.0038199200000000 ] - [ 0.0050194100000000, -0.0014194900000000, -0.0038199200000000 ] - [ 0.0069532700000000, 0.0000000000000000, 0.0025722600000000 ] - [ 0.0071261100000000, -0.0030907800000000, 0.0031018500000000 ] - [ 0.0071261100000000, 0.0030907800000000, 0.0031018500000000 ] - [ 0.0004531900000000, 0.0000000000000000, 0.0009557500000000 ] - [ 0.0004517200000000, 0.0000084300000000, 0.0008756600000000 ] - [ 0.0004517200000000, -0.0000084300000000, 0.0008756600000000 ] - [ -0.0001003500000000, 0.0000000000000000, 0.0011367800000000 ] - [ -0.0000828700000000, -0.0002341600000000, 0.0007357000000000 ] - [ -0.0000828700000000, 0.0002341600000000, 0.0007357000000000 ] - [ 0.0040429300000000, 0.0000000000000000, -0.0008986300000000 ] - [ 0.0006447400000000, -0.0009744800000000, -0.0011611200000000 ] - [ 0.0006447400000000, 0.0009744800000000, -0.0011611200000000 ] - [ -0.0002118300000000, 0.0000000000000000, 0.0011478000000000 ] - [ -0.0002341300000000, -0.0002393600000000, 0.0007356400000000 ] - [ -0.0002341300000000, 0.0002393600000000, 0.0007356400000000 ] - [ -0.0061469600000000, 0.0000000000000000, 0.0011348600000000 ] - [ -0.0015159400000000, -0.0008621900000000, -0.0009260200000000 ] - [ -0.0015159400000000, 0.0008621900000000, -0.0009260200000000 ] - [ -0.0026967100000000, 0.0000000000000000, -0.0021890200000000 ] - [ -0.0006279400000000, 0.0009608600000000, -0.0014496500000000 ] - [ -0.0006279400000000, -0.0009608600000000, -0.0014496500000000 ] - [ 0.0046588300000000, 0.0000000000000000, -0.0008778300000000 ] - [ 0.0002132000000000, 0.0009811800000000, -0.0016481700000000 ] - [ 0.0002132000000000, -0.0009811800000000, -0.0016481700000000 ] - [ -0.0102822600000000, 0.0025708400000000, 0.0055292800000000 ] - [ -0.0094745500000000, 0.0000000000000000, -0.0035731200000000 ] - [ -0.0102822600000000, -0.0025708400000000, 0.0055292800000000 ] - [ -0.0114301400000000, 0.0001549400000000, 0.0078964100000000 ] - [ -0.0113538100000000, 0.0000000000000000, 0.0071367900000000 ] - [ -0.0114301400000000, -0.0001549400000000, 0.0078964100000000 ] - [ -0.0030169300000000, 0.0001818500000000, 0.0121257800000000 ] - [ -0.0031196700000000, 0.0000000000000000, 0.0111553200000000 ] - [ -0.0030169300000000, -0.0001818500000000, 0.0121257800000000 ] - [ -0.0057408200000000, -0.0001090600000000, 0.0069744200000000 ] - [ -0.0057800800000000, 0.0000000000000000, 0.0064535500000000 ] - [ -0.0057408200000000, 0.0001090600000000, 0.0069744200000000 ] - [ -0.0065475300000000, -0.0015983500000000, 0.0124139400000000 ] - [ -0.0064246800000000, 0.0000000000000000, 0.0056915000000000 ] - [ -0.0065475300000000, 0.0015983500000000, 0.0124139400000000 ] - [ -0.0072632500000000, -0.0014844700000000, 0.0048495000000000 ] - [ -0.0075041000000000, 0.0000000000000000, 0.0044847800000000 ] - [ -0.0072632500000000, 0.0014844700000000, 0.0048495000000000 ] - [ -0.0069218500000000, -0.0001164900000000, 0.0063983100000000 ] - [ -0.0068967800000000, 0.0000000000000000, 0.0057805600000000 ] - [ -0.0069218500000000, 0.0001164900000000, 0.0063983100000000 ] - [ -0.0074547000000000, 0.0002766200000000, -0.0003916400000000 ] - [ -0.0069288300000000, 0.0000000000000000, 0.0018315200000000 ] - [ -0.0074547000000000, -0.0002766200000000, -0.0003916400000000 ] - [ -0.0090473600000000, 0.0018407400000000, 0.0027093700000000 ] - [ -0.0087749600000000, 0.0000000000000000, 0.0021242200000000 ] - [ -0.0090473600000000, -0.0018407400000000, 0.0027093700000000 ] - [ -0.0070062800000000, 0.0014799000000000, -0.0163084200000000 ] - [ -0.0071262100000000, 0.0000000000000000, 0.0016774400000000 ] - [ -0.0070062800000000, -0.0014799000000000, -0.0163084200000000 ]- atom: 97 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005376000000000, 0.0000000000000000, -0.0000305300000000 ] - [ -0.0005383800000000, 0.0000141600000000, -0.0000493200000000 ] - [ -0.0005383800000000, -0.0000141600000000, -0.0000493200000000 ] - [ -0.0016351700000000, 0.0000000000000000, 0.0028760200000000 ] - [ -0.0000157200000000, 0.0003229500000000, 0.0003332200000000 ] - [ -0.0000157200000000, -0.0003229500000000, 0.0003332200000000 ] - [ -0.0025314200000000, 0.0000000000000000, -0.0025990500000000 ] - [ -0.0003104500000000, -0.0003910800000000, -0.0001975200000000 ] - [ -0.0003104500000000, 0.0003910800000000, -0.0001975200000000 ] - [ 0.0044852400000000, 0.0000000000000000, -0.0037224800000000 ] - [ 0.0044867700000000, -0.0000130400000000, -0.0037185700000000 ] - [ 0.0044867700000000, 0.0000130400000000, -0.0037185700000000 ] - [ 0.0098311300000000, 0.0000000000000000, -0.0034794300000000 ] - [ 0.0096921500000000, -0.0000964500000000, -0.0034667400000000 ] - [ 0.0096921500000000, 0.0000964500000000, -0.0034667400000000 ] - [ 0.0011238500000000, 0.0000000000000000, -0.0072449800000000 ] - [ 0.0013657100000000, -0.0003403900000000, -0.0073152800000000 ] - [ 0.0013657100000000, 0.0003403900000000, -0.0073152800000000 ] - [ -0.0006458000000000, -0.0000028600000000, -0.0013461600000000 ] - [ -0.0006455000000000, 0.0000000000000000, -0.0013441100000000 ] - [ -0.0006458000000000, 0.0000028600000000, -0.0013461600000000 ] - [ 0.0019646600000000, -0.0000028000000000, 0.0002343300000000 ] - [ 0.0019640700000000, 0.0000000000000000, 0.0002442400000000 ] - [ 0.0019646600000000, 0.0000028000000000, 0.0002343300000000 ] - [ -0.0003686600000000, -0.0000570300000000, -0.0021405800000000 ] - [ -0.0003279000000000, 0.0000000000000000, -0.0019901900000000 ] - [ -0.0003686600000000, 0.0000570300000000, -0.0021405800000000 ] - [ 0.0019442800000000, -0.0000024100000000, 0.0000294500000000 ] - [ 0.0019482900000000, 0.0000000000000000, 0.0000413800000000 ] - [ 0.0019442800000000, 0.0000024100000000, 0.0000294500000000 ] - [ -0.0000115500000000, -0.0000133500000000, -0.0014252100000000 ] - [ -0.0000458200000000, 0.0000000000000000, -0.0013468100000000 ] - [ -0.0000115500000000, 0.0000133500000000, -0.0014252100000000 ] - [ 0.0022471400000000, -0.0000012800000000, -0.0001103300000000 ] - [ 0.0022560800000000, 0.0000000000000000, -0.0001082300000000 ] - [ 0.0022471400000000, 0.0000012800000000, -0.0001103300000000 ] - [ 0.0003380900000000, -0.0000029400000000, -0.0013247200000000 ] - [ 0.0003378700000000, 0.0000000000000000, -0.0013132700000000 ] - [ 0.0003380900000000, 0.0000029400000000, -0.0013247200000000 ] - [ 0.0012672800000000, 0.0001303000000000, -0.0014976600000000 ] - [ -0.0003685000000000, 0.0000000000000000, -0.0018483500000000 ] - [ 0.0012672800000000, -0.0001303000000000, -0.0014976600000000 ] - [ 0.0023716900000000, -0.0004365400000000, 0.0009887700000000 ] - [ 0.0023950200000000, 0.0000000000000000, 0.0006874200000000 ] - [ 0.0023716900000000, 0.0004365400000000, 0.0009887700000000 ] - [ -0.0005594200000000, -0.0000060800000000, -0.0013669000000000 ] - [ -0.0005122100000000, 0.0000000000000000, -0.0013577600000000 ] - [ -0.0005594200000000, 0.0000060800000000, -0.0013669000000000 ] - [ 0.0026305400000000, -0.0000059000000000, 0.0004237300000000 ] - [ 0.0026245200000000, 0.0000000000000000, 0.0004121500000000 ] - [ 0.0026305400000000, 0.0000059000000000, 0.0004237300000000 ] - [ 0.0001882300000000, -0.0000138900000000, -0.0014364600000000 ] - [ 0.0001612300000000, 0.0000000000000000, -0.0015063700000000 ] - [ 0.0001882300000000, 0.0000138900000000, -0.0014364600000000 ] - [ 0.0163861500000000, -0.0145446200000000, 0.0009752100000000 ] - [ 0.0026633200000000, 0.0000000000000000, -0.0004248800000000 ] - [ 0.0163861500000000, 0.0145446200000000, 0.0009752100000000 ] - [ -0.0044029000000000, 0.0010983500000000, -0.0035228000000000 ] - [ -0.0004390600000000, 0.0000000000000000, -0.0018860900000000 ] - [ -0.0044029000000000, -0.0010983500000000, -0.0035228000000000 ] - [ 0.0013880800000000, -0.0000802500000000, -0.0002367400000000 ] - [ 0.0013838200000000, 0.0000000000000000, -0.0001508400000000 ] - [ 0.0013880800000000, 0.0000802500000000, -0.0002367400000000 ] - [ -0.0031869700000000, -0.0020638000000000, -0.0017746800000000 ] - [ 0.0003045800000000, 0.0000000000000000, 0.0001722200000000 ] - [ -0.0031869700000000, 0.0020638000000000, -0.0017746800000000 ] - [ 0.0128223200000000, 0.0142316000000000, 0.0002253400000000 ] - [ 0.0030854400000000, 0.0000000000000000, -0.0001706000000000 ] - [ 0.0128223200000000, -0.0142316000000000, 0.0002253400000000 ] - [ 0.0009452000000000, -0.0001820100000000, -0.0025269300000000 ] - [ -0.0000757100000000, 0.0000000000000000, -0.0020861600000000 ] - [ 0.0009452000000000, 0.0001820100000000, -0.0025269300000000 ] - [ 0.0025862000000000, 0.0002420000000000, -0.0000682800000000 ] - [ 0.0025495700000000, 0.0000000000000000, 0.0000857600000000 ] - [ 0.0025862000000000, -0.0002420000000000, -0.0000682800000000 ] - [ 0.0023441800000000, 0.0001147100000000, 0.0004250400000000 ] - [ 0.0024358600000000, 0.0000000000000000, 0.0003389700000000 ] - [ 0.0023441800000000, -0.0001147100000000, 0.0004250400000000 ] - [ 0.0055248800000000, 0.0000000000000000, -0.0034724100000000 ] - [ 0.0055345900000000, -0.0000122700000000, -0.0034776600000000 ] - [ 0.0055345900000000, 0.0000122700000000, -0.0034776600000000 ] - [ 0.0063010800000000, 0.0000000000000000, -0.0033173400000000 ] - [ 0.0048032000000000, -0.0000860400000000, -0.0033899800000000 ] - [ 0.0048032000000000, 0.0000860400000000, -0.0033899800000000 ] - [ 0.0049474600000000, 0.0000000000000000, -0.0026085300000000 ] - [ 0.0049479400000000, -0.0000155000000000, -0.0026078600000000 ] - [ 0.0049479400000000, 0.0000155000000000, -0.0026078600000000 ] - [ 0.0103359000000000, 0.0000000000000000, -0.0007772200000000 ] - [ 0.0094000200000000, -0.0008347000000000, -0.0008860300000000 ] - [ 0.0094000200000000, 0.0008347000000000, -0.0008860300000000 ] - [ 0.0047239600000000, 0.0000000000000000, -0.0043710000000000 ] - [ 0.0047130800000000, -0.0000107400000000, -0.0043768800000000 ] - [ 0.0047130800000000, 0.0000107400000000, -0.0043768800000000 ] - [ 0.0043561500000000, 0.0000000000000000, -0.0040758300000000 ] - [ 0.0050991500000000, 0.0001449500000000, -0.0042438500000000 ] - [ 0.0050991500000000, -0.0001449500000000, -0.0042438500000000 ] - [ -0.0385510300000000, 0.0000000000000000, 0.0036941200000000 ] - [ 0.0082841100000000, 0.0028936900000000, 0.0041247100000000 ] - [ 0.0082841100000000, -0.0028936900000000, 0.0041247100000000 ] - [ 0.0004436000000000, 0.0000000000000000, 0.0001092000000000 ] - [ 0.0004352600000000, 0.0000044900000000, 0.0001011200000000 ] - [ 0.0004352600000000, -0.0000044900000000, 0.0001011200000000 ] - [ -0.0002968800000000, 0.0000000000000000, 0.0001159900000000 ] - [ -0.0002962900000000, 0.0000057400000000, 0.0001145900000000 ] - [ -0.0002962900000000, -0.0000057400000000, 0.0001145900000000 ] - [ -0.0003404600000000, 0.0000000000000000, -0.0002536300000000 ] - [ -0.0003321200000000, 0.0000410900000000, -0.0001945100000000 ] - [ -0.0003321200000000, -0.0000410900000000, -0.0001945100000000 ] - [ -0.0000416500000000, 0.0000000000000000, 0.0000784800000000 ] - [ -0.0000422600000000, 0.0000055400000000, 0.0000780000000000 ] - [ -0.0000422600000000, -0.0000055400000000, 0.0000780000000000 ] - [ -0.0006494100000000, 0.0000000000000000, 0.0001166000000000 ] - [ -0.0006447000000000, -0.0000080900000000, 0.0001114700000000 ] - [ -0.0006447000000000, 0.0000080900000000, 0.0001114700000000 ] - [ -0.0004912800000000, 0.0000000000000000, -0.0049120300000000 ] - [ 0.0006084600000000, 0.0008020000000000, -0.0007304800000000 ] - [ 0.0006084600000000, -0.0008020000000000, -0.0007304800000000 ] - [ -0.0036123800000000, 0.0000000000000000, 0.0044051800000000 ] - [ -0.0010521100000000, -0.0006163700000000, 0.0006455900000000 ] - [ -0.0010521100000000, 0.0006163700000000, 0.0006455900000000 ] - [ 0.0067312100000000, 0.0048786900000000, -0.0030637600000000 ] - [ -0.0086544500000000, 0.0000000000000000, -0.0033881500000000 ] - [ 0.0067312100000000, -0.0048786900000000, -0.0030637600000000 ] - [ -0.0116170400000000, 0.0000990000000000, 0.0055201100000000 ] - [ -0.0112466500000000, 0.0000000000000000, 0.0051751200000000 ] - [ -0.0116170400000000, -0.0000990000000000, 0.0055201100000000 ] - [ -0.0029050900000000, 0.0000649800000000, 0.0091268800000000 ] - [ -0.0034523700000000, 0.0000000000000000, 0.0080309200000000 ] - [ -0.0029050900000000, -0.0000649800000000, 0.0091268800000000 ] - [ -0.0059590000000000, 0.0000095600000000, 0.0049960700000000 ] - [ -0.0059628300000000, 0.0000000000000000, 0.0049595200000000 ] - [ -0.0059590000000000, -0.0000095600000000, 0.0049960700000000 ] - [ -0.0063933200000000, 0.0000086600000000, 0.0059123400000000 ] - [ -0.0063830200000000, 0.0000000000000000, 0.0059210400000000 ] - [ -0.0063933200000000, -0.0000086600000000, 0.0059123400000000 ] - [ -0.0075182900000000, 0.0000106100000000, 0.0047777300000000 ] - [ -0.0075295100000000, 0.0000000000000000, 0.0048127100000000 ] - [ -0.0075182900000000, -0.0000106100000000, 0.0047777300000000 ] - [ -0.0067612000000000, 0.0000103400000000, 0.0037549700000000 ] - [ -0.0067606300000000, 0.0000000000000000, 0.0037132400000000 ] - [ -0.0067612000000000, -0.0000103400000000, 0.0037549700000000 ] - [ -0.0075637800000000, 0.0001078100000000, 0.0041565100000000 ] - [ -0.0071383200000000, 0.0000000000000000, 0.0044260900000000 ] - [ -0.0075637800000000, -0.0001078100000000, 0.0041565100000000 ] - [ -0.0239950500000000, 0.0007032600000000, 0.0039853900000000 ] - [ -0.0091515100000000, 0.0000000000000000, 0.0025167600000000 ] - [ -0.0239950500000000, -0.0007032600000000, 0.0039853900000000 ] - [ -0.0063902000000000, 0.0001030900000000, 0.0061095600000000 ] - [ -0.0068324100000000, 0.0000000000000000, 0.0055446300000000 ] - [ -0.0063902000000000, -0.0001030900000000, 0.0061095600000000 ]- atom: 97 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005343100000000, 0.0000000000000000, -0.0000985800000000 ] - [ -0.0005330200000000, -0.0000144600000000, -0.0000812800000000 ] - [ -0.0005330200000000, 0.0000144600000000, -0.0000812800000000 ] - [ 0.0013135100000000, 0.0000000000000000, -0.0027315900000000 ] - [ -0.0002611100000000, -0.0003255200000000, -0.0002169800000000 ] - [ -0.0002611100000000, 0.0003255200000000, -0.0002169800000000 ] - [ 0.0022283500000000, 0.0000000000000000, 0.0032056400000000 ] - [ 0.0000075300000000, 0.0003865200000000, 0.0008162000000000 ] - [ 0.0000075300000000, -0.0003865200000000, 0.0008162000000000 ] - [ 0.0044882500000000, 0.0000000000000000, -0.0036770500000000 ] - [ 0.0044874300000000, 0.0000160500000000, -0.0036811000000000 ] - [ 0.0044874300000000, -0.0000160500000000, -0.0036811000000000 ] - [ 0.0094402200000000, 0.0000000000000000, -0.0034035900000000 ] - [ 0.0095793800000000, 0.0001020400000000, -0.0034195100000000 ] - [ 0.0095793800000000, -0.0001020400000000, -0.0034195100000000 ] - [ 0.0016321200000000, 0.0000000000000000, -0.0071925900000000 ] - [ 0.0013902700000000, 0.0003387700000000, -0.0071225900000000 ] - [ 0.0013902700000000, -0.0003387700000000, -0.0071225900000000 ] - [ -0.0006484100000000, 0.0000031800000000, -0.0012588000000000 ] - [ -0.0006484000000000, 0.0000000000000000, -0.0012607300000000 ] - [ -0.0006484100000000, -0.0000031800000000, -0.0012588000000000 ] - [ 0.0019780300000000, 0.0000030600000000, 0.0002783800000000 ] - [ 0.0019732500000000, 0.0000000000000000, 0.0002681800000000 ] - [ 0.0019780300000000, -0.0000030600000000, 0.0002783800000000 ] - [ -0.0002698400000000, 0.0000578900000000, -0.0018220800000000 ] - [ -0.0003109500000000, 0.0000000000000000, -0.0019754300000000 ] - [ -0.0002698400000000, -0.0000578900000000, -0.0018220800000000 ] - [ 0.0019471500000000, 0.0000025300000000, 0.0000803600000000 ] - [ 0.0019457700000000, 0.0000000000000000, 0.0000678300000000 ] - [ 0.0019471500000000, -0.0000025300000000, 0.0000803600000000 ] - [ -0.0000897500000000, 0.0000139900000000, -0.0012264700000000 ] - [ -0.0000544000000000, 0.0000000000000000, -0.0013068800000000 ] - [ -0.0000897500000000, -0.0000139900000000, -0.0012264700000000 ] - [ 0.0023120000000000, 0.0000017100000000, -0.0000749900000000 ] - [ 0.0023041300000000, 0.0000000000000000, -0.0000762000000000 ] - [ 0.0023120000000000, -0.0000017100000000, -0.0000749900000000 ] - [ 0.0003491300000000, 0.0000033000000000, -0.0011435500000000 ] - [ 0.0003493500000000, 0.0000000000000000, -0.0011556600000000 ] - [ 0.0003491300000000, -0.0000033000000000, -0.0011435500000000 ] - [ -0.0022777500000000, -0.0001186300000000, -0.0024118100000000 ] - [ -0.0006446400000000, 0.0000000000000000, -0.0020473100000000 ] - [ -0.0022777500000000, 0.0001186300000000, -0.0024118100000000 ] - [ 0.0026022700000000, 0.0004464200000000, 0.0000834400000000 ] - [ 0.0025753000000000, 0.0000000000000000, 0.0003920700000000 ] - [ 0.0026022700000000, -0.0004464200000000, 0.0000834400000000 ] - [ -0.0003959100000000, 0.0000072500000000, -0.0009423600000000 ] - [ -0.0004429600000000, 0.0000000000000000, -0.0009496700000000 ] - [ -0.0003959100000000, -0.0000072500000000, -0.0009423600000000 ] - [ 0.0025796500000000, 0.0000063700000000, 0.0004589400000000 ] - [ 0.0025836400000000, 0.0000000000000000, 0.0004712800000000 ] - [ 0.0025796500000000, -0.0000063700000000, 0.0004589400000000 ] - [ 0.0000744800000000, 0.0000163800000000, -0.0015939300000000 ] - [ 0.0001018500000000, 0.0000000000000000, -0.0015145000000000 ] - [ 0.0000744800000000, -0.0000163800000000, -0.0015939300000000 ] - [ -0.0106122300000000, 0.0147699400000000, -0.0016935600000000 ] - [ 0.0032615100000000, 0.0000000000000000, -0.0002728900000000 ] - [ -0.0106122300000000, -0.0147699400000000, -0.0016935600000000 ] - [ 0.0038223700000000, -0.0011522900000000, 0.0007963600000000 ] - [ -0.0001267400000000, 0.0000000000000000, -0.0009122200000000 ] - [ 0.0038223700000000, 0.0011522900000000, 0.0007963600000000 ] - [ 0.0014544700000000, 0.0000817700000000, -0.0001273000000000 ] - [ 0.0014543700000000, 0.0000000000000000, -0.0002153700000000 ] - [ 0.0014544700000000, -0.0000817700000000, -0.0001273000000000 ] - [ 0.0040463200000000, 0.0020353800000000, 0.0007876100000000 ] - [ 0.0005350100000000, 0.0000000000000000, -0.0011090900000000 ] - [ 0.0040463200000000, -0.0020353800000000, 0.0007876100000000 ] - [ -0.0080350900000000, -0.0139899200000000, -0.0005411100000000 ] - [ 0.0015696600000000, 0.0000000000000000, -0.0001601600000000 ] - [ -0.0080350900000000, 0.0139899200000000, -0.0005411100000000 ] - [ -0.0011963700000000, 0.0001868500000000, -0.0015697400000000 ] - [ -0.0001746700000000, 0.0000000000000000, -0.0020297700000000 ] - [ -0.0011963700000000, -0.0001868500000000, -0.0015697400000000 ] - [ 0.0022618900000000, -0.0002345900000000, 0.0004369200000000 ] - [ 0.0023036200000000, 0.0000000000000000, 0.0002878800000000 ] - [ 0.0022618900000000, 0.0002345900000000, 0.0004369200000000 ] - [ 0.0024708600000000, -0.0001128700000000, 0.0001005600000000 ] - [ 0.0023828800000000, 0.0000000000000000, 0.0001825600000000 ] - [ 0.0024708600000000, 0.0001128700000000, 0.0001005600000000 ] - [ 0.0055291500000000, 0.0000000000000000, -0.0034650300000000 ] - [ 0.0055191000000000, 0.0000135700000000, -0.0034586600000000 ] - [ 0.0055191000000000, -0.0000135700000000, -0.0034586600000000 ] - [ 0.0029969800000000, 0.0000000000000000, -0.0035224500000000 ] - [ 0.0044955400000000, 0.0000951800000000, -0.0034252000000000 ] - [ 0.0044955400000000, -0.0000951800000000, -0.0034252000000000 ] - [ 0.0049462500000000, 0.0000000000000000, -0.0025522900000000 ] - [ 0.0049457000000000, 0.0000164100000000, -0.0025532700000000 ] - [ 0.0049457000000000, -0.0000164100000000, -0.0025532700000000 ] - [ 0.0035114900000000, 0.0000000000000000, -0.0005625000000000 ] - [ 0.0044493700000000, 0.0008956700000000, -0.0004604500000000 ] - [ 0.0044493700000000, -0.0008956700000000, -0.0004604500000000 ] - [ 0.0047144600000000, 0.0000000000000000, -0.0042967500000000 ] - [ 0.0047259600000000, 0.0000124200000000, -0.0042913200000000 ] - [ 0.0047259600000000, -0.0000124200000000, -0.0042913200000000 ] - [ 0.0060518300000000, 0.0000000000000000, -0.0039228700000000 ] - [ 0.0053069100000000, -0.0001457200000000, -0.0037434600000000 ] - [ 0.0053069100000000, 0.0001457200000000, -0.0037434600000000 ] - [ 0.0525775500000000, 0.0000000000000000, 0.0052207400000000 ] - [ 0.0054956200000000, -0.0031102900000000, 0.0046242600000000 ] - [ 0.0054956200000000, 0.0031102900000000, 0.0046242600000000 ] - [ 0.0004227300000000, 0.0000000000000000, 0.0001053600000000 ] - [ 0.0004297100000000, -0.0000055500000000, 0.0001152400000000 ] - [ 0.0004297100000000, 0.0000055500000000, 0.0001152400000000 ] - [ -0.0003106200000000, 0.0000000000000000, 0.0000637200000000 ] - [ -0.0003097000000000, -0.0000052000000000, 0.0000641800000000 ] - [ -0.0003097000000000, 0.0000052000000000, 0.0000641800000000 ] - [ -0.0004547800000000, 0.0000000000000000, -0.0000782800000000 ] - [ -0.0004630700000000, -0.0000440500000000, -0.0001428600000000 ] - [ -0.0004630700000000, 0.0000440500000000, -0.0001428600000000 ] - [ -0.0000290200000000, 0.0000000000000000, 0.0000200100000000 ] - [ -0.0000293500000000, -0.0000062800000000, 0.0000205400000000 ] - [ -0.0000293500000000, 0.0000062800000000, 0.0000205400000000 ] - [ -0.0005097200000000, 0.0000000000000000, -0.0000324600000000 ] - [ -0.0005153700000000, 0.0000062000000000, -0.0000321200000000 ] - [ -0.0005153700000000, -0.0000062000000000, -0.0000321200000000 ] - [ 0.0005508500000000, 0.0000000000000000, 0.0048760500000000 ] - [ -0.0004517500000000, -0.0008116500000000, 0.0007856900000000 ] - [ -0.0004517500000000, 0.0008116500000000, 0.0007856900000000 ] - [ 0.0024837200000000, 0.0000000000000000, -0.0047836800000000 ] - [ -0.0001380000000000, 0.0006092800000000, -0.0009703100000000 ] - [ -0.0001380000000000, -0.0006092800000000, -0.0009703100000000 ] - [ -0.0257060400000000, -0.0055966300000000, -0.0035925200000000 ] - [ -0.0102265200000000, 0.0000000000000000, -0.0032345500000000 ] - [ -0.0257060400000000, 0.0055966300000000, -0.0035925200000000 ] - [ -0.0107457200000000, -0.0001069100000000, 0.0048253900000000 ] - [ -0.0111162600000000, 0.0000000000000000, 0.0051905600000000 ] - [ -0.0107457200000000, 0.0001069100000000, 0.0048253900000000 ] - [ -0.0040120400000000, -0.0000716300000000, 0.0078969500000000 ] - [ -0.0034696100000000, 0.0000000000000000, 0.0089795600000000 ] - [ -0.0040120400000000, 0.0000716300000000, 0.0078969500000000 ] - [ -0.0059806000000000, -0.0000124100000000, 0.0048346900000000 ] - [ -0.0059714000000000, 0.0000000000000000, 0.0048743600000000 ] - [ -0.0059806000000000, 0.0000124100000000, 0.0048346900000000 ] - [ -0.0063980100000000, -0.0000115400000000, 0.0056200700000000 ] - [ -0.0064056100000000, 0.0000000000000000, 0.0056025900000000 ] - [ -0.0063980100000000, 0.0000115400000000, 0.0056200700000000 ] - [ -0.0075257000000000, -0.0000099500000000, 0.0047757000000000 ] - [ -0.0075162100000000, 0.0000000000000000, 0.0047395400000000 ] - [ -0.0075257000000000, 0.0000099500000000, 0.0047757000000000 ] - [ -0.0067509700000000, -0.0000083300000000, 0.0035269900000000 ] - [ -0.0067538900000000, 0.0000000000000000, 0.0035688600000000 ] - [ -0.0067509700000000, 0.0000083300000000, 0.0035269900000000 ] - [ -0.0063447300000000, -0.0001302000000000, 0.0048305600000000 ] - [ -0.0067726700000000, 0.0000000000000000, 0.0045365600000000 ] - [ -0.0063447300000000, 0.0001302000000000, 0.0048305600000000 ] - [ 0.0064703000000000, -0.0007539800000000, 0.0010125300000000 ] - [ -0.0083845800000000, 0.0000000000000000, 0.0024903600000000 ] - [ 0.0064703000000000, 0.0007539800000000, 0.0010125300000000 ] - [ -0.0076121700000000, -0.0001159700000000, 0.0041541100000000 ] - [ -0.0071672800000000, 0.0000000000000000, 0.0047397800000000 ] - [ -0.0076121700000000, 0.0001159700000000, 0.0041541100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005353200000000, 0.0007296200000000, -0.0000648700000000 ] - [ -0.0004327900000000, -0.0003618900000000, -0.0003970700000000 ] - [ -0.0006369400000000, -0.0003640200000000, 0.0002644300000000 ] - [ -0.0001944700000000, 0.0055846300000000, 0.0001151300000000 ] - [ 0.0012341100000000, -0.0020530800000000, -0.0011912200000000 ] - [ -0.0014887400000000, -0.0020650100000000, 0.0012974100000000 ] - [ -0.0000985800000000, 0.0051819300000000, 0.0003557400000000 ] - [ -0.0012414900000000, -0.0021738800000000, -0.0014449000000000 ] - [ 0.0009213800000000, -0.0021818400000000, 0.0020551800000000 ] - [ 0.0044870400000000, -0.0010087000000000, -0.0036992400000000 ] - [ 0.0045424700000000, 0.0005047100000000, -0.0035700100000000 ] - [ 0.0044330400000000, 0.0005064600000000, -0.0038279200000000 ] - [ 0.0096359400000000, -0.0045813000000000, -0.0034485000000000 ] - [ 0.0097012300000000, 0.0022761700000000, -0.0030090300000000 ] - [ 0.0095714900000000, 0.0022938800000000, -0.0038792500000000 ] - [ 0.0013807300000000, -0.0103876400000000, -0.0072207100000000 ] - [ 0.0017952500000000, 0.0059503000000000, -0.0050044100000000 ] - [ 0.0009649400000000, 0.0059603100000000, -0.0094164300000000 ] - [ -0.0006562700000000, -0.0001206400000000, -0.0012903600000000 ] - [ -0.0006468300000000, 0.0002412500000000, -0.0013002600000000 ] - [ -0.0006374300000000, -0.0001195600000000, -0.0013075500000000 ] - [ 0.0018871300000000, -0.0001144300000000, 0.0005603000000000 ] - [ 0.0019681700000000, 0.0002248600000000, 0.0002577700000000 ] - [ 0.0020532700000000, -0.0001135800000000, -0.0000465700000000 ] - [ -0.0000715500000000, -0.0004336000000000, 0.0022364800000000 ] - [ -0.0003181600000000, 0.0014023800000000, -0.0019665800000000 ] - [ -0.0005658300000000, -0.0004312200000000, -0.0061830500000000 ] - [ 0.0021024800000000, -0.0001496900000000, 0.0004317100000000 ] - [ 0.0019483700000000, 0.0002907600000000, 0.0000563500000000 ] - [ 0.0017921800000000, -0.0001485300000000, -0.0003205200000000 ] - [ -0.0001392900000000, -0.0003061500000000, 0.0007424200000000 ] - [ -0.0000497900000000, 0.0006127500000000, -0.0013216800000000 ] - [ 0.0000399600000000, -0.0003030600000000, -0.0034019500000000 ] - [ 0.0021930100000000, -0.0001538300000000, -0.0004206700000000 ] - [ 0.0022787500000000, 0.0002970400000000, -0.0000921800000000 ] - [ 0.0023630000000000, -0.0001519500000000, 0.0002393400000000 ] - [ 0.0002573600000000, -0.0001119300000000, -0.0012125700000000 ] - [ 0.0003433100000000, 0.0003240200000000, -0.0012322700000000 ] - [ 0.0004292500000000, -0.0001116400000000, -0.0012495600000000 ] - [ -0.0004108000000000, -0.0014940200000000, -0.0069119900000000 ] - [ -0.0005050800000000, 0.0029152200000000, -0.0019591500000000 ] - [ -0.0005993900000000, -0.0014564400000000, 0.0030053600000000 ] - [ 0.0009676500000000, -0.0009212200000000, -0.0014354800000000 ] - [ 0.0024782800000000, 0.0018544400000000, 0.0005357500000000 ] - [ 0.0039902700000000, -0.0008946600000000, 0.0025296800000000 ] - [ -0.0007121100000000, -0.0004637700000000, -0.0045886200000000 ] - [ -0.0004782700000000, 0.0014239100000000, -0.0011662900000000 ] - [ -0.0002447100000000, -0.0004598300000000, 0.0022714600000000 ] - [ 0.0026807100000000, -0.0001535800000000, 0.0001511400000000 ] - [ 0.0026062600000000, 0.0003043300000000, 0.0004417600000000 ] - [ 0.0025343900000000, -0.0001519700000000, 0.0007352400000000 ] - [ 0.0001839700000000, -0.0003300500000000, -0.0033409400000000 ] - [ 0.0001317900000000, 0.0006587500000000, -0.0015124900000000 ] - [ 0.0000807200000000, -0.0003229800000000, 0.0003356400000000 ] - [ -0.0271139700000000, 0.0109405800000000, -0.0036880200000000 ] - [ 0.0029098400000000, 0.0062710100000000, -0.0003550200000000 ] - [ 0.0327660800000000, 0.0110231700000000, 0.0029572200000000 ] - [ 0.0010977400000000, 0.0137451400000000, -0.0355720100000000 ] - [ -0.0002802300000000, 0.0059211600000000, -0.0014558100000000 ] - [ -0.0016448700000000, 0.0138243300000000, 0.0323797900000000 ] - [ -0.0002619500000000, -0.0005599100000000, 0.0018358200000000 ] - [ 0.0014115700000000, 0.0010085000000000, -0.0001785500000000 ] - [ 0.0030870400000000, -0.0005533100000000, -0.0022029700000000 ] - [ -0.0021506200000000, 0.0095761900000000, 0.0328835200000000 ] - [ 0.0004162400000000, 0.0043381100000000, -0.0004172700000000 ] - [ 0.0029388200000000, 0.0096735500000000, -0.0335045500000000 ] - [ 0.0323105600000000, 0.0112668300000000, 0.0004356100000000 ] - [ 0.0023813700000000, 0.0058357200000000, -0.0001673100000000 ] - [ -0.0272051700000000, 0.0113693300000000, -0.0007469600000000 ] - [ -0.0000896200000000, -0.0009037200000000, 0.0028286800000000 ] - [ -0.0001254600000000, 0.0017135100000000, -0.0020519000000000 ] - [ -0.0001506900000000, -0.0008851700000000, -0.0069621900000000 ] - [ 0.0040350900000000, -0.0008658300000000, -0.0021459300000000 ] - [ 0.0024345600000000, 0.0016175400000000, 0.0001810800000000 ] - [ 0.0008418100000000, -0.0008451300000000, 0.0025260600000000 ] - [ 0.0041686700000000, -0.0006505800000000, 0.0023750000000000 ] - [ 0.0024176600000000, 0.0012749700000000, 0.0002655900000000 ] - [ 0.0006653100000000, -0.0006395900000000, -0.0018611100000000 ] - [ 0.0055271200000000, -0.0009190400000000, -0.0034656100000000 ] - [ 0.0055452700000000, 0.0004592900000000, -0.0036305100000000 ] - [ 0.0055088500000000, 0.0004644500000000, -0.0033027700000000 ] - [ 0.0046501500000000, -0.0037966700000000, -0.0033792000000000 ] - [ 0.0047606800000000, 0.0018672500000000, -0.0043656000000000 ] - [ 0.0045412400000000, 0.0018909900000000, -0.0024517900000000 ] - [ 0.0049467600000000, -0.0012560300000000, -0.0025790100000000 ] - [ 0.0049366800000000, 0.0006719700000000, -0.0024082100000000 ] - [ 0.0049566100000000, 0.0006749600000000, -0.0027489700000000 ] - [ 0.0069379100000000, -0.0179801400000000, -0.0006800300000000 ] - [ 0.0075988800000000, 0.0104508500000000, -0.0009164100000000 ] - [ 0.0062668500000000, 0.0104716000000000, -0.0004337200000000 ] - [ 0.0047191000000000, -0.0010977200000000, -0.0043327900000000 ] - [ 0.0047370200000000, 0.0005912600000000, -0.0045101300000000 ] - [ 0.0047020700000000, 0.0005954100000000, -0.0041589900000000 ] - [ 0.0051983100000000, -0.0090305100000000, -0.0039934600000000 ] - [ 0.0051002400000000, 0.0053053100000000, -0.0071145900000000 ] - [ 0.0053010000000000, 0.0053167400000000, -0.0009015500000000 ] - [ 0.0064616000000000, -0.3416619000000000, 0.0040746900000000 ] - [ 0.0038437600000000, 0.0597325000000000, 0.0013683000000000 ] - [ 0.0098485200000000, 0.0590536700000000, 0.0072701100000000 ] - [ 0.0004311100000000, 0.0015556700000000, 0.0001109300000000 ] - [ 0.0001690900000000, -0.0007676600000000, -0.0005582400000000 ] - [ 0.0006905900000000, -0.0007724900000000, 0.0007737700000000 ] - [ -0.0003028700000000, 0.0004874500000000, 0.0000882300000000 ] - [ -0.0002926900000000, -0.0002421300000000, 0.0000752500000000 ] - [ -0.0003112200000000, -0.0002449200000000, 0.0001011100000000 ] - [ -0.0003933400000000, 0.0013544600000000, -0.0001762100000000 ] - [ -0.0001731800000000, -0.0006701700000000, 0.0005088700000000 ] - [ -0.0006156700000000, -0.0006765400000000, -0.0008476600000000 ] - [ -0.0000359700000000, 0.0004925600000000, 0.0000472100000000 ] - [ -0.0000447800000000, -0.0002451700000000, 0.0000332900000000 ] - [ -0.0000281600000000, -0.0002465400000000, 0.0000620200000000 ] - [ -0.0005838300000000, 0.0014979500000000, 0.0000330300000000 ] - [ -0.0007758300000000, -0.0007401400000000, 0.0007517600000000 ] - [ -0.0003901700000000, -0.0007469800000000, -0.0006724500000000 ] - [ -0.0000124400000000, 0.0116754200000000, -0.0000877900000000 ] - [ 0.0026165000000000, -0.0043961600000000, 0.0035556500000000 ] - [ -0.0024169100000000, -0.0044256400000000, -0.0034750200000000 ] - [ -0.0004991100000000, 0.0118810400000000, -0.0002598900000000 ] - [ -0.0035482300000000, -0.0048486600000000, 0.0033091500000000 ] - [ 0.0023136900000000, -0.0048714100000000, -0.0036074200000000 ] - [ 0.0021083700000000, 0.0747092200000000, 0.0059231400000000 ] - [ -0.0094299500000000, -0.0427779300000000, -0.0032960300000000 ] - [ -0.0206016500000000, 0.0657974100000000, -0.0120284100000000 ] - [ -0.0104742800000000, 0.0020640100000000, -0.0001692900000000 ] - [ -0.0111801400000000, -0.0040958400000000, 0.0051736900000000 ] - [ -0.0118884900000000, 0.0020388900000000, 0.0105631800000000 ] - [ -0.0068190600000000, 0.0042971400000000, -0.0134373200000000 ] - [ -0.0034672000000000, -0.0094701100000000, 0.0084597100000000 ] - [ -0.0001200500000000, 0.0042572400000000, 0.0303998900000000 ] - [ -0.0060637900000000, 0.0004197700000000, 0.0038383200000000 ] - [ -0.0059680800000000, -0.0008388600000000, 0.0049128600000000 ] - [ -0.0058764500000000, 0.0004186500000000, 0.0059931100000000 ] - [ -0.0063628400000000, 0.0004213500000000, 0.0071483900000000 ] - [ -0.0063945900000000, -0.0009605000000000, 0.0057663300000000 ] - [ -0.0064284900000000, 0.0004189000000000, 0.0043800500000000 ] - [ -0.0074737100000000, 0.0004066100000000, 0.0057257400000000 ] - [ -0.0075228300000000, -0.0008104700000000, 0.0047753100000000 ] - [ -0.0075707500000000, 0.0004005100000000, 0.0038094400000000 ] - [ -0.0066612200000000, 0.0004601500000000, 0.0018889900000000 ] - [ -0.0067566300000000, -0.0010478100000000, 0.0036320400000000 ] - [ -0.0068502500000000, 0.0004555100000000, 0.0053835700000000 ] - [ -0.0071425100000000, 0.0018531400000000, 0.0087100600000000 ] - [ -0.0069569300000000, -0.0036431300000000, 0.0044915900000000 ] - [ -0.0067776800000000, 0.0017994600000000, 0.0002359200000000 ] - [ -0.0078408200000000, 0.0070000600000000, 0.0029748900000000 ] - [ -0.0087666900000000, -0.0152056800000000, 0.0025070600000000 ] - [ -0.0097794700000000, 0.0069332900000000, 0.0020603800000000 ] - [ -0.0060628400000000, 0.0036357400000000, 0.0228802200000000 ] - [ -0.0069972800000000, -0.0078284900000000, 0.0051829100000000 ] - [ -0.0079327000000000, 0.0035991700000000, -0.0125338600000000 ]- atom: 97 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0003742200000000, 0.0000000000000000, -0.0005419000000000 ] - [ -0.0004160000000000, -0.0000943500000000, -0.0004182500000000 ] - [ -0.0004160000000000, 0.0000943500000000, -0.0004182500000000 ] - [ 0.0029923300000000, 0.0000000000000000, -0.0000558100000000 ] - [ 0.0004562800000000, -0.0004382600000000, 0.0005546200000000 ] - [ 0.0004562800000000, 0.0004382600000000, 0.0005546200000000 ] - [ -0.0034329900000000, 0.0000000000000000, -0.0005512600000000 ] - [ -0.0005458200000000, -0.0002891800000000, 0.0006754900000000 ] - [ -0.0005458200000000, 0.0002891800000000, 0.0006754900000000 ] - [ 0.0045639500000000, 0.0000000000000000, -0.0031594300000000 ] - [ 0.0045479700000000, 0.0000870300000000, -0.0032137700000000 ] - [ 0.0045479700000000, -0.0000870300000000, -0.0032137700000000 ] - [ 0.0097158200000000, 0.0000000000000000, -0.0032662500000000 ] - [ 0.0096829600000000, 0.0005091800000000, -0.0034014700000000 ] - [ 0.0096829600000000, -0.0005091800000000, -0.0034014700000000 ] - [ 0.0016085500000000, 0.0000000000000000, -0.0056086400000000 ] - [ 0.0016251800000000, 0.0023926500000000, -0.0060166500000000 ] - [ 0.0016251800000000, -0.0023926500000000, -0.0060166500000000 ] - [ -0.0006350900000000, -0.0000050300000000, 0.0002132700000000 ] - [ -0.0006382700000000, 0.0000000000000000, -0.0000237300000000 ] - [ -0.0006350900000000, 0.0000050300000000, 0.0002132700000000 ] - [ 0.0018740100000000, 0.0000201300000000, 0.0007771200000000 ] - [ 0.0019044700000000, 0.0000000000000000, 0.0006597600000000 ] - [ 0.0018740100000000, -0.0000201300000000, 0.0007771200000000 ] - [ -0.0001736400000000, 0.0002730700000000, 0.0009502000000000 ] - [ -0.0002678900000000, 0.0000000000000000, -0.0003243200000000 ] - [ -0.0001736400000000, -0.0002730700000000, 0.0009502000000000 ] - [ 0.0021074300000000, 0.0000271800000000, 0.0007067300000000 ] - [ 0.0020598600000000, 0.0000000000000000, 0.0005671300000000 ] - [ 0.0021074300000000, -0.0000271800000000, 0.0007067300000000 ] - [ 0.0000851000000000, 0.0000754300000000, -0.0000454300000000 ] - [ 0.0000759000000000, 0.0000000000000000, -0.0005065900000000 ] - [ 0.0000851000000000, -0.0000754300000000, -0.0000454300000000 ] - [ 0.0024026000000000, -0.0000409100000000, 0.0005030500000000 ] - [ 0.0023833700000000, 0.0000000000000000, 0.0003582600000000 ] - [ 0.0024026000000000, 0.0000409100000000, 0.0005030500000000 ] - [ 0.0003677300000000, -0.0000041200000000, 0.0006434400000000 ] - [ 0.0003583000000000, 0.0000000000000000, 0.0003349500000000 ] - [ 0.0003677300000000, 0.0000041200000000, 0.0006434400000000 ] - [ -0.0007236700000000, -0.0008277000000000, -0.0042141600000000 ] - [ -0.0006932400000000, 0.0000000000000000, -0.0034287900000000 ] - [ -0.0007236700000000, 0.0008277000000000, -0.0042141600000000 ] - [ 0.0034774900000000, -0.0006413500000000, 0.0011563000000000 ] - [ 0.0028133000000000, 0.0000000000000000, 0.0003556100000000 ] - [ 0.0034774900000000, 0.0006413500000000, 0.0011563000000000 ] - [ -0.0004175900000000, -0.0003099100000000, 0.0012413100000000 ] - [ -0.0004839700000000, 0.0000000000000000, 0.0001740200000000 ] - [ -0.0004175900000000, 0.0003099100000000, 0.0012413100000000 ] - [ 0.0025550200000000, -0.0000427500000000, 0.0010233800000000 ] - [ 0.0025587000000000, 0.0000000000000000, 0.0008916700000000 ] - [ 0.0025550200000000, 0.0000427500000000, 0.0010233800000000 ] - [ 0.0000939400000000, -0.0001870100000000, -0.0002350300000000 ] - [ 0.0001071000000000, 0.0000000000000000, -0.0008605800000000 ] - [ 0.0000939400000000, 0.0001870100000000, -0.0002350300000000 ] - [ 0.0037870100000000, -0.0011861100000000, -0.0050677200000000 ] - [ 0.0025110000000000, 0.0000000000000000, -0.0012096700000000 ] - [ 0.0037870100000000, 0.0011861100000000, -0.0050677200000000 ] - [ -0.0015748100000000, -0.0164418400000000, 0.0073364000000000 ] - [ -0.0002816000000000, 0.0000000000000000, -0.0035093200000000 ] - [ -0.0015748100000000, 0.0164418400000000, 0.0073364000000000 ] - [ -0.0000010000000000, 0.0001608600000000, 0.0004160100000000 ] - [ 0.0009043600000000, 0.0000000000000000, -0.0001581900000000 ] - [ -0.0000010000000000, -0.0001608600000000, 0.0004160100000000 ] - [ -0.0000577600000000, 0.0128003900000000, 0.0091398300000000 ] - [ 0.0005429500000000, 0.0000000000000000, -0.0020621300000000 ] - [ -0.0000577600000000, -0.0128003900000000, 0.0091398300000000 ] - [ 0.0049383000000000, 0.0016544400000000, -0.0051579300000000 ] - [ 0.0027893800000000, 0.0000000000000000, -0.0008186700000000 ] - [ 0.0049383000000000, -0.0016544400000000, -0.0051579300000000 ] - [ -0.0002734500000000, 0.0002585800000000, -0.0039779400000000 ] - [ -0.0001632700000000, 0.0000000000000000, -0.0034141400000000 ] - [ -0.0002734500000000, -0.0002585800000000, -0.0039779400000000 ] - [ 0.0014651000000000, -0.0004412400000000, 0.0008138800000000 ] - [ 0.0020487500000000, 0.0000000000000000, 0.0000606200000000 ] - [ 0.0014651000000000, 0.0004412400000000, 0.0008138800000000 ] - [ 0.0038047700000000, 0.0002926500000000, 0.0008570100000000 ] - [ 0.0029268100000000, 0.0000000000000000, 0.0002485300000000 ] - [ 0.0038047700000000, -0.0002926500000000, 0.0008570100000000 ] - [ 0.0055191000000000, 0.0000000000000000, -0.0029032300000000 ] - [ 0.0055269900000000, -0.0001164900000000, -0.0029849100000000 ] - [ 0.0055269900000000, 0.0001164900000000, -0.0029849100000000 ] - [ 0.0047228100000000, 0.0000000000000000, -0.0020163600000000 ] - [ 0.0046437400000000, -0.0006282100000000, -0.0034990800000000 ] - [ 0.0046437400000000, 0.0006282100000000, -0.0034990800000000 ] - [ 0.0048781200000000, 0.0000000000000000, -0.0018637900000000 ] - [ 0.0048829200000000, 0.0001273100000000, -0.0019220100000000 ] - [ 0.0048829200000000, -0.0001273100000000, -0.0019220100000000 ] - [ 0.0070763900000000, 0.0000000000000000, -0.0025797800000000 ] - [ 0.0072184800000000, -0.0000404200000000, -0.0014186300000000 ] - [ 0.0072184800000000, 0.0000404200000000, -0.0014186300000000 ] - [ 0.0047188900000000, 0.0000000000000000, -0.0036238100000000 ] - [ 0.0047221200000000, -0.0001253200000000, -0.0036946000000000 ] - [ 0.0047221200000000, 0.0001253200000000, -0.0036946000000000 ] - [ 0.0052124800000000, 0.0000000000000000, -0.0022077500000000 ] - [ 0.0053918000000000, -0.0023006000000000, -0.0027351700000000 ] - [ 0.0053918000000000, 0.0023006000000000, -0.0027351700000000 ] - [ 0.0062553800000000, 0.0000000000000000, -0.0417690400000000 ] - [ 0.0066359900000000, 0.0028389900000000, 0.0053073000000000 ] - [ 0.0066359900000000, -0.0028389900000000, 0.0053073000000000 ] - [ 0.0000196300000000, 0.0000000000000000, -0.0008245100000000 ] - [ 0.0001225900000000, -0.0001965500000000, -0.0005747500000000 ] - [ 0.0001225900000000, 0.0001965500000000, -0.0005747500000000 ] - [ -0.0002904200000000, 0.0000000000000000, -0.0006402400000000 ] - [ -0.0002924200000000, 0.0000065200000000, -0.0005759300000000 ] - [ -0.0002924200000000, -0.0000065200000000, -0.0005759300000000 ] - [ -0.0005940000000000, 0.0000000000000000, -0.0011435300000000 ] - [ -0.0006359100000000, 0.0002226000000000, -0.0007770800000000 ] - [ -0.0006359100000000, -0.0002226000000000, -0.0007770800000000 ] - [ -0.0000561000000000, 0.0000000000000000, -0.0007358100000000 ] - [ -0.0000531800000000, 0.0000023700000000, -0.0006671800000000 ] - [ -0.0000531800000000, -0.0000023700000000, -0.0006671800000000 ] - [ -0.0004021900000000, 0.0000000000000000, -0.0009701400000000 ] - [ -0.0003590700000000, 0.0002426400000000, -0.0005946200000000 ] - [ -0.0003590700000000, -0.0002426400000000, -0.0005946200000000 ] - [ -0.0036578300000000, 0.0000000000000000, 0.0003180900000000 ] - [ -0.0006894100000000, 0.0009305100000000, 0.0012220700000000 ] - [ -0.0006894100000000, -0.0009305100000000, 0.0012220700000000 ] - [ 0.0048912200000000, 0.0000000000000000, -0.0006344100000000 ] - [ 0.0003414600000000, 0.0009308500000000, 0.0011357900000000 ] - [ 0.0003414600000000, -0.0009308500000000, 0.0011357900000000 ] - [ -0.0094900000000000, 0.0018583300000000, 0.0157312100000000 ] - [ -0.0096296300000000, 0.0000000000000000, 0.0005813500000000 ] - [ -0.0094900000000000, -0.0018583300000000, 0.0157312100000000 ] - [ -0.0110550500000000, -0.0006328000000000, 0.0051895500000000 ] - [ -0.0111975900000000, 0.0000000000000000, 0.0055004100000000 ] - [ -0.0110550500000000, 0.0006328000000000, 0.0051895500000000 ] - [ -0.0049538700000000, -0.0016830500000000, -0.0008299100000000 ] - [ -0.0034730200000000, 0.0000000000000000, 0.0083680300000000 ] - [ -0.0049538700000000, 0.0016830500000000, -0.0008299100000000 ] - [ -0.0061442800000000, -0.0000769200000000, 0.0031183400000000 ] - [ -0.0061082200000000, 0.0000000000000000, 0.0035055200000000 ] - [ -0.0061442800000000, 0.0000769200000000, 0.0031183400000000 ] - [ -0.0064534800000000, 0.0001065900000000, 0.0032922400000000 ] - [ -0.0064337800000000, 0.0000000000000000, 0.0038343800000000 ] - [ -0.0064534800000000, -0.0001065900000000, 0.0032922400000000 ] - [ -0.0075744700000000, 0.0001063500000000, 0.0028889000000000 ] - [ -0.0075628800000000, 0.0000000000000000, 0.0033904400000000 ] - [ -0.0075744700000000, -0.0001063500000000, 0.0028889000000000 ] - [ -0.0065901700000000, -0.0000924400000000, 0.0009325400000000 ] - [ -0.0066168100000000, 0.0000000000000000, 0.0015518200000000 ] - [ -0.0065901700000000, 0.0000924400000000, 0.0009325400000000 ] - [ -0.0070893100000000, 0.0014153200000000, 0.0045116800000000 ] - [ -0.0069574600000000, 0.0000000000000000, 0.0048449600000000 ] - [ -0.0070893100000000, -0.0014153200000000, 0.0045116800000000 ] - [ -0.0099567100000000, 0.0003035800000000, 0.0064406200000000 ] - [ -0.0086401400000000, 0.0000000000000000, 0.0047640600000000 ] - [ -0.0099567100000000, -0.0003035800000000, 0.0064406200000000 ] - [ -0.0072485800000000, 0.0014157600000000, -0.0018975700000000 ] - [ -0.0069078700000000, 0.0000000000000000, 0.0053852400000000 ] - [ -0.0072485800000000, -0.0014157600000000, -0.0018975700000000 ]- atom: 97 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0006957300000000, 0.0000000000000000, 0.0004106000000000 ] - [ -0.0006536100000000, 0.0000933100000000, 0.0002871500000000 ] - [ -0.0006536100000000, -0.0000933100000000, 0.0002871500000000 ] - [ -0.0032916000000000, 0.0000000000000000, 0.0002180300000000 ] - [ -0.0007234500000000, 0.0004351000000000, -0.0004269100000000 ] - [ -0.0007234500000000, -0.0004351000000000, -0.0004269100000000 ] - [ 0.0031111500000000, 0.0000000000000000, 0.0011838200000000 ] - [ 0.0002369200000000, 0.0002880600000000, -0.0000426200000000 ] - [ 0.0002369200000000, -0.0002880600000000, -0.0000426200000000 ] - [ 0.0044102200000000, 0.0000000000000000, -0.0042408800000000 ] - [ 0.0044269800000000, -0.0000838800000000, -0.0041866700000000 ] - [ 0.0044269800000000, 0.0000838800000000, -0.0041866700000000 ] - [ 0.0095577600000000, 0.0000000000000000, -0.0036245400000000 ] - [ 0.0095902800000000, -0.0005037700000000, -0.0034913400000000 ] - [ 0.0095902800000000, 0.0005037700000000, -0.0034913400000000 ] - [ 0.0011466400000000, 0.0000000000000000, -0.0088272900000000 ] - [ 0.0011347800000000, -0.0023640000000000, -0.0084090000000000 ] - [ 0.0011347800000000, 0.0023640000000000, -0.0084090000000000 ] - [ -0.0006586700000000, 0.0000054300000000, -0.0028179000000000 ] - [ -0.0006551800000000, 0.0000000000000000, -0.0025806500000000 ] - [ -0.0006586700000000, -0.0000054300000000, -0.0028179000000000 ] - [ 0.0020658900000000, -0.0000198600000000, -0.0002645000000000 ] - [ 0.0020310400000000, 0.0000000000000000, -0.0001478400000000 ] - [ 0.0020658900000000, 0.0000198600000000, -0.0002645000000000 ] - [ -0.0004636700000000, -0.0002678200000000, -0.0048975600000000 ] - [ -0.0003701700000000, 0.0000000000000000, -0.0036368000000000 ] - [ -0.0004636700000000, 0.0002678200000000, -0.0048975600000000 ] - [ 0.0017871900000000, -0.0000269500000000, -0.0005965800000000 ] - [ 0.0018365700000000, 0.0000000000000000, -0.0004580200000000 ] - [ 0.0017871900000000, 0.0000269500000000, -0.0005965800000000 ] - [ -0.0001844200000000, -0.0000748100000000, -0.0026161200000000 ] - [ -0.0001744500000000, 0.0000000000000000, -0.0021570500000000 ] - [ -0.0001844200000000, 0.0000748100000000, -0.0026161200000000 ] - [ 0.0021538800000000, 0.0000413300000000, -0.0006880000000000 ] - [ 0.0021746500000000, 0.0000000000000000, -0.0005418400000000 ] - [ 0.0021538800000000, -0.0000413300000000, -0.0006880000000000 ] - [ 0.0003189500000000, 0.0000050800000000, -0.0031115600000000 ] - [ 0.0003287300000000, 0.0000000000000000, -0.0028040600000000 ] - [ 0.0003189500000000, -0.0000050800000000, -0.0031115600000000 ] - [ -0.0002835500000000, 0.0008407600000000, 0.0003534300000000 ] - [ -0.0003160900000000, 0.0000000000000000, -0.0004386500000000 ] - [ -0.0002835500000000, -0.0008407600000000, 0.0003534300000000 ] - [ 0.0014794200000000, 0.0006508800000000, -0.0000791300000000 ] - [ 0.0021494300000000, 0.0000000000000000, 0.0007325500000000 ] - [ 0.0014794200000000, -0.0006508800000000, -0.0000791300000000 ] - [ -0.0005386800000000, 0.0003161600000000, -0.0035654200000000 ] - [ -0.0004710300000000, 0.0000000000000000, -0.0024858400000000 ] - [ -0.0005386800000000, -0.0003161600000000, -0.0035654200000000 ] - [ 0.0026580700000000, 0.0000434300000000, -0.0001403400000000 ] - [ 0.0026520600000000, 0.0000000000000000, -0.0000074800000000 ] - [ 0.0026580700000000, -0.0000434300000000, -0.0001403400000000 ] - [ 0.0001700200000000, 0.0001898600000000, -0.0027850000000000 ] - [ 0.0001567200000000, 0.0000000000000000, -0.0021500200000000 ] - [ 0.0001700200000000, -0.0001898600000000, -0.0027850000000000 ] - [ 0.0021827000000000, 0.0011367100000000, 0.0043901200000000 ] - [ 0.0033884400000000, 0.0000000000000000, 0.0005138800000000 ] - [ 0.0021827000000000, -0.0011367100000000, 0.0043901200000000 ] - [ 0.0010294100000000, 0.0167016900000000, -0.0102653000000000 ] - [ -0.0002848100000000, 0.0000000000000000, 0.0007342200000000 ] - [ 0.0010294100000000, -0.0167016900000000, -0.0102653000000000 ] - [ 0.0028226000000000, -0.0001602000000000, -0.0007810700000000 ] - [ 0.0019242200000000, 0.0000000000000000, -0.0002118800000000 ] - [ 0.0028226000000000, 0.0001602000000000, -0.0007810700000000 ] - [ 0.0008791100000000, -0.0125969000000000, -0.0099463500000000 ] - [ 0.0002957800000000, 0.0000000000000000, 0.0011019600000000 ] - [ 0.0008791100000000, 0.0125969000000000, -0.0099463500000000 ] - [ -0.0003165500000000, -0.0016879600000000, 0.0048098700000000 ] - [ 0.0018844200000000, 0.0000000000000000, 0.0004881100000000 ] - [ -0.0003165500000000, 0.0016879600000000, 0.0048098700000000 ] - [ 0.0000211500000000, -0.0002545900000000, -0.0001681800000000 ] - [ -0.0000874400000000, 0.0000000000000000, -0.0007310400000000 ] - [ 0.0000211500000000, 0.0002545900000000, -0.0001681800000000 ] - [ 0.0034036100000000, 0.0004470500000000, -0.0004424100000000 ] - [ 0.0028144600000000, 0.0000000000000000, 0.0003191500000000 ] - [ 0.0034036100000000, -0.0004470500000000, -0.0004424100000000 ] - [ 0.0010304100000000, -0.0002897000000000, -0.0003352600000000 ] - [ 0.0019018700000000, 0.0000000000000000, 0.0002676700000000 ] - [ 0.0010304100000000, 0.0002897000000000, -0.0003352600000000 ] - [ 0.0055353300000000, 0.0000000000000000, -0.0040327700000000 ] - [ 0.0055270100000000, 0.0001182400000000, -0.0039499900000000 ] - [ 0.0055270100000000, -0.0001182400000000, -0.0039499900000000 ] - [ 0.0045741800000000, 0.0000000000000000, -0.0048171200000000 ] - [ 0.0046562900000000, 0.0006373000000000, -0.0033075600000000 ] - [ 0.0046562900000000, -0.0006373000000000, -0.0033075600000000 ] - [ 0.0050153700000000, 0.0000000000000000, -0.0032958800000000 ] - [ 0.0050105500000000, -0.0001250900000000, -0.0032375000000000 ] - [ 0.0050105500000000, 0.0001250900000000, -0.0032375000000000 ] - [ 0.0067694600000000, 0.0000000000000000, 0.0012454500000000 ] - [ 0.0066276700000000, 0.0000351500000000, 0.0000782800000000 ] - [ 0.0066276700000000, -0.0000351500000000, 0.0000782800000000 ] - [ 0.0047194500000000, 0.0000000000000000, -0.0050450400000000 ] - [ 0.0047169800000000, 0.0001276300000000, -0.0049754200000000 ] - [ 0.0047169800000000, -0.0001276300000000, -0.0049754200000000 ] - [ 0.0051926000000000, 0.0000000000000000, -0.0058025600000000 ] - [ 0.0050097000000000, 0.0023334000000000, -0.0052707900000000 ] - [ 0.0050097000000000, -0.0023334000000000, -0.0052707900000000 ] - [ 0.0076933100000000, 0.0000000000000000, 0.0508118300000000 ] - [ 0.0071377900000000, -0.0030559700000000, 0.0034539400000000 ] - [ 0.0071377900000000, 0.0030559700000000, 0.0034539400000000 ] - [ 0.0008416100000000, 0.0000000000000000, 0.0010400800000000 ] - [ 0.0007375100000000, 0.0001944400000000, 0.0007926200000000 ] - [ 0.0007375100000000, -0.0001944400000000, 0.0007926200000000 ] - [ -0.0003151200000000, 0.0000000000000000, 0.0008197400000000 ] - [ -0.0003116100000000, -0.0000062900000000, 0.0007545800000000 ] - [ -0.0003116100000000, 0.0000062900000000, 0.0007545800000000 ] - [ -0.0001962500000000, 0.0000000000000000, 0.0008100600000000 ] - [ -0.0001533500000000, -0.0002262400000000, 0.0004391700000000 ] - [ -0.0001533500000000, 0.0002262400000000, 0.0004391700000000 ] - [ -0.0000158100000000, 0.0000000000000000, 0.0008340800000000 ] - [ -0.0000196300000000, -0.0000034900000000, 0.0007654500000000 ] - [ -0.0000196300000000, 0.0000034900000000, 0.0007654500000000 ] - [ -0.0007614000000000, 0.0000000000000000, 0.0010540700000000 ] - [ -0.0008058900000000, -0.0002456500000000, 0.0006733900000000 ] - [ -0.0008058900000000, 0.0002456500000000, 0.0006733900000000 ] - [ 0.0037282100000000, 0.0000000000000000, -0.0004020700000000 ] - [ 0.0008685900000000, -0.0009389600000000, -0.0011943200000000 ] - [ 0.0008685900000000, 0.0009389600000000, -0.0011943200000000 ] - [ -0.0060685200000000, 0.0000000000000000, 0.0002320300000000 ] - [ -0.0015547500000000, -0.0009413400000000, -0.0014861600000000 ] - [ -0.0015547500000000, 0.0009413400000000, -0.0014861600000000 ] - [ -0.0094367600000000, -0.0025966500000000, -0.0224390800000000 ] - [ -0.0092495800000000, 0.0000000000000000, -0.0072015800000000 ] - [ -0.0094367600000000, 0.0025966500000000, -0.0224390800000000 ] - [ -0.0113087000000000, 0.0006253900000000, 0.0052015400000000 ] - [ -0.0111669000000000, 0.0000000000000000, 0.0048952900000000 ] - [ -0.0113087000000000, -0.0006253900000000, 0.0052015400000000 ] - [ -0.0019803000000000, 0.0016614400000000, 0.0177676800000000 ] - [ -0.0034469900000000, 0.0000000000000000, 0.0086611200000000 ] - [ -0.0019803000000000, -0.0016614400000000, 0.0177676800000000 ] - [ -0.0057942700000000, 0.0000741100000000, 0.0067164800000000 ] - [ -0.0058251500000000, 0.0000000000000000, 0.0063328800000000 ] - [ -0.0057942700000000, -0.0000741100000000, 0.0067164800000000 ] - [ -0.0063377900000000, -0.0001098300000000, 0.0082463200000000 ] - [ -0.0063549600000000, 0.0000000000000000, 0.0076930900000000 ] - [ -0.0063377900000000, 0.0001098300000000, 0.0082463200000000 ] - [ -0.0074695100000000, -0.0001058800000000, 0.0066602700000000 ] - [ -0.0074825600000000, 0.0000000000000000, 0.0061568000000000 ] - [ -0.0074695100000000, 0.0001058800000000, 0.0066602700000000 ] - [ -0.0069222700000000, 0.0000939600000000, 0.0063430800000000 ] - [ -0.0068979500000000, 0.0000000000000000, 0.0057272300000000 ] - [ -0.0069222700000000, -0.0000939600000000, 0.0063430800000000 ] - [ -0.0068203200000000, -0.0014383800000000, 0.0044396600000000 ] - [ -0.0069545000000000, 0.0000000000000000, 0.0040929900000000 ] - [ -0.0068203200000000, 0.0014383800000000, 0.0044396600000000 ] - [ -0.0075821000000000, -0.0003203900000000, -0.0014427200000000 ] - [ -0.0088867300000000, 0.0000000000000000, 0.0002416100000000 ] - [ -0.0075821000000000, 0.0003203900000000, -0.0014427200000000 ] - [ -0.0067496200000000, -0.0014455900000000, 0.0122563100000000 ] - [ -0.0070926800000000, 0.0000000000000000, 0.0048854000000000 ] - [ -0.0067496200000000, 0.0014455900000000, 0.0122563100000000 ]- atom: 100 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ 0.0080621900000000, 0.0000000000000000, -0.0002018000000000 ] - [ 0.0006486100000000, 0.0000027700000000, -0.0001532700000000 ] - [ 0.0006486100000000, -0.0000027700000000, -0.0001532700000000 ] - [ 0.0010992400000000, 0.0000000000000000, 0.0000101500000000 ] - [ 0.0003048000000000, 0.0000166200000000, 0.0000539900000000 ] - [ 0.0003048000000000, -0.0000166200000000, 0.0000539900000000 ] - [ -0.0013729300000000, 0.0000000000000000, 0.0001288700000000 ] - [ -0.0005351600000000, -0.0000266800000000, 0.0003389900000000 ] - [ -0.0005351600000000, 0.0000266800000000, 0.0003389900000000 ] - [ 0.0062511000000000, 0.0000000000000000, -0.0070256500000000 ] - [ 0.0050091600000000, -0.0026128700000000, -0.0048350600000000 ] - [ 0.0050091600000000, 0.0026128700000000, -0.0048350600000000 ] - [ 0.0093106700000000, 0.0000000000000000, 0.0013101600000000 ] - [ 0.0101103600000000, -0.0026871400000000, -0.0024222400000000 ] - [ 0.0101103600000000, 0.0026871400000000, -0.0024222400000000 ] - [ -0.0008372800000000, 0.0000000000000000, -0.0129630300000000 ] - [ 0.0012617800000000, 0.0030866900000000, -0.0082022400000000 ] - [ 0.0012617800000000, -0.0030866900000000, -0.0082022400000000 ] - [ -0.0002637000000000, -0.0010587300000000, -0.0042027400000000 ] - [ -0.0005985000000000, 0.0000000000000000, -0.0020045500000000 ] - [ -0.0002637000000000, 0.0010587300000000, -0.0042027400000000 ] - [ -0.0045910200000000, -0.0002085100000000, 0.0000164300000000 ] - [ 0.0007597900000000, 0.0000000000000000, 0.0002369800000000 ] - [ -0.0045910200000000, 0.0002085100000000, 0.0000164300000000 ] - [ 0.0017921400000000, 0.0011692800000000, -0.0024250400000000 ] - [ -0.0000138500000000, 0.0000000000000000, -0.0017587300000000 ] - [ 0.0017921400000000, -0.0011692800000000, -0.0024250400000000 ] - [ 0.0103397200000000, 0.0006164300000000, 0.0008571600000000 ] - [ 0.0030330200000000, 0.0000000000000000, 0.0000698700000000 ] - [ 0.0103397200000000, -0.0006164300000000, 0.0008571600000000 ] - [ 0.0050530300000000, 0.0015849100000000, -0.0013008600000000 ] - [ 0.0003179000000000, 0.0000000000000000, -0.0012190300000000 ] - [ 0.0050530300000000, -0.0015849100000000, -0.0013008600000000 ] - [ 0.0016490200000000, -0.0000049300000000, -0.0001237000000000 ] - [ 0.0019347000000000, 0.0000000000000000, -0.0001183600000000 ] - [ 0.0016490200000000, 0.0000049300000000, -0.0001237000000000 ] - [ -0.0000045500000000, 0.0009517000000000, 0.0015725300000000 ] - [ 0.0002301000000000, 0.0000000000000000, -0.0005458300000000 ] - [ -0.0000045500000000, -0.0009517000000000, 0.0015725300000000 ] - [ -0.0004364900000000, -0.0000375300000000, -0.0016328700000000 ] - [ -0.0004703100000000, 0.0000000000000000, -0.0017703000000000 ] - [ -0.0004364900000000, 0.0000375300000000, -0.0016328700000000 ] - [ 0.0023360000000000, -0.0000010700000000, 0.0005268500000000 ] - [ 0.0023642300000000, 0.0000000000000000, 0.0005311900000000 ] - [ 0.0023360000000000, 0.0000010700000000, 0.0005268500000000 ] - [ -0.0005476400000000, 0.0000296000000000, -0.0008874700000000 ] - [ -0.0005092400000000, 0.0000000000000000, -0.0009931900000000 ] - [ -0.0005476400000000, -0.0000296000000000, -0.0008874700000000 ] - [ 0.0031958100000000, -0.0000060900000000, 0.0004596100000000 ] - [ 0.0029260800000000, 0.0000000000000000, 0.0004809400000000 ] - [ 0.0031958100000000, 0.0000060900000000, 0.0004596100000000 ] - [ 0.0001856500000000, -0.0000363600000000, -0.0018566600000000 ] - [ 0.0001532000000000, 0.0000000000000000, -0.0017084200000000 ] - [ 0.0001856500000000, 0.0000363600000000, -0.0018566600000000 ] - [ 0.0022456800000000, -0.0000002400000000, -0.0003738600000000 ] - [ 0.0025555400000000, 0.0000000000000000, -0.0003604600000000 ] - [ 0.0022456800000000, 0.0000002400000000, -0.0003738600000000 ] - [ -0.0003242000000000, 0.0000415400000000, -0.0018454200000000 ] - [ -0.0002875100000000, 0.0000000000000000, -0.0016589400000000 ] - [ -0.0003242000000000, -0.0000415400000000, -0.0018454200000000 ] - [ -0.0054214900000000, -0.0000706100000000, -0.0001785800000000 ] - [ 0.0001119300000000, 0.0000000000000000, -0.0001849600000000 ] - [ -0.0054214900000000, 0.0000706100000000, -0.0001785800000000 ] - [ -0.0000626000000000, 0.0009266100000000, -0.0038352100000000 ] - [ 0.0003227100000000, 0.0000000000000000, -0.0013182300000000 ] - [ -0.0000626000000000, -0.0009266100000000, -0.0038352100000000 ] - [ 0.0030358800000000, 0.0000000600000000, -0.0002044400000000 ] - [ 0.0027013900000000, 0.0000000000000000, -0.0001826100000000 ] - [ 0.0030358800000000, -0.0000000600000000, -0.0002044400000000 ] - [ -0.0001537500000000, -0.0010245000000000, 0.0012550100000000 ] - [ -0.0001726100000000, 0.0000000000000000, -0.0013387400000000 ] - [ -0.0001537500000000, 0.0010245000000000, 0.0012550100000000 ] - [ 0.0025853500000000, 0.0000003100000000, 0.0001777300000000 ] - [ 0.0025544900000000, 0.0000000000000000, 0.0001798000000000 ] - [ 0.0025853500000000, -0.0000003100000000, 0.0001777300000000 ] - [ 0.0104703100000000, 0.0003520600000000, -0.0001322200000000 ] - [ 0.0037459200000000, 0.0000000000000000, 0.0002667100000000 ] - [ 0.0104703100000000, -0.0003520600000000, -0.0001322200000000 ] - [ 0.0055766400000000, 0.0000000000000000, -0.0037214400000000 ] - [ 0.0055883500000000, -0.0002770100000000, -0.0037350500000000 ] - [ 0.0055883500000000, 0.0002770100000000, -0.0037350500000000 ] - [ 0.0046552600000000, 0.0000000000000000, -0.0034123800000000 ] - [ 0.0046552700000000, -0.0000146100000000, -0.0034090400000000 ] - [ 0.0046552700000000, 0.0000146100000000, -0.0034090400000000 ] - [ 0.0038844000000000, 0.0000000000000000, 0.0026071900000000 ] - [ 0.0046908800000000, 0.0024393400000000, -0.0015220400000000 ] - [ 0.0046908800000000, -0.0024393400000000, -0.0015220400000000 ] - [ 0.0069918300000000, 0.0000000000000000, -0.0002408400000000 ] - [ 0.0069840800000000, -0.0002457100000000, -0.0003633400000000 ] - [ 0.0069840800000000, 0.0002457100000000, -0.0003633400000000 ] - [ 0.0046937100000000, 0.0000000000000000, -0.0040992100000000 ] - [ 0.0046859400000000, 0.0002429000000000, -0.0040748300000000 ] - [ 0.0046859400000000, -0.0002429000000000, -0.0040748300000000 ] - [ 0.0051904300000000, 0.0000000000000000, -0.0040215000000000 ] - [ 0.0051906000000000, 0.0000122100000000, -0.0040203400000000 ] - [ 0.0051906000000000, -0.0000122100000000, -0.0040203400000000 ] - [ 0.0068876200000000, 0.0000000000000000, 0.0039561600000000 ] - [ 0.0068799800000000, 0.0002606200000000, 0.0040597300000000 ] - [ 0.0068799800000000, -0.0002606200000000, 0.0040597300000000 ] - [ -0.0704856800000000, 0.0000000000000000, -0.0005973900000000 ] - [ -0.0031759400000000, -0.0000584000000000, 0.0001438400000000 ] - [ -0.0031759400000000, 0.0000584000000000, 0.0001438400000000 ] - [ 0.0027349300000000, 0.0000000000000000, 0.0003320000000000 ] - [ 0.0005213600000000, 0.0001156200000000, 0.0002360000000000 ] - [ 0.0005213600000000, -0.0001156200000000, 0.0002360000000000 ] - [ -0.0002095200000000, 0.0000000000000000, -0.0001434500000000 ] - [ -0.0002320000000000, 0.0000072400000000, -0.0001477900000000 ] - [ -0.0002320000000000, -0.0000072400000000, -0.0001477900000000 ] - [ -0.0035071600000000, 0.0000000000000000, -0.0000195800000000 ] - [ -0.0008567400000000, -0.0001569400000000, -0.0001078400000000 ] - [ -0.0008567400000000, 0.0001569400000000, -0.0001078400000000 ] - [ -0.0007657600000000, 0.0000000000000000, 0.0000408300000000 ] - [ -0.0007437200000000, 0.0000009800000000, 0.0000355500000000 ] - [ -0.0007437200000000, -0.0000009800000000, 0.0000355500000000 ] - [ 0.0002876800000000, 0.0000000000000000, 0.0000366400000000 ] - [ 0.0002525100000000, -0.0000001300000000, 0.0000364900000000 ] - [ 0.0002525100000000, 0.0000001300000000, 0.0000364900000000 ] - [ -0.0008295900000000, 0.0000000000000000, -0.0001395800000000 ] - [ -0.0007924100000000, -0.0000069500000000, -0.0001437400000000 ] - [ -0.0007924100000000, 0.0000069500000000, -0.0001437400000000 ] - [ -0.0096241400000000, -0.0002062000000000, -0.0012379900000000 ] - [ -0.0095070800000000, 0.0000000000000000, -0.0025768800000000 ] - [ -0.0096241400000000, 0.0002062000000000, -0.0012379900000000 ] - [ -0.0060712300000000, 0.0144730800000000, -0.0100133700000000 ] - [ -0.0111434300000000, 0.0000000000000000, 0.0047641400000000 ] - [ -0.0060712300000000, -0.0144730800000000, -0.0100133700000000 ] - [ 0.0027744600000000, -0.0151267400000000, 0.0241694500000000 ] - [ -0.0033524100000000, 0.0000000000000000, 0.0087834000000000 ] - [ 0.0027744600000000, 0.0151267400000000, 0.0241694500000000 ] - [ 0.0008366900000000, 0.0155720300000000, 0.0195252200000000 ] - [ -0.0057963500000000, 0.0000000000000000, 0.0051730900000000 ] - [ 0.0008366900000000, -0.0155720300000000, 0.0195252200000000 ] - [ -0.0064086100000000, -0.0000767900000000, 0.0042580200000000 ] - [ -0.0063758400000000, 0.0000000000000000, 0.0052717500000000 ] - [ -0.0064086100000000, 0.0000767900000000, 0.0042580200000000 ] - [ -0.0075152000000000, 0.0001113000000000, 0.0064029700000000 ] - [ -0.0075216500000000, 0.0000000000000000, 0.0052952600000000 ] - [ -0.0075152000000000, -0.0001113000000000, 0.0064029700000000 ] - [ -0.0007392700000000, -0.0155144900000000, -0.0113162600000000 ] - [ -0.0066817200000000, 0.0000000000000000, 0.0032133800000000 ] - [ -0.0007392700000000, 0.0155144900000000, -0.0113162600000000 ] - [ -0.0069663800000000, 0.0000097200000000, 0.0045152900000000 ] - [ -0.0069553100000000, 0.0000000000000000, 0.0045012000000000 ] - [ -0.0069663800000000, -0.0000097200000000, 0.0045152900000000 ] - [ -0.0088925700000000, 0.0001702600000000, 0.0008465500000000 ] - [ -0.0087817900000000, 0.0000000000000000, 0.0019677100000000 ] - [ -0.0088925700000000, -0.0001702600000000, 0.0008465500000000 ] - [ -0.0070026300000000, -0.0000070000000000, 0.0052065100000000 ] - [ -0.0070052300000000, 0.0000000000000000, 0.0051868400000000 ] - [ -0.0070026300000000, 0.0000070000000000, 0.0052065100000000 ]- atom: 100 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0091464800000000, 0.0000000000000000, 0.0000727400000000 ] - [ -0.0017194700000000, -0.0000016400000000, 0.0000214600000000 ] - [ -0.0017194700000000, 0.0000016400000000, 0.0000214600000000 ] - [ -0.0013651600000000, 0.0000000000000000, 0.0001054100000000 ] - [ -0.0005699600000000, -0.0000161800000000, 0.0000623400000000 ] - [ -0.0005699600000000, 0.0000161800000000, 0.0000623400000000 ] - [ 0.0010597500000000, 0.0000000000000000, 0.0004993100000000 ] - [ 0.0002237300000000, 0.0000249800000000, 0.0002833100000000 ] - [ 0.0002237300000000, -0.0000249800000000, 0.0002833100000000 ] - [ 0.0029930800000000, 0.0000000000000000, -0.0001855600000000 ] - [ 0.0039693500000000, 0.0026107200000000, -0.0025663000000000 ] - [ 0.0039693500000000, -0.0026107200000000, -0.0025663000000000 ] - [ 0.0101220800000000, 0.0000000000000000, -0.0082930600000000 ] - [ 0.0091655700000000, 0.0026867200000000, -0.0044661600000000 ] - [ 0.0091655700000000, -0.0026867200000000, -0.0044661600000000 ] - [ 0.0034821200000000, 0.0000000000000000, -0.0015053300000000 ] - [ 0.0014940700000000, -0.0030890300000000, -0.0062252700000000 ] - [ 0.0014940700000000, 0.0030890300000000, -0.0062252700000000 ] - [ -0.0010255600000000, 0.0010541400000000, 0.0015943500000000 ] - [ -0.0006941200000000, 0.0000000000000000, -0.0005992900000000 ] - [ -0.0010255600000000, -0.0010541400000000, 0.0015943500000000 ] - [ 0.0085377800000000, 0.0001968900000000, 0.0004866900000000 ] - [ 0.0031761600000000, 0.0000000000000000, 0.0002762800000000 ] - [ 0.0085377800000000, -0.0001968900000000, 0.0004866900000000 ] - [ -0.0026489300000000, -0.0009666000000000, -0.0015426900000000 ] - [ -0.0006229600000000, 0.0000000000000000, -0.0021982800000000 ] - [ -0.0026489300000000, 0.0009666000000000, -0.0015426900000000 ] - [ -0.0064719000000000, -0.0005865900000000, -0.0007210100000000 ] - [ 0.0008637400000000, 0.0000000000000000, 0.0000395500000000 ] - [ -0.0064719000000000, 0.0005865900000000, -0.0007210100000000 ] - [ -0.0048783100000000, -0.0013021400000000, -0.0013629400000000 ] - [ -0.0004177400000000, 0.0000000000000000, -0.0014346200000000 ] - [ -0.0048783100000000, 0.0013021400000000, -0.0013629400000000 ] - [ 0.0029083800000000, 0.0000050700000000, -0.0000596500000000 ] - [ 0.0026244200000000, 0.0000000000000000, -0.0000657800000000 ] - [ 0.0029083800000000, -0.0000050700000000, -0.0000596500000000 ] - [ 0.0006871900000000, -0.0009573900000000, -0.0040396900000000 ] - [ 0.0004563900000000, 0.0000000000000000, -0.0019216700000000 ] - [ 0.0006871900000000, 0.0009573900000000, -0.0040396900000000 ] - [ -0.0005738000000000, 0.0000376800000000, -0.0022580900000000 ] - [ -0.0005401000000000, 0.0000000000000000, -0.0021211100000000 ] - [ -0.0005738000000000, -0.0000376800000000, -0.0022580900000000 ] - [ 0.0026277000000000, 0.0000011700000000, 0.0005519900000000 ] - [ 0.0026001000000000, 0.0000000000000000, 0.0005477200000000 ] - [ 0.0026277000000000, -0.0000011700000000, 0.0005519900000000 ] - [ -0.0004079900000000, -0.0000298800000000, -0.0014254400000000 ] - [ -0.0004460200000000, 0.0000000000000000, -0.0013211700000000 ] - [ -0.0004079900000000, 0.0000298800000000, -0.0014254400000000 ] - [ 0.0020165500000000, 0.0000061600000000, 0.0004251700000000 ] - [ 0.0022834400000000, 0.0000000000000000, 0.0004041900000000 ] - [ 0.0020165500000000, -0.0000061600000000, 0.0004251700000000 ] - [ 0.0000783600000000, 0.0000361500000000, -0.0011637800000000 ] - [ 0.0001105100000000, 0.0000000000000000, -0.0013108400000000 ] - [ 0.0000783600000000, -0.0000361500000000, -0.0011637800000000 ] - [ 0.0036259900000000, 0.0000003900000000, -0.0003266700000000 ] - [ 0.0033163800000000, 0.0000000000000000, -0.0003398800000000 ] - [ 0.0036259900000000, -0.0000003900000000, -0.0003266700000000 ] - [ -0.0002392900000000, -0.0000415200000000, -0.0009848200000000 ] - [ -0.0002767600000000, 0.0000000000000000, -0.0011702300000000 ] - [ -0.0002392900000000, 0.0000415200000000, -0.0009848200000000 ] - [ 0.0082577000000000, 0.0000581800000000, -0.0001755600000000 ] - [ 0.0027191900000000, 0.0000000000000000, -0.0001798600000000 ] - [ 0.0082577000000000, -0.0000581800000000, -0.0001755600000000 ] - [ 0.0008975900000000, -0.0009300400000000, 0.0029315900000000 ] - [ 0.0005145100000000, 0.0000000000000000, 0.0004100100000000 ] - [ 0.0008975900000000, 0.0009300400000000, 0.0029315900000000 ] - [ 0.0016610000000000, 0.0000000200000000, -0.0001274100000000 ] - [ 0.0019951700000000, 0.0000000000000000, -0.0001488400000000 ] - [ 0.0016610000000000, -0.0000000200000000, -0.0001274100000000 ] - [ -0.0000943200000000, 0.0010228500000000, -0.0053764700000000 ] - [ -0.0000777700000000, 0.0000000000000000, -0.0027841900000000 ] - [ -0.0000943200000000, -0.0010228500000000, -0.0053764700000000 ] - [ 0.0022763100000000, -0.0000002600000000, 0.0001939600000000 ] - [ 0.0023060100000000, 0.0000000000000000, 0.0001921100000000 ] - [ 0.0022763100000000, 0.0000002600000000, 0.0001939600000000 ] - [ -0.0056563700000000, -0.0003287100000000, 0.0006360000000000 ] - [ 0.0010808700000000, 0.0000000000000000, 0.0002565100000000 ] - [ -0.0056563700000000, 0.0003287100000000, 0.0006360000000000 ] - [ 0.0054775100000000, 0.0000000000000000, -0.0032144100000000 ] - [ 0.0054664100000000, 0.0002762400000000, -0.0032004200000000 ] - [ 0.0054664100000000, -0.0002762400000000, -0.0032004200000000 ] - [ 0.0046444300000000, 0.0000000000000000, -0.0034010600000000 ] - [ 0.0046446900000000, 0.0000147100000000, -0.0034044100000000 ] - [ 0.0046446900000000, -0.0000147100000000, -0.0034044100000000 ] - [ 0.0058070100000000, 0.0000000000000000, -0.0076514900000000 ] - [ 0.0051989100000000, -0.0024376900000000, -0.0036411100000000 ] - [ 0.0051989100000000, 0.0024376900000000, -0.0036411100000000 ] - [ 0.0068540500000000, 0.0000000000000000, -0.0011034200000000 ] - [ 0.0068620100000000, 0.0002454500000000, -0.0009811000000000 ] - [ 0.0068620100000000, -0.0002454500000000, -0.0009811000000000 ] - [ 0.0047457300000000, 0.0000000000000000, -0.0045689100000000 ] - [ 0.0047528000000000, -0.0002432700000000, -0.0045939100000000 ] - [ 0.0047528000000000, 0.0002432700000000, -0.0045939100000000 ] - [ 0.0052140100000000, 0.0000000000000000, -0.0039774700000000 ] - [ 0.0052137600000000, -0.0000115800000000, -0.0039785800000000 ] - [ 0.0052137600000000, 0.0000115800000000, -0.0039785800000000 ] - [ 0.0068663400000000, 0.0000000000000000, 0.0047780800000000 ] - [ 0.0068739100000000, -0.0002606000000000, 0.0046743600000000 ] - [ 0.0068739100000000, 0.0002606000000000, 0.0046743600000000 ] - [ 0.0711545800000000, 0.0000000000000000, 0.0006302200000000 ] - [ 0.0040385100000000, 0.0000320200000000, 0.0000734700000000 ] - [ 0.0040385100000000, -0.0000320200000000, 0.0000734700000000 ] - [ -0.0033420100000000, 0.0000000000000000, -0.0001455300000000 ] - [ -0.0011256700000000, -0.0001140000000000, -0.0000576300000000 ] - [ -0.0011256700000000, 0.0001140000000000, -0.0000576300000000 ] - [ -0.0005816700000000, 0.0000000000000000, -0.0001940700000000 ] - [ -0.0005600900000000, -0.0000077200000000, -0.0001901500000000 ] - [ -0.0005600900000000, 0.0000077200000000, -0.0001901500000000 ] - [ 0.0034329400000000, 0.0000000000000000, 0.0000795800000000 ] - [ 0.0007834200000000, 0.0001522300000000, 0.0002007500000000 ] - [ 0.0007834200000000, -0.0001522300000000, 0.0002007500000000 ] - [ -0.0003974800000000, 0.0000000000000000, 0.0000387000000000 ] - [ -0.0004190100000000, -0.0000006800000000, 0.0000436900000000 ] - [ -0.0004190100000000, 0.0000006800000000, 0.0000436900000000 ] - [ -0.0001076400000000, 0.0000000000000000, 0.0000214200000000 ] - [ -0.0000722300000000, 0.0000001700000000, 0.0000216000000000 ] - [ -0.0000722300000000, -0.0000001700000000, 0.0000216000000000 ] - [ -0.0003836800000000, 0.0000000000000000, -0.0001846100000000 ] - [ -0.0004220200000000, 0.0000069400000000, -0.0001805100000000 ] - [ -0.0004220200000000, -0.0000069400000000, -0.0001805100000000 ] - [ -0.0092483000000000, 0.0002068800000000, -0.0053802400000000 ] - [ -0.0093661000000000, 0.0000000000000000, -0.0040407000000000 ] - [ -0.0092483000000000, -0.0002068800000000, -0.0053802400000000 ] - [ -0.0163231400000000, -0.0143960300000000, 0.0203059800000000 ] - [ -0.0112196200000000, 0.0000000000000000, 0.0056056500000000 ] - [ -0.0163231400000000, 0.0143960300000000, 0.0203059800000000 ] - [ -0.0096696900000000, 0.0152252900000000, -0.0072804600000000 ] - [ -0.0035730700000000, 0.0000000000000000, 0.0082012500000000 ] - [ -0.0096696900000000, -0.0152252900000000, -0.0072804600000000 ] - [ -0.0127865000000000, -0.0154530700000000, -0.0095983000000000 ] - [ -0.0061381400000000, 0.0000000000000000, 0.0046604300000000 ] - [ -0.0127865000000000, 0.0154530700000000, -0.0095983000000000 ] - [ -0.0063830100000000, 0.0000755000000000, 0.0072739000000000 ] - [ -0.0064110200000000, 0.0000000000000000, 0.0062541000000000 ] - [ -0.0063830100000000, -0.0000755000000000, 0.0072739000000000 ] - [ -0.0075289200000000, -0.0001082200000000, 0.0031463500000000 ] - [ -0.0075247700000000, 0.0000000000000000, 0.0042549400000000 ] - [ -0.0075289200000000, 0.0001082200000000, 0.0031463500000000 ] - [ -0.0127348900000000, 0.0156383600000000, 0.0187022400000000 ] - [ -0.0068324200000000, 0.0000000000000000, 0.0040648400000000 ] - [ -0.0127348900000000, -0.0156383600000000, 0.0187022400000000 ] - [ -0.0069445200000000, -0.0000111100000000, 0.0044475600000000 ] - [ -0.0069556300000000, 0.0000000000000000, 0.0044588000000000 ] - [ -0.0069445200000000, 0.0000111100000000, 0.0044475600000000 ] - [ -0.0086319400000000, -0.0001694200000000, 0.0041597300000000 ] - [ -0.0087420600000000, 0.0000000000000000, 0.0030400100000000 ] - [ -0.0086319400000000, 0.0001694200000000, 0.0041597300000000 ] - [ -0.0069980700000000, 0.0000066900000000, 0.0050971400000000 ] - [ -0.0069937000000000, 0.0000000000000000, 0.0051198300000000 ] - [ -0.0069980700000000, -0.0000066900000000, 0.0050971400000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005331100000000, -0.0031205000000000, -0.0000658300000000 ] - [ -0.0005894900000000, 0.0013816900000000, -0.0000080200000000 ] - [ -0.0004813900000000, 0.0013836100000000, -0.0001238600000000 ] - [ -0.0001334200000000, -0.0009264700000000, 0.0000604500000000 ] - [ -0.0001369400000000, 0.0004681500000000, -0.0002812800000000 ] - [ -0.0001292900000000, 0.0004684800000000, 0.0003960100000000 ] - [ -0.0001550700000000, -0.0015357100000000, 0.0003142300000000 ] - [ -0.0000769500000000, 0.0007773800000000, -0.0003136300000000 ] - [ -0.0002324100000000, 0.0007766100000000, 0.0009305600000000 ] - [ 0.0044935200000000, 0.0126085700000000, -0.0036948100000000 ] - [ 0.0036972800000000, -0.0041834700000000, -0.0048284400000000 ] - [ 0.0052687100000000, -0.0041923500000000, -0.0025765100000000 ] - [ 0.0096450700000000, 0.0122090600000000, -0.0034495000000000 ] - [ 0.0088614400000000, -0.0044070900000000, -0.0023681800000000 ] - [ 0.0104029700000000, -0.0044155200000000, -0.0045150400000000 ] - [ 0.0013741600000000, 0.0129101700000000, -0.0072216900000000 ] - [ 0.0020131700000000, -0.0050528000000000, -0.0062090700000000 ] - [ 0.0007521200000000, -0.0050618000000000, -0.0082166800000000 ] - [ -0.0012253400000000, 0.0006822600000000, -0.0045758700000000 ] - [ -0.0006467200000000, -0.0010990500000000, -0.0013033800000000 ] - [ -0.0000716500000000, 0.0006753500000000, 0.0019711900000000 ] - [ 0.0015943400000000, 0.0008946700000000, -0.0017331300000000 ] - [ 0.0019688100000000, -0.0014616700000000, 0.0002564700000000 ] - [ 0.0023495400000000, 0.0008872500000000, 0.0022426900000000 ] - [ 0.0003537600000000, 0.0039942000000000, -0.0009084500000000 ] - [ -0.0003153400000000, -0.0021157700000000, -0.0019775200000000 ] - [ -0.0012519900000000, 0.0036778600000000, -0.0030516800000000 ] - [ 0.0046298200000000, -0.0010306500000000, -0.0057513500000000 ] - [ 0.0019483000000000, -0.0019687400000000, 0.0000521700000000 ] - [ -0.0007302500000000, -0.0011752200000000, 0.0059243100000000 ] - [ 0.0015795600000000, 0.0076062100000000, -0.0021401900000000 ] - [ -0.0000542100000000, -0.0021697400000000, -0.0013270400000000 ] - [ -0.0012909200000000, 0.0071541900000000, -0.0005351100000000 ] - [ 0.0022981100000000, 0.0001789100000000, -0.0006724800000000 ] - [ 0.0022794600000000, -0.0003698000000000, -0.0000922000000000 ] - [ 0.0022604600000000, 0.0001781300000000, 0.0004881800000000 ] - [ 0.0012163400000000, 0.0006820500000000, -0.0052429700000000 ] - [ 0.0003436000000000, -0.0011030700000000, -0.0012356000000000 ] - [ -0.0005236700000000, 0.0006762600000000, 0.0027728900000000 ] - [ -0.0004584000000000, 0.0001180800000000, -0.0013602700000000 ] - [ -0.0005053400000000, -0.0002391100000000, -0.0019452300000000 ] - [ -0.0005523600000000, 0.0001176300000000, -0.0025299000000000 ] - [ 0.0024724300000000, 0.0000688800000000, 0.0005508300000000 ] - [ 0.0024820400000000, -0.0001381800000000, 0.0005396200000000 ] - [ 0.0024909100000000, 0.0000687700000000, 0.0005282700000000 ] - [ -0.0004448900000000, 0.0001159900000000, -0.0017320500000000 ] - [ -0.0004776900000000, -0.0002339600000000, -0.0011570300000000 ] - [ -0.0005109700000000, 0.0001158100000000, -0.0005813900000000 ] - [ 0.0024724000000000, 0.0002598200000000, -0.0000501500000000 ] - [ 0.0026051400000000, -0.0005434100000000, 0.0004419500000000 ] - [ 0.0027394500000000, 0.0002592800000000, 0.0009338500000000 ] - [ 0.0001462100000000, 0.0001122800000000, -0.0020782600000000 ] - [ 0.0001318500000000, -0.0002259500000000, -0.0015095200000000 ] - [ 0.0001176700000000, 0.0001119800000000, -0.0009417600000000 ] - [ 0.0029925200000000, 0.0001243900000000, 0.0002711600000000 ] - [ 0.0029358700000000, -0.0002593500000000, -0.0003504100000000 ] - [ 0.0028790700000000, 0.0001240500000000, -0.0009718500000000 ] - [ -0.0002714500000000, 0.0001163100000000, -0.0007088600000000 ] - [ -0.0002820700000000, -0.0002374000000000, -0.0014144100000000 ] - [ -0.0002919100000000, 0.0001159500000000, -0.0021209900000000 ] - [ 0.0015873100000000, 0.0007628500000000, 0.0017175900000000 ] - [ 0.0014156900000000, -0.0013196600000000, -0.0001817400000000 ] - [ 0.0012471900000000, 0.0007575100000000, -0.0020770100000000 ] - [ 0.0011651200000000, 0.0005107800000000, 0.0037135900000000 ] - [ 0.0004185800000000, -0.0008414000000000, -0.0004531600000000 ] - [ -0.0003243200000000, 0.0005060400000000, -0.0046188700000000 ] - [ 0.0023310100000000, 0.0001574100000000, 0.0005018300000000 ] - [ 0.0023491500000000, -0.0003040400000000, -0.0001655800000000 ] - [ 0.0023675100000000, 0.0001567800000000, -0.0008325600000000 ] - [ -0.0007502200000000, 0.0005784100000000, 0.0020319400000000 ] - [ -0.0001251300000000, -0.0008870200000000, -0.0020603800000000 ] - [ 0.0004969500000000, 0.0005720900000000, -0.0061535900000000 ] - [ 0.0024210600000000, 0.0000659700000000, 0.0002078700000000 ] - [ 0.0024302100000000, -0.0001312200000000, 0.0001861200000000 ] - [ 0.0024407000000000, 0.0000658800000000, 0.0001640500000000 ] - [ 0.0033859700000000, -0.0019749000000000, 0.0064432800000000 ] - [ 0.0024140600000000, -0.0015885900000000, 0.0002629900000000 ] - [ 0.0014448400000000, -0.0020227800000000, -0.0058968700000000 ] - [ 0.0055271200000000, 0.0013742200000000, -0.0034667400000000 ] - [ 0.0054589900000000, -0.0006819800000000, -0.0037260100000000 ] - [ 0.0055950500000000, -0.0006833400000000, -0.0032086100000000 ] - [ 0.0046499000000000, 0.0004698000000000, -0.0034064700000000 ] - [ 0.0046449200000000, -0.0002364200000000, -0.0034019600000000 ] - [ 0.0046551000000000, -0.0002365400000000, -0.0034111000000000 ] - [ 0.0049420500000000, 0.0129291400000000, -0.0025678700000000 ] - [ 0.0056984000000000, -0.0048084500000000, -0.0036159100000000 ] - [ 0.0042021600000000, -0.0048178200000000, -0.0015488100000000 ] - [ 0.0069228800000000, 0.0014800600000000, -0.0006728900000000 ] - [ 0.0068961100000000, -0.0007339900000000, -0.0004503800000000 ] - [ 0.0069495800000000, -0.0007351500000000, -0.0008945900000000 ] - [ 0.0047196600000000, 0.0014971500000000, -0.0043329600000000 ] - [ 0.0047342900000000, -0.0007464700000000, -0.0046075900000000 ] - [ 0.0047048500000000, -0.0007477600000000, -0.0040606000000000 ] - [ 0.0052020600000000, 0.0004859100000000, -0.0039991800000000 ] - [ 0.0051942400000000, -0.0002438900000000, -0.0039904700000000 ] - [ 0.0052097200000000, -0.0002446500000000, -0.0040079000000000 ] - [ 0.0068770300000000, 0.0015553600000000, 0.0043663100000000 ] - [ 0.0068719300000000, -0.0007695400000000, 0.0045620700000000 ] - [ 0.0068821400000000, -0.0007711000000000, 0.0041710900000000 ] - [ 0.0003175100000000, -0.0761181100000000, 0.0000274600000000 ] - [ 0.0004769100000000, 0.0104010600000000, 0.0002960400000000 ] - [ 0.0003865500000000, 0.0102689700000000, -0.0000765400000000 ] - [ -0.0003034800000000, -0.0019616400000000, 0.0000843500000000 ] - [ -0.0003680800000000, 0.0009632600000000, 0.0008611200000000 ] - [ -0.0002360800000000, 0.0009639800000000, -0.0006830400000000 ] - [ -0.0003956000000000, -0.0004506700000000, -0.0001691400000000 ] - [ -0.0003976000000000, 0.0002249600000000, -0.0000259000000000 ] - [ -0.0003944300000000, 0.0002255000000000, -0.0003122100000000 ] - [ -0.0000347200000000, -0.0040874500000000, 0.0000278500000000 ] - [ 0.0001156100000000, 0.0017936400000000, 0.0015907700000000 ] - [ -0.0001872900000000, 0.0017926900000000, -0.0014899100000000 ] - [ -0.0005814900000000, -0.0004507200000000, 0.0000396100000000 ] - [ -0.0005798500000000, 0.0002258600000000, 0.0001912800000000 ] - [ -0.0005826100000000, 0.0002255200000000, -0.0001118400000000 ] - [ 0.0000899900000000, -0.0004592500000000, 0.0000287600000000 ] - [ 0.0000830700000000, 0.0002301500000000, -0.0001052900000000 ] - [ 0.0000971000000000, 0.0002302900000000, 0.0001625800000000 ] - [ -0.0006064000000000, -0.0004717200000000, -0.0001618200000000 ] - [ -0.0005992900000000, 0.0002371300000000, -0.0002948300000000 ] - [ -0.0006147100000000, 0.0002371300000000, -0.0000290800000000 ] - [ -0.0092851500000000, -0.0006727400000000, -0.0061418100000000 ] - [ -0.0094367400000000, 0.0013567600000000, -0.0033097700000000 ] - [ -0.0095889800000000, -0.0006715700000000, -0.0004753600000000 ] - [ 0.0003603400000000, -0.0002531300000000, -0.0111634500000000 ] - [ -0.0111796500000000, 0.0071714600000000, 0.0051823200000000 ] - [ -0.0226439100000000, -0.0002006000000000, 0.0214534000000000 ] - [ -0.0169953500000000, -0.0002115000000000, -0.0080771300000000 ] - [ -0.0034650000000000, 0.0079820700000000, 0.0084892500000000 ] - [ 0.0099763000000000, -0.0001695400000000, 0.0249795300000000 ] - [ 0.0065210700000000, 0.0011649500000000, 0.0212540500000000 ] - [ -0.0059662000000000, 0.0061099400000000, 0.0049201200000000 ] - [ -0.0183639100000000, 0.0012029600000000, -0.0113279800000000 ] - [ -0.0062528100000000, -0.0006267500000000, 0.0082270300000000 ] - [ -0.0063941300000000, 0.0012566000000000, 0.0057636800000000 ] - [ -0.0065383800000000, -0.0006237800000000, 0.0033031200000000 ] - [ -0.0074933200000000, -0.0005919000000000, 0.0068403200000000 ] - [ -0.0075232300000000, 0.0011946600000000, 0.0047759200000000 ] - [ -0.0075512200000000, -0.0005925500000000, 0.0027060700000000 ] - [ -0.0219835000000000, 0.0015193000000000, 0.0192410400000000 ] - [ -0.0067595500000000, 0.0068366900000000, 0.0036418400000000 ] - [ 0.0083537500000000, 0.0015427300000000, -0.0118664700000000 ] - [ -0.0069524700000000, -0.0001912100000000, 0.0044957300000000 ] - [ -0.0069552200000000, 0.0003890500000000, 0.0044796000000000 ] - [ -0.0069576700000000, -0.0001896000000000, 0.0044661000000000 ] - [ -0.0088825300000000, -0.0005906100000000, 0.0001008300000000 ] - [ -0.0087619600000000, 0.0011885300000000, 0.0025030500000000 ] - [ -0.0086411500000000, -0.0005899900000000, 0.0049066200000000 ] - [ -0.0070182800000000, -0.0001950400000000, 0.0051462500000000 ] - [ -0.0069998900000000, 0.0003966600000000, 0.0051538900000000 ] - [ -0.0069830800000000, -0.0001945900000000, 0.0051597700000000 ]- atom: 100 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005288300000000, 0.0000000000000000, -0.0035010900000000 ] - [ -0.0005379900000000, -0.0001054700000000, -0.0014902800000000 ] - [ -0.0005379900000000, 0.0001054700000000, -0.0014902800000000 ] - [ -0.0001885900000000, 0.0000000000000000, 0.0011799500000000 ] - [ -0.0001367200000000, -0.0003534400000000, 0.0003624600000000 ] - [ -0.0001367200000000, 0.0003534400000000, 0.0003624600000000 ] - [ -0.0003921100000000, 0.0000000000000000, 0.0034728600000000 ] - [ -0.0002327400000000, -0.0006789100000000, 0.0009546500000000 ] - [ -0.0002327400000000, 0.0006789100000000, 0.0009546500000000 ] - [ 0.0033119600000000, 0.0000000000000000, 0.0003553000000000 ] - [ 0.0041472700000000, -0.0022113100000000, -0.0025958400000000 ] - [ 0.0041472700000000, 0.0022113100000000, -0.0025958400000000 ] - [ 0.0130236900000000, 0.0000000000000000, -0.0027573600000000 ] - [ 0.0099692300000000, 0.0033100700000000, -0.0021564300000000 ] - [ 0.0099692300000000, -0.0033100700000000, -0.0021564300000000 ] - [ -0.0025415500000000, 0.0000000000000000, -0.0075370100000000 ] - [ 0.0008621400000000, 0.0036081100000000, -0.0058840500000000 ] - [ 0.0008621400000000, -0.0036081100000000, -0.0058840500000000 ] - [ -0.0013603100000000, -0.0010568800000000, -0.0030720300000000 ] - [ -0.0007635500000000, 0.0000000000000000, -0.0013034500000000 ] - [ -0.0013603100000000, 0.0010568800000000, -0.0030720300000000 ] - [ 0.0020711400000000, -0.0018555500000000, 0.0013263100000000 ] - [ 0.0021787500000000, 0.0000000000000000, 0.0008381400000000 ] - [ 0.0020711400000000, 0.0018555500000000, 0.0013263100000000 ] - [ -0.0002646300000000, 0.0001196800000000, 0.0120395900000000 ] - [ -0.0002370300000000, 0.0000000000000000, 0.0023707000000000 ] - [ -0.0002646300000000, -0.0001196800000000, 0.0120395900000000 ] - [ 0.0045007600000000, -0.0053142800000000, 0.0007777500000000 ] - [ 0.0017424600000000, 0.0000000000000000, 0.0009594800000000 ] - [ 0.0045007600000000, 0.0053142800000000, 0.0007777500000000 ] - [ 0.0002209900000000, -0.0000459000000000, 0.0118373200000000 ] - [ -0.0000232300000000, 0.0000000000000000, 0.0026654800000000 ] - [ 0.0002209900000000, 0.0000459000000000, 0.0118373200000000 ] - [ 0.0023073300000000, -0.0002153500000000, -0.0010180900000000 ] - [ 0.0022905500000000, 0.0000000000000000, -0.0005511000000000 ] - [ 0.0023073300000000, 0.0002153500000000, -0.0010180900000000 ] - [ 0.0009486600000000, -0.0009391200000000, -0.0037253900000000 ] - [ 0.0003213100000000, 0.0000000000000000, -0.0013180100000000 ] - [ 0.0009486600000000, 0.0009391200000000, -0.0037253900000000 ] - [ -0.0005191700000000, 0.0000810200000000, -0.0043519200000000 ] - [ -0.0005043500000000, 0.0000000000000000, -0.0037734900000000 ] - [ -0.0005191700000000, -0.0000810200000000, -0.0043519200000000 ] - [ 0.0024698600000000, 0.0000044900000000, -0.0002869100000000 ] - [ 0.0024789900000000, 0.0000000000000000, -0.0001445700000000 ] - [ 0.0024698600000000, -0.0000044900000000, -0.0002869100000000 ] - [ -0.0004945700000000, -0.0000886300000000, -0.0035923000000000 ] - [ -0.0004954000000000, 0.0000000000000000, -0.0029878800000000 ] - [ -0.0004945700000000, 0.0000886300000000, -0.0035923000000000 ] - [ 0.0025313300000000, -0.0003412900000000, -0.0005919400000000 ] - [ 0.0026051600000000, 0.0000000000000000, -0.0001561800000000 ] - [ 0.0025313300000000, 0.0003412900000000, -0.0005919400000000 ] - [ 0.0000890300000000, -0.0000898600000000, -0.0038814000000000 ] - [ 0.0000973400000000, 0.0000000000000000, -0.0033173500000000 ] - [ 0.0000890300000000, 0.0000898600000000, -0.0038814000000000 ] - [ 0.0028700200000000, 0.0001249600000000, -0.0013061300000000 ] - [ 0.0029174600000000, 0.0000000000000000, -0.0008150000000000 ] - [ 0.0028700200000000, -0.0001249600000000, -0.0013061300000000 ] - [ -0.0002721600000000, 0.0000850500000000, -0.0039344500000000 ] - [ -0.0002754500000000, 0.0000000000000000, -0.0032350700000000 ] - [ -0.0002721600000000, -0.0000850500000000, -0.0039344500000000 ] - [ 0.0016609200000000, 0.0017980100000000, 0.0015077500000000 ] - [ 0.0014037700000000, 0.0000000000000000, 0.0004716000000000 ] - [ 0.0016609200000000, -0.0017980100000000, 0.0015077500000000 ] - [ 0.0001520200000000, 0.0007718800000000, -0.0033765400000000 ] - [ 0.0005380100000000, 0.0000000000000000, -0.0008738700000000 ] - [ 0.0001520200000000, -0.0007718800000000, -0.0033765400000000 ] - [ 0.0023096100000000, 0.0001689100000000, -0.0011572400000000 ] - [ 0.0023339600000000, 0.0000000000000000, -0.0005907400000000 ] - [ 0.0023096100000000, -0.0001689100000000, -0.0011572400000000 ] - [ 0.0004181800000000, 0.0009556100000000, -0.0046742700000000 ] - [ -0.0001215900000000, 0.0000000000000000, -0.0023665300000000 ] - [ 0.0004181800000000, -0.0009556100000000, -0.0046742700000000 ] - [ 0.0023641200000000, -0.0000037400000000, -0.0006528700000000 ] - [ 0.0023722800000000, 0.0000000000000000, -0.0005000100000000 ] - [ 0.0023641200000000, 0.0000037400000000, -0.0006528700000000 ] - [ 0.0008961100000000, 0.0064496000000000, -0.0017871400000000 ] - [ 0.0024707400000000, 0.0000000000000000, 0.0009494300000000 ] - [ 0.0008961100000000, -0.0064496000000000, -0.0017871400000000 ] - [ 0.0053242700000000, 0.0000000000000000, -0.0046091600000000 ] - [ 0.0054753400000000, -0.0006165300000000, -0.0041615600000000 ] - [ 0.0054753400000000, 0.0006165300000000, -0.0041615600000000 ] - [ 0.0046553900000000, 0.0000000000000000, -0.0042624900000000 ] - [ 0.0046537200000000, -0.0000067200000000, -0.0041843300000000 ] - [ 0.0046537200000000, 0.0000067200000000, -0.0041843300000000 ] - [ 0.0078076600000000, 0.0000000000000000, -0.0010017500000000 ] - [ 0.0055892900000000, -0.0030352200000000, -0.0013939300000000 ] - [ 0.0055892900000000, 0.0030352200000000, -0.0013939300000000 ] - [ 0.0069435600000000, 0.0000000000000000, -0.0017065600000000 ] - [ 0.0069152700000000, 0.0006238300000000, -0.0014086300000000 ] - [ 0.0069152700000000, -0.0006238300000000, -0.0014086300000000 ] - [ 0.0048247800000000, 0.0000000000000000, -0.0054647000000000 ] - [ 0.0047853300000000, -0.0006594900000000, -0.0050428300000000 ] - [ 0.0047853300000000, 0.0006594900000000, -0.0050428300000000 ] - [ 0.0051939500000000, 0.0000000000000000, -0.0048468200000000 ] - [ 0.0051959100000000, -0.0000037200000000, -0.0047662000000000 ] - [ 0.0051959100000000, 0.0000037200000000, -0.0047662000000000 ] - [ 0.0068787200000000, 0.0000000000000000, 0.0034352200000000 ] - [ 0.0068698600000000, 0.0006651700000000, 0.0036832800000000 ] - [ 0.0068698600000000, -0.0006651700000000, 0.0036832800000000 ] - [ -0.0001804700000000, 0.0000000000000000, -0.0521032700000000 ] - [ 0.0004708800000000, -0.0002006700000000, -0.0040016400000000 ] - [ 0.0004708800000000, 0.0002006700000000, -0.0040016400000000 ] - [ -0.0004646200000000, 0.0000000000000000, 0.0021131700000000 ] - [ -0.0004089500000000, 0.0006431400000000, 0.0004249000000000 ] - [ -0.0004089500000000, -0.0006431400000000, 0.0004249000000000 ] - [ -0.0004106700000000, 0.0000000000000000, 0.0009878000000000 ] - [ -0.0004139500000000, 0.0001236000000000, 0.0007757900000000 ] - [ -0.0004139500000000, -0.0001236000000000, 0.0007757900000000 ] - [ 0.0003221500000000, 0.0000000000000000, 0.0115186800000000 ] - [ 0.0001423900000000, 0.0013747600000000, 0.0010642300000000 ] - [ 0.0001423900000000, -0.0013747600000000, 0.0010642300000000 ] - [ -0.0005542500000000, 0.0000000000000000, 0.0012597900000000 ] - [ -0.0005532900000000, 0.0001247300000000, 0.0010374700000000 ] - [ -0.0005532900000000, -0.0001247300000000, 0.0010374700000000 ] - [ 0.0000956300000000, 0.0000000000000000, 0.0012253700000000 ] - [ 0.0000892700000000, -0.0001252800000000, 0.0010447600000000 ] - [ 0.0000892700000000, 0.0001252800000000, 0.0010447600000000 ] - [ -0.0006119700000000, 0.0000000000000000, 0.0009707500000000 ] - [ -0.0006064600000000, -0.0001301900000000, 0.0007917500000000 ] - [ -0.0006064600000000, 0.0001301900000000, 0.0007917500000000 ] - [ -0.0096154200000000, -0.0006587500000000, 0.0011162200000000 ] - [ -0.0095044000000000, 0.0000000000000000, -0.0014133300000000 ] - [ -0.0096154200000000, 0.0006587500000000, 0.0011162200000000 ] - [ -0.0223952500000000, -0.0159408700000000, 0.0043078900000000 ] - [ -0.0109860900000000, 0.0000000000000000, 0.0023408400000000 ] - [ -0.0223952500000000, 0.0159408700000000, 0.0043078900000000 ] - [ 0.0092881500000000, -0.0157207200000000, 0.0067334600000000 ] - [ -0.0038438700000000, 0.0000000000000000, 0.0054556100000000 ] - [ 0.0092881500000000, 0.0157207200000000, 0.0067334600000000 ] - [ 0.0033827900000000, 0.0138284900000000, 0.0016766600000000 ] - [ -0.0063387200000000, 0.0000000000000000, 0.0021016400000000 ] - [ 0.0033827900000000, -0.0138284900000000, 0.0016766600000000 ] - [ -0.0064103200000000, 0.0006642600000000, 0.0092663600000000 ] - [ -0.0064953400000000, 0.0000000000000000, 0.0071866400000000 ] - [ -0.0064103200000000, -0.0006642600000000, 0.0092663600000000 ] - [ -0.0073415100000000, 0.0006649400000000, 0.0079451400000000 ] - [ -0.0073895500000000, 0.0000000000000000, 0.0061561600000000 ] - [ -0.0073415100000000, -0.0006649400000000, 0.0079451400000000 ] - [ -0.0197332100000000, 0.0143018700000000, 0.0007616200000000 ] - [ -0.0064595600000000, 0.0000000000000000, 0.0006080500000000 ] - [ -0.0197332100000000, -0.0143018700000000, 0.0007616200000000 ] - [ -0.0069549700000000, 0.0000047400000000, 0.0074965900000000 ] - [ -0.0069502200000000, 0.0000000000000000, 0.0069162300000000 ] - [ -0.0069549700000000, -0.0000047400000000, 0.0074965900000000 ] - [ -0.0086508600000000, -0.0005613000000000, 0.0063278600000000 ] - [ -0.0087309100000000, 0.0000000000000000, 0.0041785000000000 ] - [ -0.0086508600000000, 0.0005613000000000, 0.0063278600000000 ] - [ -0.0068648400000000, 0.0000032700000000, 0.0081682100000000 ] - [ -0.0068994000000000, 0.0000000000000000, 0.0075520000000000 ] - [ -0.0068648400000000, -0.0000032700000000, 0.0081682100000000 ]- atom: 100 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005381200000000, 0.0000000000000000, 0.0033724000000000 ] - [ -0.0005331500000000, 0.0001024200000000, 0.0013603900000000 ] - [ -0.0005331500000000, -0.0001024200000000, 0.0013603900000000 ] - [ -0.0000769100000000, 0.0000000000000000, -0.0010652500000000 ] - [ -0.0001289600000000, 0.0003539000000000, -0.0002454600000000 ] - [ -0.0001289600000000, -0.0003539000000000, -0.0002454600000000 ] - [ 0.0000861500000000, 0.0000000000000000, -0.0028910700000000 ] - [ -0.0000776700000000, 0.0006810100000000, -0.0003362500000000 ] - [ -0.0000776700000000, -0.0006810100000000, -0.0003362500000000 ] - [ 0.0059052200000000, 0.0000000000000000, -0.0074823500000000 ] - [ 0.0048254300000000, 0.0022167000000000, -0.0047990500000000 ] - [ 0.0048254300000000, -0.0022167000000000, -0.0047990500000000 ] - [ 0.0063891100000000, 0.0000000000000000, -0.0043255200000000 ] - [ 0.0093000900000000, -0.0033152200000000, -0.0047403900000000 ] - [ 0.0093000900000000, 0.0033152200000000, -0.0047403900000000 ] - [ 0.0052233900000000, 0.0000000000000000, -0.0070177900000000 ] - [ 0.0019006200000000, -0.0036151800000000, -0.0085525700000000 ] - [ 0.0019006200000000, 0.0036151800000000, -0.0085525700000000 ] - [ 0.0000593300000000, 0.0010517300000000, 0.0004771900000000 ] - [ -0.0005295200000000, 0.0000000000000000, -0.0012965900000000 ] - [ 0.0000593300000000, -0.0010517300000000, 0.0004771900000000 ] - [ 0.0018765000000000, 0.0018518800000000, -0.0008093300000000 ] - [ 0.0017596000000000, 0.0000000000000000, -0.0003245600000000 ] - [ 0.0018765000000000, -0.0018518800000000, -0.0008093300000000 ] - [ -0.0003568500000000, -0.0001407600000000, -0.0160080100000000 ] - [ -0.0004022800000000, 0.0000000000000000, -0.0063320200000000 ] - [ -0.0003568500000000, 0.0001407600000000, -0.0160080100000000 ] - [ -0.0006064300000000, 0.0054156600000000, -0.0005029500000000 ] - [ 0.0021524100000000, 0.0000000000000000, -0.0008492900000000 ] - [ -0.0006064300000000, -0.0054156600000000, -0.0005029500000000 ] - [ -0.0003370700000000, 0.0000083300000000, -0.0145032100000000 ] - [ -0.0000744000000000, 0.0000000000000000, -0.0053238300000000 ] - [ -0.0003370700000000, -0.0000083300000000, -0.0145032100000000 ] - [ 0.0022504100000000, 0.0002151900000000, 0.0008349300000000 ] - [ 0.0022691900000000, 0.0000000000000000, 0.0003680700000000 ] - [ 0.0022504100000000, -0.0002151900000000, 0.0008349300000000 ] - [ -0.0002563700000000, 0.0009349300000000, 0.0012690100000000 ] - [ 0.0003656800000000, 0.0000000000000000, -0.0011459200000000 ] - [ -0.0002563700000000, -0.0009349300000000, 0.0012690100000000 ] - [ -0.0004916000000000, -0.0000810200000000, 0.0004623400000000 ] - [ -0.0005063300000000, 0.0000000000000000, -0.0001167300000000 ] - [ -0.0004916000000000, 0.0000810200000000, 0.0004623400000000 ] - [ 0.0024943000000000, -0.0000044400000000, 0.0013661200000000 ] - [ 0.0024859000000000, 0.0000000000000000, 0.0012239000000000 ] - [ 0.0024943000000000, 0.0000044400000000, 0.0013661200000000 ] - [ -0.0004611700000000, 0.0000883300000000, 0.0012806100000000 ] - [ -0.0004598500000000, 0.0000000000000000, 0.0006758200000000 ] - [ -0.0004611700000000, -0.0000883300000000, 0.0012806100000000 ] - [ 0.0026822700000000, 0.0003374800000000, 0.0014738900000000 ] - [ 0.0026045900000000, 0.0000000000000000, 0.0010415400000000 ] - [ 0.0026822700000000, -0.0003374800000000, 0.0014738900000000 ] - [ 0.0001744800000000, 0.0000896100000000, 0.0008622300000000 ] - [ 0.0001662400000000, 0.0000000000000000, 0.0002999900000000 ] - [ 0.0001744800000000, -0.0000896100000000, 0.0008622300000000 ] - [ 0.0030014100000000, -0.0001251900000000, 0.0006061100000000 ] - [ 0.0029540100000000, 0.0000000000000000, 0.0001144100000000 ] - [ 0.0030014100000000, 0.0001251900000000, 0.0006061100000000 ] - [ -0.0002912500000000, -0.0000851100000000, 0.0011054500000000 ] - [ -0.0002887900000000, 0.0000000000000000, 0.0004066200000000 ] - [ -0.0002912500000000, 0.0000851100000000, 0.0011054500000000 ] - [ 0.0011710100000000, -0.0018039300000000, -0.0018836500000000 ] - [ 0.0014280500000000, 0.0000000000000000, -0.0008375200000000 ] - [ 0.0011710100000000, 0.0018039300000000, -0.0018836500000000 ] - [ 0.0006879300000000, -0.0007738100000000, 0.0024636100000000 ] - [ 0.0002991700000000, 0.0000000000000000, -0.0000369300000000 ] - [ 0.0006879300000000, 0.0007738100000000, 0.0024636100000000 ] - [ 0.0023888000000000, -0.0001699900000000, 0.0008280400000000 ] - [ 0.0023636500000000, 0.0000000000000000, 0.0002595700000000 ] - [ 0.0023888000000000, 0.0001699900000000, 0.0008280400000000 ] - [ -0.0006737700000000, -0.0009588000000000, 0.0005424700000000 ] - [ -0.0001290900000000, 0.0000000000000000, -0.0017597400000000 ] - [ -0.0006737700000000, 0.0009588000000000, 0.0005424700000000 ] - [ 0.0024975200000000, 0.0000036900000000, 0.0010248100000000 ] - [ 0.0024880700000000, 0.0000000000000000, 0.0008722000000000 ] - [ 0.0024975200000000, -0.0000036900000000, 0.0010248100000000 ] - [ 0.0039402900000000, -0.0064677600000000, 0.0022597200000000 ] - [ 0.0023551500000000, 0.0000000000000000, -0.0004276200000000 ] - [ 0.0039402900000000, 0.0064677600000000, 0.0022597200000000 ] - [ 0.0057252300000000, 0.0000000000000000, -0.0023281600000000 ] - [ 0.0055788500000000, 0.0006148700000000, -0.0027723300000000 ] - [ 0.0055788500000000, -0.0006148700000000, -0.0027723300000000 ] - [ 0.0046444000000000, 0.0000000000000000, -0.0025505900000000 ] - [ 0.0046462900000000, 0.0000064400000000, -0.0026286300000000 ] - [ 0.0046462900000000, -0.0000064400000000, -0.0026286300000000 ] - [ 0.0019421900000000, 0.0000000000000000, -0.0039728700000000 ] - [ 0.0043076300000000, 0.0030355600000000, -0.0037627300000000 ] - [ 0.0043076300000000, -0.0030355600000000, -0.0037627300000000 ] - [ 0.0069010300000000, 0.0000000000000000, 0.0003633700000000 ] - [ 0.0069301500000000, -0.0006249000000000, 0.0000641000000000 ] - [ 0.0069301500000000, 0.0006249000000000, 0.0000641000000000 ] - [ 0.0046177400000000, 0.0000000000000000, -0.0032035700000000 ] - [ 0.0046539900000000, 0.0006586400000000, -0.0036244200000000 ] - [ 0.0046539900000000, -0.0006586400000000, -0.0036244200000000 ] - [ 0.0052103400000000, 0.0000000000000000, -0.0031515500000000 ] - [ 0.0052084000000000, 0.0000040700000000, -0.0032322200000000 ] - [ 0.0052084000000000, -0.0000040700000000, -0.0032322200000000 ] - [ 0.0068764000000000, 0.0000000000000000, 0.0052993000000000 ] - [ 0.0068848400000000, -0.0006659100000000, 0.0050503300000000 ] - [ 0.0068848400000000, 0.0006659100000000, 0.0050503300000000 ] - [ 0.0009199300000000, 0.0000000000000000, 0.0518976000000000 ] - [ 0.0003940100000000, 0.0001716600000000, 0.0042206200000000 ] - [ 0.0003940100000000, -0.0001716600000000, 0.0042206200000000 ] - [ -0.0001437500000000, 0.0000000000000000, -0.0019369100000000 ] - [ -0.0001957700000000, -0.0006421800000000, -0.0002486600000000 ] - [ -0.0001957700000000, 0.0006421800000000, -0.0002486600000000 ] - [ -0.0003802600000000, 0.0000000000000000, -0.0013259100000000 ] - [ -0.0003778800000000, -0.0001237600000000, -0.0011147700000000 ] - [ -0.0003778800000000, 0.0001237600000000, -0.0011147700000000 ] - [ -0.0003883500000000, 0.0000000000000000, -0.0112547400000000 ] - [ -0.0002144800000000, -0.0013739500000000, -0.0009674000000000 ] - [ -0.0002144800000000, 0.0013739500000000, -0.0009674000000000 ] - [ -0.0006089500000000, 0.0000000000000000, -0.0011799000000000 ] - [ -0.0006095200000000, -0.0001237600000000, -0.0009591500000000 ] - [ -0.0006095200000000, 0.0001237600000000, -0.0009591500000000 ] - [ 0.0000843100000000, 0.0000000000000000, -0.0011680100000000 ] - [ 0.0000911700000000, 0.0001256500000000, -0.0009872100000000 ] - [ 0.0000911700000000, -0.0001256500000000, -0.0009872100000000 ] - [ -0.0006014800000000, 0.0000000000000000, -0.0012960800000000 ] - [ -0.0006084900000000, 0.0001307800000000, -0.0011167500000000 ] - [ -0.0006084900000000, -0.0001307800000000, -0.0011167500000000 ] - [ -0.0092601900000000, 0.0006610400000000, -0.0077368900000000 ] - [ -0.0093694300000000, 0.0000000000000000, -0.0052039500000000 ] - [ -0.0092601900000000, -0.0006610400000000, -0.0077368900000000 ] - [ 0.0001316000000000, 0.0160410300000000, 0.0061051100000000 ] - [ -0.0113766900000000, 0.0000000000000000, 0.0080369200000000 ] - [ 0.0001316000000000, -0.0160410300000000, 0.0061051100000000 ] - [ -0.0163264500000000, 0.0158194900000000, 0.0102886200000000 ] - [ -0.0030811600000000, 0.0000000000000000, 0.0115360500000000 ] - [ -0.0163264500000000, -0.0158194900000000, 0.0102886200000000 ] - [ -0.0152646700000000, -0.0137701300000000, 0.0081081200000000 ] - [ -0.0055964700000000, 0.0000000000000000, 0.0077315100000000 ] - [ -0.0152646700000000, 0.0137701300000000, 0.0081081200000000 ] - [ -0.0063839900000000, -0.0006633200000000, 0.0022612100000000 ] - [ -0.0062925800000000, 0.0000000000000000, 0.0043350400000000 ] - [ -0.0063839900000000, 0.0006633200000000, 0.0022612100000000 ] - [ -0.0077004700000000, -0.0006586700000000, 0.0016001000000000 ] - [ -0.0076564500000000, 0.0000000000000000, 0.0033898000000000 ] - [ -0.0077004700000000, 0.0006586700000000, 0.0016001000000000 ] - [ 0.0061375100000000, -0.0142233400000000, 0.0064858300000000 ] - [ -0.0070546400000000, 0.0000000000000000, 0.0066690800000000 ] - [ 0.0061375100000000, 0.0142233400000000, 0.0064858300000000 ] - [ -0.0069564300000000, -0.0000058000000000, 0.0014642600000000 ] - [ -0.0069612900000000, 0.0000000000000000, 0.0020413600000000 ] - [ -0.0069564300000000, 0.0000058000000000, 0.0014642600000000 ] - [ -0.0088709900000000, 0.0005637400000000, -0.0013231900000000 ] - [ -0.0087917300000000, 0.0000000000000000, 0.0008299500000000 ] - [ -0.0088709900000000, -0.0005637400000000, -0.0013231900000000 ] - [ -0.0071357900000000, -0.0000033500000000, 0.0021334900000000 ] - [ -0.0070994400000000, 0.0000000000000000, 0.0027534200000000 ] - [ -0.0071357900000000, 0.0000033500000000, 0.0021334900000000 ]- atom: 103 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0020106800000000, 0.0000000000000000, -0.0000585700000000 ] - [ -0.0008406400000000, -0.0000715500000000, 0.0000005100000000 ] - [ -0.0008406400000000, 0.0000715500000000, 0.0000005100000000 ] - [ -0.0002173000000000, 0.0000000000000000, 0.0000587200000000 ] - [ -0.0002059600000000, -0.0000022400000000, 0.0000567100000000 ] - [ -0.0002059600000000, 0.0000022400000000, 0.0000567100000000 ] - [ -0.0000799200000000, 0.0000000000000000, 0.0003137500000000 ] - [ -0.0000913900000000, -0.0000016000000000, 0.0003099500000000 ] - [ -0.0000913900000000, 0.0000016000000000, 0.0003099500000000 ] - [ 0.0027780000000000, 0.0000000000000000, -0.0082955900000000 ] - [ 0.0040946200000000, 0.0021201000000000, -0.0044441400000000 ] - [ 0.0040946200000000, -0.0021201000000000, -0.0044441400000000 ] - [ 0.0095673300000000, 0.0000000000000000, -0.0037297400000000 ] - [ 0.0096035600000000, 0.0002344800000000, -0.0036861400000000 ] - [ 0.0096035600000000, -0.0002344800000000, -0.0036861400000000 ] - [ 0.0013650300000000, 0.0000000000000000, -0.0069149400000000 ] - [ 0.0014110800000000, -0.0002555400000000, -0.0069445000000000 ] - [ 0.0014110800000000, 0.0002555400000000, -0.0069445000000000 ] - [ -0.0019745300000000, 0.0044613300000000, 0.0004121200000000 ] - [ -0.0006343600000000, 0.0000000000000000, -0.0014258800000000 ] - [ -0.0019745300000000, -0.0044613300000000, 0.0004121200000000 ] - [ 0.0104408700000000, 0.0004738700000000, -0.0000718400000000 ] - [ 0.0030105100000000, 0.0000000000000000, 0.0002800700000000 ] - [ 0.0104408700000000, -0.0004738700000000, -0.0000718400000000 ] - [ -0.0004800000000000, -0.0008890400000000, 0.0006981700000000 ] - [ -0.0004081100000000, 0.0000000000000000, -0.0013557700000000 ] - [ -0.0004800000000000, 0.0008890400000000, 0.0006981700000000 ] - [ -0.0032705000000000, -0.0002193200000000, 0.0001014300000000 ] - [ 0.0010304600000000, 0.0000000000000000, 0.0000249000000000 ] - [ -0.0032705000000000, 0.0002193200000000, 0.0001014300000000 ] - [ -0.0007947400000000, 0.0008431500000000, -0.0038169300000000 ] - [ -0.0002472000000000, 0.0000000000000000, -0.0019076200000000 ] - [ -0.0007947400000000, -0.0008431500000000, -0.0038169300000000 ] - [ 0.0104146800000000, 0.0004753700000000, 0.0004525400000000 ] - [ 0.0033105500000000, 0.0000000000000000, -0.0000822600000000 ] - [ 0.0104146800000000, -0.0004753700000000, 0.0004525400000000 ] - [ 0.0019472400000000, -0.0022608700000000, -0.0026800900000000 ] - [ 0.0004804500000000, 0.0000000000000000, -0.0011865400000000 ] - [ 0.0019472400000000, 0.0022608700000000, -0.0026800900000000 ] - [ -0.0005736100000000, 0.0000261600000000, -0.0016814200000000 ] - [ -0.0005404700000000, 0.0000000000000000, -0.0017893000000000 ] - [ -0.0005736100000000, -0.0000261600000000, -0.0016814200000000 ] - [ 0.0029818400000000, 0.0000017400000000, 0.0005606700000000 ] - [ 0.0027681800000000, 0.0000000000000000, 0.0005645300000000 ] - [ 0.0029818400000000, -0.0000017400000000, 0.0005606700000000 ] - [ -0.0000407100000000, -0.0008523600000000, -0.0036046300000000 ] - [ -0.0004059700000000, 0.0000000000000000, -0.0018022500000000 ] - [ -0.0000407100000000, 0.0008523600000000, -0.0036046300000000 ] - [ -0.0029850900000000, -0.0001386400000000, 0.0003058100000000 ] - [ 0.0016109100000000, 0.0000000000000000, 0.0004297600000000 ] - [ -0.0029850900000000, 0.0001386400000000, 0.0003058100000000 ] - [ 0.0000224200000000, 0.0007831800000000, 0.0008980300000000 ] - [ 0.0000877400000000, 0.0000000000000000, -0.0008808800000000 ] - [ 0.0000224200000000, -0.0007831800000000, 0.0008980300000000 ] - [ 0.0030864000000000, 0.0000014000000000, -0.0003448700000000 ] - [ 0.0030564900000000, 0.0000000000000000, -0.0003445000000000 ] - [ 0.0030864000000000, -0.0000014000000000, -0.0003448700000000 ] - [ -0.0002578000000000, -0.0000277300000000, -0.0016583500000000 ] - [ -0.0002776800000000, 0.0000000000000000, -0.0015558500000000 ] - [ -0.0002578000000000, 0.0000277300000000, -0.0016583500000000 ] - [ 0.0020530200000000, 0.0000004700000000, -0.0001993000000000 ] - [ 0.0017482900000000, 0.0000000000000000, -0.0001852200000000 ] - [ 0.0020530200000000, -0.0000004700000000, -0.0001993000000000 ] - [ 0.0005073800000000, -0.0000352600000000, -0.0000807400000000 ] - [ 0.0004566100000000, 0.0000000000000000, -0.0002392700000000 ] - [ 0.0005073800000000, 0.0000352600000000, -0.0000807400000000 ] - [ 0.0022146900000000, 0.0000001600000000, -0.0001638100000000 ] - [ 0.0022418000000000, 0.0000000000000000, -0.0001628200000000 ] - [ 0.0022146900000000, -0.0000001600000000, -0.0001638100000000 ] - [ -0.0001398900000000, 0.0000337200000000, -0.0023976900000000 ] - [ -0.0001199600000000, 0.0000000000000000, -0.0022208200000000 ] - [ -0.0001398900000000, -0.0000337200000000, -0.0023976900000000 ] - [ 0.0018887400000000, -0.0000001400000000, 0.0001755500000000 ] - [ 0.0021237200000000, 0.0000000000000000, 0.0001714200000000 ] - [ 0.0018887400000000, 0.0000001400000000, 0.0001755500000000 ] - [ 0.0018316400000000, 0.0000043500000000, 0.0002566900000000 ] - [ 0.0020970200000000, 0.0000000000000000, 0.0002740700000000 ] - [ 0.0018316400000000, -0.0000043500000000, 0.0002566900000000 ] - [ 0.0025632400000000, 0.0000000000000000, 0.0023570100000000 ] - [ 0.0052585300000000, 0.0023532900000000, -0.0024718700000000 ] - [ 0.0052585300000000, -0.0023532900000000, -0.0024718700000000 ] - [ 0.0046131900000000, 0.0000000000000000, -0.0031975000000000 ] - [ 0.0046121700000000, 0.0002026700000000, -0.0031800900000000 ] - [ 0.0046121700000000, -0.0002026700000000, -0.0031800900000000 ] - [ 0.0060586800000000, 0.0000000000000000, 0.0000199800000000 ] - [ 0.0052330400000000, -0.0022774900000000, -0.0017138300000000 ] - [ 0.0052330400000000, 0.0022774900000000, -0.0017138300000000 ] - [ 0.0069156700000000, 0.0000000000000000, -0.0006813800000000 ] - [ 0.0069156000000000, 0.0000164900000000, -0.0006775900000000 ] - [ 0.0069156000000000, -0.0000164900000000, -0.0006775900000000 ] - [ 0.0037441100000000, 0.0000000000000000, -0.0094082900000000 ] - [ 0.0050436800000000, -0.0023567800000000, -0.0054051600000000 ] - [ 0.0050436800000000, 0.0023567800000000, -0.0054051600000000 ] - [ 0.0052280800000000, 0.0000000000000000, -0.0042029500000000 ] - [ 0.0052345500000000, -0.0002135400000000, -0.0042182900000000 ] - [ 0.0052345500000000, 0.0002135400000000, -0.0042182900000000 ] - [ 0.0068842700000000, 0.0000000000000000, 0.0043785900000000 ] - [ 0.0068840100000000, -0.0000089400000000, 0.0043759600000000 ] - [ 0.0068840100000000, 0.0000089400000000, 0.0043759600000000 ] - [ 0.0034702100000000, 0.0000000000000000, -0.0000539500000000 ] - [ 0.0012553900000000, 0.0000664200000000, 0.0000016400000000 ] - [ 0.0012553900000000, -0.0000664200000000, 0.0000016400000000 ] - [ -0.0572836100000000, 0.0000000000000000, 0.0015860800000000 ] - [ -0.0032535100000000, -0.0001585500000000, 0.0000710900000000 ] - [ -0.0032535100000000, 0.0001585500000000, 0.0000710900000000 ] - [ -0.0031805200000000, 0.0000000000000000, -0.0003875100000000 ] - [ -0.0011450800000000, -0.0001242000000000, -0.0003015300000000 ] - [ -0.0011450800000000, 0.0001242000000000, -0.0003015300000000 ] - [ 0.0185070000000000, 0.0000000000000000, 0.0001442300000000 ] - [ 0.0024746000000000, 0.0000712200000000, 0.0001201700000000 ] - [ 0.0024746000000000, -0.0000712200000000, 0.0001201700000000 ] - [ 0.0018825600000000, 0.0000000000000000, 0.0001410900000000 ] - [ 0.0001200700000000, 0.0000679700000000, 0.0001132400000000 ] - [ 0.0001200700000000, -0.0000679700000000, 0.0001132400000000 ] - [ -0.0000632500000000, 0.0000000000000000, 0.0000177100000000 ] - [ -0.0000451500000000, -0.0000038200000000, 0.0000180000000000 ] - [ -0.0000451500000000, 0.0000038200000000, 0.0000180000000000 ] - [ -0.0004358800000000, 0.0000000000000000, -0.0001551700000000 ] - [ -0.0004547800000000, 0.0000015700000000, -0.0001538000000000 ] - [ -0.0004547800000000, -0.0000015700000000, -0.0001538000000000 ] - [ -0.0094548000000000, 0.0000104000000000, -0.0033750900000000 ] - [ -0.0094421000000000, 0.0000000000000000, -0.0033602500000000 ] - [ -0.0094548000000000, -0.0000104000000000, -0.0033750900000000 ] - [ -0.0113489200000000, -0.0001558900000000, 0.0067186000000000 ] - [ -0.0112435900000000, 0.0000000000000000, 0.0056398400000000 ] - [ -0.0113489200000000, 0.0001558900000000, 0.0067186000000000 ] - [ -0.0037398700000000, 0.0001496300000000, 0.0068973500000000 ] - [ -0.0035752000000000, 0.0000000000000000, 0.0079607600000000 ] - [ -0.0037398700000000, -0.0001496300000000, 0.0068973500000000 ] - [ -0.0020324800000000, -0.0136236400000000, 0.0171627900000000 ] - [ -0.0060625600000000, 0.0000000000000000, 0.0052060700000000 ] - [ -0.0020324800000000, 0.0136236400000000, 0.0171627900000000 ] - [ -0.0025924500000000, 0.0122495100000000, 0.0193375300000000 ] - [ -0.0063969100000000, 0.0000000000000000, 0.0059828800000000 ] - [ -0.0025924500000000, -0.0122495100000000, 0.0193375300000000 ] - [ -0.0039371400000000, -0.0124404800000000, -0.0090980900000000 ] - [ -0.0076020600000000, 0.0000000000000000, 0.0046133300000000 ] - [ -0.0039371400000000, 0.0124404800000000, -0.0090980900000000 ] - [ -0.0022641700000000, 0.0140267600000000, -0.0088677300000000 ] - [ -0.0067562100000000, 0.0000000000000000, 0.0033782300000000 ] - [ -0.0022641700000000, -0.0140267600000000, -0.0088677300000000 ] - [ -0.0068953400000000, -0.0000735900000000, 0.0031643000000000 ] - [ -0.0069214800000000, 0.0000000000000000, 0.0040165700000000 ] - [ -0.0068953400000000, 0.0000735900000000, 0.0031643000000000 ] - [ -0.0087686800000000, -0.0000112500000000, 0.0025218100000000 ] - [ -0.0087709200000000, 0.0000000000000000, 0.0025031500000000 ] - [ -0.0087686800000000, 0.0000112500000000, 0.0025218100000000 ] - [ -0.0069223500000000, 0.0000785300000000, 0.0064664300000000 ] - [ -0.0069646400000000, 0.0000000000000000, 0.0056029600000000 ] - [ -0.0069223500000000, -0.0000785300000000, 0.0064664300000000 ]- atom: 103 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ 0.0009382300000000, 0.0000000000000000, -0.0000535600000000 ] - [ -0.0002304800000000, 0.0000692600000000, -0.0001298500000000 ] - [ -0.0002304800000000, -0.0000692600000000, -0.0001298500000000 ] - [ -0.0000472600000000, 0.0000000000000000, 0.0000559200000000 ] - [ -0.0000587600000000, 0.0000022100000000, 0.0000581600000000 ] - [ -0.0000587600000000, -0.0000022100000000, 0.0000581600000000 ] - [ -0.0002307600000000, 0.0000000000000000, 0.0003067200000000 ] - [ -0.0002189900000000, 0.0000015700000000, 0.0003103100000000 ] - [ -0.0002189900000000, -0.0000015700000000, 0.0003103100000000 ] - [ 0.0060106200000000, 0.0000000000000000, 0.0007926800000000 ] - [ 0.0048756300000000, -0.0021177900000000, -0.0029510400000000 ] - [ 0.0048756300000000, 0.0021177900000000, -0.0029510400000000 ] - [ 0.0097053500000000, 0.0000000000000000, -0.0031588200000000 ] - [ 0.0096686800000000, -0.0002342800000000, -0.0032021700000000 ] - [ 0.0096686800000000, 0.0002342800000000, -0.0032021700000000 ] - [ 0.0013933300000000, 0.0000000000000000, -0.0075140300000000 ] - [ 0.0013477200000000, 0.0002554500000000, -0.0074843100000000 ] - [ 0.0013477200000000, -0.0002554500000000, -0.0074843100000000 ] - [ 0.0005223600000000, -0.0043665700000000, -0.0030169900000000 ] - [ -0.0006585000000000, 0.0000000000000000, -0.0011765500000000 ] - [ 0.0005223600000000, 0.0043665700000000, -0.0030169900000000 ] - [ -0.0065207000000000, -0.0004540300000000, 0.0005640700000000 ] - [ 0.0009274100000000, 0.0000000000000000, 0.0002330300000000 ] - [ -0.0065207000000000, 0.0004540300000000, 0.0005640700000000 ] - [ -0.0001556100000000, 0.0008852800000000, -0.0046479400000000 ] - [ -0.0002293900000000, 0.0000000000000000, -0.0025997700000000 ] - [ -0.0001556100000000, -0.0008852800000000, -0.0046479400000000 ] - [ 0.0071694100000000, 0.0002048400000000, 0.0000216600000000 ] - [ 0.0028640700000000, 0.0000000000000000, 0.0000847900000000 ] - [ 0.0071694100000000, -0.0002048400000000, 0.0000216600000000 ] - [ 0.0006925600000000, -0.0008478900000000, 0.0011612900000000 ] - [ 0.0001474600000000, 0.0000000000000000, -0.0007455700000000 ] - [ 0.0006925600000000, 0.0008478900000000, 0.0011612900000000 ] - [ -0.0058745000000000, -0.0004516500000000, -0.0006188600000000 ] - [ 0.0012493000000000, 0.0000000000000000, -0.0001017100000000 ] - [ -0.0058745000000000, 0.0004516500000000, -0.0006188600000000 ] - [ -0.0010394900000000, 0.0024356800000000, 0.0002157000000000 ] - [ 0.0002067100000000, 0.0000000000000000, -0.0012801600000000 ] - [ -0.0010394900000000, -0.0024356800000000, 0.0002157000000000 ] - [ -0.0004366300000000, -0.0000260100000000, -0.0022097900000000 ] - [ -0.0004699600000000, 0.0000000000000000, -0.0021019100000000 ] - [ -0.0004366300000000, 0.0000260100000000, -0.0022097900000000 ] - [ 0.0019820500000000, -0.0000015200000000, 0.0005186500000000 ] - [ 0.0021957900000000, 0.0000000000000000, 0.0005149000000000 ] - [ 0.0019820500000000, 0.0000015200000000, 0.0005186500000000 ] - [ -0.0009101800000000, 0.0008489500000000, 0.0012876300000000 ] - [ -0.0005484000000000, 0.0000000000000000, -0.0005132100000000 ] - [ -0.0009101800000000, -0.0008489500000000, 0.0012876300000000 ] - [ 0.0082020400000000, 0.0001274500000000, 0.0005686100000000 ] - [ 0.0035980400000000, 0.0000000000000000, 0.0004545400000000 ] - [ 0.0082020400000000, -0.0001274500000000, 0.0005686100000000 ] - [ 0.0002371900000000, -0.0007877600000000, -0.0039206700000000 ] - [ 0.0001752300000000, 0.0000000000000000, -0.0021387500000000 ] - [ 0.0002371900000000, 0.0007877600000000, -0.0039206700000000 ] - [ 0.0027845700000000, -0.0000013100000000, -0.0003558000000000 ] - [ 0.0028149100000000, 0.0000000000000000, -0.0003558900000000 ] - [ 0.0027845700000000, 0.0000013100000000, -0.0003558000000000 ] - [ -0.0003056400000000, 0.0000276900000000, -0.0011726600000000 ] - [ -0.0002857200000000, 0.0000000000000000, -0.0012741700000000 ] - [ -0.0003056400000000, -0.0000276900000000, -0.0011726600000000 ] - [ 0.0007788200000000, -0.0000004200000000, -0.0001659900000000 ] - [ 0.0010830400000000, 0.0000000000000000, -0.0001796300000000 ] - [ 0.0007788200000000, 0.0000004200000000, -0.0001659900000000 ] - [ 0.0003301800000000, 0.0000352000000000, -0.0008275700000000 ] - [ 0.0003809500000000, 0.0000000000000000, -0.0006693100000000 ] - [ 0.0003301800000000, -0.0000352000000000, -0.0008275700000000 ] - [ 0.0024831600000000, 0.0000000600000000, -0.0001675300000000 ] - [ 0.0024556000000000, 0.0000000000000000, -0.0001684800000000 ] - [ 0.0024831600000000, -0.0000000600000000, -0.0001675300000000 ] - [ -0.0001108900000000, -0.0000336600000000, -0.0017270800000000 ] - [ -0.0001309500000000, 0.0000000000000000, -0.0019029000000000 ] - [ -0.0001108900000000, 0.0000336600000000, -0.0017270800000000 ] - [ 0.0029724100000000, 0.0000003200000000, 0.0001964800000000 ] - [ 0.0027365700000000, 0.0000000000000000, 0.0002001400000000 ] - [ 0.0029724100000000, -0.0000003200000000, 0.0001964800000000 ] - [ 0.0029945200000000, -0.0000039800000000, 0.0002663200000000 ] - [ 0.0027293800000000, 0.0000000000000000, 0.0002492200000000 ] - [ 0.0029945200000000, 0.0000039800000000, 0.0002663200000000 ] - [ 0.0083849300000000, 0.0000000000000000, -0.0092606800000000 ] - [ 0.0057921700000000, -0.0023559100000000, -0.0044672100000000 ] - [ 0.0057921700000000, 0.0023559100000000, -0.0044672100000000 ] - [ 0.0046868000000000, 0.0000000000000000, -0.0036163500000000 ] - [ 0.0046875100000000, -0.0002029000000000, -0.0036340300000000 ] - [ 0.0046875100000000, 0.0002029000000000, -0.0036340300000000 ] - [ 0.0040890500000000, 0.0000000000000000, -0.0053623000000000 ] - [ 0.0046654400000000, 0.0022733600000000, -0.0034434700000000 ] - [ 0.0046654400000000, -0.0022733600000000, -0.0034434700000000 ] - [ 0.0069300000000000, 0.0000000000000000, -0.0006631500000000 ] - [ 0.0069301000000000, -0.0000163600000000, -0.0006668300000000 ] - [ 0.0069301000000000, 0.0000163600000000, -0.0006668300000000 ] - [ 0.0058458300000000, 0.0000000000000000, 0.0008169200000000 ] - [ 0.0043990100000000, 0.0023531100000000, -0.0032660800000000 ] - [ 0.0043990100000000, -0.0023531100000000, -0.0032660800000000 ] - [ 0.0051763100000000, 0.0000000000000000, -0.0037964000000000 ] - [ 0.0051701100000000, 0.0002137600000000, -0.0037811000000000 ] - [ 0.0051701100000000, -0.0002137600000000, -0.0037811000000000 ] - [ 0.0068702900000000, 0.0000000000000000, 0.0043547100000000 ] - [ 0.0068704500000000, 0.0000095300000000, 0.0043574500000000 ] - [ 0.0068704500000000, -0.0000095300000000, 0.0043574500000000 ] - [ -0.0026067500000000, 0.0000000000000000, 0.0002620800000000 ] - [ -0.0003919100000000, -0.0000657400000000, 0.0002132600000000 ] - [ -0.0003919100000000, 0.0000657400000000, 0.0002132600000000 ] - [ 0.0564490700000000, 0.0000000000000000, -0.0012070300000000 ] - [ 0.0026473800000000, 0.0001315800000000, 0.0001058100000000 ] - [ 0.0026473800000000, -0.0001315800000000, 0.0001058100000000 ] - [ 0.0023882300000000, 0.0000000000000000, 0.0000203900000000 ] - [ 0.0003527700000000, 0.0001203300000000, -0.0000397600000000 ] - [ 0.0003527700000000, -0.0001203300000000, -0.0000397600000000 ] - [ -0.0185907800000000, 0.0000000000000000, -0.0000469500000000 ] - [ -0.0025477100000000, -0.0000683900000000, -0.0000223000000000 ] - [ -0.0025477100000000, 0.0000683900000000, -0.0000223000000000 ] - [ -0.0030462800000000, 0.0000000000000000, -0.0000550700000000 ] - [ -0.0012826700000000, -0.0000670400000000, -0.0000332300000000 ] - [ -0.0012826700000000, 0.0000670400000000, -0.0000332300000000 ] - [ 0.0002433100000000, 0.0000000000000000, 0.0000405600000000 ] - [ 0.0002258200000000, 0.0000037400000000, 0.0000402400000000 ] - [ 0.0002258200000000, -0.0000037400000000, 0.0000402400000000 ] - [ -0.0007791800000000, 0.0000000000000000, -0.0001693900000000 ] - [ -0.0007601200000000, -0.0000019300000000, -0.0001700400000000 ] - [ -0.0007601200000000, 0.0000019300000000, -0.0001700400000000 ] - [ -0.0094186500000000, -0.0000106100000000, -0.0032418200000000 ] - [ -0.0094314900000000, 0.0000000000000000, -0.0032571200000000 ] - [ -0.0094186500000000, 0.0000106100000000, -0.0032418200000000 ] - [ -0.0110133900000000, 0.0001552200000000, 0.0036540500000000 ] - [ -0.0111183800000000, 0.0000000000000000, 0.0047306300000000 ] - [ -0.0110133900000000, -0.0001552200000000, 0.0036540500000000 ] - [ -0.0031865900000000, -0.0001495000000000, 0.0100848500000000 ] - [ -0.0033506200000000, 0.0000000000000000, 0.0090243500000000 ] - [ -0.0031865900000000, 0.0001495000000000, 0.0100848500000000 ] - [ -0.0098627800000000, 0.0137159500000000, -0.0074168100000000 ] - [ -0.0058714900000000, 0.0000000000000000, 0.0046268800000000 ] - [ -0.0098627800000000, -0.0137159500000000, -0.0074168100000000 ] - [ -0.0102214800000000, -0.0121738700000000, -0.0077295400000000 ] - [ -0.0063913900000000, 0.0000000000000000, 0.0055425800000000 ] - [ -0.0102214800000000, 0.0121738700000000, -0.0077295400000000 ] - [ -0.0110714100000000, 0.0125303500000000, 0.0187362700000000 ] - [ -0.0074429800000000, 0.0000000000000000, 0.0049375200000000 ] - [ -0.0110714100000000, -0.0125303500000000, 0.0187362700000000 ] - [ -0.0112704600000000, -0.0139292800000000, 0.0160616800000000 ] - [ -0.0067585000000000, 0.0000000000000000, 0.0038980600000000 ] - [ -0.0112704600000000, 0.0139292800000000, 0.0160616800000000 ] - [ -0.0070149600000000, 0.0000723300000000, 0.0057982000000000 ] - [ -0.0069881200000000, 0.0000000000000000, 0.0049429200000000 ] - [ -0.0070149600000000, -0.0000723300000000, 0.0057982000000000 ] - [ -0.0087550000000000, 0.0000115600000000, 0.0024855100000000 ] - [ -0.0087526100000000, 0.0000000000000000, 0.0025052600000000 ] - [ -0.0087550000000000, -0.0000115600000000, 0.0024855100000000 ] - [ -0.0070784400000000, -0.0000784100000000, 0.0038389400000000 ] - [ -0.0070354600000000, 0.0000000000000000, 0.0047047300000000 ] - [ -0.0070784400000000, 0.0000784100000000, 0.0038389400000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005349800000000, -0.0018526000000000, -0.0000560700000000 ] - [ -0.0004510600000000, 0.0007852900000000, -0.0006846800000000 ] - [ -0.0006190400000000, 0.0007854900000000, 0.0005535200000000 ] - [ -0.0001329300000000, -0.0002067900000000, 0.0000590200000000 ] - [ -0.0001278600000000, 0.0001031100000000, 0.0000030100000000 ] - [ -0.0001379400000000, 0.0001031500000000, 0.0001149600000000 ] - [ -0.0001560500000000, -0.0002039600000000, 0.0003108000000000 ] - [ -0.0001595900000000, 0.0001025700000000, 0.0002543800000000 ] - [ -0.0001524300000000, 0.0001026600000000, 0.0003670600000000 ] - [ 0.0044814200000000, 0.0116666600000000, -0.0037122500000000 ] - [ 0.0052539000000000, -0.0043244000000000, -0.0028365200000000 ] - [ 0.0037267700000000, -0.0043337400000000, -0.0045562800000000 ] - [ 0.0096365300000000, 0.0015089900000000, -0.0034451300000000 ] - [ 0.0095894000000000, -0.0007472700000000, -0.0032093400000000 ] - [ 0.0096827600000000, -0.0007490500000000, -0.0036797300000000 ] - [ 0.0013790500000000, 0.0014376200000000, -0.0072157400000000 ] - [ 0.0013912200000000, -0.0007090500000000, -0.0070258200000000 ] - [ 0.0013675300000000, -0.0007116600000000, -0.0074043200000000 ] - [ 0.0034821300000000, 0.0000216800000000, -0.0031066400000000 ] - [ -0.0006437500000000, -0.0020314600000000, -0.0013018000000000 ] - [ -0.0048783200000000, -0.0001414300000000, 0.0005038700000000 ] - [ 0.0045562300000000, -0.0002084800000000, 0.0047069200000000 ] - [ 0.0019699300000000, -0.0016841000000000, 0.0002596700000000 ] - [ -0.0006084500000000, -0.0003706300000000, -0.0042881500000000 ] - [ -0.0009670500000000, 0.0005422000000000, 0.0009025100000000 ] - [ -0.0003188000000000, -0.0008613300000000, -0.0019764500000000 ] - [ 0.0003269500000000, 0.0005360300000000, -0.0048600900000000 ] - [ 0.0017396600000000, 0.0010472900000000, 0.0017393600000000 ] - [ 0.0019476700000000, -0.0017190200000000, 0.0000554800000000 ] - [ 0.0021576100000000, 0.0010368300000000, -0.0016222300000000 ] - [ 0.0008939900000000, 0.0005596900000000, 0.0022568600000000 ] - [ -0.0000496600000000, -0.0009270900000000, -0.0013250700000000 ] - [ -0.0009908200000000, 0.0005549300000000, -0.0049103500000000 ] - [ 0.0039166400000000, -0.0012161700000000, -0.0057513900000000 ] - [ 0.0022800900000000, -0.0017601600000000, -0.0000943700000000 ] - [ 0.0006467500000000, -0.0013286900000000, 0.0056141200000000 ] - [ -0.0020014000000000, 0.0025741200000000, -0.0026598400000000 ] - [ 0.0003395900000000, -0.0020092300000000, -0.0012338900000000 ] - [ 0.0028971300000000, 0.0023087300000000, 0.0001996400000000 ] - [ -0.0004620300000000, 0.0001154500000000, -0.0024814900000000 ] - [ -0.0005051800000000, -0.0002302200000000, -0.0019466100000000 ] - [ -0.0005484000000000, 0.0001150800000000, -0.0014117000000000 ] - [ 0.0023784200000000, 0.0002183900000000, 0.0000589600000000 ] - [ 0.0024819800000000, -0.0004454100000000, 0.0005390700000000 ] - [ 0.0025844800000000, 0.0002181100000000, 0.0010187000000000 ] - [ -0.0010774400000000, 0.0006013800000000, -0.0043875800000000 ] - [ -0.0004776200000000, -0.0010120400000000, -0.0011586400000000 ] - [ 0.0001186200000000, 0.0005965200000000, 0.0020713000000000 ] - [ 0.0023047300000000, 0.0009785400000000, -0.0016328200000000 ] - [ 0.0026053200000000, -0.0016121500000000, 0.0004418000000000 ] - [ 0.0029102500000000, 0.0009711300000000, 0.0025112800000000 ] - [ 0.0008436100000000, 0.0006092900000000, -0.0051405900000000 ] - [ 0.0001319100000000, -0.0010287600000000, -0.0015112200000000 ] - [ -0.0005755700000000, 0.0006051300000000, 0.0021150000000000 ] - [ 0.0029258800000000, 0.0000568800000000, -0.0003270100000000 ] - [ 0.0029357500000000, -0.0001131200000000, -0.0003509300000000 ] - [ 0.0029451600000000, 0.0000567300000000, -0.0003749700000000 ] - [ -0.0002900900000000, 0.0001055700000000, -0.0018950800000000 ] - [ -0.0002816500000000, -0.0002113400000000, -0.0014154100000000 ] - [ -0.0002734400000000, 0.0001052800000000, -0.0009369100000000 ] - [ 0.0013727100000000, 0.0001397300000000, 0.0004085300000000 ] - [ 0.0014153700000000, -0.0002784800000000, -0.0001820500000000 ] - [ 0.0014576000000000, 0.0001392400000000, -0.0007727700000000 ] - [ 0.0004586500000000, 0.0000832000000000, 0.0001448100000000 ] - [ 0.0004186300000000, -0.0001668900000000, -0.0004549300000000 ] - [ 0.0003783000000000, 0.0000828800000000, -0.0010555000000000 ] - [ 0.0023437400000000, 0.0000482100000000, -0.0001446200000000 ] - [ 0.0023491300000000, -0.0000963400000000, -0.0001661000000000 ] - [ 0.0023548400000000, 0.0000479300000000, -0.0001876100000000 ] - [ -0.0001325300000000, 0.0000969000000000, -0.0013061300000000 ] - [ -0.0001252800000000, -0.0001930900000000, -0.0020623300000000 ] - [ -0.0001180300000000, 0.0000965000000000, -0.0028194300000000 ] - [ 0.0024176700000000, 0.0001833500000000, -0.0003423700000000 ] - [ 0.0024306000000000, -0.0003768200000000, 0.0001854900000000 ] - [ 0.0024450400000000, 0.0001825100000000, 0.0007129400000000 ] - [ 0.0024593800000000, 0.0001383700000000, 0.0007825000000000 ] - [ 0.0024136300000000, -0.0002837700000000, 0.0002618000000000 ] - [ 0.0023682600000000, 0.0001375500000000, -0.0002593600000000 ] - [ 0.0055207700000000, 0.0110766600000000, -0.0034594100000000 ] - [ 0.0061305100000000, -0.0044108300000000, -0.0044118300000000 ] - [ 0.0049291400000000, -0.0044158100000000, -0.0025273500000000 ] - [ 0.0046500500000000, 0.0013725800000000, -0.0034065200000000 ] - [ 0.0046653700000000, -0.0006840700000000, -0.0036612700000000 ] - [ 0.0046346000000000, -0.0006848600000000, -0.0031528600000000 ] - [ 0.0049557300000000, 0.0111208500000000, -0.0025860600000000 ] - [ 0.0041186700000000, -0.0037394500000000, -0.0016102500000000 ] - [ 0.0057682200000000, -0.0037487100000000, -0.0035421100000000 ] - [ 0.0069229700000000, 0.0005148200000000, -0.0006726600000000 ] - [ 0.0069178000000000, -0.0002576600000000, -0.0006743700000000 ] - [ 0.0069282100000000, -0.0002577900000000, -0.0006708600000000 ] - [ 0.0047299500000000, 0.0109700400000000, -0.0043271700000000 ] - [ 0.0040811100000000, -0.0039724400000000, -0.0053505600000000 ] - [ 0.0053514900000000, -0.0039782700000000, -0.0033225800000000 ] - [ 0.0052022500000000, 0.0013381400000000, -0.0039992200000000 ] - [ 0.0051455400000000, -0.0006647000000000, -0.0042333900000000 ] - [ 0.0052588200000000, -0.0006664100000000, -0.0037661100000000 ] - [ 0.0068770800000000, 0.0004872700000000, 0.0043662900000000 ] - [ 0.0068714900000000, -0.0002437500000000, 0.0043598700000000 ] - [ 0.0068826400000000, -0.0002444100000000, 0.0043727700000000 ] - [ 0.0004310200000000, -0.0019612300000000, 0.0001110000000000 ] - [ 0.0003164600000000, 0.0009623000000000, -0.0005358300000000 ] - [ 0.0005458600000000, 0.0009642600000000, 0.0007494800000000 ] - [ -0.0003995200000000, -0.0570316300000000, 0.0001482600000000 ] - [ -0.0001562100000000, 0.0099957700000000, -0.0000063000000000 ] - [ -0.0004467800000000, 0.0098683900000000, 0.0001811200000000 ] - [ -0.0003946600000000, -0.0035040500000000, -0.0001834500000000 ] - [ -0.0002963100000000, 0.0016310600000000, 0.0012324200000000 ] - [ -0.0004950800000000, 0.0016301500000000, -0.0015661100000000 ] - [ -0.0000330800000000, -0.0063365700000000, 0.0000460800000000 ] - [ -0.0001568100000000, 0.0029078500000000, -0.0001034800000000 ] - [ 0.0000828200000000, 0.0029092900000000, 0.0001996400000000 ] - [ -0.0005821700000000, -0.0018455400000000, 0.0000366100000000 ] - [ -0.0006296400000000, 0.0008944700000000, 0.0007889000000000 ] - [ -0.0005333400000000, 0.0008951300000000, -0.0007082300000000 ] - [ 0.0000904200000000, -0.0004346000000000, 0.0000301200000000 ] - [ 0.0000897900000000, 0.0002170400000000, 0.0001739900000000 ] - [ 0.0000910700000000, 0.0002172600000000, -0.0001147600000000 ] - [ -0.0006083000000000, -0.0004330700000000, -0.0001620300000000 ] - [ -0.0006075900000000, 0.0002181300000000, -0.0000344900000000 ] - [ -0.0006076200000000, 0.0002180200000000, -0.0002878600000000 ] - [ -0.0094332000000000, -0.0002117000000000, -0.0033819800000000 ] - [ -0.0094368600000000, 0.0004281900000000, -0.0033078100000000 ] - [ -0.0094403700000000, -0.0002113800000000, -0.0032324100000000 ] - [ -0.0111006400000000, -0.0006742900000000, 0.0026456700000000 ] - [ -0.0111810500000000, 0.0013495000000000, 0.0051845400000000 ] - [ -0.0112623800000000, -0.0006717200000000, 0.0077272700000000 ] - [ -0.0035557200000000, -0.0006494200000000, 0.0064331400000000 ] - [ -0.0034628300000000, 0.0013015200000000, 0.0084918700000000 ] - [ -0.0033686800000000, -0.0006469400000000, 0.0105551300000000 ] - [ -0.0206065400000000, 0.0011397600000000, -0.0079327300000000 ] - [ -0.0059707900000000, 0.0061437600000000, 0.0049128600000000 ] - [ 0.0085666800000000, 0.0011730800000000, 0.0176769900000000 ] - [ 0.0041158300000000, 0.0004802100000000, 0.0205625500000000 ] - [ -0.0063926800000000, 0.0057868300000000, 0.0057653100000000 ] - [ -0.0168347200000000, 0.0005122100000000, -0.0089509500000000 ] - [ -0.0197256900000000, 0.0009025700000000, 0.0192966700000000 ] - [ -0.0075250500000000, 0.0061512700000000, 0.0047781100000000 ] - [ 0.0045923300000000, 0.0009202900000000, -0.0096655400000000 ] - [ 0.0051328700000000, 0.0008859800000000, -0.0096645700000000 ] - [ -0.0067550300000000, 0.0057014600000000, 0.0036347200000000 ] - [ -0.0185622600000000, 0.0009265000000000, 0.0168565400000000 ] - [ -0.0069067000000000, -0.0005792700000000, 0.0067553300000000 ] - [ -0.0069551900000000, 0.0011549400000000, 0.0044814300000000 ] - [ -0.0070042700000000, -0.0005766300000000, 0.0022101900000000 ] - [ -0.0087740000000000, -0.0002026100000000, 0.0024163800000000 ] - [ -0.0087617500000000, 0.0004082900000000, 0.0025047000000000 ] - [ -0.0087496700000000, -0.0002028900000000, 0.0025922800000000 ] - [ -0.0069126000000000, -0.0005660400000000, 0.0071505700000000 ] - [ -0.0069997100000000, 0.0011355100000000, 0.0051553800000000 ] - [ -0.0070873000000000, -0.0005648100000000, 0.0031558500000000 ]- atom: 103 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0007892400000000, 0.0000000000000000, 0.0053877500000000 ] - [ -0.0006291700000000, -0.0006771600000000, 0.0004371800000000 ] - [ -0.0006291700000000, 0.0006771600000000, 0.0004371800000000 ] - [ -0.0001570200000000, 0.0000000000000000, 0.0006089000000000 ] - [ -0.0001523900000000, -0.0000668400000000, 0.0005193000000000 ] - [ -0.0001523900000000, 0.0000668400000000, 0.0005193000000000 ] - [ -0.0001336500000000, 0.0000000000000000, 0.0009039100000000 ] - [ -0.0001374000000000, -0.0000658700000000, 0.0008125300000000 ] - [ -0.0001374000000000, 0.0000658700000000, 0.0008125300000000 ] - [ 0.0001282400000000, 0.0000000000000000, -0.0025987200000000 ] - [ 0.0036233100000000, 0.0032891300000000, -0.0021386800000000 ] - [ 0.0036233100000000, -0.0032891300000000, -0.0021386800000000 ] - [ 0.0097707000000000, 0.0000000000000000, -0.0044247200000000 ] - [ 0.0096708000000000, 0.0007352800000000, -0.0040518200000000 ] - [ 0.0096708000000000, -0.0007352800000000, -0.0040518200000000 ] - [ 0.0012829200000000, 0.0000000000000000, -0.0081232000000000 ] - [ 0.0013293900000000, 0.0007392600000000, -0.0077824600000000 ] - [ 0.0013293900000000, -0.0007392600000000, -0.0077824600000000 ] - [ -0.0004279000000000, -0.0002748700000000, 0.0116302800000000 ] - [ -0.0006352400000000, 0.0000000000000000, 0.0026714500000000 ] - [ -0.0004279000000000, 0.0002748700000000, 0.0116302800000000 ] - [ -0.0001998500000000, 0.0049088300000000, 0.0012649500000000 ] - [ 0.0022691900000000, 0.0000000000000000, 0.0011103300000000 ] - [ -0.0001998500000000, -0.0049088300000000, 0.0012649500000000 ] - [ 0.0001499900000000, 0.0009341100000000, -0.0041395100000000 ] - [ -0.0004191200000000, 0.0000000000000000, -0.0021148400000000 ] - [ 0.0001499900000000, -0.0009341100000000, -0.0041395100000000 ] - [ 0.0022551600000000, 0.0019945800000000, 0.0021556100000000 ] - [ 0.0019259300000000, 0.0000000000000000, 0.0009822200000000 ] - [ 0.0022551600000000, -0.0019945800000000, 0.0021556100000000 ] - [ -0.0005483400000000, 0.0009083400000000, -0.0041924100000000 ] - [ 0.0001168400000000, 0.0000000000000000, -0.0016154800000000 ] - [ -0.0005483400000000, -0.0009083400000000, -0.0041924100000000 ] - [ 0.0043416800000000, -0.0057130600000000, -0.0007557400000000 ] - [ 0.0021707700000000, 0.0000000000000000, 0.0007739200000000 ] - [ 0.0043416800000000, 0.0057130600000000, -0.0007557400000000 ] - [ 0.0003455700000000, -0.0001763600000000, 0.0114303900000000 ] - [ 0.0003959700000000, 0.0000000000000000, 0.0026145200000000 ] - [ 0.0003455700000000, 0.0001763600000000, 0.0114303900000000 ] - [ -0.0005231100000000, -0.0000855700000000, -0.0042594300000000 ] - [ -0.0005330100000000, 0.0000000000000000, -0.0036455200000000 ] - [ -0.0005231100000000, 0.0000855700000000, -0.0042594300000000 ] - [ 0.0024491300000000, -0.0002611200000000, -0.0004129500000000 ] - [ 0.0025091300000000, 0.0000000000000000, 0.0000059400000000 ] - [ 0.0024491300000000, 0.0002611200000000, -0.0004129500000000 ] - [ -0.0011816400000000, -0.0009926100000000, -0.0031473400000000 ] - [ -0.0006320500000000, 0.0000000000000000, -0.0010808100000000 ] - [ -0.0011816400000000, 0.0009926100000000, -0.0031473400000000 ] - [ 0.0024442400000000, -0.0018377900000000, 0.0017068100000000 ] - [ 0.0026808900000000, 0.0000000000000000, 0.0012127400000000 ] - [ 0.0024442400000000, 0.0018377900000000, 0.0017068100000000 ] - [ 0.0007505400000000, -0.0009001800000000, -0.0038863700000000 ] - [ 0.0001727600000000, 0.0000000000000000, -0.0015208400000000 ] - [ 0.0007505400000000, 0.0009001800000000, -0.0038863700000000 ] - [ 0.0029192100000000, -0.0000139400000000, -0.0011618200000000 ] - [ 0.0029206900000000, 0.0000000000000000, -0.0009974600000000 ] - [ 0.0029192100000000, 0.0000139400000000, -0.0011618200000000 ] - [ -0.0002883100000000, -0.0000807300000000, -0.0037064300000000 ] - [ -0.0002818500000000, 0.0000000000000000, -0.0031332800000000 ] - [ -0.0002883100000000, 0.0000807300000000, -0.0037064300000000 ] - [ 0.0013993900000000, 0.0002218800000000, -0.0011166600000000 ] - [ 0.0013906000000000, 0.0000000000000000, -0.0005457800000000 ] - [ 0.0013993900000000, -0.0002218800000000, -0.0011166600000000 ] - [ 0.0004635200000000, 0.0000745200000000, -0.0033635200000000 ] - [ 0.0004627000000000, 0.0000000000000000, -0.0026429000000000 ] - [ 0.0004635200000000, -0.0000745200000000, -0.0033635200000000 ] - [ 0.0023428800000000, -0.0000011900000000, -0.0008903900000000 ] - [ 0.0023503700000000, 0.0000000000000000, -0.0007350500000000 ] - [ 0.0023428800000000, 0.0000011900000000, -0.0008903900000000 ] - [ -0.0000898800000000, 0.0000854800000000, -0.0050475800000000 ] - [ -0.0000985300000000, 0.0000000000000000, -0.0042091900000000 ] - [ -0.0000898800000000, -0.0000854800000000, -0.0050475800000000 ] - [ 0.0024088300000000, -0.0002411400000000, -0.0007023100000000 ] - [ 0.0024115900000000, 0.0000000000000000, -0.0002264500000000 ] - [ 0.0024088300000000, 0.0002411400000000, -0.0007023100000000 ] - [ 0.0023878600000000, 0.0001792400000000, -0.0005673700000000 ] - [ 0.0024125600000000, 0.0000000000000000, -0.0001129900000000 ] - [ 0.0023878600000000, -0.0001792400000000, -0.0005673700000000 ] - [ 0.0108724900000000, 0.0000000000000000, -0.0043734100000000 ] - [ 0.0063123000000000, -0.0029496500000000, -0.0024553900000000 ] - [ 0.0063123000000000, 0.0029496500000000, -0.0024553900000000 ] - [ 0.0047209400000000, 0.0000000000000000, -0.0044787500000000 ] - [ 0.0047092200000000, -0.0006180700000000, -0.0040732900000000 ] - [ 0.0047092200000000, 0.0006180700000000, -0.0040732900000000 ] - [ 0.0075259600000000, 0.0000000000000000, 0.0006351600000000 ] - [ 0.0055373000000000, 0.0025898800000000, -0.0011593500000000 ] - [ 0.0055373000000000, -0.0025898800000000, -0.0011593500000000 ] - [ 0.0068866300000000, 0.0000000000000000, -0.0014869400000000 ] - [ 0.0068906400000000, 0.0000106200000000, -0.0014090300000000 ] - [ 0.0068906400000000, -0.0000106200000000, -0.0014090300000000 ] - [ 0.0000779500000000, 0.0000000000000000, -0.0041481800000000 ] - [ 0.0041516800000000, -0.0024539900000000, -0.0033171200000000 ] - [ 0.0041516800000000, 0.0024539900000000, -0.0033171200000000 ] - [ 0.0050660000000000, 0.0000000000000000, -0.0050470500000000 ] - [ 0.0051542100000000, -0.0006274200000000, -0.0046468500000000 ] - [ 0.0051542100000000, 0.0006274200000000, -0.0046468500000000 ] - [ 0.0069031800000000, 0.0000000000000000, 0.0036368200000000 ] - [ 0.0069022900000000, 0.0000126300000000, 0.0037016600000000 ] - [ 0.0069022900000000, -0.0000126300000000, 0.0037016600000000 ] - [ 0.0006669800000000, 0.0000000000000000, 0.0021322000000000 ] - [ 0.0005772300000000, -0.0007724300000000, 0.0004453900000000 ] - [ 0.0005772300000000, 0.0007724300000000, 0.0004453900000000 ] - [ 0.0010853600000000, 0.0000000000000000, -0.0502609400000000 ] - [ -0.0003157500000000, 0.0000798100000000, -0.0042411400000000 ] - [ -0.0003157500000000, -0.0000798100000000, -0.0042411400000000 ] - [ -0.0002903700000000, 0.0000000000000000, 0.0089018100000000 ] - [ -0.0002971500000000, 0.0013541600000000, 0.0008186400000000 ] - [ -0.0002971500000000, -0.0013541600000000, 0.0008186400000000 ] - [ -0.0001145500000000, 0.0000000000000000, -0.0073029600000000 ] - [ -0.0000714300000000, 0.0000935200000000, -0.0028675200000000 ] - [ -0.0000714300000000, -0.0000935200000000, -0.0028675200000000 ] - [ -0.0006198800000000, 0.0000000000000000, 0.0020461000000000 ] - [ -0.0006315100000000, 0.0006309900000000, 0.0003504400000000 ] - [ -0.0006315100000000, -0.0006309900000000, 0.0003504400000000 ] - [ 0.0000882200000000, 0.0000000000000000, 0.0012179400000000 ] - [ 0.0000905400000000, 0.0001209900000000, 0.0009966800000000 ] - [ 0.0000905400000000, -0.0001209900000000, 0.0009966800000000 ] - [ -0.0006017700000000, 0.0000000000000000, 0.0009043800000000 ] - [ -0.0006048400000000, 0.0001229200000000, 0.0007016400000000 ] - [ -0.0006048400000000, -0.0001229200000000, 0.0007016400000000 ] - [ -0.0097169500000000, -0.0000040400000000, 0.0002369400000000 ] - [ -0.0096506200000000, 0.0000000000000000, -0.0004778200000000 ] - [ -0.0097169500000000, 0.0000040400000000, 0.0002369400000000 ] - [ -0.0113784800000000, -0.0008050400000000, 0.0096236300000000 ] - [ -0.0113466700000000, 0.0000000000000000, 0.0071637800000000 ] - [ -0.0113784800000000, 0.0008050400000000, 0.0096236300000000 ] - [ -0.0032087400000000, -0.0008160400000000, 0.0125518000000000 ] - [ -0.0032673300000000, 0.0000000000000000, 0.0103734300000000 ] - [ -0.0032087400000000, 0.0008160400000000, 0.0125518000000000 ] - [ 0.0073853500000000, -0.0138739100000000, 0.0039257500000000 ] - [ -0.0062847500000000, 0.0000000000000000, 0.0024420100000000 ] - [ 0.0073853500000000, 0.0138739100000000, 0.0039257500000000 ] - [ 0.0036675400000000, 0.0131597700000000, 0.0041120200000000 ] - [ -0.0064930600000000, 0.0000000000000000, 0.0028922400000000 ] - [ 0.0036675400000000, -0.0131597700000000, 0.0041120200000000 ] - [ -0.0202188700000000, 0.0130308500000000, 0.0030770100000000 ] - [ -0.0074675900000000, 0.0000000000000000, 0.0018277800000000 ] - [ -0.0202188700000000, -0.0130308500000000, 0.0030770100000000 ] - [ -0.0177398200000000, -0.0140501600000000, 0.0015000200000000 ] - [ -0.0067220300000000, 0.0000000000000000, 0.0010226000000000 ] - [ -0.0177398200000000, 0.0140501600000000, 0.0015000200000000 ] - [ -0.0070215600000000, 0.0006228000000000, 0.0078132700000000 ] - [ -0.0070639500000000, 0.0000000000000000, 0.0057968400000000 ] - [ -0.0070215600000000, -0.0006228000000000, 0.0078132700000000 ] - [ -0.0085737900000000, -0.0000015100000000, 0.0057494700000000 ] - [ -0.0086257400000000, 0.0000000000000000, 0.0050441700000000 ] - [ -0.0085737900000000, 0.0000015100000000, 0.0057494700000000 ] - [ -0.0067923600000000, 0.0006354200000000, 0.0082368200000000 ] - [ -0.0068586900000000, 0.0000000000000000, 0.0063828200000000 ] - [ -0.0067923600000000, -0.0006354200000000, 0.0082368200000000 ]- atom: 103 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0002780800000000, 0.0000000000000000, -0.0056022800000000 ] - [ -0.0004413100000000, 0.0006779400000000, -0.0005700800000000 ] - [ -0.0004413100000000, -0.0006779400000000, -0.0005700800000000 ] - [ -0.0001084900000000, 0.0000000000000000, -0.0004944200000000 ] - [ -0.0001129000000000, 0.0000670400000000, -0.0004037300000000 ] - [ -0.0001129000000000, -0.0000670400000000, -0.0004037300000000 ] - [ -0.0001769300000000, 0.0000000000000000, -0.0002844800000000 ] - [ -0.0001729900000000, 0.0000660400000000, -0.0001927700000000 ] - [ -0.0001729900000000, -0.0000660400000000, -0.0001927700000000 ] - [ 0.0087460200000000, 0.0000000000000000, -0.0049559700000000 ] - [ 0.0053544600000000, -0.0032905300000000, -0.0052644300000000 ] - [ 0.0053544600000000, 0.0032905300000000, -0.0052644300000000 ] - [ 0.0095033100000000, 0.0000000000000000, -0.0024633700000000 ] - [ 0.0096019700000000, -0.0007362300000000, -0.0028374900000000 ] - [ 0.0096019700000000, 0.0007362300000000, -0.0028374900000000 ] - [ 0.0014737900000000, 0.0000000000000000, -0.0063056500000000 ] - [ 0.0014289800000000, -0.0007400500000000, -0.0066475600000000 ] - [ 0.0014289800000000, 0.0007400500000000, -0.0066475600000000 ] - [ -0.0008713100000000, 0.0002862500000000, -0.0142211200000000 ] - [ -0.0006582000000000, 0.0000000000000000, -0.0052746900000000 ] - [ -0.0008713100000000, -0.0002862500000000, -0.0142211200000000 ] - [ 0.0041439800000000, -0.0048079700000000, -0.0009192300000000 ] - [ 0.0016663400000000, 0.0000000000000000, -0.0005975800000000 ] - [ 0.0041439800000000, 0.0048079700000000, -0.0009192300000000 ] - [ -0.0007919300000000, -0.0009374000000000, 0.0001758800000000 ] - [ -0.0002183300000000, 0.0000000000000000, -0.0018448000000000 ] - [ -0.0007919300000000, 0.0009374000000000, 0.0001758800000000 ] - [ 0.0016424700000000, -0.0019998700000000, -0.0020523300000000 ] - [ 0.0019706700000000, 0.0000000000000000, -0.0008733900000000 ] - [ 0.0016424700000000, 0.0019998700000000, -0.0020523300000000 ] - [ 0.0004512400000000, -0.0009112600000000, 0.0015298700000000 ] - [ -0.0002164200000000, 0.0000000000000000, -0.0010402400000000 ] - [ 0.0004512400000000, 0.0009112600000000, 0.0015298700000000 ] - [ 0.0002232800000000, 0.0057717300000000, 0.0006970200000000 ] - [ 0.0023874600000000, 0.0000000000000000, -0.0009570600000000 ] - [ 0.0002232800000000, -0.0057717300000000, 0.0006970200000000 ] - [ 0.0003527800000000, 0.0001777300000000, -0.0138834300000000 ] - [ 0.0002917200000000, 0.0000000000000000, -0.0050814300000000 ] - [ 0.0003527800000000, -0.0001777300000000, -0.0138834300000000 ] - [ -0.0004871500000000, 0.0000854700000000, 0.0003682000000000 ] - [ -0.0004774000000000, 0.0000000000000000, -0.0002449400000000 ] - [ -0.0004871500000000, -0.0000854700000000, 0.0003682000000000 ] - [ 0.0025152500000000, 0.0002585400000000, 0.0014899900000000 ] - [ 0.0024552400000000, 0.0000000000000000, 0.0010735900000000 ] - [ 0.0025152500000000, -0.0002585400000000, 0.0014899900000000 ] - [ 0.0002195600000000, 0.0009865500000000, 0.0008397300000000 ] - [ -0.0003232600000000, 0.0000000000000000, -0.0012294600000000 ] - [ 0.0002195600000000, -0.0009865500000000, 0.0008397300000000 ] - [ 0.0027719000000000, 0.0018304800000000, -0.0008148000000000 ] - [ 0.0025298900000000, 0.0000000000000000, -0.0003274600000000 ] - [ 0.0027719000000000, -0.0018304800000000, -0.0008148000000000 ] - [ -0.0004814200000000, 0.0008951800000000, 0.0008700200000000 ] - [ 0.0000907000000000, 0.0000000000000000, -0.0014957700000000 ] - [ -0.0004814200000000, -0.0008951800000000, 0.0008700200000000 ] - [ 0.0029518700000000, 0.0000139000000000, 0.0004610200000000 ] - [ 0.0029505500000000, 0.0000000000000000, 0.0002968800000000 ] - [ 0.0029518700000000, -0.0000139000000000, 0.0004610200000000 ] - [ -0.0002753600000000, 0.0000803700000000, 0.0008752600000000 ] - [ -0.0002816600000000, 0.0000000000000000, 0.0003038000000000 ] - [ -0.0002753600000000, -0.0000803700000000, 0.0008752600000000 ] - [ 0.0014318400000000, -0.0002238300000000, 0.0007540600000000 ] - [ 0.0014402000000000, 0.0000000000000000, 0.0001807200000000 ] - [ 0.0014318400000000, 0.0002238300000000, 0.0007540600000000 ] - [ 0.0003733400000000, -0.0000747400000000, 0.0024543400000000 ] - [ 0.0003746100000000, 0.0000000000000000, 0.0017332000000000 ] - [ 0.0003733400000000, 0.0000747400000000, 0.0024543400000000 ] - [ 0.0023550500000000, 0.0000013500000000, 0.0005589300000000 ] - [ 0.0023474600000000, 0.0000000000000000, 0.0004035400000000 ] - [ 0.0023550500000000, -0.0000013500000000, 0.0005589300000000 ] - [ -0.0001607000000000, -0.0000854900000000, 0.0009228500000000 ] - [ -0.0001522500000000, 0.0000000000000000, 0.0000842900000000 ] - [ -0.0001607000000000, 0.0000854900000000, 0.0009228500000000 ] - [ 0.0024524700000000, 0.0002408000000000, 0.0010739600000000 ] - [ 0.0024487500000000, 0.0000000000000000, 0.0005988200000000 ] - [ 0.0024524700000000, -0.0002408000000000, 0.0010739600000000 ] - [ 0.0024387500000000, -0.0001792500000000, 0.0010904000000000 ] - [ 0.0024142000000000, 0.0000000000000000, 0.0006358100000000 ] - [ 0.0024387500000000, 0.0001792500000000, 0.0010904000000000 ] - [ 0.0001401200000000, 0.0000000000000000, -0.0024572000000000 ] - [ 0.0047459000000000, 0.0029463800000000, -0.0044752900000000 ] - [ 0.0047459000000000, -0.0029463800000000, -0.0044752900000000 ] - [ 0.0045811600000000, 0.0000000000000000, -0.0023365400000000 ] - [ 0.0045908200000000, 0.0006165100000000, -0.0027400100000000 ] - [ 0.0045908200000000, -0.0006165100000000, -0.0027400100000000 ] - [ 0.0025664300000000, 0.0000000000000000, -0.0060320400000000 ] - [ 0.0043543400000000, -0.0025890000000000, -0.0040050600000000 ] - [ 0.0043543400000000, 0.0025890000000000, -0.0040050600000000 ] - [ 0.0069591200000000, 0.0000000000000000, 0.0001424600000000 ] - [ 0.0069552100000000, -0.0000110100000000, 0.0000645700000000 ] - [ 0.0069552100000000, 0.0000110100000000, 0.0000645700000000 ] - [ 0.0094616000000000, 0.0000000000000000, -0.0043542300000000 ] - [ 0.0052841600000000, 0.0024550400000000, -0.0053458400000000 ] - [ 0.0052841600000000, -0.0024550400000000, -0.0053458400000000 ] - [ 0.0053352700000000, 0.0000000000000000, -0.0029540200000000 ] - [ 0.0052500500000000, 0.0006263800000000, -0.0033520100000000 ] - [ 0.0052500500000000, -0.0006263800000000, -0.0033520100000000 ] - [ 0.0068510700000000, 0.0000000000000000, 0.0050965900000000 ] - [ 0.0068520100000000, -0.0000125800000000, 0.0050316900000000 ] - [ 0.0068520100000000, 0.0000125800000000, 0.0050316900000000 ] - [ 0.0001945000000000, 0.0000000000000000, -0.0019187900000000 ] - [ 0.0002851300000000, 0.0007721900000000, -0.0002283800000000 ] - [ 0.0002851300000000, -0.0007721900000000, -0.0002283800000000 ] - [ -0.0018128200000000, 0.0000000000000000, 0.0505835600000000 ] - [ -0.0002868200000000, -0.0001071300000000, 0.0044203000000000 ] - [ -0.0002868200000000, 0.0001071300000000, 0.0044203000000000 ] - [ -0.0004990200000000, 0.0000000000000000, -0.0091109700000000 ] - [ -0.0004942000000000, -0.0013518400000000, -0.0011558800000000 ] - [ -0.0004942000000000, 0.0013518400000000, -0.0011558800000000 ] - [ 0.0000469700000000, 0.0000000000000000, 0.0074009900000000 ] - [ -0.0000023900000000, -0.0001005300000000, 0.0029663100000000 ] - [ -0.0000023900000000, 0.0001005300000000, 0.0029663100000000 ] - [ -0.0005439600000000, 0.0000000000000000, -0.0019644500000000 ] - [ -0.0005312500000000, -0.0006304400000000, -0.0002729300000000 ] - [ -0.0005312500000000, 0.0006304400000000, -0.0002729300000000 ] - [ 0.0000919500000000, 0.0000000000000000, -0.0011586400000000 ] - [ 0.0000902100000000, -0.0001203300000000, -0.0009386600000000 ] - [ 0.0000902100000000, 0.0001203300000000, -0.0009386600000000 ] - [ -0.0006132600000000, 0.0000000000000000, -0.0012281600000000 ] - [ -0.0006102400000000, -0.0001225800000000, -0.0010254700000000 ] - [ -0.0006102400000000, 0.0001225800000000, -0.0010254700000000 ] - [ -0.0091565300000000, 0.0000043500000000, -0.0068527100000000 ] - [ -0.0092230400000000, 0.0000000000000000, -0.0061386200000000 ] - [ -0.0091565300000000, -0.0000043500000000, -0.0068527100000000 ] - [ -0.0109874000000000, 0.0008072100000000, 0.0007488600000000 ] - [ -0.0110158600000000, 0.0000000000000000, 0.0032093200000000 ] - [ -0.0109874000000000, -0.0008072100000000, 0.0007488600000000 ] - [ -0.0037135600000000, 0.0008187900000000, 0.0044333400000000 ] - [ -0.0036578800000000, 0.0000000000000000, 0.0066151800000000 ] - [ -0.0037135600000000, -0.0008187900000000, 0.0044333400000000 ] - [ -0.0194176900000000, 0.0139584700000000, 0.0059251600000000 ] - [ -0.0056495900000000, 0.0000000000000000, 0.0073933200000000 ] - [ -0.0194176900000000, -0.0139584700000000, 0.0059251600000000 ] - [ -0.0163858000000000, -0.0130790100000000, 0.0073778900000000 ] - [ -0.0062951400000000, 0.0000000000000000, 0.0086307700000000 ] - [ -0.0163858000000000, 0.0130790100000000, 0.0073778900000000 ] - [ 0.0050806200000000, -0.0129422000000000, 0.0064393200000000 ] - [ -0.0075784100000000, 0.0000000000000000, 0.0077193200000000 ] - [ 0.0050806200000000, 0.0129422000000000, 0.0064393200000000 ] - [ 0.0042977900000000, 0.0141291900000000, 0.0058161400000000 ] - [ -0.0067930800000000, 0.0000000000000000, 0.0062567500000000 ] - [ 0.0042977900000000, -0.0141291900000000, 0.0058161400000000 ] - [ -0.0068901100000000, -0.0006215300000000, 0.0011503600000000 ] - [ -0.0068464900000000, 0.0000000000000000, 0.0031609100000000 ] - [ -0.0068901100000000, 0.0006215300000000, 0.0011503600000000 ] - [ -0.0089496000000000, 0.0000023100000000, -0.0007422400000000 ] - [ -0.0088974200000000, 0.0000000000000000, -0.0000358800000000 ] - [ -0.0089496000000000, -0.0000023100000000, -0.0007422400000000 ] - [ -0.0072060200000000, -0.0006323500000000, 0.0020669300000000 ] - [ -0.0071396400000000, 0.0000000000000000, 0.0039207900000000 ] - [ -0.0072060200000000, 0.0006323500000000, 0.0020669300000000 ]- atom: 106 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0006056600000000, 0.0000000000000000, -0.0000639900000000 ] - [ -0.0005972000000000, -0.0000020900000000, -0.0000651000000000 ] - [ -0.0005972000000000, 0.0000020900000000, -0.0000651000000000 ] - [ -0.0002164400000000, 0.0000000000000000, 0.0000434400000000 ] - [ -0.0002087400000000, -0.0000008700000000, 0.0000458600000000 ] - [ -0.0002087400000000, 0.0000008700000000, 0.0000458600000000 ] - [ -0.0000848300000000, 0.0000000000000000, 0.0003012800000000 ] - [ -0.0000911600000000, 0.0000004700000000, 0.0003039600000000 ] - [ -0.0000911600000000, -0.0000004700000000, 0.0003039600000000 ] - [ 0.0044274300000000, 0.0000000000000000, -0.0039351000000000 ] - [ 0.0044253300000000, 0.0002254100000000, -0.0039432100000000 ] - [ 0.0044253300000000, -0.0002254100000000, -0.0039432100000000 ] - [ 0.0096216600000000, 0.0000000000000000, -0.0034415600000000 ] - [ 0.0096214500000000, 0.0000093900000000, -0.0034423400000000 ] - [ 0.0096214500000000, -0.0000093900000000, -0.0034423400000000 ] - [ 0.0013762000000000, 0.0000000000000000, -0.0072106700000000 ] - [ 0.0013767800000000, -0.0000078600000000, -0.0072083000000000 ] - [ 0.0013767800000000, 0.0000078600000000, -0.0072083000000000 ] - [ -0.0007048000000000, 0.0009141300000000, -0.0038433700000000 ] - [ -0.0006573700000000, 0.0000000000000000, -0.0018342700000000 ] - [ -0.0007048000000000, -0.0009141300000000, -0.0038433700000000 ] - [ 0.0025080100000000, 0.0000003200000000, 0.0002636700000000 ] - [ 0.0022606300000000, 0.0000000000000000, 0.0002496400000000 ] - [ 0.0025080100000000, -0.0000003200000000, 0.0002636700000000 ] - [ -0.0003266200000000, -0.0000265000000000, -0.0017018200000000 ] - [ -0.0003363800000000, 0.0000000000000000, -0.0018039000000000 ] - [ -0.0003266200000000, 0.0000265000000000, -0.0017018200000000 ] - [ 0.0014387400000000, 0.0000060300000000, 0.0000530600000000 ] - [ 0.0016813300000000, 0.0000000000000000, 0.0000697700000000 ] - [ 0.0014387400000000, -0.0000060300000000, 0.0000530600000000 ] - [ -0.0001656900000000, 0.0000243500000000, -0.0015556300000000 ] - [ -0.0001096500000000, 0.0000000000000000, -0.0014535800000000 ] - [ -0.0001656900000000, -0.0000243500000000, -0.0015556300000000 ] - [ 0.0105143000000000, 0.0004274500000000, -0.0004401900000000 ] - [ 0.0031589300000000, 0.0000000000000000, -0.0000701400000000 ] - [ 0.0105143000000000, -0.0004274500000000, -0.0004401900000000 ] - [ 0.0008689100000000, -0.0009746400000000, 0.0014046400000000 ] - [ 0.0004385200000000, 0.0000000000000000, -0.0006220500000000 ] - [ 0.0008689100000000, 0.0009746400000000, 0.0014046400000000 ] - [ -0.0008552200000000, 0.0008043200000000, 0.0003717400000000 ] - [ -0.0006164900000000, 0.0000000000000000, -0.0014183600000000 ] - [ -0.0008552200000000, -0.0008043200000000, 0.0003717400000000 ] - [ 0.0102801700000000, 0.0004059000000000, 0.0009928100000000 ] - [ 0.0034701100000000, 0.0000000000000000, 0.0005292800000000 ] - [ 0.0102801700000000, -0.0004059000000000, 0.0009928100000000 ] - [ 0.0002153800000000, -0.0032104400000000, -0.0025342000000000 ] - [ -0.0004139400000000, 0.0000000000000000, -0.0009785600000000 ] - [ 0.0002153800000000, 0.0032104400000000, -0.0025342000000000 ] - [ -0.0023614100000000, -0.0001652100000000, 0.0005534400000000 ] - [ 0.0017656300000000, 0.0000000000000000, 0.0004394400000000 ] - [ -0.0023614100000000, 0.0001652100000000, 0.0005534400000000 ] - [ -0.0018088300000000, 0.0049744900000000, -0.0000603200000000 ] - [ 0.0001000100000000, 0.0000000000000000, -0.0016573700000000 ] - [ -0.0018088300000000, -0.0049744900000000, -0.0000603200000000 ] - [ 0.0035286800000000, 0.0000126300000000, -0.0003345200000000 ] - [ 0.0032727100000000, 0.0000000000000000, -0.0003268500000000 ] - [ 0.0035286800000000, -0.0000126300000000, -0.0003345200000000 ] - [ -0.0001874300000000, -0.0008386000000000, -0.0038272300000000 ] - [ -0.0002992300000000, 0.0000000000000000, -0.0020684000000000 ] - [ -0.0001874300000000, 0.0008386000000000, -0.0038272300000000 ] - [ 0.0015675100000000, 0.0000008400000000, -0.0001812200000000 ] - [ 0.0015387500000000, 0.0000000000000000, -0.0001776000000000 ] - [ 0.0015675100000000, -0.0000008400000000, -0.0001812200000000 ] - [ 0.0005310100000000, -0.0000326400000000, -0.0007738000000000 ] - [ 0.0004661400000000, 0.0000000000000000, -0.0006262300000000 ] - [ 0.0005310100000000, 0.0000326400000000, -0.0007738000000000 ] - [ 0.0018855500000000, 0.0000060500000000, -0.0001796300000000 ] - [ 0.0020691800000000, 0.0000000000000000, -0.0001803100000000 ] - [ 0.0018855500000000, -0.0000060500000000, -0.0001796300000000 ] - [ -0.0001356200000000, 0.0000263300000000, -0.0017684900000000 ] - [ -0.0001234100000000, 0.0000000000000000, -0.0018755500000000 ] - [ -0.0001356200000000, -0.0000263300000000, -0.0017684900000000 ] - [ -0.0035637300000000, -0.0001326100000000, 0.0000497500000000 ] - [ 0.0014139200000000, 0.0000000000000000, 0.0001707800000000 ] - [ -0.0035637300000000, 0.0001326100000000, 0.0000497500000000 ] - [ 0.0022683200000000, -0.0000000900000000, 0.0002623400000000 ] - [ 0.0022961500000000, 0.0000000000000000, 0.0002668900000000 ] - [ 0.0022683200000000, 0.0000000900000000, 0.0002623400000000 ] - [ 0.0038270400000000, 0.0000000000000000, -0.0082785500000000 ] - [ 0.0053145700000000, 0.0019245000000000, -0.0042301500000000 ] - [ 0.0053145700000000, -0.0019245000000000, -0.0042301500000000 ] - [ 0.0020511100000000, 0.0000000000000000, 0.0020460000000000 ] - [ 0.0044578700000000, 0.0022777600000000, -0.0024465800000000 ] - [ 0.0044578700000000, -0.0022777600000000, -0.0024465800000000 ] - [ 0.0049359800000000, 0.0000000000000000, -0.0023345900000000 ] - [ 0.0049543700000000, -0.0002291500000000, -0.0023205700000000 ] - [ 0.0049543700000000, 0.0002291500000000, -0.0023205700000000 ] - [ 0.0069096800000000, 0.0000000000000000, -0.0004677900000000 ] - [ 0.0069088000000000, 0.0002359600000000, -0.0004446100000000 ] - [ 0.0069088000000000, -0.0002359600000000, -0.0004446100000000 ] - [ 0.0058461000000000, 0.0000000000000000, -0.0014543000000000 ] - [ 0.0050631500000000, -0.0020077300000000, -0.0034791400000000 ] - [ 0.0050631500000000, 0.0020077300000000, -0.0034791400000000 ] - [ 0.0046944200000000, 0.0000000000000000, -0.0084602800000000 ] - [ 0.0055652800000000, -0.0024402000000000, -0.0050414000000000 ] - [ 0.0055652800000000, 0.0024402000000000, -0.0050414000000000 ] - [ 0.0069343700000000, 0.0000000000000000, 0.0041674500000000 ] - [ 0.0069431400000000, -0.0002213400000000, 0.0041251200000000 ] - [ 0.0069431400000000, 0.0002213400000000, 0.0041251200000000 ] - [ 0.0006177100000000, 0.0000000000000000, 0.0000929500000000 ] - [ 0.0005953800000000, 0.0000019100000000, 0.0000905700000000 ] - [ 0.0005953800000000, -0.0000019100000000, 0.0000905700000000 ] - [ -0.0030888100000000, 0.0000000000000000, 0.0002058100000000 ] - [ -0.0010518700000000, -0.0001011200000000, 0.0001892600000000 ] - [ -0.0010518700000000, 0.0001011200000000, 0.0001892600000000 ] - [ -0.0540894200000000, 0.0000000000000000, 0.0004767400000000 ] - [ -0.0032353200000000, -0.0001444100000000, -0.0002125700000000 ] - [ -0.0032353200000000, 0.0001444100000000, -0.0002125700000000 ] - [ 0.0023730700000000, 0.0000000000000000, 0.0000203500000000 ] - [ 0.0006317600000000, 0.0000445400000000, -0.0000193800000000 ] - [ 0.0006317600000000, -0.0000445400000000, -0.0000193800000000 ] - [ 0.0180062600000000, 0.0000000000000000, 0.0000123400000000 ] - [ 0.0019166200000000, 0.0000653700000000, 0.0000297900000000 ] - [ 0.0019166200000000, -0.0000653700000000, 0.0000297900000000 ] - [ -0.0026932000000000, 0.0000000000000000, -0.0002884500000000 ] - [ -0.0006081800000000, -0.0001236200000000, -0.0000496400000000 ] - [ -0.0006081800000000, 0.0001236200000000, -0.0000496400000000 ] - [ 0.0020207200000000, 0.0000000000000000, -0.0000534000000000 ] - [ 0.0001518400000000, 0.0000577100000000, -0.0000516900000000 ] - [ 0.0001518400000000, -0.0000577100000000, -0.0000516900000000 ] - [ -0.0097071000000000, 0.0000841100000000, -0.0019317400000000 ] - [ -0.0095539800000000, 0.0000000000000000, -0.0028017600000000 ] - [ -0.0097071000000000, -0.0000841100000000, -0.0019317400000000 ] - [ -0.0111766300000000, -0.0000097200000000, 0.0051487700000000 ] - [ -0.0111805400000000, 0.0000000000000000, 0.0051428900000000 ] - [ -0.0111766300000000, 0.0000097200000000, 0.0051487700000000 ] - [ -0.0034760500000000, 0.0000104100000000, 0.0085068800000000 ] - [ -0.0034717000000000, 0.0000000000000000, 0.0084848700000000 ] - [ -0.0034760500000000, -0.0000104100000000, 0.0085068800000000 ] - [ -0.0059418400000000, -0.0000776200000000, 0.0061491100000000 ] - [ -0.0059691600000000, 0.0000000000000000, 0.0052812800000000 ] - [ -0.0059418400000000, 0.0000776200000000, 0.0061491100000000 ] - [ -0.0029881200000000, 0.0131322500000000, -0.0064185800000000 ] - [ -0.0064065500000000, 0.0000000000000000, 0.0054311600000000 ] - [ -0.0029881200000000, -0.0131322500000000, -0.0064185800000000 ] - [ -0.0040913100000000, -0.0130213800000000, 0.0169625300000000 ] - [ -0.0075916600000000, 0.0000000000000000, 0.0050294000000000 ] - [ -0.0040913100000000, 0.0130213800000000, 0.0169625300000000 ] - [ -0.0066511600000000, 0.0000764900000000, 0.0022810100000000 ] - [ -0.0067335000000000, 0.0000000000000000, 0.0032001600000000 ] - [ -0.0066511600000000, -0.0000764900000000, 0.0022810100000000 ] - [ -0.0026889400000000, -0.0124197200000000, -0.0090866000000000 ] - [ -0.0069358600000000, 0.0000000000000000, 0.0043829900000000 ] - [ -0.0026889400000000, 0.0124197200000000, -0.0090866000000000 ] - [ -0.0089111700000000, -0.0000927800000000, 0.0012521000000000 ] - [ -0.0088172600000000, 0.0000000000000000, 0.0020871600000000 ] - [ -0.0089111700000000, 0.0000927800000000, 0.0012521000000000 ] - [ -0.0023352100000000, 0.0125840500000000, 0.0187809000000000 ] - [ -0.0069058000000000, 0.0000000000000000, 0.0053010200000000 ] - [ -0.0023352100000000, -0.0125840500000000, 0.0187809000000000 ]- atom: 106 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0004660800000000, 0.0000000000000000, -0.0000658700000000 ] - [ -0.0004738400000000, 0.0000018400000000, -0.0000662900000000 ] - [ -0.0004738400000000, -0.0000018400000000, -0.0000662900000000 ] - [ -0.0000486100000000, 0.0000000000000000, 0.0000732200000000 ] - [ -0.0000559600000000, 0.0000008700000000, 0.0000707600000000 ] - [ -0.0000559600000000, -0.0000008700000000, 0.0000707600000000 ] - [ -0.0002266500000000, 0.0000000000000000, 0.0003202200000000 ] - [ -0.0002199700000000, -0.0000004800000000, 0.0003173500000000 ] - [ -0.0002199700000000, 0.0000004800000000, 0.0003173500000000 ] - [ 0.0045468700000000, 0.0000000000000000, -0.0034645100000000 ] - [ 0.0045490900000000, -0.0002235300000000, -0.0034560100000000 ] - [ 0.0045490900000000, 0.0002235300000000, -0.0034560100000000 ] - [ 0.0096514100000000, 0.0000000000000000, -0.0034475800000000 ] - [ 0.0096511200000000, -0.0000090900000000, -0.0034466400000000 ] - [ 0.0096511200000000, 0.0000090900000000, -0.0034466400000000 ] - [ 0.0013822000000000, 0.0000000000000000, -0.0072191500000000 ] - [ 0.0013815100000000, 0.0000083200000000, -0.0072214400000000 ] - [ 0.0013815100000000, -0.0000083200000000, -0.0072214400000000 ] - [ -0.0005947700000000, -0.0009188700000000, 0.0012391200000000 ] - [ -0.0006368900000000, 0.0000000000000000, -0.0007687300000000 ] - [ -0.0005947700000000, 0.0009188700000000, 0.0012391200000000 ] - [ 0.0014337700000000, -0.0000001200000000, 0.0002484700000000 ] - [ 0.0016759400000000, 0.0000000000000000, 0.0002625900000000 ] - [ 0.0014337700000000, 0.0000001200000000, 0.0002484700000000 ] - [ -0.0003113100000000, 0.0000265400000000, -0.0022545000000000 ] - [ -0.0003013300000000, 0.0000000000000000, -0.0021525000000000 ] - [ -0.0003113100000000, -0.0000265400000000, -0.0022545000000000 ] - [ 0.0024540400000000, -0.0000057700000000, 0.0000561600000000 ] - [ 0.0022142400000000, 0.0000000000000000, 0.0000405000000000 ] - [ 0.0024540400000000, 0.0000057700000000, 0.0000561600000000 ] - [ 0.0000655800000000, -0.0000245300000000, -0.0011005100000000 ] - [ 0.0000100600000000, 0.0000000000000000, -0.0011998300000000 ] - [ 0.0000655800000000, 0.0000245300000000, -0.0011005100000000 ] - [ -0.0059772000000000, -0.0004116800000000, 0.0002369500000000 ] - [ 0.0014011300000000, 0.0000000000000000, -0.0001139900000000 ] - [ -0.0059772000000000, 0.0004116800000000, 0.0002369500000000 ] - [ -0.0001766700000000, 0.0009715400000000, -0.0038668000000000 ] - [ 0.0002497400000000, 0.0000000000000000, -0.0018442600000000 ] - [ -0.0001766700000000, -0.0009715400000000, -0.0038668000000000 ] - [ -0.0001585100000000, -0.0008085400000000, -0.0042674800000000 ] - [ -0.0003946500000000, 0.0000000000000000, -0.0024739500000000 ] - [ -0.0001585100000000, 0.0008085400000000, -0.0042674800000000 ] - [ -0.0053320400000000, -0.0003851100000000, 0.0001030100000000 ] - [ 0.0014949700000000, 0.0000000000000000, 0.0005499800000000 ] - [ -0.0053320400000000, 0.0003851100000000, 0.0001030100000000 ] - [ -0.0009681500000000, 0.0033561500000000, 0.0002218300000000 ] - [ -0.0005415700000000, 0.0000000000000000, -0.0013335200000000 ] - [ -0.0009681500000000, -0.0033561500000000, 0.0002218300000000 ] - [ 0.0075772900000000, 0.0001536000000000, 0.0003429600000000 ] - [ 0.0034433400000000, 0.0000000000000000, 0.0004444000000000 ] - [ 0.0075772900000000, -0.0001536000000000, 0.0003429600000000 ] - [ 0.0019278700000000, -0.0049003200000000, -0.0029630700000000 ] - [ 0.0001640600000000, 0.0000000000000000, -0.0013595500000000 ] - [ 0.0019278700000000, 0.0049003200000000, -0.0029630700000000 ] - [ 0.0023421000000000, -0.0000123200000000, -0.0003658100000000 ] - [ 0.0025981400000000, 0.0000000000000000, -0.0003728200000000 ] - [ 0.0023421000000000, 0.0000123200000000, -0.0003658100000000 ] - [ -0.0003728000000000, 0.0008355500000000, 0.0009906800000000 ] - [ -0.0002636600000000, 0.0000000000000000, -0.0007630500000000 ] - [ -0.0003728000000000, -0.0008355500000000, 0.0009906800000000 ] - [ 0.0012635100000000, -0.0000008000000000, -0.0001835000000000 ] - [ 0.0012922200000000, 0.0000000000000000, -0.0001871300000000 ] - [ 0.0012635100000000, 0.0000008000000000, -0.0001835000000000 ] - [ 0.0003064900000000, 0.0000325500000000, -0.0001369100000000 ] - [ 0.0003713900000000, 0.0000000000000000, -0.0002839600000000 ] - [ 0.0003064900000000, -0.0000325500000000, -0.0001369100000000 ] - [ 0.0028129300000000, -0.0000057100000000, -0.0001520400000000 ] - [ 0.0026291600000000, 0.0000000000000000, -0.0001516400000000 ] - [ 0.0028129300000000, 0.0000057100000000, -0.0001520400000000 ] - [ -0.0001153100000000, -0.0000263400000000, -0.0023574700000000 ] - [ -0.0001276000000000, 0.0000000000000000, -0.0022498800000000 ] - [ -0.0001153100000000, 0.0000263400000000, -0.0023574700000000 ] - [ 0.0084301300000000, 0.0001201700000000, 0.0003120700000000 ] - [ 0.0034456900000000, 0.0000000000000000, 0.0002018200000000 ] - [ 0.0084301300000000, -0.0001201700000000, 0.0003120700000000 ] - [ 0.0025584100000000, 0.0000002300000000, 0.0002606600000000 ] - [ 0.0025306000000000, 0.0000000000000000, 0.0002561000000000 ] - [ 0.0025584100000000, -0.0000002300000000, 0.0002606600000000 ] - [ 0.0070550800000000, 0.0000000000000000, 0.0012477000000000 ] - [ 0.0057344700000000, -0.0019235500000000, -0.0027003300000000 ] - [ 0.0057344700000000, 0.0019235500000000, -0.0027003300000000 ] - [ 0.0071291100000000, 0.0000000000000000, -0.0088140800000000 ] - [ 0.0048381200000000, -0.0022815100000000, -0.0043712200000000 ] - [ 0.0048381200000000, 0.0022815100000000, -0.0043712200000000 ] - [ 0.0049577000000000, 0.0000000000000000, -0.0028246400000000 ] - [ 0.0049398600000000, 0.0002292700000000, -0.0028387600000000 ] - [ 0.0049398600000000, -0.0002292700000000, -0.0028387600000000 ] - [ 0.0069359400000000, 0.0000000000000000, -0.0008774900000000 ] - [ 0.0069364100000000, -0.0002365500000000, -0.0009007200000000 ] - [ 0.0069364100000000, 0.0002365500000000, -0.0009007200000000 ] - [ 0.0038318400000000, 0.0000000000000000, -0.0073888800000000 ] - [ 0.0043812800000000, 0.0020047600000000, -0.0051865000000000 ] - [ 0.0043812800000000, -0.0020047600000000, -0.0051865000000000 ] - [ 0.0058766700000000, 0.0000000000000000, 0.0005573000000000 ] - [ 0.0048430200000000, 0.0024351600000000, -0.0029605600000000 ] - [ 0.0048430200000000, -0.0024351600000000, -0.0029605600000000 ] - [ 0.0068200400000000, 0.0000000000000000, 0.0045649500000000 ] - [ 0.0068117300000000, 0.0002212700000000, 0.0046073800000000 ] - [ 0.0068117300000000, -0.0002212700000000, 0.0046073800000000 ] - [ 0.0002459400000000, 0.0000000000000000, 0.0001228000000000 ] - [ 0.0002675000000000, -0.0000017100000000, 0.0001258100000000 ] - [ 0.0002675000000000, 0.0000017100000000, 0.0001258100000000 ] - [ 0.0024803200000000, 0.0000000000000000, 0.0000008800000000 ] - [ 0.0004460600000000, 0.0000976900000000, -0.0000065700000000 ] - [ 0.0004460600000000, -0.0000976900000000, -0.0000065700000000 ] - [ 0.0530792800000000, 0.0000000000000000, -0.0006952000000000 ] - [ 0.0024421600000000, 0.0001160500000000, -0.0001281200000000 ] - [ 0.0024421600000000, -0.0001160500000000, -0.0001281200000000 ] - [ -0.0024448400000000, 0.0000000000000000, 0.0000724700000000 ] - [ -0.0007030200000000, -0.0000444400000000, 0.0001162700000000 ] - [ -0.0007030200000000, 0.0000444400000000, 0.0001162700000000 ] - [ -0.0191737100000000, 0.0000000000000000, 0.0000634200000000 ] - [ -0.0030799700000000, -0.0000609100000000, 0.0000481900000000 ] - [ -0.0030799700000000, 0.0000609100000000, 0.0000481900000000 ] - [ 0.0028743900000000, 0.0000000000000000, 0.0003156300000000 ] - [ 0.0007888500000000, 0.0001204800000000, 0.0001046700000000 ] - [ 0.0007888500000000, -0.0001204800000000, 0.0001046700000000 ] - [ -0.0032375600000000, 0.0000000000000000, -0.0002638600000000 ] - [ -0.0013668400000000, -0.0000567000000000, -0.0002709300000000 ] - [ -0.0013668400000000, 0.0000567000000000, -0.0002709300000000 ] - [ -0.0091675300000000, -0.0000837000000000, -0.0046819200000000 ] - [ -0.0093206600000000, 0.0000000000000000, -0.0038139200000000 ] - [ -0.0091675300000000, 0.0000837000000000, -0.0046819200000000 ] - [ -0.0111861800000000, 0.0000091200000000, 0.0052242900000000 ] - [ -0.0111818200000000, 0.0000000000000000, 0.0052288900000000 ] - [ -0.0111861800000000, -0.0000091200000000, 0.0052242900000000 ] - [ -0.0034491300000000, -0.0000103900000000, 0.0084790100000000 ] - [ -0.0034538000000000, 0.0000000000000000, 0.0085015300000000 ] - [ -0.0034491300000000, 0.0000103900000000, 0.0084790100000000 ] - [ -0.0059974300000000, 0.0000753900000000, 0.0036840100000000 ] - [ -0.0059643800000000, 0.0000000000000000, 0.0045514000000000 ] - [ -0.0059974300000000, -0.0000753900000000, 0.0036840100000000 ] - [ -0.0098328200000000, -0.0130498700000000, 0.0178721500000000 ] - [ -0.0063818700000000, 0.0000000000000000, 0.0060927800000000 ] - [ -0.0098328200000000, 0.0130498700000000, 0.0178721500000000 ] - [ -0.0109040100000000, 0.0131140000000000, -0.0074986400000000 ] - [ -0.0074537600000000, 0.0000000000000000, 0.0045195200000000 ] - [ -0.0109040100000000, -0.0131140000000000, -0.0074986400000000 ] - [ -0.0068603800000000, -0.0000741900000000, 0.0049962900000000 ] - [ -0.0067810500000000, 0.0000000000000000, 0.0040764000000000 ] - [ -0.0068603800000000, 0.0000741900000000, 0.0049962900000000 ] - [ -0.0111929000000000, 0.0125070100000000, 0.0181425600000000 ] - [ -0.0069748900000000, 0.0000000000000000, 0.0045754400000000 ] - [ -0.0111929000000000, -0.0125070100000000, 0.0181425600000000 ] - [ -0.0086115000000000, 0.0000936500000000, 0.0037573500000000 ] - [ -0.0087046400000000, 0.0000000000000000, 0.0029219600000000 ] - [ -0.0086115000000000, -0.0000936500000000, 0.0037573500000000 ] - [ -0.0116821800000000, -0.0125026700000000, -0.0083937000000000 ] - [ -0.0070931600000000, 0.0000000000000000, 0.0050049200000000 ] - [ -0.0116821800000000, 0.0125026700000000, -0.0083937000000000 ]- atom: 106 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005359400000000, -0.0002033500000000, -0.0000658400000000 ] - [ -0.0005322200000000, 0.0001013900000000, -0.0001304500000000 ] - [ -0.0005388300000000, 0.0001017000000000, 0.0000005100000000 ] - [ -0.0001326700000000, -0.0002062600000000, 0.0000595400000000 ] - [ -0.0001326000000000, 0.0001035500000000, 0.0001174500000000 ] - [ -0.0001323100000000, 0.0001035800000000, 0.0000008600000000 ] - [ -0.0001564200000000, -0.0001984400000000, 0.0003115200000000 ] - [ -0.0001548300000000, 0.0000997500000000, 0.0003702800000000 ] - [ -0.0001577000000000, 0.0000998200000000, 0.0002525700000000 ] - [ 0.0044872800000000, 0.0014135800000000, -0.0037005300000000 ] - [ 0.0045001500000000, -0.0007006300000000, -0.0034002600000000 ] - [ 0.0044746200000000, -0.0007035300000000, -0.0039992100000000 ] - [ 0.0096361300000000, 0.0004982500000000, -0.0034443000000000 ] - [ 0.0096238000000000, -0.0002491400000000, -0.0034350400000000 ] - [ 0.0096485100000000, -0.0002494800000000, -0.0034536100000000 ] - [ 0.0013793900000000, 0.0005088900000000, -0.0072148900000000 ] - [ 0.0013816700000000, -0.0002546500000000, -0.0072090800000000 ] - [ 0.0013770900000000, -0.0002551900000000, -0.0072206400000000 ] - [ 0.0002912300000000, 0.0005869200000000, 0.0026449300000000 ] - [ -0.0006467700000000, -0.0010054600000000, -0.0013002000000000 ] - [ -0.0015806300000000, 0.0005823400000000, -0.0052457700000000 ] - [ 0.0019061200000000, 0.0002182000000000, 0.0007528700000000 ] - [ 0.0019689700000000, -0.0004399900000000, 0.0002568300000000 ] - [ 0.0020353400000000, 0.0002177400000000, -0.0002391200000000 ] - [ -0.0003480500000000, 0.0000995800000000, -0.0014768400000000 ] - [ -0.0003186100000000, -0.0002000400000000, -0.0019779000000000 ] - [ -0.0002894800000000, 0.0000991600000000, -0.0024791800000000 ] - [ 0.0020112200000000, 0.0001995100000000, 0.0006514800000000 ] - [ 0.0019475200000000, -0.0004070300000000, 0.0000553800000000 ] - [ 0.0018828600000000, 0.0001982500000000, -0.0005407700000000 ] - [ 0.0000493500000000, 0.0001063500000000, -0.0008209100000000 ] - [ -0.0000497200000000, -0.0002132300000000, -0.0013269400000000 ] - [ -0.0001494900000000, 0.0001062700000000, -0.0018352300000000 ] - [ 0.0045339200000000, 0.0011071800000000, 0.0035122600000000 ] - [ 0.0022808100000000, -0.0018369800000000, -0.0000882700000000 ] - [ 0.0000277200000000, 0.0008868900000000, -0.0038530400000000 ] - [ -0.0002745800000000, 0.0005642000000000, 0.0020341300000000 ] - [ 0.0003437800000000, -0.0009768900000000, -0.0012323900000000 ] - [ 0.0009586700000000, 0.0005581000000000, -0.0045012900000000 ] - [ 0.0002276000000000, 0.0006162100000000, -0.0053789400000000 ] - [ -0.0005051900000000, -0.0010351100000000, -0.0019473300000000 ] - [ -0.0012345900000000, 0.0006111900000000, 0.0014839600000000 ] - [ 0.0041119600000000, -0.0012027000000000, -0.0053729800000000 ] - [ 0.0024827300000000, -0.0017560700000000, 0.0005369400000000 ] - [ 0.0008560400000000, -0.0013104900000000, 0.0064925600000000 ] - [ -0.0036641800000000, 0.0014991200000000, -0.0026670900000000 ] - [ -0.0004813200000000, -0.0019702200000000, -0.0011575500000000 ] - [ 0.0028750000000000, 0.0012719600000000, 0.0003501000000000 ] - [ 0.0025912700000000, 0.0009999200000000, 0.0021701500000000 ] - [ 0.0026052500000000, -0.0016047300000000, 0.0004419500000000 ] - [ 0.0026253500000000, 0.0009899300000000, -0.0012813300000000 ] - [ 0.0048468700000000, -0.0005168700000000, -0.0029778900000000 ] - [ 0.0001347700000000, -0.0019760000000000, -0.0015098000000000 ] - [ -0.0046603000000000, -0.0006582800000000, -0.0000498400000000 ] - [ 0.0028669900000000, 0.0002796300000000, -0.0008163000000000 ] - [ 0.0029354600000000, -0.0005922700000000, -0.0003507600000000 ] - [ 0.0030032300000000, 0.0002789700000000, 0.0001141400000000 ] - [ -0.0008665500000000, 0.0005955700000000, -0.0042573400000000 ] - [ -0.0002817200000000, -0.0009604500000000, -0.0014166900000000 ] - [ 0.0003003900000000, 0.0005900000000000, 0.0014247100000000 ] - [ 0.0014081200000000, 0.0000385400000000, -0.0001722800000000 ] - [ 0.0014155500000000, -0.0000765900000000, -0.0001821700000000 ] - [ 0.0014229100000000, 0.0000384700000000, -0.0001920600000000 ] - [ 0.0004788800000000, 0.0000858400000000, -0.0010476700000000 ] - [ 0.0004186400000000, -0.0001685000000000, -0.0004550400000000 ] - [ 0.0003580500000000, 0.0000855800000000, 0.0001377600000000 ] - [ 0.0023409100000000, 0.0001455400000000, -0.0006365200000000 ] - [ 0.0023492500000000, -0.0002987500000000, -0.0001660100000000 ] - [ 0.0023581400000000, 0.0001447000000000, 0.0003045500000000 ] - [ -0.0001270300000000, 0.0000917600000000, -0.0025909300000000 ] - [ -0.0001251700000000, -0.0001798400000000, -0.0020625100000000 ] - [ -0.0001232800000000, 0.0000914200000000, -0.0015345200000000 ] - [ 0.0020510100000000, 0.0009842200000000, -0.0019123900000000 ] - [ 0.0024303600000000, -0.0016151100000000, 0.0001856300000000 ] - [ 0.0028133600000000, 0.0009760200000000, 0.0022769300000000 ] - [ 0.0024170500000000, 0.0000463900000000, 0.0002622600000000 ] - [ 0.0024136200000000, -0.0000930500000000, 0.0002613900000000 ] - [ 0.0024101800000000, 0.0000462400000000, 0.0002605000000000 ] - [ 0.0055227300000000, 0.0111686900000000, -0.0034793900000000 ] - [ 0.0062636300000000, -0.0040821700000000, -0.0025395900000000 ] - [ 0.0047964900000000, -0.0040883800000000, -0.0043893100000000 ] - [ 0.0046419500000000, 0.0108267600000000, -0.0033986000000000 ] - [ 0.0052690700000000, -0.0042474000000000, -0.0043368800000000 ] - [ 0.0040364100000000, -0.0042531800000000, -0.0024812400000000 ] - [ 0.0049470400000000, 0.0013336400000000, -0.0025807200000000 ] - [ 0.0048781400000000, -0.0006610200000000, -0.0023179500000000 ] - [ 0.0050160700000000, -0.0006634200000000, -0.0028420300000000 ] - [ 0.0069232300000000, 0.0015053700000000, -0.0006719800000000 ] - [ 0.0069277700000000, -0.0007496800000000, -0.0009397700000000 ] - [ 0.0069182900000000, -0.0007508000000000, -0.0004054800000000 ] - [ 0.0047261500000000, 0.0105451600000000, -0.0043412300000000 ] - [ 0.0039484700000000, -0.0035429800000000, -0.0033037400000000 ] - [ 0.0054836500000000, -0.0035498900000000, -0.0053581300000000 ] - [ 0.0052145900000000, 0.0111528900000000, -0.0039931400000000 ] - [ 0.0045467700000000, -0.0039945800000000, -0.0049744300000000 ] - [ 0.0058508800000000, -0.0040018600000000, -0.0030299400000000 ] - [ 0.0068768100000000, 0.0013546000000000, 0.0043670900000000 ] - [ 0.0068342600000000, -0.0006721500000000, 0.0041419500000000 ] - [ 0.0069194100000000, -0.0006741400000000, 0.0045912400000000 ] - [ 0.0004314600000000, -0.0004496200000000, 0.0001075300000000 ] - [ 0.0004234400000000, 0.0002254700000000, -0.0000157500000000 ] - [ 0.0004389100000000, 0.0002257500000000, 0.0002311900000000 ] - [ -0.0003021100000000, -0.0035032900000000, 0.0001028300000000 ] - [ -0.0001799700000000, 0.0016311600000000, -0.0012655000000000 ] - [ -0.0004243400000000, 0.0016311000000000, 0.0014405900000000 ] - [ -0.0004746400000000, -0.0547078800000000, -0.0000490800000000 ] - [ -0.0002647000000000, 0.0099938300000000, -0.0002851900000000 ] - [ -0.0005252000000000, 0.0098682400000000, -0.0000548700000000 ] - [ -0.0000359000000000, -0.0018478600000000, 0.0000526200000000 ] - [ -0.0001268400000000, 0.0008941200000000, -0.0006241900000000 ] - [ 0.0000548900000000, 0.0008959800000000, 0.0007200100000000 ] - [ -0.0005802900000000, -0.0063055700000000, 0.0000386100000000 ] - [ -0.0006628700000000, 0.0028958800000000, -0.0000991600000000 ] - [ -0.0005014300000000, 0.0028960900000000, 0.0001777700000000 ] - [ 0.0000909500000000, -0.0036791500000000, 0.0000114300000000 ] - [ 0.0001266100000000, 0.0016416800000000, 0.0014842700000000 ] - [ 0.0000542600000000, 0.0016403800000000, -0.0014224200000000 ] - [ -0.0006083300000000, -0.0019084900000000, -0.0001657100000000 ] - [ -0.0006450200000000, 0.0009262200000000, 0.0005448500000000 ] - [ -0.0005699400000000, 0.0009272700000000, -0.0008681500000000 ] - [ -0.0095621000000000, -0.0006396600000000, -0.0013248600000000 ] - [ -0.0094369800000000, 0.0012779100000000, -0.0033071000000000 ] - [ -0.0093108300000000, -0.0006376700000000, -0.0052915500000000 ] - [ -0.0112085100000000, -0.0002142400000000, 0.0052164600000000 ] - [ -0.0111811800000000, 0.0004294700000000, 0.0051857700000000 ] - [ -0.0111542200000000, -0.0002136400000000, 0.0051563100000000 ] - [ -0.0034518300000000, -0.0002193700000000, 0.0085413500000000 ] - [ -0.0034628600000000, 0.0004427600000000, 0.0084928100000000 ] - [ -0.0034736200000000, -0.0002192600000000, 0.0084434900000000 ] - [ -0.0061079100000000, -0.0005881100000000, 0.0027565400000000 ] - [ -0.0059679200000000, 0.0011735500000000, 0.0049153400000000 ] - [ -0.0058330300000000, -0.0005843600000000, 0.0070743700000000 ] - [ 0.0044856900000000, 0.0006933300000000, -0.0072448900000000 ] - [ -0.0063925500000000, 0.0054026800000000, 0.0057597900000000 ] - [ -0.0172009900000000, 0.0007352400000000, 0.0187009100000000 ] - [ -0.0214680200000000, 0.0009255400000000, -0.0085010500000000 ] - [ -0.0075257300000000, 0.0058492600000000, 0.0047725100000000 ] - [ 0.0063274300000000, 0.0009508800000000, 0.0179685900000000 ] - [ -0.0066670700000000, -0.0005740700000000, 0.0017241600000000 ] - [ -0.0067571300000000, 0.0011499500000000, 0.0036373100000000 ] - [ -0.0068448000000000, -0.0005746100000000, 0.0055554500000000 ] - [ -0.0189083200000000, 0.0007873000000000, 0.0184715800000000 ] - [ -0.0069574900000000, 0.0060347900000000, 0.0044827700000000 ] - [ 0.0049136200000000, 0.0008156200000000, -0.0094244800000000 ] - [ -0.0086108100000000, -0.0006352700000000, 0.0046241400000000 ] - [ -0.0087615100000000, 0.0012673500000000, 0.0025055400000000 ] - [ -0.0089130600000000, -0.0006341100000000, 0.0003851700000000 ] - [ 0.0037116600000000, 0.0005782600000000, 0.0198108100000000 ] - [ -0.0069981100000000, 0.0058073300000000, 0.0051572300000000 ] - [ -0.0176374400000000, 0.0006133200000000, -0.0094193800000000 ]- atom: 106 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005480600000000, 0.0000000000000000, 0.0005330700000000 ] - [ -0.0005468800000000, -0.0000658000000000, 0.0004272000000000 ] - [ -0.0005468800000000, 0.0000658000000000, 0.0004272000000000 ] - [ -0.0001455800000000, 0.0000000000000000, 0.0006385600000000 ] - [ -0.0001432500000000, 0.0000634300000000, 0.0005440600000000 ] - [ -0.0001432500000000, -0.0000634300000000, 0.0005440600000000 ] - [ -0.0001437100000000, 0.0000000000000000, 0.0009272500000000 ] - [ -0.0001463600000000, 0.0000585900000000, 0.0008307500000000 ] - [ -0.0001463600000000, -0.0000585900000000, 0.0008307500000000 ] - [ 0.0043195900000000, 0.0000000000000000, -0.0048641500000000 ] - [ 0.0043609600000000, 0.0006806600000000, -0.0043668900000000 ] - [ 0.0043609600000000, -0.0006806600000000, -0.0043668900000000 ] - [ 0.0097497700000000, 0.0000000000000000, -0.0042060900000000 ] - [ 0.0097381300000000, 0.0000002400000000, -0.0041432700000000 ] - [ 0.0097381300000000, -0.0000002400000000, -0.0041432700000000 ] - [ 0.0012701300000000, 0.0000000000000000, -0.0079727600000000 ] - [ 0.0012797900000000, 0.0000044100000000, -0.0079108000000000 ] - [ 0.0012797900000000, -0.0000044100000000, -0.0079108000000000 ] - [ -0.0013719500000000, 0.0010319600000000, -0.0038000600000000 ] - [ -0.0006811000000000, 0.0000000000000000, -0.0011615900000000 ] - [ -0.0013719500000000, -0.0010319600000000, -0.0038000600000000 ] - [ 0.0019319400000000, 0.0003097300000000, -0.0006472700000000 ] - [ 0.0019182500000000, 0.0000000000000000, -0.0001732700000000 ] - [ 0.0019319400000000, -0.0003097300000000, -0.0006472700000000 ] - [ -0.0003544200000000, 0.0000862100000000, -0.0046837900000000 ] - [ -0.0003699900000000, 0.0000000000000000, -0.0040434500000000 ] - [ -0.0003544200000000, -0.0000862100000000, -0.0046837900000000 ] - [ 0.0018362900000000, 0.0002771800000000, -0.0009258800000000 ] - [ 0.0018995300000000, 0.0000000000000000, -0.0003891200000000 ] - [ 0.0018362900000000, -0.0002771800000000, -0.0009258800000000 ] - [ -0.0000847300000000, 0.0000901300000000, -0.0040086800000000 ] - [ -0.0000327100000000, 0.0000000000000000, -0.0033625600000000 ] - [ -0.0000847300000000, -0.0000901300000000, -0.0040086800000000 ] - [ 0.0004011800000000, 0.0037834000000000, 0.0020981800000000 ] - [ 0.0025207200000000, 0.0000000000000000, 0.0009605900000000 ] - [ 0.0004011800000000, -0.0037834000000000, 0.0020981800000000 ] - [ 0.0011357600000000, 0.0011178100000000, -0.0032223300000000 ] - [ 0.0005198100000000, 0.0000000000000000, -0.0010326000000000 ] - [ 0.0011357600000000, -0.0011178100000000, -0.0032223300000000 ] - [ 0.0000619600000000, -0.0009589600000000, -0.0042119800000000 ] - [ -0.0005390400000000, 0.0000000000000000, -0.0019424800000000 ] - [ 0.0000619600000000, 0.0009589600000000, -0.0042119800000000 ] - [ 0.0044096900000000, -0.0058979000000000, -0.0006085100000000 ] - [ 0.0023620500000000, 0.0000000000000000, 0.0014172200000000 ] - [ 0.0044096900000000, 0.0058979000000000, -0.0006085100000000 ] - [ -0.0008254800000000, -0.0003685000000000, 0.0114038900000000 ] - [ -0.0004027000000000, 0.0000000000000000, 0.0027976300000000 ] - [ -0.0008254800000000, 0.0003685000000000, 0.0114038900000000 ] - [ 0.0028394000000000, 0.0019770500000000, 0.0023448500000000 ] - [ 0.0025885700000000, 0.0000000000000000, 0.0013670600000000 ] - [ 0.0028394000000000, -0.0019770500000000, 0.0023448500000000 ] - [ 0.0005144000000000, -0.0003478000000000, 0.0113030500000000 ] - [ 0.0001198300000000, 0.0000000000000000, 0.0025849600000000 ] - [ 0.0005144000000000, 0.0003478000000000, 0.0113030500000000 ] - [ 0.0029073100000000, -0.0004009500000000, -0.0014135600000000 ] - [ 0.0029254800000000, 0.0000000000000000, -0.0009793000000000 ] - [ 0.0029073100000000, 0.0004009500000000, -0.0014135600000000 ] - [ -0.0008597000000000, -0.0009813000000000, -0.0034370900000000 ] - [ -0.0003231700000000, 0.0000000000000000, -0.0015016100000000 ] - [ -0.0008597000000000, 0.0009813000000000, -0.0034370900000000 ] - [ 0.0013287400000000, 0.0000058100000000, -0.0009151400000000 ] - [ 0.0013406500000000, 0.0000000000000000, -0.0007629400000000 ] - [ 0.0013287400000000, -0.0000058100000000, -0.0009151400000000 ] - [ 0.0004034900000000, -0.0000719200000000, -0.0034646300000000 ] - [ 0.0003834900000000, 0.0000000000000000, -0.0027721600000000 ] - [ 0.0004034900000000, 0.0000719200000000, -0.0034646300000000 ] - [ 0.0023620300000000, -0.0001901400000000, -0.0009742300000000 ] - [ 0.0023723400000000, 0.0000000000000000, -0.0005647500000000 ] - [ 0.0023620300000000, 0.0001901400000000, -0.0009742300000000 ] - [ -0.0000882500000000, -0.0000717400000000, -0.0050284000000000 ] - [ -0.0000848300000000, 0.0000000000000000, -0.0043757500000000 ] - [ -0.0000882500000000, 0.0000717400000000, -0.0050284000000000 ] - [ 0.0022781800000000, -0.0018526600000000, 0.0016110800000000 ] - [ 0.0025336400000000, 0.0000000000000000, 0.0010033800000000 ] - [ 0.0022781800000000, 0.0018526600000000, 0.0016110800000000 ] - [ 0.0024596600000000, 0.0000024700000000, -0.0005185700000000 ] - [ 0.0024545800000000, 0.0000000000000000, -0.0003621000000000 ] - [ 0.0024596600000000, -0.0000024700000000, -0.0005185700000000 ] - [ 0.0008183700000000, 0.0000000000000000, -0.0027922000000000 ] - [ 0.0046633100000000, 0.0031132700000000, -0.0019543400000000 ] - [ 0.0046633100000000, -0.0031132700000000, -0.0019543400000000 ] - [ 0.0098387700000000, 0.0000000000000000, -0.0039777300000000 ] - [ 0.0054420100000000, -0.0029791000000000, -0.0023734900000000 ] - [ 0.0054420100000000, 0.0029791000000000, -0.0023734900000000 ] - [ 0.0052068000000000, 0.0000000000000000, -0.0037111600000000 ] - [ 0.0050561300000000, 0.0006743800000000, -0.0032344500000000 ] - [ 0.0050561300000000, -0.0006743800000000, -0.0032344500000000 ] - [ 0.0069782800000000, 0.0000000000000000, -0.0017837000000000 ] - [ 0.0069644900000000, -0.0007029700000000, -0.0013386000000000 ] - [ 0.0069644900000000, 0.0007029700000000, -0.0013386000000000 ] - [ 0.0076379400000000, 0.0000000000000000, -0.0015817800000000 ] - [ 0.0053515400000000, 0.0025611800000000, -0.0028333000000000 ] - [ 0.0053515400000000, -0.0025611800000000, -0.0028333000000000 ] - [ 0.0008829500000000, 0.0000000000000000, -0.0032619900000000 ] - [ 0.0046328600000000, -0.0025809300000000, -0.0030150600000000 ] - [ 0.0046328600000000, 0.0025809300000000, -0.0030150600000000 ] - [ 0.0067880500000000, 0.0000000000000000, 0.0033890400000000 ] - [ 0.0068511200000000, -0.0006789300000000, 0.0037588900000000 ] - [ 0.0068511200000000, 0.0006789300000000, 0.0037588900000000 ] - [ 0.0004566700000000, 0.0000000000000000, 0.0012649600000000 ] - [ 0.0004524700000000, -0.0001427300000000, 0.0010538100000000 ] - [ 0.0004524700000000, 0.0001427300000000, 0.0010538100000000 ] - [ -0.0005044100000000, 0.0000000000000000, 0.0090311200000000 ] - [ -0.0004323600000000, -0.0013983600000000, 0.0010761600000000 ] - [ -0.0004323600000000, 0.0013983600000000, 0.0010761600000000 ] - [ 0.0001757400000000, 0.0000000000000000, -0.0548037400000000 ] - [ -0.0004342800000000, 0.0001007800000000, -0.0046590800000000 ] - [ -0.0004342800000000, -0.0001007800000000, -0.0046590800000000 ] - [ 0.0001458700000000, 0.0000000000000000, 0.0021474100000000 ] - [ 0.0000574900000000, -0.0007228600000000, 0.0003991500000000 ] - [ 0.0000574900000000, 0.0007228600000000, 0.0003991500000000 ] - [ -0.0006020200000000, 0.0000000000000000, -0.0073231000000000 ] - [ -0.0005778200000000, 0.0001986500000000, -0.0029166000000000 ] - [ -0.0005778200000000, -0.0001986500000000, -0.0029166000000000 ] - [ -0.0000537000000000, 0.0000000000000000, 0.0099691000000000 ] - [ 0.0001502600000000, 0.0014052200000000, 0.0010732100000000 ] - [ 0.0001502600000000, -0.0014052200000000, 0.0010732100000000 ] - [ -0.0006611200000000, 0.0000000000000000, 0.0017968900000000 ] - [ -0.0006770800000000, 0.0006700500000000, 0.0001362300000000 ] - [ -0.0006770800000000, -0.0006700500000000, 0.0001362300000000 ] - [ -0.0095291000000000, 0.0007627700000000, 0.0006277800000000 ] - [ -0.0094386900000000, 0.0000000000000000, -0.0013603600000000 ] - [ -0.0095291000000000, -0.0007627700000000, 0.0006277800000000 ] - [ -0.0115326900000000, -0.0000084600000000, 0.0090714600000000 ] - [ -0.0114737800000000, 0.0000000000000000, 0.0083374200000000 ] - [ -0.0115326900000000, 0.0000084600000000, 0.0090714600000000 ] - [ -0.0029875700000000, -0.0000091700000000, 0.0123800100000000 ] - [ -0.0030704200000000, 0.0000000000000000, 0.0116468000000000 ] - [ -0.0029875700000000, 0.0000091700000000, 0.0123800100000000 ] - [ -0.0055345300000000, -0.0006888200000000, 0.0083303900000000 ] - [ -0.0057055400000000, 0.0000000000000000, 0.0063321000000000 ] - [ -0.0055345300000000, 0.0006888200000000, 0.0083303900000000 ] - [ -0.0169496000000000, -0.0134416300000000, 0.0039908500000000 ] - [ -0.0064551100000000, 0.0000000000000000, 0.0028799900000000 ] - [ -0.0169496000000000, 0.0134416300000000, 0.0039908500000000 ] - [ 0.0052656900000000, -0.0132332300000000, 0.0036474600000000 ] - [ -0.0077171800000000, 0.0000000000000000, 0.0018492800000000 ] - [ 0.0052656900000000, 0.0132332300000000, 0.0036474600000000 ] - [ -0.0070346000000000, -0.0007000600000000, 0.0069508400000000 ] - [ -0.0069175700000000, 0.0000000000000000, 0.0050590400000000 ] - [ -0.0070346000000000, 0.0007000600000000, 0.0069508400000000 ] - [ -0.0195279000000000, 0.0130508500000000, 0.0026116400000000 ] - [ -0.0069318400000000, 0.0000000000000000, 0.0014801900000000 ] - [ -0.0195279000000000, -0.0130508500000000, 0.0026116400000000 ] - [ -0.0087093000000000, 0.0007183200000000, 0.0061213300000000 ] - [ -0.0088084200000000, 0.0000000000000000, 0.0042037900000000 ] - [ -0.0087093000000000, -0.0007183200000000, 0.0061213300000000 ] - [ 0.0034497900000000, 0.0135001000000000, 0.0034014700000000 ] - [ -0.0070735900000000, 0.0000000000000000, 0.0022701400000000 ] - [ 0.0034497900000000, -0.0135001000000000, 0.0034014700000000 ]- atom: 106 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005223200000000, 0.0000000000000000, -0.0006645500000000 ] - [ -0.0005240800000000, 0.0000658700000000, -0.0005590600000000 ] - [ -0.0005240800000000, -0.0000658700000000, -0.0005590600000000 ] - [ -0.0001192600000000, 0.0000000000000000, -0.0005204400000000 ] - [ -0.0001211900000000, -0.0000630500000000, -0.0004268400000000 ] - [ -0.0001211900000000, 0.0000630500000000, -0.0004268400000000 ] - [ -0.0001681100000000, 0.0000000000000000, -0.0003050500000000 ] - [ -0.0001653500000000, -0.0000583600000000, -0.0002086600000000 ] - [ -0.0001653500000000, 0.0000583600000000, -0.0002086600000000 ] - [ 0.0046577200000000, 0.0000000000000000, -0.0025336000000000 ] - [ 0.0046138300000000, -0.0006805400000000, -0.0030330200000000 ] - [ 0.0046138300000000, 0.0006805400000000, -0.0030330200000000 ] - [ 0.0095227200000000, 0.0000000000000000, -0.0026827100000000 ] - [ 0.0095344800000000, -0.0000006800000000, -0.0027458300000000 ] - [ 0.0095344800000000, 0.0000006800000000, -0.0027458300000000 ] - [ 0.0014884300000000, 0.0000000000000000, -0.0064572200000000 ] - [ 0.0014785900000000, -0.0000046900000000, -0.0065191900000000 ] - [ 0.0014785900000000, 0.0000046900000000, -0.0065191900000000 ] - [ 0.0000833400000000, -0.0010379200000000, 0.0011884900000000 ] - [ -0.0006126900000000, 0.0000000000000000, -0.0014441400000000 ] - [ 0.0000833400000000, 0.0010379200000000, 0.0011884900000000 ] - [ 0.0020109000000000, -0.0003129000000000, 0.0011620300000000 ] - [ 0.0020190400000000, 0.0000000000000000, 0.0006855300000000 ] - [ 0.0020109000000000, 0.0003129000000000, 0.0011620300000000 ] - [ -0.0002837100000000, -0.0000864900000000, 0.0007279600000000 ] - [ -0.0002677200000000, 0.0000000000000000, 0.0000866300000000 ] - [ -0.0002837100000000, 0.0000864900000000, 0.0007279600000000 ] - [ 0.0020574500000000, -0.0002773700000000, 0.0010354200000000 ] - [ 0.0019965700000000, 0.0000000000000000, 0.0004987200000000 ] - [ 0.0020574500000000, 0.0002773700000000, 0.0010354200000000 ] - [ -0.0000151100000000, -0.0000906800000000, 0.0013523200000000 ] - [ -0.0000667400000000, 0.0000000000000000, 0.0007081600000000 ] - [ -0.0000151100000000, 0.0000906800000000, 0.0013523200000000 ] - [ 0.0041567400000000, -0.0036303400000000, -0.0024840500000000 ] - [ 0.0020377900000000, 0.0000000000000000, -0.0011452100000000 ] - [ 0.0041567400000000, 0.0036303400000000, -0.0024840500000000 ] - [ -0.0004557700000000, -0.0011239800000000, 0.0007479700000000 ] - [ 0.0001676300000000, 0.0000000000000000, -0.0014379700000000 ] - [ -0.0004557700000000, 0.0011239800000000, 0.0007479700000000 ] - [ -0.0010669700000000, 0.0009548300000000, 0.0003266200000000 ] - [ -0.0004715800000000, 0.0000000000000000, -0.0019456800000000 ] - [ -0.0010669700000000, -0.0009548300000000, 0.0003266200000000 ] - [ 0.0005611600000000, 0.0059433400000000, 0.0018019400000000 ] - [ 0.0026015200000000, 0.0000000000000000, -0.0003374900000000 ] - [ 0.0005611600000000, -0.0059433400000000, 0.0018019400000000 ] - [ -0.0001149400000000, 0.0003770900000000, -0.0137047200000000 ] - [ -0.0005523400000000, 0.0000000000000000, -0.0051122200000000 ] - [ -0.0001149400000000, -0.0003770900000000, -0.0137047200000000 ] - [ 0.0023757100000000, -0.0019819800000000, -0.0014680500000000 ] - [ 0.0026218600000000, 0.0000000000000000, -0.0004846400000000 ] - [ 0.0023757100000000, 0.0019819800000000, -0.0014680500000000 ] - [ -0.0002607200000000, 0.0003642000000000, -0.0143133900000000 ] - [ 0.0001443300000000, 0.0000000000000000, -0.0056038900000000 ] - [ -0.0002607200000000, -0.0003642000000000, -0.0143133900000000 ] - [ 0.0029635100000000, 0.0003968300000000, 0.0007098600000000 ] - [ 0.0029449700000000, 0.0000000000000000, 0.0002794300000000 ] - [ 0.0029635100000000, -0.0003968300000000, 0.0007098600000000 ] - [ 0.0002907300000000, 0.0009767900000000, 0.0006115300000000 ] - [ -0.0002400100000000, 0.0000000000000000, -0.0013248500000000 ] - [ 0.0002907300000000, -0.0009767900000000, 0.0006115300000000 ] - [ 0.0015021400000000, -0.0000058500000000, 0.0005505100000000 ] - [ 0.0014902100000000, 0.0000000000000000, 0.0003982400000000 ] - [ 0.0015021400000000, 0.0000058500000000, 0.0005505100000000 ] - [ 0.0004332300000000, 0.0000716000000000, 0.0025546500000000 ] - [ 0.0004537500000000, 0.0000000000000000, 0.0018632600000000 ] - [ 0.0004332300000000, -0.0000716000000000, 0.0025546500000000 ] - [ 0.0023361400000000, 0.0001898800000000, 0.0006429000000000 ] - [ 0.0023260000000000, 0.0000000000000000, 0.0002338300000000 ] - [ 0.0023361400000000, -0.0001898800000000, 0.0006429000000000 ] - [ -0.0001622500000000, 0.0000715600000000, 0.0009025100000000 ] - [ -0.0001658100000000, 0.0000000000000000, 0.0002512100000000 ] - [ -0.0001622500000000, -0.0000715600000000, 0.0009025100000000 ] - [ 0.0025877600000000, 0.0018453900000000, -0.0012305900000000 ] - [ 0.0023277800000000, 0.0000000000000000, -0.0006299600000000 ] - [ 0.0025877600000000, -0.0018453900000000, -0.0012305900000000 ] - [ 0.0023673300000000, -0.0000024900000000, 0.0010413500000000 ] - [ 0.0023723400000000, 0.0000000000000000, 0.0008848900000000 ] - [ 0.0023673300000000, 0.0000024900000000, 0.0010413500000000 ] - [ 0.0101480500000000, 0.0000000000000000, -0.0042956100000000 ] - [ 0.0063933500000000, -0.0031155400000000, -0.0049845700000000 ] - [ 0.0063933500000000, 0.0031155400000000, -0.0049845700000000 ] - [ -0.0005948300000000, 0.0000000000000000, -0.0027203200000000 ] - [ 0.0038627200000000, 0.0029758700000000, -0.0044351300000000 ] - [ 0.0038627200000000, -0.0029758700000000, -0.0044351300000000 ] - [ 0.0046825500000000, 0.0000000000000000, -0.0014461200000000 ] - [ 0.0048376300000000, -0.0006754300000000, -0.0019257600000000 ] - [ 0.0048376300000000, 0.0006754300000000, -0.0019257600000000 ] - [ 0.0068706200000000, 0.0000000000000000, 0.0004368800000000 ] - [ 0.0068815300000000, 0.0007010000000000, -0.0000056900000000 ] - [ 0.0068815300000000, -0.0007010000000000, -0.0000056900000000 ] - [ 0.0019844800000000, 0.0000000000000000, -0.0073213100000000 ] - [ 0.0040858500000000, -0.0025610500000000, -0.0058403200000000 ] - [ 0.0040858500000000, 0.0025610500000000, -0.0058403200000000 ] - [ 0.0096427300000000, 0.0000000000000000, -0.0045546100000000 ] - [ 0.0057674600000000, 0.0025821600000000, -0.0049785200000000 ] - [ 0.0057674600000000, -0.0025821600000000, -0.0049785200000000 ] - [ 0.0069632700000000, 0.0000000000000000, 0.0053424100000000 ] - [ 0.0069027100000000, 0.0006772400000000, 0.0049746000000000 ] - [ 0.0069027100000000, -0.0006772400000000, 0.0049746000000000 ] - [ 0.0004065800000000, 0.0000000000000000, -0.0010495100000000 ] - [ 0.0004102400000000, 0.0001433100000000, -0.0008373000000000 ] - [ 0.0004102400000000, -0.0001433100000000, -0.0008373000000000 ] - [ -0.0001003100000000, 0.0000000000000000, -0.0089804300000000 ] - [ -0.0001726300000000, 0.0014004800000000, -0.0008973200000000 ] - [ -0.0001726300000000, -0.0014004800000000, -0.0008973200000000 ] - [ -0.0010952400000000, 0.0000000000000000, 0.0547210600000000 ] - [ -0.0003557300000000, -0.0001299000000000, 0.0043212500000000 ] - [ -0.0003557300000000, 0.0001299000000000, 0.0043212500000000 ] - [ -0.0002184400000000, 0.0000000000000000, -0.0020506900000000 ] - [ -0.0001292400000000, 0.0007229900000000, -0.0003006700000000 ] - [ -0.0001292400000000, -0.0007229900000000, -0.0003006700000000 ] - [ -0.0005581700000000, 0.0000000000000000, 0.0074038700000000 ] - [ -0.0005861400000000, -0.0002054200000000, 0.0029961100000000 ] - [ -0.0005861400000000, 0.0002054200000000, 0.0029961100000000 ] - [ 0.0002306800000000, 0.0000000000000000, -0.0097703000000000 ] - [ 0.0000306700000000, -0.0014015700000000, -0.0010139800000000 ] - [ 0.0000306700000000, 0.0014015700000000, -0.0010139800000000 ] - [ -0.0005559600000000, 0.0000000000000000, -0.0021208900000000 ] - [ -0.0005381900000000, -0.0006699400000000, -0.0004622900000000 ] - [ -0.0005381900000000, 0.0006699400000000, -0.0004622900000000 ] - [ -0.0093415200000000, -0.0007591700000000, -0.0072432100000000 ] - [ -0.0094347700000000, 0.0000000000000000, -0.0052591300000000 ] - [ -0.0093415200000000, 0.0007591700000000, -0.0072432100000000 ] - [ -0.0108301100000000, 0.0000086200000000, 0.0013013900000000 ] - [ -0.0108885600000000, 0.0000000000000000, 0.0020340000000000 ] - [ -0.0108301100000000, -0.0000086200000000, 0.0013013900000000 ] - [ -0.0039375500000000, 0.0000097800000000, 0.0046050000000000 ] - [ -0.0038549300000000, 0.0000000000000000, 0.0053389000000000 ] - [ -0.0039375500000000, -0.0000097800000000, 0.0046050000000000 ] - [ -0.0064076400000000, 0.0006897300000000, 0.0015015800000000 ] - [ -0.0062284800000000, 0.0000000000000000, 0.0035023900000000 ] - [ -0.0064076400000000, -0.0006897300000000, 0.0015015800000000 ] - [ 0.0042276700000000, 0.0135161300000000, 0.0075740300000000 ] - [ -0.0063335500000000, 0.0000000000000000, 0.0086490600000000 ] - [ 0.0042276700000000, -0.0135161300000000, 0.0075740300000000 ] - [ -0.0203932400000000, 0.0133168400000000, 0.0059219400000000 ] - [ -0.0073290300000000, 0.0000000000000000, 0.0077034700000000 ] - [ -0.0203932400000000, -0.0133168400000000, 0.0059219400000000 ] - [ -0.0064760600000000, 0.0007057200000000, 0.0003271500000000 ] - [ -0.0065975800000000, 0.0000000000000000, 0.0022197900000000 ] - [ -0.0064760600000000, -0.0007057200000000, 0.0003271500000000 ] - [ 0.0055247200000000, -0.0129706600000000, 0.0063167300000000 ] - [ -0.0069797200000000, 0.0000000000000000, 0.0074763600000000 ] - [ 0.0055247200000000, 0.0129706600000000, 0.0063167300000000 ] - [ -0.0088166200000000, -0.0007144400000000, -0.0011135700000000 ] - [ -0.0087146300000000, 0.0000000000000000, 0.0008024400000000 ] - [ -0.0088166200000000, 0.0007144400000000, -0.0011135700000000 ] - [ -0.0173753000000000, -0.0134193000000000, 0.0068579800000000 ] - [ -0.0069258600000000, 0.0000000000000000, 0.0080337900000000 ] - [ -0.0173753000000000, 0.0134193000000000, 0.0068579800000000 ]- atom: 109 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ 0.0005805900000000, 0.0000000000000000, -0.0000892700000000 ] - [ -0.0002438400000000, 0.0000383800000000, -0.0001053800000000 ] - [ -0.0002438400000000, -0.0000383800000000, -0.0001053800000000 ] - [ -0.0000514000000000, 0.0000000000000000, 0.0000643200000000 ] - [ -0.0000627800000000, 0.0000015300000000, 0.0000660800000000 ] - [ -0.0000627800000000, -0.0000015300000000, 0.0000660800000000 ] - [ -0.0002281700000000, 0.0000000000000000, 0.0003156900000000 ] - [ -0.0002165200000000, 0.0000006500000000, 0.0003188100000000 ] - [ -0.0002165200000000, -0.0000006500000000, 0.0003188100000000 ] - [ 0.0070466900000000, 0.0000000000000000, -0.0022094000000000 ] - [ 0.0050611100000000, -0.0019988100000000, -0.0029453000000000 ] - [ 0.0050611100000000, 0.0019988100000000, -0.0029453000000000 ] - [ 0.0096959100000000, 0.0000000000000000, -0.0031671800000000 ] - [ 0.0096698700000000, -0.0002204000000000, -0.0032174600000000 ] - [ 0.0096698700000000, 0.0002204000000000, -0.0032174600000000 ] - [ 0.0013879100000000, 0.0000000000000000, -0.0075106100000000 ] - [ 0.0013440800000000, 0.0002424300000000, -0.0074741700000000 ] - [ 0.0013440800000000, -0.0002424300000000, -0.0074741700000000 ] - [ -0.0010345100000000, -0.0043848900000000, -0.0026807800000000 ] - [ -0.0006681600000000, 0.0000000000000000, -0.0011370500000000 ] - [ -0.0010345100000000, 0.0043848900000000, -0.0026807800000000 ] - [ -0.0033555600000000, -0.0001979000000000, 0.0003404000000000 ] - [ 0.0010237300000000, 0.0000000000000000, 0.0002428000000000 ] - [ -0.0033555600000000, 0.0001979000000000, 0.0003404000000000 ] - [ -0.0000968600000000, 0.0008051300000000, -0.0044844700000000 ] - [ -0.0002549000000000, 0.0000000000000000, -0.0025364900000000 ] - [ -0.0000968600000000, -0.0008051300000000, -0.0044844700000000 ] - [ 0.0097087400000000, 0.0005004100000000, -0.0003209200000000 ] - [ 0.0028011200000000, 0.0000000000000000, 0.0000845400000000 ] - [ 0.0097087400000000, -0.0005004100000000, -0.0003209200000000 ] - [ 0.0008409500000000, -0.0008752100000000, 0.0010142700000000 ] - [ 0.0001461200000000, 0.0000000000000000, -0.0007668300000000 ] - [ 0.0008409500000000, 0.0008752100000000, 0.0010142700000000 ] - [ -0.0033636900000000, -0.0001713700000000, -0.0003677000000000 ] - [ 0.0013240900000000, 0.0000000000000000, -0.0000969400000000 ] - [ -0.0033636900000000, 0.0001713700000000, -0.0003677000000000 ] - [ -0.0030245700000000, 0.0058437700000000, -0.0000647900000000 ] - [ 0.0001905600000000, 0.0000000000000000, -0.0012329200000000 ] - [ -0.0030245700000000, -0.0058437700000000, -0.0000647900000000 ] - [ -0.0004345100000000, -0.0000289100000000, -0.0022284700000000 ] - [ -0.0004709700000000, 0.0000000000000000, -0.0021142300000000 ] - [ -0.0004345100000000, 0.0000289100000000, -0.0022284700000000 ] - [ 0.0020089100000000, -0.0000040100000000, 0.0005152200000000 ] - [ 0.0022115000000000, 0.0000000000000000, 0.0005198500000000 ] - [ 0.0020089100000000, 0.0000040100000000, 0.0005152200000000 ] - [ -0.0007218700000000, 0.0007509200000000, 0.0010847800000000 ] - [ -0.0005533900000000, 0.0000000000000000, -0.0005876700000000 ] - [ -0.0007218700000000, -0.0007509200000000, 0.0010847800000000 ] - [ 0.0103705600000000, 0.0004077100000000, 0.0008274800000000 ] - [ 0.0035344800000000, 0.0000000000000000, 0.0004678800000000 ] - [ 0.0103705600000000, -0.0004077100000000, 0.0008274800000000 ] - [ 0.0004217500000000, -0.0008568800000000, -0.0038991500000000 ] - [ 0.0001676400000000, 0.0000000000000000, -0.0021036400000000 ] - [ 0.0004217500000000, 0.0008568800000000, -0.0038991500000000 ] - [ 0.0027935600000000, -0.0000012100000000, -0.0003649300000000 ] - [ 0.0028210300000000, 0.0000000000000000, -0.0003629600000000 ] - [ 0.0027935600000000, 0.0000012100000000, -0.0003649300000000 ] - [ -0.0002997200000000, 0.0000234500000000, -0.0012148400000000 ] - [ -0.0002849900000000, 0.0000000000000000, -0.0013019700000000 ] - [ -0.0002997200000000, -0.0000234500000000, -0.0012148400000000 ] - [ 0.0008131300000000, -0.0000003000000000, -0.0001864100000000 ] - [ 0.0011004000000000, 0.0000000000000000, -0.0001864100000000 ] - [ 0.0008131300000000, 0.0000003000000000, -0.0001864100000000 ] - [ 0.0003409100000000, 0.0000284600000000, -0.0008386700000000 ] - [ 0.0003832600000000, 0.0000000000000000, -0.0006843300000000 ] - [ 0.0003409100000000, -0.0000284600000000, -0.0008386700000000 ] - [ 0.0024776000000000, 0.0000000300000000, -0.0001769600000000 ] - [ 0.0024499700000000, 0.0000000000000000, -0.0001756100000000 ] - [ 0.0024776000000000, -0.0000000300000000, -0.0001769600000000 ] - [ -0.0001073400000000, -0.0000310100000000, -0.0017850500000000 ] - [ -0.0001289200000000, 0.0000000000000000, -0.0019374200000000 ] - [ -0.0001073400000000, 0.0000310100000000, -0.0017850500000000 ] - [ 0.0029512500000000, -0.0000013200000000, 0.0001946900000000 ] - [ 0.0027160000000000, 0.0000000000000000, 0.0002101900000000 ] - [ 0.0029512500000000, 0.0000013200000000, 0.0001946900000000 ] - [ 0.0029868300000000, -0.0000030800000000, 0.0002467000000000 ] - [ 0.0027101300000000, 0.0000000000000000, 0.0002378000000000 ] - [ 0.0029868300000000, 0.0000030800000000, 0.0002467000000000 ] - [ 0.0060875100000000, 0.0000000000000000, -0.0068380500000000 ] - [ 0.0059843700000000, -0.0023154700000000, -0.0044515800000000 ] - [ 0.0059843700000000, 0.0023154700000000, -0.0044515800000000 ] - [ 0.0046722600000000, 0.0000000000000000, -0.0036218700000000 ] - [ 0.0046845300000000, -0.0002176200000000, -0.0036345500000000 ] - [ 0.0046845300000000, 0.0002176200000000, -0.0036345500000000 ] - [ 0.0034499900000000, 0.0000000000000000, -0.0070257000000000 ] - [ 0.0048008600000000, 0.0020662500000000, -0.0032599000000000 ] - [ 0.0048008600000000, -0.0020662500000000, -0.0032599000000000 ] - [ 0.0069297600000000, 0.0000000000000000, -0.0006738500000000 ] - [ 0.0069294700000000, -0.0000159300000000, -0.0006764800000000 ] - [ 0.0069294700000000, 0.0000159300000000, -0.0006764800000000 ] - [ 0.0021343100000000, 0.0000000000000000, 0.0009056200000000 ] - [ 0.0045422300000000, 0.0021212500000000, -0.0034361300000000 ] - [ 0.0045422300000000, -0.0021212500000000, -0.0034361300000000 ] - [ 0.0051650600000000, 0.0000000000000000, -0.0038236400000000 ] - [ 0.0051670700000000, 0.0001935600000000, -0.0038027300000000 ] - [ 0.0051670700000000, -0.0001935600000000, -0.0038027300000000 ] - [ 0.0068709900000000, 0.0000000000000000, 0.0043461200000000 ] - [ 0.0068707400000000, 0.0000084300000000, 0.0043495400000000 ] - [ 0.0068707400000000, -0.0000084300000000, 0.0043495400000000 ] - [ -0.0030392400000000, 0.0000000000000000, 0.0004795300000000 ] - [ -0.0003893700000000, -0.0001538000000000, 0.0002880100000000 ] - [ -0.0003893700000000, 0.0001538000000000, 0.0002880100000000 ] - [ 0.0182523100000000, 0.0000000000000000, 0.0000207000000000 ] - [ 0.0022079600000000, 0.0001231800000000, 0.0000557300000000 ] - [ 0.0022079600000000, -0.0001231800000000, 0.0000557300000000 ] - [ 0.0020127500000000, 0.0000000000000000, 0.0000189100000000 ] - [ 0.0002714400000000, 0.0000908900000000, -0.0000743900000000 ] - [ 0.0002714400000000, -0.0000908900000000, -0.0000743900000000 ] - [ -0.0503919200000000, 0.0000000000000000, -0.0005777700000000 ] - [ -0.0026681200000000, -0.0002104400000000, -0.0000718100000000 ] - [ -0.0026681200000000, 0.0002104400000000, -0.0000718100000000 ] - [ -0.0033521100000000, 0.0000000000000000, -0.0001946100000000 ] - [ -0.0012757500000000, -0.0001086300000000, -0.0000821600000000 ] - [ -0.0012757500000000, 0.0001086300000000, -0.0000821600000000 ] - [ 0.0002362400000000, 0.0000000000000000, 0.0000512300000000 ] - [ 0.0002188300000000, 0.0000061400000000, 0.0000489500000000 ] - [ 0.0002188300000000, -0.0000061400000000, 0.0000489500000000 ] - [ -0.0007721800000000, 0.0000000000000000, -0.0001597100000000 ] - [ -0.0007521100000000, 0.0000004300000000, -0.0001628200000000 ] - [ -0.0007521100000000, -0.0000004300000000, -0.0001628200000000 ] - [ -0.0094255600000000, -0.0000079400000000, -0.0032032300000000 ] - [ -0.0094350100000000, 0.0000000000000000, -0.0032264000000000 ] - [ -0.0094255600000000, 0.0000079400000000, -0.0032032300000000 ] - [ -0.0110232800000000, 0.0001428800000000, 0.0037597800000000 ] - [ -0.0111248100000000, 0.0000000000000000, 0.0047769400000000 ] - [ -0.0110232800000000, -0.0001428800000000, 0.0037597800000000 ] - [ -0.0032068800000000, -0.0001349800000000, 0.0100688200000000 ] - [ -0.0033443400000000, 0.0000000000000000, 0.0090138900000000 ] - [ -0.0032068800000000, 0.0001349800000000, 0.0100688200000000 ] - [ -0.0026883900000000, 0.0125534400000000, -0.0061946000000000 ] - [ -0.0058977500000000, 0.0000000000000000, 0.0046212900000000 ] - [ -0.0026883900000000, -0.0125534400000000, -0.0061946000000000 ] - [ -0.0024287000000000, -0.0122125000000000, -0.0071050100000000 ] - [ -0.0063826800000000, 0.0000000000000000, 0.0055378700000000 ] - [ -0.0024287000000000, 0.0122125000000000, -0.0071050100000000 ] - [ -0.0033711300000000, 0.0127149800000000, 0.0184067300000000 ] - [ -0.0074663800000000, 0.0000000000000000, 0.0048869800000000 ] - [ -0.0033711300000000, -0.0127149800000000, 0.0184067300000000 ] - [ -0.0028003900000000, -0.0131838100000000, 0.0153909300000000 ] - [ -0.0067514500000000, 0.0000000000000000, 0.0038196600000000 ] - [ -0.0028003900000000, 0.0131838100000000, 0.0153909300000000 ] - [ -0.0070208900000000, 0.0000821800000000, 0.0058033000000000 ] - [ -0.0069845800000000, 0.0000000000000000, 0.0049229100000000 ] - [ -0.0070208900000000, -0.0000821800000000, 0.0058033000000000 ] - [ -0.0087548000000000, 0.0000129300000000, 0.0025287900000000 ] - [ -0.0087517400000000, 0.0000000000000000, 0.0025359000000000 ] - [ -0.0087548000000000, -0.0000129300000000, 0.0025287900000000 ] - [ -0.0070733300000000, -0.0000623900000000, 0.0039533400000000 ] - [ -0.0070197900000000, 0.0000000000000000, 0.0047589600000000 ] - [ -0.0070733300000000, 0.0000623900000000, 0.0039533400000000 ]- atom: 109 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0016514000000000, 0.0000000000000000, -0.0000432700000000 ] - [ -0.0008262200000000, -0.0000382000000000, -0.0000263900000000 ] - [ -0.0008262200000000, 0.0000382000000000, -0.0000263900000000 ] - [ -0.0002136100000000, 0.0000000000000000, 0.0000526200000000 ] - [ -0.0002022500000000, -0.0000016000000000, 0.0000511400000000 ] - [ -0.0002022500000000, 0.0000016000000000, 0.0000511400000000 ] - [ -0.0000833400000000, 0.0000000000000000, 0.0003047600000000 ] - [ -0.0000944700000000, -0.0000007300000000, 0.0003022700000000 ] - [ -0.0000944700000000, 0.0000007300000000, 0.0003022700000000 ] - [ 0.0021884200000000, 0.0000000000000000, -0.0054080300000000 ] - [ 0.0039196400000000, 0.0019971100000000, -0.0044510000000000 ] - [ 0.0039196400000000, -0.0019971100000000, -0.0044510000000000 ] - [ 0.0095768700000000, 0.0000000000000000, -0.0037212200000000 ] - [ 0.0096031600000000, 0.0002204600000000, -0.0036711500000000 ] - [ 0.0096031600000000, -0.0002204600000000, -0.0036711500000000 ] - [ 0.0013707100000000, 0.0000000000000000, -0.0069190400000000 ] - [ 0.0014141200000000, -0.0002418700000000, -0.0069553500000000 ] - [ 0.0014141200000000, 0.0002418700000000, -0.0069553500000000 ] - [ -0.0000837400000000, 0.0044898400000000, 0.0000733300000000 ] - [ -0.0006251000000000, 0.0000000000000000, -0.0014638900000000 ] - [ -0.0000837400000000, -0.0044898400000000, 0.0000733300000000 ] - [ 0.0073003900000000, 0.0001885700000000, 0.0001852900000000 ] - [ 0.0029110300000000, 0.0000000000000000, 0.0002707300000000 ] - [ 0.0073003900000000, -0.0001885700000000, 0.0001852900000000 ] - [ -0.0005472100000000, -0.0008085500000000, 0.0005256100000000 ] - [ -0.0003837400000000, 0.0000000000000000, -0.0014186000000000 ] - [ -0.0005472100000000, 0.0008085500000000, 0.0005256100000000 ] - [ -0.0058440900000000, -0.0005015700000000, 0.0004251200000000 ] - [ 0.0010957200000000, 0.0000000000000000, 0.0000256700000000 ] - [ -0.0058440900000000, 0.0005015700000000, 0.0004251200000000 ] - [ -0.0009356500000000, 0.0008730100000000, -0.0036670000000000 ] - [ -0.0002441200000000, 0.0000000000000000, -0.0018853700000000 ] - [ -0.0009356500000000, -0.0008730100000000, -0.0036670000000000 ] - [ 0.0079262200000000, 0.0001617300000000, 0.0001738200000000 ] - [ 0.0032350300000000, 0.0000000000000000, -0.0000868100000000 ] - [ 0.0079262200000000, -0.0001617300000000, 0.0001738200000000 ] - [ 0.0036153800000000, -0.0058255300000000, -0.0024058800000000 ] - [ 0.0004969900000000, 0.0000000000000000, -0.0012311000000000 ] - [ 0.0036153800000000, 0.0058255300000000, -0.0024058800000000 ] - [ -0.0005756500000000, 0.0000290400000000, -0.0016642100000000 ] - [ -0.0005392800000000, 0.0000000000000000, -0.0017783600000000 ] - [ -0.0005756500000000, -0.0000290400000000, -0.0016642100000000 ] - [ 0.0029540700000000, 0.0000039200000000, 0.0005636200000000 ] - [ 0.0027526800000000, 0.0000000000000000, 0.0005582700000000 ] - [ 0.0029540700000000, -0.0000039200000000, 0.0005636200000000 ] - [ -0.0002375500000000, -0.0007551500000000, -0.0034015400000000 ] - [ -0.0004023800000000, 0.0000000000000000, -0.0017282700000000 ] - [ -0.0002375500000000, 0.0007551500000000, -0.0034015400000000 ] - [ -0.0051772800000000, -0.0003953200000000, 0.0000660800000000 ] - [ 0.0016754800000000, 0.0000000000000000, 0.0004166700000000 ] - [ -0.0051772800000000, 0.0003953200000000, 0.0000660800000000 ] - [ -0.0001539700000000, 0.0008541800000000, 0.0008733300000000 ] - [ 0.0000967000000000, 0.0000000000000000, -0.0009168700000000 ] - [ -0.0001539700000000, -0.0008541800000000, 0.0008733300000000 ] - [ 0.0030777000000000, 0.0000013100000000, -0.0003363100000000 ] - [ 0.0030506300000000, 0.0000000000000000, -0.0003379500000000 ] - [ 0.0030777000000000, -0.0000013100000000, -0.0003363100000000 ] - [ -0.0002639000000000, -0.0000234200000000, -0.0016174200000000 ] - [ -0.0002786500000000, 0.0000000000000000, -0.0015292300000000 ] - [ -0.0002639000000000, 0.0000234200000000, -0.0016174200000000 ] - [ 0.0020168100000000, 0.0000004700000000, -0.0001787600000000 ] - [ 0.0017306600000000, 0.0000000000000000, -0.0001781300000000 ] - [ 0.0020168100000000, -0.0000004700000000, -0.0001787600000000 ] - [ 0.0004963000000000, -0.0000284800000000, -0.0000723100000000 ] - [ 0.0004541700000000, 0.0000000000000000, -0.0002259300000000 ] - [ 0.0004963000000000, 0.0000284800000000, -0.0000723100000000 ] - [ 0.0022200500000000, 0.0000002200000000, -0.0001550700000000 ] - [ 0.0022470100000000, 0.0000000000000000, -0.0001563800000000 ] - [ 0.0022200500000000, -0.0000002200000000, -0.0001550700000000 ] - [ -0.0001433000000000, 0.0000310300000000, -0.0023397600000000 ] - [ -0.0001206800000000, 0.0000000000000000, -0.0021871200000000 ] - [ -0.0001433000000000, -0.0000310300000000, -0.0023397600000000 ] - [ 0.0019105800000000, 0.0000015900000000, 0.0001770100000000 ] - [ 0.0021442300000000, 0.0000000000000000, 0.0001620300000000 ] - [ 0.0019105800000000, -0.0000015900000000, 0.0001770100000000 ] - [ 0.0018409600000000, 0.0000033200000000, 0.0002754800000000 ] - [ 0.0021165500000000, 0.0000000000000000, 0.0002848000000000 ] - [ 0.0018409600000000, -0.0000033200000000, 0.0002754800000000 ] - [ 0.0051578600000000, 0.0000000000000000, 0.0000369900000000 ] - [ 0.0050749500000000, 0.0023090900000000, -0.0024872600000000 ] - [ 0.0050749500000000, -0.0023090900000000, -0.0024872600000000 ] - [ 0.0046274900000000, 0.0000000000000000, -0.0031924200000000 ] - [ 0.0046157900000000, 0.0002174400000000, -0.0031798000000000 ] - [ 0.0046157900000000, -0.0002174400000000, -0.0031798000000000 ] - [ 0.0062714200000000, 0.0000000000000000, 0.0017660400000000 ] - [ 0.0050864000000000, -0.0020648200000000, -0.0018945100000000 ] - [ 0.0050864000000000, 0.0020648200000000, -0.0018945100000000 ] - [ 0.0069162500000000, 0.0000000000000000, -0.0006714000000000 ] - [ 0.0069165600000000, 0.0000160700000000, -0.0006687000000000 ] - [ 0.0069165600000000, -0.0000160700000000, -0.0006687000000000 ] - [ 0.0071901800000000, 0.0000000000000000, -0.0095266900000000 ] - [ 0.0048922300000000, -0.0021253300000000, -0.0052370600000000 ] - [ 0.0048922300000000, 0.0021253300000000, -0.0052370600000000 ] - [ 0.0052398700000000, 0.0000000000000000, -0.0041760600000000 ] - [ 0.0052370800000000, -0.0001933400000000, -0.0041971700000000 ] - [ 0.0052370800000000, 0.0001933400000000, -0.0041971700000000 ] - [ 0.0068832800000000, 0.0000000000000000, 0.0043867600000000 ] - [ 0.0068834700000000, -0.0000078100000000, 0.0043834000000000 ] - [ 0.0068834700000000, 0.0000078100000000, 0.0043834000000000 ] - [ 0.0039009200000000, 0.0000000000000000, -0.0002259300000000 ] - [ 0.0012506200000000, 0.0001493800000000, -0.0000678300000000 ] - [ 0.0012506200000000, -0.0001493800000000, -0.0000678300000000 ] - [ -0.0188451100000000, 0.0000000000000000, 0.0001503900000000 ] - [ -0.0028139200000000, -0.0001159800000000, 0.0001201900000000 ] - [ -0.0028139200000000, 0.0001159800000000, 0.0001201900000000 ] - [ -0.0028047900000000, 0.0000000000000000, -0.0003499300000000 ] - [ -0.0010629500000000, -0.0000904600000000, -0.0002625000000000 ] - [ -0.0010629500000000, 0.0000904600000000, -0.0002625000000000 ] - [ 0.0499953800000000, 0.0000000000000000, 0.0007923600000000 ] - [ 0.0025939400000000, 0.0001819200000000, 0.0001665100000000 ] - [ 0.0025939400000000, -0.0001819200000000, 0.0001665100000000 ] - [ 0.0021886200000000, 0.0000000000000000, 0.0002425700000000 ] - [ 0.0001125600000000, 0.0001059900000000, 0.0001583600000000 ] - [ 0.0001125600000000, -0.0001059900000000, 0.0001583600000000 ] - [ -0.0000563600000000, 0.0000000000000000, 0.0000072200000000 ] - [ -0.0000383800000000, -0.0000061400000000, 0.0000096400000000 ] - [ -0.0000383800000000, 0.0000061400000000, 0.0000096400000000 ] - [ -0.0004430400000000, 0.0000000000000000, -0.0001638000000000 ] - [ -0.0004615700000000, -0.0000008800000000, -0.0001613700000000 ] - [ -0.0004615700000000, 0.0000008800000000, -0.0001613700000000 ] - [ -0.0094480700000000, 0.0000076900000000, -0.0034112600000000 ] - [ -0.0094387200000000, 0.0000000000000000, -0.0033890700000000 ] - [ -0.0094480700000000, -0.0000076900000000, -0.0034112600000000 ] - [ -0.0113398100000000, -0.0001432200000000, 0.0066116700000000 ] - [ -0.0112382600000000, 0.0000000000000000, 0.0055939100000000 ] - [ -0.0113398100000000, 0.0001432200000000, 0.0066116700000000 ] - [ -0.0037174300000000, 0.0001349000000000, 0.0069200000000000 ] - [ -0.0035802500000000, 0.0000000000000000, 0.0079726300000000 ] - [ -0.0037174300000000, -0.0001349000000000, 0.0069200000000000 ] - [ -0.0092755800000000, -0.0124814600000000, 0.0159534100000000 ] - [ -0.0060368200000000, 0.0000000000000000, 0.0052090300000000 ] - [ -0.0092755800000000, 0.0124814600000000, 0.0159534100000000 ] - [ -0.0103287300000000, 0.0122994200000000, 0.0187314400000000 ] - [ -0.0064052800000000, 0.0000000000000000, 0.0059860700000000 ] - [ -0.0103287300000000, -0.0122994200000000, 0.0187314400000000 ] - [ -0.0116915900000000, -0.0126321300000000, -0.0087722100000000 ] - [ -0.0075795400000000, 0.0000000000000000, 0.0046627900000000 ] - [ -0.0116915900000000, 0.0126321300000000, -0.0087722100000000 ] - [ -0.0106620400000000, 0.0132815500000000, -0.0082028500000000 ] - [ -0.0067621500000000, 0.0000000000000000, 0.0034544300000000 ] - [ -0.0106620400000000, -0.0132815500000000, -0.0082028500000000 ] - [ -0.0068903900000000, -0.0000834100000000, 0.0031622300000000 ] - [ -0.0069272200000000, 0.0000000000000000, 0.0040382100000000 ] - [ -0.0068903900000000, 0.0000834100000000, 0.0031622300000000 ] - [ -0.0087687600000000, -0.0000124200000000, 0.0024800200000000 ] - [ -0.0087715900000000, 0.0000000000000000, 0.0024737200000000 ] - [ -0.0087687600000000, 0.0000124200000000, 0.0024800200000000 ] - [ -0.0069266500000000, 0.0000625200000000, 0.0063520200000000 ] - [ -0.0069783600000000, 0.0000000000000000, 0.0055495900000000 ] - [ -0.0069266500000000, -0.0000625200000000, 0.0063520200000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005360800000000, -0.0008153800000000, -0.0000646800000000 ] - [ -0.0005739900000000, 0.0004143200000000, -0.0003852100000000 ] - [ -0.0004967800000000, 0.0004151600000000, 0.0002526500000000 ] - [ -0.0001329600000000, -0.0002028800000000, 0.0000593900000000 ] - [ -0.0001329800000000, 0.0001012000000000, 0.0000038200000000 ] - [ -0.0001328900000000, 0.0001012800000000, 0.0001142000000000 ] - [ -0.0001563200000000, -0.0002111400000000, 0.0003103900000000 ] - [ -0.0001538000000000, 0.0001062500000000, 0.0002494900000000 ] - [ -0.0001581700000000, 0.0001063100000000, 0.0003716600000000 ] - [ 0.0044935300000000, 0.0106279900000000, -0.0037042100000000 ] - [ 0.0037173100000000, -0.0034951800000000, -0.0027041100000000 ] - [ 0.0052502200000000, -0.0035033200000000, -0.0046877700000000 ] - [ 0.0096363300000000, 0.0013981900000000, -0.0034448300000000 ] - [ 0.0095423600000000, -0.0006915200000000, -0.0032202400000000 ] - [ 0.0097300800000000, -0.0006933100000000, -0.0036684600000000 ] - [ 0.0013792500000000, 0.0016555900000000, -0.0072150100000000 ] - [ 0.0014324900000000, -0.0008216600000000, -0.0069665900000000 ] - [ 0.0013261100000000, -0.0008234600000000, -0.0074626200000000 ] - [ -0.0049046500000000, 0.0001703800000000, -0.0027402600000000 ] - [ -0.0006499000000000, -0.0019376700000000, -0.0013026100000000 ] - [ 0.0037190100000000, -0.0000062300000000, 0.0001310900000000 ] - [ 0.0021558000000000, 0.0009398100000000, 0.0018117100000000 ] - [ 0.0019694600000000, -0.0015387400000000, 0.0002569200000000 ] - [ 0.0017934400000000, 0.0009295900000000, -0.0012921800000000 ] - [ 0.0004205500000000, 0.0005406400000000, 0.0022174100000000 ] - [ -0.0003186700000000, -0.0009686600000000, -0.0019755900000000 ] - [ -0.0010545600000000, 0.0005369500000000, -0.0061678600000000 ] - [ 0.0051007400000000, 0.0035126000000000, 0.0017586900000000 ] - [ 0.0019488100000000, -0.0020534700000000, 0.0000598300000000 ] - [ -0.0012120400000000, 0.0032050400000000, -0.0018966700000000 ] - [ -0.0004554200000000, 0.0005252800000000, 0.0017223700000000 ] - [ -0.0000497000000000, -0.0009512000000000, -0.0013249000000000 ] - [ 0.0003518500000000, 0.0005191700000000, -0.0043791900000000 ] - [ 0.0018832700000000, 0.0009850100000000, -0.0022770400000000 ] - [ 0.0022800300000000, -0.0015765100000000, -0.0000926100000000 ] - [ 0.0026789200000000, 0.0009761400000000, 0.0020846800000000 ] - [ 0.0059955000000000, -0.0015750600000000, -0.0023057100000000 ] - [ 0.0003457300000000, -0.0019550200000000, -0.0012344600000000 ] - [ -0.0053217200000000, -0.0016584500000000, -0.0001705600000000 ] - [ -0.0004739800000000, 0.0001091400000000, -0.0024458500000000 ] - [ -0.0005053100000000, -0.0002154000000000, -0.0019461300000000 ] - [ -0.0005368900000000, 0.0001087300000000, -0.0014461400000000 ] - [ 0.0024889300000000, 0.0001651000000000, 0.0000440800000000 ] - [ 0.0024819300000000, -0.0003358600000000, 0.0005390700000000 ] - [ 0.0024746500000000, 0.0001643600000000, 0.0010342000000000 ] - [ 0.0002400600000000, 0.0005755200000000, -0.0046426400000000 ] - [ -0.0004776400000000, -0.0009722300000000, -0.0011594700000000 ] - [ -0.0011929500000000, 0.0005713600000000, 0.0023238400000000 ] - [ 0.0047929800000000, 0.0000595400000000, -0.0043353800000000 ] - [ 0.0026058300000000, -0.0018170800000000, 0.0004386600000000 ] - [ 0.0004231100000000, -0.0001040100000000, 0.0053219400000000 ] - [ -0.0004781300000000, 0.0005865800000000, -0.0045165500000000 ] - [ 0.0001319300000000, -0.0009722100000000, -0.0015111000000000 ] - [ 0.0007396500000000, 0.0005808600000000, 0.0014956900000000 ] - [ 0.0029385400000000, 0.0000561700000000, -0.0003249100000000 ] - [ 0.0029359100000000, -0.0001122200000000, -0.0003508100000000 ] - [ 0.0029329100000000, 0.0000560200000000, -0.0003768500000000 ] - [ -0.0002820900000000, 0.0001070400000000, -0.0018707900000000 ] - [ -0.0002816700000000, -0.0002107200000000, -0.0014150200000000 ] - [ -0.0002812500000000, 0.0001066700000000, -0.0009600500000000 ] - [ 0.0015970400000000, 0.0001274700000000, 0.0003723500000000 ] - [ 0.0014156100000000, -0.0002546400000000, -0.0001817700000000 ] - [ 0.0012346200000000, 0.0001268100000000, -0.0007361900000000 ] - [ 0.0005075300000000, 0.0000956500000000, 0.0002390400000000 ] - [ 0.0004186200000000, -0.0001859000000000, -0.0004545900000000 ] - [ 0.0003296300000000, 0.0000954600000000, -0.0011486100000000 ] - [ 0.0023329400000000, 0.0000477700000000, -0.0001370400000000 ] - [ 0.0023490900000000, -0.0000947300000000, -0.0001658400000000 ] - [ 0.0023655800000000, 0.0000474600000000, -0.0001945900000000 ] - [ -0.0001368500000000, 0.0000933900000000, -0.0013721400000000 ] - [ -0.0001252400000000, -0.0001823300000000, -0.0020618800000000 ] - [ -0.0001137500000000, 0.0000930900000000, -0.0027525900000000 ] - [ 0.0023044900000000, 0.0002432500000000, -0.0002757600000000 ] - [ 0.0024305700000000, -0.0004974100000000, 0.0001858500000000 ] - [ 0.0025575400000000, 0.0002427100000000, 0.0006469600000000 ] - [ 0.0022597700000000, 0.0001762700000000, 0.0008032000000000 ] - [ 0.0024134200000000, -0.0003478500000000, 0.0002617800000000 ] - [ 0.0025667400000000, 0.0001760200000000, -0.0002797300000000 ] - [ 0.0055400900000000, 0.0108628900000000, -0.0034622200000000 ] - [ 0.0048426300000000, -0.0038463100000000, -0.0044487100000000 ] - [ 0.0062053400000000, -0.0038530400000000, -0.0024924700000000 ] - [ 0.0046499600000000, 0.0012515100000000, -0.0034061300000000 ] - [ 0.0046067200000000, -0.0006191900000000, -0.0036409200000000 ] - [ 0.0046935900000000, -0.0006206800000000, -0.0031724600000000 ] - [ 0.0049443900000000, 0.0121294300000000, -0.0025890900000000 ] - [ 0.0056881000000000, -0.0044972200000000, -0.0017520500000000 ] - [ 0.0042117800000000, -0.0045036500000000, -0.0034002100000000 ] - [ 0.0069229100000000, 0.0004996000000000, -0.0006727400000000 ] - [ 0.0069182400000000, -0.0002499100000000, -0.0006742500000000 ] - [ 0.0069276300000000, -0.0002500500000000, -0.0006711300000000 ] - [ 0.0047123700000000, 0.0108004300000000, -0.0043261900000000 ] - [ 0.0053778700000000, -0.0042699000000000, -0.0051690800000000 ] - [ 0.0040660700000000, -0.0042758700000000, -0.0035049000000000 ] - [ 0.0052023400000000, 0.0013734100000000, -0.0039989100000000 ] - [ 0.0052039400000000, -0.0006813200000000, -0.0042376200000000 ] - [ 0.0052001300000000, -0.0006830800000000, -0.0037613700000000 ] - [ 0.0068771500000000, 0.0004920600000000, 0.0043664100000000 ] - [ 0.0068709800000000, -0.0002455300000000, 0.0043635600000000 ] - [ 0.0068832500000000, -0.0002462200000000, 0.0043692700000000 ] - [ 0.0004336300000000, -0.0040879000000000, 0.0001258800000000 ] - [ 0.0005860600000000, 0.0017928700000000, -0.0012681300000000 ] - [ 0.0002769500000000, 0.0017939500000000, 0.0014803400000000 ] - [ -0.0003047000000000, -0.0063374100000000, 0.0000885800000000 ] - [ -0.0003728800000000, 0.0029103000000000, -0.0000086900000000 ] - [ -0.0002336300000000, 0.0029079600000000, 0.0001857300000000 ] - [ -0.0003965200000000, -0.0018490000000000, -0.0001723500000000 ] - [ -0.0004405100000000, 0.0008942600000000, 0.0005548700000000 ] - [ -0.0003515900000000, 0.0008960100000000, -0.0008913900000000 ] - [ -0.0001058900000000, -0.0560249500000000, 0.0001858900000000 ] - [ 0.0001616400000000, 0.0099954000000000, -0.0000131800000000 ] - [ -0.0002306200000000, 0.0098685000000000, 0.0001090100000000 ] - [ -0.0005803600000000, -0.0035571700000000, 0.0000223700000000 ] - [ -0.0004814900000000, 0.0015886500000000, 0.0014650100000000 ] - [ -0.0006805800000000, 0.0015882300000000, -0.0013822200000000 ] - [ 0.0000901200000000, -0.0004143800000000, 0.0000290200000000 ] - [ 0.0000855100000000, 0.0002073200000000, 0.0001608600000000 ] - [ 0.0000953300000000, 0.0002075600000000, -0.0001024000000000 ] - [ -0.0006080500000000, -0.0004312400000000, -0.0001615900000000 ] - [ -0.0006034800000000, 0.0002163100000000, -0.0000353200000000 ] - [ -0.0006118300000000, 0.0002163800000000, -0.0002878700000000 ] - [ -0.0094328300000000, -0.0002148100000000, -0.0034306800000000 ] - [ -0.0094368100000000, 0.0004300000000000, -0.0033084100000000 ] - [ -0.0094406000000000, -0.0002144800000000, -0.0031854000000000 ] - [ -0.0110612600000000, -0.0006540300000000, 0.0031136100000000 ] - [ -0.0111811600000000, 0.0012912400000000, 0.0051843800000000 ] - [ -0.0113013600000000, -0.0006519300000000, 0.0072611400000000 ] - [ -0.0037837300000000, -0.0007458700000000, 0.0057479600000000 ] - [ -0.0034628400000000, 0.0014717600000000, 0.0084911100000000 ] - [ -0.0031421500000000, -0.0007444800000000, 0.0112352800000000 ] - [ 0.0033998300000000, 0.0002360200000000, -0.0069727400000000 ] - [ -0.0059671200000000, 0.0053593400000000, 0.0049133400000000 ] - [ -0.0152733300000000, 0.0002839700000000, 0.0167365600000000 ] - [ -0.0187542600000000, 0.0006875500000000, 0.0189468400000000 ] - [ -0.0063967000000000, 0.0060593300000000, 0.0057654200000000 ] - [ 0.0058828700000000, 0.0007157200000000, -0.0073307500000000 ] - [ 0.0032538400000000, 0.0008903700000000, 0.0195589200000000 ] - [ -0.0075216500000000, 0.0056317100000000, 0.0047787000000000 ] - [ -0.0182236900000000, 0.0009261500000000, -0.0099213500000000 ] - [ -0.0212254800000000, 0.0005276900000000, -0.0093552400000000 ] - [ -0.0067596300000000, 0.0064255700000000, 0.0036353200000000 ] - [ 0.0076141000000000, 0.0005496600000000, 0.0165489000000000 ] - [ -0.0069283500000000, -0.0005393400000000, 0.0064012600000000 ] - [ -0.0069556400000000, 0.0010736300000000, 0.0044811500000000 ] - [ -0.0069826200000000, -0.0005363100000000, 0.0025603800000000 ] - [ -0.0087736500000000, -0.0001978300000000, 0.0024203100000000 ] - [ -0.0087616700000000, 0.0003980100000000, 0.0025044800000000 ] - [ -0.0087500000000000, -0.0001981100000000, 0.0025874700000000 ] - [ -0.0068795300000000, -0.0005702900000000, 0.0073466600000000 ] - [ -0.0070000800000000, 0.0011315200000000, 0.0051558400000000 ] - [ -0.0071211200000000, -0.0005686300000000, 0.0029611600000000 ]- atom: 109 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0004974900000000, 0.0000000000000000, 0.0009181700000000 ] - [ -0.0004922200000000, -0.0003323200000000, 0.0001318000000000 ] - [ -0.0004922200000000, 0.0003323200000000, 0.0001318000000000 ] - [ -0.0001429800000000, 0.0000000000000000, 0.0006311600000000 ] - [ -0.0001406400000000, -0.0000640200000000, 0.0005398800000000 ] - [ -0.0001406400000000, 0.0000640200000000, 0.0005398800000000 ] - [ -0.0001496000000000, 0.0000000000000000, 0.0009518600000000 ] - [ -0.0001507200000000, -0.0000717500000000, 0.0008537700000000 ] - [ -0.0001507200000000, 0.0000717500000000, 0.0008537700000000 ] - [ 0.0066937900000000, 0.0000000000000000, 0.0000730700000000 ] - [ 0.0050867500000000, 0.0026459900000000, -0.0022194900000000 ] - [ 0.0050867500000000, -0.0026459900000000, -0.0022194900000000 ] - [ 0.0099830900000000, 0.0000000000000000, -0.0044656800000000 ] - [ 0.0097440300000000, 0.0007293200000000, -0.0040666000000000 ] - [ 0.0097440300000000, -0.0007293200000000, -0.0040666000000000 ] - [ 0.0011070200000000, 0.0000000000000000, -0.0082498200000000 ] - [ 0.0012630900000000, 0.0008212500000000, -0.0078728700000000 ] - [ 0.0012630900000000, -0.0008212500000000, -0.0078728700000000 ] - [ -0.0011869800000000, -0.0004155700000000, 0.0111391000000000 ] - [ -0.0005891900000000, 0.0000000000000000, 0.0026696400000000 ] - [ -0.0011869800000000, 0.0004155700000000, 0.0111391000000000 ] - [ 0.0021172500000000, 0.0019487600000000, 0.0021714500000000 ] - [ 0.0018877500000000, 0.0000000000000000, 0.0010889300000000 ] - [ 0.0021172500000000, -0.0019487600000000, 0.0021714500000000 ] - [ -0.0011121000000000, 0.0010515100000000, -0.0051803300000000 ] - [ -0.0004981900000000, 0.0000000000000000, -0.0022023500000000 ] - [ -0.0011121000000000, -0.0010515100000000, -0.0051803300000000 ] - [ -0.0006234200000000, 0.0020601600000000, 0.0038029600000000 ] - [ 0.0022872400000000, 0.0000000000000000, 0.0011573300000000 ] - [ -0.0006234200000000, -0.0020601600000000, 0.0038029600000000 ] - [ 0.0008084400000000, 0.0011898900000000, -0.0037355200000000 ] - [ 0.0002754900000000, 0.0000000000000000, -0.0014721900000000 ] - [ 0.0008084400000000, -0.0011898900000000, -0.0037355200000000 ] - [ 0.0020919000000000, -0.0019344000000000, 0.0011150500000000 ] - [ 0.0024151900000000, 0.0000000000000000, 0.0006789000000000 ] - [ 0.0020919000000000, 0.0019344000000000, 0.0011150500000000 ] - [ 0.0007809900000000, -0.0002928600000000, 0.0118924900000000 ] - [ 0.0003522000000000, 0.0000000000000000, 0.0030951100000000 ] - [ 0.0007809900000000, 0.0002928600000000, 0.0118924900000000 ] - [ -0.0005526200000000, -0.0000892100000000, -0.0043609400000000 ] - [ -0.0005549900000000, 0.0000000000000000, -0.0037341100000000 ] - [ -0.0005526200000000, 0.0000892100000000, -0.0043609400000000 ] - [ 0.0025011800000000, -0.0002141600000000, -0.0003834700000000 ] - [ 0.0025019800000000, 0.0000000000000000, 0.0000828800000000 ] - [ 0.0025011800000000, 0.0002141600000000, -0.0003834700000000 ] - [ 0.0001196700000000, -0.0009555200000000, -0.0035921600000000 ] - [ -0.0004896900000000, 0.0000000000000000, -0.0011729200000000 ] - [ 0.0001196700000000, 0.0009555200000000, -0.0035921600000000 ] - [ 0.0049006800000000, -0.0048194400000000, 0.0005758000000000 ] - [ 0.0024284500000000, 0.0000000000000000, 0.0014085900000000 ] - [ 0.0049006800000000, 0.0048194400000000, 0.0005758000000000 ] - [ -0.0005864100000000, -0.0010838700000000, -0.0036527500000000 ] - [ 0.0000241900000000, 0.0000000000000000, -0.0014998200000000 ] - [ -0.0005864100000000, 0.0010838700000000, -0.0036527500000000 ] - [ 0.0029040400000000, -0.0000153700000000, -0.0012028600000000 ] - [ 0.0029129500000000, 0.0000000000000000, -0.0010348100000000 ] - [ 0.0029040400000000, 0.0000153700000000, -0.0012028600000000 ] - [ -0.0002698100000000, -0.0000835800000000, -0.0038838600000000 ] - [ -0.0002645500000000, 0.0000000000000000, -0.0032724400000000 ] - [ -0.0002698100000000, 0.0000835800000000, -0.0038838600000000 ] - [ 0.0012105700000000, 0.0001666800000000, -0.0010106900000000 ] - [ 0.0013299700000000, 0.0000000000000000, -0.0005289200000000 ] - [ 0.0012105700000000, -0.0001666800000000, -0.0010106900000000 ] - [ 0.0004101800000000, 0.0000799100000000, -0.0036364000000000 ] - [ 0.0004529600000000, 0.0000000000000000, -0.0028309000000000 ] - [ 0.0004101800000000, -0.0000799100000000, -0.0036364000000000 ] - [ 0.0023585000000000, -0.0000013700000000, -0.0009365000000000 ] - [ 0.0023578200000000, 0.0000000000000000, -0.0007751200000000 ] - [ 0.0023585000000000, 0.0000013700000000, -0.0009365000000000 ] - [ -0.0000721400000000, 0.0000866100000000, -0.0051067100000000 ] - [ -0.0000902500000000, 0.0000000000000000, -0.0043055200000000 ] - [ -0.0000721400000000, -0.0000866100000000, -0.0051067100000000 ] - [ 0.0023618700000000, -0.0003482300000000, -0.0008563500000000 ] - [ 0.0024240400000000, 0.0000000000000000, -0.0003884900000000 ] - [ 0.0023618700000000, 0.0003482300000000, -0.0008563500000000 ] - [ 0.0025596900000000, 0.0002322900000000, -0.0006809900000000 ] - [ 0.0024637800000000, 0.0000000000000000, -0.0001867400000000 ] - [ 0.0025596900000000, -0.0002322900000000, -0.0006809900000000 ] - [ 0.0017291800000000, 0.0000000000000000, -0.0020664100000000 ] - [ 0.0049420600000000, -0.0026341900000000, -0.0024469200000000 ] - [ 0.0049420600000000, 0.0026341900000000, -0.0024469200000000 ] - [ 0.0045235100000000, 0.0000000000000000, -0.0045433400000000 ] - [ 0.0046120900000000, -0.0006374100000000, -0.0041075000000000 ] - [ 0.0046120900000000, 0.0006374100000000, -0.0041075000000000 ] - [ 0.0000164000000000, 0.0000000000000000, -0.0019536000000000 ] - [ 0.0039882000000000, 0.0034922000000000, -0.0011654500000000 ] - [ 0.0039882000000000, -0.0034922000000000, -0.0011654500000000 ] - [ 0.0068858100000000, 0.0000000000000000, -0.0015231400000000 ] - [ 0.0068885100000000, 0.0000068700000000, -0.0014436700000000 ] - [ 0.0068885100000000, -0.0000068700000000, -0.0014436700000000 ] - [ 0.0102698800000000, 0.0000000000000000, -0.0051627500000000 ] - [ 0.0055746200000000, -0.0031826300000000, -0.0032887200000000 ] - [ 0.0055746200000000, 0.0031826300000000, -0.0032887200000000 ] - [ 0.0052555500000000, 0.0000000000000000, -0.0050987000000000 ] - [ 0.0052531900000000, -0.0006657300000000, -0.0046873300000000 ] - [ 0.0052531900000000, 0.0006657300000000, -0.0046873300000000 ] - [ 0.0069061600000000, 0.0000000000000000, 0.0035816600000000 ] - [ 0.0069059000000000, 0.0000142000000000, 0.0036503600000000 ] - [ 0.0069059000000000, -0.0000142000000000, 0.0036503600000000 ] - [ 0.0003838700000000, 0.0000000000000000, 0.0114107500000000 ] - [ 0.0002774200000000, -0.0015396600000000, 0.0011243300000000 ] - [ 0.0002774200000000, 0.0015396600000000, 0.0011243300000000 ] - [ -0.0002241700000000, 0.0000000000000000, -0.0072627500000000 ] - [ -0.0002339900000000, 0.0001482800000000, -0.0028286000000000 ] - [ -0.0002339900000000, -0.0001482800000000, -0.0028286000000000 ] - [ -0.0004245900000000, 0.0000000000000000, 0.0019313700000000 ] - [ -0.0004646300000000, 0.0006720500000000, 0.0001799800000000 ] - [ -0.0004646300000000, -0.0006720500000000, 0.0001799800000000 ] - [ -0.0007807000000000, 0.0000000000000000, -0.0632334800000000 ] - [ -0.0001517600000000, 0.0000470500000000, -0.0047419400000000 ] - [ -0.0001517600000000, -0.0000470500000000, -0.0047419400000000 ] - [ -0.0004972000000000, 0.0000000000000000, 0.0099689600000000 ] - [ -0.0004621100000000, 0.0013815200000000, 0.0010721500000000 ] - [ -0.0004621100000000, -0.0013815200000000, 0.0010721500000000 ] - [ 0.0000845800000000, 0.0000000000000000, 0.0012544500000000 ] - [ 0.0000844000000000, 0.0001238400000000, 0.0010262200000000 ] - [ 0.0000844000000000, -0.0001238400000000, 0.0010262200000000 ] - [ -0.0005955800000000, 0.0000000000000000, 0.0010014900000000 ] - [ -0.0005947200000000, 0.0001320600000000, 0.0007861700000000 ] - [ -0.0005947200000000, -0.0001320600000000, 0.0007861700000000 ] - [ -0.0097394100000000, -0.0000047400000000, 0.0005095000000000 ] - [ -0.0096735900000000, 0.0000000000000000, -0.0002547600000000 ] - [ -0.0097394100000000, 0.0000047400000000, 0.0005095000000000 ] - [ -0.0116674300000000, -0.0008024300000000, 0.0094059700000000 ] - [ -0.0114587600000000, 0.0000000000000000, 0.0071842000000000 ] - [ -0.0116674300000000, 0.0008024300000000, 0.0094059700000000 ] - [ -0.0027692300000000, -0.0008521300000000, 0.0132276700000000 ] - [ -0.0031132400000000, 0.0000000000000000, 0.0105952300000000 ] - [ -0.0027692300000000, 0.0008521300000000, 0.0132276700000000 ] - [ -0.0157967500000000, -0.0132391700000000, 0.0033120600000000 ] - [ -0.0061944600000000, 0.0000000000000000, 0.0022659300000000 ] - [ -0.0157967500000000, 0.0132391700000000, 0.0033120600000000 ] - [ -0.0196129500000000, 0.0130034300000000, 0.0038347600000000 ] - [ -0.0064057400000000, 0.0000000000000000, 0.0026401400000000 ] - [ -0.0196129500000000, -0.0130034300000000, 0.0038347600000000 ] - [ 0.0033704800000000, 0.0140007300000000, 0.0034159800000000 ] - [ -0.0075730600000000, 0.0000000000000000, 0.0017972600000000 ] - [ 0.0033704800000000, -0.0140007300000000, 0.0034159800000000 ] - [ 0.0067190000000000, -0.0133317900000000, 0.0023409900000000 ] - [ -0.0067639000000000, 0.0000000000000000, 0.0007136200000000 ] - [ 0.0067190000000000, 0.0133317900000000, 0.0023409900000000 ] - [ -0.0068319000000000, 0.0006571300000000, 0.0078224800000000 ] - [ -0.0068816800000000, 0.0000000000000000, 0.0058577900000000 ] - [ -0.0068319000000000, -0.0006571300000000, 0.0078224800000000 ] - [ -0.0085653000000000, 0.0000010800000000, 0.0058756800000000 ] - [ -0.0086163000000000, 0.0000000000000000, 0.0051740600000000 ] - [ -0.0085653000000000, -0.0000010800000000, 0.0058756800000000 ] - [ -0.0069741900000000, 0.0006594400000000, 0.0085684400000000 ] - [ -0.0070396000000000, 0.0000000000000000, 0.0065133400000000 ] - [ -0.0069741900000000, -0.0006594400000000, 0.0085684400000000 ]- atom: 109 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005736700000000, 0.0000000000000000, -0.0010491300000000 ] - [ -0.0005781500000000, 0.0003325200000000, -0.0002632600000000 ] - [ -0.0005781500000000, -0.0003325200000000, -0.0002632600000000 ] - [ -0.0001219900000000, 0.0000000000000000, -0.0005137800000000 ] - [ -0.0001245200000000, 0.0000642300000000, -0.0004222500000000 ] - [ -0.0001245200000000, -0.0000642300000000, -0.0004222500000000 ] - [ -0.0001624700000000, 0.0000000000000000, -0.0003314400000000 ] - [ -0.0001607800000000, 0.0000721000000000, -0.0002322900000000 ] - [ -0.0001607800000000, -0.0000721000000000, -0.0002322900000000 ] - [ 0.0025045800000000, 0.0000000000000000, -0.0077491700000000 ] - [ 0.0038867800000000, -0.0026434200000000, -0.0051845600000000 ] - [ 0.0038867800000000, 0.0026434200000000, -0.0051845600000000 ] - [ 0.0092855600000000, 0.0000000000000000, -0.0024204000000000 ] - [ 0.0095289000000000, -0.0007317000000000, -0.0028230600000000 ] - [ 0.0095289000000000, 0.0007317000000000, -0.0028230600000000 ] - [ 0.0016546000000000, 0.0000000000000000, -0.0061778600000000 ] - [ 0.0014951500000000, -0.0008233200000000, -0.0065573900000000 ] - [ 0.0014951500000000, 0.0008233200000000, -0.0065573900000000 ] - [ -0.0000819600000000, 0.0004363600000000, -0.0137275400000000 ] - [ -0.0007051600000000, 0.0000000000000000, -0.0052710800000000 ] - [ -0.0000819600000000, -0.0004363600000000, -0.0137275400000000 ] - [ 0.0018274700000000, -0.0019521200000000, -0.0016641600000000 ] - [ 0.0020507100000000, 0.0000000000000000, -0.0005768700000000 ] - [ 0.0018274700000000, 0.0019521200000000, -0.0016641600000000 ] - [ 0.0004804500000000, -0.0010591200000000, 0.0012151700000000 ] - [ -0.0001398500000000, 0.0000000000000000, -0.0017579000000000 ] - [ 0.0004804500000000, 0.0010591200000000, 0.0012151700000000 ] - [ 0.0045100200000000, -0.0018478900000000, -0.0039292400000000 ] - [ 0.0016078800000000, 0.0000000000000000, -0.0010469500000000 ] - [ 0.0045100200000000, 0.0018478900000000, -0.0039292400000000 ] - [ -0.0009176500000000, -0.0011982500000000, 0.0010707400000000 ] - [ -0.0003747000000000, 0.0000000000000000, -0.0011867200000000 ] - [ -0.0009176500000000, 0.0011982500000000, 0.0010707400000000 ] - [ 0.0024717800000000, 0.0019259200000000, -0.0012901700000000 ] - [ 0.0021452700000000, 0.0000000000000000, -0.0008608700000000 ] - [ 0.0024717800000000, -0.0019259200000000, -0.0012901700000000 ] - [ -0.0001082100000000, 0.0003170100000000, -0.0143477000000000 ] - [ 0.0003367700000000, 0.0000000000000000, -0.0055602800000000 ] - [ -0.0001082100000000, -0.0003170100000000, -0.0143477000000000 ] - [ -0.0004579900000000, 0.0000889500000000, 0.0004695800000000 ] - [ -0.0004556100000000, 0.0000000000000000, -0.0001568200000000 ] - [ -0.0004579900000000, -0.0000889500000000, 0.0004695800000000 ] - [ 0.0024626000000000, 0.0002136700000000, 0.0014618200000000 ] - [ 0.0024627000000000, 0.0000000000000000, 0.0009963600000000 ] - [ 0.0024626000000000, -0.0002136700000000, 0.0014618200000000 ] - [ -0.0010700100000000, 0.0009500700000000, 0.0012832600000000 ] - [ -0.0004657600000000, 0.0000000000000000, -0.0011381000000000 ] - [ -0.0010700100000000, -0.0009500700000000, 0.0012832600000000 ] - [ 0.0003159800000000, 0.0049102800000000, 0.0004591200000000 ] - [ 0.0027807100000000, 0.0000000000000000, -0.0005240700000000 ] - [ 0.0003159800000000, -0.0049102800000000, 0.0004591200000000 ] - [ 0.0008433700000000, 0.0010775600000000, 0.0006374100000000 ] - [ 0.0002394400000000, 0.0000000000000000, -0.0015156200000000 ] - [ 0.0008433700000000, -0.0010775600000000, 0.0006374100000000 ] - [ 0.0029675200000000, 0.0000153100000000, 0.0005018700000000 ] - [ 0.0029588800000000, 0.0000000000000000, 0.0003340000000000 ] - [ 0.0029675200000000, -0.0000153100000000, 0.0005018700000000 ] - [ -0.0002936500000000, 0.0000832600000000, 0.0010521300000000 ] - [ -0.0002990200000000, 0.0000000000000000, 0.0004425100000000 ] - [ -0.0002936500000000, -0.0000832600000000, 0.0010521300000000 ] - [ 0.0016200100000000, -0.0001669800000000, 0.0006454500000000 ] - [ 0.0015010200000000, 0.0000000000000000, 0.0001635300000000 ] - [ 0.0016200100000000, 0.0001669800000000, 0.0006454500000000 ] - [ 0.0004270000000000, -0.0000803600000000, 0.0027259000000000 ] - [ 0.0003844000000000, 0.0000000000000000, 0.0019199100000000 ] - [ 0.0004270000000000, 0.0000803600000000, 0.0027259000000000 ] - [ 0.0023390700000000, 0.0000014600000000, 0.0006048900000000 ] - [ 0.0023395500000000, 0.0000000000000000, 0.0004433800000000 ] - [ 0.0023390700000000, -0.0000014600000000, 0.0006048900000000 ] - [ -0.0001787600000000, -0.0000871300000000, 0.0009815900000000 ] - [ -0.0001605700000000, 0.0000000000000000, 0.0001800600000000 ] - [ -0.0001787600000000, 0.0000871300000000, 0.0009815900000000 ] - [ 0.0025007300000000, 0.0003444000000000, 0.0012253400000000 ] - [ 0.0024362700000000, 0.0000000000000000, 0.0007610900000000 ] - [ 0.0025007300000000, -0.0003444000000000, 0.0012253400000000 ] - [ 0.0022677100000000, -0.0002348100000000, 0.0012045800000000 ] - [ 0.0023628800000000, 0.0000000000000000, 0.0007084600000000 ] - [ 0.0022677100000000, 0.0002348100000000, 0.0012045800000000 ] - [ 0.0094689700000000, 0.0000000000000000, -0.0046615500000000 ] - [ 0.0061084600000000, 0.0026344000000000, -0.0044823900000000 ] - [ 0.0061084600000000, -0.0026344000000000, -0.0044823900000000 ] - [ 0.0047726800000000, 0.0000000000000000, -0.0022728700000000 ] - [ 0.0046881300000000, 0.0006355500000000, -0.0027052400000000 ] - [ 0.0046881300000000, -0.0006355500000000, -0.0027052400000000 ] - [ 0.0097956300000000, 0.0000000000000000, -0.0033556600000000 ] - [ 0.0059076200000000, -0.0034916500000000, -0.0039965400000000 ] - [ 0.0059076200000000, 0.0034916500000000, -0.0039965400000000 ] - [ 0.0069601100000000, 0.0000000000000000, 0.0001783100000000 ] - [ 0.0069574700000000, -0.0000075200000000, 0.0000989900000000 ] - [ 0.0069574700000000, 0.0000075200000000, 0.0000989900000000 ] - [ -0.0008685800000000, 0.0000000000000000, -0.0034022600000000 ] - [ 0.0038692300000000, 0.0031782700000000, -0.0053757600000000 ] - [ 0.0038692300000000, -0.0031782700000000, -0.0053757600000000 ] - [ 0.0051516700000000, 0.0000000000000000, -0.0029021200000000 ] - [ 0.0051512600000000, 0.0006643000000000, -0.0033115900000000 ] - [ 0.0051512600000000, -0.0006643000000000, -0.0033115900000000 ] - [ 0.0068479500000000, 0.0000000000000000, 0.0051513900000000 ] - [ 0.0068482200000000, -0.0000143100000000, 0.0050828000000000 ] - [ 0.0068482200000000, 0.0000143100000000, 0.0050828000000000 ] - [ 0.0004780700000000, 0.0000000000000000, -0.0113629900000000 ] - [ 0.0005846800000000, 0.0015410500000000, -0.0009075500000000 ] - [ 0.0005846800000000, -0.0015410500000000, -0.0009075500000000 ] - [ -0.0003845300000000, 0.0000000000000000, 0.0074416700000000 ] - [ -0.0003724900000000, -0.0001545300000000, 0.0030052100000000 ] - [ -0.0003724900000000, 0.0001545300000000, 0.0030052100000000 ] - [ -0.0003681200000000, 0.0000000000000000, -0.0022667600000000 ] - [ -0.0003276000000000, -0.0006719700000000, -0.0005198000000000 ] - [ -0.0003276000000000, 0.0006719700000000, -0.0005198000000000 ] - [ 0.0004980500000000, 0.0000000000000000, 0.0636400000000000 ] - [ 0.0000818200000000, -0.0000754600000000, 0.0048381600000000 ] - [ 0.0000818200000000, 0.0000754600000000, 0.0048381600000000 ] - [ -0.0006644800000000, 0.0000000000000000, -0.0097480600000000 ] - [ -0.0006999800000000, -0.0013781600000000, -0.0009923600000000 ] - [ -0.0006999800000000, 0.0013781600000000, -0.0009923600000000 ] - [ 0.0000955500000000, 0.0000000000000000, -0.0011953400000000 ] - [ 0.0000962200000000, -0.0001232500000000, -0.0009681000000000 ] - [ 0.0000962200000000, 0.0001232500000000, -0.0009681000000000 ] - [ -0.0006201900000000, 0.0000000000000000, -0.0013232300000000 ] - [ -0.0006203300000000, -0.0001314600000000, -0.0011091200000000 ] - [ -0.0006203300000000, 0.0001314600000000, -0.0011091200000000 ] - [ -0.0091338500000000, 0.0000051700000000, -0.0071250300000000 ] - [ -0.0091998100000000, 0.0000000000000000, -0.0063610000000000 ] - [ -0.0091338500000000, -0.0000051700000000, -0.0071250300000000 ] - [ -0.0106935600000000, 0.0008072200000000, 0.0009670200000000 ] - [ -0.0109045700000000, 0.0000000000000000, 0.0031913500000000 ] - [ -0.0106935600000000, -0.0008072200000000, 0.0009670200000000 ] - [ -0.0041579200000000, 0.0008570700000000, 0.0037589500000000 ] - [ -0.0038112300000000, 0.0000000000000000, 0.0063948600000000 ] - [ -0.0041579200000000, -0.0008570700000000, 0.0037589500000000 ] - [ 0.0039228300000000, 0.0133087700000000, 0.0065509000000000 ] - [ -0.0057394700000000, 0.0000000000000000, 0.0075686200000000 ] - [ 0.0039228300000000, -0.0133087700000000, 0.0065509000000000 ] - [ 0.0067304900000000, -0.0129235700000000, 0.0076652200000000 ] - [ -0.0063835000000000, 0.0000000000000000, 0.0088812900000000 ] - [ 0.0067304900000000, 0.0129235700000000, 0.0076652200000000 ] - [ -0.0183372400000000, -0.0139123500000000, 0.0060847100000000 ] - [ -0.0074724800000000, 0.0000000000000000, 0.0077482900000000 ] - [ -0.0183372400000000, 0.0139123500000000, 0.0060847100000000 ] - [ -0.0203110400000000, 0.0134101300000000, 0.0049595300000000 ] - [ -0.0067521500000000, 0.0000000000000000, 0.0065644800000000 ] - [ -0.0203110400000000, -0.0134101300000000, 0.0049595300000000 ] - [ -0.0070763400000000, -0.0006551100000000, 0.0011415800000000 ] - [ -0.0070293700000000, 0.0000000000000000, 0.0030993100000000 ] - [ -0.0070763400000000, 0.0006551100000000, 0.0011415800000000 ] - [ -0.0089585300000000, -0.0000001700000000, -0.0008676100000000 ] - [ -0.0089072800000000, 0.0000000000000000, -0.0001646200000000 ] - [ -0.0089585300000000, 0.0000001700000000, -0.0008676100000000 ] - [ -0.0070286700000000, -0.0006561800000000, 0.0017371100000000 ] - [ -0.0069588200000000, 0.0000000000000000, 0.0037920000000000 ] - [ -0.0070286700000000, 0.0006561800000000, 0.0017371100000000 ]- atom: 112 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0004661100000000, 0.0000000000000000, -0.0000611500000000 ] - [ -0.0004742300000000, 0.0000021200000000, -0.0000618200000000 ] - [ -0.0004742300000000, -0.0000021200000000, -0.0000618200000000 ] - [ -0.0000516300000000, 0.0000000000000000, 0.0000773500000000 ] - [ -0.0000595000000000, 0.0000020400000000, 0.0000736400000000 ] - [ -0.0000595000000000, -0.0000020400000000, 0.0000736400000000 ] - [ -0.0002241100000000, 0.0000000000000000, 0.0003230100000000 ] - [ -0.0002181900000000, 0.0000005100000000, 0.0003197000000000 ] - [ -0.0002181900000000, -0.0000005100000000, 0.0003197000000000 ] - [ 0.0045375000000000, 0.0000000000000000, -0.0034721200000000 ] - [ 0.0045478000000000, -0.0002301500000000, -0.0034595400000000 ] - [ 0.0045478000000000, 0.0002301500000000, -0.0034595400000000 ] - [ 0.0096520700000000, 0.0000000000000000, -0.0034520100000000 ] - [ 0.0096515100000000, -0.0000100800000000, -0.0034508200000000 ] - [ 0.0096515100000000, 0.0000100800000000, -0.0034508200000000 ] - [ 0.0013810900000000, 0.0000000000000000, -0.0072262200000000 ] - [ 0.0013801900000000, 0.0000066500000000, -0.0072276700000000 ] - [ 0.0013801900000000, -0.0000066500000000, -0.0072276700000000 ] - [ -0.0004423500000000, -0.0009666600000000, 0.0012494500000000 ] - [ -0.0006408700000000, 0.0000000000000000, -0.0007627000000000 ] - [ -0.0004423500000000, 0.0009666600000000, 0.0012494500000000 ] - [ 0.0014445700000000, 0.0000004300000000, 0.0002358000000000 ] - [ 0.0016783600000000, 0.0000000000000000, 0.0002517900000000 ] - [ 0.0014445700000000, -0.0000004300000000, 0.0002358000000000 ] - [ -0.0003093300000000, 0.0000250400000000, -0.0022732900000000 ] - [ -0.0003019300000000, 0.0000000000000000, -0.0021690000000000 ] - [ -0.0003093300000000, -0.0000250400000000, -0.0022732900000000 ] - [ 0.0024510100000000, -0.0000040800000000, 0.0000354900000000 ] - [ 0.0022057300000000, 0.0000000000000000, 0.0000193100000000 ] - [ 0.0024510100000000, 0.0000040800000000, 0.0000354900000000 ] - [ 0.0000702400000000, -0.0000258300000000, -0.0011208800000000 ] - [ 0.0000102000000000, 0.0000000000000000, -0.0012160200000000 ] - [ 0.0000702400000000, 0.0000258300000000, -0.0011208800000000 ] - [ -0.0028804000000000, -0.0001621700000000, -0.0000025600000000 ] - [ 0.0014207800000000, 0.0000000000000000, -0.0001090700000000 ] - [ -0.0028804000000000, 0.0001621700000000, -0.0000025600000000 ] - [ -0.0000006200000000, 0.0008999500000000, -0.0037996900000000 ] - [ 0.0002467400000000, 0.0000000000000000, -0.0018014100000000 ] - [ -0.0000006200000000, -0.0008999500000000, -0.0037996900000000 ] - [ 0.0000356300000000, -0.0008680800000000, -0.0042596700000000 ] - [ -0.0004023800000000, 0.0000000000000000, -0.0024777600000000 ] - [ 0.0000356300000000, 0.0008680800000000, -0.0042596700000000 ] - [ -0.0029311400000000, -0.0001491400000000, 0.0003306600000000 ] - [ 0.0015556700000000, 0.0000000000000000, 0.0005512100000000 ] - [ -0.0029311400000000, 0.0001491400000000, 0.0003306600000000 ] - [ -0.0032086800000000, 0.0055462700000000, 0.0004641600000000 ] - [ -0.0005599700000000, 0.0000000000000000, -0.0012912500000000 ] - [ -0.0032086800000000, -0.0055462700000000, 0.0004641600000000 ] - [ 0.0103146000000000, 0.0004189200000000, 0.0000302700000000 ] - [ 0.0034521700000000, 0.0000000000000000, 0.0004479600000000 ] - [ 0.0103146000000000, -0.0004189200000000, 0.0000302700000000 ] - [ 0.0000626200000000, -0.0040982900000000, -0.0031359200000000 ] - [ 0.0001475500000000, 0.0000000000000000, -0.0013417000000000 ] - [ 0.0000626200000000, 0.0040982900000000, -0.0031359200000000 ] - [ 0.0023604300000000, -0.0000147300000000, -0.0003618000000000 ] - [ 0.0026111000000000, 0.0000000000000000, -0.0003625300000000 ] - [ 0.0023604300000000, 0.0000147300000000, -0.0003618000000000 ] - [ -0.0002297300000000, 0.0007417400000000, 0.0008301700000000 ] - [ -0.0002758700000000, 0.0000000000000000, -0.0007991000000000 ] - [ -0.0002297300000000, -0.0007417400000000, 0.0008301700000000 ] - [ 0.0012679900000000, -0.0000007400000000, -0.0001895200000000 ] - [ 0.0012946700000000, 0.0000000000000000, -0.0001916500000000 ] - [ 0.0012679900000000, 0.0000007400000000, -0.0001895200000000 ] - [ 0.0003184200000000, 0.0000261500000000, -0.0001788900000000 ] - [ 0.0003736600000000, 0.0000000000000000, -0.0003081800000000 ] - [ 0.0003184200000000, -0.0000261500000000, -0.0001788900000000 ] - [ 0.0028080400000000, -0.0000084300000000, -0.0001517800000000 ] - [ 0.0026162200000000, 0.0000000000000000, -0.0001468300000000 ] - [ 0.0028080400000000, 0.0000084300000000, -0.0001517800000000 ] - [ -0.0001104000000000, -0.0000272500000000, -0.0023657900000000 ] - [ -0.0001263400000000, 0.0000000000000000, -0.0022581500000000 ] - [ -0.0001104000000000, 0.0000272500000000, -0.0023657900000000 ] - [ 0.0108536700000000, 0.0004158000000000, 0.0005757300000000 ] - [ 0.0033971000000000, 0.0000000000000000, 0.0002086500000000 ] - [ 0.0108536700000000, -0.0004158000000000, 0.0005757300000000 ] - [ 0.0025557900000000, 0.0000001300000000, 0.0002544200000000 ] - [ 0.0025280800000000, 0.0000000000000000, 0.0002516600000000 ] - [ 0.0025557900000000, -0.0000001300000000, 0.0002544200000000 ] - [ 0.0073502600000000, 0.0000000000000000, -0.0012713700000000 ] - [ 0.0059274500000000, -0.0019547700000000, -0.0026591800000000 ] - [ 0.0059274500000000, 0.0019547700000000, -0.0026591800000000 ] - [ 0.0042719500000000, 0.0000000000000000, -0.0077287500000000 ] - [ 0.0050365300000000, -0.0022604700000000, -0.0044017800000000 ] - [ 0.0050365300000000, 0.0022604700000000, -0.0044017800000000 ] - [ 0.0049463900000000, 0.0000000000000000, -0.0028243500000000 ] - [ 0.0049361000000000, 0.0002280400000000, -0.0028357100000000 ] - [ 0.0049361000000000, -0.0002280400000000, -0.0028357100000000 ] - [ 0.0069224300000000, 0.0000000000000000, -0.0008822700000000 ] - [ 0.0069329300000000, -0.0002407400000000, -0.0009020800000000 ] - [ 0.0069329300000000, 0.0002407400000000, -0.0009020800000000 ] - [ 0.0032768000000000, 0.0000000000000000, -0.0088027100000000 ] - [ 0.0045522500000000, 0.0019509200000000, -0.0050767800000000 ] - [ 0.0045522500000000, -0.0019509200000000, -0.0050767800000000 ] - [ 0.0023025000000000, 0.0000000000000000, 0.0016127500000000 ] - [ 0.0050089500000000, 0.0022523000000000, -0.0030670000000000 ] - [ 0.0050089500000000, -0.0022523000000000, -0.0030670000000000 ] - [ 0.0068074000000000, 0.0000000000000000, 0.0045458100000000 ] - [ 0.0068124000000000, 0.0001931500000000, 0.0045895100000000 ] - [ 0.0068124000000000, -0.0001931500000000, 0.0045895100000000 ] - [ 0.0002475800000000, 0.0000000000000000, 0.0001347700000000 ] - [ 0.0002693300000000, -0.0000012200000000, 0.0001360100000000 ] - [ 0.0002693300000000, 0.0000012200000000, 0.0001360100000000 ] - [ 0.0021608000000000, 0.0000000000000000, 0.0000515500000000 ] - [ 0.0003992500000000, 0.0000491400000000, 0.0000389500000000 ] - [ 0.0003992500000000, -0.0000491400000000, 0.0000389500000000 ] - [ 0.0181970300000000, 0.0000000000000000, -0.0001765700000000 ] - [ 0.0021017000000000, 0.0000832300000000, -0.0001628600000000 ] - [ 0.0021017000000000, -0.0000832300000000, -0.0001628600000000 ] - [ -0.0028070500000000, 0.0000000000000000, 0.0001455000000000 ] - [ -0.0007306300000000, -0.0001016300000000, 0.0001688700000000 ] - [ -0.0007306300000000, 0.0001016300000000, 0.0001688700000000 ] - [ -0.0512360700000000, 0.0000000000000000, 0.0005668100000000 ] - [ -0.0032870300000000, -0.0001627500000000, 0.0000214400000000 ] - [ -0.0032870300000000, 0.0001627500000000, 0.0000214400000000 ] - [ 0.0024416600000000, 0.0000000000000000, 0.0002086000000000 ] - [ 0.0007332500000000, 0.0000894600000000, 0.0000725900000000 ] - [ 0.0007332500000000, -0.0000894600000000, 0.0000725900000000 ] - [ -0.0035189100000000, 0.0000000000000000, -0.0003111900000000 ] - [ -0.0013815700000000, -0.0000955400000000, -0.0003150400000000 ] - [ -0.0013815700000000, 0.0000955400000000, -0.0003150400000000 ] - [ -0.0091928000000000, -0.0000627000000000, -0.0046028600000000 ] - [ -0.0093224500000000, 0.0000000000000000, -0.0037830100000000 ] - [ -0.0091928000000000, 0.0000627000000000, -0.0046028600000000 ] - [ -0.0111905300000000, 0.0000113100000000, 0.0052463700000000 ] - [ -0.0111844300000000, 0.0000000000000000, 0.0052469700000000 ] - [ -0.0111905300000000, -0.0000113100000000, 0.0052463700000000 ] - [ -0.0034462100000000, -0.0000071400000000, 0.0085180300000000 ] - [ -0.0034510300000000, 0.0000000000000000, 0.0085302900000000 ] - [ -0.0034462100000000, 0.0000071400000000, 0.0085180300000000 ] - [ -0.0060009200000000, 0.0000745000000000, 0.0037070400000000 ] - [ -0.0059610300000000, 0.0000000000000000, 0.0045676400000000 ] - [ -0.0060009200000000, -0.0000745000000000, 0.0037070400000000 ] - [ -0.0022644100000000, -0.0129957200000000, 0.0177048900000000 ] - [ -0.0063844200000000, 0.0000000000000000, 0.0060436500000000 ] - [ -0.0022644100000000, 0.0129957200000000, 0.0177048900000000 ] - [ -0.0035888800000000, 0.0128735400000000, -0.0070664700000000 ] - [ -0.0074639000000000, 0.0000000000000000, 0.0045025200000000 ] - [ -0.0035888800000000, -0.0128735400000000, -0.0070664700000000 ] - [ -0.0068523000000000, -0.0000749500000000, 0.0049928700000000 ] - [ -0.0067699400000000, 0.0000000000000000, 0.0040705400000000 ] - [ -0.0068523000000000, 0.0000749500000000, 0.0049928700000000 ] - [ -0.0037248000000000, 0.0125175300000000, 0.0181047400000000 ] - [ -0.0069838800000000, 0.0000000000000000, 0.0045582500000000 ] - [ -0.0037248000000000, -0.0125175300000000, 0.0181047400000000 ] - [ -0.0086117900000000, 0.0000991700000000, 0.0037710500000000 ] - [ -0.0086989400000000, 0.0000000000000000, 0.0029241500000000 ] - [ -0.0086117900000000, -0.0000991700000000, 0.0037710500000000 ] - [ -0.0037527500000000, -0.0123820800000000, -0.0081450000000000 ] - [ -0.0070891700000000, 0.0000000000000000, 0.0049914600000000 ] - [ -0.0037527500000000, 0.0123820800000000, -0.0081450000000000 ]- atom: 112 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0006044000000000, 0.0000000000000000, -0.0000697300000000 ] - [ -0.0005961500000000, -0.0000021600000000, -0.0000698400000000 ] - [ -0.0005961500000000, 0.0000021600000000, -0.0000698400000000 ] - [ -0.0002135600000000, 0.0000000000000000, 0.0000407700000000 ] - [ -0.0002060100000000, -0.0000020800000000, 0.0000442100000000 ] - [ -0.0002060100000000, 0.0000020800000000, 0.0000442100000000 ] - [ -0.0000871700000000, 0.0000000000000000, 0.0002973500000000 ] - [ -0.0000932400000000, -0.0000005200000000, 0.0003008100000000 ] - [ -0.0000932400000000, 0.0000005200000000, 0.0003008100000000 ] - [ 0.0044363600000000, 0.0000000000000000, -0.0039269200000000 ] - [ 0.0044275200000000, 0.0002318700000000, -0.0039395300000000 ] - [ 0.0044275200000000, -0.0002318700000000, -0.0039395300000000 ] - [ 0.0096204000000000, 0.0000000000000000, -0.0034364800000000 ] - [ 0.0096211000000000, 0.0000103600000000, -0.0034377800000000 ] - [ 0.0096211000000000, -0.0000103600000000, -0.0034377800000000 ] - [ 0.0013773500000000, 0.0000000000000000, -0.0072034400000000 ] - [ 0.0013781800000000, -0.0000061600000000, -0.0072019900000000 ] - [ 0.0013781800000000, 0.0000061600000000, -0.0072019900000000 ] - [ -0.0008471700000000, 0.0009638500000000, -0.0038477300000000 ] - [ -0.0006518700000000, 0.0000000000000000, -0.0018400500000000 ] - [ -0.0008471700000000, -0.0009638500000000, -0.0038477300000000 ] - [ 0.0024964600000000, -0.0000001600000000, 0.0002768500000000 ] - [ 0.0022582500000000, 0.0000000000000000, 0.0002616600000000 ] - [ 0.0024964600000000, 0.0000001600000000, 0.0002768500000000 ] - [ -0.0003286900000000, -0.0000249400000000, -0.0016821400000000 ] - [ -0.0003358700000000, 0.0000000000000000, -0.0017869700000000 ] - [ -0.0003286900000000, 0.0000249400000000, -0.0016821400000000 ] - [ 0.0014416400000000, 0.0000042900000000, 0.0000742200000000 ] - [ 0.0016895900000000, 0.0000000000000000, 0.0000897200000000 ] - [ 0.0014416400000000, -0.0000042900000000, 0.0000742200000000 ] - [ -0.0001700100000000, 0.0000255700000000, -0.0015345900000000 ] - [ -0.0001093700000000, 0.0000000000000000, -0.0014368000000000 ] - [ -0.0001700100000000, -0.0000255700000000, -0.0015345900000000 ] - [ 0.0074420000000000, 0.0001502600000000, -0.0001691800000000 ] - [ 0.0031375800000000, 0.0000000000000000, -0.0000753800000000 ] - [ 0.0074420000000000, -0.0001502600000000, -0.0001691800000000 ] - [ 0.0006836500000000, -0.0009041800000000, 0.0013347300000000 ] - [ 0.0004401300000000, 0.0000000000000000, -0.0006648100000000 ] - [ 0.0006836500000000, 0.0009041800000000, 0.0013347300000000 ] - [ -0.0010409000000000, 0.0008653400000000, 0.0003648700000000 ] - [ -0.0006070100000000, 0.0000000000000000, -0.0014142700000000 ] - [ -0.0010409000000000, -0.0008653400000000, 0.0003648700000000 ] - [ 0.0078991300000000, 0.0001395100000000, 0.0007389200000000 ] - [ 0.0034080500000000, 0.0000000000000000, 0.0005281600000000 ] - [ 0.0078991300000000, -0.0001395100000000, 0.0007389200000000 ] - [ 0.0021343600000000, -0.0055043800000000, -0.0027834000000000 ] - [ -0.0003948700000000, 0.0000000000000000, -0.0010220900000000 ] - [ 0.0021343600000000, 0.0055043800000000, -0.0027834000000000 ] - [ -0.0051225800000000, -0.0004075300000000, 0.0008369600000000 ] - [ 0.0017577300000000, 0.0000000000000000, 0.0004351700000000 ] - [ -0.0051225800000000, 0.0004075300000000, 0.0008369600000000 ] - [ 0.0003864900000000, 0.0042163900000000, 0.0001142200000000 ] - [ 0.0001161100000000, 0.0000000000000000, -0.0016763700000000 ] - [ 0.0003864900000000, -0.0042163900000000, 0.0001142200000000 ] - [ 0.0035093800000000, 0.0000149200000000, -0.0003383200000000 ] - [ 0.0032594600000000, 0.0000000000000000, -0.0003383000000000 ] - [ 0.0035093800000000, -0.0000149200000000, -0.0003383200000000 ] - [ -0.0003387700000000, -0.0007458900000000, -0.0036625700000000 ] - [ -0.0002883300000000, 0.0000000000000000, -0.0020321000000000 ] - [ -0.0003387700000000, 0.0007458900000000, -0.0036625700000000 ] - [ 0.0015628500000000, 0.0000007600000000, -0.0001751000000000 ] - [ 0.0015361900000000, 0.0000000000000000, -0.0001730400000000 ] - [ 0.0015628500000000, -0.0000007600000000, -0.0001751000000000 ] - [ 0.0005189700000000, -0.0000261700000000, -0.0007302200000000 ] - [ 0.0004638500000000, 0.0000000000000000, -0.0006011200000000 ] - [ 0.0005189700000000, 0.0000261700000000, -0.0007302200000000 ] - [ 0.0018906600000000, 0.0000088900000000, -0.0001793200000000 ] - [ 0.0020817000000000, 0.0000000000000000, -0.0001844200000000 ] - [ 0.0018906600000000, -0.0000088900000000, -0.0001793200000000 ] - [ -0.0001403400000000, 0.0000272600000000, -0.0017589400000000 ] - [ -0.0001244100000000, 0.0000000000000000, -0.0018663200000000 ] - [ -0.0001403400000000, -0.0000272600000000, -0.0017589400000000 ] - [ -0.0060116400000000, -0.0004007800000000, -0.0001928200000000 ] - [ 0.0014635600000000, 0.0000000000000000, 0.0001639900000000 ] - [ -0.0060116400000000, 0.0004007800000000, -0.0001928200000000 ] - [ 0.0022710700000000, 0.0000000000000000, 0.0002688500000000 ] - [ 0.0022986700000000, 0.0000000000000000, 0.0002715700000000 ] - [ 0.0022710700000000, 0.0000000000000000, 0.0002688500000000 ] - [ 0.0039576700000000, 0.0000000000000000, -0.0058613800000000 ] - [ 0.0051322700000000, 0.0019503300000000, -0.0042733800000000 ] - [ 0.0051322700000000, -0.0019503300000000, -0.0042733800000000 ] - [ 0.0051948800000000, 0.0000000000000000, 0.0010189200000000 ] - [ 0.0042680100000000, 0.0022564500000000, -0.0024154500000000 ] - [ 0.0042680100000000, -0.0022564500000000, -0.0024154500000000 ] - [ 0.0049479900000000, 0.0000000000000000, -0.0023347800000000 ] - [ 0.0049573500000000, -0.0002281200000000, -0.0023235300000000 ] - [ 0.0049573500000000, 0.0002281200000000, -0.0023235300000000 ] - [ 0.0069234200000000, 0.0000000000000000, -0.0004627100000000 ] - [ 0.0069133600000000, 0.0002404400000000, -0.0004430500000000 ] - [ 0.0069133600000000, -0.0002404400000000, -0.0004430500000000 ] - [ 0.0059815300000000, 0.0000000000000000, 0.0000300100000000 ] - [ 0.0048816700000000, -0.0019517000000000, -0.0035874400000000 ] - [ 0.0048816700000000, 0.0019517000000000, -0.0035874400000000 ] - [ 0.0079963600000000, 0.0000000000000000, -0.0095762400000000 ] - [ 0.0053907700000000, -0.0022548000000000, -0.0049365500000000 ] - [ 0.0053907700000000, 0.0022548000000000, -0.0049365500000000 ] - [ 0.0069471200000000, 0.0000000000000000, 0.0041871300000000 ] - [ 0.0069415400000000, -0.0001928700000000, 0.0041432400000000 ] - [ 0.0069415400000000, 0.0001928700000000, 0.0041432400000000 ] - [ 0.0006159000000000, 0.0000000000000000, 0.0000806600000000 ] - [ 0.0005934800000000, 0.0000012900000000, 0.0000803700000000 ] - [ 0.0005934800000000, -0.0000012900000000, 0.0000803700000000 ] - [ -0.0027676400000000, 0.0000000000000000, 0.0001232800000000 ] - [ -0.0010033100000000, -0.0000475300000000, 0.0001381900000000 ] - [ -0.0010033100000000, 0.0000475300000000, 0.0001381900000000 ] - [ -0.0189832000000000, 0.0000000000000000, -0.0001640400000000 ] - [ -0.0028946100000000, -0.0000785800000000, -0.0001752500000000 ] - [ -0.0028946100000000, 0.0000785800000000, -0.0001752500000000 ] - [ 0.0027337400000000, 0.0000000000000000, -0.0000185800000000 ] - [ 0.0006576800000000, 0.0000974300000000, -0.0000674300000000 ] - [ 0.0006576800000000, -0.0000974300000000, -0.0000674300000000 ] - [ 0.0498122900000000, 0.0000000000000000, -0.0003264600000000 ] - [ 0.0021230400000000, 0.0001344800000000, 0.0000571100000000 ] - [ 0.0021230400000000, -0.0001344800000000, 0.0000571100000000 ] - [ -0.0022615000000000, 0.0000000000000000, -0.0001436200000000 ] - [ -0.0005523500000000, -0.0000888200000000, -0.0000136100000000 ] - [ -0.0005523500000000, 0.0000888200000000, -0.0000136100000000 ] - [ 0.0023017900000000, 0.0000000000000000, -0.0000451000000000 ] - [ 0.0001658800000000, 0.0000920500000000, -0.0000125300000000 ] - [ 0.0001658800000000, -0.0000920500000000, -0.0000125300000000 ] - [ -0.0096807400000000, 0.0000625700000000, -0.0020135500000000 ] - [ -0.0095503900000000, 0.0000000000000000, -0.0028330800000000 ] - [ -0.0096807400000000, -0.0000625700000000, -0.0020135500000000 ] - [ -0.0111722500000000, -0.0000118700000000, 0.0051252300000000 ] - [ -0.0111779100000000, 0.0000000000000000, 0.0051236000000000 ] - [ -0.0111722500000000, 0.0000118700000000, 0.0051252300000000 ] - [ -0.0034790500000000, 0.0000070200000000, 0.0084663100000000 ] - [ -0.0034744000000000, 0.0000000000000000, 0.0084551700000000 ] - [ -0.0034790500000000, -0.0000070200000000, 0.0084663100000000 ] - [ -0.0059380200000000, -0.0000761900000000, 0.0061219000000000 ] - [ -0.0059734300000000, 0.0000000000000000, 0.0052640800000000 ] - [ -0.0059380200000000, 0.0000761900000000, 0.0061219000000000 ] - [ -0.0104864700000000, 0.0130852000000000, -0.0062599700000000 ] - [ -0.0064031100000000, 0.0000000000000000, 0.0054811800000000 ] - [ -0.0104864700000000, -0.0130852000000000, -0.0062599700000000 ] - [ -0.0114795900000000, -0.0127917600000000, 0.0165363700000000 ] - [ -0.0075820600000000, 0.0000000000000000, 0.0050468800000000 ] - [ -0.0114795900000000, 0.0127917600000000, 0.0165363700000000 ] - [ -0.0066589000000000, 0.0000776500000000, 0.0022848600000000 ] - [ -0.0067430700000000, 0.0000000000000000, 0.0032052700000000 ] - [ -0.0066589000000000, -0.0000776500000000, 0.0022848600000000 ] - [ -0.0102112800000000, -0.0124405700000000, -0.0090594400000000 ] - [ -0.0069270400000000, 0.0000000000000000, 0.0044018500000000 ] - [ -0.0102112800000000, 0.0124405700000000, -0.0090594400000000 ] - [ -0.0089112700000000, -0.0000985900000000, 0.0012373500000000 ] - [ -0.0088246300000000, 0.0000000000000000, 0.0020845700000000 ] - [ -0.0089112700000000, 0.0000985900000000, 0.0012373500000000 ] - [ -0.0102068000000000, 0.0124711500000000, 0.0185429700000000 ] - [ -0.0069091400000000, 0.0000000000000000, 0.0053157400000000 ] - [ -0.0102068000000000, -0.0124711500000000, 0.0185429700000000 ]- atom: 112 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005353500000000, -0.0001941400000000, -0.0000656200000000 ] - [ -0.0005351200000000, 0.0000967100000000, -0.0001239700000000 ] - [ -0.0005353500000000, 0.0000968600000000, -0.0000061600000000 ] - [ -0.0001332300000000, -0.0002089400000000, 0.0000590700000000 ] - [ -0.0001352800000000, 0.0001045700000000, 0.0001173500000000 ] - [ -0.0001306400000000, 0.0001046000000000, 0.0000006200000000 ] - [ -0.0001558400000000, -0.0002072700000000, 0.0003102500000000 ] - [ -0.0001518000000000, 0.0001039900000000, 0.0003746000000000 ] - [ -0.0001595800000000, 0.0001040200000000, 0.0002459300000000 ] - [ 0.0044871400000000, 0.0012459000000000, -0.0037006800000000 ] - [ 0.0044313800000000, -0.0006163000000000, -0.0034294900000000 ] - [ 0.0045440900000000, -0.0006195800000000, -0.0039702000000000 ] - [ 0.0096363100000000, 0.0004950400000000, -0.0034444200000000 ] - [ 0.0096248500000000, -0.0002476700000000, -0.0034380000000000 ] - [ 0.0096478200000000, -0.0002479200000000, -0.0034509000000000 ] - [ 0.0013794000000000, 0.0005156000000000, -0.0072148000000000 ] - [ 0.0013804800000000, -0.0002576200000000, -0.0072119100000000 ] - [ 0.0013782900000000, -0.0002581200000000, -0.0072176300000000 ] - [ -0.0013167700000000, 0.0005700500000000, 0.0016766900000000 ] - [ -0.0006467300000000, -0.0009473400000000, -0.0013002700000000 ] - [ 0.0000205000000000, 0.0005632800000000, -0.0042822600000000 ] - [ 0.0020577900000000, 0.0001606600000000, 0.0007696500000000 ] - [ 0.0019692100000000, -0.0003268600000000, 0.0002569700000000 ] - [ 0.0018849200000000, 0.0001596200000000, -0.0002561700000000 ] - [ -0.0003451300000000, 0.0001027200000000, -0.0014748500000000 ] - [ -0.0003186700000000, -0.0002034400000000, -0.0019780400000000 ] - [ -0.0002922900000000, 0.0001022200000000, -0.0024814800000000 ] - [ 0.0018700100000000, 0.0002755200000000, 0.0005666300000000 ] - [ 0.0019474400000000, -0.0005632100000000, 0.0000552000000000 ] - [ 0.0020232300000000, 0.0002749600000000, -0.0004555700000000 ] - [ 0.0000310200000000, 0.0000993300000000, -0.0008792900000000 ] - [ -0.0000496300000000, -0.0001985800000000, -0.0013274700000000 ] - [ -0.0001310400000000, 0.0000991900000000, -0.0017783200000000 ] - [ 0.0022591200000000, 0.0009839400000000, 0.0016654400000000 ] - [ 0.0022800200000000, -0.0015911100000000, -0.0000916800000000 ] - [ 0.0023035800000000, 0.0009729300000000, -0.0018420400000000 ] - [ 0.0013204800000000, 0.0005749800000000, 0.0024854900000000 ] - [ 0.0003437300000000, -0.0009627700000000, -0.0012323200000000 ] - [ -0.0006293900000000, 0.0005697100000000, -0.0049503100000000 ] - [ -0.0010819500000000, 0.0006093700000000, -0.0052825500000000 ] - [ -0.0005049900000000, -0.0010678300000000, -0.0019474000000000 ] - [ 0.0000688100000000, 0.0006041300000000, 0.0013886200000000 ] - [ 0.0022199800000000, 0.0010017500000000, -0.0016054500000000 ] - [ 0.0024822600000000, -0.0016196100000000, 0.0005389000000000 ] - [ 0.0027471500000000, 0.0009940200000000, 0.0026774100000000 ] - [ 0.0048891400000000, -0.0012213100000000, -0.0023355700000000 ] - [ -0.0004751700000000, -0.0019557500000000, -0.0011572100000000 ] - [ -0.0058835800000000, -0.0013269500000000, 0.0000247400000000 ] - [ 0.0048820000000000, 0.0007118500000000, 0.0046719700000000 ] - [ 0.0026061400000000, -0.0017945600000000, 0.0004453700000000 ] - [ 0.0003330600000000, 0.0005145600000000, -0.0039238300000000 ] - [ -0.0039096600000000, 0.0004856600000000, -0.0030741400000000 ] - [ 0.0001285400000000, -0.0019500200000000, -0.0015096600000000 ] - [ 0.0042986500000000, 0.0002954200000000, 0.0000573400000000 ] - [ 0.0029934800000000, 0.0002044600000000, -0.0008881100000000 ] - [ 0.0029361500000000, -0.0004144800000000, -0.0003511400000000 ] - [ 0.0028790400000000, 0.0002034200000000, 0.0001858500000000 ] - [ 0.0004188100000000, 0.0005815900000000, -0.0049663500000000 ] - [ -0.0002817400000000, -0.0010053400000000, -0.0014166400000000 ] - [ -0.0009789500000000, 0.0005779300000000, 0.0021297400000000 ] - [ 0.0014149700000000, 0.0000386400000000, -0.0001796700000000 ] - [ 0.0014156400000000, -0.0000773800000000, -0.0001821000000000 ] - [ 0.0014163700000000, 0.0000391300000000, -0.0001843600000000 ] - [ 0.0005056100000000, 0.0000929200000000, -0.0011003500000000 ] - [ 0.0004186700000000, -0.0001815900000000, -0.0004555200000000 ] - [ 0.0003316400000000, 0.0000927200000000, 0.0001894000000000 ] - [ 0.0022498500000000, 0.0001867700000000, -0.0006338900000000 ] - [ 0.0023485500000000, -0.0003719200000000, -0.0001662600000000 ] - [ 0.0024472700000000, 0.0001863000000000, 0.0003013200000000 ] - [ -0.0001348200000000, 0.0000907100000000, -0.0026122400000000 ] - [ -0.0001251600000000, -0.0001798600000000, -0.0020622100000000 ] - [ -0.0001156300000000, 0.0000904000000000, -0.0015126700000000 ] - [ 0.0043480500000000, 0.0003700600000000, -0.0039884200000000 ] - [ 0.0024313500000000, -0.0018840500000000, 0.0001825400000000 ] - [ 0.0005172500000000, 0.0001867300000000, 0.0044838800000000 ] - [ 0.0024095800000000, 0.0000461300000000, 0.0002531100000000 ] - [ 0.0024134800000000, -0.0000917900000000, 0.0002614500000000 ] - [ 0.0024174500000000, 0.0000459800000000, 0.0002697700000000 ] - [ 0.0055367100000000, 0.0102830500000000, -0.0034746400000000 ] - [ 0.0047484600000000, -0.0034018200000000, -0.0024474100000000 ] - [ 0.0062987200000000, -0.0034092700000000, -0.0044806200000000 ] - [ 0.0046596700000000, 0.0108660200000000, -0.0034007500000000 ] - [ 0.0039699500000000, -0.0039516500000000, -0.0044248600000000 ] - [ 0.0053238900000000, -0.0039574400000000, -0.0023942100000000 ] - [ 0.0049472500000000, 0.0013974000000000, -0.0025805800000000 ] - [ 0.0049414900000000, -0.0006939900000000, -0.0023012000000000 ] - [ 0.0049521700000000, -0.0006964700000000, -0.0028584500000000 ] - [ 0.0069230100000000, 0.0014912100000000, -0.0006721500000000 ] - [ 0.0068608600000000, -0.0007379400000000, -0.0009303100000000 ] - [ 0.0069853700000000, -0.0007393400000000, -0.0004151300000000 ] - [ 0.0047133600000000, 0.0110003900000000, -0.0043447600000000 ] - [ 0.0054659000000000, -0.0040172200000000, -0.0034431100000000 ] - [ 0.0039793100000000, -0.0040244400000000, -0.0052188800000000 ] - [ 0.0051960200000000, 0.0112085200000000, -0.0039912200000000 ] - [ 0.0058518700000000, -0.0044697900000000, -0.0048627800000000 ] - [ 0.0045574600000000, -0.0044754500000000, -0.0031411800000000 ] - [ 0.0068772100000000, 0.0014973200000000, 0.0043667400000000 ] - [ 0.0068840000000000, -0.0007428300000000, 0.0041221300000000 ] - [ 0.0068698900000000, -0.0007443800000000, 0.0046103900000000 ] - [ 0.0004316800000000, -0.0004509800000000, 0.0001080800000000 ] - [ 0.0004304000000000, 0.0002257200000000, -0.0000158300000000 ] - [ 0.0004322700000000, 0.0002259800000000, 0.0002326500000000 ] - [ -0.0003040300000000, -0.0018461400000000, 0.0000934700000000 ] - [ -0.0003699000000000, 0.0008948600000000, -0.0005426900000000 ] - [ -0.0002351400000000, 0.0008956400000000, 0.0007190700000000 ] - [ -0.0003958500000000, -0.0063068800000000, -0.0001708500000000 ] - [ -0.0004598200000000, 0.0028960000000000, -0.0003712500000000 ] - [ -0.0003337000000000, 0.0028956600000000, 0.0000325600000000 ] - [ -0.0000343900000000, -0.0035573300000000, 0.0000650600000000 ] - [ 0.0000714700000000, 0.0015876300000000, -0.0013328400000000 ] - [ -0.0001426900000000, 0.0015887900000000, 0.0014266200000000 ] - [ -0.0006552300000000, -0.0532762300000000, 0.0000404500000000 ] - [ -0.0004315400000000, 0.0099978700000000, -0.0000871800000000 ] - [ -0.0007290300000000, 0.0098713800000000, 0.0001652700000000 ] - [ 0.0000891600000000, -0.0019069900000000, 0.0000252400000000 ] - [ 0.0000391400000000, 0.0009255500000000, 0.0008035000000000 ] - [ 0.0001410500000000, 0.0009266100000000, -0.0007447900000000 ] - [ -0.0006065500000000, -0.0036282900000000, -0.0001775000000000 ] - [ -0.0004685400000000, 0.0016728400000000, 0.0012382100000000 ] - [ -0.0007456300000000, 0.0016724700000000, -0.0015594400000000 ] - [ -0.0096293700000000, -0.0006890000000000, -0.0009210200000000 ] - [ -0.0094364600000000, 0.0013667100000000, -0.0033070400000000 ] - [ -0.0092438200000000, -0.0006873300000000, -0.0056928400000000 ] - [ -0.0112091500000000, -0.0002123100000000, 0.0052532800000000 ] - [ -0.0111812200000000, 0.0004266700000000, 0.0051861200000000 ] - [ -0.0111537000000000, -0.0002117300000000, 0.0051204500000000 ] - [ -0.0034502900000000, -0.0002222600000000, 0.0085750400000000 ] - [ -0.0034627400000000, 0.0004459900000000, 0.0084933700000000 ] - [ -0.0034749800000000, -0.0002221600000000, 0.0084109400000000 ] - [ -0.0061329700000000, -0.0005405600000000, 0.0032318800000000 ] - [ -0.0059683100000000, 0.0010797700000000, 0.0049160500000000 ] - [ -0.0058079500000000, -0.0005367800000000, 0.0066030700000000 ] - [ -0.0200172900000000, 0.0007594000000000, -0.0069260000000000 ] - [ -0.0063970100000000, 0.0058536200000000, 0.0057598100000000 ] - [ 0.0071363000000000, 0.0007951100000000, 0.0183754100000000 ] - [ 0.0030366600000000, 0.0006808300000000, -0.0078599700000000 ] - [ -0.0075216300000000, 0.0052236900000000, 0.0047726400000000 ] - [ -0.0180098300000000, 0.0007254800000000, 0.0173325300000000 ] - [ -0.0066309200000000, -0.0005853000000000, 0.0014365400000000 ] - [ -0.0067567000000000, 0.0011699000000000, 0.0036376300000000 ] - [ -0.0068817600000000, -0.0005857800000000, 0.0058427900000000 ] - [ 0.0038166500000000, 0.0007477000000000, 0.0194092800000000 ] - [ -0.0069538800000000, 0.0057685000000000, 0.0044827400000000 ] - [ -0.0176538600000000, 0.0007800500000000, -0.0103620100000000 ] - [ -0.0086380600000000, -0.0006348200000000, 0.0045037700000000 ] - [ -0.0087622800000000, 0.0012637200000000, 0.0025054600000000 ] - [ -0.0088864500000000, -0.0006337800000000, 0.0005042600000000 ] - [ -0.0196865900000000, 0.0007935500000000, 0.0189322400000000 ] - [ -0.0070026100000000, 0.0062489100000000, 0.0051565300000000 ] - [ 0.0055982600000000, 0.0008124500000000, -0.0085434700000000 ]- atom: 112 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005390800000000, 0.0000000000000000, 0.0005279300000000 ] - [ -0.0005365200000000, -0.0000614700000000, 0.0004220600000000 ] - [ -0.0005365200000000, 0.0000614700000000, 0.0004220600000000 ] - [ -0.0001490700000000, 0.0000000000000000, 0.0006321000000000 ] - [ -0.0001482300000000, 0.0000641800000000, 0.0005345300000000 ] - [ -0.0001482300000000, -0.0000641800000000, 0.0005345300000000 ] - [ -0.0001367300000000, 0.0000000000000000, 0.0009493200000000 ] - [ -0.0001393900000000, 0.0000641700000000, 0.0008493300000000 ] - [ -0.0001393900000000, -0.0000641700000000, 0.0008493300000000 ] - [ 0.0046160300000000, 0.0000000000000000, -0.0048809100000000 ] - [ 0.0044725700000000, 0.0006555400000000, -0.0043603600000000 ] - [ 0.0044725700000000, -0.0006555400000000, -0.0043603600000000 ] - [ 0.0097515700000000, 0.0000000000000000, -0.0042115000000000 ] - [ 0.0097407100000000, -0.0000053800000000, -0.0041483900000000 ] - [ 0.0097407100000000, 0.0000053800000000, -0.0041483900000000 ] - [ 0.0012670200000000, 0.0000000000000000, -0.0079966400000000 ] - [ 0.0012763400000000, -0.0000002200000000, -0.0079328100000000 ] - [ 0.0012763400000000, 0.0000002200000000, -0.0079328100000000 ] - [ 0.0001348200000000, 0.0011444000000000, -0.0031652500000000 ] - [ -0.0005569100000000, 0.0000000000000000, -0.0010727900000000 ] - [ 0.0001348200000000, -0.0011444000000000, -0.0031652500000000 ] - [ 0.0018380600000000, 0.0002276700000000, -0.0005523000000000 ] - [ 0.0019048000000000, 0.0000000000000000, -0.0000833100000000 ] - [ 0.0018380600000000, -0.0002276700000000, -0.0005523000000000 ] - [ -0.0003730700000000, 0.0000861600000000, -0.0048031100000000 ] - [ -0.0003852600000000, 0.0000000000000000, -0.0041233000000000 ] - [ -0.0003730700000000, -0.0000861600000000, -0.0048031100000000 ] - [ 0.0018806300000000, 0.0004227400000000, -0.0010949100000000 ] - [ 0.0018805400000000, 0.0000000000000000, -0.0005440200000000 ] - [ 0.0018806300000000, -0.0004227400000000, -0.0010949100000000 ] - [ -0.0000464000000000, 0.0000886500000000, -0.0039973300000000 ] - [ -0.0000090700000000, 0.0000000000000000, -0.0033652300000000 ] - [ -0.0000464000000000, -0.0000886500000000, -0.0039973300000000 ] - [ 0.0025308700000000, 0.0019836100000000, 0.0020140700000000 ] - [ 0.0022462200000000, 0.0000000000000000, 0.0009038100000000 ] - [ 0.0025308700000000, -0.0019836100000000, 0.0020140700000000 ] - [ -0.0003627600000000, 0.0010117000000000, -0.0037186000000000 ] - [ 0.0003925800000000, 0.0000000000000000, -0.0010959700000000 ] - [ -0.0003627600000000, -0.0010117000000000, -0.0037186000000000 ] - [ -0.0012775400000000, -0.0011193800000000, -0.0041217600000000 ] - [ -0.0007064800000000, 0.0000000000000000, -0.0019281500000000 ] - [ -0.0012775400000000, 0.0011193800000000, -0.0041217600000000 ] - [ 0.0023845000000000, -0.0019322900000000, 0.0016240000000000 ] - [ 0.0025921900000000, 0.0000000000000000, 0.0012617100000000 ] - [ 0.0023845000000000, 0.0019322900000000, 0.0016240000000000 ] - [ -0.0001098000000000, -0.0003064400000000, 0.0117578400000000 ] - [ -0.0004370100000000, 0.0000000000000000, 0.0030887600000000 ] - [ -0.0001098000000000, 0.0003064400000000, 0.0117578400000000 ] - [ 0.0006060300000000, 0.0043984400000000, 0.0016661700000000 ] - [ 0.0028593100000000, 0.0000000000000000, 0.0015114000000000 ] - [ 0.0006060300000000, -0.0043984400000000, 0.0016661700000000 ] - [ -0.0000401600000000, -0.0002798000000000, 0.0109822100000000 ] - [ 0.0001533100000000, 0.0000000000000000, 0.0025002700000000 ] - [ -0.0000401600000000, 0.0002798000000000, 0.0109822100000000 ] - [ 0.0029888800000000, -0.0002793900000000, -0.0012847300000000 ] - [ 0.0029328400000000, 0.0000000000000000, -0.0007969600000000 ] - [ 0.0029888800000000, 0.0002793900000000, -0.0012847300000000 ] - [ 0.0003878500000000, -0.0009473300000000, -0.0040241300000000 ] - [ -0.0001977900000000, 0.0000000000000000, -0.0016036800000000 ] - [ 0.0003878500000000, 0.0009473300000000, -0.0040241300000000 ] - [ 0.0013220900000000, 0.0000047500000000, -0.0009249700000000 ] - [ 0.0013353100000000, 0.0000000000000000, -0.0007702500000000 ] - [ 0.0013220900000000, -0.0000047500000000, -0.0009249700000000 ] - [ 0.0004460500000000, -0.0000750800000000, -0.0035792200000000 ] - [ 0.0004035500000000, 0.0000000000000000, -0.0028351900000000 ] - [ 0.0004460500000000, 0.0000750800000000, -0.0035792200000000 ] - [ 0.0023274600000000, -0.0002354500000000, -0.0010559400000000 ] - [ 0.0023848100000000, 0.0000000000000000, -0.0006435500000000 ] - [ 0.0023274600000000, 0.0002354500000000, -0.0010559400000000 ] - [ -0.0001060600000000, -0.0000753500000000, -0.0050465000000000 ] - [ -0.0000983400000000, 0.0000000000000000, -0.0043839200000000 ] - [ -0.0001060600000000, 0.0000753500000000, -0.0050465000000000 ] - [ 0.0044612200000000, -0.0043368200000000, 0.0012210300000000 ] - [ 0.0022830600000000, 0.0000000000000000, 0.0011372700000000 ] - [ 0.0044612200000000, 0.0043368200000000, 0.0012210300000000 ] - [ 0.0024636800000000, 0.0000016000000000, -0.0005362300000000 ] - [ 0.0024593900000000, 0.0000000000000000, -0.0003758100000000 ] - [ 0.0024636800000000, -0.0000016000000000, -0.0005362300000000 ] - [ 0.0080839700000000, 0.0000000000000000, -0.0003215900000000 ] - [ 0.0061506800000000, 0.0026195600000000, -0.0019511700000000 ] - [ 0.0061506800000000, -0.0026195600000000, -0.0019511700000000 ] - [ 0.0001682000000000, 0.0000000000000000, -0.0028322200000000 ] - [ 0.0040264400000000, -0.0026049300000000, -0.0024008400000000 ] - [ 0.0040264400000000, 0.0026049300000000, -0.0024008400000000 ] - [ 0.0049383600000000, 0.0000000000000000, -0.0037429000000000 ] - [ 0.0049488000000000, 0.0007097500000000, -0.0032604600000000 ] - [ 0.0049488000000000, -0.0007097500000000, -0.0032604600000000 ] - [ 0.0067251900000000, 0.0000000000000000, -0.0018126600000000 ] - [ 0.0068544900000000, -0.0007146600000000, -0.0013524700000000 ] - [ 0.0068544900000000, 0.0007146600000000, -0.0013524700000000 ] - [ 0.0001371400000000, 0.0000000000000000, -0.0034383500000000 ] - [ 0.0038286600000000, 0.0031961900000000, -0.0027871500000000 ] - [ 0.0038286600000000, -0.0031961900000000, -0.0027871500000000 ] - [ 0.0109220400000000, 0.0000000000000000, -0.0050934200000000 ] - [ 0.0060349700000000, -0.0031742700000000, -0.0030438200000000 ] - [ 0.0060349700000000, 0.0031742700000000, -0.0030438200000000 ] - [ 0.0069527300000000, 0.0000000000000000, 0.0033540500000000 ] - [ 0.0069488600000000, -0.0007125200000000, 0.0037329300000000 ] - [ 0.0069488600000000, 0.0007125200000000, 0.0037329300000000 ] - [ 0.0004329900000000, 0.0000000000000000, 0.0013273000000000 ] - [ 0.0004275900000000, -0.0001504100000000, 0.0011067300000000 ] - [ 0.0004275900000000, 0.0001504100000000, 0.0011067300000000 ] - [ -0.0002080200000000, 0.0000000000000000, 0.0020950300000000 ] - [ -0.0002297000000000, -0.0007473800000000, 0.0004013600000000 ] - [ -0.0002297000000000, 0.0007473800000000, 0.0004013600000000 ] - [ -0.0004368800000000, 0.0000000000000000, -0.0075313800000000 ] - [ -0.0004075100000000, 0.0001349900000000, -0.0031246700000000 ] - [ -0.0004075100000000, -0.0001349900000000, -0.0031246700000000 ] - [ -0.0002506000000000, 0.0000000000000000, 0.0098366600000000 ] - [ -0.0001554800000000, -0.0014220000000000, 0.0010805400000000 ] - [ -0.0001554800000000, 0.0014220000000000, 0.0010805400000000 ] - [ -0.0001733900000000, 0.0000000000000000, -0.0573709100000000 ] - [ -0.0005955500000000, 0.0001127700000000, -0.0046712700000000 ] - [ -0.0005955500000000, -0.0001127700000000, -0.0046712700000000 ] - [ 0.0000657000000000, 0.0000000000000000, 0.0022348200000000 ] - [ 0.0000375900000000, 0.0006766400000000, 0.0004161000000000 ] - [ 0.0000375900000000, -0.0006766400000000, 0.0004161000000000 ] - [ -0.0003377200000000, 0.0000000000000000, 0.0093734600000000 ] - [ -0.0004710100000000, 0.0013966700000000, 0.0008447300000000 ] - [ -0.0004710100000000, -0.0013966700000000, 0.0008447300000000 ] - [ -0.0098651300000000, 0.0007798500000000, 0.0009705500000000 ] - [ -0.0096821900000000, 0.0000000000000000, -0.0012531600000000 ] - [ -0.0098651300000000, -0.0007798500000000, 0.0009705500000000 ] - [ -0.0115346100000000, -0.0000039400000000, 0.0090900200000000 ] - [ -0.0114759300000000, 0.0000000000000000, 0.0083541900000000 ] - [ -0.0115346100000000, 0.0000039400000000, 0.0090900200000000 ] - [ -0.0029694600000000, -0.0000046200000000, 0.0125124400000000 ] - [ -0.0030564000000000, 0.0000000000000000, 0.0117394600000000 ] - [ -0.0029694600000000, 0.0000046200000000, 0.0125124400000000 ] - [ -0.0057502200000000, -0.0006978100000000, 0.0080731500000000 ] - [ -0.0058610200000000, 0.0000000000000000, 0.0062959100000000 ] - [ -0.0057502200000000, 0.0006978100000000, 0.0080731500000000 ] - [ 0.0065307500000000, -0.0131606800000000, 0.0042367200000000 ] - [ -0.0065276800000000, 0.0000000000000000, 0.0027441200000000 ] - [ 0.0065307500000000, 0.0131606800000000, 0.0042367200000000 ] - [ -0.0181440000000000, -0.0134651400000000, 0.0029575900000000 ] - [ -0.0076259000000000, 0.0000000000000000, 0.0018109300000000 ] - [ -0.0181440000000000, 0.0134651400000000, 0.0029575900000000 ] - [ -0.0067870100000000, -0.0007137700000000, 0.0072578100000000 ] - [ -0.0067363200000000, 0.0000000000000000, 0.0051369900000000 ] - [ -0.0067870100000000, 0.0007137700000000, 0.0072578100000000 ] - [ 0.0037705900000000, 0.0136305800000000, 0.0031880900000000 ] - [ -0.0070035200000000, 0.0000000000000000, 0.0015187000000000 ] - [ 0.0037705900000000, -0.0136305800000000, 0.0031880900000000 ] - [ -0.0084963500000000, 0.0007414900000000, 0.0060987400000000 ] - [ -0.0086147900000000, 0.0000000000000000, 0.0042168200000000 ] - [ -0.0084963500000000, -0.0007414900000000, 0.0060987400000000 ] - [ -0.0201342800000000, 0.0131066000000000, 0.0036089200000000 ] - [ -0.0069646700000000, 0.0000000000000000, 0.0021382300000000 ] - [ -0.0201342800000000, -0.0131066000000000, 0.0036089200000000 ]- atom: 112 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005313700000000, 0.0000000000000000, -0.0006588900000000 ] - [ -0.0005339500000000, 0.0000616200000000, -0.0005539200000000 ] - [ -0.0005339500000000, -0.0000616200000000, -0.0005539200000000 ] - [ -0.0001159300000000, 0.0000000000000000, -0.0005141600000000 ] - [ -0.0001173300000000, -0.0000639500000000, -0.0004170800000000 ] - [ -0.0001173300000000, 0.0000639500000000, -0.0004170800000000 ] - [ -0.0001747300000000, 0.0000000000000000, -0.0003282100000000 ] - [ -0.0001719000000000, -0.0000638400000000, -0.0002287000000000 ] - [ -0.0001719000000000, 0.0000638400000000, -0.0002287000000000 ] - [ 0.0043532000000000, 0.0000000000000000, -0.0025152800000000 ] - [ 0.0045023200000000, -0.0006552900000000, -0.0030395200000000 ] - [ 0.0045023200000000, 0.0006552900000000, -0.0030395200000000 ] - [ 0.0095210900000000, 0.0000000000000000, -0.0026770900000000 ] - [ 0.0095320400000000, 0.0000049000000000, -0.0027404700000000 ] - [ 0.0095320400000000, -0.0000049000000000, -0.0027404700000000 ] - [ 0.0014914300000000, 0.0000000000000000, -0.0064329500000000 ] - [ 0.0014820000000000, -0.0000001200000000, -0.0064968200000000 ] - [ 0.0014820000000000, 0.0000001200000000, -0.0064968200000000 ] - [ -0.0014352800000000, -0.0011500100000000, 0.0005533900000000 ] - [ -0.0007363300000000, 0.0000000000000000, -0.0015339000000000 ] - [ -0.0014352800000000, 0.0011500100000000, 0.0005533900000000 ] - [ 0.0021041100000000, -0.0002279900000000, 0.0010652100000000 ] - [ 0.0020329400000000, 0.0000000000000000, 0.0005962400000000 ] - [ 0.0021041100000000, 0.0002279900000000, 0.0010652100000000 ] - [ -0.0002646400000000, -0.0000863200000000, 0.0008480000000000 ] - [ -0.0002524200000000, 0.0000000000000000, 0.0001667500000000 ] - [ -0.0002646400000000, 0.0000863200000000, 0.0008480000000000 ] - [ 0.0020141700000000, -0.0004274200000000, 0.0012084100000000 ] - [ 0.0020147500000000, 0.0000000000000000, 0.0006531600000000 ] - [ 0.0020141700000000, 0.0004274200000000, 0.0012084100000000 ] - [ -0.0000536400000000, -0.0000893500000000, 0.0013415400000000 ] - [ -0.0000902500000000, 0.0000000000000000, 0.0007113200000000 ] - [ -0.0000536400000000, 0.0000893500000000, 0.0013415400000000 ] - [ 0.0020298400000000, -0.0019887300000000, -0.0022066200000000 ] - [ 0.0023141900000000, 0.0000000000000000, -0.0010899500000000 ] - [ 0.0020298400000000, 0.0019887300000000, -0.0022066200000000 ] - [ 0.0010546600000000, -0.0010164400000000, 0.0012442600000000 ] - [ 0.0002940900000000, 0.0000000000000000, -0.0013744600000000 ] - [ 0.0010546600000000, 0.0010164400000000, 0.0012442600000000 ] - [ 0.0002601800000000, 0.0011124500000000, 0.0002370600000000 ] - [ -0.0003038100000000, 0.0000000000000000, -0.0019588300000000 ] - [ 0.0002601800000000, -0.0011124500000000, 0.0002370600000000 ] - [ 0.0025835000000000, 0.0019243200000000, -0.0005374200000000 ] - [ 0.0023731300000000, 0.0000000000000000, -0.0001814900000000 ] - [ 0.0025835000000000, -0.0019243200000000, -0.0005374200000000 ] - [ -0.0008596900000000, 0.0003276000000000, -0.0140607300000000 ] - [ -0.0005171100000000, 0.0000000000000000, -0.0054045800000000 ] - [ -0.0008596900000000, -0.0003276000000000, -0.0140607300000000 ] - [ 0.0046080400000000, -0.0042751000000000, -0.0009643400000000 ] - [ 0.0023497300000000, 0.0000000000000000, -0.0006285700000000 ] - [ 0.0046080400000000, 0.0042751000000000, -0.0009643400000000 ] - [ 0.0003259500000000, 0.0002975000000000, -0.0139896500000000 ] - [ 0.0001098800000000, 0.0000000000000000, -0.0055212600000000 ] - [ 0.0003259500000000, -0.0002975000000000, -0.0139896500000000 ] - [ 0.0028822200000000, 0.0002791100000000, 0.0005846000000000 ] - [ 0.0029384100000000, 0.0000000000000000, 0.0000970900000000 ] - [ 0.0028822200000000, -0.0002791100000000, 0.0005846000000000 ] - [ -0.0009460900000000, 0.0009411400000000, 0.0011979700000000 ] - [ -0.0003659100000000, 0.0000000000000000, -0.0012230700000000 ] - [ -0.0009460900000000, -0.0009411400000000, 0.0011979700000000 ] - [ 0.0015089900000000, -0.0000054000000000, 0.0005607700000000 ] - [ 0.0014955900000000, 0.0000000000000000, 0.0004056900000000 ] - [ 0.0015089900000000, 0.0000054000000000, 0.0005607700000000 ] - [ 0.0003913000000000, 0.0000747900000000, 0.0026705800000000 ] - [ 0.0004338500000000, 0.0000000000000000, 0.0019273600000000 ] - [ 0.0003913000000000, -0.0000747900000000, 0.0026705800000000 ] - [ 0.0023708400000000, 0.0002333800000000, 0.0007237800000000 ] - [ 0.0023125800000000, 0.0000000000000000, 0.0003130900000000 ] - [ 0.0023708400000000, -0.0002333800000000, 0.0007237800000000 ] - [ -0.0001447200000000, 0.0000749900000000, 0.0009224500000000 ] - [ -0.0001523000000000, 0.0000000000000000, 0.0002612100000000 ] - [ -0.0001447200000000, -0.0000749900000000, 0.0009224500000000 ] - [ 0.0004031100000000, 0.0044583300000000, -0.0006760600000000 ] - [ 0.0025765900000000, 0.0000000000000000, -0.0007651300000000 ] - [ 0.0004031100000000, -0.0044583300000000, -0.0006760600000000 ] - [ 0.0023629700000000, -0.0000015900000000, 0.0010593200000000 ] - [ 0.0023673000000000, 0.0000000000000000, 0.0008988800000000 ] - [ 0.0023629700000000, 0.0000015900000000, 0.0010593200000000 ] - [ 0.0031736900000000, 0.0000000000000000, -0.0068636100000000 ] - [ 0.0049010100000000, -0.0026209100000000, -0.0049897700000000 ] - [ 0.0049010100000000, 0.0026209100000000, -0.0049897700000000 ] - [ 0.0092442300000000, 0.0000000000000000, -0.0037987600000000 ] - [ 0.0052706700000000, 0.0026067000000000, -0.0044074900000000 ] - [ 0.0052706700000000, -0.0026067000000000, -0.0044074900000000 ] - [ 0.0049590900000000, 0.0000000000000000, -0.0014146500000000 ] - [ 0.0049453000000000, -0.0007111900000000, -0.0018996500000000 ] - [ 0.0049453000000000, 0.0007111900000000, -0.0018996500000000 ] - [ 0.0071165200000000, 0.0000000000000000, 0.0004656900000000 ] - [ 0.0069914000000000, 0.0007126100000000, 0.0000082900000000 ] - [ 0.0069914000000000, -0.0007126100000000, 0.0000082900000000 ] - [ 0.0092063300000000, 0.0000000000000000, -0.0053833100000000 ] - [ 0.0056143500000000, -0.0031995000000000, -0.0058856300000000 ] - [ 0.0056143500000000, 0.0031995000000000, -0.0058856300000000 ] - [ -0.0005479700000000, 0.0000000000000000, -0.0028062400000000 ] - [ 0.0043727200000000, 0.0031732100000000, -0.0049517100000000 ] - [ 0.0043727200000000, -0.0031732100000000, -0.0049517100000000 ] - [ 0.0068038000000000, 0.0000000000000000, 0.0053783600000000 ] - [ 0.0068054100000000, 0.0007108400000000, 0.0050012500000000 ] - [ 0.0068054100000000, -0.0007108400000000, 0.0050012500000000 ] - [ 0.0004306000000000, 0.0000000000000000, -0.0011132300000000 ] - [ 0.0004355000000000, 0.0001514200000000, -0.0008908700000000 ] - [ 0.0004355000000000, -0.0001514200000000, -0.0008908700000000 ] - [ -0.0004001600000000, 0.0000000000000000, -0.0019158800000000 ] - [ -0.0003755500000000, 0.0007491200000000, -0.0002220900000000 ] - [ -0.0003755500000000, -0.0007491200000000, -0.0002220900000000 ] - [ -0.0003547300000000, 0.0000000000000000, 0.0071956400000000 ] - [ -0.0003857300000000, -0.0001427900000000, 0.0027885500000000 ] - [ -0.0003857300000000, 0.0001427900000000, 0.0027885500000000 ] - [ 0.0001827600000000, 0.0000000000000000, -0.0098794600000000 ] - [ 0.0000838300000000, 0.0014241300000000, -0.0009832600000000 ] - [ 0.0000838300000000, -0.0014241300000000, -0.0009832600000000 ] - [ -0.0011614600000000, 0.0000000000000000, 0.0575667300000000 ] - [ -0.0005652500000000, -0.0001412400000000, 0.0047519900000000 ] - [ -0.0005652500000000, 0.0001412400000000, 0.0047519900000000 ] - [ 0.0001140900000000, 0.0000000000000000, -0.0021741800000000 ] - [ 0.0001429600000000, -0.0006762400000000, -0.0003603200000000 ] - [ 0.0001429600000000, 0.0006762400000000, -0.0003603200000000 ] - [ -0.0008729400000000, 0.0000000000000000, -0.0095624300000000 ] - [ -0.0007437100000000, -0.0013949000000000, -0.0011691300000000 ] - [ -0.0007437100000000, 0.0013949000000000, -0.0011691300000000 ] - [ -0.0090105600000000, -0.0007765400000000, -0.0075870600000000 ] - [ -0.0091906400000000, 0.0000000000000000, -0.0053672400000000 ] - [ -0.0090105600000000, 0.0007765400000000, -0.0075870600000000 ] - [ -0.0108280000000000, 0.0000041400000000, 0.0012815900000000 ] - [ -0.0108861700000000, 0.0000000000000000, 0.0020161200000000 ] - [ -0.0108280000000000, -0.0000041400000000, 0.0012815900000000 ] - [ -0.0039559300000000, 0.0000052400000000, 0.0044712100000000 ] - [ -0.0038692400000000, 0.0000000000000000, 0.0052453200000000 ] - [ -0.0039559300000000, -0.0000052400000000, 0.0044712100000000 ] - [ -0.0061874900000000, 0.0006993000000000, 0.0017582000000000 ] - [ -0.0060737300000000, 0.0000000000000000, 0.0035391000000000 ] - [ -0.0061874900000000, -0.0006993000000000, 0.0017582000000000 ] - [ -0.0194055800000000, 0.0132350100000000, 0.0073206300000000 ] - [ -0.0062614600000000, 0.0000000000000000, 0.0087859300000000 ] - [ -0.0194055800000000, -0.0132350100000000, 0.0073206300000000 ] - [ 0.0031697700000000, 0.0135412700000000, 0.0066254300000000 ] - [ -0.0074195200000000, 0.0000000000000000, 0.0077431000000000 ] - [ 0.0031697700000000, -0.0135412700000000, 0.0066254300000000 ] - [ -0.0067277500000000, 0.0007196300000000, 0.0000196400000000 ] - [ -0.0067772500000000, 0.0000000000000000, 0.0021412400000000 ] - [ -0.0067277500000000, -0.0007196300000000, 0.0000196400000000 ] - [ -0.0176067800000000, -0.0135468500000000, 0.0057325700000000 ] - [ -0.0069069500000000, 0.0000000000000000, 0.0074389900000000 ] - [ -0.0176067800000000, 0.0135468500000000, 0.0057325700000000 ] - [ -0.0090256900000000, -0.0007374200000000, -0.0010929500000000 ] - [ -0.0089089300000000, 0.0000000000000000, 0.0007871800000000 ] - [ -0.0090256900000000, 0.0007374200000000, -0.0010929500000000 ] - [ 0.0060447200000000, -0.0130216800000000, 0.0066672100000000 ] - [ -0.0070357800000000, 0.0000000000000000, 0.0081673500000000 ] - [ 0.0060447200000000, 0.0130216800000000, 0.0066672100000000 ]- atom: 115 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0006092200000000, 0.0000000000000000, -0.0000603400000000 ] - [ -0.0005955600000000, 0.0000016300000000, -0.0000645500000000 ] - [ -0.0005955600000000, -0.0000016300000000, -0.0000645500000000 ] - [ -0.0015586100000000, 0.0000000000000000, -0.0000532700000000 ] - [ -0.0005054500000000, -0.0000024300000000, 0.0000090100000000 ] - [ -0.0005054500000000, 0.0000024300000000, 0.0000090100000000 ] - [ 0.0009244300000000, 0.0000000000000000, 0.0002540200000000 ] - [ 0.0001583000000000, 0.0000414300000000, 0.0003160000000000 ] - [ 0.0001583000000000, -0.0000414300000000, 0.0003160000000000 ] - [ 0.0044728000000000, 0.0000000000000000, -0.0036939300000000 ] - [ 0.0044748900000000, 0.0000104200000000, -0.0036956600000000 ] - [ 0.0044748900000000, -0.0000104200000000, -0.0036956600000000 ] - [ 0.0095494300000000, 0.0000000000000000, -0.0031561100000000 ] - [ 0.0095496400000000, 0.0002046600000000, -0.0032240100000000 ] - [ 0.0095496400000000, -0.0002046600000000, -0.0032240100000000 ] - [ 0.0013314300000000, 0.0000000000000000, -0.0075545800000000 ] - [ 0.0013375100000000, -0.0002542800000000, -0.0074532500000000 ] - [ 0.0013375100000000, 0.0002542800000000, -0.0074532500000000 ] - [ -0.0006749800000000, 0.0000234900000000, -0.0015660800000000 ] - [ -0.0006554400000000, 0.0000000000000000, -0.0014497400000000 ] - [ -0.0006749800000000, -0.0000234900000000, -0.0015660800000000 ] - [ 0.0021103100000000, -0.0000000500000000, 0.0002627100000000 ] - [ 0.0020785500000000, 0.0000000000000000, 0.0002611400000000 ] - [ 0.0021103100000000, 0.0000000500000000, 0.0002627100000000 ] - [ -0.0003280600000000, -0.0000357500000000, -0.0023244400000000 ] - [ -0.0003398400000000, 0.0000000000000000, -0.0021570000000000 ] - [ -0.0003280600000000, 0.0000357500000000, -0.0023244400000000 ] - [ 0.0018222600000000, -0.0000013900000000, 0.0000533600000000 ] - [ 0.0018489000000000, 0.0000000000000000, 0.0000553500000000 ] - [ 0.0018222600000000, 0.0000013900000000, 0.0000533600000000 ] - [ -0.0001376400000000, 0.0000290600000000, -0.0009859600000000 ] - [ -0.0000992900000000, 0.0000000000000000, -0.0011205200000000 ] - [ -0.0001376400000000, -0.0000290600000000, -0.0009859600000000 ] - [ 0.0027808900000000, -0.0000062800000000, -0.0000852300000000 ] - [ 0.0025408200000000, 0.0000000000000000, -0.0001017300000000 ] - [ 0.0027808900000000, 0.0000062800000000, -0.0000852300000000 ] - [ 0.0004115700000000, -0.0000261800000000, -0.0009646900000000 ] - [ 0.0003741200000000, 0.0000000000000000, -0.0010791300000000 ] - [ 0.0004115700000000, 0.0000261800000000, -0.0009646900000000 ] - [ -0.0035091600000000, 0.0059729400000000, -0.0010716200000000 ] - [ -0.0006836800000000, 0.0000000000000000, -0.0022363600000000 ] - [ -0.0035091600000000, -0.0059729400000000, -0.0010716200000000 ] - [ 0.0105591700000000, 0.0001133700000000, 0.0005249900000000 ] - [ 0.0032836000000000, 0.0000000000000000, 0.0005149400000000 ] - [ 0.0105591700000000, -0.0001133700000000, 0.0005249900000000 ] - [ -0.0001972200000000, -0.0009459700000000, 0.0013291400000000 ] - [ -0.0004396200000000, 0.0000000000000000, -0.0006408300000000 ] - [ -0.0001972200000000, 0.0009459700000000, 0.0013291400000000 ] - [ 0.0021535800000000, -0.0000005100000000, 0.0004468900000000 ] - [ 0.0023604500000000, 0.0000000000000000, 0.0004477600000000 ] - [ 0.0021535800000000, 0.0000005100000000, 0.0004468900000000 ] - [ 0.0000058800000000, 0.0009132300000000, -0.0039647300000000 ] - [ 0.0000893700000000, 0.0000000000000000, -0.0020624500000000 ] - [ 0.0000058800000000, -0.0009132300000000, -0.0039647300000000 ] - [ 0.0122604100000000, 0.0000551500000000, -0.0004138300000000 ] - [ 0.0039919100000000, 0.0000000000000000, -0.0003429800000000 ] - [ 0.0122604100000000, -0.0000551500000000, -0.0004138300000000 ] - [ -0.0028997800000000, -0.0058970500000000, -0.0029515000000000 ] - [ -0.0003918600000000, 0.0000000000000000, -0.0012814300000000 ] - [ -0.0028997800000000, 0.0058970500000000, -0.0029515000000000 ] - [ 0.0020564600000000, -0.0000043500000000, -0.0001861400000000 ] - [ 0.0017571200000000, 0.0000000000000000, -0.0001674600000000 ] - [ 0.0020564600000000, 0.0000043500000000, -0.0001861400000000 ] - [ 0.0010643500000000, -0.0008527800000000, -0.0032423800000000 ] - [ 0.0005063600000000, 0.0000000000000000, -0.0010619100000000 ] - [ 0.0010643500000000, 0.0008527800000000, -0.0032423800000000 ] - [ -0.0027188200000000, -0.0001431600000000, -0.0003788800000000 ] - [ 0.0014255900000000, 0.0000000000000000, -0.0001567200000000 ] - [ -0.0027188200000000, 0.0001431600000000, -0.0003788800000000 ] - [ 0.0000266400000000, 0.0007438200000000, 0.0003710700000000 ] - [ -0.0001084300000000, 0.0000000000000000, -0.0013674700000000 ] - [ 0.0000266400000000, -0.0007438200000000, 0.0003710700000000 ] - [ -0.0024943500000000, -0.0000943400000000, 0.0002713000000000 ] - [ 0.0016176300000000, 0.0000000000000000, 0.0001527400000000 ] - [ -0.0024943500000000, 0.0000943400000000, 0.0002713000000000 ] - [ 0.0017960300000000, -0.0000057300000000, 0.0002408300000000 ] - [ 0.0020808100000000, 0.0000000000000000, 0.0002694000000000 ] - [ 0.0017960300000000, 0.0000057300000000, 0.0002408300000000 ] - [ 0.0054964500000000, 0.0000000000000000, -0.0037023200000000 ] - [ 0.0054955600000000, 0.0002026400000000, -0.0037116300000000 ] - [ 0.0054955600000000, -0.0002026400000000, -0.0037116300000000 ] - [ 0.0049080500000000, 0.0000000000000000, -0.0065214700000000 ] - [ 0.0045969900000000, 0.0018054800000000, -0.0041565700000000 ] - [ 0.0045969900000000, -0.0018054800000000, -0.0041565700000000 ] - [ 0.0049497700000000, 0.0000000000000000, -0.0025865400000000 ] - [ 0.0049502700000000, -0.0000143800000000, -0.0025839900000000 ] - [ 0.0049502700000000, 0.0000143800000000, -0.0025839900000000 ] - [ 0.0057661500000000, 0.0000000000000000, 0.0035652300000000 ] - [ 0.0068777800000000, 0.0022881700000000, 0.0000845100000000 ] - [ 0.0068777800000000, -0.0022881700000000, 0.0000845100000000 ] - [ 0.0047221900000000, 0.0000000000000000, -0.0040911600000000 ] - [ 0.0047380400000000, -0.0002216000000000, -0.0040858500000000 ] - [ 0.0047380400000000, 0.0002216000000000, -0.0040858500000000 ] - [ 0.0060918700000000, 0.0000000000000000, -0.0013913300000000 ] - [ 0.0055673600000000, -0.0019144300000000, -0.0032795900000000 ] - [ 0.0055673600000000, 0.0019144300000000, -0.0032795900000000 ] - [ 0.0064342300000000, 0.0000000000000000, 0.0007259700000000 ] - [ 0.0074109100000000, -0.0025195600000000, 0.0035861400000000 ] - [ 0.0074109100000000, 0.0025195600000000, 0.0035861400000000 ] - [ 0.0006294300000000, 0.0000000000000000, 0.0001125600000000 ] - [ 0.0005937600000000, 0.0000066600000000, 0.0001065600000000 ] - [ 0.0005937600000000, -0.0000066600000000, 0.0001065600000000 ] - [ -0.0004566100000000, 0.0000000000000000, 0.0000873400000000 ] - [ -0.0004380300000000, 0.0000011400000000, 0.0000891400000000 ] - [ -0.0004380300000000, -0.0000011400000000, 0.0000891400000000 ] - [ -0.0031810900000000, 0.0000000000000000, -0.0002979300000000 ] - [ -0.0010949000000000, -0.0000383400000000, -0.0001081700000000 ] - [ -0.0010949000000000, 0.0000383400000000, -0.0001081700000000 ] - [ 0.0001109800000000, 0.0000000000000000, 0.0000432900000000 ] - [ 0.0000927800000000, 0.0000047000000000, 0.0000431200000000 ] - [ 0.0000927800000000, -0.0000047000000000, 0.0000431200000000 ] - [ 0.0017708000000000, 0.0000000000000000, 0.0000158200000000 ] - [ 0.0000616500000000, 0.0000513600000000, -0.0000128100000000 ] - [ 0.0000616500000000, -0.0000513600000000, -0.0000128100000000 ] - [ -0.0476948000000000, 0.0000000000000000, -0.0032981400000000 ] - [ -0.0023696600000000, -0.0000606000000000, 0.0000695400000000 ] - [ -0.0023696600000000, 0.0000606000000000, 0.0000695400000000 ] - [ 0.0182508900000000, 0.0000000000000000, -0.0000895400000000 ] - [ 0.0019842600000000, 0.0000564300000000, -0.0001163700000000 ] - [ 0.0019842600000000, -0.0000564300000000, -0.0001163700000000 ] - [ -0.0069996700000000, 0.0142243800000000, 0.0110072100000000 ] - [ -0.0096156800000000, 0.0000000000000000, -0.0031907700000000 ] - [ -0.0069996700000000, -0.0142243800000000, 0.0110072100000000 ] - [ -0.0110071900000000, -0.0001380400000000, 0.0035974400000000 ] - [ -0.0111268500000000, 0.0000000000000000, 0.0045973300000000 ] - [ -0.0110071900000000, 0.0001380400000000, 0.0035974400000000 ] - [ -0.0032759000000000, 0.0002032700000000, 0.0102447500000000 ] - [ -0.0034054100000000, 0.0000000000000000, 0.0089987200000000 ] - [ -0.0032759000000000, -0.0002032700000000, 0.0102447500000000 ] - [ -0.0059916600000000, -0.0000053700000000, 0.0048765800000000 ] - [ -0.0059915400000000, 0.0000000000000000, 0.0048879200000000 ] - [ -0.0059916600000000, 0.0000053700000000, 0.0048765800000000 ] - [ -0.0064001600000000, 0.0000734700000000, 0.0044885800000000 ] - [ -0.0063968000000000, 0.0000000000000000, 0.0053864800000000 ] - [ -0.0064001600000000, -0.0000734700000000, 0.0044885800000000 ] - [ -0.0075729800000000, -0.0000631300000000, 0.0060175900000000 ] - [ -0.0075436100000000, 0.0000000000000000, 0.0051602700000000 ] - [ -0.0075729800000000, 0.0000631300000000, 0.0060175900000000 ] - [ -0.0067629600000000, 0.0000124800000000, 0.0036663400000000 ] - [ -0.0067616500000000, 0.0000000000000000, 0.0036476900000000 ] - [ -0.0067629600000000, -0.0000124800000000, 0.0036663400000000 ] - [ -0.0036691100000000, -0.0134633100000000, 0.0169796400000000 ] - [ -0.0069616700000000, 0.0000000000000000, 0.0048393900000000 ] - [ -0.0036691100000000, 0.0134633100000000, 0.0169796400000000 ] - [ -0.0068769800000000, -0.0129918800000000, -0.0099795100000000 ] - [ -0.0088757700000000, 0.0000000000000000, 0.0023907200000000 ] - [ -0.0068769800000000, 0.0129918800000000, -0.0099795100000000 ] - [ -0.0031713400000000, 0.0127051000000000, -0.0062965800000000 ] - [ -0.0069580400000000, 0.0000000000000000, 0.0049422700000000 ] - [ -0.0031713400000000, -0.0127051000000000, -0.0062965800000000 ]- atom: 115 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0004612400000000, 0.0000000000000000, -0.0000697900000000 ] - [ -0.0004754500000000, -0.0000015400000000, -0.0000664900000000 ] - [ -0.0004754500000000, 0.0000015400000000, -0.0000664900000000 ] - [ 0.0012937900000000, 0.0000000000000000, 0.0001540300000000 ] - [ 0.0002405600000000, 0.0000006200000000, 0.0001061400000000 ] - [ 0.0002405600000000, -0.0000006200000000, 0.0001061400000000 ] - [ -0.0012367800000000, 0.0000000000000000, 0.0003693800000000 ] - [ -0.0004698500000000, -0.0000412000000000, 0.0003064400000000 ] - [ -0.0004698500000000, 0.0000412000000000, 0.0003064400000000 ] - [ 0.0045011400000000, 0.0000000000000000, -0.0037053900000000 ] - [ 0.0044999000000000, -0.0000085000000000, -0.0037037000000000 ] - [ 0.0044999000000000, 0.0000085000000000, -0.0037037000000000 ] - [ 0.0097231800000000, 0.0000000000000000, -0.0037321900000000 ] - [ 0.0097229600000000, -0.0002041500000000, -0.0036648400000000 ] - [ 0.0097229600000000, 0.0002041500000000, -0.0036648400000000 ] - [ 0.0014270000000000, 0.0000000000000000, -0.0068753000000000 ] - [ 0.0014208500000000, 0.0002546000000000, -0.0069768600000000 ] - [ 0.0014208500000000, -0.0002546000000000, -0.0069768600000000 ] - [ -0.0006186000000000, -0.0000234700000000, -0.0010371800000000 ] - [ -0.0006381000000000, 0.0000000000000000, -0.0011535900000000 ] - [ -0.0006186000000000, 0.0000234700000000, -0.0010371800000000 ] - [ 0.0018302800000000, 0.0000001300000000, 0.0002504200000000 ] - [ 0.0018576000000000, 0.0000000000000000, 0.0002520000000000 ] - [ 0.0018302800000000, -0.0000001300000000, 0.0002504200000000 ] - [ -0.0003097300000000, 0.0000358500000000, -0.0016313800000000 ] - [ -0.0002979000000000, 0.0000000000000000, -0.0017994300000000 ] - [ -0.0003097300000000, -0.0000358500000000, -0.0016313800000000 ] - [ 0.0020710300000000, 0.0000014000000000, 0.0000570600000000 ] - [ 0.0020467900000000, 0.0000000000000000, 0.0000547800000000 ] - [ 0.0020710300000000, -0.0000014000000000, 0.0000570600000000 ] - [ 0.0000376800000000, -0.0000292200000000, -0.0016689200000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0015323700000000 ] - [ 0.0000376800000000, 0.0000292200000000, -0.0016689200000000 ] - [ 0.0017776100000000, 0.0000064400000000, -0.0000995800000000 ] - [ 0.0020182200000000, 0.0000000000000000, -0.0000831200000000 ] - [ 0.0017776100000000, -0.0000064400000000, -0.0000995800000000 ] - [ 0.0002757900000000, 0.0000261500000000, -0.0015005500000000 ] - [ 0.0003132200000000, 0.0000000000000000, -0.0013876500000000 ] - [ 0.0002757900000000, -0.0000261500000000, -0.0015005500000000 ] - [ 0.0023835200000000, -0.0059395500000000, -0.0028212700000000 ] - [ -0.0003273400000000, 0.0000000000000000, -0.0016547900000000 ] - [ 0.0023835200000000, 0.0059395500000000, -0.0028212700000000 ] - [ -0.0056048200000000, -0.0001225900000000, 0.0005549900000000 ] - [ 0.0016820300000000, 0.0000000000000000, 0.0005627300000000 ] - [ -0.0056048200000000, 0.0001225900000000, 0.0005549900000000 ] - [ -0.0007538600000000, 0.0009425700000000, -0.0036360000000000 ] - [ -0.0005148600000000, 0.0000000000000000, -0.0016720800000000 ] - [ -0.0007538600000000, -0.0009425700000000, -0.0036360000000000 ] - [ 0.0030578900000000, 0.0000007800000000, 0.0004364200000000 ] - [ 0.0028492700000000, 0.0000000000000000, 0.0004362400000000 ] - [ 0.0030578900000000, -0.0000007800000000, 0.0004364200000000 ] - [ 0.0002535200000000, -0.0009161500000000, 0.0009436000000000 ] - [ 0.0001736800000000, 0.0000000000000000, -0.0009567500000000 ] - [ 0.0002535200000000, 0.0009161500000000, 0.0009436000000000 ] - [ -0.0063924200000000, -0.0000685000000000, -0.0002944800000000 ] - [ 0.0018809200000000, 0.0000000000000000, -0.0003562000000000 ] - [ -0.0063924200000000, 0.0000685000000000, -0.0002944800000000 ] - [ 0.0024448300000000, 0.0059243300000000, 0.0001168500000000 ] - [ -0.0001713000000000, 0.0000000000000000, -0.0015483100000000 ] - [ 0.0024448300000000, -0.0059243300000000, 0.0001168500000000 ] - [ 0.0007756700000000, 0.0000046000000000, -0.0001778700000000 ] - [ 0.0010742100000000, 0.0000000000000000, -0.0001972100000000 ] - [ 0.0007756700000000, -0.0000046000000000, -0.0001778700000000 ] - [ -0.0002209100000000, 0.0008500900000000, 0.0023283000000000 ] - [ 0.0003316600000000, 0.0000000000000000, 0.0001514900000000 ] - [ -0.0002209100000000, -0.0008500900000000, 0.0023283000000000 ] - [ 0.0074205200000000, 0.0001362300000000, 0.0000379600000000 ] - [ 0.0032714100000000, 0.0000000000000000, -0.0001745400000000 ] - [ 0.0074205200000000, -0.0001362300000000, 0.0000379600000000 ] - [ -0.0002811000000000, -0.0007465200000000, -0.0044941300000000 ] - [ -0.0001425800000000, 0.0000000000000000, -0.0027568300000000 ] - [ -0.0002811000000000, 0.0007465200000000, -0.0044941300000000 ] - [ 0.0073549800000000, 0.0000847900000000, 0.0001124000000000 ] - [ 0.0032412900000000, 0.0000000000000000, 0.0002188200000000 ] - [ 0.0073549800000000, -0.0000847900000000, 0.0001124000000000 ] - [ 0.0030299400000000, 0.0000060100000000, 0.0002826400000000 ] - [ 0.0027457200000000, 0.0000000000000000, 0.0002535400000000 ] - [ 0.0030299400000000, -0.0000060100000000, 0.0002826400000000 ] - [ 0.0055583500000000, 0.0000000000000000, -0.0032330500000000 ] - [ 0.0055582300000000, -0.0002029000000000, -0.0032231200000000 ] - [ 0.0055582300000000, 0.0002029000000000, -0.0032231200000000 ] - [ 0.0041617400000000, 0.0000000000000000, -0.0004621000000000 ] - [ 0.0046971500000000, -0.0018060200000000, -0.0026529400000000 ] - [ 0.0046971500000000, 0.0018060200000000, -0.0026529400000000 ] - [ 0.0049439400000000, 0.0000000000000000, -0.0025730300000000 ] - [ 0.0049434700000000, 0.0000148700000000, -0.0025757400000000 ] - [ 0.0049434700000000, -0.0000148700000000, -0.0025757400000000 ] - [ 0.0079191000000000, 0.0000000000000000, -0.0048070400000000 ] - [ 0.0069632300000000, -0.0022895100000000, -0.0014336700000000 ] - [ 0.0069632300000000, 0.0022895100000000, -0.0014336700000000 ] - [ 0.0047165400000000, 0.0000000000000000, -0.0045760300000000 ] - [ 0.0047016700000000, 0.0002214000000000, -0.0045818800000000 ] - [ 0.0047016700000000, -0.0002214000000000, -0.0045818800000000 ] - [ 0.0045465100000000, 0.0000000000000000, -0.0067808800000000 ] - [ 0.0048433400000000, 0.0019091300000000, -0.0047156000000000 ] - [ 0.0048433400000000, -0.0019091300000000, -0.0047156000000000 ] - [ 0.0074760700000000, 0.0000000000000000, 0.0081124700000000 ] - [ 0.0063502200000000, 0.0025143000000000, 0.0051426800000000 ] - [ 0.0063502200000000, -0.0025143000000000, 0.0051426800000000 ] - [ 0.0002342100000000, 0.0000000000000000, 0.0001016200000000 ] - [ 0.0002690000000000, -0.0000067300000000, 0.0001083700000000 ] - [ 0.0002690000000000, 0.0000067300000000, 0.0001083700000000 ] - [ -0.0001499600000000, 0.0000000000000000, 0.0000917800000000 ] - [ -0.0001667000000000, -0.0000002200000000, 0.0000890500000000 ] - [ -0.0001667000000000, 0.0000002200000000, 0.0000890500000000 ] - [ 0.0023865500000000, 0.0000000000000000, -0.0000099700000000 ] - [ 0.0003020800000000, 0.0000345300000000, -0.0002263000000000 ] - [ 0.0003020800000000, -0.0000345300000000, -0.0002263000000000 ] - [ -0.0001821600000000, 0.0000000000000000, 0.0000539900000000 ] - [ -0.0001647300000000, -0.0000049800000000, 0.0000545000000000 ] - [ -0.0001647300000000, 0.0000049800000000, 0.0000545000000000 ] - [ -0.0029321100000000, 0.0000000000000000, 0.0000600200000000 ] - [ -0.0012235300000000, -0.0000503700000000, 0.0000913300000000 ] - [ -0.0012235300000000, 0.0000503700000000, 0.0000913300000000 ] - [ 0.0478989900000000, 0.0000000000000000, 0.0034764000000000 ] - [ 0.0025487300000000, 0.0000314800000000, -0.0000110600000000 ] - [ 0.0025487300000000, -0.0000314800000000, -0.0000110600000000 ] - [ -0.0195088200000000, 0.0000000000000000, -0.0002375500000000 ] - [ -0.0031980300000000, -0.0000492300000000, -0.0002071800000000 ] - [ -0.0031980300000000, 0.0000492300000000, -0.0002071800000000 ] - [ -0.0119154900000000, -0.0141408000000000, -0.0175261600000000 ] - [ -0.0092595700000000, 0.0000000000000000, -0.0034259000000000 ] - [ -0.0119154900000000, 0.0141408000000000, -0.0175261600000000 ] - [ -0.0113551100000000, 0.0001371800000000, 0.0067712200000000 ] - [ -0.0112352800000000, 0.0000000000000000, 0.0057730000000000 ] - [ -0.0113551100000000, -0.0001371800000000, 0.0067712200000000 ] - [ -0.0036495900000000, -0.0002033200000000, 0.0067408200000000 ] - [ -0.0035200900000000, 0.0000000000000000, 0.0079871700000000 ] - [ -0.0036495900000000, 0.0002033200000000, 0.0067408200000000 ] - [ -0.0059474300000000, 0.0000031200000000, 0.0049547400000000 ] - [ -0.0059427000000000, 0.0000000000000000, 0.0049445700000000 ] - [ -0.0059474300000000, -0.0000031200000000, 0.0049547400000000 ] - [ -0.0063908500000000, -0.0000752300000000, 0.0070401000000000 ] - [ -0.0063919300000000, 0.0000000000000000, 0.0061383400000000 ] - [ -0.0063908500000000, 0.0000752300000000, 0.0070401000000000 ] - [ -0.0074706400000000, 0.0000649300000000, 0.0035302900000000 ] - [ -0.0075007100000000, 0.0000000000000000, 0.0043897800000000 ] - [ -0.0074706400000000, -0.0000649300000000, 0.0035302900000000 ] - [ -0.0067478700000000, -0.0000097800000000, 0.0036113000000000 ] - [ -0.0067523600000000, 0.0000000000000000, 0.0036284200000000 ] - [ -0.0067478700000000, 0.0000097800000000, 0.0036113000000000 ] - [ -0.0101988600000000, 0.0135463900000000, -0.0081012600000000 ] - [ -0.0069483700000000, 0.0000000000000000, 0.0041203900000000 ] - [ -0.0101988600000000, -0.0135463900000000, -0.0081012600000000 ] - [ -0.0106024000000000, 0.0130693900000000, 0.0150674000000000 ] - [ -0.0086468800000000, 0.0000000000000000, 0.0026172800000000 ] - [ -0.0106024000000000, -0.0130693900000000, 0.0150674000000000 ] - [ -0.0108518300000000, -0.0126203700000000, 0.0165173300000000 ] - [ -0.0070418100000000, 0.0000000000000000, 0.0053644700000000 ] - [ -0.0108518300000000, 0.0126203700000000, 0.0165173300000000 ]- atom: 115 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005354000000000, -0.0002221600000000, -0.0000659500000000 ] - [ -0.0005349100000000, 0.0001107600000000, -0.0000010900000000 ] - [ -0.0005361900000000, 0.0001106500000000, -0.0001291300000000 ] - [ -0.0001323700000000, -0.0018320700000000, 0.0000514100000000 ] - [ -0.0001436900000000, 0.0008091800000000, 0.0007110100000000 ] - [ -0.0001218800000000, 0.0008097200000000, -0.0005923000000000 ] - [ -0.0001565700000000, -0.0009038500000000, 0.0003090900000000 ] - [ -0.0001590000000000, 0.0004561500000000, 0.0006604600000000 ] - [ -0.0001526300000000, 0.0004566100000000, -0.0000389500000000 ] - [ 0.0044871700000000, 0.0004838400000000, -0.0036997400000000 ] - [ 0.0044746900000000, -0.0002411100000000, -0.0036971000000000 ] - [ 0.0045005400000000, -0.0002425400000000, -0.0037024000000000 ] - [ 0.0096362200000000, 0.0016455500000000, -0.0034441000000000 ] - [ 0.0096390000000000, -0.0008138100000000, -0.0036277700000000 ] - [ 0.0096334300000000, -0.0008150700000000, -0.0032610300000000 ] - [ 0.0013794300000000, 0.0016303700000000, -0.0072143800000000 ] - [ 0.0013487400000000, -0.0008086200000000, -0.0074006900000000 ] - [ 0.0014100600000000, -0.0008103600000000, -0.0070287000000000 ] - [ -0.0006234600000000, 0.0001133300000000, -0.0007382000000000 ] - [ -0.0006468000000000, -0.0002240200000000, -0.0013018300000000 ] - [ -0.0006701800000000, 0.0001130900000000, -0.0018657000000000 ] - [ 0.0019598100000000, 0.0000530400000000, 0.0002417000000000 ] - [ 0.0019692200000000, -0.0001055300000000, 0.0002565400000000 ] - [ 0.0019820800000000, 0.0000529200000000, 0.0002713300000000 ] - [ -0.0003825600000000, 0.0001131500000000, -0.0027162500000000 ] - [ -0.0003187700000000, -0.0002212400000000, -0.0019782600000000 ] - [ -0.0002551400000000, 0.0001127500000000, -0.0012399800000000 ] - [ 0.0019308500000000, 0.0000668800000000, 0.0000346100000000 ] - [ 0.0019473000000000, -0.0001334400000000, 0.0000549300000000 ] - [ 0.0019626100000000, 0.0000668000000000, 0.0000756200000000 ] - [ 0.0000481900000000, 0.0001131900000000, -0.0020297500000000 ] - [ -0.0000497900000000, -0.0002226200000000, -0.0013271100000000 ] - [ -0.0001483000000000, 0.0001131700000000, -0.0006260300000000 ] - [ 0.0022005200000000, 0.0002460000000000, 0.0004710400000000 ] - [ 0.0022796900000000, -0.0004951900000000, -0.0000922500000000 ] - [ 0.0023575100000000, 0.0002456800000000, -0.0006550000000000 ] - [ 0.0003809100000000, 0.0001070900000000, -0.0007122900000000 ] - [ 0.0003436400000000, -0.0002121900000000, -0.0012342800000000 ] - [ 0.0003062200000000, 0.0001068200000000, -0.0017546400000000 ] - [ 0.0055173600000000, -0.0015746100000000, -0.0027492600000000 ] - [ -0.0005031900000000, -0.0021561900000000, -0.0019454700000000 ] - [ -0.0065454500000000, -0.0016688200000000, -0.0011385700000000 ] - [ 0.0043221900000000, 0.0031241900000000, 0.0028117700000000 ] - [ 0.0024830200000000, -0.0019770900000000, 0.0005436900000000 ] - [ 0.0006415200000000, 0.0028318700000000, -0.0019668600000000 ] - [ -0.0011783000000000, 0.0005504000000000, 0.0020047200000000 ] - [ -0.0004774900000000, -0.0009533800000000, -0.0011555800000000 ] - [ 0.0002195100000000, 0.0005444200000000, -0.0043198900000000 ] - [ 0.0026798400000000, 0.0001807200000000, 0.0010159300000000 ] - [ 0.0026052300000000, -0.0003641800000000, 0.0004421400000000 ] - [ 0.0025332100000000, 0.0001796300000000, -0.0001320000000000 ] - [ 0.0010774600000000, 0.0005958500000000, 0.0024056800000000 ] - [ 0.0001319000000000, -0.0010136100000000, -0.0015078500000000 ] - [ -0.0008105400000000, 0.0005908100000000, -0.0054247100000000 ] - [ 0.0043312800000000, 0.0038073800000000, -0.0017013300000000 ] - [ 0.0029362400000000, -0.0020374000000000, -0.0003545400000000 ] - [ 0.0015422600000000, 0.0034985200000000, 0.0012579900000000 ] - [ -0.0061222100000000, -0.0014192800000000, -0.0025411700000000 ] - [ -0.0002839000000000, -0.0019251000000000, -0.0014149200000000 ] - [ 0.0055803400000000, -0.0015163000000000, -0.0002842600000000 ] - [ 0.0012981100000000, 0.0001238100000000, -0.0007344300000000 ] - [ 0.0014155100000000, -0.0002315500000000, -0.0001824100000000 ] - [ 0.0015325900000000, 0.0001236800000000, 0.0003699300000000 ] - [ -0.0001958600000000, 0.0004404800000000, -0.0045253900000000 ] - [ 0.0004185200000000, -0.0007771700000000, -0.0004566100000000 ] - [ 0.0010308300000000, 0.0004369900000000, 0.0036144700000000 ] - [ 0.0016015400000000, 0.0010036900000000, -0.0020520200000000 ] - [ 0.0023491700000000, -0.0015782800000000, -0.0001660900000000 ] - [ 0.0030982000000000, 0.0009948700000000, 0.0017137400000000 ] - [ 0.0005444300000000, 0.0004657800000000, -0.0060185900000000 ] - [ -0.0001252800000000, -0.0008126400000000, -0.0020641100000000 ] - [ -0.0007927100000000, 0.0004631200000000, 0.0018896300000000 ] - [ 0.0025857800000000, 0.0010363100000000, 0.0020101700000000 ] - [ 0.0024306600000000, -0.0016311800000000, 0.0001866000000000 ] - [ 0.0022797200000000, 0.0010243900000000, -0.0016302500000000 ] - [ 0.0024745100000000, 0.0001405300000000, -0.0003109700000000 ] - [ 0.0024135800000000, -0.0002814700000000, 0.0002612200000000 ] - [ 0.0023530500000000, 0.0001399500000000, 0.0008336600000000 ] - [ 0.0055274500000000, 0.0013491500000000, -0.0034687000000000 ] - [ 0.0055309000000000, -0.0006666600000000, -0.0031659500000000 ] - [ 0.0055229400000000, -0.0006679600000000, -0.0037694400000000 ] - [ 0.0046440500000000, 0.0117055000000000, -0.0034143800000000 ] - [ 0.0054537900000000, -0.0041760600000000, -0.0024828800000000 ] - [ 0.0038519300000000, -0.0041831600000000, -0.0043229700000000 ] - [ 0.0049469900000000, 0.0004845800000000, -0.0025798300000000 ] - [ 0.0049446700000000, -0.0002418500000000, -0.0025798000000000 ] - [ 0.0049491200000000, -0.0002427700000000, -0.0025798100000000 ] - [ 0.0069180000000000, 0.0129016800000000, -0.0006662800000000 ] - [ 0.0075960000000000, -0.0048786100000000, -0.0015256500000000 ] - [ 0.0062551400000000, -0.0048852600000000, 0.0001741900000000 ] - [ 0.0047194800000000, 0.0012438900000000, -0.0043350900000000 ] - [ 0.0046698500000000, -0.0006153500000000, -0.0040592500000000 ] - [ 0.0047697200000000, -0.0006171700000000, -0.0046098600000000 ] - [ 0.0052112600000000, 0.0102255900000000, -0.0040062200000000 ] - [ 0.0043820500000000, -0.0034757500000000, -0.0030333400000000 ] - [ 0.0060158700000000, -0.0034840100000000, -0.0049579700000000 ] - [ 0.0068836400000000, 0.0116753600000000, 0.0043713700000000 ] - [ 0.0060675000000000, -0.0044069800000000, 0.0034277200000000 ] - [ 0.0076812400000000, -0.0044149300000000, 0.0052986500000000 ] - [ 0.0004317600000000, -0.0004590100000000, 0.0001077600000000 ] - [ 0.0004316600000000, 0.0002301200000000, 0.0002338200000000 ] - [ 0.0004312400000000, 0.0002301900000000, -0.0000172600000000 ] - [ -0.0003033100000000, -0.0004347300000000, 0.0000888300000000 ] - [ -0.0002985500000000, 0.0002178600000000, -0.0000317900000000 ] - [ -0.0003060100000000, 0.0002171100000000, 0.0002096600000000 ] - [ -0.0003950300000000, -0.0036801000000000, -0.0001518900000000 ] - [ -0.0002737900000000, 0.0016398300000000, -0.0015730300000000 ] - [ -0.0005180000000000, 0.0016419200000000, 0.0012335900000000 ] - [ -0.0000353600000000, -0.0004139900000000, 0.0000486300000000 ] - [ -0.0000420500000000, 0.0002070100000000, -0.0000749900000000 ] - [ -0.0000294700000000, 0.0002074900000000, 0.0001718900000000 ] - [ -0.0005818000000000, -0.0019065300000000, 0.0000444200000000 ] - [ -0.0006703200000000, 0.0009254400000000, -0.0006367400000000 ] - [ -0.0004924000000000, 0.0009267800000000, 0.0007155900000000 ] - [ 0.0001110100000000, -0.0619545300000000, -0.0000140000000000 ] - [ 0.0001363200000000, 0.0101862100000000, -0.0001352500000000 ] - [ 0.0000448700000000, 0.0100562600000000, 0.0001915200000000 ] - [ -0.0006027400000000, -0.0066127600000000, -0.0001637200000000 ] - [ -0.0007108600000000, 0.0030346500000000, -0.0003968200000000 ] - [ -0.0005060700000000, 0.0030314500000000, 0.0000724000000000 ] - [ 0.0031754000000000, 0.0000845800000000, 0.0120983400000000 ] - [ -0.0094348000000000, 0.0070911900000000, -0.0033058000000000 ] - [ -0.0219706700000000, 0.0001274000000000, -0.0186323200000000 ] - [ -0.0115103300000000, -0.0006987900000000, 0.0080452900000000 ] - [ -0.0111814100000000, 0.0013742300000000, 0.0051873500000000 ] - [ -0.0108526200000000, -0.0006972600000000, 0.0023283200000000 ] - [ -0.0030687800000000, -0.0007077100000000, 0.0112331600000000 ] - [ -0.0034625500000000, 0.0013945600000000, 0.0084941600000000 ] - [ -0.0038566800000000, -0.0007063600000000, 0.0057501800000000 ] - [ -0.0059647500000000, -0.0001925700000000, 0.0049893800000000 ] - [ -0.0059679600000000, 0.0003859900000000, 0.0049162600000000 ] - [ -0.0059746000000000, -0.0001912200000000, 0.0048420400000000 ] - [ -0.0064243500000000, -0.0005462700000000, 0.0038807300000000 ] - [ -0.0063945500000000, 0.0010867700000000, 0.0057618200000000 ] - [ -0.0063671500000000, -0.0005427300000000, 0.0076529100000000 ] - [ -0.0075417100000000, -0.0005668800000000, 0.0024837300000000 ] - [ -0.0075226200000000, 0.0011314600000000, 0.0047740100000000 ] - [ -0.0075026900000000, -0.0005671000000000, 0.0070639200000000 ] - [ -0.0067578700000000, -0.0001953200000000, 0.0037205400000000 ] - [ -0.0067568600000000, 0.0003930500000000, 0.0036380400000000 ] - [ -0.0067539400000000, -0.0001974300000000, 0.0035563600000000 ] - [ -0.0215366200000000, 0.0012724500000000, -0.0096849500000000 ] - [ -0.0069581400000000, 0.0060483400000000, 0.0044767700000000 ] - [ 0.0075281400000000, 0.0013066400000000, 0.0185490500000000 ] - [ -0.0220161900000000, 0.0004337800000000, 0.0169409700000000 ] - [ -0.0087643900000000, 0.0069885900000000, 0.0025074100000000 ] - [ 0.0044040800000000, 0.0004574000000000, -0.0118395600000000 ] - [ 0.0037242300000000, 0.0003383700000000, -0.0068650400000000 ] - [ -0.0069988100000000, 0.0053768000000000, 0.0051515300000000 ] - [ -0.0176563700000000, 0.0003861000000000, 0.0171012600000000 ]- atom: 115 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005387100000000, 0.0000000000000000, 0.0005464500000000 ] - [ -0.0005397400000000, 0.0000694200000000, 0.0004537700000000 ] - [ -0.0005397400000000, -0.0000694200000000, 0.0004537700000000 ] - [ -0.0002473500000000, 0.0000000000000000, 0.0049489000000000 ] - [ -0.0001361800000000, 0.0006907700000000, 0.0006206900000000 ] - [ -0.0001361800000000, -0.0006907700000000, 0.0006206900000000 ] - [ -0.0001482500000000, 0.0000000000000000, 0.0014925600000000 ] - [ -0.0001681400000000, 0.0003529700000000, 0.0006428500000000 ] - [ -0.0001681400000000, -0.0003529700000000, 0.0006428500000000 ] - [ 0.0044091300000000, 0.0000000000000000, -0.0045944600000000 ] - [ 0.0044149200000000, -0.0000037000000000, -0.0045065300000000 ] - [ 0.0044149200000000, 0.0000037000000000, -0.0045065300000000 ] - [ 0.0097842200000000, 0.0000000000000000, -0.0044139500000000 ] - [ 0.0097649900000000, -0.0007775300000000, -0.0041645900000000 ] - [ 0.0097649900000000, 0.0007775300000000, -0.0041645900000000 ] - [ 0.0012157900000000, 0.0000000000000000, -0.0081718200000000 ] - [ 0.0012694100000000, -0.0007513500000000, -0.0079169200000000 ] - [ 0.0012694100000000, 0.0007513500000000, -0.0079169200000000 ] - [ -0.0006599800000000, 0.0000973800000000, -0.0037939200000000 ] - [ -0.0006495700000000, 0.0000000000000000, -0.0031059300000000 ] - [ -0.0006599800000000, -0.0000973800000000, -0.0037939200000000 ] - [ 0.0019029800000000, 0.0000071600000000, -0.0005090000000000 ] - [ 0.0019112500000000, 0.0000000000000000, -0.0003492200000000 ] - [ 0.0019029800000000, -0.0000071600000000, -0.0005090000000000 ] - [ -0.0004024500000000, -0.0000835200000000, -0.0049145200000000 ] - [ -0.0003478600000000, 0.0000000000000000, -0.0041315900000000 ] - [ -0.0004024500000000, 0.0000835200000000, -0.0049145200000000 ] - [ 0.0018961500000000, 0.0000091800000000, -0.0008779200000000 ] - [ 0.0019081500000000, 0.0000000000000000, -0.0006959700000000 ] - [ 0.0018961500000000, -0.0000091800000000, -0.0008779200000000 ] - [ -0.0000496300000000, -0.0000864000000000, -0.0041892500000000 ] - [ -0.0001019000000000, 0.0000000000000000, -0.0034270400000000 ] - [ -0.0000496300000000, 0.0000864000000000, -0.0041892500000000 ] - [ 0.0022328900000000, 0.0003817400000000, -0.0011881800000000 ] - [ 0.0022193300000000, 0.0000000000000000, -0.0006087700000000 ] - [ 0.0022328900000000, -0.0003817400000000, -0.0011881800000000 ] - [ 0.0003353000000000, 0.0000961500000000, -0.0037571900000000 ] - [ 0.0003520500000000, 0.0000000000000000, -0.0030834100000000 ] - [ 0.0003353000000000, -0.0000961500000000, -0.0037571900000000 ] - [ -0.0001124600000000, -0.0003681600000000, 0.0113033400000000 ] - [ -0.0004782100000000, 0.0000000000000000, 0.0023813500000000 ] - [ -0.0001124600000000, 0.0003681600000000, 0.0113033400000000 ] - [ 0.0008985300000000, 0.0024957600000000, 0.0036554500000000 ] - [ 0.0026372700000000, 0.0000000000000000, 0.0017490600000000 ] - [ 0.0008985300000000, -0.0024957600000000, 0.0036554500000000 ] - [ 0.0003471900000000, 0.0011646300000000, -0.0032980500000000 ] - [ -0.0003610400000000, 0.0000000000000000, -0.0010497000000000 ] - [ 0.0003471900000000, -0.0011646300000000, -0.0032980500000000 ] - [ 0.0025231000000000, 0.0002471200000000, -0.0005018800000000 ] - [ 0.0025795900000000, 0.0000000000000000, 0.0000242400000000 ] - [ 0.0025231000000000, -0.0002471200000000, -0.0005018800000000 ] - [ -0.0006263900000000, 0.0011515500000000, -0.0040233400000000 ] - [ 0.0001351600000000, 0.0000000000000000, -0.0013278700000000 ] - [ -0.0006263900000000, -0.0011515500000000, -0.0040233400000000 ] - [ 0.0040243700000000, -0.0014998300000000, 0.0033378400000000 ] - [ 0.0027305600000000, 0.0000000000000000, 0.0007030600000000 ] - [ 0.0040243700000000, 0.0014998300000000, 0.0033378400000000 ] - [ -0.0008055400000000, -0.0005090700000000, 0.0105246900000000 ] - [ -0.0002957200000000, 0.0000000000000000, 0.0026441500000000 ] - [ -0.0008055400000000, 0.0005090700000000, 0.0105246900000000 ] - [ 0.0012423300000000, -0.0001236100000000, -0.0010909100000000 ] - [ 0.0013451100000000, 0.0000000000000000, -0.0006019200000000 ] - [ 0.0012423300000000, 0.0001236100000000, -0.0010909100000000 ] - [ -0.0004551400000000, -0.0009372700000000, -0.0035590500000000 ] - [ 0.0002591400000000, 0.0000000000000000, -0.0008403000000000 ] - [ -0.0004551400000000, 0.0009372700000000, -0.0035590500000000 ] - [ 0.0017616700000000, -0.0020698400000000, 0.0010063600000000 ] - [ 0.0024105900000000, 0.0000000000000000, 0.0004143800000000 ] - [ 0.0017616700000000, 0.0020698400000000, 0.0010063600000000 ] - [ 0.0005353600000000, -0.0008966000000000, -0.0056015900000000 ] - [ -0.0000807500000000, 0.0000000000000000, -0.0026524200000000 ] - [ 0.0005353600000000, 0.0008966000000000, -0.0056015900000000 ] - [ 0.0026282900000000, 0.0020619500000000, 0.0020518200000000 ] - [ 0.0024840700000000, 0.0000000000000000, 0.0011158900000000 ] - [ 0.0026282900000000, -0.0020619500000000, 0.0020518200000000 ] - [ 0.0025215400000000, -0.0001577200000000, -0.0006821800000000 ] - [ 0.0024634600000000, 0.0000000000000000, -0.0001809500000000 ] - [ 0.0025215400000000, 0.0001577200000000, -0.0006821800000000 ] - [ 0.0054281000000000, 0.0000000000000000, -0.0046722700000000 ] - [ 0.0054672500000000, 0.0006791600000000, -0.0041540300000000 ] - [ 0.0054672500000000, -0.0006791600000000, -0.0041540300000000 ] - [ 0.0005537100000000, 0.0000000000000000, -0.0016032100000000 ] - [ 0.0037209300000000, 0.0033045800000000, -0.0018123200000000 ] - [ 0.0037209300000000, -0.0033045800000000, -0.0018123200000000 ] - [ 0.0050355200000000, 0.0000000000000000, -0.0034685400000000 ] - [ 0.0050263400000000, -0.0000021800000000, -0.0033835600000000 ] - [ 0.0050263400000000, 0.0000021800000000, -0.0033835600000000 ] - [ 0.0121807500000000, 0.0000000000000000, -0.0004458000000000 ] - [ 0.0077499200000000, -0.0037187100000000, 0.0005659400000000 ] - [ 0.0077499200000000, 0.0037187100000000, 0.0005659400000000 ] - [ 0.0048988200000000, 0.0000000000000000, -0.0055432700000000 ] - [ 0.0047607800000000, 0.0006513300000000, -0.0050195600000000 ] - [ 0.0047607800000000, -0.0006513300000000, -0.0050195600000000 ] - [ 0.0087743700000000, 0.0000000000000000, -0.0017897000000000 ] - [ 0.0059053500000000, 0.0028367500000000, -0.0025101000000000 ] - [ 0.0059053500000000, -0.0028367500000000, -0.0025101000000000 ] - [ 0.0020266500000000, 0.0000000000000000, 0.0048061400000000 ] - [ 0.0061177700000000, -0.0035127400000000, 0.0055773700000000 ] - [ 0.0061177700000000, 0.0035127400000000, 0.0055773700000000 ] - [ 0.0004387100000000, 0.0000000000000000, 0.0013050300000000 ] - [ 0.0004384300000000, 0.0001338400000000, 0.0011245100000000 ] - [ 0.0004384300000000, -0.0001338400000000, 0.0011245100000000 ] - [ -0.0003144800000000, 0.0000000000000000, 0.0012777500000000 ] - [ -0.0003132000000000, -0.0001434900000000, 0.0010572400000000 ] - [ -0.0003132000000000, 0.0001434900000000, 0.0010572400000000 ] - [ -0.0006928600000000, 0.0000000000000000, 0.0096308700000000 ] - [ -0.0004722900000000, -0.0014528200000000, 0.0008746200000000 ] - [ -0.0004722900000000, 0.0014528200000000, 0.0008746200000000 ] - [ -0.0000138500000000, 0.0000000000000000, 0.0012738000000000 ] - [ -0.0000166300000000, -0.0001317000000000, 0.0010465700000000 ] - [ -0.0000166300000000, 0.0001317000000000, 0.0010465700000000 ] - [ -0.0004080900000000, 0.0000000000000000, 0.0022443600000000 ] - [ -0.0005388700000000, -0.0007737900000000, 0.0004284700000000 ] - [ -0.0005388700000000, 0.0007737900000000, 0.0004284700000000 ] - [ -0.0032556000000000, 0.0000000000000000, -0.0671976700000000 ] - [ 0.0001337100000000, 0.0001497800000000, -0.0052517500000000 ] - [ 0.0001337100000000, -0.0001497800000000, -0.0052517500000000 ] - [ -0.0006809400000000, 0.0000000000000000, -0.0078262900000000 ] - [ -0.0006381400000000, 0.0001897400000000, -0.0032041600000000 ] - [ -0.0006381400000000, -0.0001897400000000, -0.0032041600000000 ] - [ 0.0042076400000000, 0.0159440500000000, -0.0031798800000000 ] - [ -0.0092982300000000, 0.0000000000000000, -0.0061781900000000 ] - [ 0.0042076400000000, -0.0159440500000000, -0.0031798800000000 ] - [ -0.0117157700000000, 0.0007261600000000, 0.0101241400000000 ] - [ -0.0113553000000000, 0.0000000000000000, 0.0073211500000000 ] - [ -0.0117157700000000, -0.0007261600000000, 0.0101241400000000 ] - [ -0.0027806600000000, 0.0007289600000000, 0.0132419100000000 ] - [ -0.0032059600000000, 0.0000000000000000, 0.0105735500000000 ] - [ -0.0027806600000000, -0.0007289600000000, 0.0132419100000000 ] - [ -0.0056371100000000, -0.0000022700000000, 0.0080495400000000 ] - [ -0.0056934900000000, 0.0000000000000000, 0.0073882400000000 ] - [ -0.0056371100000000, 0.0000022700000000, 0.0080495400000000 ] - [ -0.0064286100000000, -0.0007028800000000, 0.0091214100000000 ] - [ -0.0064002600000000, 0.0000000000000000, 0.0071818100000000 ] - [ -0.0064286100000000, 0.0007028800000000, 0.0091214100000000 ] - [ -0.0073247500000000, -0.0006950400000000, 0.0083347400000000 ] - [ -0.0074139800000000, 0.0000000000000000, 0.0061531100000000 ] - [ -0.0073247500000000, 0.0006950400000000, 0.0083347400000000 ] - [ -0.0069442700000000, -0.0000025600000000, 0.0069337500000000 ] - [ -0.0069139800000000, 0.0000000000000000, 0.0062407500000000 ] - [ -0.0069442700000000, 0.0000025600000000, 0.0069337500000000 ] - [ 0.0069164600000000, -0.0145500800000000, 0.0035364300000000 ] - [ -0.0070551200000000, 0.0000000000000000, 0.0012789900000000 ] - [ 0.0069164600000000, 0.0145500800000000, 0.0035364300000000 ] - [ -0.0223226100000000, 0.0150476600000000, 0.0025977600000000 ] - [ -0.0086722600000000, 0.0000000000000000, -0.0001556100000000 ] - [ -0.0223226100000000, -0.0150476600000000, 0.0025977600000000 ] - [ -0.0178622000000000, -0.0129293200000000, 0.0034775300000000 ] - [ -0.0071433700000000, 0.0000000000000000, 0.0022236300000000 ] - [ -0.0178622000000000, 0.0129293200000000, 0.0034775300000000 ]- atom: 115 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005319200000000, 0.0000000000000000, -0.0006771600000000 ] - [ -0.0005313500000000, -0.0000691100000000, -0.0005850500000000 ] - [ -0.0005313500000000, 0.0000691100000000, -0.0005850500000000 ] - [ -0.0000192700000000, 0.0000000000000000, -0.0047637600000000 ] - [ -0.0001291400000000, -0.0006901400000000, -0.0005057800000000 ] - [ -0.0001291400000000, 0.0006901400000000, -0.0005057800000000 ] - [ -0.0001640900000000, 0.0000000000000000, -0.0008707400000000 ] - [ -0.0001421900000000, -0.0003530100000000, -0.0000231200000000 ] - [ -0.0001421900000000, 0.0003530100000000, -0.0000231200000000 ] - [ 0.0045647400000000, 0.0000000000000000, -0.0028046700000000 ] - [ 0.0045599300000000, 0.0000049500000000, -0.0028927200000000 ] - [ 0.0045599300000000, -0.0000049500000000, -0.0028927200000000 ] - [ 0.0094892700000000, 0.0000000000000000, -0.0024753100000000 ] - [ 0.0095076000000000, 0.0007760800000000, -0.0027240400000000 ] - [ 0.0095076000000000, -0.0007760800000000, -0.0027240400000000 ] - [ 0.0015417600000000, 0.0000000000000000, -0.0062585200000000 ] - [ 0.0014889800000000, 0.0007502200000000, -0.0065125700000000 ] - [ 0.0014889800000000, -0.0007502200000000, -0.0065125700000000 ] - [ -0.0006334000000000, -0.0000977400000000, 0.0011912100000000 ] - [ -0.0006439300000000, 0.0000000000000000, 0.0005018900000000 ] - [ -0.0006334000000000, 0.0000977400000000, 0.0011912100000000 ] - [ 0.0020385100000000, -0.0000072100000000, 0.0010222200000000 ] - [ 0.0020260400000000, 0.0000000000000000, 0.0008625200000000 ] - [ 0.0020385100000000, 0.0000072100000000, 0.0010222200000000 ] - [ -0.0002355800000000, 0.0000832000000000, 0.0009590300000000 ] - [ -0.0002897300000000, 0.0000000000000000, 0.0001763700000000 ] - [ -0.0002355800000000, -0.0000832000000000, 0.0009590300000000 ] - [ 0.0019975400000000, -0.0000094400000000, 0.0009884400000000 ] - [ 0.0019874600000000, 0.0000000000000000, 0.0008061700000000 ] - [ 0.0019975400000000, 0.0000094400000000, 0.0009884400000000 ] - [ -0.0000500800000000, 0.0000858700000000, 0.0015336100000000 ] - [ 0.0000026600000000, 0.0000000000000000, 0.0007743900000000 ] - [ -0.0000500800000000, -0.0000858700000000, 0.0015336100000000 ] - [ 0.0023260300000000, -0.0003860900000000, 0.0010065500000000 ] - [ 0.0023396300000000, 0.0000000000000000, 0.0004235000000000 ] - [ 0.0023260300000000, 0.0003860900000000, 0.0010065500000000 ] - [ 0.0003517100000000, -0.0000965800000000, 0.0012918600000000 ] - [ 0.0003351800000000, 0.0000000000000000, 0.0006154600000000 ] - [ 0.0003517100000000, 0.0000965800000000, 0.0012918600000000 ] - [ -0.0009178300000000, 0.0003946400000000, -0.0151843600000000 ] - [ -0.0005302800000000, 0.0000000000000000, -0.0062740700000000 ] - [ -0.0009178300000000, -0.0003946400000000, -0.0151843600000000 ] - [ 0.0040645700000000, -0.0023072100000000, -0.0027986100000000 ] - [ 0.0023270100000000, 0.0000000000000000, -0.0006700300000000 ] - [ 0.0040645700000000, 0.0023072100000000, -0.0027986100000000 ] - [ -0.0013102500000000, -0.0011705400000000, 0.0009765100000000 ] - [ -0.0005939300000000, 0.0000000000000000, -0.0012678800000000 ] - [ -0.0013102500000000, 0.0011705400000000, 0.0009765100000000 ] - [ 0.0026888500000000, -0.0002474200000000, 0.0013853400000000 ] - [ 0.0026304000000000, 0.0000000000000000, 0.0008590500000000 ] - [ 0.0026888500000000, 0.0002474200000000, 0.0013853400000000 ] - [ 0.0008959300000000, -0.0011574500000000, 0.0009932600000000 ] - [ 0.0001281400000000, 0.0000000000000000, -0.0016947600000000 ] - [ 0.0008959300000000, 0.0011574500000000, 0.0009932600000000 ] - [ 0.0018472400000000, 0.0017053600000000, -0.0038118500000000 ] - [ 0.0031404600000000, 0.0000000000000000, -0.0014039500000000 ] - [ 0.0018472400000000, -0.0017053600000000, -0.0038118500000000 ] - [ 0.0002669400000000, 0.0005349100000000, -0.0133388800000000 ] - [ -0.0002690800000000, 0.0000000000000000, -0.0054753500000000 ] - [ 0.0002669400000000, -0.0005349100000000, -0.0133388800000000 ] - [ 0.0015885700000000, 0.0001227600000000, 0.0007263000000000 ] - [ 0.0014856300000000, 0.0000000000000000, 0.0002376600000000 ] - [ 0.0015885700000000, -0.0001227600000000, 0.0007263000000000 ] - [ 0.0012863500000000, 0.0009310200000000, 0.0026580700000000 ] - [ 0.0005782500000000, 0.0000000000000000, -0.0000642000000000 ] - [ 0.0012863500000000, -0.0009310200000000, 0.0026580700000000 ] - [ 0.0029372600000000, 0.0020629000000000, -0.0013306900000000 ] - [ 0.0022877300000000, 0.0000000000000000, -0.0007445400000000 ] - [ 0.0029372600000000, -0.0020629000000000, -0.0013306900000000 ] - [ -0.0007810100000000, 0.0008908000000000, 0.0014829400000000 ] - [ -0.0001699000000000, 0.0000000000000000, -0.0014674800000000 ] - [ -0.0007810100000000, -0.0008908000000000, 0.0014829400000000 ] - [ 0.0022350100000000, -0.0020673000000000, -0.0016871900000000 ] - [ 0.0023765000000000, 0.0000000000000000, -0.0007458000000000 ] - [ 0.0022350100000000, 0.0020673000000000, -0.0016871900000000 ] - [ 0.0023054000000000, 0.0001577700000000, 0.0012054100000000 ] - [ 0.0023634500000000, 0.0000000000000000, 0.0007044200000000 ] - [ 0.0023054000000000, -0.0001577700000000, 0.0012054100000000 ] - [ 0.0056298000000000, 0.0000000000000000, -0.0022613900000000 ] - [ 0.0055868600000000, -0.0006809800000000, -0.0027815800000000 ] - [ 0.0055868600000000, 0.0006809800000000, -0.0027815800000000 ] - [ 0.0086117000000000, 0.0000000000000000, -0.0054066700000000 ] - [ 0.0055821500000000, -0.0033068100000000, -0.0050046800000000 ] - [ 0.0055821500000000, 0.0033068100000000, -0.0050046800000000 ] - [ 0.0048584000000000, 0.0000000000000000, -0.0016906600000000 ] - [ 0.0048675400000000, 0.0000021700000000, -0.0017759400000000 ] - [ 0.0048675400000000, -0.0000021700000000, -0.0017759400000000 ] - [ 0.0015942800000000, 0.0000000000000000, -0.0007456400000000 ] - [ 0.0060982200000000, 0.0037176600000000, -0.0019073300000000 ] - [ 0.0060982200000000, -0.0037176600000000, -0.0019073300000000 ] - [ 0.0045355800000000, 0.0000000000000000, -0.0031218200000000 ] - [ 0.0046786300000000, -0.0006529000000000, -0.0036492800000000 ] - [ 0.0046786300000000, 0.0006529000000000, -0.0036492800000000 ] - [ 0.0017880700000000, 0.0000000000000000, -0.0064172800000000 ] - [ 0.0044969200000000, -0.0028375700000000, -0.0054931400000000 ] - [ 0.0044969200000000, 0.0028375700000000, -0.0054931400000000 ] - [ 0.0118136700000000, 0.0000000000000000, 0.0040880700000000 ] - [ 0.0076346900000000, 0.0035139100000000, 0.0031612100000000 ] - [ 0.0076346900000000, -0.0035139100000000, 0.0031612100000000 ] - [ 0.0004246900000000, 0.0000000000000000, -0.0010897500000000 ] - [ 0.0004241300000000, -0.0001334900000000, -0.0009090600000000 ] - [ 0.0004241300000000, 0.0001334900000000, -0.0009090600000000 ] - [ -0.0002916700000000, 0.0000000000000000, -0.0011000400000000 ] - [ -0.0002911600000000, 0.0001451300000000, -0.0008793200000000 ] - [ -0.0002911600000000, -0.0001451300000000, -0.0008793200000000 ] - [ -0.0000935000000000, 0.0000000000000000, -0.0101072200000000 ] - [ -0.0003195100000000, 0.0014539900000000, -0.0012119200000000 ] - [ -0.0003195100000000, -0.0014539900000000, -0.0012119200000000 ] - [ -0.0000571600000000, 0.0000000000000000, -0.0011770700000000 ] - [ -0.0000553400000000, 0.0001317000000000, -0.0009487300000000 ] - [ -0.0000553400000000, -0.0001317000000000, -0.0009487300000000 ] - [ -0.0007559300000000, 0.0000000000000000, -0.0021650200000000 ] - [ -0.0006237500000000, 0.0007747700000000, -0.0003481000000000 ] - [ -0.0006237500000000, -0.0007747700000000, -0.0003481000000000 ] - [ 0.0034294200000000, 0.0000000000000000, 0.0673309400000000 ] - [ 0.0000482700000000, -0.0001774100000000, 0.0053107300000000 ] - [ 0.0000482700000000, 0.0001774100000000, 0.0053107300000000 ] - [ -0.0005245200000000, 0.0000000000000000, 0.0075020000000000 ] - [ -0.0005779200000000, -0.0001968200000000, 0.0028817800000000 ] - [ -0.0005779200000000, 0.0001968200000000, 0.0028817800000000 ] - [ -0.0229864200000000, -0.0158447400000000, -0.0034695700000000 ] - [ -0.0095740000000000, 0.0000000000000000, -0.0004419300000000 ] - [ -0.0229864200000000, 0.0158447400000000, -0.0034695700000000 ] - [ -0.0106481200000000, -0.0007238300000000, 0.0002487700000000 ] - [ -0.0110063600000000, 0.0000000000000000, 0.0030466600000000 ] - [ -0.0106481200000000, 0.0007238300000000, 0.0002487700000000 ] - [ -0.0041439000000000, -0.0007263400000000, 0.0037422600000000 ] - [ -0.0037203600000000, 0.0000000000000000, 0.0064077900000000 ] - [ -0.0041439000000000, 0.0007263400000000, 0.0037422600000000 ] - [ -0.0063023300000000, 0.0000013800000000, 0.0017821300000000 ] - [ -0.0062415000000000, 0.0000000000000000, 0.0024444600000000 ] - [ -0.0063023300000000, -0.0000013800000000, 0.0017821300000000 ] - [ -0.0063606500000000, 0.0007048300000000, 0.0024097800000000 ] - [ -0.0063885800000000, 0.0000000000000000, 0.0043465100000000 ] - [ -0.0063606500000000, -0.0007048300000000, 0.0024097800000000 ] - [ -0.0077221400000000, 0.0007002000000000, 0.0012136700000000 ] - [ -0.0076306700000000, 0.0000000000000000, 0.0034001500000000 ] - [ -0.0077221400000000, -0.0007002000000000, 0.0012136700000000 ] - [ -0.0065680400000000, 0.0000055600000000, 0.0003438200000000 ] - [ -0.0066001700000000, 0.0000000000000000, 0.0010352800000000 ] - [ -0.0065680400000000, -0.0000055600000000, 0.0003438200000000 ] - [ -0.0209185500000000, 0.0146381200000000, 0.0054514100000000 ] - [ -0.0068579300000000, 0.0000000000000000, 0.0076848800000000 ] - [ -0.0209185500000000, -0.0146381200000000, 0.0054514100000000 ] - [ 0.0047039700000000, -0.0149429400000000, 0.0023897300000000 ] - [ -0.0088525100000000, 0.0000000000000000, 0.0051604100000000 ] - [ 0.0047039700000000, 0.0149429400000000, 0.0023897300000000 ] - [ 0.0039267300000000, 0.0129941500000000, 0.0068608900000000 ] - [ -0.0068546200000000, 0.0000000000000000, 0.0080873100000000 ] - [ 0.0039267300000000, -0.0129941500000000, 0.0068608900000000 ]- atom: 118 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0004520000000000, 0.0000000000000000, -0.0000691300000000 ] - [ -0.0004663100000000, -0.0000019500000000, -0.0000658600000000 ] - [ -0.0004663100000000, 0.0000019500000000, -0.0000658600000000 ] - [ 0.0012390400000000, 0.0000000000000000, 0.0001391600000000 ] - [ 0.0003021300000000, 0.0000040300000000, 0.0001152800000000 ] - [ 0.0003021300000000, -0.0000040300000000, 0.0001152800000000 ] - [ -0.0015020400000000, 0.0000000000000000, 0.0004257600000000 ] - [ -0.0005332300000000, -0.0000900500000000, 0.0002695300000000 ] - [ -0.0005332300000000, 0.0000900500000000, 0.0002695300000000 ] - [ 0.0045032200000000, 0.0000000000000000, -0.0037091800000000 ] - [ 0.0045014800000000, -0.0000107100000000, -0.0037069400000000 ] - [ 0.0045014800000000, 0.0000107100000000, -0.0037069400000000 ] - [ 0.0097502300000000, 0.0000000000000000, -0.0037709200000000 ] - [ 0.0097352100000000, -0.0002332200000000, -0.0036989200000000 ] - [ 0.0097352100000000, 0.0002332200000000, -0.0036989200000000 ] - [ 0.0014359200000000, 0.0000000000000000, -0.0068442500000000 ] - [ 0.0014195000000000, 0.0002755900000000, -0.0069476900000000 ] - [ 0.0014195000000000, -0.0002755900000000, -0.0069476900000000 ] - [ -0.0006089200000000, -0.0000279200000000, -0.0010058500000000 ] - [ -0.0006351700000000, 0.0000000000000000, -0.0011403100000000 ] - [ -0.0006089200000000, 0.0000279200000000, -0.0010058500000000 ] - [ 0.0018112400000000, 0.0000000900000000, 0.0002474700000000 ] - [ 0.0018422800000000, 0.0000000000000000, 0.0002495400000000 ] - [ 0.0018112400000000, -0.0000000900000000, 0.0002474700000000 ] - [ -0.0003073000000000, 0.0000421600000000, -0.0015823700000000 ] - [ -0.0002957300000000, 0.0000000000000000, -0.0017774600000000 ] - [ -0.0003073000000000, -0.0000421600000000, -0.0015823700000000 ] - [ 0.0020902300000000, 0.0000016800000000, 0.0000544600000000 ] - [ 0.0020599500000000, 0.0000000000000000, 0.0000522900000000 ] - [ 0.0020902300000000, -0.0000016800000000, 0.0000544600000000 ] - [ 0.0000611100000000, -0.0000367000000000, -0.0017314000000000 ] - [ 0.0000080600000000, 0.0000000000000000, -0.0015701400000000 ] - [ 0.0000611100000000, 0.0000367000000000, -0.0017314000000000 ] - [ 0.0017245200000000, 0.0000056900000000, -0.0001075500000000 ] - [ 0.0019843000000000, 0.0000000000000000, -0.0000837300000000 ] - [ 0.0017245200000000, -0.0000056900000000, -0.0001075500000000 ] - [ 0.0002690000000000, 0.0000285900000000, -0.0015410200000000 ] - [ 0.0003074400000000, 0.0000000000000000, -0.0014125600000000 ] - [ 0.0002690000000000, -0.0000285900000000, -0.0015410200000000 ] - [ 0.0029209500000000, -0.0003842800000000, -0.0025447600000000 ] - [ -0.0003201500000000, 0.0000000000000000, -0.0016019100000000 ] - [ 0.0029209500000000, 0.0003842800000000, -0.0025447600000000 ] - [ -0.0029159700000000, -0.0002022800000000, 0.0006794000000000 ] - [ 0.0015444100000000, 0.0000000000000000, 0.0005739400000000 ] - [ -0.0029159700000000, 0.0002022800000000, 0.0006794000000000 ] - [ -0.0007010800000000, 0.0009397600000000, -0.0039221800000000 ] - [ -0.0005378600000000, 0.0000000000000000, -0.0017449400000000 ] - [ -0.0007010800000000, -0.0009397600000000, -0.0039221800000000 ] - [ 0.0031187200000000, 0.0000013400000000, 0.0004237800000000 ] - [ 0.0028779100000000, 0.0000000000000000, 0.0004122700000000 ] - [ 0.0031187200000000, -0.0000013400000000, 0.0004237800000000 ] - [ 0.0005381000000000, -0.0010269000000000, 0.0013037300000000 ] - [ 0.0001851500000000, 0.0000000000000000, -0.0008352700000000 ] - [ 0.0005381000000000, 0.0010269000000000, 0.0013037300000000 ] - [ -0.0040041500000000, -0.0001396800000000, -0.0003396300000000 ] - [ 0.0016336100000000, 0.0000000000000000, -0.0003551600000000 ] - [ -0.0040041500000000, 0.0001396800000000, -0.0003396300000000 ] - [ -0.0011304700000000, 0.0037818500000000, -0.0000362200000000 ] - [ -0.0001903200000000, 0.0000000000000000, -0.0015727300000000 ] - [ -0.0011304700000000, -0.0037818500000000, -0.0000362200000000 ] - [ 0.0007008900000000, 0.0000056900000000, -0.0001768800000000 ] - [ 0.0010193200000000, 0.0000000000000000, -0.0002003100000000 ] - [ 0.0007008900000000, -0.0000056900000000, -0.0001768800000000 ] - [ -0.0002296700000000, 0.0008910000000000, 0.0026695800000000 ] - [ 0.0003020000000000, 0.0000000000000000, 0.0002546800000000 ] - [ -0.0002296700000000, -0.0008910000000000, 0.0026695800000000 ] - [ 0.0098008100000000, 0.0007366300000000, 0.0005067400000000 ] - [ 0.0034940100000000, 0.0000000000000000, -0.0001885800000000 ] - [ 0.0098008100000000, -0.0007366300000000, 0.0005067400000000 ] - [ -0.0000978300000000, -0.0008493400000000, -0.0049213800000000 ] - [ -0.0001489000000000, 0.0000000000000000, -0.0028980900000000 ] - [ -0.0000978300000000, 0.0008493400000000, -0.0049213800000000 ] - [ 0.0105522300000000, 0.0007164000000000, -0.0005236900000000 ] - [ 0.0034047700000000, 0.0000000000000000, 0.0002266600000000 ] - [ 0.0105522300000000, -0.0007164000000000, -0.0005236900000000 ] - [ 0.0031320800000000, 0.0000037700000000, 0.0002970200000000 ] - [ 0.0027968800000000, 0.0000000000000000, 0.0002568600000000 ] - [ 0.0031320800000000, -0.0000037700000000, 0.0002970200000000 ] - [ 0.0055549700000000, 0.0000000000000000, -0.0032041300000000 ] - [ 0.0055677700000000, -0.0002257100000000, -0.0031938400000000 ] - [ 0.0055677700000000, 0.0002257100000000, -0.0031938400000000 ] - [ 0.0068276400000000, 0.0000000000000000, -0.0011907100000000 ] - [ 0.0049726700000000, -0.0021159500000000, -0.0024457800000000 ] - [ 0.0049726700000000, 0.0021159500000000, -0.0024457800000000 ] - [ 0.0049438000000000, 0.0000000000000000, -0.0025734600000000 ] - [ 0.0049428600000000, 0.0000165000000000, -0.0025767400000000 ] - [ 0.0049428600000000, -0.0000165000000000, -0.0025767400000000 ] - [ 0.0071035300000000, 0.0000000000000000, -0.0043399600000000 ] - [ 0.0071834700000000, -0.0027623300000000, -0.0016365300000000 ] - [ 0.0071834700000000, 0.0027623300000000, -0.0016365300000000 ] - [ 0.0047004400000000, 0.0000000000000000, -0.0046052900000000 ] - [ 0.0046890700000000, 0.0002339400000000, -0.0046089300000000 ] - [ 0.0046890700000000, -0.0002339400000000, -0.0046089300000000 ] - [ 0.0028446100000000, 0.0000000000000000, -0.0092544700000000 ] - [ 0.0048994900000000, 0.0021386200000000, -0.0048175500000000 ] - [ 0.0048994900000000, -0.0021386200000000, -0.0048175500000000 ] - [ 0.0037815400000000, 0.0000000000000000, 0.0098531100000000 ] - [ 0.0064186700000000, 0.0029281400000000, 0.0053125100000000 ] - [ 0.0064186700000000, -0.0029281400000000, 0.0053125100000000 ] - [ 0.0002079400000000, 0.0000000000000000, 0.0001017300000000 ] - [ 0.0002459300000000, -0.0000075400000000, 0.0001092400000000 ] - [ 0.0002459300000000, 0.0000075400000000, 0.0001092400000000 ] - [ -0.0001314700000000, 0.0000000000000000, 0.0000953700000000 ] - [ -0.0001494600000000, 0.0000003600000000, 0.0000919300000000 ] - [ -0.0001494600000000, -0.0000003600000000, 0.0000919300000000 ] - [ 0.0022323100000000, 0.0000000000000000, -0.0002213100000000 ] - [ 0.0003633800000000, 0.0000376400000000, -0.0002379700000000 ] - [ 0.0003633800000000, -0.0000376400000000, -0.0002379700000000 ] - [ -0.0001996000000000, 0.0000000000000000, 0.0000604300000000 ] - [ -0.0001816900000000, -0.0000043700000000, 0.0000617100000000 ] - [ -0.0001816900000000, 0.0000043700000000, 0.0000617100000000 ] - [ -0.0034916700000000, 0.0000000000000000, 0.0003198200000000 ] - [ -0.0013551800000000, -0.0001406300000000, 0.0001774100000000 ] - [ -0.0013551800000000, 0.0001406300000000, 0.0001774100000000 ] - [ 0.0189906700000000, 0.0000000000000000, -0.0000342700000000 ] - [ 0.0026803600000000, 0.0001041700000000, 0.0000005200000000 ] - [ 0.0026803600000000, -0.0001041700000000, 0.0000005200000000 ] - [ -0.0645859700000000, 0.0000000000000000, 0.0041315600000000 ] - [ -0.0038554100000000, -0.0002005900000000, -0.0002473400000000 ] - [ -0.0038554100000000, 0.0002005900000000, -0.0002473400000000 ] - [ -0.0027578000000000, -0.0145364900000000, -0.0186770600000000 ] - [ -0.0092446600000000, 0.0000000000000000, -0.0034760200000000 ] - [ -0.0027578000000000, 0.0145364900000000, -0.0186770600000000 ] - [ -0.0114145900000000, 0.0001690000000000, 0.0069857000000000 ] - [ -0.0112506800000000, 0.0000000000000000, 0.0058838300000000 ] - [ -0.0114145900000000, -0.0001690000000000, 0.0069857000000000 ] - [ -0.0036571500000000, -0.0002275400000000, 0.0065427600000000 ] - [ -0.0035218000000000, 0.0000000000000000, 0.0078975700000000 ] - [ -0.0036571500000000, 0.0002275400000000, 0.0065427600000000 ] - [ -0.0059446000000000, 0.0000070000000000, 0.0049706800000000 ] - [ -0.0059389000000000, 0.0000000000000000, 0.0049577600000000 ] - [ -0.0059446000000000, -0.0000070000000000, 0.0049706800000000 ] - [ -0.0063825100000000, -0.0000835000000000, 0.0071829200000000 ] - [ -0.0063715700000000, 0.0000000000000000, 0.0062000800000000 ] - [ -0.0063825100000000, 0.0000835000000000, 0.0071829200000000 ] - [ -0.0074736200000000, 0.0000731100000000, 0.0033828600000000 ] - [ -0.0075089400000000, 0.0000000000000000, 0.0043259500000000 ] - [ -0.0074736200000000, -0.0000731100000000, 0.0033828600000000 ] - [ -0.0067475700000000, -0.0000103000000000, 0.0036111200000000 ] - [ -0.0067519200000000, 0.0000000000000000, 0.0036323300000000 ] - [ -0.0067475700000000, 0.0000103000000000, 0.0036111200000000 ] - [ -0.0031576700000000, 0.0137084000000000, -0.0087713200000000 ] - [ -0.0069583700000000, 0.0000000000000000, 0.0040129700000000 ] - [ -0.0031576700000000, -0.0137084000000000, -0.0087713200000000 ] - [ -0.0038954000000000, 0.0130249900000000, 0.0156100500000000 ] - [ -0.0086443000000000, 0.0000000000000000, 0.0026555500000000 ] - [ -0.0038954000000000, -0.0130249900000000, 0.0156100500000000 ] - [ -0.0025980300000000, -0.0131775700000000, 0.0177291600000000 ] - [ -0.0070464300000000, 0.0000000000000000, 0.0054147400000000 ] - [ -0.0025980300000000, 0.0131775700000000, 0.0177291600000000 ]- atom: 118 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0006188400000000, 0.0000000000000000, -0.0000611600000000 ] - [ -0.0006044000000000, 0.0000019400000000, -0.0000655100000000 ] - [ -0.0006044000000000, -0.0000019400000000, -0.0000655100000000 ] - [ -0.0015057700000000, 0.0000000000000000, -0.0000200900000000 ] - [ -0.0005682000000000, -0.0000034500000000, 0.0000010500000000 ] - [ -0.0005682000000000, 0.0000034500000000, 0.0000010500000000 ] - [ 0.0011892900000000, 0.0000000000000000, 0.0001809200000000 ] - [ 0.0002221600000000, 0.0000882800000000, 0.0003480300000000 ] - [ 0.0002221600000000, -0.0000882800000000, 0.0003480300000000 ] - [ 0.0044710400000000, 0.0000000000000000, -0.0036903600000000 ] - [ 0.0044735700000000, 0.0000124300000000, -0.0036925900000000 ] - [ 0.0044735700000000, -0.0000124300000000, -0.0036925900000000 ] - [ 0.0095227500000000, 0.0000000000000000, -0.0031180100000000 ] - [ 0.0095374900000000, 0.0002334800000000, -0.0031900800000000 ] - [ 0.0095374900000000, -0.0002334800000000, -0.0031900800000000 ] - [ 0.0013222800000000, 0.0000000000000000, -0.0075864500000000 ] - [ 0.0013389500000000, -0.0002763000000000, -0.0074831500000000 ] - [ 0.0013389500000000, 0.0002763000000000, -0.0074831500000000 ] - [ -0.0006844900000000, 0.0000278500000000, -0.0015971000000000 ] - [ -0.0006582000000000, 0.0000000000000000, -0.0014629700000000 ] - [ -0.0006844900000000, -0.0000278500000000, -0.0015971000000000 ] - [ 0.0021302100000000, -0.0000000500000000, 0.0002653300000000 ] - [ 0.0020947700000000, 0.0000000000000000, 0.0002634200000000 ] - [ 0.0021302100000000, 0.0000000500000000, 0.0002653300000000 ] - [ -0.0003307900000000, -0.0000421400000000, -0.0023745200000000 ] - [ -0.0003422500000000, 0.0000000000000000, -0.0021794300000000 ] - [ -0.0003307900000000, 0.0000421400000000, -0.0023745200000000 ] - [ 0.0018030100000000, -0.0000017800000000, 0.0000558400000000 ] - [ 0.0018353500000000, 0.0000000000000000, 0.0000578500000000 ] - [ 0.0018030100000000, 0.0000017800000000, 0.0000558400000000 ] - [ -0.0001605100000000, 0.0000364000000000, -0.0009253100000000 ] - [ -0.0001070800000000, 0.0000000000000000, -0.0010836700000000 ] - [ -0.0001605100000000, -0.0000364000000000, -0.0009253100000000 ] - [ 0.0028330600000000, -0.0000056100000000, -0.0000775200000000 ] - [ 0.0025747400000000, 0.0000000000000000, -0.0001003300000000 ] - [ 0.0028330600000000, 0.0000056100000000, -0.0000775200000000 ] - [ 0.0004181200000000, -0.0000286600000000, -0.0009251000000000 ] - [ 0.0003796600000000, 0.0000000000000000, -0.0010548200000000 ] - [ 0.0004181200000000, 0.0000286600000000, -0.0009251000000000 ] - [ -0.0036700800000000, 0.0006240300000000, -0.0013391600000000 ] - [ -0.0006911200000000, 0.0000000000000000, -0.0022885700000000 ] - [ -0.0036700800000000, -0.0006240300000000, -0.0013391600000000 ] - [ 0.0078878000000000, 0.0001888100000000, 0.0004124000000000 ] - [ 0.0034196800000000, 0.0000000000000000, 0.0005046100000000 ] - [ 0.0078878000000000, -0.0001888100000000, 0.0004124000000000 ] - [ -0.0002601400000000, -0.0009458100000000, 0.0016103800000000 ] - [ -0.0004180600000000, 0.0000000000000000, -0.0005693800000000 ] - [ -0.0002601400000000, 0.0009458100000000, 0.0016103800000000 ] - [ 0.0020932100000000, -0.0000012300000000, 0.0004591600000000 ] - [ 0.0023313500000000, 0.0000000000000000, 0.0004702500000000 ] - [ 0.0020932100000000, 0.0000012300000000, 0.0004591600000000 ] - [ -0.0002694000000000, 0.0010240300000000, -0.0043222000000000 ] - [ 0.0000794300000000, 0.0000000000000000, -0.0021835600000000 ] - [ -0.0002694000000000, -0.0010240300000000, -0.0043222000000000 ] - [ 0.0098819700000000, 0.0001248000000000, -0.0003721900000000 ] - [ 0.0042380400000000, 0.0000000000000000, -0.0003445000000000 ] - [ 0.0098819700000000, -0.0001248000000000, -0.0003721900000000 ] - [ 0.0003965600000000, -0.0036661900000000, -0.0027927200000000 ] - [ -0.0003720600000000, 0.0000000000000000, -0.0012549400000000 ] - [ 0.0003965600000000, 0.0036661900000000, -0.0027927200000000 ] - [ 0.0021306300000000, -0.0000055100000000, -0.0001880700000000 ] - [ 0.0018120600000000, 0.0000000000000000, -0.0001646000000000 ] - [ 0.0021306300000000, 0.0000055100000000, -0.0001880700000000 ] - [ 0.0010656100000000, -0.0008958500000000, -0.0035851600000000 ] - [ 0.0005355300000000, 0.0000000000000000, -0.0011648200000000 ] - [ 0.0010656100000000, 0.0008958500000000, -0.0035851600000000 ] - [ -0.0051310400000000, -0.0007131900000000, -0.0008200400000000 ] - [ 0.0012030100000000, 0.0000000000000000, -0.0001427200000000 ] - [ -0.0051310400000000, 0.0007131900000000, -0.0008200400000000 ] - [ -0.0001508900000000, 0.0008473300000000, 0.0007947700000000 ] - [ -0.0001015800000000, 0.0000000000000000, -0.0012254500000000 ] - [ -0.0001508900000000, -0.0008473300000000, 0.0007947700000000 ] - [ -0.0057173900000000, -0.0006901300000000, 0.0008701600000000 ] - [ 0.0014561500000000, 0.0000000000000000, 0.0001458100000000 ] - [ -0.0057173900000000, 0.0006901300000000, 0.0008701600000000 ] - [ 0.0016940000000000, -0.0000037200000000, 0.0002266800000000 ] - [ 0.0020294100000000, 0.0000000000000000, 0.0002665300000000 ] - [ 0.0016940000000000, 0.0000037200000000, 0.0002266800000000 ] - [ 0.0054994000000000, 0.0000000000000000, -0.0037310300000000 ] - [ 0.0054870000000000, 0.0002252900000000, -0.0037411700000000 ] - [ 0.0054870000000000, -0.0002252900000000, -0.0037411700000000 ] - [ 0.0027463000000000, 0.0000000000000000, -0.0058358600000000 ] - [ 0.0043313700000000, 0.0021140600000000, -0.0043660700000000 ] - [ 0.0043313700000000, -0.0021140600000000, -0.0043660700000000 ] - [ 0.0049499600000000, 0.0000000000000000, -0.0025863700000000 ] - [ 0.0049508900000000, -0.0000159600000000, -0.0025831900000000 ] - [ 0.0049508900000000, 0.0000159600000000, -0.0025831900000000 ] - [ 0.0069438900000000, 0.0000000000000000, 0.0031300800000000 ] - [ 0.0066649400000000, 0.0027599200000000, 0.0002911700000000 ] - [ 0.0066649400000000, -0.0027599200000000, 0.0002911700000000 ] - [ 0.0047390000000000, 0.0000000000000000, -0.0040620700000000 ] - [ 0.0047496400000000, -0.0002342300000000, -0.0040589700000000 ] - [ 0.0047496400000000, 0.0002342300000000, -0.0040589700000000 ] - [ 0.0073994400000000, 0.0000000000000000, 0.0011818200000000 ] - [ 0.0055006800000000, -0.0021386600000000, -0.0031774400000000 ] - [ 0.0055006800000000, 0.0021386600000000, -0.0031774400000000 ] - [ 0.0098775800000000, 0.0000000000000000, -0.0011006500000000 ] - [ 0.0073331900000000, -0.0029332200000000, 0.0034167400000000 ] - [ 0.0073331900000000, 0.0029332200000000, 0.0034167400000000 ] - [ 0.0006537400000000, 0.0000000000000000, 0.0001133300000000 ] - [ 0.0006168100000000, 0.0000077400000000, 0.0001072100000000 ] - [ 0.0006168100000000, -0.0000077400000000, 0.0001072100000000 ] - [ -0.0004749700000000, 0.0000000000000000, 0.0000837200000000 ] - [ -0.0004552800000000, 0.0000004900000000, 0.0000864100000000 ] - [ -0.0004552800000000, -0.0000004900000000, 0.0000864100000000 ] - [ -0.0030260900000000, 0.0000000000000000, -0.0001205800000000 ] - [ -0.0011551300000000, -0.0000376200000000, -0.0001005700000000 ] - [ -0.0011551300000000, 0.0000376200000000, -0.0001005700000000 ] - [ 0.0001291700000000, 0.0000000000000000, 0.0000366400000000 ] - [ 0.0001089000000000, 0.0000037600000000, 0.0000368900000000 ] - [ 0.0001089000000000, -0.0000037600000000, 0.0000368900000000 ] - [ 0.0023287200000000, 0.0000000000000000, -0.0002109300000000 ] - [ 0.0001920400000000, 0.0001365400000000, -0.0000936100000000 ] - [ 0.0001920400000000, -0.0001365400000000, -0.0000936100000000 ] - [ -0.0187687600000000, 0.0000000000000000, 0.0000897500000000 ] - [ -0.0025019400000000, -0.0001008000000000, 0.0000564400000000 ] - [ -0.0025019400000000, 0.0001008000000000, 0.0000564400000000 ] - [ 0.0629773400000000, 0.0000000000000000, -0.0043514200000000 ] - [ 0.0026408000000000, 0.0001737300000000, -0.0000785500000000 ] - [ 0.0026408000000000, -0.0001737300000000, -0.0000785500000000 ] - [ -0.0160834700000000, 0.0146410500000000, 0.0121665900000000 ] - [ -0.0096290800000000, 0.0000000000000000, -0.0031418000000000 ] - [ -0.0160834700000000, -0.0146410500000000, 0.0121665900000000 ] - [ -0.0109489700000000, -0.0001689100000000, 0.0033865900000000 ] - [ -0.0111117600000000, 0.0000000000000000, 0.0044869700000000 ] - [ -0.0109489700000000, 0.0001689100000000, 0.0033865900000000 ] - [ -0.0032669900000000, 0.0002285100000000, 0.0104448400000000 ] - [ -0.0034031500000000, 0.0000000000000000, 0.0090890900000000 ] - [ -0.0032669900000000, -0.0002285100000000, 0.0104448400000000 ] - [ -0.0059945300000000, -0.0000085900000000, 0.0048610500000000 ] - [ -0.0059955200000000, 0.0000000000000000, 0.0048751700000000 ] - [ -0.0059945300000000, 0.0000085900000000, 0.0048610500000000 ] - [ -0.0064085400000000, 0.0000817900000000, 0.0043494400000000 ] - [ -0.0064157600000000, 0.0000000000000000, 0.0053266000000000 ] - [ -0.0064085400000000, -0.0000817900000000, 0.0043494400000000 ] - [ -0.0075703500000000, -0.0000710300000000, 0.0061645800000000 ] - [ -0.0075370200000000, 0.0000000000000000, 0.0052246700000000 ] - [ -0.0075703500000000, 0.0000710300000000, 0.0061645800000000 ] - [ -0.0067645200000000, 0.0000130800000000, 0.0036676900000000 ] - [ -0.0067621800000000, 0.0000000000000000, 0.0036450900000000 ] - [ -0.0067645200000000, -0.0000130800000000, 0.0036676900000000 ] - [ -0.0107834100000000, -0.0136263800000000, 0.0176578300000000 ] - [ -0.0069524000000000, 0.0000000000000000, 0.0049457100000000 ] - [ -0.0107834100000000, 0.0136263800000000, 0.0176578300000000 ] - [ -0.0136489500000000, -0.0129520500000000, -0.0105352600000000 ] - [ -0.0088789100000000, 0.0000000000000000, 0.0023521200000000 ] - [ -0.0136489500000000, 0.0129520500000000, -0.0105352600000000 ] - [ -0.0113610600000000, 0.0132778900000000, -0.0075141600000000 ] - [ -0.0069528400000000, 0.0000000000000000, 0.0048906100000000 ] - [ -0.0113610600000000, -0.0132778900000000, -0.0075141600000000 ]- atom: 118 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005351700000000, -0.0002140100000000, -0.0000660700000000 ] - [ -0.0005370100000000, 0.0001068000000000, -0.0000052400000000 ] - [ -0.0005332800000000, 0.0001068400000000, -0.0001259800000000 ] - [ -0.0001328800000000, -0.0009229200000000, 0.0000566000000000 ] - [ -0.0001788900000000, 0.0004668800000000, 0.0003826800000000 ] - [ -0.0000865800000000, 0.0004673100000000, -0.0002650900000000 ] - [ -0.0001559500000000, -0.0017080600000000, 0.0003031700000000 ] - [ -0.0000269300000000, 0.0008022000000000, 0.0009310600000000 ] - [ -0.0002841000000000, 0.0008015100000000, -0.0003092400000000 ] - [ 0.0044871500000000, 0.0004808300000000, -0.0036996700000000 ] - [ 0.0044750700000000, -0.0002411200000000, -0.0036946700000000 ] - [ 0.0045000700000000, -0.0002425000000000, -0.0037046900000000 ] - [ 0.0096361200000000, 0.0015029300000000, -0.0034439000000000 ] - [ 0.0096061400000000, -0.0007434200000000, -0.0036014200000000 ] - [ 0.0096661200000000, -0.0007447800000000, -0.0032870500000000 ] - [ 0.0013794900000000, 0.0016597300000000, -0.0072145400000000 ] - [ 0.0013722900000000, -0.0008237600000000, -0.0074089800000000 ] - [ 0.0013869200000000, -0.0008245700000000, -0.0070207800000000 ] - [ -0.0006224200000000, 0.0001094700000000, -0.0007421000000000 ] - [ -0.0006467800000000, -0.0002221200000000, -0.0013020000000000 ] - [ -0.0006712100000000, 0.0001092900000000, -0.0018614800000000 ] - [ 0.0019690600000000, 0.0000534800000000, 0.0002486700000000 ] - [ 0.0019693400000000, -0.0001071100000000, 0.0002565700000000 ] - [ 0.0019734300000000, 0.0000533600000000, 0.0002643900000000 ] - [ -0.0003637600000000, 0.0001117700000000, -0.0027240800000000 ] - [ -0.0003186900000000, -0.0002273800000000, -0.0019780600000000 ] - [ -0.0002737100000000, 0.0001113600000000, -0.0012320100000000 ] - [ 0.0019274300000000, 0.0000675800000000, 0.0000372600000000 ] - [ 0.0019475200000000, -0.0001342000000000, 0.0000550100000000 ] - [ 0.0019659500000000, 0.0000675300000000, 0.0000731500000000 ] - [ 0.0000205100000000, 0.0001063600000000, -0.0019959100000000 ] - [ -0.0000497900000000, -0.0002124000000000, -0.0013273500000000 ] - [ -0.0001207400000000, 0.0001063200000000, -0.0006607700000000 ] - [ 0.0023520300000000, 0.0001837700000000, 0.0005385800000000 ] - [ 0.0022800900000000, -0.0003781100000000, -0.0000917800000000 ] - [ 0.0022066100000000, 0.0001828600000000, -0.0007222100000000 ] - [ 0.0003960200000000, 0.0001122900000000, -0.0006540100000000 ] - [ 0.0003435800000000, -0.0002278900000000, -0.0012339500000000 ] - [ 0.0002912400000000, 0.0001119300000000, -0.0018126400000000 ] - [ -0.0009610700000000, 0.0051248900000000, -0.0029938000000000 ] - [ -0.0005101900000000, -0.0022553400000000, -0.0019462600000000 ] - [ 0.0002547200000000, 0.0047590100000000, -0.0008969600000000 ] - [ 0.0022954500000000, 0.0010118200000000, 0.0022641000000000 ] - [ 0.0024820600000000, -0.0016669800000000, 0.0005394800000000 ] - [ 0.0026714000000000, 0.0010023100000000, -0.0011801100000000 ] - [ 0.0005398200000000, 0.0006078700000000, 0.0027906000000000 ] - [ -0.0004775000000000, -0.0010246700000000, -0.0011560300000000 ] - [ -0.0014904100000000, 0.0006028400000000, -0.0051014600000000 ] - [ 0.0025598100000000, 0.0002477700000000, 0.0009750100000000 ] - [ 0.0026049400000000, -0.0005108000000000, 0.0004419400000000 ] - [ 0.0026528800000000, 0.0002471800000000, -0.0000907900000000 ] - [ -0.0005429300000000, 0.0006240100000000, 0.0018732400000000 ] - [ 0.0001319800000000, -0.0010406900000000, -0.0015079400000000 ] - [ 0.0008035900000000, 0.0006171700000000, -0.0048939300000000 ] - [ 0.0032635400000000, 0.0009649400000000, -0.0021348000000000 ] - [ 0.0029361700000000, -0.0016812700000000, -0.0003504700000000 ] - [ 0.0026112200000000, 0.0009573800000000, 0.0014275800000000 ] - [ 0.0031832700000000, 0.0009524100000000, -0.0026936800000000 ] - [ -0.0002784600000000, -0.0020636000000000, -0.0014152900000000 ] - [ -0.0038887300000000, 0.0007543600000000, -0.0001353000000000 ] - [ 0.0014274400000000, 0.0001061400000000, -0.0006886100000000 ] - [ 0.0014156000000000, -0.0002240100000000, -0.0001822900000000 ] - [ 0.0014040800000000, 0.0001059700000000, 0.0003239600000000 ] - [ 0.0012680500000000, 0.0004889300000000, -0.0046067000000000 ] - [ 0.0004186800000000, -0.0008295300000000, -0.0004561100000000 ] - [ -0.0004270900000000, 0.0004850900000000, 0.0036942100000000 ] - [ 0.0044565900000000, -0.0018310500000000, -0.0060366600000000 ] - [ 0.0023493700000000, -0.0015924300000000, -0.0001672700000000 ] - [ 0.0002479500000000, -0.0018991600000000, 0.0057033500000000 ] - [ -0.0005924900000000, 0.0005097600000000, -0.0052883400000000 ] - [ -0.0001251600000000, -0.0008030800000000, -0.0020633000000000 ] - [ 0.0003395100000000, 0.0005045600000000, 0.0011628500000000 ] - [ 0.0047271500000000, -0.0005377200000000, 0.0052979600000000 ] - [ 0.0024314700000000, -0.0017903900000000, 0.0001889300000000 ] - [ 0.0001423800000000, -0.0006949000000000, -0.0050095100000000 ] - [ 0.0023871400000000, 0.0001566600000000, -0.0003571100000000 ] - [ 0.0024134600000000, -0.0003063800000000, 0.0002612100000000 ] - [ 0.0024396700000000, 0.0001562600000000, 0.0008792100000000 ] - [ 0.0055270900000000, 0.0012780200000000, -0.0034688000000000 ] - [ 0.0054632300000000, -0.0006349300000000, -0.0031761900000000 ] - [ 0.0055909200000000, -0.0006361600000000, -0.0037593700000000 ] - [ 0.0046550800000000, 0.0112049400000000, -0.0034123800000000 ] - [ 0.0038951500000000, -0.0037203700000000, -0.0022758700000000 ] - [ 0.0053968700000000, -0.0037268400000000, -0.0045306700000000 ] - [ 0.0049469500000000, 0.0004942200000000, -0.0025798000000000 ] - [ 0.0049436800000000, -0.0002478500000000, -0.0025780800000000 ] - [ 0.0049500700000000, -0.0002486000000000, -0.0025815000000000 ] - [ 0.0069337400000000, 0.0125234700000000, -0.0006672500000000 ] - [ 0.0062355600000000, -0.0044025200000000, -0.0017014600000000 ] - [ 0.0076029300000000, -0.0044102800000000, 0.0003508600000000 ] - [ 0.0047198000000000, 0.0013740800000000, -0.0043348200000000 ] - [ 0.0047337700000000, -0.0006857700000000, -0.0040268400000000 ] - [ 0.0047054900000000, -0.0006871800000000, -0.0046418300000000 ] - [ 0.0051973200000000, 0.0110669600000000, -0.0040120500000000 ] - [ 0.0059001200000000, -0.0041025500000000, -0.0030131200000000 ] - [ 0.0045103900000000, -0.0041100200000000, -0.0049805200000000 ] - [ 0.0068722000000000, 0.0118806800000000, 0.0043748700000000 ] - [ 0.0074926400000000, -0.0048562400000000, 0.0034292300000000 ] - [ 0.0062669200000000, -0.0048639300000000, 0.0053006400000000 ] - [ 0.0004307300000000, -0.0004721900000000, 0.0001078700000000 ] - [ 0.0004380800000000, 0.0002371600000000, 0.0002393800000000 ] - [ 0.0004242500000000, 0.0002371500000000, -0.0000218800000000 ] - [ -0.0003026100000000, -0.0004340200000000, 0.0000895400000000 ] - [ -0.0003040500000000, 0.0002186700000000, -0.0000342100000000 ] - [ -0.0003004200000000, 0.0002179400000000, 0.0002116500000000 ] - [ -0.0003963300000000, -0.0019102800000000, -0.0001641600000000 ] - [ -0.0004531400000000, 0.0009256800000000, -0.0008392000000000 ] - [ -0.0003389800000000, 0.0009277300000000, 0.0005009900000000 ] - [ -0.0000348900000000, -0.0004314100000000, 0.0000481000000000 ] - [ -0.0000366600000000, 0.0002159400000000, -0.0000834800000000 ] - [ -0.0000345400000000, 0.0002163600000000, 0.0001802200000000 ] - [ -0.0005802700000000, -0.0036286300000000, 0.0000555400000000 ] - [ -0.0004870400000000, 0.0016729900000000, -0.0013570100000000 ] - [ -0.0006749500000000, 0.0016724500000000, 0.0014339400000000 ] - [ 0.0000859800000000, -0.0066134100000000, 0.0000276200000000 ] - [ 0.0000374600000000, 0.0030316500000000, -0.0001648200000000 ] - [ 0.0001431800000000, 0.0030342500000000, 0.0002218000000000 ] - [ -0.0007700900000000, -0.0614146000000000, -0.0000859300000000 ] - [ -0.0004192600000000, 0.0101931300000000, -0.0003691300000000 ] - [ -0.0007940000000000, 0.0100636600000000, 0.0000428800000000 ] - [ -0.0237098200000000, 0.0001703000000000, 0.0120719600000000 ] - [ -0.0094395500000000, 0.0075625100000000, -0.0033055500000000 ] - [ 0.0047442700000000, 0.0002055100000000, -0.0186102100000000 ] - [ -0.0113410700000000, -0.0006462300000000, 0.0075782900000000 ] - [ -0.0111813500000000, 0.0012965900000000, 0.0051867800000000 ] - [ -0.0110211800000000, -0.0006447000000000, 0.0027928900000000 ] - [ -0.0031855200000000, -0.0007147900000000, 0.0113992600000000 ] - [ -0.0034626400000000, 0.0014414700000000, 0.0084935700000000 ] - [ -0.0037402700000000, -0.0007140000000000, 0.0055856800000000 ] - [ -0.0059723700000000, -0.0001903000000000, 0.0049714800000000 ] - [ -0.0059679300000000, 0.0003868200000000, 0.0049156700000000 ] - [ -0.0059676000000000, -0.0001884700000000, 0.0048590000000000 ] - [ -0.0063925100000000, -0.0005875300000000, 0.0034774500000000 ] - [ -0.0063943500000000, 0.0011788300000000, 0.0057621800000000 ] - [ -0.0063993000000000, -0.0005844200000000, 0.0080535900000000 ] - [ -0.0075941900000000, -0.0005582400000000, 0.0028014300000000 ] - [ -0.0075230500000000, 0.0011240400000000, 0.0047738000000000 ] - [ -0.0074501200000000, -0.0005583900000000, 0.0067473800000000 ] - [ -0.0067632200000000, -0.0001961500000000, 0.0037045700000000 ] - [ -0.0067572500000000, 0.0003997400000000, 0.0036383300000000 ] - [ -0.0067490500000000, -0.0001981000000000, 0.0035725500000000 ] - [ 0.0045813600000000, 0.0010637400000000, -0.0100939100000000 ] - [ -0.0069539700000000, 0.0055961700000000, 0.0044769800000000 ] - [ -0.0184066900000000, 0.0011032700000000, 0.0189678000000000 ] - [ 0.0017297000000000, -0.0000437000000000, 0.0173524600000000 ] - [ -0.0087604800000000, 0.0065391300000000, 0.0025073600000000 ] - [ -0.0191778100000000, -0.0000032500000000, -0.0122562700000000 ] - [ -0.0204486400000000, 0.0005892400000000, -0.0079236900000000 ] - [ -0.0070028000000000, 0.0059574500000000, 0.0051519900000000 ] - [ 0.0063554600000000, 0.0006207300000000, 0.0181600900000000 ]- atom: 118 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005443400000000, 0.0000000000000000, 0.0004914600000000 ] - [ -0.0005433500000000, 0.0000606900000000, 0.0004088800000000 ] - [ -0.0005433500000000, -0.0000606900000000, 0.0004088800000000 ] - [ -0.0002043400000000, 0.0000000000000000, 0.0010215700000000 ] - [ -0.0001772500000000, 0.0003376900000000, 0.0002652700000000 ] - [ -0.0001772500000000, -0.0003376900000000, 0.0002652700000000 ] - [ 0.0002767500000000, 0.0000000000000000, 0.0045792100000000 ] - [ -0.0000190300000000, 0.0006995300000000, 0.0008990300000000 ] - [ -0.0000190300000000, -0.0006995300000000, 0.0008990300000000 ] - [ 0.0044153500000000, 0.0000000000000000, -0.0045149000000000 ] - [ 0.0044228000000000, -0.0000029200000000, -0.0044344000000000 ] - [ 0.0044228000000000, 0.0000029200000000, -0.0044344000000000 ] - [ 0.0096733300000000, 0.0000000000000000, -0.0043135100000000 ] - [ 0.0097077000000000, -0.0006950200000000, -0.0040823000000000 ] - [ 0.0097077000000000, 0.0006950200000000, -0.0040823000000000 ] - [ 0.0013046700000000, 0.0000000000000000, -0.0081107700000000 ] - [ 0.0013155100000000, -0.0007068900000000, -0.0078712000000000 ] - [ 0.0013155100000000, 0.0007068900000000, -0.0078712000000000 ] - [ -0.0006341300000000, 0.0000904200000000, -0.0035284200000000 ] - [ -0.0006305100000000, 0.0000000000000000, -0.0029256800000000 ] - [ -0.0006341300000000, -0.0000904200000000, -0.0035284200000000 ] - [ 0.0019094700000000, 0.0000070300000000, -0.0004454000000000 ] - [ 0.0019137000000000, 0.0000000000000000, -0.0002977600000000 ] - [ 0.0019094700000000, -0.0000070300000000, -0.0004454000000000 ] - [ -0.0003806800000000, -0.0000815100000000, -0.0047218700000000 ] - [ -0.0003423000000000, 0.0000000000000000, -0.0039764900000000 ] - [ -0.0003806800000000, 0.0000815100000000, -0.0047218700000000 ] - [ 0.0019003800000000, 0.0000076300000000, -0.0008091800000000 ] - [ 0.0019134200000000, 0.0000000000000000, -0.0006410700000000 ] - [ 0.0019003800000000, -0.0000076300000000, -0.0008091800000000 ] - [ -0.0000834200000000, -0.0000786100000000, -0.0038985400000000 ] - [ -0.0001049300000000, 0.0000000000000000, -0.0032307700000000 ] - [ -0.0000834200000000, 0.0000786100000000, -0.0038985400000000 ] - [ 0.0021554300000000, 0.0002426700000000, -0.0009815500000000 ] - [ 0.0022179000000000, 0.0000000000000000, -0.0004591700000000 ] - [ 0.0021554300000000, -0.0002426700000000, -0.0009815500000000 ] - [ 0.0003052900000000, 0.0000909500000000, -0.0036063900000000 ] - [ 0.0003298200000000, 0.0000000000000000, -0.0029635100000000 ] - [ 0.0003052900000000, -0.0000909500000000, -0.0036063900000000 ] - [ -0.0008055200000000, -0.0003219000000000, 0.0107777900000000 ] - [ -0.0004413600000000, 0.0000000000000000, 0.0017719300000000 ] - [ -0.0008055200000000, 0.0003219000000000, 0.0107777900000000 ] - [ 0.0026399000000000, 0.0019039600000000, 0.0026205800000000 ] - [ 0.0023761100000000, 0.0000000000000000, 0.0015164200000000 ] - [ 0.0026399000000000, -0.0019039600000000, 0.0026205800000000 ] - [ -0.0012331000000000, 0.0009479400000000, -0.0035758300000000 ] - [ -0.0004905100000000, 0.0000000000000000, -0.0010764800000000 ] - [ -0.0012331000000000, -0.0009479400000000, -0.0035758300000000 ] - [ 0.0025922000000000, 0.0003312300000000, -0.0005498400000000 ] - [ 0.0025777200000000, 0.0000000000000000, -0.0000663700000000 ] - [ 0.0025922000000000, -0.0003312300000000, -0.0005498400000000 ] - [ 0.0009060500000000, 0.0011173200000000, -0.0032243200000000 ] - [ 0.0002589600000000, 0.0000000000000000, -0.0012283700000000 ] - [ 0.0009060500000000, -0.0011173200000000, -0.0032243200000000 ] - [ 0.0031716000000000, -0.0018517700000000, 0.0016608600000000 ] - [ 0.0030202300000000, 0.0000000000000000, 0.0004978500000000 ] - [ 0.0031716000000000, 0.0018517700000000, 0.0016608600000000 ] - [ -0.0000081000000000, -0.0003708700000000, 0.0109261800000000 ] - [ -0.0003299400000000, 0.0000000000000000, 0.0023742900000000 ] - [ -0.0000081000000000, 0.0003708700000000, 0.0109261800000000 ] - [ 0.0013645700000000, -0.0001147800000000, -0.0009821100000000 ] - [ 0.0013823500000000, 0.0000000000000000, -0.0005586900000000 ] - [ 0.0013645700000000, 0.0001147800000000, -0.0009821100000000 ] - [ 0.0008064700000000, -0.0007431600000000, -0.0033636500000000 ] - [ 0.0003158600000000, 0.0000000000000000, -0.0008051500000000 ] - [ 0.0008064700000000, 0.0007431600000000, -0.0033636500000000 ] - [ 0.0049880900000000, -0.0063507600000000, -0.0018141500000000 ] - [ 0.0022540300000000, 0.0000000000000000, 0.0004612300000000 ] - [ 0.0049880900000000, 0.0063507600000000, -0.0018141500000000 ] - [ -0.0005036600000000, -0.0008108300000000, -0.0047063800000000 ] - [ -0.0001249300000000, 0.0000000000000000, -0.0024947200000000 ] - [ -0.0005036600000000, 0.0008108300000000, -0.0047063800000000 ] - [ 0.0005205900000000, 0.0051593600000000, 0.0009603300000000 ] - [ 0.0027080700000000, 0.0000000000000000, 0.0011285100000000 ] - [ 0.0005205900000000, -0.0051593600000000, 0.0009603300000000 ] - [ 0.0024552800000000, -0.0001810200000000, -0.0007211300000000 ] - [ 0.0024364000000000, 0.0000000000000000, -0.0001723700000000 ] - [ 0.0024552800000000, 0.0001810200000000, -0.0007211300000000 ] - [ 0.0057128200000000, 0.0000000000000000, -0.0045751700000000 ] - [ 0.0055765700000000, 0.0006015600000000, -0.0040827200000000 ] - [ 0.0055765700000000, -0.0006015600000000, -0.0040827200000000 ] - [ 0.0063150200000000, 0.0000000000000000, 0.0005914700000000 ] - [ 0.0052308100000000, 0.0023945600000000, -0.0018572700000000 ] - [ 0.0052308100000000, -0.0023945600000000, -0.0018572700000000 ] - [ 0.0050289000000000, 0.0000000000000000, -0.0034066300000000 ] - [ 0.0050185400000000, -0.0000021600000000, -0.0033272200000000 ] - [ 0.0050185400000000, 0.0000021600000000, -0.0033272200000000 ] - [ 0.0036219200000000, 0.0000000000000000, 0.0014220000000000 ] - [ 0.0064036700000000, -0.0028473000000000, 0.0005603800000000 ] - [ 0.0064036700000000, 0.0028473000000000, 0.0005603800000000 ] - [ 0.0046159100000000, 0.0000000000000000, -0.0054664700000000 ] - [ 0.0046546000000000, 0.0006307800000000, -0.0049822500000000 ] - [ 0.0046546000000000, -0.0006307800000000, -0.0049822500000000 ] - [ 0.0007789300000000, 0.0000000000000000, -0.0032894600000000 ] - [ 0.0044156700000000, 0.0029606400000000, -0.0025029100000000 ] - [ 0.0044156700000000, -0.0029606400000000, -0.0025029100000000 ] - [ 0.0114516100000000, 0.0000000000000000, 0.0039813800000000 ] - [ 0.0076882000000000, -0.0034632500000000, 0.0056807100000000 ] - [ 0.0076882000000000, 0.0034632500000000, 0.0056807100000000 ] - [ 0.0004541100000000, 0.0000000000000000, 0.0012408700000000 ] - [ 0.0004500500000000, 0.0001328000000000, 0.0010622800000000 ] - [ 0.0004500500000000, -0.0001328000000000, 0.0010622800000000 ] - [ -0.0002962500000000, 0.0000000000000000, 0.0011554400000000 ] - [ -0.0002943200000000, -0.0001261600000000, 0.0009526500000000 ] - [ -0.0002943200000000, 0.0001261600000000, 0.0009526500000000 ] - [ -0.0002933400000000, 0.0000000000000000, 0.0017905500000000 ] - [ -0.0002871000000000, -0.0007069100000000, 0.0001310000000000 ] - [ -0.0002871000000000, 0.0007069100000000, 0.0001310000000000 ] - [ -0.0000330100000000, 0.0000000000000000, 0.0012101500000000 ] - [ -0.0000363300000000, -0.0001262800000000, 0.0009965400000000 ] - [ -0.0000363300000000, 0.0001262800000000, 0.0009965400000000 ] - [ -0.0007119600000000, 0.0000000000000000, 0.0094397000000000 ] - [ -0.0007320300000000, -0.0013980400000000, 0.0010465500000000 ] - [ -0.0007320300000000, 0.0013980400000000, 0.0010465500000000 ] - [ 0.0001442800000000, 0.0000000000000000, -0.0076351200000000 ] - [ 0.0001333200000000, 0.0002311400000000, -0.0030138000000000 ] - [ 0.0001333200000000, -0.0002311400000000, -0.0030138000000000 ] - [ 0.0035696800000000, 0.0000000000000000, -0.0506569500000000 ] - [ -0.0006882500000000, 0.0001916100000000, -0.0043811200000000 ] - [ -0.0006882500000000, -0.0001916100000000, -0.0043811200000000 ] - [ -0.0238266100000000, 0.0149356800000000, -0.0044877400000000 ] - [ -0.0092627900000000, 0.0000000000000000, -0.0059773300000000 ] - [ -0.0238266100000000, -0.0149356800000000, -0.0044877400000000 ] - [ -0.0113996300000000, 0.0006740100000000, 0.0093963100000000 ] - [ -0.0112715500000000, 0.0000000000000000, 0.0070576600000000 ] - [ -0.0113996300000000, -0.0006740100000000, 0.0093963100000000 ] - [ -0.0030857600000000, 0.0006999300000000, 0.0129863100000000 ] - [ -0.0032913100000000, 0.0000000000000000, 0.0104276100000000 ] - [ -0.0030857600000000, -0.0006999300000000, 0.0129863100000000 ] - [ -0.0056711400000000, -0.0000026300000000, 0.0077544400000000 ] - [ -0.0057212900000000, 0.0000000000000000, 0.0071623700000000 ] - [ -0.0056711400000000, 0.0000026300000000, 0.0077544400000000 ] - [ -0.0062037900000000, -0.0006602800000000, 0.0091029600000000 ] - [ -0.0062314000000000, 0.0000000000000000, 0.0070919400000000 ] - [ -0.0062037900000000, 0.0006602800000000, 0.0091029600000000 ] - [ -0.0075559000000000, -0.0006461600000000, 0.0077684400000000 ] - [ -0.0075812800000000, 0.0000000000000000, 0.0059685400000000 ] - [ -0.0075559000000000, 0.0006461600000000, 0.0077684400000000 ] - [ -0.0069299400000000, -0.0000013600000000, 0.0067170200000000 ] - [ -0.0068995700000000, 0.0000000000000000, 0.0060580900000000 ] - [ -0.0069299400000000, 0.0000013600000000, 0.0067170200000000 ] - [ -0.0176109000000000, -0.0140697400000000, 0.0025153700000000 ] - [ -0.0069665100000000, 0.0000000000000000, 0.0016177600000000 ] - [ -0.0176109000000000, 0.0140697400000000, 0.0025153700000000 ] - [ 0.0013283500000000, 0.0143611500000000, 0.0013528800000000 ] - [ -0.0088251300000000, 0.0000000000000000, 0.0001492700000000 ] - [ 0.0013283500000000, -0.0143611500000000, 0.0013528800000000 ] - [ 0.0050203000000000, -0.0125103700000000, 0.0034986600000000 ] - [ -0.0072123200000000, 0.0000000000000000, 0.0024562300000000 ] - [ 0.0050203000000000, 0.0125103700000000, 0.0034986600000000 ]- atom: 118 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005263100000000, 0.0000000000000000, -0.0006222500000000 ] - [ -0.0005272500000000, -0.0000606100000000, -0.0005404900000000 ] - [ -0.0005272500000000, 0.0000606100000000, -0.0005404900000000 ] - [ -0.0000605100000000, 0.0000000000000000, -0.0009048500000000 ] - [ -0.0000875500000000, -0.0003375100000000, -0.0001502200000000 ] - [ -0.0000875500000000, 0.0003375100000000, -0.0001502200000000 ] - [ -0.0005822300000000, 0.0000000000000000, -0.0038996200000000 ] - [ -0.0002915400000000, -0.0006977300000000, -0.0002770700000000 ] - [ -0.0002915400000000, 0.0006977300000000, -0.0002770700000000 ] - [ 0.0045586500000000, 0.0000000000000000, -0.0028846200000000 ] - [ 0.0045519700000000, 0.0000042000000000, -0.0029651800000000 ] - [ 0.0045519700000000, -0.0000042000000000, -0.0029651800000000 ] - [ 0.0095982200000000, 0.0000000000000000, -0.0025761700000000 ] - [ 0.0095651200000000, 0.0006938400000000, -0.0028062500000000 ] - [ 0.0095651200000000, -0.0006938400000000, -0.0028062500000000 ] - [ 0.0014542900000000, 0.0000000000000000, -0.0063199500000000 ] - [ 0.0014430400000000, 0.0007055300000000, -0.0065586900000000 ] - [ 0.0014430400000000, -0.0007055300000000, -0.0065586900000000 ] - [ -0.0006597000000000, -0.0000909300000000, 0.0009248100000000 ] - [ -0.0006629200000000, 0.0000000000000000, 0.0003210100000000 ] - [ -0.0006597000000000, 0.0000909300000000, 0.0009248100000000 ] - [ 0.0020319000000000, -0.0000070700000000, 0.0009583500000000 ] - [ 0.0020234100000000, 0.0000000000000000, 0.0008107800000000 ] - [ 0.0020319000000000, 0.0000070700000000, 0.0009583500000000 ] - [ -0.0002574100000000, 0.0000814400000000, 0.0007656100000000 ] - [ -0.0002956400000000, 0.0000000000000000, 0.0000205300000000 ] - [ -0.0002574100000000, -0.0000814400000000, 0.0007656100000000 ] - [ 0.0019931000000000, -0.0000078200000000, 0.0009194100000000 ] - [ 0.0019822300000000, 0.0000000000000000, 0.0007511900000000 ] - [ 0.0019931000000000, 0.0000078200000000, 0.0009194100000000 ] - [ -0.0000164200000000, 0.0000781200000000, 0.0012425000000000 ] - [ 0.0000058300000000, 0.0000000000000000, 0.0005777600000000 ] - [ -0.0000164200000000, -0.0000781200000000, 0.0012425000000000 ] - [ 0.0024022000000000, -0.0002429100000000, 0.0007967700000000 ] - [ 0.0023413900000000, 0.0000000000000000, 0.0002745300000000 ] - [ 0.0024022000000000, 0.0002429100000000, 0.0007967700000000 ] - [ 0.0003820900000000, -0.0000913000000000, 0.0011403100000000 ] - [ 0.0003573800000000, 0.0000000000000000, 0.0004951700000000 ] - [ 0.0003820900000000, 0.0000913000000000, 0.0011403100000000 ] - [ -0.0002064700000000, 0.0003049400000000, -0.0146589000000000 ] - [ -0.0005681900000000, 0.0000000000000000, -0.0056627700000000 ] - [ -0.0002064700000000, -0.0003049400000000, -0.0146589000000000 ] - [ 0.0023270500000000, -0.0019078500000000, -0.0015484500000000 ] - [ 0.0025892700000000, 0.0000000000000000, -0.0004388700000000 ] - [ 0.0023270500000000, 0.0019078500000000, -0.0015484500000000 ] - [ 0.0002820400000000, -0.0009526500000000, 0.0012538700000000 ] - [ -0.0004650800000000, 0.0000000000000000, -0.0012407000000000 ] - [ 0.0002820400000000, 0.0009526500000000, 0.0012538700000000 ] - [ 0.0026202900000000, -0.0003347300000000, 0.0014357900000000 ] - [ 0.0026314300000000, 0.0000000000000000, 0.0009488500000000 ] - [ 0.0026202900000000, 0.0003347300000000, 0.0014357900000000 ] - [ -0.0006490400000000, -0.0011227900000000, 0.0001939900000000 ] - [ 0.0000049900000000, 0.0000000000000000, -0.0017944900000000 ] - [ -0.0006490400000000, 0.0011227900000000, 0.0001939900000000 ] - [ 0.0027051700000000, 0.0018461700000000, -0.0023510000000000 ] - [ 0.0028525400000000, 0.0000000000000000, -0.0011966400000000 ] - [ 0.0027051700000000, -0.0018461700000000, -0.0023510000000000 ] - [ -0.0005542400000000, 0.0003742300000000, -0.0137427400000000 ] - [ -0.0002339200000000, 0.0000000000000000, -0.0052029700000000 ] - [ -0.0005542400000000, -0.0003742300000000, -0.0137427400000000 ] - [ 0.0014663700000000, 0.0001145800000000, 0.0006170900000000 ] - [ 0.0014486500000000, 0.0000000000000000, 0.0001941300000000 ] - [ 0.0014663700000000, -0.0001145800000000, 0.0006170900000000 ] - [ 0.0000340400000000, 0.0007411300000000, 0.0024604700000000 ] - [ 0.0005216100000000, 0.0000000000000000, -0.0001006000000000 ] - [ 0.0000340400000000, -0.0007411300000000, 0.0024604700000000 ] - [ -0.0002766200000000, 0.0063557400000000, 0.0015612200000000 ] - [ 0.0024426100000000, 0.0000000000000000, -0.0007916900000000 ] - [ -0.0002766200000000, -0.0063557400000000, 0.0015612200000000 ] - [ 0.0002486600000000, 0.0008077400000000, 0.0005876100000000 ] - [ -0.0001259200000000, 0.0000000000000000, -0.0016256600000000 ] - [ 0.0002486600000000, -0.0008077400000000, 0.0005876100000000 ] - [ 0.0043436800000000, -0.0050568800000000, -0.0007549000000000 ] - [ 0.0021512300000000, 0.0000000000000000, -0.0007570900000000 ] - [ 0.0043436800000000, 0.0050568800000000, -0.0007549000000000 ] - [ 0.0023715700000000, 0.0001796700000000, 0.0012425400000000 ] - [ 0.0023900900000000, 0.0000000000000000, 0.0006956200000000 ] - [ 0.0023715700000000, -0.0001796700000000, 0.0012425400000000 ] - [ 0.0053371600000000, 0.0000000000000000, -0.0023579200000000 ] - [ 0.0054776800000000, -0.0006029900000000, -0.0028529900000000 ] - [ 0.0054776800000000, 0.0006029900000000, -0.0028529900000000 ] - [ 0.0032232600000000, 0.0000000000000000, -0.0076820200000000 ] - [ 0.0040672000000000, -0.0023943200000000, -0.0049617200000000 ] - [ 0.0040672000000000, 0.0023943200000000, -0.0049617200000000 ] - [ 0.0048648800000000, 0.0000000000000000, -0.0017529000000000 ] - [ 0.0048752000000000, 0.0000022400000000, -0.0018326400000000 ] - [ 0.0048752000000000, -0.0000022400000000, -0.0018326400000000 ] - [ 0.0103887900000000, 0.0000000000000000, -0.0025471100000000 ] - [ 0.0074383300000000, 0.0028468900000000, -0.0018983900000000 ] - [ 0.0074383300000000, -0.0028468900000000, -0.0018983900000000 ] - [ 0.0048267100000000, 0.0000000000000000, -0.0031998600000000 ] - [ 0.0047846800000000, -0.0006319200000000, -0.0036868500000000 ] - [ 0.0047846800000000, 0.0006319200000000, -0.0036868500000000 ] - [ 0.0095391000000000, 0.0000000000000000, -0.0048488400000000 ] - [ 0.0059913500000000, -0.0029625700000000, -0.0055001000000000 ] - [ 0.0059913500000000, 0.0029625700000000, -0.0055001000000000 ] - [ 0.0022571900000000, 0.0000000000000000, 0.0048499700000000 ] - [ 0.0060712000000000, 0.0034587400000000, 0.0030599400000000 ] - [ 0.0060712000000000, -0.0034587400000000, 0.0030599400000000 ] - [ 0.0004077000000000, 0.0000000000000000, -0.0010256500000000 ] - [ 0.0004126500000000, -0.0001323500000000, -0.0008463300000000 ] - [ 0.0004126500000000, 0.0001323500000000, -0.0008463300000000 ] - [ -0.0003100000000000, 0.0000000000000000, -0.0009770400000000 ] - [ -0.0003102100000000, 0.0001273600000000, -0.0007743800000000 ] - [ -0.0003102100000000, -0.0001273600000000, -0.0007743800000000 ] - [ -0.0004993600000000, 0.0000000000000000, -0.0021269500000000 ] - [ -0.0005050700000000, 0.0007065900000000, -0.0004674400000000 ] - [ -0.0005050700000000, -0.0007065900000000, -0.0004674400000000 ] - [ -0.0000377400000000, 0.0000000000000000, -0.0011145000000000 ] - [ -0.0000357200000000, 0.0001265600000000, -0.0008988300000000 ] - [ -0.0000357200000000, -0.0001265600000000, -0.0008988300000000 ] - [ -0.0004497200000000, 0.0000000000000000, -0.0094955000000000 ] - [ -0.0004303900000000, 0.0013998200000000, -0.0009669600000000 ] - [ -0.0004303900000000, -0.0013998200000000, -0.0009669600000000 ] - [ 0.0000283200000000, 0.0000000000000000, 0.0076921800000000 ] - [ 0.0000462000000000, -0.0002377100000000, 0.0030710100000000 ] - [ 0.0000462000000000, 0.0002377100000000, 0.0030710100000000 ] - [ -0.0050275800000000, 0.0000000000000000, 0.0506606300000000 ] - [ -0.0005253600000000, -0.0002203000000000, 0.0040565600000000 ] - [ -0.0005253600000000, 0.0002203000000000, 0.0040565600000000 ] - [ 0.0048395900000000, -0.0148434900000000, -0.0021654200000000 ] - [ -0.0096108700000000, 0.0000000000000000, -0.0006436100000000 ] - [ 0.0048395900000000, 0.0148434900000000, -0.0021654200000000 ] - [ -0.0109611200000000, -0.0006717000000000, 0.0009768600000000 ] - [ -0.0110901700000000, 0.0000000000000000, 0.0033108700000000 ] - [ -0.0109611200000000, 0.0006717000000000, 0.0009768600000000 ] - [ -0.0038418000000000, -0.0006973500000000, 0.0039990700000000 ] - [ -0.0036348400000000, 0.0000000000000000, 0.0065558000000000 ] - [ -0.0038418000000000, 0.0006973500000000, 0.0039990700000000 ] - [ -0.0062681100000000, 0.0000007900000000, 0.0020775300000000 ] - [ -0.0062128600000000, 0.0000000000000000, 0.0026712100000000 ] - [ -0.0062681100000000, -0.0000007900000000, 0.0020775300000000 ] - [ -0.0065895900000000, 0.0006616000000000, 0.0024304400000000 ] - [ -0.0065561700000000, 0.0000000000000000, 0.0044364100000000 ] - [ -0.0065895900000000, -0.0006616000000000, 0.0024304400000000 ] - [ -0.0074857500000000, 0.0006513900000000, 0.0017805600000000 ] - [ -0.0074642200000000, 0.0000000000000000, 0.0035852000000000 ] - [ -0.0074857500000000, -0.0006513900000000, 0.0017805600000000 ] - [ -0.0065822500000000, 0.0000046300000000, 0.0005615600000000 ] - [ -0.0066146800000000, 0.0000000000000000, 0.0012188200000000 ] - [ -0.0065822500000000, -0.0000046300000000, 0.0005615600000000 ] - [ 0.0037748200000000, 0.0141496400000000, 0.0064809400000000 ] - [ -0.0069447600000000, 0.0000000000000000, 0.0073448800000000 ] - [ 0.0037748200000000, -0.0141496400000000, 0.0064809400000000 ] - [ -0.0187726200000000, -0.0142702000000000, 0.0036159400000000 ] - [ -0.0086982100000000, 0.0000000000000000, 0.0048545800000000 ] - [ -0.0187726200000000, 0.0142702000000000, 0.0036159400000000 ] - [ -0.0190975200000000, 0.0125808600000000, 0.0068296300000000 ] - [ -0.0067858700000000, 0.0000000000000000, 0.0078518500000000 ] - [ -0.0190975200000000, -0.0125808600000000, 0.0068296300000000 ]- atom: 121 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0004611100000000, 0.0001276600000000, -0.0002759200000000 ] - [ -0.0004611100000000, -0.0001276600000000, -0.0002759200000000 ] - [ -0.0005075400000000, 0.0000000000000000, -0.0001359900000000 ] - [ 0.0032579200000000, 0.0073702700000000, -0.0058307500000000 ] - [ 0.0032579200000000, -0.0073702700000000, -0.0058307500000000 ] - [ -0.0001680900000000, 0.0000000000000000, 0.0001505600000000 ] - [ 0.0031362400000000, -0.0078355000000000, 0.0074694200000000 ] - [ 0.0031362400000000, 0.0078355000000000, 0.0074694200000000 ] - [ -0.0001008800000000, 0.0000000000000000, 0.0004588900000000 ] - [ 0.0045100800000000, -0.0001292900000000, -0.0034979900000000 ] - [ 0.0045100800000000, 0.0001292900000000, -0.0034979900000000 ] - [ 0.0044957600000000, 0.0000000000000000, -0.0035596800000000 ] - [ 0.0092077200000000, -0.0006090300000000, -0.0035487100000000 ] - [ 0.0092077200000000, 0.0006090300000000, -0.0035487100000000 ] - [ 0.0095821500000000, 0.0000000000000000, -0.0034509600000000 ] - [ 0.0020198900000000, -0.0029582400000000, -0.0059720500000000 ] - [ 0.0020198900000000, 0.0029582400000000, -0.0059720500000000 ] - [ 0.0014504600000000, 0.0000000000000000, -0.0072208000000000 ] - [ -0.0006131700000000, 0.0000000000000000, -0.0006255200000000 ] - [ -0.0006463600000000, 0.0000063900000000, -0.0008658900000000 ] - [ -0.0006463600000000, -0.0000063900000000, -0.0008658900000000 ] - [ 0.0019783800000000, 0.0000000000000000, 0.0005353800000000 ] - [ 0.0019433400000000, 0.0000252300000000, 0.0003942600000000 ] - [ 0.0019433400000000, -0.0000252300000000, 0.0003942600000000 ] - [ 0.0003348200000000, 0.0000000000000000, 0.0001340500000000 ] - [ -0.0002625000000000, 0.0002906800000000, -0.0014135000000000 ] - [ -0.0002625000000000, -0.0002906800000000, -0.0014135000000000 ] - [ 0.0019967800000000, 0.0000000000000000, 0.0003995700000000 ] - [ 0.0019908200000000, 0.0000289000000000, 0.0002250300000000 ] - [ 0.0019908200000000, -0.0000289000000000, 0.0002250300000000 ] - [ -0.0003803900000000, 0.0000000000000000, -0.0003457600000000 ] - [ -0.0000344700000000, 0.0000643700000000, -0.0011306600000000 ] - [ -0.0000344700000000, -0.0000643700000000, -0.0011306600000000 ] - [ 0.0024824100000000, 0.0000000000000000, 0.0001695500000000 ] - [ 0.0023481200000000, -0.0000319600000000, 0.0000558300000000 ] - [ 0.0023481200000000, 0.0000319600000000, 0.0000558300000000 ] - [ 0.0004184700000000, 0.0000000000000000, -0.0002263600000000 ] - [ 0.0003561600000000, -0.0000015700000000, -0.0006299700000000 ] - [ 0.0003561600000000, 0.0000015700000000, -0.0006299700000000 ] - [ -0.0198948300000000, 0.0000000000000000, -0.0040714800000000 ] - [ -0.0014627100000000, -0.0002934700000000, -0.0023846200000000 ] - [ -0.0014627100000000, 0.0002934700000000, -0.0023846200000000 ] - [ 0.0034596600000000, 0.0000000000000000, -0.0002927900000000 ] - [ 0.0025486700000000, 0.0007538000000000, -0.0003702800000000 ] - [ 0.0025486700000000, -0.0007538000000000, -0.0003702800000000 ] - [ -0.0000836900000000, 0.0000000000000000, 0.0015338800000000 ] - [ -0.0003617600000000, -0.0001976600000000, -0.0005717300000000 ] - [ -0.0003617600000000, 0.0001976600000000, -0.0005717300000000 ] - [ 0.0024585800000000, 0.0000000000000000, 0.0006917800000000 ] - [ 0.0025563200000000, -0.0000232000000000, 0.0006148300000000 ] - [ 0.0025563200000000, 0.0000232000000000, 0.0006148300000000 ] - [ -0.0002247300000000, 0.0000000000000000, -0.0011571300000000 ] - [ 0.0000112100000000, -0.0000389900000000, -0.0013666100000000 ] - [ 0.0000112100000000, 0.0000389900000000, -0.0013666100000000 ] - [ -0.0014965600000000, 0.0000000000000000, 0.0069388100000000 ] - [ 0.0031992000000000, 0.0004310400000000, -0.0000987300000000 ] - [ 0.0031992000000000, -0.0004310400000000, -0.0000987300000000 ] - [ 0.0195028700000000, 0.0000000000000000, 0.0118395500000000 ] - [ 0.0004782700000000, -0.0002391700000000, -0.0018570100000000 ] - [ 0.0004782700000000, 0.0002391700000000, -0.0018570100000000 ] - [ -0.0006388500000000, 0.0000000000000000, 0.0004407200000000 ] - [ 0.0012076200000000, 0.0001944700000000, -0.0001942000000000 ] - [ 0.0012076200000000, -0.0001944700000000, -0.0001942000000000 ] - [ 0.0223066200000000, 0.0000000000000000, -0.0212021300000000 ] - [ 0.0008604800000000, 0.0002777000000000, -0.0016205600000000 ] - [ 0.0008604800000000, -0.0002777000000000, -0.0016205600000000 ] - [ 0.1116118900000000, 0.0000000000000000, 0.0169123500000000 ] - [ 0.0022951000000000, 0.0002015200000000, -0.0001437500000000 ] - [ 0.0022951000000000, -0.0002015200000000, -0.0001437500000000 ] - [ -0.0153179100000000, 0.0000000000000000, 0.0005984100000000 ] - [ -0.0005386400000000, 0.0000997400000000, -0.0024642400000000 ] - [ -0.0005386400000000, -0.0000997400000000, -0.0024642400000000 ] - [ 0.0003376100000000, 0.0000000000000000, 0.0007952000000000 ] - [ 0.0023089600000000, -0.0006775500000000, 0.0007056200000000 ] - [ 0.0023089600000000, 0.0006775500000000, 0.0007056200000000 ] - [ 0.0051648500000000, 0.0000000000000000, -0.0002528700000000 ] - [ 0.0026896600000000, -0.0000716100000000, -0.0000788600000000 ] - [ 0.0026896600000000, 0.0000716100000000, -0.0000788600000000 ] - [ 0.0055158100000000, 0.0000554900000000, -0.0032931900000000 ] - [ 0.0055158100000000, -0.0000554900000000, -0.0032931900000000 ] - [ 0.0055082600000000, 0.0000000000000000, -0.0033387000000000 ] - [ 0.0035065800000000, 0.0000813800000000, -0.0034441600000000 ] - [ 0.0035065800000000, -0.0000813800000000, -0.0034441600000000 ] - [ 0.0044353700000000, 0.0000000000000000, -0.0034131600000000 ] - [ 0.0049266200000000, -0.0001462600000000, -0.0022879000000000 ] - [ 0.0049266200000000, 0.0001462600000000, -0.0022879000000000 ] - [ 0.0049279900000000, 0.0000000000000000, -0.0023473400000000 ] - [ -0.0111862900000000, -0.0023840300000000, 0.0003533800000000 ] - [ -0.0111862900000000, 0.0023840300000000, 0.0003533800000000 ] - [ 0.0064250300000000, 0.0000000000000000, -0.0008574800000000 ] - [ 0.0047250100000000, 0.0001691900000000, -0.0040330300000000 ] - [ 0.0047250100000000, -0.0001691900000000, -0.0040330300000000 ] - [ 0.0047420200000000, 0.0000000000000000, -0.0041110400000000 ] - [ 0.0062622400000000, 0.0018752900000000, -0.0031528500000000 ] - [ 0.0062622400000000, -0.0018752900000000, -0.0031528500000000 ] - [ 0.0054420800000000, 0.0000000000000000, -0.0039640400000000 ] - [ 0.0232528200000000, 0.0119719400000000, 0.0043931800000000 ] - [ 0.0232528200000000, -0.0119719400000000, 0.0043931800000000 ] - [ 0.0076774400000000, 0.0000000000000000, 0.0041829200000000 ] - [ 0.0002422500000000, 0.0001509100000000, -0.0000671700000000 ] - [ 0.0002422500000000, -0.0001509100000000, -0.0000671700000000 ] - [ 0.0003600800000000, 0.0000000000000000, 0.0000412000000000 ] - [ -0.0003210000000000, 0.0000028600000000, -0.0001907300000000 ] - [ -0.0003210000000000, -0.0000028600000000, -0.0001907300000000 ] - [ -0.0003076900000000, 0.0000000000000000, -0.0001249100000000 ] - [ -0.0006669100000000, -0.0001243100000000, -0.0002638100000000 ] - [ -0.0006669100000000, 0.0001243100000000, -0.0002638100000000 ] - [ -0.0005124600000000, 0.0000000000000000, -0.0001721000000000 ] - [ -0.0000247500000000, 0.0000046000000000, -0.0002536500000000 ] - [ -0.0000247500000000, -0.0000046000000000, -0.0002536500000000 ] - [ -0.0000337600000000, 0.0000000000000000, -0.0001882100000000 ] - [ -0.0003364900000000, -0.0001897900000000, -0.0003864500000000 ] - [ -0.0003364900000000, 0.0001897900000000, -0.0003864500000000 ] - [ -0.0004676400000000, 0.0000000000000000, -0.0002071900000000 ] - [ 0.0025411900000000, 0.0124778500000000, 0.0135345300000000 ] - [ 0.0025411900000000, -0.0124778500000000, 0.0135345300000000 ] - [ -0.0000902000000000, 0.0000000000000000, 0.0001713100000000 ] - [ 0.0060727200000000, -0.0142871600000000, -0.0145624300000000 ] - [ 0.0060727200000000, 0.0142871600000000, -0.0145624300000000 ] - [ -0.0004116800000000, 0.0000000000000000, 0.0000160000000000 ] - [ -0.3100283500000000, 0.0000000000000000, 0.0042984300000000 ] - [ -0.0123561400000000, 0.0001004300000000, -0.0020681500000000 ] - [ -0.0123561400000000, -0.0001004300000000, -0.0020681500000000 ] - [ -0.0079167100000000, 0.0000000000000000, 0.0049351800000000 ] - [ -0.0106858600000000, -0.0002639700000000, 0.0054312000000000 ] - [ -0.0106858600000000, 0.0002639700000000, 0.0054312000000000 ] - [ -0.0098472800000000, 0.0000000000000000, -0.0057776600000000 ] - [ -0.0039787600000000, -0.0019187400000000, 0.0089815600000000 ] - [ -0.0039787600000000, 0.0019187400000000, 0.0089815600000000 ] - [ -0.0061532300000000, 0.0000000000000000, 0.0038917600000000 ] - [ -0.0060071700000000, -0.0001051900000000, 0.0044729000000000 ] - [ -0.0060071700000000, 0.0001051900000000, 0.0044729000000000 ] - [ -0.0064821800000000, 0.0000000000000000, 0.0042186600000000 ] - [ -0.0064290400000000, 0.0001221000000000, 0.0050031100000000 ] - [ -0.0064290400000000, -0.0001221000000000, 0.0050031100000000 ] - [ -0.0075959900000000, 0.0000000000000000, 0.0041299100000000 ] - [ -0.0075190800000000, 0.0000576000000000, 0.0043389300000000 ] - [ -0.0075190800000000, -0.0000576000000000, 0.0043389300000000 ] - [ -0.0066329000000000, 0.0000000000000000, 0.0022225400000000 ] - [ -0.0067092900000000, -0.0001114000000000, 0.0028645000000000 ] - [ -0.0067092900000000, 0.0001114000000000, 0.0028645000000000 ] - [ -0.0051607100000000, 0.0000000000000000, 0.0060143100000000 ] - [ -0.0059180700000000, 0.0001098600000000, 0.0045602200000000 ] - [ -0.0059180700000000, -0.0001098600000000, 0.0045602200000000 ] - [ 0.1576515500000000, 0.0000000000000000, -0.0114574500000000 ] - [ -0.0073984700000000, -0.0007361300000000, 0.0030954900000000 ] - [ -0.0073984700000000, 0.0007361300000000, 0.0030954900000000 ] - [ -0.0091498300000000, 0.0000000000000000, -0.0035536700000000 ] - [ -0.0079330900000000, 0.0011220800000000, 0.0049923000000000 ] - [ -0.0079330900000000, -0.0011220800000000, 0.0049923000000000 ]- atom: 121 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0006087900000000, -0.0001284700000000, 0.0001456400000000 ] - [ -0.0006087900000000, 0.0001284700000000, 0.0001456400000000 ] - [ -0.0005626700000000, 0.0000000000000000, 0.0000064700000000 ] - [ -0.0035408600000000, -0.0074762600000000, 0.0060422800000000 ] - [ -0.0035408600000000, 0.0074762600000000, 0.0060422800000000 ] - [ -0.0000982100000000, 0.0000000000000000, -0.0000374400000000 ] - [ -0.0034123200000000, 0.0077394400000000, -0.0067757900000000 ] - [ -0.0034123200000000, -0.0077394400000000, -0.0067757900000000 ] - [ -0.0002084200000000, 0.0000000000000000, 0.0001537900000000 ] - [ 0.0044642800000000, 0.0001278000000000, -0.0039019800000000 ] - [ 0.0044642800000000, -0.0001278000000000, -0.0039019800000000 ] - [ 0.0044779700000000, 0.0000000000000000, -0.0038402200000000 ] - [ 0.0100638400000000, 0.0006189000000000, -0.0033455900000000 ] - [ 0.0100638400000000, -0.0006189000000000, -0.0033455900000000 ] - [ 0.0096906200000000, 0.0000000000000000, -0.0034374100000000 ] - [ 0.0007363900000000, 0.0029495300000000, -0.0084524800000000 ] - [ 0.0007363900000000, -0.0029495300000000, -0.0084524800000000 ] - [ 0.0013085700000000, 0.0000000000000000, -0.0072069100000000 ] - [ -0.0006784200000000, 0.0000000000000000, -0.0019802100000000 ] - [ -0.0006472400000000, -0.0000059700000000, -0.0017368100000000 ] - [ -0.0006472400000000, 0.0000059700000000, -0.0017368100000000 ] - [ 0.0019663500000000, 0.0000000000000000, -0.0000225900000000 ] - [ 0.0019952700000000, -0.0000250600000000, 0.0001190200000000 ] - [ 0.0019952700000000, 0.0000250600000000, 0.0001190200000000 ] - [ -0.0009464000000000, 0.0000000000000000, -0.0040794300000000 ] - [ -0.0003748000000000, -0.0002900400000000, -0.0025398200000000 ] - [ -0.0003748000000000, 0.0002900400000000, -0.0025398200000000 ] - [ 0.0019000300000000, 0.0000000000000000, -0.0002871400000000 ] - [ 0.0019043300000000, -0.0000287500000000, -0.0001144100000000 ] - [ 0.0019043300000000, 0.0000287500000000, -0.0001144100000000 ] - [ 0.0002887200000000, 0.0000000000000000, -0.0023117800000000 ] - [ -0.0000651700000000, -0.0000652300000000, -0.0015246000000000 ] - [ -0.0000651700000000, 0.0000652300000000, -0.0015246000000000 ] - [ 0.0020819700000000, 0.0000000000000000, -0.0003545600000000 ] - [ 0.0022101700000000, 0.0000325300000000, -0.0002392200000000 ] - [ 0.0022101700000000, -0.0000325300000000, -0.0002392200000000 ] - [ 0.0002743600000000, 0.0000000000000000, -0.0022356300000000 ] - [ 0.0003308500000000, 0.0000016300000000, -0.0018350700000000 ] - [ 0.0003308500000000, -0.0000016300000000, -0.0018350700000000 ] - [ 0.0190027700000000, 0.0000000000000000, 0.0000276700000000 ] - [ 0.0004537400000000, 0.0002872500000000, -0.0015196400000000 ] - [ 0.0004537400000000, -0.0002872500000000, -0.0015196400000000 ] - [ 0.0015128800000000, 0.0000000000000000, 0.0013703200000000 ] - [ 0.0024188000000000, -0.0007670900000000, 0.0014614700000000 ] - [ 0.0024188000000000, 0.0007670900000000, 0.0014614700000000 ] - [ -0.0008634700000000, 0.0000000000000000, -0.0038189800000000 ] - [ -0.0005943400000000, 0.0001983100000000, -0.0017394000000000 ] - [ -0.0005943400000000, -0.0001983100000000, -0.0017394000000000 ] - [ 0.0027523700000000, 0.0000000000000000, 0.0001904900000000 ] - [ 0.0026542600000000, 0.0000240400000000, 0.0002695100000000 ] - [ 0.0026542600000000, -0.0000240400000000, 0.0002695100000000 ] - [ 0.0005003200000000, 0.0000000000000000, -0.0018839800000000 ] - [ 0.0002533200000000, 0.0000401400000000, -0.0016509900000000 ] - [ 0.0002533200000000, -0.0000401400000000, -0.0016509900000000 ] - [ 0.0019583000000000, 0.0000000000000000, -0.0085037200000000 ] - [ 0.0026900100000000, -0.0004220100000000, -0.0006114100000000 ] - [ 0.0026900100000000, 0.0004220100000000, -0.0006114100000000 ] - [ -0.0197852200000000, 0.0000000000000000, -0.0136162800000000 ] - [ -0.0010484900000000, 0.0002431000000000, -0.0009873000000000 ] - [ -0.0010484900000000, -0.0002431000000000, -0.0009873000000000 ] - [ 0.0035087600000000, 0.0000000000000000, -0.0008199300000000 ] - [ 0.0016207300000000, -0.0001964500000000, -0.0001703200000000 ] - [ 0.0016207300000000, 0.0001964500000000, -0.0001703200000000 ] - [ -0.0209046400000000, 0.0000000000000000, 0.0195955100000000 ] - [ -0.0000272500000000, -0.0002678900000000, 0.0007262100000000 ] - [ -0.0000272500000000, 0.0002678900000000, 0.0007262100000000 ] - [ -0.0947032700000000, 0.0000000000000000, -0.0163622800000000 ] - [ 0.0024308500000000, -0.0001657700000000, -0.0001874600000000 ] - [ 0.0024308500000000, 0.0001657700000000, -0.0001874600000000 ] - [ 0.0151772000000000, 0.0000000000000000, -0.0046525400000000 ] - [ 0.0002897600000000, -0.0001060100000000, -0.0016488700000000 ] - [ 0.0002897600000000, 0.0001060100000000, -0.0016488700000000 ] - [ 0.0045503600000000, 0.0000000000000000, -0.0004691200000000 ] - [ 0.0025510400000000, 0.0006748100000000, -0.0003320200000000 ] - [ 0.0025510400000000, -0.0006748100000000, -0.0003320200000000 ] - [ -0.0002908800000000, 0.0000000000000000, 0.0007687400000000 ] - [ 0.0021398100000000, 0.0000687000000000, 0.0006012800000000 ] - [ 0.0021398100000000, -0.0000687000000000, 0.0006012800000000 ] - [ 0.0055385400000000, -0.0000587900000000, -0.0036428600000000 ] - [ 0.0055385400000000, 0.0000587900000000, -0.0036428600000000 ] - [ 0.0055460000000000, 0.0000000000000000, -0.0035960500000000 ] - [ 0.0057980200000000, -0.0000894300000000, -0.0033627000000000 ] - [ 0.0057980200000000, 0.0000894300000000, -0.0033627000000000 ] - [ 0.0048662700000000, 0.0000000000000000, -0.0034024600000000 ] - [ 0.0049669600000000, 0.0001454700000000, -0.0028711300000000 ] - [ 0.0049669600000000, -0.0001454700000000, -0.0028711300000000 ] - [ 0.0049658300000000, 0.0000000000000000, -0.0028115500000000 ] - [ 0.0251499000000000, 0.0022718100000000, -0.0017048000000000 ] - [ 0.0251499000000000, -0.0022718100000000, -0.0017048000000000 ] - [ 0.0074395600000000, 0.0000000000000000, -0.0004911100000000 ] - [ 0.0047135200000000, -0.0001691500000000, -0.0046342800000000 ] - [ 0.0047135200000000, 0.0001691500000000, -0.0046342800000000 ] - [ 0.0046969900000000, 0.0000000000000000, -0.0045566500000000 ] - [ 0.0041327300000000, -0.0018859800000000, -0.0048468500000000 ] - [ 0.0041327300000000, 0.0018859800000000, -0.0048468500000000 ] - [ 0.0049610900000000, 0.0000000000000000, -0.0040372400000000 ] - [ -0.0091906100000000, -0.0107199100000000, 0.0044152700000000 ] - [ -0.0091906100000000, 0.0107199100000000, 0.0044152700000000 ] - [ 0.0061042800000000, 0.0000000000000000, 0.0045612500000000 ] - [ 0.0006189100000000, -0.0001518200000000, 0.0002861400000000 ] - [ 0.0006189100000000, 0.0001518200000000, 0.0002861400000000 ] - [ 0.0005016400000000, 0.0000000000000000, 0.0001748400000000 ] - [ -0.0002848200000000, -0.0000035200000000, 0.0003689600000000 ] - [ -0.0002848200000000, 0.0000035200000000, 0.0003689600000000 ] - [ -0.0002976300000000, 0.0000000000000000, 0.0003031400000000 ] - [ -0.0001266900000000, 0.0001265300000000, -0.0000761100000000 ] - [ -0.0001266900000000, -0.0001265300000000, -0.0000761100000000 ] - [ -0.0002792700000000, 0.0000000000000000, -0.0001683800000000 ] - [ -0.0000470800000000, -0.0000032300000000, 0.0003511300000000 ] - [ -0.0000470800000000, 0.0000032300000000, 0.0003511300000000 ] - [ -0.0000376600000000, 0.0000000000000000, 0.0002854600000000 ] - [ -0.0008239500000000, 0.0001956700000000, 0.0004678700000000 ] - [ -0.0008239500000000, -0.0001956700000000, 0.0004678700000000 ] - [ -0.0006951500000000, 0.0000000000000000, 0.0002839900000000 ] - [ -0.0023749700000000, -0.0126701900000000, -0.0136632600000000 ] - [ -0.0023749700000000, 0.0126701900000000, -0.0136632600000000 ] - [ 0.0002656900000000, 0.0000000000000000, -0.0001046700000000 ] - [ -0.0072519400000000, 0.0141650200000000, 0.0140931200000000 ] - [ -0.0072519400000000, -0.0141650200000000, 0.0140931200000000 ] - [ -0.0007971900000000, 0.0000000000000000, -0.0003309400000000 ] - [ 0.2835359600000000, 0.0000000000000000, -0.0112762400000000 ] - [ -0.0065052800000000, -0.0001962100000000, -0.0045450500000000 ] - [ -0.0065052800000000, 0.0001962100000000, -0.0045450500000000 ] - [ -0.0144722000000000, 0.0000000000000000, 0.0054500200000000 ] - [ -0.0116753500000000, 0.0002759000000000, 0.0049369800000000 ] - [ -0.0116753500000000, -0.0002759000000000, 0.0049369800000000 ] - [ 0.0029012400000000, 0.0000000000000000, 0.0227505000000000 ] - [ -0.0029489500000000, 0.0019197000000000, 0.0079945800000000 ] - [ -0.0029489500000000, -0.0019197000000000, 0.0079945800000000 ] - [ -0.0057915600000000, 0.0000000000000000, 0.0059409700000000 ] - [ -0.0059290400000000, 0.0001029800000000, 0.0053601600000000 ] - [ -0.0059290400000000, -0.0001029800000000, 0.0053601600000000 ] - [ -0.0063143500000000, 0.0000000000000000, 0.0073044800000000 ] - [ -0.0063603500000000, -0.0001238500000000, 0.0065223800000000 ] - [ -0.0063603500000000, 0.0001238500000000, 0.0065223800000000 ] - [ -0.0074505200000000, 0.0000000000000000, 0.0054272200000000 ] - [ -0.0075258800000000, -0.0000579500000000, 0.0052094500000000 ] - [ -0.0075258800000000, 0.0000579500000000, 0.0052094500000000 ] - [ -0.0068824400000000, 0.0000000000000000, 0.0050482300000000 ] - [ -0.0068034300000000, 0.0001132800000000, 0.0044096100000000 ] - [ -0.0068034300000000, -0.0001132800000000, 0.0044096100000000 ] - [ -0.0087985300000000, 0.0000000000000000, 0.0029793600000000 ] - [ -0.0080011400000000, -0.0001116900000000, 0.0044048700000000 ] - [ -0.0080011400000000, 0.0001116900000000, 0.0044048700000000 ] - [ -0.1765385000000000, 0.0000000000000000, 0.0166431500000000 ] - [ -0.0101591900000000, 0.0007321500000000, 0.0019141700000000 ] - [ -0.0101591900000000, -0.0007321500000000, 0.0019141700000000 ] - [ -0.0048121500000000, 0.0000000000000000, 0.0139205700000000 ] - [ -0.0060617900000000, -0.0011230300000000, 0.0053147700000000 ] - [ -0.0060617900000000, 0.0011230300000000, 0.0053147700000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004582100000000, -0.0003167400000000, -0.0003844700000000 ] - [ -0.0006106700000000, -0.0003178600000000, 0.0002507300000000 ] - [ -0.0005348400000000, 0.0006292800000000, -0.0000652600000000 ] - [ 0.0084250600000000, 0.0006454300000000, -0.0073096200000000 ] - [ -0.0087818900000000, 0.0006405300000000, 0.0075062900000000 ] - [ -0.0001346000000000, 0.0033324500000000, 0.0000585400000000 ] - [ -0.0072118400000000, -0.0000734300000000, -0.0056213800000000 ] - [ 0.0069701000000000, -0.0000903300000000, 0.0062870300000000 ] - [ -0.0001544100000000, 0.0034171000000000, 0.0003156500000000 ] - [ 0.0045342700000000, 0.0004438800000000, -0.0035847700000000 ] - [ 0.0044410000000000, 0.0004465600000000, -0.0038128300000000 ] - [ 0.0044871800000000, -0.0008908300000000, -0.0036996000000000 ] - [ 0.0097168500000000, 0.0020920800000000, -0.0028619600000000 ] - [ 0.0095566500000000, 0.0021071900000000, -0.0040266100000000 ] - [ 0.0096362700000000, -0.0041890300000000, -0.0034455200000000 ] - [ 0.0014817600000000, 0.0042433000000000, -0.0056685700000000 ] - [ 0.0012842900000000, 0.0043293800000000, -0.0087255200000000 ] - [ 0.0013781200000000, -0.0094430500000000, -0.0072210600000000 ] - [ -0.0006466500000000, 0.0002186500000000, -0.0012984000000000 ] - [ -0.0006355200000000, -0.0001104200000000, -0.0012840800000000 ] - [ -0.0006579100000000, -0.0001105900000000, -0.0013150300000000 ] - [ 0.0019722900000000, 0.0002035500000000, 0.0002580600000000 ] - [ 0.0020266100000000, -0.0000978600000000, -0.0000037600000000 ] - [ 0.0019107400000000, -0.0000982000000000, 0.0005177800000000 ] - [ -0.0003139700000000, 0.0009734300000000, -0.0019836700000000 ] - [ -0.0005188500000000, -0.0007526000000000, -0.0053739500000000 ] - [ -0.0001182900000000, -0.0007643100000000, 0.0014270200000000 ] - [ 0.0019466700000000, 0.0002670000000000, 0.0000568100000000 ] - [ 0.0018283700000000, -0.0001263300000000, -0.0002638000000000 ] - [ 0.0020683800000000, -0.0001266500000000, 0.0003752600000000 ] - [ -0.0000488600000000, 0.0005876600000000, -0.0013215900000000 ] - [ 0.0000291600000000, -0.0002932200000000, -0.0031706000000000 ] - [ -0.0001280800000000, -0.0002950200000000, 0.0005144600000000 ] - [ 0.0022813200000000, 0.0002913600000000, -0.0000904800000000 ] - [ 0.0023298800000000, -0.0001376400000000, 0.0002082000000000 ] - [ 0.0022278200000000, -0.0001372700000000, -0.0003904700000000 ] - [ 0.0003459800000000, 0.0001033400000000, -0.0012293200000000 ] - [ 0.0004087700000000, -0.0001791700000000, -0.0012322400000000 ] - [ 0.0002782400000000, -0.0001794600000000, -0.0012302600000000 ] - [ -0.0004944200000000, 0.0039994500000000, -0.0019616800000000 ] - [ -0.0007069700000000, -0.0019086200000000, 0.0017556800000000 ] - [ -0.0003027300000000, -0.0019153600000000, -0.0056486400000000 ] - [ 0.0024765900000000, 0.0025930300000000, 0.0005356400000000 ] - [ 0.0035244600000000, -0.0012836500000000, 0.0024394800000000 ] - [ 0.0014398200000000, -0.0012849500000000, -0.0013514200000000 ] - [ -0.0004745300000000, 0.0010310100000000, -0.0011338800000000 ] - [ -0.0003026900000000, -0.0007756700000000, 0.0016372100000000 ] - [ -0.0006529200000000, -0.0007829300000000, -0.0039554900000000 ] - [ 0.0026056800000000, 0.0002859800000000, 0.0004430800000000 ] - [ 0.0025630600000000, -0.0001428500000000, 0.0007115800000000 ] - [ 0.0026494700000000, -0.0001426300000000, 0.0001740900000000 ] - [ 0.0001320800000000, 0.0007863700000000, -0.0015091600000000 ] - [ 0.0001145500000000, -0.0003968900000000, 0.0002903400000000 ] - [ 0.0001495700000000, -0.0003968300000000, -0.0033027400000000 ] - [ 0.0034247300000000, 0.0187924800000000, -0.0002875300000000 ] - [ 0.0196004300000000, -0.0115678300000000, 0.0013656300000000 ] - [ -0.0136615200000000, -0.0115134500000000, -0.0020619200000000 ] - [ -0.0003077700000000, 0.0206126400000000, -0.0008481300000000 ] - [ -0.0007220300000000, -0.0128481000000000, 0.0171973900000000 ] - [ 0.0001585800000000, -0.0127836400000000, -0.0200247900000000 ] - [ 0.0014138500000000, 0.0011545000000000, -0.0001790100000000 ] - [ 0.0026644500000000, -0.0005094200000000, -0.0018592500000000 ] - [ 0.0001665100000000, -0.0005132900000000, 0.0014882300000000 ] - [ 0.0005279600000000, 0.0161133200000000, -0.0009758300000000 ] - [ 0.0012771900000000, -0.0103906400000000, -0.0201068000000000 ] - [ -0.0004423300000000, -0.0103233000000000, 0.0191624600000000 ] - [ 0.0017610900000000, 0.0229983100000000, -0.0002091100000000 ] - [ -0.0136251100000000, -0.0123185200000000, 0.0000673900000000 ] - [ 0.0183371600000000, -0.0122680000000000, -0.0003979000000000 ] - [ -0.0001246000000000, 0.0023045300000000, -0.0020533300000000 ] - [ 0.0000624400000000, -0.0010964600000000, -0.0060529000000000 ] - [ -0.0003090000000000, -0.0011007900000000, 0.0019177000000000 ] - [ 0.0024349800000000, 0.0021787500000000, 0.0001837400000000 ] - [ 0.0014674300000000, -0.0010396000000000, 0.0022314700000000 ] - [ 0.0033973800000000, -0.0010415600000000, -0.0018523500000000 ] - [ 0.0024250300000000, 0.0015093700000000, 0.0002727700000000 ] - [ 0.0011130600000000, -0.0007779500000000, -0.0016945800000000 ] - [ 0.0037152300000000, -0.0007822800000000, 0.0022082400000000 ] - [ 0.0055457100000000, 0.0004329900000000, -0.0036307100000000 ] - [ 0.0055085800000000, 0.0004332800000000, -0.0033026000000000 ] - [ 0.0055271000000000, -0.0008696900000000, -0.0034664100000000 ] - [ 0.0047879400000000, 0.0018891800000000, -0.0055188900000000 ] - [ 0.0045122900000000, 0.0018916800000000, -0.0012857400000000 ] - [ 0.0046504100000000, -0.0037742500000000, -0.0034052300000000 ] - [ 0.0049355600000000, 0.0004776800000000, -0.0024377600000000 ] - [ 0.0049574700000000, 0.0004762300000000, -0.0027182700000000 ] - [ 0.0049464600000000, -0.0011448800000000, -0.0025779500000000 ] - [ 0.0075704100000000, 0.0070103400000000, -0.0005838700000000 ] - [ 0.0063130200000000, 0.0071239700000000, -0.0007736200000000 ] - [ 0.0069297900000000, -0.0162017000000000, -0.0006727600000000 ] - [ 0.0047340500000000, 0.0004350100000000, -0.0045056000000000 ] - [ 0.0047047100000000, 0.0004299800000000, -0.0041612900000000 ] - [ 0.0047196100000000, -0.0010464500000000, -0.0043346900000000 ] - [ 0.0053410500000000, 0.0034857900000000, -0.0066044800000000 ] - [ 0.0050582600000000, 0.0035241700000000, -0.0014263000000000 ] - [ 0.0052010900000000, -0.0082483700000000, -0.0039946700000000 ] - [ 0.0119275200000000, 0.0657401200000000, 0.0064052500000000 ] - [ 0.0014400200000000, 0.0747853200000000, 0.0019283600000000 ] - [ 0.0068718900000000, -0.0427756400000000, 0.0043567500000000 ] - [ 0.0002230200000000, -0.0006713300000000, -0.0005553700000000 ] - [ 0.0006355400000000, -0.0006735800000000, 0.0007659600000000 ] - [ 0.0004302700000000, 0.0013567800000000, 0.0001092600000000 ] - [ -0.0002928900000000, -0.0002123200000000, 0.0000838200000000 ] - [ -0.0003125500000000, -0.0002104300000000, 0.0000915500000000 ] - [ -0.0003018000000000, 0.0004284400000000, 0.0000881900000000 ] - [ -0.0003101500000000, -0.0006408600000000, 0.0005920500000000 ] - [ -0.0004782900000000, -0.0006385300000000, -0.0009306900000000 ] - [ -0.0003950100000000, 0.0012781900000000, -0.0001712200000000 ] - [ -0.0000430700000000, -0.0002145000000000, 0.0000423000000000 ] - [ -0.0000285000000000, -0.0002150400000000, 0.0000523600000000 ] - [ -0.0000362400000000, 0.0004302400000000, 0.0000476400000000 ] - [ -0.0006453900000000, -0.0006890000000000, 0.0008174500000000 ] - [ -0.0005195000000000, -0.0006876500000000, -0.0007388500000000 ] - [ -0.0005822700000000, 0.0013666100000000, 0.0000368800000000 ] - [ 0.0142047500000000, 0.0001083400000000, 0.0158610500000000 ] - [ -0.0141580300000000, 0.0001038800000000, -0.0159516000000000 ] - [ 0.0000860000000000, 0.0070912800000000, 0.0000225100000000 ] - [ -0.0151284000000000, 0.0001990400000000, 0.0146588100000000 ] - [ 0.0140509500000000, 0.0001772500000000, -0.0150939600000000 ] - [ -0.0006018400000000, 0.0075625500000000, -0.0001673400000000 ] - [ -0.0090262800000000, -0.3334336300000000, -0.0028195500000000 ] - [ -0.0095912400000000, 0.1161271100000000, -0.0027671100000000 ] - [ -0.0092928800000000, 0.1154755100000000, -0.0038203500000000 ] - [ -0.0111873100000000, -0.0044632100000000, 0.0051732600000000 ] - [ -0.0116823700000000, 0.0022075700000000, 0.0100984500000000 ] - [ -0.0106825300000000, 0.0022190000000000, 0.0002883100000000 ] - [ -0.0034842100000000, -0.0092731200000000, 0.0083631000000000 ] - [ -0.0012071500000000, 0.0048653400000000, 0.0254609600000000 ] - [ -0.0057124400000000, 0.0049269000000000, -0.0084122900000000 ] - [ -0.0059715600000000, -0.0007379900000000, 0.0049095500000000 ] - [ -0.0058873900000000, 0.0003686200000000, 0.0058674700000000 ] - [ -0.0060499700000000, 0.0003721500000000, 0.0039634500000000 ] - [ -0.0063977300000000, -0.0006439700000000, 0.0057576200000000 ] - [ -0.0064178900000000, 0.0004969400000000, 0.0045659000000000 ] - [ -0.0063721100000000, 0.0004953100000000, 0.0069624100000000 ] - [ -0.0075227200000000, -0.0007573000000000, 0.0047700000000000 ] - [ -0.0075619200000000, 0.0003823200000000, 0.0038122200000000 ] - [ -0.0074832400000000, 0.0003806100000000, 0.0057308000000000 ] - [ -0.0067591100000000, -0.0006444000000000, 0.0036347500000000 ] - [ -0.0068298900000000, 0.0005152700000000, 0.0050777800000000 ] - [ -0.0066843000000000, 0.0005123200000000, 0.0021882500000000 ] - [ -0.0069555700000000, -0.0051075300000000, 0.0044878400000000 ] - [ -0.0069464600000000, 0.0025866600000000, 0.0005880900000000 ] - [ -0.0069669100000000, 0.0025840300000000, 0.0083667400000000 ] - [ -0.0088112100000000, -0.0151425700000000, 0.0025269900000000 ] - [ -0.0097465800000000, 0.0076086400000000, 0.0023282700000000 ] - [ -0.0078262000000000, 0.0076996600000000, 0.0026892400000000 ] - [ -0.0070077100000000, -0.0075721500000000, 0.0051954000000000 ] - [ -0.0076622900000000, 0.0039499700000000, -0.0078773700000000 ] - [ -0.0063397200000000, 0.0039811200000000, 0.0181627700000000 ]- atom: 121 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0013287000000000, -0.0013103000000000, 0.0021998200000000 ] - [ -0.0013287000000000, 0.0013103000000000, 0.0021998200000000 ] - [ -0.0008082200000000, 0.0000000000000000, 0.0009283200000000 ] - [ -0.0080830000000000, -0.0084885300000000, -0.0024102900000000 ] - [ -0.0080830000000000, 0.0084885300000000, -0.0024102900000000 ] - [ -0.0003841900000000, 0.0000000000000000, -0.0016484600000000 ] - [ 0.0060856800000000, -0.0062360700000000, -0.0012954400000000 ] - [ 0.0060856800000000, 0.0062360700000000, -0.0012954400000000 ] - [ 0.0000336800000000, 0.0000000000000000, -0.0016012600000000 ] - [ 0.0041112000000000, 0.0012612600000000, -0.0063149000000000 ] - [ 0.0041112000000000, -0.0012612600000000, -0.0063149000000000 ] - [ 0.0043140800000000, 0.0000000000000000, -0.0056668700000000 ] - [ 0.0091873300000000, 0.0060073300000000, -0.0035348400000000 ] - [ 0.0091873300000000, -0.0060073300000000, -0.0035348400000000 ] - [ 0.0094999500000000, 0.0000000000000000, -0.0032248700000000 ] - [ -0.0001105300000000, 0.0229587300000000, -0.0161387300000000 ] - [ -0.0001105300000000, -0.0229587300000000, -0.0161387300000000 ] - [ 0.0014277600000000, 0.0000000000000000, -0.0073233400000000 ] - [ -0.0007237400000000, 0.0000000000000000, -0.0100903600000000 ] - [ -0.0006912100000000, -0.0000398400000000, -0.0073731100000000 ] - [ -0.0006912100000000, 0.0000398400000000, -0.0073731100000000 ] - [ 0.0027559000000000, 0.0000000000000000, -0.0031400200000000 ] - [ 0.0022487900000000, -0.0002896400000000, -0.0015753800000000 ] - [ 0.0022487900000000, 0.0002896400000000, -0.0015753800000000 ] - [ -0.0022644800000000, 0.0000000000000000, -0.0276740700000000 ] - [ -0.0004544600000000, -0.0024172900000000, -0.0084452300000000 ] - [ -0.0004544600000000, 0.0024172900000000, -0.0084452300000000 ] - [ 0.0006937500000000, 0.0000000000000000, -0.0041899600000000 ] - [ 0.0014645200000000, -0.0003886200000000, -0.0022705500000000 ] - [ 0.0014645200000000, 0.0003886200000000, -0.0022705500000000 ] - [ -0.0009906400000000, 0.0000000000000000, -0.0108722700000000 ] - [ -0.0006909700000000, -0.0008075400000000, -0.0046371200000000 ] - [ -0.0006909700000000, 0.0008075400000000, -0.0046371200000000 ] - [ 0.0015125600000000, 0.0000000000000000, -0.0038180500000000 ] - [ 0.0018627300000000, 0.0003237000000000, -0.0022744000000000 ] - [ 0.0018627300000000, -0.0003237000000000, -0.0022744000000000 ] - [ 0.0001886300000000, 0.0000000000000000, -0.0126431800000000 ] - [ 0.0002672200000000, -0.0000636400000000, -0.0085384900000000 ] - [ 0.0002672200000000, 0.0000636400000000, -0.0085384900000000 ] - [ 0.0000019500000000, 0.0000000000000000, 0.0090018500000000 ] - [ 0.0004038200000000, 0.0020344900000000, 0.0037805500000000 ] - [ 0.0004038200000000, -0.0020344900000000, 0.0037805500000000 ] - [ -0.0104531300000000, 0.0000000000000000, -0.0072897900000000 ] - [ 0.0011239500000000, 0.0019209400000000, 0.0005458900000000 ] - [ 0.0011239500000000, -0.0019209400000000, 0.0005458900000000 ] - [ -0.0013084100000000, 0.0000000000000000, -0.0202586000000000 ] - [ -0.0004645900000000, 0.0019700800000000, -0.0071766300000000 ] - [ -0.0004645900000000, -0.0019700800000000, -0.0071766300000000 ] - [ 0.0029803400000000, 0.0000000000000000, -0.0031169200000000 ] - [ 0.0027471000000000, 0.0003309300000000, -0.0017574100000000 ] - [ 0.0027471000000000, -0.0003309300000000, -0.0017574100000000 ] - [ 0.0008057100000000, 0.0000000000000000, -0.0102024700000000 ] - [ 0.0002272300000000, 0.0006848100000000, -0.0052099700000000 ] - [ 0.0002272300000000, -0.0006848100000000, -0.0052099700000000 ] - [ 0.0084528700000000, 0.0000000000000000, 0.0225494500000000 ] - [ 0.0032580400000000, 0.0005479700000000, 0.0032976800000000 ] - [ 0.0032580400000000, -0.0005479700000000, 0.0032976800000000 ] - [ -0.0046477400000000, 0.0000000000000000, 0.0641426800000000 ] - [ -0.0004980000000000, 0.0021104800000000, 0.0067598400000000 ] - [ -0.0004980000000000, -0.0021104800000000, 0.0067598400000000 ] - [ 0.0178078800000000, 0.0000000000000000, -0.0083566100000000 ] - [ 0.0035617400000000, -0.0018098100000000, 0.0000592300000000 ] - [ 0.0035617400000000, 0.0018098100000000, 0.0000592300000000 ] - [ -0.0277158500000000, 0.0000000000000000, 0.0723717400000000 ] - [ -0.0001526200000000, -0.0017617800000000, 0.0110781500000000 ] - [ -0.0001526200000000, 0.0017617800000000, 0.0110781500000000 ] - [ 0.0011214700000000, 0.0000000000000000, 0.0270168600000000 ] - [ 0.0020787500000000, 0.0002744900000000, 0.0030000300000000 ] - [ 0.0020787500000000, -0.0002744900000000, 0.0030000300000000 ] - [ 0.0003973600000000, 0.0000000000000000, 0.0123638300000000 ] - [ 0.0000337100000000, -0.0008456100000000, 0.0058203800000000 ] - [ 0.0000337100000000, 0.0008456100000000, 0.0058203800000000 ] - [ 0.0155951100000000, 0.0000000000000000, -0.0095032800000000 ] - [ 0.0038387400000000, 0.0018583000000000, 0.0001533100000000 ] - [ 0.0038387400000000, -0.0018583000000000, 0.0001533100000000 ] - [ -0.0151062800000000, 0.0000000000000000, -0.0078551300000000 ] - [ 0.0002995600000000, -0.0020813700000000, 0.0006380700000000 ] - [ 0.0002995600000000, 0.0020813700000000, 0.0006380700000000 ] - [ 0.0055609900000000, -0.0008303700000000, -0.0061108700000000 ] - [ 0.0055609900000000, 0.0008303700000000, -0.0061108700000000 ] - [ 0.0055155100000000, 0.0000000000000000, -0.0054340900000000 ] - [ 0.0049469300000000, -0.0040062000000000, -0.0039031700000000 ] - [ 0.0049469300000000, 0.0040062000000000, -0.0039031700000000 ] - [ 0.0046199200000000, 0.0000000000000000, -0.0030663200000000 ] - [ 0.0052808900000000, 0.0019618800000000, -0.0061017600000000 ] - [ 0.0052808900000000, -0.0019618800000000, -0.0061017600000000 ] - [ 0.0052148200000000, 0.0000000000000000, -0.0052277300000000 ] - [ 0.0053859200000000, -0.0002180400000000, 0.0044909700000000 ] - [ 0.0053859200000000, 0.0002180400000000, 0.0044909700000000 ] - [ 0.0069356200000000, 0.0000000000000000, 0.0020879600000000 ] - [ 0.0047188900000000, -0.0012763800000000, -0.0076714000000000 ] - [ 0.0047188900000000, 0.0012763800000000, -0.0076714000000000 ] - [ 0.0046826600000000, 0.0000000000000000, -0.0069259000000000 ] - [ 0.0044562000000000, -0.0167184700000000, -0.0128286800000000 ] - [ 0.0044562000000000, 0.0167184700000000, -0.0128286800000000 ] - [ 0.0048716900000000, 0.0000000000000000, -0.0037254200000000 ] - [ 0.0071408000000000, 0.0095912900000000, 0.0235090600000000 ] - [ 0.0071408000000000, -0.0095912900000000, 0.0235090600000000 ] - [ 0.0068055400000000, 0.0000000000000000, 0.0082667700000000 ] - [ 0.0025040100000000, -0.0028350400000000, 0.0045404600000000 ] - [ 0.0025040100000000, 0.0028350400000000, 0.0045404600000000 ] - [ 0.0011622300000000, 0.0000000000000000, 0.0020045200000000 ] - [ -0.0003689300000000, -0.0000747600000000, 0.0036336300000000 ] - [ -0.0003689300000000, 0.0000747600000000, 0.0036336300000000 ] - [ -0.0003535400000000, 0.0000000000000000, 0.0029191600000000 ] - [ 0.0009802500000000, 0.0019828700000000, 0.0037622500000000 ] - [ 0.0009802500000000, -0.0019828700000000, 0.0037622500000000 ] - [ 0.0001117300000000, 0.0000000000000000, 0.0017802100000000 ] - [ 0.0000670400000000, -0.0001218500000000, 0.0038659300000000 ] - [ 0.0000670400000000, 0.0001218500000000, 0.0038659300000000 ] - [ 0.0000444700000000, 0.0000000000000000, 0.0031014000000000 ] - [ -0.0018768800000000, 0.0023855400000000, 0.0043131200000000 ] - [ -0.0018768800000000, -0.0023855400000000, 0.0043131200000000 ] - [ -0.0010585100000000, 0.0000000000000000, 0.0020956200000000 ] - [ 0.0142780700000000, 0.0152709300000000, 0.0001575300000000 ] - [ 0.0142780700000000, -0.0152709300000000, 0.0001575300000000 ] - [ 0.0002108500000000, 0.0000000000000000, -0.0028395200000000 ] - [ -0.0159568500000000, 0.0152822100000000, -0.0013248500000000 ] - [ -0.0159568500000000, -0.0152822100000000, -0.0013248500000000 ] - [ -0.0007781000000000, 0.0000000000000000, -0.0028287600000000 ] - [ -0.0005341400000000, 0.0000000000000000, -0.3138635000000000 ] - [ -0.0081999500000000, -0.0005995000000000, -0.0211086600000000 ] - [ -0.0081999500000000, 0.0005995000000000, -0.0211086600000000 ] - [ -0.0123015900000000, 0.0000000000000000, 0.0037905500000000 ] - [ -0.0108886200000000, 0.0053283100000000, 0.0022431000000000 ] - [ -0.0108886200000000, -0.0053283100000000, 0.0022431000000000 ] - [ 0.0130233900000000, 0.0000000000000000, 0.1150826500000000 ] - [ -0.0039520100000000, 0.0178699100000000, 0.0058946300000000 ] - [ -0.0039520100000000, -0.0178699100000000, 0.0058946300000000 ] - [ -0.0048346000000000, 0.0000000000000000, 0.0163366800000000 ] - [ -0.0053305400000000, 0.0010782300000000, 0.0113153300000000 ] - [ -0.0053305400000000, -0.0010782300000000, 0.0113153300000000 ] - [ -0.0060477600000000, 0.0000000000000000, 0.0212592800000000 ] - [ -0.0061717100000000, -0.0010282600000000, 0.0145947500000000 ] - [ -0.0061717100000000, 0.0010282600000000, 0.0145947500000000 ] - [ -0.0072190400000000, 0.0000000000000000, 0.0162308900000000 ] - [ -0.0073471400000000, -0.0007834700000000, 0.0116722100000000 ] - [ -0.0073471400000000, 0.0007834700000000, 0.0116722100000000 ] - [ -0.0078679200000000, 0.0000000000000000, 0.0218856100000000 ] - [ -0.0073676300000000, 0.0015026600000000, 0.0127685600000000 ] - [ -0.0073676300000000, -0.0015026600000000, 0.0127685600000000 ] - [ -0.0072333900000000, 0.0000000000000000, 0.0052999800000000 ] - [ -0.0068108000000000, -0.0036250000000000, 0.0043598400000000 ] - [ -0.0068108000000000, 0.0036250000000000, 0.0043598400000000 ] - [ 0.0066175600000000, 0.0000000000000000, -0.0225689800000000 ] - [ -0.0092185300000000, -0.0002090500000000, -0.0086481600000000 ] - [ -0.0092185300000000, 0.0002090500000000, -0.0086481600000000 ] - [ -0.0044663100000000, 0.0000000000000000, 0.0805412500000000 ] - [ -0.0073101400000000, -0.0116887100000000, 0.0051449300000000 ] - [ -0.0073101400000000, 0.0116887100000000, 0.0051449300000000 ]- atom: 121 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ 0.0002567600000000, 0.0013084400000000, -0.0023252300000000 ] - [ 0.0002567600000000, -0.0013084400000000, -0.0023252300000000 ] - [ -0.0002610600000000, 0.0000000000000000, -0.0010583800000000 ] - [ 0.0077505900000000, 0.0084099700000000, 0.0025128100000000 ] - [ 0.0077505900000000, -0.0084099700000000, 0.0025128100000000 ] - [ 0.0001194300000000, 0.0000000000000000, 0.0017623100000000 ] - [ -0.0063466100000000, 0.0062032800000000, 0.0019013700000000 ] - [ -0.0063466100000000, -0.0062032800000000, 0.0019013700000000 ] - [ -0.0003441200000000, 0.0000000000000000, 0.0022186400000000 ] - [ 0.0048627900000000, -0.0012641700000000, -0.0010863500000000 ] - [ 0.0048627900000000, 0.0012641700000000, -0.0010863500000000 ] - [ 0.0046602200000000, 0.0000000000000000, -0.0017332000000000 ] - [ 0.0100866300000000, -0.0060008900000000, -0.0033576100000000 ] - [ 0.0100866300000000, 0.0060008900000000, -0.0033576100000000 ] - [ 0.0097737600000000, 0.0000000000000000, -0.0036657600000000 ] - [ 0.0028603100000000, -0.0229617700000000, 0.0016406700000000 ] - [ 0.0028603100000000, 0.0229617700000000, 0.0016406700000000 ] - [ 0.0013325300000000, 0.0000000000000000, -0.0070992500000000 ] - [ -0.0005671600000000, 0.0000000000000000, 0.0074831600000000 ] - [ -0.0006020700000000, 0.0000398900000000, 0.0047688500000000 ] - [ -0.0006020700000000, -0.0000398900000000, 0.0047688500000000 ] - [ 0.0011879600000000, 0.0000000000000000, 0.0036498000000000 ] - [ 0.0016902400000000, 0.0002896600000000, 0.0020878200000000 ] - [ 0.0016902400000000, -0.0002896600000000, 0.0020878200000000 ] - [ 0.0016202500000000, 0.0000000000000000, 0.0237581500000000 ] - [ -0.0001835000000000, 0.0024128200000000, 0.0044952100000000 ] - [ -0.0001835000000000, -0.0024128200000000, 0.0044952100000000 ] - [ 0.0032074900000000, 0.0000000000000000, 0.0042980900000000 ] - [ 0.0024334800000000, 0.0003884900000000, 0.0023802600000000 ] - [ 0.0024334800000000, -0.0003884900000000, 0.0023802600000000 ] - [ 0.0008959500000000, 0.0000000000000000, 0.0082145000000000 ] - [ 0.0005910300000000, 0.0008062500000000, 0.0019770700000000 ] - [ 0.0005910300000000, -0.0008062500000000, 0.0019770700000000 ] - [ 0.0030443700000000, 0.0000000000000000, 0.0036332900000000 ] - [ 0.0026946100000000, -0.0003238800000000, 0.0020911800000000 ] - [ 0.0026946100000000, 0.0003238800000000, 0.0020911800000000 ] - [ 0.0004968200000000, 0.0000000000000000, 0.0101726200000000 ] - [ 0.0004197500000000, 0.0000642500000000, 0.0060698000000000 ] - [ 0.0004197500000000, -0.0000642500000000, 0.0060698000000000 ] - [ -0.0009512300000000, 0.0000000000000000, -0.0129558600000000 ] - [ -0.0014193500000000, -0.0020473000000000, -0.0076743600000000 ] - [ -0.0014193500000000, 0.0020473000000000, -0.0076743600000000 ] - [ 0.0154673500000000, 0.0000000000000000, 0.0084180500000000 ] - [ 0.0038379300000000, -0.0019280900000000, 0.0005364000000000 ] - [ 0.0038379300000000, 0.0019280900000000, 0.0005364000000000 ] - [ 0.0003524700000000, 0.0000000000000000, 0.0178775400000000 ] - [ -0.0004913500000000, -0.0019734600000000, 0.0048544400000000 ] - [ -0.0004913500000000, 0.0019734600000000, 0.0048544400000000 ] - [ 0.0022413900000000, 0.0000000000000000, 0.0039997900000000 ] - [ 0.0024673300000000, -0.0003309500000000, 0.0026418500000000 ] - [ 0.0024673300000000, 0.0003309500000000, 0.0026418500000000 ] - [ -0.0005355500000000, 0.0000000000000000, 0.0071766700000000 ] - [ 0.0000369000000000, -0.0006854500000000, 0.0021942900000000 ] - [ 0.0000369000000000, 0.0006854500000000, 0.0021942900000000 ] - [ -0.0016018600000000, 0.0000000000000000, -0.0230473800000000 ] - [ 0.0026096200000000, -0.0005419900000000, -0.0040063200000000 ] - [ 0.0026096200000000, 0.0005419900000000, -0.0040063200000000 ] - [ 0.0045338500000000, 0.0000000000000000, -0.0754605600000000 ] - [ -0.0000652500000000, -0.0020836500000000, -0.0096176600000000 ] - [ -0.0000652500000000, 0.0020836500000000, -0.0096176600000000 ] - [ -0.0149765900000000, 0.0000000000000000, 0.0079491300000000 ] - [ -0.0007325000000000, 0.0018031500000000, -0.0004241700000000 ] - [ -0.0007325000000000, -0.0018031500000000, -0.0004241700000000 ] - [ 0.0266665700000000, 0.0000000000000000, -0.0645180900000000 ] - [ 0.0009867400000000, 0.0017852800000000, -0.0119477300000000 ] - [ 0.0009867400000000, -0.0017852800000000, -0.0119477300000000 ] - [ 0.0024995800000000, 0.0000000000000000, -0.0274102500000000 ] - [ 0.0026339800000000, -0.0002596300000000, -0.0033335000000000 ] - [ 0.0026339800000000, 0.0002596300000000, -0.0033335000000000 ] - [ -0.0006042900000000, 0.0000000000000000, -0.0164479800000000 ] - [ -0.0002825200000000, 0.0008432000000000, -0.0099469800000000 ] - [ -0.0002825200000000, -0.0008432000000000, -0.0099469800000000 ] - [ -0.0106972300000000, 0.0000000000000000, 0.0099274000000000 ] - [ 0.0010287100000000, -0.0018639300000000, 0.0002194900000000 ] - [ 0.0010287100000000, 0.0018639300000000, 0.0002194900000000 ] - [ 0.0199492900000000, 0.0000000000000000, 0.0083275600000000 ] - [ 0.0045310600000000, 0.0020752200000000, -0.0001165100000000 ] - [ 0.0045310600000000, -0.0020752200000000, -0.0001165100000000 ] - [ 0.0054934000000000, 0.0008277300000000, -0.0008228700000000 ] - [ 0.0054934000000000, -0.0008277300000000, -0.0008228700000000 ] - [ 0.0055386400000000, 0.0000000000000000, -0.0015008200000000 ] - [ 0.0043543400000000, 0.0040089300000000, -0.0029056100000000 ] - [ 0.0043543400000000, -0.0040089300000000, -0.0029056100000000 ] - [ 0.0046810000000000, 0.0000000000000000, -0.0037450600000000 ] - [ 0.0046132100000000, -0.0019650100000000, 0.0009404500000000 ] - [ 0.0046132100000000, 0.0019650100000000, 0.0009404500000000 ] - [ 0.0046787300000000, 0.0000000000000000, 0.0000684800000000 ] - [ 0.0084765600000000, 0.0002018600000000, -0.0058445600000000 ] - [ 0.0084765600000000, -0.0002018600000000, -0.0058445600000000 ] - [ 0.0069121300000000, 0.0000000000000000, -0.0034343500000000 ] - [ 0.0047196600000000, 0.0012719600000000, -0.0009980900000000 ] - [ 0.0047196600000000, -0.0012719600000000, -0.0009980900000000 ] - [ 0.0047563000000000, 0.0000000000000000, -0.0017447000000000 ] - [ 0.0059463500000000, 0.0167162200000000, 0.0048853200000000 ] - [ 0.0059463500000000, -0.0167162200000000, 0.0048853200000000 ] - [ 0.0055300500000000, 0.0000000000000000, -0.0042881200000000 ] - [ 0.0066428500000000, -0.0083257600000000, -0.0146674100000000 ] - [ 0.0066428500000000, 0.0083257600000000, -0.0146674100000000 ] - [ 0.0069610100000000, 0.0000000000000000, 0.0004838700000000 ] - [ -0.0016388500000000, 0.0028319700000000, -0.0043146100000000 ] - [ -0.0016388500000000, -0.0028319700000000, -0.0043146100000000 ] - [ -0.0003021600000000, 0.0000000000000000, -0.0017869800000000 ] - [ -0.0002353200000000, 0.0000745100000000, -0.0034557800000000 ] - [ -0.0002353200000000, -0.0000745100000000, -0.0034557800000000 ] - [ -0.0002502400000000, 0.0000000000000000, -0.0027410400000000 ] - [ -0.0017709000000000, -0.0019843700000000, -0.0041106100000000 ] - [ -0.0017709000000000, 0.0019843700000000, -0.0041106100000000 ] - [ -0.0009008700000000, 0.0000000000000000, -0.0021198300000000 ] - [ -0.0001398500000000, 0.0001234200000000, -0.0037689300000000 ] - [ -0.0001398500000000, -0.0001234200000000, -0.0037689300000000 ] - [ -0.0001169800000000, 0.0000000000000000, -0.0030045300000000 ] - [ 0.0007144600000000, -0.0023870100000000, -0.0042430400000000 ] - [ 0.0007144600000000, 0.0023870100000000, -0.0042430400000000 ] - [ -0.0001071500000000, 0.0000000000000000, -0.0020191000000000 ] - [ -0.0142494900000000, -0.0154374100000000, -0.0001352900000000 ] - [ -0.0142494900000000, 0.0154374100000000, -0.0001352900000000 ] - [ -0.0000239500000000, 0.0000000000000000, 0.0028939900000000 ] - [ 0.0148980200000000, -0.0154238500000000, 0.0009979200000000 ] - [ 0.0148980200000000, 0.0154238500000000, 0.0009979200000000 ] - [ -0.0004434400000000, 0.0000000000000000, 0.0025036100000000 ] - [ -0.0167617900000000, 0.0000000000000000, 0.3064728600000000 ] - [ -0.0106839600000000, 0.0004546400000000, 0.0144871600000000 ] - [ -0.0106839600000000, -0.0004546400000000, 0.0144871600000000 ] - [ -0.0100883400000000, 0.0000000000000000, 0.0065782800000000 ] - [ -0.0114764600000000, -0.0053200800000000, 0.0081354500000000 ] - [ -0.0114764600000000, 0.0053200800000000, 0.0081354500000000 ] - [ -0.0199079500000000, 0.0000000000000000, -0.0975622400000000 ] - [ -0.0029768900000000, -0.0178312100000000, 0.0110725700000000 ] - [ -0.0029768900000000, 0.0178312100000000, 0.0110725700000000 ] - [ -0.0071135400000000, 0.0000000000000000, -0.0064986200000000 ] - [ -0.0066069300000000, -0.0010810700000000, -0.0014788000000000 ] - [ -0.0066069300000000, 0.0010810700000000, -0.0014788000000000 ] - [ -0.0067439900000000, 0.0000000000000000, -0.0097077000000000 ] - [ -0.0066187400000000, 0.0010250900000000, -0.0030613200000000 ] - [ -0.0066187400000000, -0.0010250900000000, -0.0030613200000000 ] - [ -0.0078294900000000, 0.0000000000000000, -0.0066815800000000 ] - [ -0.0076990500000000, 0.0007848600000000, -0.0021248300000000 ] - [ -0.0076990500000000, -0.0007848600000000, -0.0021248300000000 ] - [ -0.0056518300000000, 0.0000000000000000, -0.0146098100000000 ] - [ -0.0061478200000000, -0.0015012600000000, -0.0054921400000000 ] - [ -0.0061478200000000, 0.0015012600000000, -0.0054921400000000 ] - [ -0.0067192000000000, 0.0000000000000000, 0.0037019300000000 ] - [ -0.0071025900000000, 0.0036284300000000, 0.0045921400000000 ] - [ -0.0071025900000000, -0.0036284300000000, 0.0045921400000000 ] - [ -0.0243683400000000, 0.0000000000000000, 0.0276184600000000 ] - [ -0.0083145000000000, 0.0002063600000000, 0.0136635300000000 ] - [ -0.0083145000000000, -0.0002063600000000, 0.0136635300000000 ] - [ -0.0095685300000000, 0.0000000000000000, -0.0704955500000000 ] - [ -0.0066879500000000, 0.0117072000000000, 0.0051885300000000 ] - [ -0.0066879500000000, -0.0117072000000000, 0.0051885300000000 ]- atom: 124 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ 0.0007941400000000, -0.0065623100000000, 0.0067256500000000 ] - [ 0.0007941400000000, 0.0065623100000000, 0.0067256500000000 ] - [ -0.0005405300000000, 0.0000000000000000, 0.0000319700000000 ] - [ 0.0018580400000000, -0.0061746100000000, -0.0061671600000000 ] - [ 0.0018580400000000, 0.0061746100000000, -0.0061671600000000 ] - [ -0.0001370500000000, 0.0000000000000000, 0.0001899200000000 ] - [ 0.0003107500000000, 0.0061180900000000, 0.0071977800000000 ] - [ 0.0003107500000000, -0.0061180900000000, 0.0071977800000000 ] - [ -0.0001837300000000, 0.0000000000000000, 0.0004820900000000 ] - [ 0.0051365200000000, -0.0019656200000000, -0.0024925800000000 ] - [ 0.0051365200000000, 0.0019656200000000, -0.0024925800000000 ] - [ 0.0045232000000000, 0.0000000000000000, -0.0035445500000000 ] - [ 0.0259070500000000, 0.0158832500000000, -0.0048467900000000 ] - [ 0.0259070500000000, -0.0158832500000000, -0.0048467900000000 ] - [ 0.0103535300000000, 0.0000000000000000, -0.0039379300000000 ] - [ -0.0172341600000000, -0.0000072400000000, -0.0053609100000000 ] - [ -0.0172341600000000, 0.0000072400000000, -0.0053609100000000 ] - [ 0.0006193000000000, 0.0000000000000000, -0.0073968200000000 ] - [ -0.0005158200000000, 0.0000000000000000, 0.0005717200000000 ] - [ -0.0005998000000000, 0.0002078800000000, -0.0005713900000000 ] - [ -0.0005998000000000, -0.0002078800000000, -0.0005713900000000 ] - [ 0.0041674400000000, 0.0000000000000000, -0.0003700800000000 ] - [ 0.0023032700000000, -0.0001120400000000, 0.0000614500000000 ] - [ 0.0023032700000000, 0.0001120400000000, 0.0000614500000000 ] - [ -0.0196046200000000, 0.0000000000000000, -0.0002205900000000 ] - [ -0.0009062400000000, 0.0001562400000000, -0.0025730600000000 ] - [ -0.0009062400000000, -0.0001562400000000, -0.0025730600000000 ] - [ 0.0002144700000000, 0.0000000000000000, 0.0006710900000000 ] - [ 0.0016263100000000, 0.0004539800000000, 0.0004036100000000 ] - [ 0.0016263100000000, -0.0004539800000000, 0.0004036100000000 ] - [ 0.0171930400000000, 0.0000000000000000, -0.0094416800000000 ] - [ 0.0004810400000000, 0.0007152500000000, -0.0017984400000000 ] - [ 0.0004810400000000, -0.0007152500000000, -0.0017984400000000 ] - [ 0.0023373300000000, 0.0000000000000000, 0.0002134600000000 ] - [ 0.0023350700000000, 0.0000123700000000, 0.0001250700000000 ] - [ 0.0023350700000000, -0.0000123700000000, 0.0001250700000000 ] - [ 0.0000903600000000, 0.0000000000000000, -0.0004400100000000 ] - [ 0.0003194000000000, 0.0000180900000000, -0.0008292700000000 ] - [ 0.0003194000000000, -0.0000180900000000, -0.0008292700000000 ] - [ -0.0002349400000000, 0.0000000000000000, 0.0003707200000000 ] - [ -0.0004734900000000, -0.0002873100000000, -0.0014169700000000 ] - [ -0.0004734900000000, 0.0002873100000000, -0.0014169700000000 ] - [ 0.0023774400000000, 0.0000000000000000, 0.0008543000000000 ] - [ 0.0024530900000000, -0.0000565800000000, 0.0007449200000000 ] - [ 0.0024530900000000, 0.0000565800000000, 0.0007449200000000 ] - [ -0.0004400000000000, 0.0000000000000000, -0.0003228700000000 ] - [ -0.0004743400000000, -0.0000130600000000, -0.0005708300000000 ] - [ -0.0004743400000000, 0.0000130600000000, -0.0005708300000000 ] - [ 0.0026177900000000, 0.0000000000000000, 0.0007332400000000 ] - [ 0.0025747200000000, 0.0000122900000000, 0.0006649400000000 ] - [ 0.0025747200000000, -0.0000122900000000, 0.0006649400000000 ] - [ 0.0001698800000000, 0.0000000000000000, -0.0004168300000000 ] - [ 0.0001389000000000, -0.0000147700000000, -0.0008002400000000 ] - [ 0.0001389000000000, 0.0000147700000000, -0.0008002400000000 ] - [ 0.0009729500000000, 0.0000000000000000, 0.0005919400000000 ] - [ 0.0027593800000000, -0.0002609400000000, -0.0003403700000000 ] - [ 0.0027593800000000, 0.0002609400000000, -0.0003403700000000 ] - [ -0.0006419000000000, 0.0000000000000000, -0.0003095200000000 ] - [ -0.0003168600000000, -0.0001037700000000, -0.0011777400000000 ] - [ -0.0003168600000000, 0.0001037700000000, -0.0011777400000000 ] - [ 0.0876264200000000, 0.0000000000000000, 0.0317057300000000 ] - [ 0.0017325300000000, 0.0004656900000000, -0.0001241900000000 ] - [ 0.0017325300000000, -0.0004656900000000, -0.0001241900000000 ] - [ -0.0164597100000000, 0.0000000000000000, 0.0021833600000000 ] - [ 0.0000525200000000, -0.0002782300000000, -0.0011893100000000 ] - [ 0.0000525200000000, 0.0002782300000000, -0.0011893100000000 ] - [ 0.0024573900000000, 0.0000000000000000, -0.0009104900000000 ] - [ 0.0023942500000000, 0.0000161900000000, -0.0004555400000000 ] - [ 0.0023942500000000, -0.0000161900000000, -0.0004555400000000 ] - [ 0.0200133700000000, 0.0000000000000000, -0.0032278900000000 ] - [ 0.0003052100000000, 0.0001916500000000, -0.0036490700000000 ] - [ 0.0003052100000000, -0.0001916500000000, -0.0036490700000000 ] - [ 0.0025750800000000, 0.0000000000000000, 0.0005103600000000 ] - [ 0.0024797400000000, -0.0000372300000000, 0.0003712600000000 ] - [ 0.0024797400000000, 0.0000372300000000, 0.0003712600000000 ] - [ -0.0107219100000000, 0.0000000000000000, 0.0114882900000000 ] - [ 0.0014398600000000, 0.0002490500000000, 0.0002813400000000 ] - [ 0.0014398600000000, -0.0002490500000000, 0.0002813400000000 ] - [ 0.0055273000000000, -0.0000707700000000, -0.0031542300000000 ] - [ 0.0055273000000000, 0.0000707700000000, -0.0031542300000000 ] - [ 0.0055290400000000, 0.0000000000000000, -0.0031878600000000 ] - [ 0.0046560000000000, 0.0001909000000000, -0.0030777200000000 ] - [ 0.0046560000000000, -0.0001909000000000, -0.0030777200000000 ] - [ 0.0046574900000000, 0.0000000000000000, -0.0031591400000000 ] - [ 0.0043459000000000, -0.0001673900000000, -0.0026078600000000 ] - [ 0.0043459000000000, 0.0001673900000000, -0.0026078600000000 ] - [ 0.0048692400000000, 0.0000000000000000, -0.0025763300000000 ] - [ 0.0075674800000000, 0.0024669500000000, 0.0003507100000000 ] - [ 0.0075674800000000, -0.0024669500000000, 0.0003507100000000 ] - [ 0.0069887800000000, 0.0000000000000000, -0.0008026200000000 ] - [ 0.0047174800000000, -0.0000461200000000, -0.0040897300000000 ] - [ 0.0047174800000000, 0.0000461200000000, -0.0040897300000000 ] - [ 0.0047121200000000, 0.0000000000000000, -0.0041345800000000 ] - [ 0.0051927900000000, 0.0001319400000000, -0.0037535000000000 ] - [ 0.0051927900000000, -0.0001319400000000, -0.0037535000000000 ] - [ 0.0051982200000000, 0.0000000000000000, -0.0038288000000000 ] - [ 0.0064431500000000, 0.0007045600000000, 0.0044990900000000 ] - [ 0.0064431500000000, -0.0007045600000000, 0.0044990900000000 ] - [ 0.0068122800000000, 0.0000000000000000, 0.0043530000000000 ] - [ 0.0055557600000000, 0.0114146400000000, -0.0110743700000000 ] - [ 0.0055557600000000, -0.0114146400000000, -0.0110743700000000 ] - [ 0.0004724600000000, 0.0000000000000000, 0.0002983200000000 ] - [ -0.0004717200000000, 0.0000775400000000, -0.0001012900000000 ] - [ -0.0004717200000000, -0.0000775400000000, -0.0001012900000000 ] - [ -0.0003658800000000, 0.0000000000000000, -0.0000740200000000 ] - [ -0.0003913500000000, -0.0000269900000000, -0.0005162600000000 ] - [ -0.0003913500000000, 0.0000269900000000, -0.0005162600000000 ] - [ -0.0003954200000000, 0.0000000000000000, -0.0004582300000000 ] - [ 0.0001227100000000, 0.0001180400000000, -0.0004330400000000 ] - [ 0.0001227100000000, -0.0001180400000000, -0.0004330400000000 ] - [ 0.0000211600000000, 0.0000000000000000, -0.0002256100000000 ] - [ -0.0005902600000000, -0.0000279300000000, -0.0003094600000000 ] - [ -0.0005902600000000, 0.0000279300000000, -0.0003094600000000 ] - [ -0.0005841700000000, 0.0000000000000000, -0.0002523500000000 ] - [ 0.0002621300000000, -0.0003245400000000, -0.0004994400000000 ] - [ 0.0002621300000000, 0.0003245400000000, -0.0004994400000000 ] - [ 0.0001424700000000, 0.0000000000000000, -0.0001433800000000 ] - [ -0.0008390200000000, -0.0001576400000000, -0.0003783100000000 ] - [ -0.0008390200000000, 0.0001576400000000, -0.0003783100000000 ] - [ -0.0006747000000000, 0.0000000000000000, -0.0002507100000000 ] - [ -0.0061872400000000, 0.0000000000000000, -0.0044493300000000 ] - [ -0.0089436200000000, 0.0004999600000000, -0.0030211400000000 ] - [ -0.0089436200000000, -0.0004999600000000, -0.0030211400000000 ] - [ -0.3000075300000000, 0.0000000000000000, 0.0085419800000000 ] - [ -0.0138101300000000, -0.0032167000000000, 0.0068179700000000 ] - [ -0.0138101300000000, 0.0032167000000000, 0.0068179700000000 ] - [ 0.2030960400000000, 0.0000000000000000, -0.0151697200000000 ] - [ -0.0012875700000000, 0.0009161500000000, 0.0096091200000000 ] - [ -0.0012875700000000, -0.0009161500000000, 0.0096091200000000 ] - [ -0.0099254500000000, 0.0000000000000000, -0.0045408600000000 ] - [ -0.0066140100000000, -0.0011569600000000, 0.0047347200000000 ] - [ -0.0066140100000000, 0.0011569600000000, 0.0047347200000000 ] - [ -0.0064806200000000, 0.0000000000000000, 0.0047439300000000 ] - [ -0.0064008600000000, -0.0000420900000000, 0.0050920500000000 ] - [ -0.0064008600000000, 0.0000420900000000, 0.0050920500000000 ] - [ -0.0075426000000000, 0.0000000000000000, 0.0034250100000000 ] - [ -0.0075547400000000, -0.0000477300000000, 0.0038373000000000 ] - [ -0.0075547400000000, 0.0000477300000000, 0.0038373000000000 ] - [ -0.0048202600000000, 0.0000000000000000, 0.0041915400000000 ] - [ -0.0061909500000000, -0.0000286900000000, 0.0037023500000000 ] - [ -0.0061909500000000, 0.0000286900000000, 0.0037023500000000 ] - [ -0.0069855500000000, 0.0000000000000000, 0.0028848100000000 ] - [ -0.0069602300000000, 0.0001494800000000, 0.0036426200000000 ] - [ -0.0069602300000000, -0.0001494800000000, 0.0036426200000000 ] - [ -0.0116663700000000, 0.0000000000000000, -0.0076940900000000 ] - [ -0.0090195600000000, 0.0016263600000000, 0.0031112700000000 ] - [ -0.0090195600000000, -0.0016263600000000, 0.0031112700000000 ] - [ -0.0070967800000000, 0.0000000000000000, 0.0041537400000000 ] - [ -0.0070113600000000, 0.0001209900000000, 0.0045551900000000 ] - [ -0.0070113600000000, -0.0001209900000000, 0.0045551900000000 ]- atom: 124 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0018593100000000, 0.0064816700000000, -0.0067944900000000 ] - [ -0.0018593100000000, -0.0064816700000000, -0.0067944900000000 ] - [ -0.0005312100000000, 0.0000000000000000, -0.0001690000000000 ] - [ -0.0021424200000000, 0.0061322800000000, 0.0062083900000000 ] - [ -0.0021424200000000, -0.0061322800000000, 0.0062083900000000 ] - [ -0.0001312300000000, 0.0000000000000000, -0.0000764800000000 ] - [ -0.0005785300000000, -0.0062030500000000, -0.0066724600000000 ] - [ -0.0005785300000000, 0.0062030500000000, -0.0066724600000000 ] - [ -0.0001229300000000, 0.0000000000000000, 0.0001339700000000 ] - [ 0.0038303100000000, 0.0019760900000000, -0.0049079800000000 ] - [ 0.0038303100000000, -0.0019760900000000, -0.0049079800000000 ] - [ 0.0044519500000000, 0.0000000000000000, -0.0038509500000000 ] - [ -0.0062116300000000, -0.0149303600000000, -0.0020208500000000 ] - [ -0.0062116300000000, 0.0149303600000000, -0.0020208500000000 ] - [ 0.0089571200000000, 0.0000000000000000, -0.0029410500000000 ] - [ 0.0200996600000000, -0.0000135100000000, -0.0090761100000000 ] - [ 0.0200996600000000, 0.0000135100000000, -0.0090761100000000 ] - [ 0.0021580300000000, 0.0000000000000000, -0.0070308600000000 ] - [ -0.0007612300000000, 0.0000000000000000, -0.0031909200000000 ] - [ -0.0006946200000000, -0.0002096500000000, -0.0020375000000000 ] - [ -0.0006946200000000, 0.0002096500000000, -0.0020375000000000 ] - [ -0.0002020700000000, 0.0000000000000000, 0.0008741000000000 ] - [ 0.0016403600000000, 0.0001072300000000, 0.0004510500000000 ] - [ 0.0016403600000000, -0.0001072300000000, 0.0004510500000000 ] - [ 0.0190842000000000, 0.0000000000000000, -0.0036900400000000 ] - [ 0.0002703400000000, -0.0001709200000000, -0.0013731900000000 ] - [ 0.0002703400000000, 0.0001709200000000, -0.0013731900000000 ] - [ 0.0037235100000000, 0.0000000000000000, -0.0005856000000000 ] - [ 0.0022662800000000, -0.0004623100000000, -0.0002967500000000 ] - [ 0.0022662800000000, 0.0004623100000000, -0.0002967500000000 ] - [ -0.0169319700000000, 0.0000000000000000, 0.0059492800000000 ] - [ -0.0005959900000000, -0.0007096000000000, -0.0008183100000000 ] - [ -0.0005959900000000, 0.0007096000000000, -0.0008183100000000 ] - [ 0.0022233600000000, 0.0000000000000000, -0.0004042200000000 ] - [ 0.0022243800000000, -0.0000129700000000, -0.0003133800000000 ] - [ 0.0022243800000000, 0.0000129700000000, -0.0003133800000000 ] - [ 0.0006031000000000, 0.0000000000000000, -0.0020522600000000 ] - [ 0.0003680900000000, -0.0000205200000000, -0.0016491900000000 ] - [ 0.0003680900000000, 0.0000205200000000, -0.0016491900000000 ] - [ -0.0007717900000000, 0.0000000000000000, -0.0042625500000000 ] - [ -0.0005377500000000, 0.0002914400000000, -0.0024890600000000 ] - [ -0.0005377500000000, -0.0002914400000000, -0.0024890600000000 ] - [ 0.0025856600000000, 0.0000000000000000, 0.0002158800000000 ] - [ 0.0025122500000000, 0.0000576700000000, 0.0003294400000000 ] - [ 0.0025122500000000, -0.0000576700000000, 0.0003294400000000 ] - [ -0.0005142100000000, 0.0000000000000000, -0.0020088200000000 ] - [ -0.0004811900000000, 0.0000130100000000, -0.0017550000000000 ] - [ -0.0004811900000000, -0.0000130100000000, -0.0017550000000000 ] - [ 0.0025960100000000, 0.0000000000000000, 0.0001440800000000 ] - [ 0.0026351700000000, -0.0000127100000000, 0.0002145600000000 ] - [ 0.0026351700000000, 0.0000127100000000, 0.0002145600000000 ] - [ 0.0000999200000000, 0.0000000000000000, -0.0026168200000000 ] - [ 0.0001245200000000, 0.0000149800000000, -0.0022327100000000 ] - [ 0.0001245200000000, -0.0000149800000000, -0.0022327100000000 ] - [ 0.0049707700000000, 0.0000000000000000, -0.0013449200000000 ] - [ 0.0031211400000000, 0.0002631000000000, -0.0003599500000000 ] - [ 0.0031211400000000, -0.0002631000000000, -0.0003599500000000 ] - [ 0.0000927000000000, 0.0000000000000000, -0.0025459600000000 ] - [ -0.0002461700000000, 0.0001044400000000, -0.0016543900000000 ] - [ -0.0002461700000000, -0.0001044400000000, -0.0016543900000000 ] - [ -0.0735237800000000, 0.0000000000000000, -0.0299734900000000 ] - [ 0.0011656000000000, -0.0004403000000000, -0.0002341300000000 ] - [ 0.0011656000000000, 0.0004403000000000, -0.0002341300000000 ] - [ 0.0173830000000000, 0.0000000000000000, -0.0031050500000000 ] - [ 0.0007871100000000, 0.0002692200000000, 0.0002991800000000 ] - [ 0.0007871100000000, -0.0002692200000000, 0.0002991800000000 ] - [ 0.0021768700000000, 0.0000000000000000, 0.0005596900000000 ] - [ 0.0022956900000000, -0.0000160200000000, 0.0001270100000000 ] - [ 0.0022956900000000, 0.0000160200000000, 0.0001270100000000 ] - [ -0.0201612100000000, 0.0000000000000000, 0.0000130400000000 ] - [ -0.0005570000000000, -0.0001719400000000, -0.0004879600000000 ] - [ -0.0005570000000000, 0.0001719400000000, -0.0004879600000000 ] - [ 0.0022917000000000, 0.0000000000000000, -0.0001469700000000 ] - [ 0.0023794400000000, 0.0000380100000000, -0.0000032700000000 ] - [ 0.0023794400000000, -0.0000380100000000, -0.0000032700000000 ] - [ 0.0105720900000000, 0.0000000000000000, -0.0116029200000000 ] - [ 0.0033851500000000, -0.0002454600000000, 0.0002469000000000 ] - [ 0.0033851500000000, 0.0002454600000000, 0.0002469000000000 ] - [ 0.0055264600000000, 0.0000718700000000, -0.0037861700000000 ] - [ 0.0055264600000000, -0.0000718700000000, -0.0037861700000000 ] - [ 0.0055248700000000, 0.0000000000000000, -0.0037512700000000 ] - [ 0.0046434900000000, -0.0001914100000000, -0.0037412900000000 ] - [ 0.0046434900000000, 0.0001914100000000, -0.0037412900000000 ] - [ 0.0046422700000000, 0.0000000000000000, -0.0036595200000000 ] - [ 0.0055482200000000, 0.0001849000000000, -0.0025633200000000 ] - [ 0.0055482200000000, -0.0001849000000000, -0.0025633200000000 ] - [ 0.0050252400000000, 0.0000000000000000, -0.0025843900000000 ] - [ 0.0062721000000000, -0.0025042900000000, -0.0017177100000000 ] - [ 0.0062721000000000, 0.0025042900000000, -0.0017177100000000 ] - [ 0.0068548500000000, 0.0000000000000000, -0.0005473100000000 ] - [ 0.0047214900000000, 0.0000479300000000, -0.0045840100000000 ] - [ 0.0047214900000000, -0.0000479300000000, -0.0045840100000000 ] - [ 0.0047272000000000, 0.0000000000000000, -0.0045382300000000 ] - [ 0.0052115000000000, -0.0001353500000000, -0.0042503000000000 ] - [ 0.0052115000000000, 0.0001353500000000, -0.0042503000000000 ] - [ 0.0052061400000000, 0.0000000000000000, -0.0041729000000000 ] - [ 0.0073139200000000, -0.0007092700000000, 0.0042458200000000 ] - [ 0.0073139200000000, 0.0007092700000000, 0.0042458200000000 ] - [ 0.0069426200000000, 0.0000000000000000, 0.0043837600000000 ] - [ -0.0046958600000000, -0.0115872000000000, 0.0114431900000000 ] - [ -0.0046958600000000, 0.0115872000000000, 0.0114431900000000 ] - [ 0.0003952800000000, 0.0000000000000000, -0.0000914900000000 ] - [ -0.0001352200000000, -0.0000835900000000, 0.0002891100000000 ] - [ -0.0001352200000000, 0.0000835900000000, 0.0002891100000000 ] - [ -0.0002406900000000, 0.0000000000000000, 0.0002564500000000 ] - [ -0.0004006300000000, 0.0000271000000000, 0.0001856400000000 ] - [ -0.0004006300000000, -0.0000271000000000, 0.0001856400000000 ] - [ -0.0003972900000000, 0.0000000000000000, 0.0001263600000000 ] - [ -0.0001927100000000, -0.0001215600000000, 0.0005402800000000 ] - [ -0.0001927100000000, 0.0001215600000000, 0.0005402800000000 ] - [ -0.0000913100000000, 0.0000000000000000, 0.0003280300000000 ] - [ -0.0005720400000000, 0.0000284200000000, 0.0003965600000000 ] - [ -0.0005720400000000, -0.0000284200000000, 0.0003965600000000 ] - [ -0.0005779500000000, 0.0000000000000000, 0.0003365700000000 ] - [ -0.0000845700000000, 0.0003330300000000, 0.0005677900000000 ] - [ -0.0000845700000000, -0.0003330300000000, 0.0005677900000000 ] - [ 0.0000350800000000, 0.0000000000000000, 0.0002056400000000 ] - [ -0.0003731200000000, 0.0001618400000000, 0.0000595900000000 ] - [ -0.0003731200000000, -0.0001618400000000, 0.0000595900000000 ] - [ -0.0005365800000000, 0.0000000000000000, -0.0000698100000000 ] - [ -0.0127424100000000, 0.0000000000000000, -0.0022396500000000 ] - [ -0.0099328400000000, -0.0004996900000000, -0.0036094300000000 ] - [ -0.0099328400000000, 0.0004996900000000, -0.0036094300000000 ] - [ 0.2706588300000000, 0.0000000000000000, -0.0001213500000000 ] - [ -0.0085501900000000, 0.0030437000000000, 0.0035279900000000 ] - [ -0.0085501900000000, -0.0030437000000000, 0.0035279900000000 ] - [ -0.2112758900000000, 0.0000000000000000, 0.0322822000000000 ] - [ -0.0056826800000000, -0.0008425000000000, 0.0073593400000000 ] - [ -0.0056826800000000, 0.0008425000000000, 0.0073593400000000 ] - [ -0.0019864200000000, 0.0000000000000000, 0.0144000800000000 ] - [ -0.0053249600000000, 0.0011686300000000, 0.0050835900000000 ] - [ -0.0053249600000000, -0.0011686300000000, 0.0050835900000000 ] - [ -0.0063120200000000, 0.0000000000000000, 0.0068143600000000 ] - [ -0.0063884500000000, 0.0000421900000000, 0.0064518600000000 ] - [ -0.0063884500000000, -0.0000421900000000, 0.0064518600000000 ] - [ -0.0075063700000000, 0.0000000000000000, 0.0061413900000000 ] - [ -0.0074910800000000, 0.0000515000000000, 0.0057264600000000 ] - [ -0.0074910800000000, -0.0000515000000000, 0.0057264600000000 ] - [ -0.0087123400000000, 0.0000000000000000, 0.0031267000000000 ] - [ -0.0073247500000000, 0.0000471800000000, 0.0035777400000000 ] - [ -0.0073247500000000, -0.0000471800000000, 0.0035777400000000 ] - [ -0.0069307600000000, 0.0000000000000000, 0.0060985200000000 ] - [ -0.0069501300000000, -0.0001513000000000, 0.0053368600000000 ] - [ -0.0069501300000000, 0.0001513000000000, 0.0053368600000000 ] - [ -0.0058175300000000, 0.0000000000000000, 0.0129795900000000 ] - [ -0.0085004900000000, -0.0016483700000000, 0.0019116100000000 ] - [ -0.0085004900000000, 0.0016483700000000, 0.0019116100000000 ] - [ -0.0069046000000000, 0.0000000000000000, 0.0061802300000000 ] - [ -0.0069876200000000, -0.0001231100000000, 0.0057614300000000 ] - [ -0.0069876200000000, 0.0001231100000000, 0.0057614300000000 ]- atom: 124 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0063730900000000, -0.0003604700000000, -0.0065060500000000 ] - [ 0.0053648800000000, -0.0003732900000000, 0.0064209900000000 ] - [ -0.0005326900000000, 0.0033695000000000, -0.0000616900000000 ] - [ -0.0067185100000000, 0.0002566100000000, 0.0079496200000000 ] - [ 0.0065157200000000, 0.0002434500000000, -0.0079165200000000 ] - [ -0.0001292400000000, 0.0036037300000000, 0.0000509700000000 ] - [ 0.0072573400000000, 0.0007732800000000, 0.0098134000000000 ] - [ -0.0076425100000000, 0.0007709400000000, -0.0093060300000000 ] - [ -0.0001577700000000, 0.0035677600000000, 0.0003060300000000 ] - [ 0.0049145700000000, 0.0038139800000000, -0.0014884400000000 ] - [ 0.0040571600000000, 0.0038455600000000, -0.0058955500000000 ] - [ 0.0044866500000000, -0.0084323800000000, -0.0037076200000000 ] - [ 0.0182509200000000, 0.0584954900000000, -0.0063233600000000 ] - [ 0.0003023400000000, 0.0673674900000000, -0.0002375200000000 ] - [ 0.0096269200000000, -0.0453720600000000, -0.0034365600000000 ] - [ 0.0016274100000000, 0.0083480400000000, -0.0074255100000000 ] - [ 0.0011738400000000, 0.0084702900000000, -0.0070003800000000 ] - [ 0.0013850300000000, -0.0186353300000000, -0.0072135800000000 ] - [ -0.0006414800000000, 0.0010503700000000, -0.0013172000000000 ] - [ -0.0004865400000000, -0.0007173000000000, -0.0039259700000000 ] - [ -0.0008072400000000, -0.0007228700000000, 0.0013168800000000 ] - [ 0.0019693000000000, 0.0015772800000000, 0.0002613800000000 ] - [ 0.0006540600000000, -0.0008014200000000, -0.0015331900000000 ] - [ 0.0032858300000000, -0.0008018300000000, 0.0020384700000000 ] - [ -0.0003110700000000, 0.0033691700000000, -0.0019544700000000 ] - [ -0.0004652000000000, -0.0016214700000000, -0.0063499100000000 ] - [ -0.0001676500000000, -0.0016263200000000, 0.0023990200000000 ] - [ 0.0019589600000000, 0.0021904700000000, 0.0000473100000000 ] - [ 0.0029657400000000, -0.0010332700000000, -0.0019498100000000 ] - [ 0.0009336500000000, -0.0010320700000000, 0.0020496900000000 ] - [ 0.0000205200000000, 0.0186541300000000, -0.0018489200000000 ] - [ 0.0014654000000000, -0.0114217700000000, -0.0202615900000000 ] - [ -0.0015603200000000, -0.0113519600000000, 0.0175833300000000 ] - [ 0.0022788400000000, 0.0002718100000000, -0.0000941300000000 ] - [ 0.0021841600000000, -0.0001342500000000, -0.0003460500000000 ] - [ 0.0023745600000000, -0.0001339900000000, 0.0001583600000000 ] - [ 0.0003444100000000, 0.0006843100000000, -0.0012376700000000 ] - [ 0.0003276500000000, -0.0003456900000000, -0.0029453000000000 ] - [ 0.0003600100000000, -0.0003455700000000, 0.0004674400000000 ] - [ -0.0005034400000000, 0.0010097800000000, -0.0019389500000000 ] - [ -0.0002898700000000, -0.0007671300000000, 0.0008042300000000 ] - [ -0.0007215900000000, -0.0007793500000000, -0.0047151300000000 ] - [ 0.0024812900000000, 0.0003074800000000, 0.0005368900000000 ] - [ 0.0024182900000000, -0.0001522700000000, 0.0008116000000000 ] - [ 0.0025485000000000, -0.0001526900000000, 0.0002642500000000 ] - [ -0.0004779900000000, 0.0002172800000000, -0.0011623900000000 ] - [ -0.0004576400000000, -0.0001091900000000, -0.0011310100000000 ] - [ -0.0004976600000000, -0.0001090700000000, -0.0011920400000000 ] - [ 0.0026068600000000, 0.0002791900000000, 0.0004396400000000 ] - [ 0.0026273500000000, -0.0001354400000000, 0.0002170800000000 ] - [ 0.0025821100000000, -0.0001352700000000, 0.0006629000000000 ] - [ 0.0001341400000000, 0.0001394200000000, -0.0015159400000000 ] - [ 0.0001799700000000, -0.0001750100000000, -0.0014870100000000 ] - [ 0.0000835900000000, -0.0001753700000000, -0.0015453200000000 ] - [ 0.0029426600000000, 0.0013312500000000, -0.0003571400000000 ] - [ 0.0018106000000000, -0.0005723800000000, 0.0017149000000000 ] - [ 0.0040692800000000, -0.0005760500000000, -0.0024088100000000 ] - [ -0.0002813100000000, 0.0006354200000000, -0.0014246500000000 ] - [ -0.0003557900000000, -0.0003189000000000, 0.0004953700000000 ] - [ -0.0002071400000000, -0.0003209100000000, -0.0033252900000000 ] - [ 0.0009128400000000, 0.0198848200000000, -0.0002680900000000 ] - [ -0.0159620600000000, -0.0109313000000000, -0.0014269500000000 ] - [ 0.0188017700000000, -0.0108795700000000, 0.0010693400000000 ] - [ 0.0004349300000000, 0.0020988600000000, -0.0004667700000000 ] - [ -0.0003301300000000, -0.0010438800000000, 0.0040574700000000 ] - [ 0.0011662600000000, -0.0010480100000000, -0.0049490000000000 ] - [ 0.0023375700000000, 0.0015763000000000, -0.0001748500000000 ] - [ 0.0036101100000000, -0.0007832000000000, 0.0018900300000000 ] - [ 0.0010863800000000, -0.0007858500000000, -0.0022103600000000 ] - [ -0.0001887900000000, 0.0217882400000000, -0.0014834300000000 ] - [ -0.0008334200000000, -0.0116642000000000, 0.0178841600000000 ] - [ 0.0005809400000000, -0.0115973900000000, -0.0220121200000000 ] - [ 0.0024321000000000, 0.0002688000000000, 0.0001838300000000 ] - [ 0.0024940600000000, -0.0001255100000000, 0.0005018800000000 ] - [ 0.0023636100000000, -0.0001258900000000, -0.0001329600000000 ] - [ 0.0029285800000000, 0.0189177100000000, 0.0003045600000000 ] - [ 0.0191951400000000, -0.0119943600000000, -0.0001802100000000 ] - [ -0.0143033700000000, -0.0119374600000000, 0.0007024700000000 ] - [ 0.0055381900000000, 0.0004640900000000, -0.0033320900000000 ] - [ 0.0055155900000000, 0.0004611700000000, -0.0036071700000000 ] - [ 0.0055268600000000, -0.0010654900000000, -0.0034691500000000 ] - [ 0.0046634400000000, 0.0004315300000000, -0.0035655600000000 ] - [ 0.0046364500000000, 0.0004281300000000, -0.0032537900000000 ] - [ 0.0046500300000000, -0.0010123200000000, -0.0034103200000000 ] - [ 0.0043227800000000, 0.0019929100000000, -0.0012213600000000 ] - [ 0.0055777800000000, 0.0019938000000000, -0.0039436500000000 ] - [ 0.0049476000000000, -0.0039646300000000, -0.0025813800000000 ] - [ 0.0069553000000000, 0.0037666400000000, -0.0028742700000000 ] - [ 0.0068826100000000, 0.0038401200000000, 0.0014824700000000 ] - [ 0.0069218700000000, -0.0087728600000000, -0.0006675600000000 ] - [ 0.0047357700000000, 0.0004406000000000, -0.0042048000000000 ] - [ 0.0047035100000000, 0.0004397000000000, -0.0044672800000000 ] - [ 0.0047197400000000, -0.0008831200000000, -0.0043363100000000 ] - [ 0.0052178500000000, 0.0004250700000000, -0.0041571500000000 ] - [ 0.0051863500000000, 0.0004266400000000, -0.0038452100000000 ] - [ 0.0052021300000000, -0.0008522000000000, -0.0040002700000000 ] - [ 0.0069809300000000, 0.0020436300000000, 0.0037380900000000 ] - [ 0.0067747900000000, 0.0020590500000000, 0.0049961300000000 ] - [ 0.0068778100000000, -0.0040960200000000, 0.0043682500000000 ] - [ 0.0147906800000000, -0.0002299900000000, -0.0157987700000000 ] - [ -0.0140807800000000, -0.0002229800000000, 0.0161572600000000 ] - [ 0.0004253300000000, 0.0071712200000000, 0.0001107200000000 ] - [ -0.0004599800000000, -0.0006740400000000, -0.0007150100000000 ] - [ -0.0001475200000000, -0.0006718400000000, 0.0008969400000000 ] - [ -0.0003027000000000, 0.0013492200000000, 0.0000923800000000 ] - [ -0.0004048400000000, -0.0002148400000000, -0.0001747600000000 ] - [ -0.0003866500000000, -0.0002141100000000, -0.0001576300000000 ] - [ -0.0003965000000000, 0.0004291600000000, -0.0001662700000000 ] - [ 0.0001086300000000, -0.0006544200000000, -0.0007531900000000 ] - [ -0.0001786700000000, -0.0006522400000000, 0.0008562900000000 ] - [ -0.0000356500000000, 0.0012908800000000, 0.0000524800000000 ] - [ -0.0005697700000000, -0.0002117400000000, 0.0000386200000000 ] - [ -0.0005924600000000, -0.0002114900000000, 0.0000469700000000 ] - [ -0.0005808800000000, 0.0004263000000000, 0.0000418400000000 ] - [ -0.0000496900000000, -0.0006970000000000, 0.0007581100000000 ] - [ 0.0002259500000000, -0.0006992800000000, -0.0006918600000000 ] - [ 0.0000890100000000, 0.0013737500000000, 0.0000295800000000 ] - [ -0.0004365200000000, -0.0006446600000000, 0.0005148700000000 ] - [ -0.0007743500000000, -0.0006460300000000, -0.0008313400000000 ] - [ -0.0006057800000000, 0.0012961400000000, -0.0001618500000000 ] - [ -0.0094384500000000, -0.0044627800000000, -0.0032950600000000 ] - [ -0.0091685800000000, 0.0022075000000000, -0.0086413900000000 ] - [ -0.0097092100000000, 0.0022186800000000, 0.0020067000000000 ] - [ -0.0103459500000000, -0.3198432000000000, 0.0048223600000000 ] - [ -0.0080484000000000, 0.1186038600000000, 0.0045415000000000 ] - [ -0.0143081100000000, 0.1179497000000000, 0.0058160200000000 ] - [ -0.0036079300000000, -0.0184709300000000, 0.0084947100000000 ] - [ -0.0026113700000000, 0.0093003200000000, 0.0087794700000000 ] - [ -0.0043535300000000, 0.0093947700000000, 0.0081953600000000 ] - [ -0.0059672000000000, -0.0077629700000000, 0.0048845300000000 ] - [ -0.0042779900000000, 0.0040178700000000, 0.0184797300000000 ] - [ -0.0076587100000000, 0.0040412300000000, -0.0086025000000000 ] - [ -0.0063955800000000, -0.0007623500000000, 0.0057728800000000 ] - [ -0.0063243800000000, 0.0003837400000000, 0.0067233000000000 ] - [ -0.0064648000000000, 0.0003845300000000, 0.0048182300000000 ] - [ -0.0075234300000000, -0.0006822800000000, 0.0047826000000000 ] - [ -0.0075298200000000, 0.0004929200000000, 0.0060335600000000 ] - [ -0.0075147300000000, 0.0004897400000000, 0.0035265300000000 ] - [ -0.0067652000000000, -0.0045892700000000, 0.0036300500000000 ] - [ -0.0069079600000000, 0.0023059300000000, 0.0080429900000000 ] - [ -0.0066097800000000, 0.0023021800000000, -0.0007583200000000 ] - [ -0.0069564700000000, -0.0006554900000000, 0.0044877700000000 ] - [ -0.0069326900000000, 0.0004767300000000, 0.0032819500000000 ] - [ -0.0069776200000000, 0.0004756000000000, 0.0057000100000000 ] - [ -0.0087614700000000, -0.0079006700000000, 0.0026123500000000 ] - [ -0.0099535900000000, 0.0041244100000000, -0.0125951600000000 ] - [ -0.0075726500000000, 0.0041783100000000, 0.0175809100000000 ] - [ -0.0070006400000000, -0.0007461900000000, 0.0051609400000000 ] - [ -0.0070743900000000, 0.0003747800000000, 0.0042132400000000 ] - [ -0.0069249300000000, 0.0003756200000000, 0.0060996600000000 ]- atom: 124 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ 0.0052668500000000, -0.0065306700000000, -0.0002187800000000 ] - [ 0.0052668500000000, 0.0065306700000000, -0.0002187800000000 ] - [ -0.0004020500000000, 0.0000000000000000, -0.0015895600000000 ] - [ -0.0080216900000000, 0.0091224000000000, -0.0001341400000000 ] - [ -0.0080216900000000, -0.0091224000000000, -0.0001341400000000 ] - [ -0.0003286500000000, 0.0000000000000000, -0.0014590200000000 ] - [ 0.0080801000000000, 0.0099372700000000, 0.0007891000000000 ] - [ 0.0080801000000000, -0.0099372700000000, 0.0007891000000000 ] - [ 0.0000245700000000, 0.0000000000000000, -0.0014378200000000 ] - [ 0.0049147800000000, 0.0185414500000000, -0.0121730900000000 ] - [ 0.0049147800000000, -0.0185414500000000, -0.0121730900000000 ] - [ 0.0050523000000000, 0.0000000000000000, -0.0039634000000000 ] - [ 0.0080145900000000, -0.0075309100000000, 0.0173929900000000 ] - [ 0.0080145900000000, 0.0075309100000000, 0.0173929900000000 ] - [ 0.0090070400000000, 0.0000000000000000, 0.0004282700000000 ] - [ -0.0005364200000000, 0.0002175800000000, -0.0027593200000000 ] - [ -0.0005364200000000, -0.0002175800000000, -0.0027593200000000 ] - [ 0.0015878300000000, 0.0000000000000000, -0.0046770300000000 ] - [ 0.0000895100000000, 0.0000000000000000, -0.0210857100000000 ] - [ -0.0007075100000000, -0.0020377500000000, -0.0076037700000000 ] - [ -0.0007075100000000, 0.0020377500000000, -0.0076037700000000 ] - [ -0.0135352100000000, 0.0000000000000000, -0.0074401500000000 ] - [ 0.0003151500000000, -0.0017529900000000, 0.0000833700000000 ] - [ 0.0003151500000000, 0.0017529900000000, 0.0000833700000000 ] - [ -0.0007866400000000, 0.0000000000000000, 0.0113126800000000 ] - [ 0.0010510400000000, -0.0016573500000000, 0.0049894100000000 ] - [ 0.0010510400000000, 0.0016573500000000, 0.0049894100000000 ] - [ 0.0141525700000000, 0.0000000000000000, -0.0075457800000000 ] - [ 0.0033698400000000, -0.0020043400000000, -0.0001219400000000 ] - [ 0.0033698400000000, 0.0020043400000000, -0.0001219400000000 ] - [ -0.0114013400000000, 0.0000000000000000, 0.0303388900000000 ] - [ -0.0007865500000000, -0.0023417200000000, 0.0081154400000000 ] - [ -0.0007865500000000, 0.0023417200000000, 0.0081154400000000 ] - [ 0.0012865100000000, 0.0000000000000000, -0.0039088600000000 ] - [ 0.0018444500000000, -0.0003320800000000, -0.0024695000000000 ] - [ 0.0018444500000000, 0.0003320800000000, -0.0024695000000000 ] - [ -0.0004373500000000, 0.0000000000000000, -0.0106230300000000 ] - [ 0.0000368500000000, -0.0007221400000000, -0.0053121100000000 ] - [ 0.0000368500000000, 0.0007221400000000, -0.0053121100000000 ] - [ -0.0019527200000000, 0.0000000000000000, -0.0224255000000000 ] - [ -0.0005448300000000, 0.0024019300000000, -0.0081402400000000 ] - [ -0.0005448300000000, -0.0024019300000000, -0.0081402400000000 ] - [ 0.0031591100000000, 0.0000000000000000, -0.0033824000000000 ] - [ 0.0027761700000000, 0.0004953500000000, -0.0017873700000000 ] - [ 0.0027761700000000, -0.0004953500000000, -0.0017873700000000 ] - [ -0.0006182900000000, 0.0000000000000000, -0.0103094800000000 ] - [ -0.0005432800000000, 0.0000212300000000, -0.0076516600000000 ] - [ -0.0005432800000000, -0.0000212300000000, -0.0076516600000000 ] - [ 0.0029946900000000, 0.0000000000000000, -0.0031795400000000 ] - [ 0.0027997900000000, -0.0003379500000000, -0.0018628500000000 ] - [ 0.0027997900000000, 0.0003379500000000, -0.0018628500000000 ] - [ -0.0000130400000000, 0.0000000000000000, -0.0132708100000000 ] - [ 0.0000697500000000, 0.0000137200000000, -0.0091103600000000 ] - [ 0.0000697500000000, -0.0000137200000000, -0.0091103600000000 ] - [ 0.0175752800000000, 0.0000000000000000, -0.0105544100000000 ] - [ 0.0049098000000000, 0.0019159100000000, -0.0002527100000000 ] - [ 0.0049098000000000, -0.0019159100000000, -0.0002527100000000 ] - [ 0.0003517100000000, 0.0000000000000000, -0.0101356900000000 ] - [ -0.0002721700000000, 0.0008013800000000, -0.0045045400000000 ] - [ -0.0002721700000000, -0.0008013800000000, -0.0045045400000000 ] - [ 0.0194009600000000, 0.0000000000000000, 0.0278504200000000 ] - [ 0.0019187600000000, -0.0001327600000000, 0.0027160900000000 ] - [ 0.0019187600000000, 0.0001327600000000, 0.0027160900000000 ] - [ 0.0017454400000000, 0.0000000000000000, 0.0160283400000000 ] - [ 0.0009916300000000, 0.0007492900000000, 0.0076253000000000 ] - [ 0.0009916300000000, -0.0007492900000000, 0.0076253000000000 ] - [ -0.0124808200000000, 0.0000000000000000, -0.0082211800000000 ] - [ 0.0006020100000000, 0.0018531500000000, 0.0002488300000000 ] - [ 0.0006020100000000, -0.0018531500000000, 0.0002488300000000 ] - [ -0.0154197600000000, 0.0000000000000000, 0.0992321500000000 ] - [ -0.0005483400000000, 0.0015429600000000, 0.0092595800000000 ] - [ -0.0005483400000000, -0.0015429600000000, 0.0092595800000000 ] - [ 0.0013836500000000, 0.0000000000000000, -0.0038078700000000 ] - [ 0.0018851500000000, 0.0003661100000000, -0.0020491600000000 ] - [ 0.0018851500000000, -0.0003661100000000, -0.0020491600000000 ] - [ -0.0087812300000000, 0.0000000000000000, 0.0237369000000000 ] - [ 0.0018792200000000, -0.0001378200000000, 0.0034230700000000 ] - [ 0.0018792200000000, 0.0001378200000000, 0.0034230700000000 ] - [ 0.0055681700000000, 0.0015214500000000, -0.0068970800000000 ] - [ 0.0055681700000000, -0.0015214500000000, -0.0068970800000000 ] - [ 0.0055917700000000, 0.0000000000000000, -0.0061811300000000 ] - [ 0.0046726000000000, -0.0015395700000000, -0.0069531900000000 ] - [ 0.0046726000000000, 0.0015395700000000, -0.0069531900000000 ] - [ 0.0046294400000000, 0.0000000000000000, -0.0061164900000000 ] - [ 0.0047037400000000, 0.0045405600000000, -0.0031464100000000 ] - [ 0.0047037400000000, -0.0045405600000000, -0.0031464100000000 ] - [ 0.0047916500000000, 0.0000000000000000, -0.0024767500000000 ] - [ 0.0058535600000000, -0.0198589900000000, -0.0101618500000000 ] - [ 0.0058535600000000, 0.0198589900000000, -0.0101618500000000 ] - [ 0.0066927700000000, 0.0000000000000000, -0.0004418300000000 ] - [ 0.0046858100000000, 0.0010036600000000, -0.0071155900000000 ] - [ 0.0046858100000000, -0.0010036600000000, -0.0071155900000000 ] - [ 0.0047290800000000, 0.0000000000000000, -0.0064797300000000 ] - [ 0.0052600300000000, -0.0010620900000000, -0.0067134100000000 ] - [ 0.0052600300000000, 0.0010620900000000, -0.0067134100000000 ] - [ 0.0052066300000000, 0.0000000000000000, -0.0059512700000000 ] - [ 0.0072263100000000, -0.0053714000000000, 0.0043640900000000 ] - [ 0.0072263100000000, 0.0053714000000000, 0.0043640900000000 ] - [ 0.0068699900000000, 0.0000000000000000, 0.0046706100000000 ] - [ -0.0148183200000000, -0.0164113100000000, -0.0007866000000000 ] - [ -0.0148183200000000, 0.0164113100000000, -0.0007866000000000 ] - [ 0.0000114800000000, 0.0000000000000000, -0.0027428600000000 ] - [ 0.0012326000000000, -0.0025441700000000, 0.0045375600000000 ] - [ 0.0012326000000000, 0.0025441700000000, 0.0045375600000000 ] - [ 0.0001518600000000, 0.0000000000000000, 0.0020717600000000 ] - [ -0.0004346200000000, 0.0000302700000000, 0.0037224200000000 ] - [ -0.0004346200000000, -0.0000302700000000, 0.0037224200000000 ] - [ -0.0004399800000000, 0.0000000000000000, 0.0029876100000000 ] - [ -0.0014657900000000, -0.0020773600000000, 0.0042794300000000 ] - [ -0.0014657900000000, 0.0020773600000000, 0.0042794300000000 ] - [ -0.0004442200000000, 0.0000000000000000, 0.0020498500000000 ] - [ -0.0005206400000000, 0.0000673700000000, 0.0039502300000000 ] - [ -0.0005206400000000, -0.0000673700000000, 0.0039502300000000 ] - [ -0.0005195100000000, 0.0000000000000000, 0.0032128000000000 ] - [ -0.0014996300000000, 0.0028624100000000, 0.0049673900000000 ] - [ -0.0014996300000000, -0.0028624100000000, 0.0049673900000000 ] - [ -0.0005007500000000, 0.0000000000000000, 0.0021687200000000 ] - [ 0.0011950900000000, 0.0023955400000000, 0.0040488800000000 ] - [ 0.0011950900000000, -0.0023955400000000, 0.0040488800000000 ] - [ 0.0000941400000000, 0.0000000000000000, 0.0017142400000000 ] - [ -0.0097273100000000, 0.0000000000000000, -0.0047064800000000 ] - [ -0.0091911600000000, -0.0049067600000000, -0.0062652100000000 ] - [ -0.0091911600000000, 0.0049067600000000, -0.0062652100000000 ] - [ -0.0066597200000000, 0.0000000000000000, -0.3037649400000000 ] - [ -0.0095368100000000, 0.0005901400000000, -0.0128495000000000 ] - [ -0.0095368100000000, -0.0005901400000000, -0.0128495000000000 ] - [ 0.0210581600000000, 0.0000000000000000, -0.0240051600000000 ] - [ -0.0048516300000000, 0.0002848700000000, -0.0045584800000000 ] - [ -0.0048516300000000, -0.0002848700000000, -0.0045584800000000 ] - [ 0.0052659200000000, 0.0000000000000000, 0.0860066800000000 ] - [ -0.0058138300000000, 0.0127478300000000, 0.0037398500000000 ] - [ -0.0058138300000000, -0.0127478300000000, 0.0037398500000000 ] - [ -0.0058302300000000, 0.0000000000000000, 0.0177368400000000 ] - [ -0.0062052100000000, 0.0009020700000000, 0.0130102800000000 ] - [ -0.0062052100000000, -0.0009020700000000, 0.0130102800000000 ] - [ -0.0072666100000000, 0.0000000000000000, 0.0213542700000000 ] - [ -0.0073313100000000, 0.0011764400000000, 0.0139803700000000 ] - [ -0.0073313100000000, -0.0011764400000000, 0.0139803700000000 ] - [ -0.0055906200000000, 0.0000000000000000, 0.0039653200000000 ] - [ -0.0066110400000000, 0.0039681100000000, 0.0027348700000000 ] - [ -0.0066110400000000, -0.0039681100000000, 0.0027348700000000 ] - [ -0.0070575900000000, 0.0000000000000000, 0.0214245200000000 ] - [ -0.0069672200000000, -0.0012482900000000, 0.0137789100000000 ] - [ -0.0069672200000000, 0.0012482900000000, 0.0137789100000000 ] - [ -0.0019191200000000, 0.0000000000000000, 0.0917119100000000 ] - [ -0.0093614600000000, -0.0144433800000000, 0.0002101400000000 ] - [ -0.0093614600000000, 0.0144433800000000, 0.0002101400000000 ] - [ -0.0064305600000000, 0.0000000000000000, 0.0169761400000000 ] - [ -0.0067347500000000, -0.0010138200000000, 0.0120837100000000 ] - [ -0.0067347500000000, 0.0010138200000000, 0.0120837100000000 ]- atom: 124 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0062715100000000, 0.0064716800000000, 0.0000899200000000 ] - [ -0.0062715100000000, -0.0064716800000000, 0.0000899200000000 ] - [ -0.0006689100000000, 0.0000000000000000, 0.0014541700000000 ] - [ 0.0078365400000000, -0.0092155100000000, 0.0002179700000000 ] - [ 0.0078365400000000, 0.0092155100000000, 0.0002179700000000 ] - [ 0.0000602700000000, 0.0000000000000000, 0.0015659800000000 ] - [ -0.0084811100000000, -0.0100401100000000, -0.0002013800000000 ] - [ -0.0084811100000000, 0.0100401100000000, -0.0002013800000000 ] - [ -0.0003315300000000, 0.0000000000000000, 0.0020482800000000 ] - [ 0.0040577900000000, -0.0184919200000000, 0.0046783600000000 ] - [ 0.0040577900000000, 0.0184919200000000, 0.0046783600000000 ] - [ 0.0039235100000000, 0.0000000000000000, -0.0034335100000000 ] - [ 0.0113807600000000, 0.0087455700000000, -0.0245064700000000 ] - [ 0.0113807600000000, -0.0087455700000000, -0.0245064700000000 ] - [ 0.0102857700000000, 0.0000000000000000, -0.0073261100000000 ] - [ 0.0033070400000000, -0.0002409300000000, -0.0116541400000000 ] - [ 0.0033070400000000, 0.0002409300000000, -0.0116541400000000 ] - [ 0.0011743400000000, 0.0000000000000000, -0.0097452700000000 ] - [ -0.0013912300000000, 0.0000000000000000, 0.0184502700000000 ] - [ -0.0005875000000000, 0.0020261400000000, 0.0049760600000000 ] - [ -0.0005875000000000, -0.0020261400000000, 0.0049760600000000 ] - [ 0.0175042700000000, 0.0000000000000000, 0.0078890100000000 ] - [ 0.0036246000000000, 0.0017442000000000, 0.0004267100000000 ] - [ 0.0036246000000000, -0.0017442000000000, 0.0004267100000000 ] - [ 0.0001394800000000, 0.0000000000000000, -0.0152120000000000 ] - [ -0.0016764400000000, 0.0016435600000000, -0.0089254900000000 ] - [ -0.0016764400000000, -0.0016435600000000, -0.0089254900000000 ] - [ -0.0101904500000000, 0.0000000000000000, 0.0075816500000000 ] - [ 0.0005303800000000, 0.0019923600000000, 0.0002275200000000 ] - [ 0.0005303800000000, -0.0019923600000000, 0.0002275200000000 ] - [ 0.0102100800000000, 0.0000000000000000, -0.0267661300000000 ] - [ 0.0006765300000000, 0.0023419200000000, -0.0107345400000000 ] - [ 0.0006765300000000, -0.0023419200000000, -0.0107345400000000 ] - [ 0.0032737500000000, 0.0000000000000000, 0.0037124400000000 ] - [ 0.0027147000000000, 0.0003315900000000, 0.0022768000000000 ] - [ 0.0027147000000000, -0.0003315900000000, 0.0022768000000000 ] - [ 0.0011306400000000, 0.0000000000000000, 0.0081272300000000 ] - [ 0.0006502200000000, 0.0007195700000000, 0.0028260500000000 ] - [ 0.0006502200000000, -0.0007195700000000, 0.0028260500000000 ] - [ 0.0009348900000000, 0.0000000000000000, 0.0184104400000000 ] - [ -0.0004667400000000, -0.0023979300000000, 0.0042181900000000 ] - [ -0.0004667400000000, 0.0023979300000000, 0.0042181900000000 ] - [ 0.0018146300000000, 0.0000000000000000, 0.0044476800000000 ] - [ 0.0021923100000000, -0.0004941600000000, 0.0028596000000000 ] - [ 0.0021923100000000, 0.0004941600000000, 0.0028596000000000 ] - [ -0.0003359200000000, 0.0000000000000000, 0.0079650000000000 ] - [ -0.0004119400000000, -0.0000211000000000, 0.0053167300000000 ] - [ -0.0004119400000000, 0.0000211000000000, 0.0053167300000000 ] - [ 0.0022204100000000, 0.0000000000000000, 0.0040504400000000 ] - [ 0.0024114700000000, 0.0003371000000000, 0.0027376000000000 ] - [ 0.0024114700000000, -0.0003371000000000, 0.0027376000000000 ] - [ 0.0002751000000000, 0.0000000000000000, 0.0102063600000000 ] - [ 0.0001935800000000, -0.0000126400000000, 0.0060613100000000 ] - [ 0.0001935800000000, 0.0000126400000000, 0.0060613100000000 ] - [ -0.0115895400000000, 0.0000000000000000, 0.0098727500000000 ] - [ 0.0009763500000000, -0.0019174200000000, -0.0004455400000000 ] - [ 0.0009763500000000, 0.0019174200000000, -0.0004455400000000 ] - [ -0.0009046000000000, 0.0000000000000000, 0.0072741900000000 ] - [ -0.0002907700000000, -0.0008002100000000, 0.0016702900000000 ] - [ -0.0002907700000000, 0.0008002100000000, 0.0016702900000000 ] - [ -0.0173655000000000, 0.0000000000000000, -0.0286651500000000 ] - [ 0.0009262400000000, 0.0001435100000000, -0.0030712700000000 ] - [ 0.0009262400000000, -0.0001435100000000, -0.0030712700000000 ] - [ -0.0008920800000000, 0.0000000000000000, -0.0169655200000000 ] - [ -0.0001538300000000, -0.0007513800000000, -0.0085084400000000 ] - [ -0.0001538300000000, 0.0007513800000000, -0.0085084400000000 ] - [ 0.0171765400000000, 0.0000000000000000, 0.0079279000000000 ] - [ 0.0040872500000000, -0.0018550300000000, -0.0005751900000000 ] - [ 0.0040872500000000, 0.0018550300000000, -0.0005751900000000 ] - [ 0.0163036000000000, 0.0000000000000000, -0.1145991500000000 ] - [ 0.0003018800000000, -0.0015092800000000, -0.0133916900000000 ] - [ 0.0003018800000000, 0.0015092800000000, -0.0133916900000000 ] - [ 0.0034754500000000, 0.0000000000000000, 0.0041657400000000 ] - [ 0.0029723600000000, -0.0003650000000000, 0.0024143000000000 ] - [ 0.0029723600000000, 0.0003650000000000, 0.0024143000000000 ] - [ 0.0145543400000000, 0.0000000000000000, -0.0233202400000000 ] - [ 0.0029486200000000, 0.0001413600000000, -0.0028873800000000 ] - [ 0.0029486200000000, -0.0001413600000000, -0.0028873800000000 ] - [ 0.0054857600000000, -0.0015215500000000, -0.0000514200000000 ] - [ 0.0054857600000000, 0.0015215500000000, -0.0000514200000000 ] - [ 0.0054623300000000, 0.0000000000000000, -0.0007649900000000 ] - [ 0.0046270400000000, 0.0015314400000000, 0.0001269500000000 ] - [ 0.0046270400000000, -0.0015314400000000, 0.0001269500000000 ] - [ 0.0046702300000000, 0.0000000000000000, -0.0007088200000000 ] - [ 0.0051956600000000, -0.0045307500000000, -0.0020201000000000 ] - [ 0.0051956600000000, 0.0045307500000000, -0.0020201000000000 ] - [ 0.0051027800000000, 0.0000000000000000, -0.0026853500000000 ] - [ 0.0079932700000000, 0.0197638500000000, 0.0088597400000000 ] - [ 0.0079932700000000, -0.0197638500000000, 0.0088597400000000 ] - [ 0.0071493800000000, 0.0000000000000000, -0.0009150300000000 ] - [ 0.0047533000000000, -0.0010042400000000, -0.0015630700000000 ] - [ 0.0047533000000000, 0.0010042400000000, -0.0015630700000000 ] - [ 0.0047102600000000, 0.0000000000000000, -0.0021963600000000 ] - [ 0.0051446200000000, 0.0010558700000000, -0.0012919100000000 ] - [ 0.0051446200000000, -0.0010558700000000, -0.0012919100000000 ] - [ 0.0051978900000000, 0.0000000000000000, -0.0020533200000000 ] - [ 0.0065305300000000, 0.0053630200000000, 0.0043755700000000 ] - [ 0.0065305300000000, -0.0053630200000000, 0.0043755700000000 ] - [ 0.0068853000000000, 0.0000000000000000, 0.0040657300000000 ] - [ 0.0155096600000000, 0.0162256100000000, 0.0010173000000000 ] - [ 0.0155096600000000, -0.0162256100000000, 0.0010173000000000 ] - [ 0.0008530000000000, 0.0000000000000000, 0.0029541600000000 ] - [ -0.0018316500000000, 0.0025382900000000, -0.0043403900000000 ] - [ -0.0018316500000000, -0.0025382900000000, -0.0043403900000000 ] - [ -0.0007570100000000, 0.0000000000000000, -0.0018852800000000 ] - [ -0.0003580000000000, -0.0000292100000000, -0.0040483700000000 ] - [ -0.0003580000000000, 0.0000292100000000, -0.0040483700000000 ] - [ -0.0003528500000000, 0.0000000000000000, -0.0033156400000000 ] - [ 0.0013868900000000, 0.0020711000000000, -0.0041587600000000 ] - [ 0.0013868900000000, -0.0020711000000000, -0.0041587600000000 ] - [ 0.0003729800000000, 0.0000000000000000, -0.0019449700000000 ] - [ -0.0006413700000000, -0.0000655000000000, -0.0038582000000000 ] - [ -0.0006413700000000, 0.0000655000000000, -0.0038582000000000 ] - [ -0.0006423800000000, 0.0000000000000000, -0.0031242600000000 ] - [ 0.0016750000000000, -0.0028546400000000, -0.0049054100000000 ] - [ 0.0016750000000000, 0.0028546400000000, -0.0049054100000000 ] - [ 0.0006755600000000, 0.0000000000000000, -0.0021051300000000 ] - [ -0.0024040600000000, -0.0023893500000000, -0.0043725900000000 ] - [ -0.0024040600000000, 0.0023893500000000, -0.0043725900000000 ] - [ -0.0013024300000000, 0.0000000000000000, -0.0020337900000000 ] - [ -0.0092054500000000, 0.0000000000000000, -0.0019193900000000 ] - [ -0.0096849800000000, 0.0049044600000000, -0.0003716100000000 ] - [ -0.0096849800000000, -0.0049044600000000, -0.0003716100000000 ] - [ -0.0159864700000000, 0.0000000000000000, 0.3200297100000000 ] - [ -0.0128336400000000, -0.0006903800000000, 0.0231646700000000 ] - [ -0.0128336400000000, 0.0006903800000000, 0.0231646700000000 ] - [ -0.0280556700000000, 0.0000000000000000, 0.0409107400000000 ] - [ -0.0020918300000000, -0.0002896000000000, 0.0215056300000000 ] - [ -0.0020918300000000, 0.0002896000000000, 0.0215056300000000 ] - [ -0.0171979900000000, 0.0000000000000000, -0.0755206700000000 ] - [ -0.0061248800000000, -0.0126931800000000, 0.0060878100000000 ] - [ -0.0061248800000000, 0.0126931800000000, 0.0060878100000000 ] - [ -0.0069643100000000, 0.0000000000000000, -0.0061629100000000 ] - [ -0.0065849400000000, -0.0009023000000000, -0.0014547300000000 ] - [ -0.0065849400000000, 0.0009023000000000, -0.0014547300000000 ] - [ -0.0077781100000000, 0.0000000000000000, -0.0117569800000000 ] - [ -0.0077134700000000, -0.0011730100000000, -0.0043947600000000 ] - [ -0.0077134700000000, 0.0011730100000000, -0.0043947600000000 ] - [ -0.0079701200000000, 0.0000000000000000, 0.0033060600000000 ] - [ -0.0069072900000000, -0.0039538100000000, 0.0045484600000000 ] - [ -0.0069072900000000, 0.0039538100000000, 0.0045484600000000 ] - [ -0.0068561800000000, 0.0000000000000000, -0.0123846700000000 ] - [ -0.0069449900000000, 0.0012418700000000, -0.0047801400000000 ] - [ -0.0069449900000000, -0.0012418700000000, -0.0047801400000000 ] - [ -0.0156328500000000, 0.0000000000000000, -0.0867232100000000 ] - [ -0.0081625400000000, 0.0144168400000000, 0.0048147000000000 ] - [ -0.0081625400000000, -0.0144168400000000, 0.0048147000000000 ] - [ -0.0075703800000000, 0.0000000000000000, -0.0066322000000000 ] - [ -0.0072642800000000, 0.0010105300000000, -0.0017601900000000 ] - [ -0.0072642800000000, -0.0010105300000000, -0.0017601900000000 ]- atom: 127 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0001115900000000, 0.0060495200000000, -0.0067765900000000 ] - [ -0.0001115900000000, -0.0060495200000000, -0.0067765900000000 ] - [ -0.0005947800000000, 0.0000000000000000, -0.0002890900000000 ] - [ 0.0020737300000000, 0.0052198200000000, 0.0050148000000000 ] - [ 0.0020737300000000, -0.0052198200000000, 0.0050148000000000 ] - [ -0.0001228100000000, 0.0000000000000000, -0.0000748900000000 ] - [ 0.0021410600000000, -0.0058341500000000, -0.0059695600000000 ] - [ 0.0021410600000000, 0.0058341500000000, -0.0059695600000000 ] - [ -0.0001466700000000, 0.0000000000000000, 0.0000988700000000 ] - [ 0.0036468700000000, 0.0002428800000000, -0.0038432500000000 ] - [ 0.0036468700000000, -0.0002428800000000, -0.0038432500000000 ] - [ 0.0043919100000000, 0.0000000000000000, -0.0036982900000000 ] - [ -0.0093373100000000, -0.0013879600000000, -0.0049363300000000 ] - [ -0.0093373100000000, 0.0013879600000000, -0.0049363300000000 ] - [ 0.0090226000000000, 0.0000000000000000, -0.0032034800000000 ] - [ 0.0155242000000000, 0.0016176500000000, -0.0062869600000000 ] - [ 0.0155242000000000, -0.0016176500000000, -0.0062869600000000 ] - [ 0.0017932200000000, 0.0000000000000000, -0.0067707600000000 ] - [ -0.0009269900000000, 0.0000000000000000, -0.0024865000000000 ] - [ -0.0007213900000000, -0.0000608200000000, -0.0017630300000000 ] - [ -0.0007213900000000, 0.0000608200000000, -0.0017630300000000 ] - [ 0.0029900500000000, 0.0000000000000000, 0.0010648800000000 ] - [ 0.0021659100000000, 0.0000379800000000, 0.0004664700000000 ] - [ 0.0021659100000000, -0.0000379800000000, 0.0004664700000000 ] - [ 0.0171758800000000, 0.0000000000000000, -0.0059671700000000 ] - [ 0.0003232600000000, -0.0004944300000000, -0.0008595700000000 ] - [ 0.0003232600000000, 0.0004944300000000, -0.0008595700000000 ] - [ -0.0004201800000000, 0.0000000000000000, -0.0012903900000000 ] - [ 0.0018397900000000, -0.0006255000000000, -0.0003312900000000 ] - [ 0.0018397900000000, 0.0006255000000000, -0.0003312900000000 ] - [ -0.0195583000000000, 0.0000000000000000, -0.0015828100000000 ] - [ -0.0008382900000000, -0.0004233800000000, -0.0004486300000000 ] - [ -0.0008382900000000, 0.0004233800000000, -0.0004486300000000 ] - [ 0.0023830500000000, 0.0000000000000000, -0.0005403800000000 ] - [ 0.0023273100000000, -0.0000251400000000, -0.0003764800000000 ] - [ 0.0023273100000000, 0.0000251400000000, -0.0003764800000000 ] - [ 0.0007619500000000, 0.0000000000000000, -0.0040248800000000 ] - [ 0.0004055200000000, -0.0002570600000000, -0.0021673200000000 ] - [ 0.0004055200000000, 0.0002570600000000, -0.0021673200000000 ] - [ -0.0008095300000000, 0.0000000000000000, -0.0034383800000000 ] - [ -0.0005103900000000, 0.0001282600000000, -0.0023865200000000 ] - [ -0.0005103900000000, -0.0001282600000000, -0.0023865200000000 ] - [ 0.0024538500000000, 0.0000000000000000, 0.0000414700000000 ] - [ 0.0024395000000000, 0.0000662800000000, 0.0002517900000000 ] - [ 0.0024395000000000, -0.0000662800000000, 0.0002517900000000 ] - [ -0.0004679300000000, 0.0000000000000000, -0.0026568900000000 ] - [ -0.0004774600000000, 0.0000069700000000, -0.0021196500000000 ] - [ -0.0004774600000000, -0.0000069700000000, -0.0021196500000000 ] - [ 0.0024493600000000, 0.0000000000000000, -0.0000022700000000 ] - [ 0.0025315900000000, -0.0000359400000000, 0.0001324200000000 ] - [ 0.0025315900000000, 0.0000359400000000, 0.0001324200000000 ] - [ 0.0001445200000000, 0.0000000000000000, -0.0027208800000000 ] - [ 0.0001221700000000, 0.0000092900000000, -0.0023273700000000 ] - [ 0.0001221700000000, -0.0000092900000000, -0.0023273700000000 ] - [ 0.0007606600000000, 0.0000000000000000, -0.0017821400000000 ] - [ 0.0027394200000000, 0.0003012000000000, -0.0003820700000000 ] - [ 0.0027394200000000, -0.0003012000000000, -0.0003820700000000 ] - [ 0.0000476700000000, 0.0000000000000000, -0.0044943600000000 ] - [ -0.0002299100000000, 0.0003775700000000, -0.0021585400000000 ] - [ -0.0002299100000000, -0.0003775700000000, -0.0021585400000000 ] - [ 0.0067864300000000, 0.0000000000000000, -0.0230109100000000 ] - [ 0.0011600700000000, 0.0002357900000000, -0.0001744100000000 ] - [ 0.0011600700000000, -0.0002357900000000, -0.0001744100000000 ] - [ 0.0196792000000000, 0.0000000000000000, 0.0119855000000000 ] - [ 0.0008405500000000, 0.0002704200000000, 0.0010034100000000 ] - [ 0.0008405500000000, -0.0002704200000000, 0.0010034100000000 ] - [ 0.0052951200000000, 0.0000000000000000, -0.0000612000000000 ] - [ 0.0026607300000000, 0.0000098000000000, 0.0001488400000000 ] - [ 0.0026607300000000, -0.0000098000000000, 0.0001488400000000 ] - [ -0.0185230200000000, 0.0000000000000000, -0.0062880600000000 ] - [ -0.0005181800000000, 0.0001664200000000, -0.0012040000000000 ] - [ -0.0005181800000000, -0.0001664200000000, -0.0012040000000000 ] - [ 0.0024224700000000, 0.0000000000000000, -0.0003360200000000 ] - [ 0.0024445300000000, 0.0000463600000000, -0.0000868800000000 ] - [ 0.0024445300000000, -0.0000463600000000, -0.0000868800000000 ] - [ 0.0674380300000000, 0.0000000000000000, -0.0173386400000000 ] - [ 0.0019456600000000, 0.0001977700000000, 0.0004387200000000 ] - [ 0.0019456600000000, -0.0001977700000000, 0.0004387200000000 ] - [ 0.0055065200000000, 0.0001015900000000, -0.0038047300000000 ] - [ 0.0055065200000000, -0.0001015900000000, -0.0038047300000000 ] - [ 0.0055117800000000, 0.0000000000000000, -0.0037372500000000 ] - [ 0.0046460500000000, -0.0001610400000000, -0.0037670900000000 ] - [ 0.0046460500000000, 0.0001610400000000, -0.0037670900000000 ] - [ 0.0046425400000000, 0.0000000000000000, -0.0036634100000000 ] - [ 0.0057568000000000, 0.0025059500000000, -0.0038201600000000 ] - [ 0.0057568000000000, -0.0025059500000000, -0.0038201600000000 ] - [ 0.0050826200000000, 0.0000000000000000, -0.0026553200000000 ] - [ 0.0064821100000000, -0.0009454000000000, -0.0007157700000000 ] - [ 0.0064821100000000, 0.0009454000000000, -0.0007157700000000 ] - [ 0.0068704000000000, 0.0000000000000000, -0.0006534000000000 ] - [ 0.0047323300000000, 0.0001688200000000, -0.0047652400000000 ] - [ 0.0047323300000000, -0.0001688200000000, -0.0047652400000000 ] - [ 0.0047352300000000, 0.0000000000000000, -0.0046987700000000 ] - [ 0.0052000200000000, -0.0002080100000000, -0.0044463700000000 ] - [ 0.0052000200000000, 0.0002080100000000, -0.0044463700000000 ] - [ 0.0051923500000000, 0.0000000000000000, -0.0043434600000000 ] - [ 0.0074298800000000, -0.0033565800000000, 0.0028762300000000 ] - [ 0.0074298800000000, 0.0033565800000000, 0.0028762300000000 ] - [ 0.0068866400000000, 0.0000000000000000, 0.0043521700000000 ] - [ 0.0066597900000000, -0.0135527700000000, 0.0129946000000000 ] - [ 0.0066597900000000, 0.0135527700000000, 0.0129946000000000 ] - [ 0.0005440300000000, 0.0000000000000000, -0.0002771700000000 ] - [ -0.0005804900000000, -0.0000944300000000, 0.0003426300000000 ] - [ -0.0005804900000000, 0.0000944300000000, 0.0003426300000000 ] - [ -0.0004151100000000, 0.0000000000000000, 0.0002852200000000 ] - [ -0.0004093900000000, 0.0000106400000000, 0.0003067300000000 ] - [ -0.0004093900000000, -0.0000106400000000, 0.0003067300000000 ] - [ -0.0004047400000000, 0.0000000000000000, 0.0002237900000000 ] - [ 0.0002190100000000, -0.0003186800000000, 0.0007431300000000 ] - [ 0.0002190100000000, 0.0003186800000000, 0.0007431300000000 ] - [ 0.0000820600000000, 0.0000000000000000, 0.0003985500000000 ] - [ -0.0005652800000000, 0.0000130200000000, 0.0005338200000000 ] - [ -0.0005652800000000, -0.0000130200000000, 0.0005338200000000 ] - [ -0.0005697100000000, 0.0000000000000000, 0.0004459800000000 ] - [ 0.0002774600000000, 0.0003939800000000, 0.0007110300000000 ] - [ 0.0002774600000000, -0.0003939800000000, 0.0007110300000000 ] - [ 0.0001482200000000, 0.0000000000000000, 0.0002869500000000 ] - [ -0.0008034800000000, 0.0002776700000000, 0.0002150900000000 ] - [ -0.0008034800000000, -0.0002776700000000, 0.0002150900000000 ] - [ -0.0006676700000000, 0.0000000000000000, 0.0000100700000000 ] - [ -0.0158231600000000, 0.0000000000000000, 0.0131891500000000 ] - [ -0.0099535900000000, -0.0022551600000000, -0.0037901800000000 ] - [ -0.0099535900000000, 0.0022551600000000, -0.0037901800000000 ] - [ 0.1954348000000000, 0.0000000000000000, 0.0298291200000000 ] - [ -0.0090051900000000, -0.0008402500000000, 0.0038032700000000 ] - [ -0.0090051900000000, 0.0008402500000000, 0.0038032700000000 ] - [ -0.2830169100000000, 0.0000000000000000, -0.0039515300000000 ] - [ -0.0063432200000000, -0.0000397200000000, 0.0064211100000000 ] - [ -0.0063432200000000, 0.0000397200000000, 0.0064211100000000 ] - [ -0.0040316700000000, 0.0000000000000000, 0.0041620000000000 ] - [ -0.0054543400000000, 0.0002192300000000, 0.0047892200000000 ] - [ -0.0054543400000000, -0.0002192300000000, 0.0047892200000000 ] - [ -0.0063878700000000, 0.0000000000000000, 0.0078417600000000 ] - [ -0.0063804700000000, 0.0001205300000000, 0.0069969400000000 ] - [ -0.0063804700000000, -0.0001205300000000, 0.0069969400000000 ] - [ -0.0075148800000000, 0.0000000000000000, 0.0061536200000000 ] - [ -0.0074825400000000, 0.0000895100000000, 0.0056608100000000 ] - [ -0.0074825400000000, -0.0000895100000000, 0.0056608100000000 ] - [ -0.0101100600000000, 0.0000000000000000, 0.0146452600000000 ] - [ -0.0073750200000000, 0.0015777600000000, 0.0036008700000000 ] - [ -0.0073750200000000, -0.0015777600000000, 0.0036008700000000 ] - [ -0.0070083400000000, 0.0000000000000000, 0.0061864300000000 ] - [ -0.0069340500000000, -0.0001462600000000, 0.0053765000000000 ] - [ -0.0069340500000000, 0.0001462600000000, 0.0053765000000000 ] - [ -0.0064366000000000, 0.0000000000000000, 0.0042460700000000 ] - [ -0.0084066700000000, -0.0005719900000000, 0.0022614600000000 ] - [ -0.0084066700000000, 0.0005719900000000, 0.0022614600000000 ] - [ -0.0068417000000000, 0.0000000000000000, 0.0072234000000000 ] - [ -0.0069675700000000, -0.0001662600000000, 0.0063023100000000 ] - [ -0.0069675700000000, 0.0001662600000000, 0.0063023100000000 ]- atom: 127 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0009426800000000, -0.0061393700000000, 0.0067274900000000 ] - [ -0.0009426800000000, 0.0061393700000000, 0.0067274900000000 ] - [ -0.0004780800000000, 0.0000000000000000, 0.0001538100000000 ] - [ -0.0023391800000000, -0.0052769300000000, -0.0049627500000000 ] - [ -0.0023391800000000, 0.0052769300000000, -0.0049627500000000 ] - [ -0.0001425400000000, 0.0000000000000000, 0.0001931800000000 ] - [ -0.0024338800000000, 0.0057575000000000, 0.0065229600000000 ] - [ -0.0024338800000000, -0.0057575000000000, 0.0065229600000000 ] - [ -0.0001630400000000, 0.0000000000000000, 0.0005247500000000 ] - [ 0.0053287700000000, -0.0002395700000000, -0.0035663100000000 ] - [ 0.0053287700000000, 0.0002395700000000, -0.0035663100000000 ] - [ 0.0045829200000000, 0.0000000000000000, -0.0037011000000000 ] - [ 0.0287080000000000, 0.0013386000000000, -0.0019324100000000 ] - [ 0.0287080000000000, -0.0013386000000000, -0.0019324100000000 ] - [ 0.0102764800000000, 0.0000000000000000, -0.0036790400000000 ] - [ -0.0126452900000000, -0.0003888100000000, -0.0082174700000000 ] - [ -0.0126452900000000, 0.0003888100000000, -0.0082174700000000 ] - [ 0.0009787700000000, 0.0000000000000000, -0.0076767100000000 ] - [ -0.0003564600000000, 0.0000000000000000, -0.0001038000000000 ] - [ -0.0005722000000000, 0.0000601400000000, -0.0008426000000000 ] - [ -0.0005722000000000, -0.0000601400000000, -0.0008426000000000 ] - [ 0.0009232100000000, 0.0000000000000000, -0.0005505900000000 ] - [ 0.0017706900000000, -0.0000403900000000, 0.0000452100000000 ] - [ 0.0017706900000000, 0.0000403900000000, 0.0000452100000000 ] - [ -0.0177504400000000, 0.0000000000000000, 0.0010270400000000 ] - [ -0.0009596300000000, 0.0005017400000000, -0.0030841800000000 ] - [ -0.0009596300000000, -0.0005017400000000, -0.0030841800000000 ] - [ 0.0043432800000000, 0.0000000000000000, 0.0014315700000000 ] - [ 0.0020586200000000, 0.0006217700000000, 0.0004390500000000 ] - [ 0.0020586200000000, -0.0006217700000000, 0.0004390500000000 ] - [ 0.0195408200000000, 0.0000000000000000, -0.0010234500000000 ] - [ 0.0007391200000000, 0.0004129200000000, -0.0021979700000000 ] - [ 0.0007391200000000, -0.0004129200000000, -0.0021979700000000 ] - [ 0.0021813300000000, 0.0000000000000000, 0.0003566000000000 ] - [ 0.0022303400000000, 0.0000251600000000, 0.0001916700000000 ] - [ 0.0022303400000000, -0.0000251600000000, 0.0001916700000000 ] - [ -0.0000720300000000, 0.0000000000000000, 0.0015214500000000 ] - [ 0.0002814500000000, 0.0002579100000000, -0.0002983700000000 ] - [ 0.0002814500000000, -0.0002579100000000, -0.0002983700000000 ] - [ -0.0001938700000000, 0.0000000000000000, -0.0004587200000000 ] - [ -0.0004998800000000, -0.0001289500000000, -0.0015040500000000 ] - [ -0.0004998800000000, 0.0001289500000000, -0.0015040500000000 ] - [ 0.0025132900000000, 0.0000000000000000, 0.0010373600000000 ] - [ 0.0025244000000000, -0.0000663600000000, 0.0008265800000000 ] - [ 0.0025244000000000, 0.0000663600000000, 0.0008265800000000 ] - [ -0.0004817100000000, 0.0000000000000000, 0.0003369400000000 ] - [ -0.0004782800000000, -0.0000072000000000, -0.0001955500000000 ] - [ -0.0004782800000000, 0.0000072000000000, -0.0001955500000000 ] - [ 0.0027603900000000, 0.0000000000000000, 0.0008860200000000 ] - [ 0.0026792100000000, 0.0000363300000000, 0.0007509100000000 ] - [ 0.0026792100000000, -0.0000363300000000, 0.0007509100000000 ] - [ 0.0001217800000000, 0.0000000000000000, -0.0002992700000000 ] - [ 0.0001416800000000, -0.0000089100000000, -0.0006944100000000 ] - [ 0.0001416800000000, 0.0000089100000000, -0.0006944100000000 ] - [ 0.0051406000000000, 0.0000000000000000, 0.0010876200000000 ] - [ 0.0031270800000000, -0.0003025800000000, -0.0003191900000000 ] - [ 0.0031270800000000, 0.0003025800000000, -0.0003191900000000 ] - [ -0.0005874000000000, 0.0000000000000000, 0.0016601400000000 ] - [ -0.0003332300000000, -0.0003763000000000, -0.0006779100000000 ] - [ -0.0003332300000000, 0.0003763000000000, -0.0006779100000000 ] - [ -0.0104851500000000, 0.0000000000000000, 0.0239880500000000 ] - [ 0.0016477900000000, -0.0002107600000000, -0.0001854400000000 ] - [ 0.0016477900000000, 0.0002107600000000, -0.0001854400000000 ] - [ -0.0184292200000000, 0.0000000000000000, -0.0120589300000000 ] - [ -0.0000051900000000, -0.0002561500000000, -0.0019278800000000 ] - [ -0.0000051900000000, 0.0002561500000000, -0.0019278800000000 ] - [ -0.0005500700000000, 0.0000000000000000, -0.0002832200000000 ] - [ 0.0020413800000000, -0.0000120800000000, -0.0004799200000000 ] - [ 0.0020413800000000, 0.0000120800000000, -0.0004799200000000 ] - [ 0.0183586100000000, 0.0000000000000000, 0.0020546200000000 ] - [ 0.0002684700000000, -0.0001771300000000, -0.0029247600000000 ] - [ 0.0002684700000000, 0.0001771300000000, -0.0029247600000000 ] - [ 0.0024418100000000, 0.0000000000000000, 0.0007057000000000 ] - [ 0.0024161900000000, -0.0000461200000000, 0.0004583000000000 ] - [ 0.0024161900000000, 0.0000461200000000, 0.0004583000000000 ] - [ -0.0524903100000000, 0.0000000000000000, 0.0167500900000000 ] - [ 0.0029374400000000, -0.0001575900000000, 0.0000850600000000 ] - [ 0.0029374400000000, 0.0001575900000000, 0.0000850600000000 ] - [ 0.0055477300000000, -0.0001036600000000, -0.0031309100000000 ] - [ 0.0055477300000000, 0.0001036600000000, -0.0031309100000000 ] - [ 0.0055423700000000, 0.0000000000000000, -0.0031988700000000 ] - [ 0.0046537800000000, 0.0001606100000000, -0.0030468100000000 ] - [ 0.0046537800000000, -0.0001606100000000, -0.0030468100000000 ] - [ 0.0046572000000000, 0.0000000000000000, -0.0031504900000000 ] - [ 0.0041371900000000, -0.0025187400000000, -0.0013330000000000 ] - [ 0.0041371900000000, 0.0025187400000000, -0.0013330000000000 ] - [ 0.0048109900000000, 0.0000000000000000, -0.0025026900000000 ] - [ 0.0073625200000000, 0.0009486700000000, -0.0006206700000000 ] - [ 0.0073625200000000, -0.0009486700000000, -0.0006206700000000 ] - [ 0.0069751500000000, 0.0000000000000000, -0.0006906500000000 ] - [ 0.0047062900000000, -0.0001667600000000, -0.0039042200000000 ] - [ 0.0047062900000000, 0.0001667600000000, -0.0039042200000000 ] - [ 0.0047040000000000, 0.0000000000000000, -0.0039700600000000 ] - [ 0.0052037200000000, 0.0002072900000000, -0.0035535800000000 ] - [ 0.0052037200000000, -0.0002072900000000, -0.0035535800000000 ] - [ 0.0052119600000000, 0.0000000000000000, -0.0036567600000000 ] - [ 0.0063216300000000, 0.0033450100000000, 0.0058496200000000 ] - [ 0.0063216300000000, -0.0033450100000000, 0.0058496200000000 ] - [ 0.0068681200000000, 0.0000000000000000, 0.0043779100000000 ] - [ -0.0057841900000000, 0.0134200600000000, -0.0126303700000000 ] - [ -0.0057841900000000, -0.0134200600000000, -0.0126303700000000 ] - [ 0.0003231300000000, 0.0000000000000000, 0.0004843600000000 ] - [ -0.0000260400000000, 0.0000925400000000, -0.0001617700000000 ] - [ -0.0000260400000000, -0.0000925400000000, -0.0001617700000000 ] - [ -0.0001894200000000, 0.0000000000000000, -0.0001053100000000 ] - [ -0.0003821900000000, -0.0000108300000000, -0.0006437800000000 ] - [ -0.0003821900000000, 0.0000108300000000, -0.0006437800000000 ] - [ -0.0003870800000000, 0.0000000000000000, -0.0005607800000000 ] - [ -0.0002910200000000, 0.0003231100000000, -0.0006465100000000 ] - [ -0.0002910200000000, -0.0003231100000000, -0.0006465100000000 ] - [ -0.0001541000000000, 0.0000000000000000, -0.0002996700000000 ] - [ -0.0005973700000000, -0.0000123800000000, -0.0004530500000000 ] - [ -0.0005973700000000, 0.0000123800000000, -0.0004530500000000 ] - [ -0.0005932700000000, 0.0000000000000000, -0.0003667300000000 ] - [ -0.0000956300000000, -0.0003943400000000, -0.0006537100000000 ] - [ -0.0000956300000000, 0.0003943400000000, -0.0006537100000000 ] - [ 0.0000332700000000, 0.0000000000000000, -0.0002282300000000 ] - [ -0.0004122900000000, -0.0002771300000000, -0.0005405300000000 ] - [ -0.0004122900000000, 0.0002771300000000, -0.0005405300000000 ] - [ -0.0005479300000000, 0.0000000000000000, -0.0003330600000000 ] - [ -0.0030711500000000, 0.0000000000000000, -0.0197426600000000 ] - [ -0.0089235000000000, 0.0022523200000000, -0.0028141800000000 ] - [ -0.0089235000000000, -0.0022523200000000, -0.0028141800000000 ] - [ -0.2189274200000000, 0.0000000000000000, -0.0196440100000000 ] - [ -0.0134000400000000, 0.0009008400000000, 0.0065600300000000 ] - [ -0.0134000400000000, -0.0009008400000000, 0.0065600300000000 ] - [ 0.2723815400000000, 0.0000000000000000, 0.0210398000000000 ] - [ -0.0005880200000000, -0.0001467700000000, 0.0105712200000000 ] - [ -0.0005880200000000, 0.0001467700000000, 0.0105712200000000 ] - [ -0.0079465500000000, 0.0000000000000000, 0.0057086200000000 ] - [ -0.0064824600000000, -0.0002145000000000, 0.0050426500000000 ] - [ -0.0064824600000000, 0.0002145000000000, 0.0050426500000000 ] - [ -0.0064065800000000, 0.0000000000000000, 0.0037038500000000 ] - [ -0.0064085700000000, -0.0001207300000000, 0.0045321600000000 ] - [ -0.0064085700000000, 0.0001207300000000, 0.0045321600000000 ] - [ -0.0075324600000000, 0.0000000000000000, 0.0033837300000000 ] - [ -0.0075620500000000, -0.0000885400000000, 0.0038922100000000 ] - [ -0.0075620500000000, 0.0000885400000000, 0.0038922100000000 ] - [ -0.0033818300000000, 0.0000000000000000, -0.0074761500000000 ] - [ -0.0061382000000000, -0.0015795200000000, 0.0036720200000000 ] - [ -0.0061382000000000, 0.0015795200000000, 0.0036720200000000 ] - [ -0.0069082000000000, 0.0000000000000000, 0.0027810500000000 ] - [ -0.0069756200000000, 0.0001451700000000, 0.0035851500000000 ] - [ -0.0069756200000000, -0.0001451700000000, 0.0035851500000000 ] - [ -0.0111063500000000, 0.0000000000000000, 0.0007630500000000 ] - [ -0.0091153100000000, 0.0005788200000000, 0.0027450200000000 ] - [ -0.0091153100000000, -0.0005788200000000, 0.0027450200000000 ] - [ -0.0071601500000000, 0.0000000000000000, 0.0030849100000000 ] - [ -0.0070306300000000, 0.0001667100000000, 0.0040062600000000 ] - [ -0.0070306300000000, -0.0001667100000000, 0.0040062600000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060999200000000, 0.0000191000000000, -0.0080945900000000 ] - [ -0.0072403900000000, 0.0000177600000000, 0.0080481600000000 ] - [ -0.0005371400000000, 0.0034568200000000, -0.0000624800000000 ] - [ 0.0056716600000000, -0.0004232100000000, 0.0066305800000000 ] - [ -0.0059913000000000, -0.0004300600000000, -0.0065793200000000 ] - [ -0.0001351700000000, 0.0034111500000000, 0.0000529000000000 ] - [ -0.0057923300000000, -0.0007085100000000, 0.0057804700000000 ] - [ 0.0055331500000000, -0.0007205000000000, -0.0051995700000000 ] - [ -0.0001543600000000, 0.0034785300000000, 0.0003069100000000 ] - [ 0.0054518000000000, 0.0020582000000000, -0.0022378600000000 ] - [ 0.0035165900000000, 0.0020621900000000, -0.0051692900000000 ] - [ 0.0044874300000000, -0.0041078600000000, -0.0037013500000000 ] - [ 0.0107873800000000, 0.0083348700000000, -0.0035445200000000 ] - [ 0.0085235800000000, 0.0084452300000000, -0.0033345500000000 ] - [ 0.0096466000000000, -0.0189803300000000, -0.0034408800000000 ] - [ 0.0029875200000000, 0.0575111200000000, -0.0103533600000000 ] - [ -0.0002230200000000, 0.0666524600000000, -0.0037155300000000 ] - [ 0.0013810700000000, -0.0491609200000000, -0.0072071200000000 ] - [ -0.0006472800000000, 0.0007307100000000, -0.0013016100000000 ] - [ -0.0006818100000000, -0.0003711200000000, -0.0030888100000000 ] - [ -0.0006117700000000, -0.0003709800000000, 0.0004789800000000 ] - [ 0.0019656000000000, 0.0016821600000000, 0.0002613700000000 ] - [ 0.0031706800000000, -0.0008219600000000, -0.0015768700000000 ] - [ 0.0007667500000000, -0.0008216900000000, 0.0020818900000000 ] - [ -0.0003733100000000, 0.0197585400000000, -0.0025500300000000 ] - [ -0.0020475600000000, -0.0127312200000000, -0.0232672800000000 ] - [ 0.0014050000000000, -0.0126576200000000, 0.0193128300000000 ] - [ 0.0019483200000000, 0.0022773400000000, 0.0000522600000000 ] - [ 0.0006067600000000, -0.0010578900000000, -0.0022894300000000 ] - [ 0.0032944000000000, -0.0010578400000000, 0.0023909400000000 ] - [ -0.0000441900000000, 0.0035834400000000, -0.0013153700000000 ] - [ -0.0004945600000000, -0.0017391800000000, -0.0057810400000000 ] - [ 0.0003926900000000, -0.0017434400000000, 0.0031256500000000 ] - [ 0.0022807900000000, 0.0002839800000000, -0.0000930400000000 ] - [ 0.0023012600000000, -0.0001340100000000, -0.0003583800000000 ] - [ 0.0022556800000000, -0.0001335900000000, 0.0001729800000000 ] - [ 0.0003467500000000, 0.0010683200000000, -0.0012548800000000 ] - [ 0.0005041400000000, -0.0007883700000000, -0.0040610300000000 ] - [ 0.0001827600000000, -0.0007952700000000, 0.0016020000000000 ] - [ -0.0005042400000000, 0.0006722400000000, -0.0019483700000000 ] - [ -0.0004454200000000, -0.0003361400000000, -0.0002408000000000 ] - [ -0.0005644600000000, -0.0003372100000000, -0.0036482400000000 ] - [ 0.0024824500000000, 0.0003199600000000, 0.0005389200000000 ] - [ 0.0025461800000000, -0.0001536700000000, 0.0008238300000000 ] - [ 0.0024162100000000, -0.0001535500000000, 0.0002543800000000 ] - [ -0.0004756000000000, 0.0001207200000000, -0.0011593200000000 ] - [ -0.0004157100000000, -0.0001862500000000, -0.0011011900000000 ] - [ -0.0005399700000000, -0.0001860400000000, -0.0012161900000000 ] - [ 0.0026056200000000, 0.0002959400000000, 0.0004411000000000 ] - [ 0.0025157100000000, -0.0001488100000000, 0.0002062700000000 ] - [ 0.0026971500000000, -0.0001484900000000, 0.0006764600000000 ] - [ 0.0001320700000000, 0.0002270900000000, -0.0015116700000000 ] - [ 0.0001388200000000, -0.0001139700000000, -0.0015047700000000 ] - [ 0.0001250800000000, -0.0001140800000000, -0.0015171400000000 ] - [ 0.0029379200000000, 0.0013458400000000, -0.0003503100000000 ] - [ 0.0044320300000000, -0.0005832000000000, 0.0017515100000000 ] - [ 0.0014386700000000, -0.0005853800000000, -0.0024449700000000 ] - [ -0.0002757000000000, 0.0011220300000000, -0.0014062800000000 ] - [ -0.0002271200000000, -0.0008125600000000, 0.0020581100000000 ] - [ -0.0003356000000000, -0.0008222600000000, -0.0048982300000000 ] - [ 0.0019315800000000, 0.0168869200000000, -0.0002688000000000 ] - [ 0.0190579000000000, -0.0113489300000000, -0.0007081200000000 ] - [ -0.0161753000000000, -0.0112882000000000, 0.0003486400000000 ] - [ 0.0005252600000000, 0.0164273500000000, 0.0000928100000000 ] - [ 0.0009326400000000, -0.0107533800000000, 0.0205091800000000 ] - [ -0.0000984200000000, -0.0106830800000000, -0.0214044000000000 ] - [ 0.0023552600000000, 0.0015226300000000, -0.0001743500000000 ] - [ 0.0009586000000000, -0.0008015700000000, 0.0019717600000000 ] - [ 0.0037419500000000, -0.0008037900000000, -0.0022941400000000 ] - [ -0.0001264500000000, 0.0023377000000000, -0.0020727000000000 ] - [ -0.0000602400000000, -0.0011545100000000, 0.0025364100000000 ] - [ -0.0001873100000000, -0.0011579000000000, -0.0066563800000000 ] - [ 0.0024316900000000, 0.0002776800000000, 0.0001849200000000 ] - [ 0.0023561100000000, -0.0001346700000000, 0.0005092000000000 ] - [ 0.0025069500000000, -0.0001346700000000, -0.0001383400000000 ] - [ 0.0018374400000000, 0.0212320800000000, 0.0003130200000000 ] - [ -0.0156702000000000, -0.0130672000000000, 0.0003409200000000 ] - [ 0.0205086200000000, -0.0130125200000000, 0.0001800900000000 ] - [ 0.0055442300000000, 0.0004629700000000, -0.0033276900000000 ] - [ 0.0055101000000000, 0.0004625500000000, -0.0036088200000000 ] - [ 0.0055271100000000, -0.0009282800000000, -0.0034684000000000 ] - [ 0.0046628900000000, 0.0004279800000000, -0.0035616200000000 ] - [ 0.0046374300000000, 0.0004276300000000, -0.0032533400000000 ] - [ 0.0046500700000000, -0.0008566500000000, -0.0034069900000000 ] - [ 0.0047793600000000, 0.0040442500000000, -0.0001777600000000 ] - [ 0.0051136400000000, 0.0040798700000000, -0.0049553400000000 ] - [ 0.0049466500000000, -0.0092853600000000, -0.0025853100000000 ] - [ 0.0069697100000000, 0.0020134500000000, -0.0014511500000000 ] - [ 0.0068764400000000, 0.0020211900000000, 0.0001076600000000 ] - [ 0.0069226300000000, -0.0040272900000000, -0.0006709900000000 ] - [ 0.0047360000000000, 0.0004749000000000, -0.0041945800000000 ] - [ 0.0047029300000000, 0.0004691200000000, -0.0044745900000000 ] - [ 0.0047197200000000, -0.0011189100000000, -0.0043340100000000 ] - [ 0.0052151800000000, 0.0004771100000000, -0.0041839400000000 ] - [ 0.0051883700000000, 0.0004744400000000, -0.0038179600000000 ] - [ 0.0052019000000000, -0.0011315700000000, -0.0040015100000000 ] - [ 0.0069476500000000, 0.0042457200000000, 0.0026797300000000 ] - [ 0.0068109000000000, 0.0043087000000000, 0.0060235300000000 ] - [ 0.0068762000000000, -0.0094703000000000, 0.0043721900000000 ] - [ -0.0146683300000000, -0.0001889000000000, -0.0156093400000000 ] - [ 0.0156809200000000, -0.0001918200000000, 0.0159567800000000 ] - [ 0.0004362100000000, 0.0079821000000000, 0.0001119000000000 ] - [ -0.0001523800000000, -0.0006497000000000, -0.0007277200000000 ] - [ -0.0004504700000000, -0.0006466000000000, 0.0009064300000000 ] - [ -0.0003015300000000, 0.0013013200000000, 0.0000915300000000 ] - [ -0.0003852400000000, -0.0002206600000000, -0.0001772400000000 ] - [ -0.0004058700000000, -0.0002193000000000, -0.0001586300000000 ] - [ -0.0003954200000000, 0.0004428200000000, -0.0001680500000000 ] - [ -0.0001717800000000, -0.0007466000000000, -0.0008052700000000 ] - [ 0.0000973500000000, -0.0007446400000000, 0.0009044300000000 ] - [ -0.0000367400000000, 0.0014715900000000, 0.0000507600000000 ] - [ -0.0005885100000000, -0.0002222800000000, 0.0000357800000000 ] - [ -0.0005746000000000, -0.0002216100000000, 0.0000459400000000 ] - [ -0.0005821900000000, 0.0004460000000000, 0.0000398300000000 ] - [ 0.0002951700000000, -0.0007074800000000, 0.0007581600000000 ] - [ -0.0001114900000000, -0.0007072600000000, -0.0006978300000000 ] - [ 0.0000916500000000, 0.0013943900000000, 0.0000280400000000 ] - [ -0.0008377500000000, -0.0007139300000000, 0.0005379500000000 ] - [ -0.0003811400000000, -0.0007150200000000, -0.0008591200000000 ] - [ -0.0006086900000000, 0.0014411600000000, -0.0001627300000000 ] - [ -0.0094548600000000, -0.0092732600000000, -0.0032083900000000 ] - [ -0.0075158200000000, 0.0048752300000000, -0.0211813200000000 ] - [ -0.0113559000000000, 0.0049170500000000, 0.0145164300000000 ] - [ -0.0112051000000000, -0.0184711200000000, 0.0051919700000000 ] - [ -0.0120893700000000, 0.0093070100000000, 0.0048914700000000 ] - [ -0.0103322700000000, 0.0093883200000000, 0.0054670800000000 ] - [ -0.0035255100000000, -0.3189589100000000, 0.0080669600000000 ] - [ -0.0035290500000000, 0.1268668700000000, 0.0080416600000000 ] - [ -0.0034213100000000, 0.1261864700000000, 0.0089164500000000 ] - [ -0.0059674400000000, -0.0047586400000000, 0.0049120500000000 ] - [ -0.0057921500000000, 0.0023878200000000, 0.0092466000000000 ] - [ -0.0061476700000000, 0.0023876200000000, 0.0005943000000000 ] - [ -0.0063961300000000, -0.0006736600000000, 0.0057739200000000 ] - [ -0.0063459900000000, 0.0005213100000000, 0.0070556600000000 ] - [ -0.0064439800000000, 0.0005195700000000, 0.0044693500000000 ] - [ -0.0075227700000000, -0.0007992600000000, 0.0047737400000000 ] - [ -0.0075197600000000, 0.0004039200000000, 0.0057972000000000 ] - [ -0.0075249400000000, 0.0004017700000000, 0.0037588300000000 ] - [ -0.0067682400000000, -0.0083201700000000, 0.0035880800000000 ] - [ -0.0078763000000000, 0.0043663200000000, 0.0189049900000000 ] - [ -0.0056387000000000, 0.0043905000000000, -0.0116053800000000 ] - [ -0.0069558700000000, -0.0007602500000000, 0.0044844800000000 ] - [ -0.0069202600000000, 0.0003817700000000, 0.0035735600000000 ] - [ -0.0069889100000000, 0.0003824300000000, 0.0053871400000000 ] - [ -0.0087673400000000, -0.0039440000000000, 0.0025124400000000 ] - [ -0.0091048700000000, 0.0019589600000000, -0.0022922200000000 ] - [ -0.0084205800000000, 0.0019638600000000, 0.0072909400000000 ] - [ -0.0070018700000000, -0.0006765600000000, 0.0051537400000000 ] - [ -0.0070959900000000, 0.0005166600000000, 0.0037680800000000 ] - [ -0.0069036100000000, 0.0005147300000000, 0.0065469400000000 ]- atom: 127 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0071971300000000, -0.0076674500000000, 0.0000958600000000 ] - [ -0.0071971300000000, 0.0076674500000000, 0.0000958600000000 ] - [ -0.0006313700000000, 0.0000000000000000, -0.0015886500000000 ] - [ 0.0070490900000000, 0.0075527900000000, -0.0006999700000000 ] - [ 0.0070490900000000, -0.0075527900000000, -0.0006999700000000 ] - [ 0.0001937000000000, 0.0000000000000000, -0.0013988800000000 ] - [ -0.0059181100000000, 0.0057208200000000, -0.0007579800000000 ] - [ -0.0059181100000000, -0.0057208200000000, -0.0007579800000000 ] - [ -0.0004121300000000, 0.0000000000000000, -0.0014550500000000 ] - [ 0.0038280400000000, 0.0045194400000000, -0.0042438500000000 ] - [ 0.0038280400000000, -0.0045194400000000, -0.0042438500000000 ] - [ 0.0045909100000000, 0.0000000000000000, -0.0036577400000000 ] - [ 0.0113808400000000, -0.0004307800000000, 0.0011118600000000 ] - [ 0.0113808400000000, 0.0004307800000000, 0.0011118600000000 ] - [ 0.0093563200000000, 0.0000000000000000, -0.0008674700000000 ] - [ 0.0021722900000000, -0.0078701400000000, 0.0112868000000000 ] - [ 0.0021722900000000, 0.0078701400000000, 0.0112868000000000 ] - [ 0.0018387700000000, 0.0000000000000000, -0.0034483900000000 ] - [ -0.0015669300000000, 0.0000000000000000, -0.0104424200000000 ] - [ -0.0007997700000000, -0.0007422400000000, -0.0053066900000000 ] - [ -0.0007997700000000, 0.0007422400000000, -0.0053066900000000 ] - [ 0.0158816000000000, 0.0000000000000000, -0.0070318400000000 ] - [ 0.0035500300000000, -0.0016836800000000, 0.0001757800000000 ] - [ 0.0035500300000000, 0.0016836800000000, 0.0001757800000000 ] - [ 0.0083020900000000, 0.0000000000000000, 0.0607802000000000 ] - [ 0.0003878100000000, -0.0021728500000000, 0.0078235000000000 ] - [ 0.0003878100000000, 0.0021728500000000, 0.0078235000000000 ] - [ -0.0128695100000000, 0.0000000000000000, -0.0111189900000000 ] - [ 0.0004957400000000, -0.0021361500000000, -0.0000783200000000 ] - [ 0.0004957400000000, 0.0021361500000000, -0.0000783200000000 ] - [ -0.0014036400000000, 0.0000000000000000, 0.0124762100000000 ] - [ -0.0016858400000000, -0.0018597000000000, 0.0055511500000000 ] - [ -0.0016858400000000, 0.0018597000000000, 0.0055511500000000 ] - [ 0.0026819700000000, 0.0000000000000000, -0.0039340900000000 ] - [ 0.0025061700000000, -0.0003060600000000, -0.0024478600000000 ] - [ 0.0025061700000000, 0.0003060600000000, -0.0024478600000000 ] - [ 0.0012605800000000, 0.0000000000000000, -0.0209090800000000 ] - [ 0.0002773700000000, -0.0020832200000000, -0.0077907100000000 ] - [ 0.0002773700000000, 0.0020832200000000, -0.0077907100000000 ] - [ -0.0002319000000000, 0.0000000000000000, -0.0110936200000000 ] - [ -0.0002407600000000, 0.0008825000000000, -0.0054171300000000 ] - [ -0.0002407600000000, -0.0008825000000000, -0.0054171300000000 ] - [ 0.0016144600000000, 0.0000000000000000, -0.0033365500000000 ] - [ 0.0020883400000000, 0.0004906000000000, -0.0017641400000000 ] - [ 0.0020883400000000, -0.0004906000000000, -0.0017641400000000 ] - [ -0.0005520400000000, 0.0000000000000000, -0.0130463000000000 ] - [ -0.0005237600000000, 0.0000519700000000, -0.0087892600000000 ] - [ -0.0005237600000000, -0.0000519700000000, -0.0087892600000000 ] - [ 0.0017031600000000, 0.0000000000000000, -0.0033061700000000 ] - [ 0.0021777800000000, -0.0003806300000000, -0.0019567000000000 ] - [ 0.0021777800000000, 0.0003806300000000, -0.0019567000000000 ] - [ 0.0000684000000000, 0.0000000000000000, -0.0108700100000000 ] - [ 0.0000852500000000, 0.0000308500000000, -0.0081275700000000 ] - [ 0.0000852500000000, -0.0000308500000000, -0.0081275700000000 ] - [ -0.0130619000000000, 0.0000000000000000, -0.0099238500000000 ] - [ 0.0010256600000000, 0.0019683500000000, -0.0002501100000000 ] - [ 0.0010256600000000, -0.0019683500000000, -0.0002501100000000 ] - [ -0.0001068400000000, 0.0000000000000000, -0.0262120800000000 ] - [ -0.0002042900000000, 0.0025540300000000, -0.0072676900000000 ] - [ -0.0002042900000000, -0.0025540300000000, -0.0072676900000000 ] - [ -0.0035077800000000, 0.0000000000000000, 0.0226228000000000 ] - [ 0.0016576900000000, -0.0000991400000000, 0.0027341400000000 ] - [ 0.0016576900000000, 0.0000991400000000, 0.0027341400000000 ] - [ 0.0261494000000000, 0.0000000000000000, 0.0599525300000000 ] - [ 0.0008785700000000, 0.0018029000000000, 0.0105578200000000 ] - [ 0.0008785700000000, -0.0018029000000000, 0.0105578200000000 ] - [ 0.0193669700000000, 0.0000000000000000, -0.0084787100000000 ] - [ 0.0041209500000000, 0.0020077700000000, 0.0002467000000000 ] - [ 0.0041209500000000, -0.0020077700000000, 0.0002467000000000 ] - [ -0.0002493700000000, 0.0000000000000000, 0.0137049400000000 ] - [ -0.0005002300000000, 0.0007849100000000, 0.0060105000000000 ] - [ -0.0005002300000000, -0.0007849100000000, 0.0060105000000000 ] - [ 0.0030626600000000, 0.0000000000000000, -0.0038818100000000 ] - [ 0.0025900000000000, 0.0003977200000000, -0.0020988500000000 ] - [ 0.0025900000000000, -0.0003977200000000, -0.0020988500000000 ] - [ 0.0030318600000000, 0.0000000000000000, 0.0261782900000000 ] - [ 0.0023943000000000, -0.0001650600000000, 0.0034616400000000 ] - [ 0.0023943000000000, 0.0001650600000000, 0.0034616400000000 ] - [ 0.0054371700000000, 0.0009951800000000, -0.0063115100000000 ] - [ 0.0054371700000000, -0.0009951800000000, -0.0063115100000000 ] - [ 0.0055044700000000, 0.0000000000000000, -0.0056476100000000 ] - [ 0.0046899000000000, -0.0011052100000000, -0.0062446400000000 ] - [ 0.0046899000000000, 0.0011052100000000, -0.0062446400000000 ] - [ 0.0046385500000000, 0.0000000000000000, -0.0054608700000000 ] - [ 0.0054313400000000, 0.0190721900000000, -0.0115568500000000 ] - [ 0.0054313400000000, -0.0190721900000000, -0.0115568500000000 ] - [ 0.0051317200000000, 0.0000000000000000, -0.0026984100000000 ] - [ 0.0072387300000000, -0.0053718000000000, -0.0007462500000000 ] - [ 0.0072387300000000, 0.0053718000000000, -0.0007462500000000 ] - [ 0.0070362300000000, 0.0000000000000000, -0.0002635600000000 ] - [ 0.0047492400000000, 0.0014609600000000, -0.0078105300000000 ] - [ 0.0047492400000000, -0.0014609600000000, -0.0078105300000000 ] - [ 0.0047700300000000, 0.0000000000000000, -0.0071062600000000 ] - [ 0.0051138800000000, -0.0018324500000000, -0.0076355200000000 ] - [ 0.0051138800000000, 0.0018324500000000, -0.0076355200000000 ] - [ 0.0050928600000000, 0.0000000000000000, -0.0066620200000000 ] - [ 0.0074884600000000, -0.0219093900000000, -0.0048934600000000 ] - [ 0.0074884600000000, 0.0219093900000000, -0.0048934600000000 ] - [ 0.0064040000000000, 0.0000000000000000, 0.0042146700000000 ] - [ 0.0162319300000000, -0.0165967300000000, -0.0016634100000000 ] - [ 0.0162319300000000, 0.0165967300000000, -0.0016634100000000 ] - [ 0.0007197600000000, 0.0000000000000000, -0.0029317700000000 ] - [ -0.0018979200000000, -0.0020625700000000, 0.0041526200000000 ] - [ -0.0018979200000000, 0.0020625700000000, 0.0041526200000000 ] - [ -0.0008334000000000, 0.0000000000000000, 0.0019689300000000 ] - [ -0.0003818800000000, 0.0000493900000000, 0.0037183800000000 ] - [ -0.0003818800000000, -0.0000493900000000, 0.0037183800000000 ] - [ -0.0004045100000000, 0.0000000000000000, 0.0029845400000000 ] - [ 0.0015398500000000, -0.0027445500000000, 0.0047894300000000 ] - [ 0.0015398500000000, 0.0027445500000000, 0.0047894300000000 ] - [ 0.0004836100000000, 0.0000000000000000, 0.0021500600000000 ] - [ -0.0005562300000000, 0.0000827200000000, 0.0040600000000000 ] - [ -0.0005562300000000, -0.0000827200000000, 0.0040600000000000 ] - [ -0.0005444100000000, 0.0000000000000000, 0.0032854200000000 ] - [ 0.0018402000000000, 0.0027391400000000, 0.0047733900000000 ] - [ 0.0018402000000000, -0.0027391400000000, 0.0047733900000000 ] - [ 0.0005973500000000, 0.0000000000000000, 0.0021120700000000 ] - [ -0.0025579600000000, 0.0029060000000000, 0.0043252900000000 ] - [ -0.0025579600000000, -0.0029060000000000, 0.0043252900000000 ] - [ -0.0012054200000000, 0.0000000000000000, 0.0017737200000000 ] - [ -0.0236815100000000, 0.0000000000000000, 0.1026984400000000 ] - [ -0.0089449700000000, -0.0169134300000000, -0.0058804300000000 ] - [ -0.0089449700000000, 0.0169134300000000, -0.0058804300000000 ] - [ -0.0351646300000000, 0.0000000000000000, -0.0273140700000000 ] - [ -0.0100591900000000, -0.0002961500000000, -0.0078460500000000 ] - [ -0.0100591900000000, 0.0002961500000000, -0.0078460500000000 ] - [ -0.0153937400000000, 0.0000000000000000, -0.2909412500000000 ] - [ -0.0055380500000000, 0.0003484300000000, -0.0099893100000000 ] - [ -0.0055380500000000, -0.0003484300000000, -0.0099893100000000 ] - [ -0.0067526700000000, 0.0000000000000000, 0.0044007200000000 ] - [ -0.0063143600000000, 0.0038691500000000, 0.0039722100000000 ] - [ -0.0063143600000000, -0.0038691500000000, 0.0039722100000000 ] - [ -0.0059778000000000, 0.0000000000000000, 0.0222933800000000 ] - [ -0.0061787200000000, 0.0011397800000000, 0.0151210000000000 ] - [ -0.0061787200000000, -0.0011397800000000, 0.0151210000000000 ] - [ -0.0071490100000000, 0.0000000000000000, 0.0169465000000000 ] - [ -0.0073335200000000, 0.0009053900000000, 0.0121199800000000 ] - [ -0.0073335200000000, -0.0009053900000000, 0.0121199800000000 ] - [ -0.0120326200000000, 0.0000000000000000, 0.0895104300000000 ] - [ -0.0065592200000000, 0.0133095800000000, 0.0024641700000000 ] - [ -0.0065592200000000, -0.0133095800000000, 0.0024641700000000 ] - [ -0.0070569300000000, 0.0000000000000000, 0.0166540700000000 ] - [ -0.0068618100000000, -0.0010531200000000, 0.0117118400000000 ] - [ -0.0068618100000000, 0.0010531200000000, 0.0117118400000000 ] - [ -0.0078460500000000, 0.0000000000000000, 0.0015165100000000 ] - [ -0.0088705200000000, -0.0044742700000000, 0.0000790800000000 ] - [ -0.0088705200000000, 0.0044742700000000, 0.0000790800000000 ] - [ -0.0061166300000000, 0.0000000000000000, 0.0227535300000000 ] - [ -0.0066667200000000, -0.0014348600000000, 0.0142564200000000 ] - [ -0.0066667200000000, 0.0014348600000000, 0.0142564200000000 ]- atom: 127 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ 0.0060505800000000, 0.0075834500000000, -0.0002131400000000 ] - [ 0.0060505800000000, -0.0075834500000000, -0.0002131400000000 ] - [ -0.0004369800000000, 0.0000000000000000, 0.0014578500000000 ] - [ -0.0073798000000000, -0.0076273800000000, 0.0008057000000000 ] - [ -0.0073798000000000, 0.0076273800000000, 0.0008057000000000 ] - [ -0.0004560300000000, 0.0000000000000000, 0.0015112900000000 ] - [ 0.0056531100000000, -0.0057529300000000, 0.0013845000000000 ] - [ 0.0056531100000000, 0.0057529300000000, 0.0013845000000000 ] - [ 0.0001013600000000, 0.0000000000000000, 0.0020750000000000 ] - [ 0.0051460900000000, -0.0045175800000000, -0.0031601700000000 ] - [ 0.0051460900000000, 0.0045175800000000, -0.0031601700000000 ] - [ 0.0043848500000000, 0.0000000000000000, -0.0037428300000000 ] - [ 0.0079039100000000, 0.0004025100000000, -0.0079930600000000 ] - [ 0.0079039100000000, -0.0004025100000000, -0.0079930600000000 ] - [ 0.0099185900000000, 0.0000000000000000, -0.0060192800000000 ] - [ 0.0005704200000000, 0.0091014800000000, -0.0258469500000000 ] - [ 0.0005704200000000, -0.0091014800000000, -0.0258469500000000 ] - [ 0.0009194000000000, 0.0000000000000000, -0.0110071900000000 ] - [ 0.0002790100000000, 0.0000000000000000, 0.0078340000000000 ] - [ -0.0004934700000000, 0.0007406200000000, 0.0026995600000000 ] - [ -0.0004934700000000, -0.0007406200000000, 0.0026995600000000 ] - [ -0.0118819400000000, 0.0000000000000000, 0.0074866100000000 ] - [ 0.0003868500000000, 0.0016768600000000, 0.0003361100000000 ] - [ 0.0003868500000000, -0.0016768600000000, 0.0003361100000000 ] - [ -0.0079750200000000, 0.0000000000000000, -0.0565598700000000 ] - [ -0.0010185600000000, 0.0021999700000000, -0.0117383000000000 ] - [ -0.0010185600000000, -0.0021999700000000, -0.0117383000000000 ] - [ 0.0168137400000000, 0.0000000000000000, 0.0111687000000000 ] - [ 0.0034052700000000, 0.0021271800000000, 0.0001879200000000 ] - [ 0.0034052700000000, -0.0021271800000000, 0.0001879200000000 ] - [ 0.0013502300000000, 0.0000000000000000, -0.0150610100000000 ] - [ 0.0015761900000000, 0.0018462100000000, -0.0081983900000000 ] - [ 0.0015761900000000, -0.0018462100000000, -0.0081983900000000 ] - [ 0.0018760500000000, 0.0000000000000000, 0.0037462700000000 ] - [ 0.0020511100000000, 0.0003057300000000, 0.0022625100000000 ] - [ 0.0020511100000000, -0.0003057300000000, 0.0022625100000000 ] - [ -0.0005696900000000, 0.0000000000000000, 0.0184771800000000 ] - [ 0.0004096700000000, 0.0020762400000000, 0.0053258500000000 ] - [ 0.0004096700000000, -0.0020762400000000, 0.0053258500000000 ] - [ -0.0007727400000000, 0.0000000000000000, 0.0071849100000000 ] - [ -0.0007694900000000, -0.0008836900000000, 0.0015244500000000 ] - [ -0.0007694900000000, 0.0008836900000000, 0.0015244500000000 ] - [ 0.0033495400000000, 0.0000000000000000, 0.0044140200000000 ] - [ 0.0028750200000000, -0.0004915500000000, 0.0028434700000000 ] - [ 0.0028750200000000, 0.0004915500000000, 0.0028434700000000 ] - [ -0.0004047300000000, 0.0000000000000000, 0.0107269600000000 ] - [ -0.0004318500000000, -0.0000518000000000, 0.0064726500000000 ] - [ -0.0004318500000000, 0.0000518000000000, 0.0064726500000000 ] - [ 0.0035167000000000, 0.0000000000000000, 0.0041867300000000 ] - [ 0.0030353200000000, 0.0003802500000000, 0.0028391700000000 ] - [ 0.0030353200000000, -0.0003802500000000, 0.0028391700000000 ] - [ 0.0001974400000000, 0.0000000000000000, 0.0078451300000000 ] - [ 0.0001787000000000, -0.0000307300000000, 0.0051055200000000 ] - [ 0.0001787000000000, 0.0000307300000000, 0.0051055200000000 ] - [ 0.0189496500000000, 0.0000000000000000, 0.0092768400000000 ] - [ 0.0048459700000000, -0.0019759600000000, -0.0004514300000000 ] - [ 0.0048459700000000, 0.0019759600000000, -0.0004514300000000 ] - [ -0.0004625000000000, 0.0000000000000000, 0.0233417100000000 ] - [ -0.0003598200000000, -0.0025589800000000, 0.0044245700000000 ] - [ -0.0003598200000000, 0.0025589800000000, 0.0044245700000000 ] - [ 0.0072547300000000, 0.0000000000000000, -0.0232187100000000 ] - [ 0.0011630900000000, 0.0001122800000000, -0.0030953900000000 ] - [ 0.0011630900000000, -0.0001122800000000, -0.0030953900000000 ] - [ -0.0270235200000000, 0.0000000000000000, -0.0694708700000000 ] - [ -0.0000434400000000, -0.0017739400000000, -0.0115208000000000 ] - [ -0.0000434400000000, 0.0017739400000000, -0.0115208000000000 ] - [ -0.0146357600000000, 0.0000000000000000, 0.0081876700000000 ] - [ 0.0005789700000000, -0.0020140800000000, -0.0005784500000000 ] - [ 0.0005789700000000, 0.0020140800000000, -0.0005784500000000 ] - [ 0.0000277200000000, 0.0000000000000000, -0.0179081500000000 ] - [ 0.0002509400000000, -0.0007870300000000, -0.0101420500000000 ] - [ 0.0002509400000000, 0.0007870300000000, -0.0101420500000000 ] - [ 0.0018038800000000, 0.0000000000000000, 0.0042519500000000 ] - [ 0.0022729500000000, -0.0003979000000000, 0.0024701500000000 ] - [ 0.0022729500000000, 0.0003979000000000, 0.0024701500000000 ] - [ 0.0008141900000000, 0.0000000000000000, -0.0255607200000000 ] - [ 0.0024465400000000, 0.0001793500000000, -0.0029345800000000 ] - [ 0.0024465400000000, -0.0001793500000000, -0.0029345800000000 ] - [ 0.0056170600000000, -0.0009969900000000, -0.0006264500000000 ] - [ 0.0056170600000000, 0.0009969900000000, -0.0006264500000000 ] - [ 0.0055497700000000, 0.0000000000000000, -0.0012884200000000 ] - [ 0.0046098300000000, 0.0011034500000000, -0.0005681100000000 ] - [ 0.0046098300000000, -0.0011034500000000, -0.0005681100000000 ] - [ 0.0046611700000000, 0.0000000000000000, -0.0013534900000000 ] - [ 0.0044637000000000, -0.0190608100000000, 0.0063208100000000 ] - [ 0.0044637000000000, 0.0190608100000000, 0.0063208100000000 ] - [ 0.0047608600000000, 0.0000000000000000, -0.0024490800000000 ] - [ 0.0066098100000000, 0.0053716100000000, -0.0005973200000000 ] - [ 0.0066098100000000, -0.0053716100000000, -0.0005973200000000 ] - [ 0.0068098500000000, 0.0000000000000000, -0.0010814600000000 ] - [ 0.0046892000000000, -0.0014630400000000, -0.0008601600000000 ] - [ 0.0046892000000000, 0.0014630400000000, -0.0008601600000000 ] - [ 0.0046687800000000, 0.0000000000000000, -0.0015634900000000 ] - [ 0.0052900700000000, 0.0018293600000000, -0.0003639800000000 ] - [ 0.0052900700000000, -0.0018293600000000, -0.0003639800000000 ] - [ 0.0053111300000000, 0.0000000000000000, -0.0013397000000000 ] - [ 0.0062582900000000, 0.0219215100000000, 0.0136986200000000 ] - [ 0.0062582900000000, -0.0219215100000000, 0.0136986200000000 ] - [ 0.0073524100000000, 0.0000000000000000, 0.0045073000000000 ] - [ -0.0152068800000000, 0.0164355400000000, 0.0018867600000000 ] - [ -0.0152068800000000, -0.0164355400000000, 0.0018867600000000 ] - [ 0.0001372300000000, 0.0000000000000000, 0.0031474300000000 ] - [ 0.0012895600000000, 0.0020587300000000, -0.0039633100000000 ] - [ 0.0012895600000000, -0.0020587300000000, -0.0039633100000000 ] - [ 0.0002307100000000, 0.0000000000000000, -0.0017895700000000 ] - [ -0.0004089000000000, -0.0000491100000000, -0.0040557800000000 ] - [ -0.0004089000000000, 0.0000491100000000, -0.0040557800000000 ] - [ -0.0003869800000000, 0.0000000000000000, -0.0033219300000000 ] - [ -0.0016081500000000, 0.0027415500000000, -0.0046812800000000 ] - [ -0.0016081500000000, -0.0027415500000000, -0.0046812800000000 ] - [ -0.0005575000000000, 0.0000000000000000, -0.0020526800000000 ] - [ -0.0006073900000000, -0.0000818900000000, -0.0039797600000000 ] - [ -0.0006073900000000, 0.0000818900000000, -0.0039797600000000 ] - [ -0.0006189000000000, 0.0000000000000000, -0.0032067600000000 ] - [ -0.0016640300000000, -0.0027437700000000, -0.0047270700000000 ] - [ -0.0016640300000000, 0.0027437700000000, -0.0047270700000000 ] - [ -0.0004148500000000, 0.0000000000000000, -0.0020540600000000 ] - [ 0.0013460800000000, -0.0029079600000000, -0.0046571400000000 ] - [ 0.0013460800000000, 0.0029079600000000, -0.0046571400000000 ] - [ -0.0000116300000000, 0.0000000000000000, -0.0020969800000000 ] - [ 0.0048467000000000, 0.0000000000000000, -0.1098924500000000 ] - [ -0.0099336600000000, 0.0169560900000000, -0.0007036100000000 ] - [ -0.0099336600000000, -0.0169560900000000, -0.0007036100000000 ] - [ 0.0126404000000000, 0.0000000000000000, 0.0376836400000000 ] - [ -0.0123070000000000, 0.0002858000000000, 0.0182124700000000 ] - [ -0.0123070000000000, -0.0002858000000000, 0.0182124700000000 ] - [ 0.0092193300000000, 0.0000000000000000, 0.3088966000000000 ] - [ -0.0013939800000000, -0.0005272000000000, 0.0269859300000000 ] - [ -0.0013939800000000, 0.0005272000000000, 0.0269859300000000 ] - [ -0.0052440600000000, 0.0000000000000000, 0.0054078000000000 ] - [ -0.0056228800000000, -0.0038649200000000, 0.0058645300000000 ] - [ -0.0056228800000000, 0.0038649200000000, 0.0058645300000000 ] - [ -0.0068129600000000, 0.0000000000000000, -0.0107566800000000 ] - [ -0.0066112700000000, -0.0011412600000000, -0.0035887400000000 ] - [ -0.0066112700000000, 0.0011412600000000, -0.0035887400000000 ] - [ -0.0078990900000000, 0.0000000000000000, -0.0073896000000000 ] - [ -0.0077119300000000, -0.0009034100000000, -0.0025657200000000 ] - [ -0.0077119300000000, 0.0009034100000000, -0.0025657200000000 ] - [ -0.0015484000000000, 0.0000000000000000, -0.0817748700000000 ] - [ -0.0069525100000000, -0.0132747100000000, 0.0047832200000000 ] - [ -0.0069525100000000, 0.0132747100000000, 0.0047832200000000 ] - [ -0.0068603100000000, 0.0000000000000000, -0.0076796100000000 ] - [ -0.0070498500000000, 0.0010525600000000, -0.0027494000000000 ] - [ -0.0070498500000000, -0.0010525600000000, -0.0027494000000000 ] - [ -0.0097116100000000, 0.0000000000000000, 0.0035372900000000 ] - [ -0.0086544600000000, 0.0044788300000000, 0.0049318200000000 ] - [ -0.0086544600000000, -0.0044788300000000, 0.0049318200000000 ] - [ -0.0078857900000000, 0.0000000000000000, -0.0124359300000000 ] - [ -0.0073321900000000, 0.0014343600000000, -0.0039445300000000 ] - [ -0.0073321900000000, -0.0014343600000000, -0.0039445300000000 ]- atom: 130 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ 0.0012753800000000, -0.0073386500000000, -0.0067935700000000 ] - [ 0.0012753800000000, 0.0073386500000000, -0.0067935700000000 ] - [ -0.0005874100000000, 0.0000000000000000, -0.0002254500000000 ] - [ -0.0002546000000000, 0.0000705000000000, 0.0001729800000000 ] - [ -0.0002546000000000, -0.0000705000000000, 0.0001729800000000 ] - [ -0.0001958900000000, 0.0000000000000000, 0.0001208900000000 ] - [ -0.0000454100000000, 0.0000756400000000, 0.0005257300000000 ] - [ -0.0000454100000000, -0.0000756400000000, 0.0005257300000000 ] - [ -0.0001064400000000, 0.0000000000000000, 0.0004212300000000 ] - [ 0.0232923000000000, 0.0056335300000000, -0.0029451400000000 ] - [ 0.0232923000000000, -0.0056335300000000, -0.0029451400000000 ] - [ 0.0049333000000000, 0.0000000000000000, -0.0033390000000000 ] - [ 0.0100469500000000, -0.0024870500000000, -0.0048993300000000 ] - [ 0.0100469500000000, 0.0024870500000000, -0.0048993300000000 ] - [ 0.0096136400000000, 0.0000000000000000, -0.0035227800000000 ] - [ 0.0009364700000000, -0.0002797000000000, -0.0071006200000000 ] - [ 0.0009364700000000, 0.0002797000000000, -0.0071006200000000 ] - [ 0.0013227900000000, 0.0000000000000000, -0.0071250600000000 ] - [ 0.0169820500000000, 0.0000000000000000, -0.0123122000000000 ] - [ 0.0000236000000000, 0.0000492500000000, -0.0003791100000000 ] - [ 0.0000236000000000, -0.0000492500000000, -0.0003791100000000 ] - [ 0.0803811800000000, 0.0000000000000000, -0.0059596800000000 ] - [ 0.0029138100000000, 0.0002554100000000, 0.0006539600000000 ] - [ 0.0029138100000000, -0.0002554100000000, 0.0006539600000000 ] - [ -0.0132413500000000, 0.0000000000000000, -0.0028466300000000 ] - [ -0.0009446900000000, 0.0001798600000000, -0.0010694400000000 ] - [ -0.0009446900000000, -0.0001798600000000, -0.0010694400000000 ] - [ -0.0385283600000000, 0.0000000000000000, -0.0014201100000000 ] - [ 0.0010764400000000, 0.0001753300000000, 0.0002421500000000 ] - [ 0.0010764400000000, -0.0001753300000000, 0.0002421500000000 ] - [ 0.0190522300000000, 0.0000000000000000, 0.0081654000000000 ] - [ 0.0004617500000000, 0.0007794700000000, -0.0007197600000000 ] - [ 0.0004617500000000, -0.0007794700000000, -0.0007197600000000 ] - [ 0.0021021500000000, 0.0000000000000000, -0.0002234900000000 ] - [ 0.0024912900000000, -0.0006673400000000, -0.0006380700000000 ] - [ 0.0024912900000000, 0.0006673400000000, -0.0006380700000000 ] - [ -0.0143427400000000, 0.0000000000000000, -0.0031554500000000 ] - [ -0.0003827000000000, -0.0005262700000000, -0.0009931100000000 ] - [ -0.0003827000000000, 0.0005262700000000, -0.0009931100000000 ] - [ -0.0004399000000000, 0.0000000000000000, -0.0029577200000000 ] - [ -0.0005166600000000, 0.0000058600000000, -0.0025724800000000 ] - [ -0.0005166600000000, -0.0000058600000000, -0.0025724800000000 ] - [ 0.0024451600000000, 0.0000000000000000, 0.0002398800000000 ] - [ 0.0024874300000000, -0.0000167000000000, 0.0003398500000000 ] - [ 0.0024874300000000, 0.0000167000000000, 0.0003398500000000 ] - [ -0.0006280700000000, 0.0000000000000000, -0.0022030500000000 ] - [ -0.0005597200000000, -0.0000772800000000, -0.0015957000000000 ] - [ -0.0005597200000000, 0.0000772800000000, -0.0015957000000000 ] - [ 0.0024750700000000, 0.0000000000000000, 0.0002959800000000 ] - [ 0.0024102500000000, 0.0002821600000000, 0.0008289300000000 ] - [ 0.0024102500000000, -0.0002821600000000, 0.0008289300000000 ] - [ 0.0005269900000000, 0.0000000000000000, -0.0030723500000000 ] - [ 0.0001919500000000, -0.0000831200000000, -0.0019392100000000 ] - [ 0.0001919500000000, 0.0000831200000000, -0.0019392100000000 ] - [ 0.0030513800000000, 0.0000000000000000, -0.0006658700000000 ] - [ 0.0030056300000000, 0.0000163900000000, -0.0005334800000000 ] - [ 0.0030056300000000, -0.0000163900000000, -0.0005334800000000 ] - [ -0.0002492300000000, 0.0000000000000000, -0.0021935500000000 ] - [ -0.0002791600000000, 0.0000008100000000, -0.0019437200000000 ] - [ -0.0002791600000000, -0.0000008100000000, -0.0019437200000000 ] - [ 0.0042262000000000, 0.0000000000000000, -0.0000462800000000 ] - [ 0.0018059900000000, -0.0000893700000000, 0.0001123100000000 ] - [ 0.0018059900000000, 0.0000893700000000, 0.0001123100000000 ] - [ 0.0002722300000000, 0.0000000000000000, -0.0012125500000000 ] - [ 0.0004309300000000, 0.0000285300000000, -0.0007393400000000 ] - [ 0.0004309300000000, -0.0000285300000000, -0.0007393400000000 ] - [ 0.0022901000000000, 0.0000000000000000, -0.0004311900000000 ] - [ 0.0022746800000000, 0.0000205200000000, -0.0003267000000000 ] - [ 0.0022746800000000, -0.0000205200000000, -0.0003267000000000 ] - [ 0.0004106600000000, 0.0000000000000000, -0.0048679100000000 ] - [ -0.0000645600000000, 0.0002562800000000, -0.0028091400000000 ] - [ -0.0000645600000000, -0.0002562800000000, -0.0028091400000000 ] - [ 0.0024801200000000, 0.0000000000000000, -0.0001093500000000 ] - [ 0.0024055300000000, -0.0000307500000000, -0.0000000200000000 ] - [ 0.0024055300000000, 0.0000307500000000, -0.0000000200000000 ] - [ 0.0008720900000000, 0.0000000000000000, -0.0001108200000000 ] - [ 0.0020329500000000, 0.0003050000000000, 0.0001502400000000 ] - [ 0.0020329500000000, -0.0003050000000000, 0.0001502400000000 ] - [ 0.0061744600000000, 0.0008524900000000, -0.0036653700000000 ] - [ 0.0061744600000000, -0.0008524900000000, -0.0036653700000000 ] - [ 0.0056601000000000, 0.0000000000000000, -0.0034115400000000 ] - [ 0.0046492200000000, 0.0001191900000000, -0.0036716900000000 ] - [ 0.0046492200000000, -0.0001191900000000, -0.0036716900000000 ] - [ 0.0046631900000000, 0.0000000000000000, -0.0036116300000000 ] - [ -0.0097081400000000, 0.0013609800000000, -0.0028451800000000 ] - [ -0.0097081400000000, -0.0013609800000000, -0.0028451800000000 ] - [ 0.0046633000000000, 0.0000000000000000, -0.0022918500000000 ] - [ 0.0068974900000000, -0.0001605900000000, -0.0009893100000000 ] - [ 0.0068974900000000, 0.0001605900000000, -0.0009893100000000 ] - [ 0.0069012900000000, 0.0000000000000000, -0.0009339900000000 ] - [ 0.0040752500000000, 0.0005329800000000, -0.0046859700000000 ] - [ 0.0040752500000000, -0.0005329800000000, -0.0046859700000000 ] - [ 0.0045987500000000, 0.0000000000000000, -0.0044229000000000 ] - [ 0.0051965000000000, 0.0000858300000000, -0.0042299900000000 ] - [ 0.0051965000000000, -0.0000858300000000, -0.0042299900000000 ] - [ 0.0051912200000000, 0.0000000000000000, -0.0041883400000000 ] - [ 0.0068869700000000, -0.0000935200000000, 0.0041917300000000 ] - [ 0.0068869700000000, 0.0000935200000000, 0.0041917300000000 ] - [ 0.0068808000000000, 0.0000000000000000, 0.0042251100000000 ] - [ 0.0072604900000000, 0.0123564500000000, 0.0093553600000000 ] - [ 0.0072604900000000, -0.0123564500000000, 0.0093553600000000 ] - [ 0.0006085300000000, 0.0000000000000000, -0.0002637200000000 ] - [ 0.0036042000000000, -0.0146587900000000, 0.0135630600000000 ] - [ 0.0036042000000000, 0.0146587900000000, 0.0135630600000000 ] - [ -0.0004026500000000, 0.0000000000000000, -0.0002314900000000 ] - [ -0.0003708400000000, -0.0001353900000000, 0.0002681800000000 ] - [ -0.0003708400000000, 0.0001353900000000, 0.0002681800000000 ] - [ -0.0004001200000000, 0.0000000000000000, 0.0000937400000000 ] - [ 0.0032797700000000, 0.0092550200000000, -0.0097349600000000 ] - [ 0.0032797700000000, -0.0092550200000000, -0.0097349600000000 ] - [ 0.0000380100000000, 0.0000000000000000, -0.0001811800000000 ] - [ -0.0006111100000000, -0.0001615100000000, 0.0002608800000000 ] - [ -0.0006111100000000, 0.0001615100000000, 0.0002608800000000 ] - [ -0.0005747300000000, 0.0000000000000000, 0.0001473400000000 ] - [ 0.0000670400000000, 0.0000063000000000, 0.0003616300000000 ] - [ 0.0000670400000000, -0.0000063000000000, 0.0003616300000000 ] - [ 0.0000651700000000, 0.0000000000000000, 0.0003034300000000 ] - [ -0.0005829200000000, -0.0000012700000000, 0.0001372200000000 ] - [ -0.0005829200000000, 0.0000012700000000, 0.0001372200000000 ] - [ -0.0005794300000000, 0.0000000000000000, 0.0000846800000000 ] - [ -0.0096204200000000, 0.0000000000000000, -0.0021743000000000 ] - [ -0.0094764200000000, -0.0000807000000000, -0.0026706600000000 ] - [ -0.0094764200000000, 0.0000807000000000, -0.0026706600000000 ] - [ -0.0151635200000000, 0.0000000000000000, 0.0164964100000000 ] - [ -0.0118276800000000, -0.0016992800000000, 0.0053473000000000 ] - [ -0.0118276800000000, 0.0016992800000000, 0.0053473000000000 ] - [ -0.0015258400000000, 0.0000000000000000, 0.0076868200000000 ] - [ -0.0029512200000000, -0.0001689200000000, 0.0081393600000000 ] - [ -0.0029512200000000, 0.0001689200000000, 0.0081393600000000 ] - [ -0.2284955900000000, 0.0000000000000000, -0.0095223700000000 ] - [ -0.0070014900000000, -0.0022495100000000, 0.0036015900000000 ] - [ -0.0070014900000000, 0.0022495100000000, 0.0036015900000000 ] - [ -0.0054420100000000, 0.0000000000000000, 0.0077464100000000 ] - [ -0.0056457200000000, 0.0004840900000000, 0.0060912900000000 ] - [ -0.0056457200000000, -0.0004840900000000, 0.0060912900000000 ] - [ -0.0084986800000000, 0.0000000000000000, 0.0072366700000000 ] - [ -0.0082597500000000, 0.0005845400000000, 0.0045364900000000 ] - [ -0.0082597500000000, -0.0005845400000000, 0.0045364900000000 ] - [ 0.1293943000000000, 0.0000000000000000, 0.0092831000000000 ] - [ -0.0057193700000000, 0.0016084800000000, 0.0025115300000000 ] - [ -0.0057193700000000, -0.0016084800000000, 0.0025115300000000 ] - [ -0.0070503100000000, 0.0000000000000000, 0.0058264400000000 ] - [ -0.0069662300000000, 0.0000914200000000, 0.0051856100000000 ] - [ -0.0069662300000000, -0.0000914200000000, 0.0051856100000000 ] - [ -0.0086586400000000, 0.0000000000000000, 0.0041309500000000 ] - [ -0.0087134700000000, -0.0001133100000000, 0.0034192900000000 ] - [ -0.0087134700000000, 0.0001133100000000, 0.0034192900000000 ] - [ -0.0070001700000000, 0.0000000000000000, 0.0061370300000000 ] - [ -0.0069581200000000, 0.0000688000000000, 0.0057906000000000 ] - [ -0.0069581200000000, -0.0000688000000000, 0.0057906000000000 ]- atom: 130 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0023468400000000, 0.0072492000000000, 0.0065879400000000 ] - [ -0.0023468400000000, -0.0072492000000000, 0.0065879400000000 ] - [ -0.0004879800000000, 0.0000000000000000, 0.0000953000000000 ] - [ -0.0000155400000000, -0.0000698200000000, -0.0000568400000000 ] - [ -0.0000155400000000, 0.0000698200000000, -0.0000568400000000 ] - [ -0.0000718400000000, 0.0000000000000000, -0.0000039900000000 ] - [ -0.0002631100000000, -0.0000753700000000, 0.0000947200000000 ] - [ -0.0002631100000000, 0.0000753700000000, 0.0000947200000000 ] - [ -0.0002041300000000, 0.0000000000000000, 0.0001989300000000 ] - [ -0.0140266200000000, -0.0052146500000000, -0.0044772600000000 ] - [ -0.0140266200000000, 0.0052146500000000, -0.0044772600000000 ] - [ 0.0040473400000000, 0.0000000000000000, -0.0040570300000000 ] - [ 0.0092177200000000, 0.0024510400000000, -0.0020080000000000 ] - [ 0.0092177200000000, -0.0024510400000000, -0.0020080000000000 ] - [ 0.0096566000000000, 0.0000000000000000, -0.0033715000000000 ] - [ 0.0018223800000000, 0.0002963500000000, -0.0073166600000000 ] - [ 0.0018223800000000, -0.0002963500000000, -0.0073166600000000 ] - [ 0.0014354700000000, 0.0000000000000000, -0.0073020300000000 ] - [ -0.0179380700000000, 0.0000000000000000, 0.0093646200000000 ] - [ -0.0013261900000000, -0.0000397800000000, -0.0021964800000000 ] - [ -0.0013261900000000, 0.0000397800000000, -0.0021964800000000 ] - [ -0.0664952700000000, 0.0000000000000000, 0.0063742700000000 ] - [ 0.0010977300000000, -0.0002366700000000, -0.0001387000000000 ] - [ 0.0010977300000000, 0.0002366700000000, -0.0001387000000000 ] - [ 0.0127241200000000, 0.0000000000000000, -0.0010163600000000 ] - [ 0.0003066200000000, -0.0001912600000000, -0.0028745300000000 ] - [ 0.0003066200000000, 0.0001912600000000, -0.0028745300000000 ] - [ 0.0409296600000000, 0.0000000000000000, 0.0017613600000000 ] - [ 0.0028057400000000, -0.0001908100000000, -0.0001263600000000 ] - [ 0.0028057400000000, 0.0001908100000000, -0.0001263600000000 ] - [ -0.0187660700000000, 0.0000000000000000, -0.0107053200000000 ] - [ -0.0005786100000000, -0.0007688900000000, -0.0019597500000000 ] - [ -0.0005786100000000, 0.0007688900000000, -0.0019597500000000 ] - [ 0.0025211700000000, 0.0000000000000000, 0.0000550900000000 ] - [ 0.0020763100000000, 0.0006639600000000, 0.0004496500000000 ] - [ 0.0020763100000000, -0.0006639600000000, 0.0004496500000000 ] - [ 0.0151425800000000, 0.0000000000000000, 0.0006269500000000 ] - [ 0.0010710700000000, 0.0005132700000000, -0.0014824300000000 ] - [ 0.0010710700000000, -0.0005132700000000, -0.0014824300000000 ] - [ -0.0005682900000000, 0.0000000000000000, -0.0009406200000000 ] - [ -0.0004948000000000, -0.0000048300000000, -0.0013213900000000 ] - [ -0.0004948000000000, 0.0000048300000000, -0.0013213900000000 ] - [ 0.0025220000000000, 0.0000000000000000, 0.0008386200000000 ] - [ 0.0024780600000000, 0.0000173100000000, 0.0007378100000000 ] - [ 0.0024780600000000, -0.0000173100000000, 0.0007378100000000 ] - [ -0.0003178900000000, 0.0000000000000000, -0.0001161900000000 ] - [ -0.0003956900000000, 0.0000765300000000, -0.0007273900000000 ] - [ -0.0003956900000000, -0.0000765300000000, -0.0007273900000000 ] - [ 0.0027240600000000, 0.0000000000000000, 0.0005746100000000 ] - [ 0.0027931600000000, -0.0002898300000000, 0.0000454000000000 ] - [ 0.0027931600000000, 0.0002898300000000, 0.0000454000000000 ] - [ -0.0002550600000000, 0.0000000000000000, 0.0000733700000000 ] - [ 0.0000704700000000, 0.0000859900000000, -0.0010793800000000 ] - [ 0.0000704700000000, -0.0000859900000000, -0.0010793800000000 ] - [ 0.0028295300000000, 0.0000000000000000, -0.0000362500000000 ] - [ 0.0028674800000000, -0.0000159600000000, -0.0001673400000000 ] - [ 0.0028674800000000, 0.0000159600000000, -0.0001673400000000 ] - [ -0.0003123900000000, 0.0000000000000000, -0.0006365500000000 ] - [ -0.0002849000000000, -0.0000004200000000, -0.0008876200000000 ] - [ -0.0002849000000000, 0.0000004200000000, -0.0008876200000000 ] - [ -0.0013075600000000, 0.0000000000000000, -0.0003037200000000 ] - [ 0.0010372400000000, 0.0000874400000000, -0.0004748900000000 ] - [ 0.0010372400000000, -0.0000874400000000, -0.0004748900000000 ] - [ 0.0005773900000000, 0.0000000000000000, 0.0003289400000000 ] - [ 0.0004069500000000, -0.0000297900000000, -0.0001609200000000 ] - [ 0.0004069500000000, 0.0000297900000000, -0.0001609200000000 ] - [ 0.0024027800000000, 0.0000000000000000, 0.0001003100000000 ] - [ 0.0024196600000000, -0.0000200800000000, -0.0000048100000000 ] - [ 0.0024196600000000, 0.0000200800000000, -0.0000048100000000 ] - [ -0.0006446500000000, 0.0000000000000000, 0.0006721900000000 ] - [ -0.0001866200000000, -0.0002526800000000, -0.0013214500000000 ] - [ -0.0001866200000000, 0.0002526800000000, -0.0013214500000000 ] - [ 0.0023803400000000, 0.0000000000000000, 0.0004803400000000 ] - [ 0.0024525100000000, 0.0000313700000000, 0.0003703200000000 ] - [ 0.0024525100000000, -0.0000313700000000, 0.0003703200000000 ] - [ 0.0039480700000000, 0.0000000000000000, 0.0006518800000000 ] - [ 0.0027813300000000, -0.0003078900000000, 0.0003760400000000 ] - [ 0.0027813300000000, 0.0003078900000000, 0.0003760400000000 ] - [ 0.0048695800000000, -0.0008809300000000, -0.0032609200000000 ] - [ 0.0048695800000000, 0.0008809300000000, -0.0032609200000000 ] - [ 0.0053920400000000, 0.0000000000000000, -0.0035196100000000 ] - [ 0.0046495800000000, -0.0001221800000000, -0.0031419600000000 ] - [ 0.0046495800000000, 0.0001221800000000, -0.0031419600000000 ] - [ 0.0046358300000000, 0.0000000000000000, -0.0032022600000000 ] - [ 0.0197142400000000, -0.0012956400000000, -0.0023116100000000 ] - [ 0.0197142400000000, 0.0012956400000000, -0.0023116100000000 ] - [ 0.0052494100000000, 0.0000000000000000, -0.0028666200000000 ] - [ 0.0069468800000000, 0.0001542900000000, -0.0003582600000000 ] - [ 0.0069468800000000, -0.0001542900000000, -0.0003582600000000 ] - [ 0.0069434800000000, 0.0000000000000000, -0.0004122400000000 ] - [ 0.0053662500000000, -0.0005254900000000, -0.0039954200000000 ] - [ 0.0053662500000000, 0.0005254900000000, -0.0039954200000000 ] - [ 0.0048413500000000, 0.0000000000000000, -0.0042488000000000 ] - [ 0.0052071200000000, -0.0000877200000000, -0.0037707300000000 ] - [ 0.0052071200000000, 0.0000877200000000, -0.0037707300000000 ] - [ 0.0052125500000000, 0.0000000000000000, -0.0038125100000000 ] - [ 0.0068665000000000, 0.0000927600000000, 0.0045431900000000 ] - [ 0.0068665000000000, -0.0000927600000000, 0.0045431900000000 ] - [ 0.0068725600000000, 0.0000000000000000, 0.0045094700000000 ] - [ -0.0063641000000000, -0.0125317600000000, -0.0093040800000000 ] - [ -0.0063641000000000, 0.0125317600000000, -0.0093040800000000 ] - [ 0.0002663100000000, 0.0000000000000000, 0.0004793100000000 ] - [ -0.0042252500000000, 0.0145153300000000, -0.0132452300000000 ] - [ -0.0042252500000000, -0.0145153300000000, -0.0132452300000000 ] - [ -0.0002118000000000, 0.0000000000000000, 0.0004047000000000 ] - [ -0.0004262200000000, 0.0001386700000000, -0.0006046300000000 ] - [ -0.0004262200000000, -0.0001386700000000, -0.0006046300000000 ] - [ -0.0003951800000000, 0.0000000000000000, -0.0004295300000000 ] - [ -0.0033061100000000, -0.0094181800000000, 0.0099813800000000 ] - [ -0.0033061100000000, 0.0094181800000000, 0.0099813800000000 ] - [ -0.0001004000000000, 0.0000000000000000, 0.0002759300000000 ] - [ -0.0005467900000000, 0.0001632900000000, -0.0001767500000000 ] - [ -0.0005467900000000, -0.0001632900000000, -0.0001767500000000 ] - [ -0.0005857100000000, 0.0000000000000000, -0.0000659600000000 ] - [ 0.0001108800000000, -0.0000049300000000, -0.0003027800000000 ] - [ 0.0001108800000000, 0.0000049300000000, -0.0003027800000000 ] - [ 0.0001135500000000, 0.0000000000000000, -0.0002436500000000 ] - [ -0.0006305200000000, 0.0000028000000000, -0.0004605200000000 ] - [ -0.0006305200000000, -0.0000028000000000, -0.0004605200000000 ] - [ -0.0006340800000000, 0.0000000000000000, -0.0004069700000000 ] - [ -0.0092572900000000, 0.0000000000000000, -0.0044559800000000 ] - [ -0.0093975500000000, 0.0000802400000000, -0.0039501600000000 ] - [ -0.0093975500000000, -0.0000802400000000, -0.0039501600000000 ] - [ -0.0072210700000000, 0.0000000000000000, -0.0059700200000000 ] - [ -0.0105380500000000, 0.0016816500000000, 0.0050374600000000 ] - [ -0.0105380500000000, -0.0016816500000000, 0.0050374600000000 ] - [ -0.0054406400000000, 0.0000000000000000, 0.0091907600000000 ] - [ -0.0039788500000000, 0.0001855500000000, 0.0088280300000000 ] - [ -0.0039788500000000, -0.0001855500000000, 0.0088280300000000 ] - [ 0.2074997100000000, 0.0000000000000000, 0.0195206300000000 ] - [ -0.0049005500000000, 0.0021095700000000, 0.0062243700000000 ] - [ -0.0049005500000000, -0.0021095700000000, 0.0062243700000000 ] - [ -0.0073875900000000, 0.0000000000000000, 0.0038668300000000 ] - [ -0.0071490200000000, -0.0004773100000000, 0.0054514600000000 ] - [ -0.0071490200000000, 0.0004773100000000, 0.0054514600000000 ] - [ -0.0065253600000000, 0.0000000000000000, 0.0021573600000000 ] - [ -0.0067850400000000, -0.0005943700000000, 0.0050013700000000 ] - [ -0.0067850400000000, 0.0005943700000000, 0.0050013700000000 ] - [ -0.1442821500000000, 0.0000000000000000, -0.0021084100000000 ] - [ -0.0078327300000000, -0.0015260700000000, 0.0047601100000000 ] - [ -0.0078327300000000, 0.0015260700000000, 0.0047601100000000 ] - [ -0.0068657800000000, 0.0000000000000000, 0.0031331000000000 ] - [ -0.0069438500000000, -0.0000943000000000, 0.0037765000000000 ] - [ -0.0069438500000000, 0.0000943000000000, 0.0037765000000000 ] - [ -0.0088698100000000, 0.0000000000000000, 0.0008981600000000 ] - [ -0.0088097400000000, 0.0001096300000000, 0.0015930100000000 ] - [ -0.0088097400000000, -0.0001096300000000, 0.0015930100000000 ] - [ -0.0070026500000000, 0.0000000000000000, 0.0041704800000000 ] - [ -0.0070417600000000, -0.0000698000000000, 0.0045207500000000 ] - [ -0.0070417600000000, 0.0000698000000000, 0.0045207500000000 ]- atom: 130 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0071859500000000, 0.0005916400000000, 0.0059588400000000 ] - [ 0.0061931200000000, 0.0005632100000000, -0.0061452200000000 ] - [ -0.0005334700000000, 0.0029060400000000, -0.0000711500000000 ] - [ -0.0001921900000000, -0.0002729000000000, 0.0003326200000000 ] - [ -0.0000743900000000, -0.0002764200000000, -0.0002148600000000 ] - [ -0.0001325800000000, 0.0005497700000000, 0.0000565900000000 ] - [ -0.0000971700000000, -0.0002794600000000, 0.0006018000000000 ] - [ -0.0002102900000000, -0.0002822100000000, 0.0000201600000000 ] - [ -0.0001547000000000, 0.0005572100000000, 0.0003092600000000 ] - [ 0.0051664900000000, 0.0068998300000000, -0.0036487900000000 ] - [ 0.0035159600000000, 0.0118138500000000, -0.0035532600000000 ] - [ 0.0044824600000000, -0.0327377000000000, -0.0036945900000000 ] - [ 0.0099910800000000, 0.0036205100000000, -0.0051228900000000 ] - [ 0.0092791800000000, 0.0037057200000000, -0.0018011100000000 ] - [ 0.0096342800000000, -0.0077069200000000, -0.0034379000000000 ] - [ 0.0008975900000000, 0.0019072200000000, -0.0082246300000000 ] - [ 0.0018666800000000, 0.0019304100000000, -0.0062008000000000 ] - [ 0.0013795900000000, -0.0038227900000000, -0.0072130400000000 ] - [ -0.0006476300000000, 0.0173070800000000, -0.0015770900000000 ] - [ -0.0004606200000000, -0.0093632800000000, -0.0165531300000000 ] - [ -0.0008333700000000, -0.0092888200000000, 0.0138838700000000 ] - [ 0.0016600700000000, 0.0221982200000000, 0.0002723300000000 ] - [ -0.0116246400000000, -0.0096487400000000, -0.0008581700000000 ] - [ 0.0155624300000000, -0.0095892700000000, 0.0013719800000000 ] - [ -0.0003035200000000, 0.0029375500000000, -0.0019949200000000 ] - [ -0.0002924000000000, -0.0014266000000000, 0.0011793900000000 ] - [ -0.0003413600000000, -0.0014345300000000, -0.0051205100000000 ] - [ 0.0022422200000000, 0.0177220700000000, 0.0000383800000000 ] - [ 0.0129548700000000, -0.0090726400000000, -0.0005048700000000 ] - [ -0.0089649100000000, -0.0090194500000000, 0.0006167500000000 ] - [ 0.0000074600000000, 0.0181512800000000, -0.0010491500000000 ] - [ 0.0019219900000000, -0.0088372500000000, 0.0138635300000000 ] - [ -0.0020164000000000, -0.0087709500000000, -0.0164684400000000 ] - [ 0.0022890400000000, 0.0018074600000000, -0.0000851400000000 ] - [ 0.0011249200000000, -0.0008710000000000, -0.0016762500000000 ] - [ 0.0034307700000000, -0.0008755000000000, 0.0014834500000000 ] - [ 0.0003585300000000, 0.0031955500000000, -0.0012067400000000 ] - [ -0.0001664700000000, -0.0015533000000000, -0.0045044900000000 ] - [ 0.0008546100000000, -0.0015587700000000, 0.0020350100000000 ] - [ -0.0005033000000000, 0.0001207500000000, -0.0019510300000000 ] - [ -0.0004425300000000, -0.0001713400000000, -0.0019125600000000 ] - [ -0.0005679300000000, -0.0001729000000000, -0.0019857700000000 ] - [ 0.0024813000000000, 0.0002301000000000, 0.0005385400000000 ] - [ 0.0024106700000000, -0.0001157300000000, 0.0003381300000000 ] - [ 0.0025541400000000, -0.0001164500000000, 0.0007381700000000 ] - [ -0.0004773100000000, 0.0006385600000000, -0.0011539300000000 ] - [ -0.0005090300000000, -0.0003216200000000, -0.0026162900000000 ] - [ -0.0004463900000000, -0.0003228300000000, 0.0002916800000000 ] - [ 0.0026021900000000, 0.0019777500000000, 0.0004459300000000 ] - [ 0.0034213300000000, -0.0009817400000000, -0.0010470600000000 ] - [ 0.0017932900000000, -0.0009834200000000, 0.0019195000000000 ] - [ 0.0001347000000000, 0.0010213100000000, -0.0015153100000000 ] - [ 0.0002066900000000, -0.0006625700000000, -0.0038100900000000 ] - [ 0.0000568800000000, -0.0006702600000000, 0.0007836300000000 ] - [ 0.0029368500000000, 0.0001678500000000, -0.0003527100000000 ] - [ 0.0028806700000000, -0.0000817300000000, -0.0000716500000000 ] - [ 0.0029921200000000, -0.0000825000000000, -0.0006297900000000 ] - [ -0.0002816300000000, 0.0001910900000000, -0.0014193000000000 ] - [ -0.0002940200000000, -0.0000967300000000, -0.0013342700000000 ] - [ -0.0002694400000000, -0.0000978100000000, -0.0015009000000000 ] - [ 0.0014351700000000, 0.0013485300000000, -0.0001985000000000 ] - [ 0.0003678000000000, -0.0006826500000000, 0.0014217500000000 ] - [ 0.0024648900000000, -0.0006870700000000, -0.0017769600000000 ] - [ 0.0004204600000000, 0.0004702800000000, -0.0004634600000000 ] - [ 0.0004154100000000, -0.0002362800000000, 0.0012169800000000 ] - [ 0.0004227700000000, -0.0002382500000000, -0.0021208900000000 ] - [ 0.0023487400000000, 0.0001709100000000, -0.0001677800000000 ] - [ 0.0024031700000000, -0.0000831200000000, 0.0001045200000000 ] - [ 0.0022929400000000, -0.0000839400000000, -0.0004357800000000 ] - [ -0.0001215100000000, 0.0009252500000000, -0.0020783900000000 ] - [ -0.0001294900000000, -0.0006119900000000, 0.0010293400000000 ] - [ -0.0001209200000000, -0.0006225200000000, -0.0051558600000000 ] - [ 0.0024323400000000, 0.0002468900000000, 0.0001850800000000 ] - [ 0.0024497500000000, -0.0001190400000000, -0.0000138500000000 ] - [ 0.0024101100000000, -0.0001198900000000, 0.0003829600000000 ] - [ 0.0024077300000000, 0.0014067000000000, 0.0002551200000000 ] - [ 0.0033761400000000, -0.0006793200000000, 0.0017699500000000 ] - [ 0.0014499700000000, -0.0006847900000000, -0.0012377000000000 ] - [ 0.0056938900000000, 0.0033702500000000, -0.0018201500000000 ] - [ 0.0053563300000000, 0.0034140400000000, -0.0051024800000000 ] - [ 0.0055268500000000, -0.0074081600000000, -0.0034784200000000 ] - [ 0.0046571500000000, 0.0003908000000000, -0.0032886100000000 ] - [ 0.0046426600000000, 0.0003913100000000, -0.0035272000000000 ] - [ 0.0046499400000000, -0.0009222900000000, -0.0034078700000000 ] - [ 0.0054961900000000, 0.0058706600000000, -0.0026512500000000 ] - [ 0.0044579300000000, 0.0059794600000000, -0.0024966600000000 ] - [ 0.0049526500000000, -0.0128738500000000, -0.0025782200000000 ] - [ 0.0069251100000000, 0.0004454100000000, -0.0007918900000000 ] - [ 0.0069196000000000, 0.0004503700000000, -0.0005565600000000 ] - [ 0.0069222900000000, -0.0010594000000000, -0.0006736400000000 ] - [ 0.0047995300000000, 0.0016959800000000, -0.0028087600000000 ] - [ 0.0046413400000000, 0.0017092300000000, -0.0058685800000000 ] - [ 0.0047200700000000, -0.0033972200000000, -0.0043366100000000 ] - [ 0.0052175700000000, 0.0003891400000000, -0.0038928300000000 ] - [ 0.0051866100000000, 0.0003925100000000, -0.0041079300000000 ] - [ 0.0052020600000000, -0.0007880200000000, -0.0040008700000000 ] - [ 0.0068886500000000, 0.0004152900000000, 0.0042903900000000 ] - [ 0.0068661000000000, 0.0004204800000000, 0.0044414900000000 ] - [ 0.0068773100000000, -0.0008390700000000, 0.0043665400000000 ] - [ 0.0158548600000000, 0.0011954900000000, 0.0138326000000000 ] - [ -0.0151681800000000, 0.0011704700000000, -0.0137921900000000 ] - [ 0.0004267100000000, 0.0061101000000000, 0.0001007500000000 ] - [ -0.0138896900000000, 0.0011766100000000, -0.0137803800000000 ] - [ 0.0134489400000000, 0.0011351700000000, 0.0140746700000000 ] - [ -0.0002974500000000, 0.0061432600000000, 0.0000948100000000 ] - [ -0.0004732700000000, -0.0005856500000000, -0.0008573300000000 ] - [ -0.0003200700000000, -0.0005900200000000, 0.0005214800000000 ] - [ -0.0003959300000000, 0.0011731800000000, -0.0001652100000000 ] - [ 0.0124086100000000, 0.0002661600000000, -0.0131377500000000 ] - [ -0.0126286200000000, 0.0002521100000000, 0.0133877200000000 ] - [ -0.0000407600000000, 0.0053590900000000, 0.0000538600000000 ] - [ -0.0005048100000000, -0.0005377600000000, -0.0006572500000000 ] - [ -0.0006560000000000, -0.0005410900000000, 0.0007402300000000 ] - [ -0.0005817100000000, 0.0010790100000000, 0.0000434100000000 ] - [ 0.0000849700000000, -0.0001923900000000, 0.0000288300000000 ] - [ 0.0000942600000000, -0.0001936900000000, 0.0000321700000000 ] - [ 0.0000899800000000, 0.0003861000000000, 0.0000307200000000 ] - [ -0.0005997500000000, -0.0001894900000000, -0.0001622200000000 ] - [ -0.0006152800000000, -0.0001910800000000, -0.0001586200000000 ] - [ -0.0006069300000000, 0.0003871000000000, -0.0001603100000000 ] - [ -0.0094379900000000, -0.0007386500000000, -0.0032999000000000 ] - [ -0.0093322000000000, 0.0003676800000000, -0.0043871600000000 ] - [ -0.0095411100000000, 0.0003719400000000, -0.0022283600000000 ] - [ -0.0111911400000000, -0.0077634200000000, 0.0053221200000000 ] - [ -0.0100165800000000, 0.0039978400000000, -0.0075614500000000 ] - [ -0.0123439400000000, 0.0040597000000000, 0.0178770400000000 ] - [ -0.0034736100000000, -0.0047593100000000, 0.0085113200000000 ] - [ -0.0036810100000000, 0.0023792800000000, 0.0046167100000000 ] - [ -0.0032473700000000, 0.0023945700000000, 0.0123507000000000 ] - [ -0.0056023500000000, -0.1754132000000000, 0.0046734000000000 ] - [ -0.0037968700000000, 0.0813125400000000, 0.0042806900000000 ] - [ -0.0081573000000000, 0.0807599900000000, 0.0055396800000000 ] - [ -0.0064002400000000, -0.0043516400000000, 0.0057523500000000 ] - [ -0.0062360500000000, 0.0021969500000000, 0.0092437200000000 ] - [ -0.0065572400000000, 0.0022028900000000, 0.0022972900000000 ] - [ -0.0075254800000000, -0.0064865800000000, 0.0047076000000000 ] - [ -0.0073971300000000, 0.0034246900000000, 0.0162797900000000 ] - [ -0.0076459000000000, 0.0034586300000000, -0.0066674500000000 ] - [ -0.0069165200000000, -0.0122317300000000, 0.0036228400000000 ] - [ -0.0055680400000000, 0.0061681600000000, 0.0036785000000000 ] - [ -0.0079935500000000, 0.0062542000000000, 0.0035862800000000 ] - [ -0.0069578300000000, -0.0005598500000000, 0.0044862900000000 ] - [ -0.0069631500000000, 0.0004386500000000, 0.0055598400000000 ] - [ -0.0069462600000000, 0.0004405900000000, 0.0034087400000000 ] - [ -0.0087634100000000, -0.0005934600000000, 0.0025154500000000 ] - [ -0.0088731500000000, 0.0004680400000000, 0.0011410800000000 ] - [ -0.0086499900000000, 0.0004718400000000, 0.0038756400000000 ] - [ -0.0070011400000000, -0.0006674700000000, 0.0051533700000000 ] - [ -0.0069690300000000, 0.0003348600000000, 0.0059727300000000 ] - [ -0.0070301200000000, 0.0003370600000000, 0.0043430300000000 ]- atom: 130 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0063437100000000, 0.0060021100000000, -0.0012131200000000 ] - [ -0.0063437100000000, -0.0060021100000000, -0.0012131200000000 ] - [ -0.0006023000000000, 0.0000000000000000, -0.0015519000000000 ] - [ -0.0008812000000000, 0.0010684800000000, 0.0017421400000000 ] - [ -0.0008812000000000, -0.0010684800000000, 0.0017421400000000 ] - [ -0.0004073000000000, 0.0000000000000000, 0.0008299800000000 ] - [ 0.0005248300000000, 0.0010469300000000, 0.0021721700000000 ] - [ 0.0005248300000000, -0.0010469300000000, 0.0021721700000000 ] - [ 0.0000808700000000, 0.0000000000000000, 0.0011740700000000 ] - [ 0.0051614700000000, -0.0046964600000000, 0.0168133400000000 ] - [ 0.0051614700000000, 0.0046964600000000, 0.0168133400000000 ] - [ 0.0046924700000000, 0.0000000000000000, -0.0003347400000000 ] - [ 0.0096821300000000, -0.0179442900000000, -0.0109110700000000 ] - [ 0.0096821300000000, 0.0179442900000000, -0.0109110700000000 ] - [ 0.0089689300000000, 0.0000000000000000, -0.0028784900000000 ] - [ 0.0014375700000000, -0.0047752800000000, -0.0070129500000000 ] - [ 0.0014375700000000, 0.0047752800000000, -0.0070129500000000 ] - [ 0.0014910700000000, 0.0000000000000000, -0.0067438600000000 ] - [ -0.0010390900000000, 0.0000000000000000, 0.0051791000000000 ] - [ -0.0006379500000000, -0.0018401600000000, 0.0056148200000000 ] - [ -0.0006379500000000, 0.0018401600000000, 0.0056148200000000 ] - [ 0.0040140400000000, 0.0000000000000000, 0.0243936500000000 ] - [ 0.0021261200000000, -0.0004019600000000, 0.0029322500000000 ] - [ 0.0021261200000000, 0.0004019600000000, 0.0029322500000000 ] - [ -0.0015013300000000, 0.0000000000000000, 0.0094603400000000 ] - [ -0.0013291200000000, 0.0015201300000000, 0.0038233400000000 ] - [ -0.0013291200000000, -0.0015201300000000, 0.0038233400000000 ] - [ -0.0004209300000000, 0.0000000000000000, 0.0193225200000000 ] - [ 0.0020265100000000, -0.0001080600000000, 0.0036170300000000 ] - [ 0.0020265100000000, 0.0001080600000000, 0.0036170300000000 ] - [ 0.0081373800000000, 0.0000000000000000, 0.0344240100000000 ] - [ 0.0008510400000000, 0.0016991000000000, 0.0067444500000000 ] - [ 0.0008510400000000, -0.0016991000000000, 0.0067444500000000 ] - [ -0.0119799100000000, 0.0000000000000000, -0.0076128200000000 ] - [ 0.0010155700000000, -0.0015300200000000, -0.0000834400000000 ] - [ 0.0010155700000000, 0.0015300200000000, -0.0000834400000000 ] - [ -0.0008726900000000, 0.0000000000000000, 0.0089236300000000 ] - [ -0.0000779000000000, -0.0013159000000000, 0.0037469000000000 ] - [ -0.0000779000000000, 0.0013159000000000, 0.0037469000000000 ] - [ -0.0005932200000000, 0.0000000000000000, -0.0112853400000000 ] - [ -0.0005536000000000, 0.0000479900000000, -0.0076525200000000 ] - [ -0.0005536000000000, -0.0000479900000000, -0.0076525200000000 ] - [ 0.0018481600000000, 0.0000000000000000, -0.0023648100000000 ] - [ 0.0022245600000000, -0.0002587500000000, -0.0012193200000000 ] - [ 0.0022245600000000, 0.0002587500000000, -0.0012193200000000 ] - [ -0.0013231400000000, 0.0000000000000000, -0.0082843200000000 ] - [ -0.0006713000000000, -0.0005758700000000, -0.0038953300000000 ] - [ -0.0006713000000000, 0.0005758700000000, -0.0038953300000000 ] - [ 0.0138379400000000, 0.0000000000000000, -0.0053843300000000 ] - [ 0.0037841200000000, -0.0015294700000000, 0.0004607200000000 ] - [ 0.0037841200000000, 0.0015294700000000, 0.0004607200000000 ] - [ 0.0004262600000000, 0.0000000000000000, -0.0175160200000000 ] - [ 0.0000752300000000, -0.0016966300000000, -0.0062427900000000 ] - [ 0.0000752300000000, 0.0016966300000000, -0.0062427900000000 ] - [ 0.0036458800000000, 0.0000000000000000, -0.0035056000000000 ] - [ 0.0032266000000000, 0.0001892400000000, -0.0020322600000000 ] - [ 0.0032266000000000, -0.0001892400000000, -0.0020322600000000 ] - [ -0.0002255500000000, 0.0000000000000000, -0.0086478600000000 ] - [ -0.0002532200000000, 0.0000293900000000, -0.0062504400000000 ] - [ -0.0002532200000000, -0.0000293900000000, -0.0062504400000000 ] - [ 0.0161465900000000, 0.0000000000000000, -0.0065877200000000 ] - [ 0.0028894500000000, 0.0014429400000000, 0.0002220100000000 ] - [ 0.0028894500000000, -0.0014429400000000, 0.0002220100000000 ] - [ 0.0012888000000000, 0.0000000000000000, -0.0090932600000000 ] - [ 0.0007397000000000, 0.0004487500000000, -0.0039673600000000 ] - [ 0.0007397000000000, -0.0004487500000000, -0.0039673600000000 ] - [ 0.0015425700000000, 0.0000000000000000, -0.0030490600000000 ] - [ 0.0020243600000000, 0.0002386000000000, -0.0016289100000000 ] - [ 0.0020243600000000, -0.0002386000000000, -0.0016289100000000 ] - [ 0.0004259100000000, 0.0000000000000000, -0.0244988700000000 ] - [ 0.0000259400000000, 0.0017673200000000, -0.0074241800000000 ] - [ 0.0000259400000000, -0.0017673200000000, -0.0074241800000000 ] - [ 0.0027064400000000, 0.0000000000000000, -0.0027361600000000 ] - [ 0.0025766800000000, -0.0002891500000000, -0.0015273600000000 ] - [ 0.0025766800000000, 0.0002891500000000, -0.0015273600000000 ] - [ -0.0101105400000000, 0.0000000000000000, -0.0065671000000000 ] - [ 0.0009112600000000, 0.0016581400000000, 0.0005561000000000 ] - [ 0.0009112600000000, -0.0016581400000000, 0.0005561000000000 ] - [ 0.0061299600000000, 0.0157258800000000, -0.0100571400000000 ] - [ 0.0061299600000000, -0.0157258800000000, -0.0100571400000000 ] - [ 0.0058169500000000, 0.0000000000000000, -0.0034924900000000 ] - [ 0.0046977600000000, 0.0012294000000000, -0.0060656200000000 ] - [ 0.0046977600000000, -0.0012294000000000, -0.0060656200000000 ] - [ 0.0047054000000000, 0.0000000000000000, -0.0054744800000000 ] - [ 0.0046424700000000, 0.0001293600000000, 0.0019540300000000 ] - [ 0.0046424700000000, -0.0001293600000000, 0.0019540300000000 ] - [ 0.0046797300000000, 0.0000000000000000, -0.0001687700000000 ] - [ 0.0067608200000000, -0.0016692500000000, -0.0034932700000000 ] - [ 0.0067608200000000, 0.0016692500000000, -0.0034932700000000 ] - [ 0.0067656500000000, 0.0000000000000000, -0.0027684500000000 ] - [ 0.0043938300000000, 0.0035713800000000, -0.0044793300000000 ] - [ 0.0043938300000000, -0.0035713800000000, -0.0044793300000000 ] - [ 0.0047139100000000, 0.0000000000000000, -0.0041543500000000 ] - [ 0.0051396000000000, 0.0008345700000000, -0.0060623800000000 ] - [ 0.0051396000000000, -0.0008345700000000, -0.0060623800000000 ] - [ 0.0051886100000000, 0.0000000000000000, -0.0055399600000000 ] - [ 0.0069576700000000, -0.0010768600000000, 0.0025659600000000 ] - [ 0.0069576700000000, 0.0010768600000000, 0.0025659600000000 ] - [ 0.0069198100000000, 0.0000000000000000, 0.0029512300000000 ] - [ 0.0149326600000000, 0.0162158000000000, -0.0030808900000000 ] - [ 0.0149326600000000, -0.0162158000000000, -0.0030808900000000 ] - [ 0.0006925900000000, 0.0000000000000000, -0.0027033100000000 ] - [ 0.0120566500000000, -0.0128527800000000, -0.0009622500000000 ] - [ 0.0120566500000000, 0.0128527800000000, -0.0009622500000000 ] - [ -0.0000146600000000, 0.0000000000000000, -0.0023982600000000 ] - [ 0.0008427500000000, -0.0021688300000000, 0.0032569100000000 ] - [ 0.0008427500000000, 0.0021688300000000, 0.0032569100000000 ] - [ -0.0000301000000000, 0.0000000000000000, 0.0012459400000000 ] - [ -0.0111797900000000, -0.0119396500000000, -0.0016008700000000 ] - [ -0.0111797900000000, 0.0119396500000000, -0.0016008700000000 ] - [ -0.0003274900000000, 0.0000000000000000, -0.0026139200000000 ] - [ -0.0017947600000000, -0.0016920800000000, 0.0032054600000000 ] - [ -0.0017947600000000, 0.0016920800000000, 0.0032054600000000 ] - [ -0.0009306200000000, 0.0000000000000000, 0.0014166500000000 ] - [ 0.0000510400000000, 0.0000726800000000, 0.0031666900000000 ] - [ 0.0000510400000000, -0.0000726800000000, 0.0031666900000000 ] - [ 0.0000618200000000, 0.0000000000000000, 0.0025039600000000 ] - [ -0.0005527800000000, 0.0000558600000000, 0.0026804900000000 ] - [ -0.0005527800000000, -0.0000558600000000, 0.0026804900000000 ] - [ -0.0005659100000000, 0.0000000000000000, 0.0020869600000000 ] - [ -0.0104663000000000, 0.0000000000000000, 0.0081229300000000 ] - [ -0.0098819200000000, -0.0009512600000000, 0.0031005400000000 ] - [ -0.0098819200000000, 0.0009512600000000, 0.0031005400000000 ] - [ -0.0206327300000000, 0.0000000000000000, 0.0857229600000000 ] - [ -0.0113598700000000, -0.0135175100000000, 0.0040498900000000 ] - [ -0.0113598700000000, 0.0135175100000000, 0.0040498900000000 ] - [ -0.0042401800000000, 0.0000000000000000, 0.0080440800000000 ] - [ -0.0035897800000000, -0.0043252900000000, 0.0075579900000000 ] - [ -0.0035897800000000, 0.0043252900000000, 0.0075579900000000 ] - [ -0.0195681000000000, 0.0000000000000000, -0.1939408800000000 ] - [ -0.0072827800000000, 0.0005227600000000, -0.0063802000000000 ] - [ -0.0072827800000000, -0.0005227600000000, -0.0063802000000000 ] - [ -0.0052722400000000, 0.0000000000000000, 0.0045293400000000 ] - [ -0.0065327900000000, 0.0029951400000000, 0.0047427400000000 ] - [ -0.0065327900000000, -0.0029951400000000, 0.0047427400000000 ] - [ -0.0059420700000000, 0.0000000000000000, 0.0735604100000000 ] - [ -0.0072043000000000, 0.0105066800000000, 0.0034682800000000 ] - [ -0.0072043000000000, -0.0105066800000000, 0.0034682800000000 ] - [ -0.0097359300000000, 0.0000000000000000, -0.0146421400000000 ] - [ -0.0060249200000000, 0.0000744500000000, -0.0054599100000000 ] - [ -0.0060249200000000, -0.0000744500000000, -0.0054599100000000 ] - [ -0.0070505200000000, 0.0000000000000000, 0.0175833100000000 ] - [ -0.0069929200000000, 0.0009534600000000, 0.0114623000000000 ] - [ -0.0069929200000000, -0.0009534600000000, 0.0114623000000000 ] - [ -0.0076836000000000, 0.0000000000000000, 0.0180574100000000 ] - [ -0.0083602600000000, -0.0012623200000000, 0.0100427800000000 ] - [ -0.0083602600000000, 0.0012623200000000, 0.0100427800000000 ] - [ -0.0064998200000000, 0.0000000000000000, 0.0143571100000000 ] - [ -0.0067842500000000, 0.0007397000000000, 0.0103284100000000 ] - [ -0.0067842500000000, -0.0007397000000000, 0.0103284100000000 ]- atom: 130 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ 0.0053235900000000, -0.0060299000000000, 0.0011194500000000 ] - [ 0.0053235900000000, 0.0060299000000000, 0.0011194500000000 ] - [ -0.0004716400000000, 0.0000000000000000, 0.0014268600000000 ] - [ 0.0006180800000000, -0.0010701200000000, -0.0016250800000000 ] - [ 0.0006180800000000, 0.0010701200000000, -0.0016250800000000 ] - [ 0.0001414800000000, 0.0000000000000000, -0.0007096300000000 ] - [ -0.0008381100000000, -0.0010487000000000, -0.0015514800000000 ] - [ -0.0008381100000000, 0.0010487000000000, -0.0015514800000000 ] - [ -0.0003909100000000, 0.0000000000000000, -0.0005488700000000 ] - [ 0.0038078700000000, 0.0051287000000000, -0.0243286500000000 ] - [ 0.0038078700000000, -0.0051287000000000, -0.0243286500000000 ] - [ 0.0042834300000000, 0.0000000000000000, -0.0070634200000000 ] - [ 0.0095913200000000, 0.0179889000000000, 0.0040597000000000 ] - [ 0.0095913200000000, -0.0179889000000000, 0.0040597000000000 ] - [ 0.0103066500000000, 0.0000000000000000, -0.0040348100000000 ] - [ 0.0013203600000000, 0.0047752500000000, -0.0074256000000000 ] - [ 0.0013203600000000, -0.0047752500000000, -0.0074256000000000 ] - [ 0.0012667000000000, 0.0000000000000000, -0.0076909500000000 ] - [ -0.0003286600000000, 0.0000000000000000, -0.0041347100000000 ] - [ -0.0006591200000000, 0.0018534300000000, -0.0081205300000000 ] - [ -0.0006591200000000, -0.0018534300000000, -0.0081205300000000 ] - [ -0.0005046900000000, 0.0000000000000000, -0.0239684000000000 ] - [ 0.0018485600000000, 0.0004267800000000, -0.0024044900000000 ] - [ 0.0018485600000000, -0.0004267800000000, -0.0024044900000000 ] - [ 0.0009221800000000, 0.0000000000000000, -0.0135244100000000 ] - [ 0.0006978000000000, -0.0015239700000000, -0.0077939000000000 ] - [ 0.0006978000000000, 0.0015239700000000, -0.0077939000000000 ] - [ 0.0048382300000000, 0.0000000000000000, -0.0193440700000000 ] - [ 0.0018583700000000, 0.0001216200000000, -0.0034906100000000 ] - [ 0.0018583700000000, -0.0001216200000000, -0.0034906100000000 ] - [ -0.0094555600000000, 0.0000000000000000, -0.0432206800000000 ] - [ -0.0009594300000000, -0.0016658800000000, -0.0094718000000000 ] - [ -0.0009594300000000, 0.0016658800000000, -0.0094718000000000 ] - [ 0.0164195300000000, 0.0000000000000000, 0.0073266100000000 ] - [ 0.0035362800000000, 0.0015175000000000, -0.0000888900000000 ] - [ 0.0035362800000000, -0.0015175000000000, -0.0000888900000000 ] - [ 0.0016220300000000, 0.0000000000000000, -0.0112236000000000 ] - [ 0.0007653800000000, 0.0013076800000000, -0.0061673100000000 ] - [ 0.0007653800000000, -0.0013076800000000, -0.0061673100000000 ] - [ -0.0004182100000000, 0.0000000000000000, 0.0073624800000000 ] - [ -0.0004571000000000, -0.0000490500000000, 0.0037406500000000 ] - [ -0.0004571000000000, 0.0000490500000000, 0.0037406500000000 ] - [ 0.0031168400000000, 0.0000000000000000, 0.0034303700000000 ] - [ 0.0027388800000000, 0.0002560900000000, 0.0022929100000000 ] - [ 0.0027388800000000, -0.0002560900000000, 0.0022929100000000 ] - [ 0.0003628500000000, 0.0000000000000000, 0.0059410000000000 ] - [ -0.0002851600000000, 0.0005710700000000, 0.0015849500000000 ] - [ -0.0002851600000000, -0.0005710700000000, 0.0015849500000000 ] - [ -0.0084774900000000, 0.0000000000000000, 0.0061918400000000 ] - [ 0.0014351700000000, 0.0015153500000000, 0.0004318400000000 ] - [ 0.0014351700000000, -0.0015153500000000, 0.0004318400000000 ] - [ -0.0001652800000000, 0.0000000000000000, 0.0144627000000000 ] - [ 0.0001876300000000, 0.0016778000000000, 0.0032103900000000 ] - [ 0.0001876300000000, -0.0016778000000000, 0.0032103900000000 ] - [ 0.0022285400000000, 0.0000000000000000, 0.0027978200000000 ] - [ 0.0026459300000000, -0.0001897300000000, 0.0013248300000000 ] - [ 0.0026459300000000, 0.0001897300000000, 0.0013248300000000 ] - [ -0.0003365100000000, 0.0000000000000000, 0.0057911700000000 ] - [ -0.0003101500000000, -0.0000302200000000, 0.0034034900000000 ] - [ -0.0003101500000000, 0.0000302200000000, 0.0034034900000000 ] - [ -0.0133484000000000, 0.0000000000000000, 0.0062386900000000 ] - [ -0.0000560300000000, -0.0014473100000000, -0.0005936400000000 ] - [ -0.0000560300000000, 0.0014473100000000, -0.0005936400000000 ] - [ -0.0004486600000000, 0.0000000000000000, 0.0081499700000000 ] - [ 0.0000981100000000, -0.0004488700000000, 0.0030371200000000 ] - [ 0.0000981100000000, 0.0004488700000000, 0.0030371200000000 ] - [ 0.0031560300000000, 0.0000000000000000, 0.0027126300000000 ] - [ 0.0026724400000000, -0.0002391500000000, 0.0012926500000000 ] - [ 0.0026724400000000, 0.0002391500000000, 0.0012926500000000 ] - [ -0.0006870400000000, 0.0000000000000000, 0.0203274200000000 ] - [ -0.0002767100000000, -0.0017725400000000, 0.0032682500000000 ] - [ -0.0002767100000000, 0.0017725400000000, 0.0032682500000000 ] - [ 0.0021562500000000, 0.0000000000000000, 0.0030938900000000 ] - [ 0.0022857200000000, 0.0002865400000000, 0.0018940900000000 ] - [ 0.0022857200000000, -0.0002865400000000, 0.0018940900000000 ] - [ 0.0149776700000000, 0.0000000000000000, 0.0071013700000000 ] - [ 0.0039159500000000, -0.0016643900000000, -0.0000396600000000 ] - [ 0.0039159500000000, 0.0016643900000000, -0.0000396600000000 ] - [ 0.0049309800000000, -0.0155762500000000, 0.0030264400000000 ] - [ 0.0049309800000000, 0.0155762500000000, 0.0030264400000000 ] - [ 0.0052381300000000, 0.0000000000000000, -0.0034267300000000 ] - [ 0.0046021700000000, -0.0012222700000000, -0.0007592300000000 ] - [ 0.0046021700000000, 0.0012222700000000, -0.0007592300000000 ] - [ 0.0045946200000000, 0.0000000000000000, -0.0013470500000000 ] - [ 0.0052906800000000, -0.0001913300000000, -0.0070898800000000 ] - [ 0.0052906800000000, 0.0001913300000000, -0.0070898800000000 ] - [ 0.0052192200000000, 0.0000000000000000, -0.0049825400000000 ] - [ 0.0070845200000000, 0.0016681100000000, 0.0021425200000000 ] - [ 0.0070845200000000, -0.0016681100000000, 0.0021425200000000 ] - [ 0.0070793000000000, 0.0000000000000000, 0.0014160700000000 ] - [ 0.0050445300000000, -0.0035481100000000, -0.0041752800000000 ] - [ 0.0050445300000000, 0.0035481100000000, -0.0041752800000000 ] - [ 0.0047259700000000, 0.0000000000000000, -0.0045054100000000 ] - [ 0.0052643700000000, -0.0008283200000000, -0.0019443200000000 ] - [ 0.0052643700000000, 0.0008283200000000, -0.0019443200000000 ] - [ 0.0052158200000000, 0.0000000000000000, -0.0024623700000000 ] - [ 0.0067967900000000, 0.0010766000000000, 0.0061615800000000 ] - [ 0.0067967900000000, -0.0010766000000000, 0.0061615800000000 ] - [ 0.0068347900000000, 0.0000000000000000, 0.0057764600000000 ] - [ -0.0141783400000000, -0.0163437700000000, 0.0033409400000000 ] - [ -0.0141783400000000, 0.0163437700000000, 0.0033409400000000 ] - [ 0.0001794000000000, 0.0000000000000000, 0.0029250400000000 ] - [ -0.0125162800000000, 0.0127314000000000, 0.0010374200000000 ] - [ -0.0125162800000000, -0.0127314000000000, 0.0010374200000000 ] - [ -0.0005942600000000, 0.0000000000000000, 0.0025496000000000 ] - [ -0.0016219300000000, 0.0021486900000000, -0.0035744600000000 ] - [ -0.0016219300000000, -0.0021486900000000, -0.0035744600000000 ] - [ -0.0007601000000000, 0.0000000000000000, -0.0015851500000000 ] - [ 0.0109739000000000, 0.0117858200000000, 0.0016379900000000 ] - [ 0.0109739000000000, -0.0117858200000000, 0.0016379900000000 ] - [ 0.0002601000000000, 0.0000000000000000, 0.0026872000000000 ] - [ 0.0006200800000000, 0.0016783600000000, -0.0031072900000000 ] - [ 0.0006200800000000, -0.0016783600000000, -0.0031072900000000 ] - [ -0.0002342600000000, 0.0000000000000000, -0.0013398000000000 ] - [ 0.0001286700000000, -0.0000749500000000, -0.0030996400000000 ] - [ 0.0001286700000000, 0.0000749500000000, -0.0030996400000000 ] - [ 0.0001191100000000, 0.0000000000000000, -0.0024385700000000 ] - [ -0.0006624600000000, -0.0000573000000000, -0.0029964100000000 ] - [ -0.0006624600000000, 0.0000573000000000, -0.0029964100000000 ] - [ -0.0006489600000000, 0.0000000000000000, -0.0024037800000000 ] - [ -0.0084153300000000, 0.0000000000000000, -0.0147070100000000 ] - [ -0.0089941900000000, 0.0009519600000000, -0.0096915100000000 ] - [ -0.0089941900000000, -0.0009519600000000, -0.0096915100000000 ] - [ -0.0016893500000000, 0.0000000000000000, -0.0757701400000000 ] - [ -0.0110122700000000, 0.0135617500000000, 0.0063991300000000 ] - [ -0.0110122700000000, -0.0135617500000000, 0.0063991300000000 ] - [ -0.0026891900000000, 0.0000000000000000, 0.0090530300000000 ] - [ -0.0033353600000000, 0.0043262400000000, 0.0094515900000000 ] - [ -0.0033353600000000, -0.0043262400000000, 0.0094515900000000 ] - [ 0.0091196200000000, 0.0000000000000000, 0.2066124700000000 ] - [ -0.0046637500000000, -0.0007407300000000, 0.0161759500000000 ] - [ -0.0046637500000000, 0.0007407300000000, 0.0161759500000000 ] - [ -0.0075371200000000, 0.0000000000000000, 0.0069090300000000 ] - [ -0.0062613500000000, -0.0029781300000000, 0.0067540600000000 ] - [ -0.0062613500000000, 0.0029781300000000, 0.0067540600000000 ] - [ -0.0091090000000000, 0.0000000000000000, -0.0630643700000000 ] - [ -0.0078372200000000, -0.0103986700000000, 0.0060182400000000 ] - [ -0.0078372200000000, 0.0103986700000000, 0.0060182400000000 ] - [ -0.0041821700000000, 0.0000000000000000, 0.0218385900000000 ] - [ -0.0075072300000000, -0.0001080200000000, 0.0127130500000000 ] - [ -0.0075072300000000, 0.0001080200000000, 0.0127130500000000 ] - [ -0.0068625100000000, 0.0000000000000000, -0.0085650800000000 ] - [ -0.0069181300000000, -0.0009475400000000, -0.0024767000000000 ] - [ -0.0069181300000000, 0.0009475400000000, -0.0024767000000000 ] - [ -0.0098424000000000, 0.0000000000000000, -0.0130169300000000 ] - [ -0.0091615900000000, 0.0012634100000000, -0.0050059700000000 ] - [ -0.0091615900000000, -0.0012634100000000, -0.0050059700000000 ] - [ -0.0075011300000000, 0.0000000000000000, -0.0040110600000000 ] - [ -0.0072150300000000, -0.0007321900000000, -0.0000133000000000 ] - [ -0.0072150300000000, 0.0007321900000000, -0.0000133000000000 ]- atom: 133 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005275500000000, 0.0000507600000000, 0.0000424100000000 ] - [ -0.0005275500000000, -0.0000507600000000, 0.0000424100000000 ] - [ -0.0005378800000000, 0.0000000000000000, -0.0000225600000000 ] - [ -0.0001376700000000, 0.0000030200000000, 0.0000985300000000 ] - [ -0.0001376700000000, -0.0000030200000000, 0.0000985300000000 ] - [ -0.0001321600000000, 0.0000000000000000, 0.0000904400000000 ] - [ -0.0001516500000000, 0.0000057800000000, 0.0003552900000000 ] - [ -0.0001516500000000, -0.0000057800000000, 0.0003552900000000 ] - [ -0.0001547900000000, 0.0000000000000000, 0.0003464000000000 ] - [ 0.0036597700000000, -0.0004262500000000, -0.0035354900000000 ] - [ 0.0036597700000000, 0.0004262500000000, -0.0035354900000000 ] - [ 0.0043264500000000, 0.0000000000000000, -0.0036510600000000 ] - [ 0.0096437400000000, -0.0000751400000000, -0.0035097900000000 ] - [ 0.0096437400000000, 0.0000751400000000, -0.0035097900000000 ] - [ 0.0096309000000000, 0.0000000000000000, -0.0034776600000000 ] - [ 0.0013707100000000, -0.0000470900000000, -0.0072840400000000 ] - [ 0.0013707100000000, 0.0000470900000000, -0.0072840400000000 ] - [ 0.0013804700000000, 0.0000000000000000, -0.0072696100000000 ] - [ -0.0158622100000000, 0.0000000000000000, -0.0039827500000000 ] - [ -0.0013190400000000, -0.0000345600000000, -0.0011108100000000 ] - [ -0.0013190400000000, 0.0000345600000000, -0.0011108100000000 ] - [ 0.0013878800000000, 0.0000000000000000, -0.0004205200000000 ] - [ 0.0017989400000000, 0.0004456400000000, -0.0000892500000000 ] - [ 0.0017989400000000, -0.0004456400000000, -0.0000892500000000 ] - [ -0.0001119400000000, 0.0000000000000000, -0.0023545600000000 ] - [ -0.0002390100000000, 0.0001106600000000, -0.0020722300000000 ] - [ -0.0002390100000000, -0.0001106600000000, -0.0020722300000000 ] - [ 0.0029005800000000, 0.0000000000000000, -0.0001423100000000 ] - [ 0.0023291400000000, -0.0007800000000000, 0.0009116300000000 ] - [ 0.0023291400000000, 0.0007800000000000, 0.0009116300000000 ] - [ -0.0000998200000000, 0.0000000000000000, -0.0017893300000000 ] - [ -0.0001033100000000, 0.0000435700000000, -0.0013950100000000 ] - [ -0.0001033100000000, -0.0000435700000000, -0.0013950100000000 ] - [ -0.0246173500000000, 0.0000000000000000, -0.0022766300000000 ] - [ 0.0019363500000000, 0.0003099100000000, -0.0001190600000000 ] - [ 0.0019363500000000, -0.0003099100000000, -0.0001190600000000 ] - [ 0.0180537100000000, 0.0000000000000000, 0.0071891100000000 ] - [ 0.0009898700000000, 0.0002803800000000, -0.0010515100000000 ] - [ 0.0009898700000000, -0.0002803800000000, -0.0010515100000000 ] - [ -0.0006983000000000, 0.0000000000000000, -0.0021885500000000 ] - [ -0.0005864400000000, -0.0000046200000000, -0.0020816800000000 ] - [ -0.0005864400000000, 0.0000046200000000, -0.0020816800000000 ] - [ 0.0023422200000000, 0.0000000000000000, 0.0006154200000000 ] - [ 0.0023590900000000, 0.0003465200000000, 0.0008822800000000 ] - [ 0.0023590900000000, -0.0003465200000000, 0.0008822800000000 ] - [ 0.0151864500000000, 0.0000000000000000, -0.0088136800000000 ] - [ 0.0002353500000000, 0.0001471400000000, -0.0009475600000000 ] - [ 0.0002353500000000, -0.0001471400000000, -0.0009475600000000 ] - [ 0.0509985400000000, 0.0000000000000000, 0.0011048700000000 ] - [ 0.0027946700000000, 0.0000803000000000, 0.0005828900000000 ] - [ 0.0027946700000000, -0.0000803000000000, 0.0005828900000000 ] - [ -0.0145220300000000, 0.0000000000000000, -0.0003219800000000 ] - [ -0.0006212000000000, -0.0001545300000000, -0.0014129300000000 ] - [ -0.0006212000000000, 0.0001545300000000, -0.0014129300000000 ] - [ 0.0029953800000000, 0.0000000000000000, -0.0004081500000000 ] - [ 0.0029380300000000, -0.0000092100000000, -0.0003954400000000 ] - [ 0.0029380300000000, 0.0000092100000000, -0.0003954400000000 ] - [ -0.0000108600000000, 0.0000000000000000, -0.0017983000000000 ] - [ -0.0002023400000000, 0.0000257400000000, -0.0015461400000000 ] - [ -0.0002023400000000, -0.0000257400000000, -0.0015461400000000 ] - [ 0.0014498600000000, 0.0000000000000000, -0.0002981200000000 ] - [ 0.0014128900000000, 0.0000101000000000, -0.0002187300000000 ] - [ 0.0014128900000000, -0.0000101000000000, -0.0002187300000000 ] - [ 0.0005000000000000, 0.0000000000000000, -0.0007346200000000 ] - [ 0.0004246900000000, 0.0000052700000000, -0.0006459200000000 ] - [ 0.0004246900000000, -0.0000052700000000, -0.0006459200000000 ] - [ 0.0023232300000000, 0.0000000000000000, -0.0002153900000000 ] - [ 0.0023486600000000, 0.0000018300000000, -0.0002182600000000 ] - [ 0.0023486600000000, -0.0000018300000000, -0.0002182600000000 ] - [ -0.0000857900000000, 0.0000000000000000, -0.0023743200000000 ] - [ -0.0001240600000000, 0.0000084100000000, -0.0022389700000000 ] - [ -0.0001240600000000, -0.0000084100000000, -0.0022389700000000 ] - [ 0.0025547100000000, 0.0000000000000000, 0.0000959900000000 ] - [ 0.0026532400000000, -0.0007205900000000, -0.0005082100000000 ] - [ 0.0026532400000000, 0.0007205900000000, -0.0005082100000000 ] - [ 0.0023938400000000, 0.0000000000000000, 0.0001533700000000 ] - [ 0.0024148100000000, 0.0000178900000000, 0.0002298600000000 ] - [ 0.0024148100000000, -0.0000178900000000, 0.0002298600000000 ] - [ -0.0096718200000000, -0.0008275500000000, -0.0033543200000000 ] - [ -0.0096718200000000, 0.0008275500000000, -0.0033543200000000 ] - [ 0.0051752100000000, 0.0000000000000000, -0.0034222100000000 ] - [ 0.0039559600000000, -0.0000051400000000, -0.0035647900000000 ] - [ 0.0039559600000000, 0.0000051400000000, -0.0035647900000000 ] - [ 0.0045115500000000, 0.0000000000000000, -0.0034310200000000 ] - [ 0.0057319700000000, -0.0010023200000000, -0.0030835000000000 ] - [ 0.0057319700000000, 0.0010023200000000, -0.0030835000000000 ] - [ 0.0051219400000000, 0.0000000000000000, -0.0026213600000000 ] - [ 0.0069174200000000, -0.0000001900000000, -0.0007302600000000 ] - [ 0.0069174200000000, 0.0000001900000000, -0.0007302600000000 ] - [ 0.0069075300000000, 0.0000000000000000, -0.0007247900000000 ] - [ 0.0220143000000000, 0.0039264600000000, -0.0041606100000000 ] - [ 0.0220143000000000, -0.0039264600000000, -0.0041606100000000 ] - [ 0.0051748300000000, 0.0000000000000000, -0.0042890700000000 ] - [ 0.0058752600000000, -0.0001263800000000, -0.0038449300000000 ] - [ 0.0058752600000000, 0.0001263800000000, -0.0038449300000000 ] - [ 0.0053517200000000, 0.0000000000000000, -0.0039671800000000 ] - [ 0.0068800900000000, 0.0000323200000000, 0.0043076800000000 ] - [ 0.0068800900000000, -0.0000323200000000, 0.0043076800000000 ] - [ 0.0068894300000000, 0.0000000000000000, 0.0043263900000000 ] - [ 0.0004160400000000, 0.0001466100000000, 0.0000972300000000 ] - [ 0.0004160400000000, -0.0001466100000000, 0.0000972300000000 ] - [ 0.0004476000000000, 0.0000000000000000, 0.0000072400000000 ] - [ 0.0035410500000000, 0.0104054900000000, 0.0100389300000000 ] - [ 0.0035410500000000, -0.0104054900000000, 0.0100389300000000 ] - [ -0.0003001900000000, 0.0000000000000000, -0.0000104500000000 ] - [ 0.0030497100000000, 0.0107524900000000, -0.0106764800000000 ] - [ 0.0030497100000000, -0.0107524900000000, -0.0106764800000000 ] - [ -0.0004045200000000, 0.0000000000000000, -0.0002328700000000 ] - [ 0.0038994300000000, -0.0123804400000000, -0.0131927900000000 ] - [ 0.0038994300000000, 0.0123804400000000, -0.0131927900000000 ] - [ -0.0000271100000000, 0.0000000000000000, 0.0000387600000000 ] - [ 0.0035207300000000, -0.0136534500000000, 0.0130778100000000 ] - [ 0.0035207300000000, 0.0136534500000000, 0.0130778100000000 ] - [ -0.0005738000000000, 0.0000000000000000, -0.0000996600000000 ] - [ 0.0000877200000000, -0.0000287000000000, -0.0000015400000000 ] - [ 0.0000877200000000, 0.0000287000000000, -0.0000015400000000 ] - [ 0.0000893000000000, 0.0000000000000000, 0.0000251700000000 ] - [ -0.0005958900000000, 0.0000042100000000, 0.0000325400000000 ] - [ -0.0005958900000000, -0.0000042100000000, 0.0000325400000000 ] - [ -0.0005859500000000, 0.0000000000000000, 0.0000021500000000 ] - [ -0.0095233000000000, 0.0000000000000000, -0.0029535400000000 ] - [ -0.0094706800000000, 0.0000233600000000, -0.0030798900000000 ] - [ -0.0094706800000000, -0.0000233600000000, -0.0030798900000000 ] - [ -0.0112672000000000, 0.0000000000000000, 0.0057591200000000 ] - [ -0.0111871400000000, -0.0000708300000000, 0.0053771100000000 ] - [ -0.0111871400000000, 0.0000708300000000, 0.0053771100000000 ] - [ -0.0034550000000000, 0.0000000000000000, 0.0089248000000000 ] - [ -0.0034466000000000, -0.0000502600000000, 0.0087159600000000 ] - [ -0.0034466000000000, 0.0000502600000000, 0.0087159600000000 ] - [ -0.0050110700000000, 0.0000000000000000, 0.0060037900000000 ] - [ -0.0052151400000000, -0.0001589400000000, 0.0047742300000000 ] - [ -0.0052151400000000, 0.0001589400000000, 0.0047742300000000 ] - [ -0.2025132900000000, 0.0000000000000000, 0.0041029600000000 ] - [ -0.0076776700000000, -0.0008383700000000, 0.0054970100000000 ] - [ -0.0076776700000000, 0.0008383700000000, 0.0054970100000000 ] - [ 0.1299820500000000, 0.0000000000000000, 0.0072323400000000 ] - [ -0.0064874200000000, -0.0000093400000000, 0.0045798000000000 ] - [ -0.0064874200000000, 0.0000093400000000, 0.0045798000000000 ] - [ -0.0085008900000000, 0.0000000000000000, 0.0074153500000000 ] - [ -0.0076999600000000, -0.0006589700000000, 0.0036126100000000 ] - [ -0.0076999600000000, 0.0006589700000000, 0.0036126100000000 ] - [ -0.0058045000000000, 0.0000000000000000, 0.0044520500000000 ] - [ -0.0061785200000000, 0.0000900600000000, 0.0046206800000000 ] - [ -0.0061785200000000, -0.0000900600000000, 0.0046206800000000 ] - [ -0.0088027200000000, 0.0000000000000000, 0.0027386300000000 ] - [ -0.0087366700000000, -0.0000001500000000, 0.0027072800000000 ] - [ -0.0087366700000000, 0.0000001500000000, 0.0027072800000000 ] - [ -0.0084184400000000, 0.0000000000000000, 0.0045516000000000 ] - [ -0.0078469800000000, -0.0000867000000000, 0.0050865200000000 ] - [ -0.0078469800000000, 0.0000867000000000, 0.0050865200000000 ]- atom: 133 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005394600000000, -0.0000491400000000, -0.0001741500000000 ] - [ -0.0005394600000000, 0.0000491400000000, -0.0001741500000000 ] - [ -0.0005303400000000, 0.0000000000000000, -0.0001085100000000 ] - [ -0.0001263400000000, -0.0000025900000000, 0.0000201200000000 ] - [ -0.0001263400000000, 0.0000025900000000, 0.0000201200000000 ] - [ -0.0001321100000000, 0.0000000000000000, 0.0000284100000000 ] - [ -0.0001602500000000, -0.0000052800000000, 0.0002684100000000 ] - [ -0.0001602500000000, 0.0000052800000000, 0.0002684100000000 ] - [ -0.0001567800000000, 0.0000000000000000, 0.0002765800000000 ] - [ 0.0053181200000000, 0.0004279100000000, -0.0038488900000000 ] - [ 0.0053181200000000, -0.0004279100000000, -0.0038488900000000 ] - [ 0.0046506800000000, 0.0000000000000000, -0.0037449200000000 ] - [ 0.0096302000000000, 0.0000722600000000, -0.0033802000000000 ] - [ 0.0096302000000000, -0.0000722600000000, -0.0033802000000000 ] - [ 0.0096428400000000, 0.0000000000000000, -0.0034116500000000 ] - [ 0.0013877800000000, 0.0000428300000000, -0.0071494400000000 ] - [ 0.0013877800000000, -0.0000428300000000, -0.0071494400000000 ] - [ 0.0013781100000000, 0.0000000000000000, -0.0071630800000000 ] - [ 0.0146879300000000, 0.0000000000000000, 0.0014675200000000 ] - [ 0.0000268100000000, 0.0000225700000000, -0.0014770600000000 ] - [ 0.0000268100000000, -0.0000225700000000, -0.0014770600000000 ] - [ 0.0025172400000000, 0.0000000000000000, 0.0009309300000000 ] - [ 0.0021323900000000, -0.0004494000000000, 0.0006078500000000 ] - [ 0.0021323900000000, 0.0004494000000000, 0.0006078500000000 ] - [ -0.0005110500000000, 0.0000000000000000, -0.0016348400000000 ] - [ -0.0003973200000000, -0.0001061900000000, -0.0018933900000000 ] - [ -0.0003973200000000, 0.0001061900000000, -0.0018933900000000 ] - [ 0.0010981500000000, 0.0000000000000000, 0.0002117100000000 ] - [ 0.0015789700000000, 0.0007742500000000, -0.0007934900000000 ] - [ 0.0015789700000000, -0.0007742500000000, -0.0007934900000000 ] - [ 0.0000155800000000, 0.0000000000000000, -0.0008729000000000 ] - [ 0.0000066500000000, -0.0000432600000000, -0.0012558400000000 ] - [ 0.0000066500000000, 0.0000432600000000, -0.0012558400000000 ] - [ 0.0265104700000000, 0.0000000000000000, 0.0022514700000000 ] - [ 0.0025896800000000, -0.0003062300000000, -0.0000584900000000 ] - [ 0.0025896800000000, 0.0003062300000000, -0.0000584900000000 ] - [ -0.0170648600000000, 0.0000000000000000, -0.0091721400000000 ] - [ -0.0003106000000000, -0.0002649000000000, -0.0014358900000000 ] - [ -0.0003106000000000, 0.0002649000000000, -0.0014358900000000 ] - [ -0.0003002300000000, 0.0000000000000000, -0.0017162100000000 ] - [ -0.0004225500000000, 0.0000031800000000, -0.0018206300000000 ] - [ -0.0004225500000000, -0.0000031800000000, -0.0018206300000000 ] - [ 0.0025991800000000, 0.0000000000000000, 0.0004571200000000 ] - [ 0.0025991200000000, -0.0003536200000000, 0.0001896500000000 ] - [ 0.0025991200000000, 0.0003536200000000, 0.0001896500000000 ] - [ -0.0158824100000000, 0.0000000000000000, 0.0060212200000000 ] - [ -0.0011997200000000, -0.0001382300000000, -0.0013367600000000 ] - [ -0.0011997200000000, 0.0001382300000000, -0.0013367600000000 ] - [ -0.0378372600000000, 0.0000000000000000, -0.0001198600000000 ] - [ 0.0024908600000000, -0.0000512700000000, 0.0003054100000000 ] - [ 0.0024908600000000, 0.0000512700000000, 0.0003054100000000 ] - [ 0.0148958500000000, 0.0000000000000000, -0.0028138400000000 ] - [ 0.0008868400000000, 0.0001381200000000, -0.0016091500000000 ] - [ 0.0008868400000000, -0.0001381200000000, -0.0016091500000000 ] - [ 0.0028788700000000, 0.0000000000000000, -0.0002964000000000 ] - [ 0.0029320100000000, 0.0000092100000000, -0.0003080800000000 ] - [ 0.0029320100000000, -0.0000092100000000, -0.0003080800000000 ] - [ -0.0005402300000000, 0.0000000000000000, -0.0010368400000000 ] - [ -0.0003604200000000, -0.0000240000000000, -0.0012853400000000 ] - [ -0.0003604200000000, 0.0000240000000000, -0.0012853400000000 ] - [ 0.0013807900000000, 0.0000000000000000, -0.0000697100000000 ] - [ 0.0014162200000000, -0.0000095400000000, -0.0001467500000000 ] - [ 0.0014162200000000, 0.0000095400000000, -0.0001467500000000 ] - [ 0.0003436900000000, 0.0000000000000000, -0.0001873300000000 ] - [ 0.0004128600000000, -0.0000046900000000, -0.0002718900000000 ] - [ 0.0004128600000000, 0.0000046900000000, -0.0002718900000000 ] - [ 0.0023765500000000, 0.0000000000000000, -0.0001185300000000 ] - [ 0.0023505900000000, -0.0000016700000000, -0.0001155200000000 ] - [ 0.0023505900000000, 0.0000016700000000, -0.0001155200000000 ] - [ -0.0001613800000000, 0.0000000000000000, -0.0017595800000000 ] - [ -0.0001257600000000, -0.0000080200000000, -0.0018916300000000 ] - [ -0.0001257600000000, 0.0000080200000000, -0.0018916300000000 ] - [ 0.0023832600000000, 0.0000000000000000, 0.0002897800000000 ] - [ 0.0022183500000000, 0.0007136700000000, 0.0008741800000000 ] - [ 0.0022183500000000, -0.0007136700000000, 0.0008741800000000 ] - [ 0.0024383800000000, 0.0000000000000000, 0.0003656400000000 ] - [ 0.0024148200000000, -0.0000170700000000, 0.0002918300000000 ] - [ 0.0024148200000000, 0.0000170700000000, 0.0002918300000000 ] - [ 0.0208281300000000, 0.0009172900000000, -0.0035741600000000 ] - [ 0.0208281300000000, -0.0009172900000000, -0.0035741600000000 ] - [ 0.0058986700000000, 0.0000000000000000, -0.0035096100000000 ] - [ 0.0053471600000000, 0.0000209800000000, -0.0032640400000000 ] - [ 0.0053471600000000, -0.0000209800000000, -0.0032640400000000 ] - [ 0.0047903600000000, 0.0000000000000000, -0.0033852200000000 ] - [ 0.0041552900000000, 0.0009556200000000, -0.0020967400000000 ] - [ 0.0041552900000000, -0.0009556200000000, -0.0020967400000000 ] - [ 0.0047721500000000, 0.0000000000000000, -0.0025437800000000 ] - [ 0.0069286200000000, -0.0000009800000000, -0.0006178600000000 ] - [ 0.0069286200000000, 0.0000009800000000, -0.0006178600000000 ] - [ 0.0069376600000000, 0.0000000000000000, -0.0006233600000000 ] - [ -0.0123667900000000, -0.0034082100000000, -0.0045114100000000 ] - [ -0.0123667900000000, 0.0034082100000000, -0.0045114100000000 ] - [ 0.0042805700000000, 0.0000000000000000, -0.0043785500000000 ] - [ 0.0045218600000000, 0.0001081400000000, -0.0041462300000000 ] - [ 0.0045218600000000, -0.0001081400000000, -0.0041462300000000 ] - [ 0.0050529100000000, 0.0000000000000000, -0.0040272600000000 ] - [ 0.0068746500000000, -0.0000332800000000, 0.0044238600000000 ] - [ 0.0068746500000000, 0.0000332800000000, 0.0044238600000000 ] - [ 0.0068653400000000, 0.0000000000000000, 0.0044057200000000 ] - [ 0.0004415300000000, -0.0001394100000000, 0.0001227100000000 ] - [ 0.0004415300000000, 0.0001394100000000, 0.0001227100000000 ] - [ 0.0004117900000000, 0.0000000000000000, 0.0002087700000000 ] - [ -0.0040894500000000, -0.0105470400000000, -0.0100206000000000 ] - [ -0.0040894500000000, 0.0105470400000000, -0.0100206000000000 ] - [ -0.0002960300000000, 0.0000000000000000, 0.0001879600000000 ] - [ -0.0037958500000000, -0.0109325700000000, 0.0104952800000000 ] - [ -0.0037958500000000, 0.0109325700000000, 0.0104952800000000 ] - [ -0.0003813700000000, 0.0000000000000000, -0.0001107700000000 ] - [ -0.0040010400000000, 0.0122551800000000, 0.0131443800000000 ] - [ -0.0040010400000000, -0.0122551800000000, 0.0131443800000000 ] - [ -0.0000508000000000, 0.0000000000000000, 0.0000628500000000 ] - [ -0.0047015600000000, 0.0135012900000000, -0.0128651000000000 ] - [ -0.0047015600000000, -0.0135012900000000, -0.0128651000000000 ] - [ -0.0005936700000000, 0.0000000000000000, 0.0001664400000000 ] - [ 0.0000972000000000, 0.0000283300000000, 0.0000657800000000 ] - [ 0.0000972000000000, -0.0000283300000000, 0.0000657800000000 ] - [ 0.0000941900000000, 0.0000000000000000, 0.0000368200000000 ] - [ -0.0006221900000000, -0.0000023400000000, -0.0003534500000000 ] - [ -0.0006221900000000, 0.0000023400000000, -0.0003534500000000 ] - [ -0.0006303800000000, 0.0000000000000000, -0.0003224900000000 ] - [ -0.0093564100000000, 0.0000000000000000, -0.0036522300000000 ] - [ -0.0094021300000000, -0.0000239000000000, -0.0035284700000000 ] - [ -0.0094021300000000, 0.0000239000000000, -0.0035284700000000 ] - [ -0.0110993500000000, 0.0000000000000000, 0.0046250700000000 ] - [ -0.0111753100000000, 0.0000683700000000, 0.0049973400000000 ] - [ -0.0111753100000000, -0.0000683700000000, 0.0049973400000000 ] - [ -0.0034753200000000, 0.0000000000000000, 0.0080858300000000 ] - [ -0.0034760600000000, 0.0000469400000000, 0.0082816400000000 ] - [ -0.0034760600000000, -0.0000469400000000, 0.0082816400000000 ] - [ -0.0069591700000000, 0.0000000000000000, 0.0037383200000000 ] - [ -0.0067217600000000, 0.0001609900000000, 0.0050455500000000 ] - [ -0.0067217600000000, -0.0001609900000000, 0.0050455500000000 ] - [ 0.1839461200000000, 0.0000000000000000, 0.0072101100000000 ] - [ -0.0050974900000000, 0.0006639300000000, 0.0060237100000000 ] - [ -0.0050974900000000, -0.0006639300000000, 0.0060237100000000 ] - [ -0.1463008200000000, 0.0000000000000000, 0.0022503800000000 ] - [ -0.0085826900000000, 0.0001055200000000, 0.0049553900000000 ] - [ -0.0085826900000000, -0.0001055200000000, 0.0049553900000000 ] - [ -0.0049881300000000, 0.0000000000000000, 0.0001143100000000 ] - [ -0.0058175900000000, 0.0006363800000000, 0.0036773600000000 ] - [ -0.0058175900000000, -0.0006363800000000, 0.0036773600000000 ] - [ -0.0081407800000000, 0.0000000000000000, 0.0046255600000000 ] - [ -0.0077341700000000, -0.0000776000000000, 0.0043514300000000 ] - [ -0.0077341700000000, 0.0000776000000000, 0.0043514300000000 ] - [ -0.0087228100000000, 0.0000000000000000, 0.0022812800000000 ] - [ -0.0087851600000000, -0.0000003100000000, 0.0023122300000000 ] - [ -0.0087851600000000, 0.0000003100000000, 0.0023122300000000 ] - [ -0.0055764100000000, 0.0000000000000000, 0.0056179900000000 ] - [ -0.0061546700000000, 0.0000815400000000, 0.0052074500000000 ] - [ -0.0061546700000000, -0.0000815400000000, 0.0052074500000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005076500000000, -0.0002613000000000, 0.0002597700000000 ] - [ -0.0005596700000000, -0.0002637600000000, -0.0003872900000000 ] - [ -0.0005348300000000, 0.0005179800000000, -0.0000658800000000 ] - [ -0.0001294800000000, -0.0000884300000000, 0.0000587900000000 ] - [ -0.0001348300000000, -0.0000889300000000, 0.0000606100000000 ] - [ -0.0001318700000000, 0.0001760000000000, 0.0000593700000000 ] - [ -0.0001594400000000, -0.0000886400000000, 0.0003115100000000 ] - [ -0.0001532800000000, -0.0000892200000000, 0.0003136800000000 ] - [ -0.0001565500000000, 0.0001754600000000, 0.0003126000000000 ] - [ 0.0046374900000000, 0.0016627500000000, -0.0054339400000000 ] - [ 0.0043380100000000, 0.0016822200000000, -0.0019556100000000 ] - [ 0.0044878200000000, -0.0033359100000000, -0.0036967900000000 ] - [ 0.0096799000000000, 0.0004125300000000, -0.0035545900000000 ] - [ 0.0095927800000000, 0.0004165100000000, -0.0033366300000000 ] - [ 0.0096362200000000, -0.0008339900000000, -0.0034450200000000 ] - [ 0.0013587600000000, 0.0004458600000000, -0.0073240700000000 ] - [ 0.0013992600000000, 0.0004477700000000, -0.0071102400000000 ] - [ 0.0013789100000000, -0.0010335800000000, -0.0072172200000000 ] - [ -0.0006388400000000, 0.0031151100000000, -0.0013214800000000 ] - [ -0.0008586300000000, -0.0015062900000000, 0.0016695100000000 ] - [ -0.0004336600000000, -0.0015164600000000, -0.0042561800000000 ] - [ 0.0019584900000000, 0.0018423300000000, 0.0002476300000000 ] - [ 0.0030152400000000, -0.0008912300000000, 0.0017434100000000 ] - [ 0.0009209000000000, -0.0008963800000000, -0.0012205800000000 ] - [ -0.0003160100000000, 0.0007940500000000, -0.0019872900000000 ] - [ -0.0003894600000000, -0.0006247000000000, 0.0003263000000000 ] - [ -0.0002480600000000, -0.0006366800000000, -0.0042940400000000 ] - [ 0.0019664100000000, 0.0022876100000000, 0.0000414100000000 ] - [ 0.0010704500000000, -0.0011268200000000, 0.0017399900000000 ] - [ 0.0028295300000000, -0.0011355000000000, -0.0016204400000000 ] - [ -0.0000484100000000, 0.0006241000000000, -0.0013367100000000 ] - [ 0.0000329500000000, -0.0003139800000000, 0.0001086800000000 ] - [ -0.0001308300000000, -0.0003162500000000, -0.0027596500000000 ] - [ 0.0025797100000000, 0.0170363900000000, -0.0000987200000000 ] - [ 0.0143810100000000, -0.0092230000000000, -0.0004352500000000 ] - [ -0.0097325900000000, -0.0091624600000000, 0.0002550300000000 ] - [ 0.0003643900000000, 0.0182496300000000, -0.0009032000000000 ] - [ 0.0012417100000000, -0.0095282600000000, 0.0145671200000000 ] - [ -0.0005511900000000, -0.0094565600000000, -0.0169810300000000 ] - [ -0.0005047400000000, 0.0006571300000000, -0.0019448000000000 ] - [ -0.0005086400000000, -0.0003300700000000, -0.0033900800000000 ] - [ -0.0005017900000000, -0.0003315300000000, -0.0005135100000000 ] - [ 0.0024782600000000, 0.0017579700000000, 0.0005431100000000 ] - [ 0.0032992400000000, -0.0008576500000000, -0.0009120400000000 ] - [ 0.0016689300000000, -0.0008599300000000, 0.0019801700000000 ] - [ -0.0004602500000000, 0.0164951000000000, -0.0014588100000000 ] - [ -0.0000719800000000, -0.0091431600000000, -0.0161137200000000 ] - [ -0.0008817400000000, -0.0090662000000000, 0.0137304800000000 ] - [ 0.0022879400000000, 0.0206915600000000, 0.0004448900000000 ] - [ -0.0102910900000000, -0.0103184100000000, 0.0001835600000000 ] - [ 0.0154762900000000, -0.0102558800000000, 0.0007053000000000 ] - [ 0.0001400300000000, 0.0032023100000000, -0.0014852900000000 ] - [ -0.0001288700000000, -0.0015585200000000, -0.0045592700000000 ] - [ 0.0003938700000000, -0.0015637400000000, 0.0015357100000000 ] - [ 0.0029365800000000, 0.0002616200000000, -0.0003516100000000 ] - [ 0.0029777400000000, -0.0001269600000000, -0.0005462400000000 ] - [ 0.0028918800000000, -0.0001277500000000, -0.0001579400000000 ] - [ -0.0002788900000000, 0.0009270700000000, -0.0014233400000000 ] - [ -0.0002678300000000, -0.0006390100000000, -0.0035246000000000 ] - [ -0.0002956400000000, -0.0006468300000000, 0.0006859900000000 ] - [ 0.0014151700000000, 0.0001616600000000, -0.0001846600000000 ] - [ 0.0014780700000000, -0.0000781300000000, 0.0000527800000000 ] - [ 0.0013506600000000, -0.0000787700000000, -0.0004187600000000 ] - [ 0.0004212300000000, 0.0000477000000000, -0.0004607500000000 ] - [ 0.0005099600000000, -0.0001520200000000, -0.0004431700000000 ] - [ 0.0003268800000000, -0.0001534400000000, -0.0004767900000000 ] - [ 0.0023487600000000, 0.0001835100000000, -0.0001664300000000 ] - [ 0.0022882700000000, -0.0000925300000000, -0.0003514800000000 ] - [ 0.0024106100000000, -0.0000930600000000, 0.0000173700000000 ] - [ -0.0001251000000000, 0.0001579500000000, -0.0020673400000000 ] - [ -0.0001371300000000, -0.0000812700000000, -0.0019874200000000 ] - [ -0.0001135500000000, -0.0000820600000000, -0.0021454300000000 ] - [ 0.0024412900000000, 0.0020279600000000, 0.0001924400000000 ] - [ 0.0012791400000000, -0.0009994700000000, -0.0013471800000000 ] - [ 0.0035780900000000, -0.0010042700000000, 0.0017096300000000 ] - [ 0.0024143600000000, 0.0001761500000000, 0.0002591400000000 ] - [ 0.0023576900000000, -0.0000869700000000, 0.0004828600000000 ] - [ 0.0024712500000000, -0.0000876900000000, 0.0000382200000000 ] - [ 0.0062872200000000, 0.0056400500000000, -0.0036598100000000 ] - [ 0.0048010800000000, 0.0057509000000000, -0.0032659400000000 ] - [ 0.0055321500000000, -0.0126494200000000, -0.0034648700000000 ] - [ 0.0047346500000000, 0.0016362800000000, -0.0018625700000000 ] - [ 0.0045665300000000, 0.0016480100000000, -0.0049613300000000 ] - [ 0.0046501800000000, -0.0032780400000000, -0.0034093100000000 ] - [ 0.0052015100000000, 0.0033803800000000, -0.0046090600000000 ] - [ 0.0046921500000000, 0.0034684300000000, -0.0005959300000000 ] - [ 0.0049452700000000, -0.0077193000000000, -0.0025723000000000 ] - [ 0.0069375500000000, 0.0004172000000000, -0.0005514300000000 ] - [ 0.0069081200000000, 0.0004209400000000, -0.0007953200000000 ] - [ 0.0069223200000000, -0.0008442700000000, -0.0006740800000000 ] - [ 0.0057612700000000, 0.0091579000000000, -0.0051514800000000 ] - [ 0.0035268100000000, 0.0141655600000000, -0.0033818600000000 ] - [ 0.0047154400000000, -0.0315279800000000, -0.0043275600000000 ] - [ 0.0053594900000000, 0.0033422100000000, -0.0024066700000000 ] - [ 0.0050417400000000, 0.0033903700000000, -0.0055767300000000 ] - [ 0.0052016200000000, -0.0074454200000000, -0.0040106400000000 ] - [ 0.0068871100000000, 0.0004190300000000, 0.0044738700000000 ] - [ 0.0068666500000000, 0.0004197700000000, 0.0042576000000000 ] - [ 0.0068768500000000, -0.0009608300000000, 0.0043659900000000 ] - [ 0.0003521800000000, -0.0006228900000000, 0.0007743200000000 ] - [ 0.0005035200000000, -0.0006291400000000, -0.0005526700000000 ] - [ 0.0004302700000000, 0.0012558000000000, 0.0001066100000000 ] - [ 0.0118444100000000, 0.0005144600000000, 0.0131400100000000 ] - [ -0.0125760500000000, 0.0004773400000000, -0.0131199500000000 ] - [ -0.0003075700000000, 0.0057859600000000, 0.0000798300000000 ] - [ 0.0126165200000000, 0.0007215500000000, -0.0135610400000000 ] - [ -0.0135676200000000, 0.0007044700000000, 0.0133733900000000 ] - [ -0.0004005800000000, 0.0054019800000000, -0.0001645200000000 ] - [ -0.0122305300000000, 0.0007297800000000, 0.0129385500000000 ] - [ 0.0122822400000000, 0.0006721300000000, -0.0129663000000000 ] - [ -0.0000316600000000, 0.0060588800000000, 0.0000377900000000 ] - [ -0.0135439200000000, 0.0007977800000000, -0.0131115200000000 ] - [ 0.0125358100000000, 0.0007560200000000, 0.0133066100000000 ] - [ -0.0005767700000000, 0.0058527900000000, 0.0000447900000000 ] - [ 0.0001653500000000, -0.0005439100000000, -0.0006730200000000 ] - [ 0.0000173300000000, -0.0005470100000000, 0.0007343000000000 ] - [ 0.0000902200000000, 0.0010861600000000, 0.0000334200000000 ] - [ -0.0006914400000000, -0.0005844300000000, -0.0008223800000000 ] - [ -0.0005260100000000, -0.0005890700000000, 0.0004999800000000 ] - [ -0.0006074100000000, 0.0011786600000000, -0.0001580500000000 ] - [ -0.0094402100000000, -0.0006437800000000, -0.0033026400000000 ] - [ -0.0095602100000000, 0.0004943000000000, -0.0022765000000000 ] - [ -0.0093139800000000, 0.0004957400000000, -0.0043291000000000 ] - [ -0.0111825400000000, -0.0007630700000000, 0.0051951800000000 ] - [ -0.0111396200000000, 0.0003815600000000, 0.0042856700000000 ] - [ -0.0112242000000000, 0.0003850100000000, 0.0060900900000000 ] - [ -0.0034651300000000, -0.0006737200000000, 0.0085045600000000 ] - [ -0.0035820100000000, 0.0005182500000000, 0.0073613500000000 ] - [ -0.0033405700000000, 0.0005206300000000, 0.0096417400000000 ] - [ -0.0059723800000000, -0.0043518800000000, 0.0049292200000000 ] - [ -0.0064497700000000, 0.0021943600000000, 0.0019223900000000 ] - [ -0.0054906600000000, 0.0022056700000000, 0.0078960200000000 ] - [ -0.0062521500000000, -0.1777773300000000, 0.0056088900000000 ] - [ -0.0056490600000000, 0.0817481800000000, 0.0043773700000000 ] - [ -0.0071525900000000, 0.0811704000000000, 0.0071355400000000 ] - [ -0.0075864000000000, -0.0116107700000000, 0.0047702600000000 ] - [ -0.0079517600000000, 0.0059214100000000, 0.0044930900000000 ] - [ -0.0071358200000000, 0.0060082800000000, 0.0050410100000000 ] - [ -0.0067638000000000, -0.0066465700000000, 0.0037706000000000 ] - [ -0.0059948000000000, 0.0035587000000000, -0.0076700400000000 ] - [ -0.0075183300000000, 0.0036229900000000, 0.0149047500000000 ] - [ -0.0069598400000000, -0.0042517500000000, 0.0044697900000000 ] - [ -0.0068509900000000, 0.0021492200000000, 0.0078731600000000 ] - [ -0.0070605800000000, 0.0021539200000000, 0.0011015800000000 ] - [ -0.0087622200000000, -0.0007190800000000, 0.0025062900000000 ] - [ -0.0087110100000000, 0.0003598100000000, 0.0032716600000000 ] - [ -0.0088116700000000, 0.0003623400000000, 0.0017489200000000 ] - [ -0.0070049000000000, -0.0064383900000000, 0.0050835600000000 ] - [ -0.0064425800000000, 0.0034388500000000, 0.0163803200000000 ] - [ -0.0075538100000000, 0.0034773200000000, -0.0060100400000000 ]- atom: 133 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ 0.0000508000000000, 0.0009138400000000, 0.0015841200000000 ] - [ 0.0000508000000000, -0.0009138400000000, 0.0015841200000000 ] - [ -0.0003557200000000, 0.0000000000000000, 0.0006576900000000 ] - [ -0.0001776700000000, -0.0000050000000000, 0.0015080600000000 ] - [ -0.0001776700000000, 0.0000050000000000, 0.0015080600000000 ] - [ -0.0001677100000000, 0.0000000000000000, 0.0012472000000000 ] - [ -0.0001190100000000, 0.0000026100000000, 0.0019202600000000 ] - [ -0.0001190100000000, -0.0000026100000000, 0.0019202600000000 ] - [ -0.0001280500000000, 0.0000000000000000, 0.0016393200000000 ] - [ 0.0046634800000000, -0.0040259100000000, -0.0036146900000000 ] - [ 0.0046634800000000, 0.0040259100000000, -0.0036146900000000 ] - [ 0.0044564000000000, 0.0000000000000000, -0.0030420700000000 ] - [ 0.0100020800000000, -0.0009880200000000, -0.0053120000000000 ] - [ 0.0100020800000000, 0.0009880200000000, -0.0053120000000000 ] - [ 0.0098431100000000, 0.0000000000000000, -0.0048369400000000 ] - [ 0.0010399800000000, -0.0015101000000000, -0.0097526800000000 ] - [ 0.0010399800000000, 0.0015101000000000, -0.0097526800000000 ] - [ 0.0011045800000000, 0.0000000000000000, -0.0091820800000000 ] - [ -0.0006233100000000, 0.0000000000000000, 0.0106101000000000 ] - [ -0.0007766500000000, 0.0016245800000000, 0.0049889500000000 ] - [ -0.0007766500000000, -0.0016245800000000, 0.0049889500000000 ] - [ -0.0114302500000000, 0.0000000000000000, -0.0065797100000000 ] - [ 0.0005670300000000, 0.0016939300000000, 0.0005584900000000 ] - [ 0.0005670300000000, -0.0016939300000000, 0.0005584900000000 ] - [ 0.0002384300000000, 0.0000000000000000, -0.0198164300000000 ] - [ -0.0003618800000000, 0.0017501100000000, -0.0075374800000000 ] - [ -0.0003618800000000, -0.0017501100000000, -0.0075374800000000 ] - [ 0.0159995000000000, 0.0000000000000000, -0.0075451600000000 ] - [ 0.0033013500000000, 0.0018953400000000, 0.0004848500000000 ] - [ 0.0033013500000000, -0.0018953400000000, 0.0004848500000000 ] - [ 0.0010234300000000, 0.0000000000000000, -0.0094934100000000 ] - [ 0.0004362600000000, 0.0006385200000000, -0.0046172800000000 ] - [ 0.0004362600000000, -0.0006385200000000, -0.0046172800000000 ] - [ 0.0000794900000000, 0.0000000000000000, 0.0190585600000000 ] - [ 0.0026183300000000, -0.0002711300000000, 0.0035194700000000 ] - [ 0.0026183300000000, 0.0002711300000000, 0.0035194700000000 ] - [ 0.0037568100000000, 0.0000000000000000, 0.0481996600000000 ] - [ 0.0007928400000000, 0.0014990100000000, 0.0076746500000000 ] - [ 0.0007928400000000, -0.0014990100000000, 0.0076746500000000 ] - [ -0.0013891200000000, 0.0000000000000000, -0.0093587800000000 ] - [ -0.0007972100000000, -0.0006596300000000, -0.0046098000000000 ] - [ -0.0007972100000000, 0.0006596300000000, -0.0046098000000000 ] - [ 0.0144202500000000, 0.0000000000000000, -0.0057868500000000 ] - [ 0.0038093900000000, -0.0016094800000000, 0.0005971700000000 ] - [ 0.0038093900000000, 0.0016094800000000, 0.0005971700000000 ] - [ -0.0023281900000000, 0.0000000000000000, 0.0047375600000000 ] - [ -0.0005996800000000, -0.0020164500000000, 0.0067108800000000 ] - [ -0.0005996800000000, 0.0020164500000000, 0.0067108800000000 ] - [ 0.0041335800000000, 0.0000000000000000, 0.0242871900000000 ] - [ 0.0025696500000000, -0.0002251700000000, 0.0040033400000000 ] - [ 0.0025696500000000, 0.0002251700000000, 0.0040033400000000 ] - [ -0.0005695300000000, 0.0000000000000000, 0.0090776500000000 ] - [ 0.0000984700000000, -0.0014397400000000, 0.0039740400000000 ] - [ 0.0000984700000000, 0.0014397400000000, 0.0039740400000000 ] - [ 0.0034589800000000, 0.0000000000000000, -0.0033565400000000 ] - [ 0.0031991500000000, -0.0003779300000000, -0.0021031000000000 ] - [ 0.0031991500000000, 0.0003779300000000, -0.0021031000000000 ] - [ -0.0003951400000000, 0.0000000000000000, -0.0175944700000000 ] - [ -0.0003045000000000, -0.0017505600000000, -0.0062705000000000 ] - [ -0.0003045000000000, 0.0017505600000000, -0.0062705000000000 ] - [ 0.0004713600000000, 0.0000000000000000, -0.0029605700000000 ] - [ 0.0008908800000000, 0.0002223600000000, -0.0016450100000000 ] - [ 0.0008908800000000, -0.0002223600000000, -0.0016450100000000 ] - [ 0.0005386000000000, 0.0000000000000000, -0.0120421400000000 ] - [ 0.0004582700000000, -0.0000062900000000, -0.0078882200000000 ] - [ 0.0004582700000000, 0.0000062900000000, -0.0078882200000000 ] - [ 0.0018053800000000, 0.0000000000000000, -0.0029201400000000 ] - [ 0.0021303800000000, -0.0002582300000000, -0.0017453800000000 ] - [ 0.0021303800000000, 0.0002582300000000, -0.0017453800000000 ] - [ -0.0000270200000000, 0.0000000000000000, -0.0109427600000000 ] - [ -0.0000410500000000, 0.0000110700000000, -0.0082998900000000 ] - [ -0.0000410500000000, -0.0000110700000000, -0.0082998900000000 ] - [ -0.0130249700000000, 0.0000000000000000, -0.0070044400000000 ] - [ 0.0010563400000000, -0.0016883200000000, 0.0003853000000000 ] - [ 0.0010563400000000, 0.0016883200000000, 0.0003853000000000 ] - [ 0.0031940300000000, 0.0000000000000000, -0.0026055100000000 ] - [ 0.0028260200000000, 0.0002475300000000, -0.0013513800000000 ] - [ 0.0028260200000000, -0.0002475300000000, -0.0013513800000000 ] - [ 0.0055267600000000, 0.0002626800000000, 0.0014675100000000 ] - [ 0.0055267600000000, -0.0002626800000000, 0.0014675100000000 ] - [ 0.0055284900000000, 0.0000000000000000, -0.0007469700000000 ] - [ 0.0043715400000000, 0.0038015700000000, -0.0035191900000000 ] - [ 0.0043715400000000, -0.0038015700000000, -0.0035191900000000 ] - [ 0.0046366000000000, 0.0000000000000000, -0.0031237700000000 ] - [ 0.0052670300000000, -0.0175579600000000, -0.0102139000000000 ] - [ 0.0052670300000000, 0.0175579600000000, -0.0102139000000000 ] - [ 0.0047251100000000, 0.0000000000000000, -0.0019766800000000 ] - [ 0.0068039500000000, 0.0009863900000000, -0.0027652500000000 ] - [ 0.0068039500000000, -0.0009863900000000, -0.0027652500000000 ] - [ 0.0068624500000000, 0.0000000000000000, -0.0022074400000000 ] - [ 0.0048237300000000, -0.0020498200000000, 0.0164336000000000 ] - [ 0.0048237300000000, 0.0020498200000000, 0.0164336000000000 ] - [ 0.0046875600000000, 0.0000000000000000, -0.0006595300000000 ] - [ 0.0055152200000000, 0.0168268500000000, -0.0106784700000000 ] - [ 0.0055152200000000, -0.0168268500000000, -0.0106784700000000 ] - [ 0.0054718700000000, 0.0000000000000000, -0.0039347200000000 ] - [ 0.0070233300000000, 0.0013869000000000, 0.0018847000000000 ] - [ 0.0070233300000000, -0.0013869000000000, 0.0018847000000000 ] - [ 0.0070367500000000, 0.0000000000000000, 0.0024333200000000 ] - [ -0.0010762300000000, 0.0024612700000000, 0.0036109800000000 ] - [ -0.0010762300000000, -0.0024612700000000, 0.0036109800000000 ] - [ -0.0000619200000000, 0.0000000000000000, 0.0015385700000000 ] - [ 0.0131666600000000, 0.0146804600000000, -0.0015369100000000 ] - [ 0.0131666600000000, -0.0146804600000000, -0.0015369100000000 ] - [ -0.0000764500000000, 0.0000000000000000, -0.0027801300000000 ] - [ -0.0126149000000000, -0.0130612500000000, -0.0019930200000000 ] - [ -0.0126149000000000, 0.0130612500000000, -0.0019930200000000 ] - [ -0.0007250400000000, 0.0000000000000000, -0.0030647800000000 ] - [ -0.0128978900000000, 0.0131048300000000, -0.0018497800000000 ] - [ -0.0128978900000000, -0.0131048300000000, -0.0018497800000000 ] - [ -0.0002647100000000, 0.0000000000000000, -0.0030711800000000 ] - [ 0.0114658900000000, -0.0126994100000000, -0.0015449500000000 ] - [ 0.0114658900000000, 0.0126994100000000, -0.0015449500000000 ] - [ -0.0003015300000000, 0.0000000000000000, -0.0029945000000000 ] - [ -0.0011918400000000, -0.0018940900000000, 0.0033945900000000 ] - [ -0.0011918400000000, 0.0018940900000000, 0.0033945900000000 ] - [ -0.0002865000000000, 0.0000000000000000, 0.0014473900000000 ] - [ 0.0008159000000000, -0.0022974900000000, 0.0031856400000000 ] - [ 0.0008159000000000, 0.0022974900000000, 0.0031856400000000 ] - [ -0.0001694800000000, 0.0000000000000000, 0.0011676000000000 ] - [ -0.0109827900000000, 0.0000000000000000, 0.0122059400000000 ] - [ -0.0101983900000000, 0.0012008200000000, 0.0055381400000000 ] - [ -0.0101983900000000, -0.0012008200000000, 0.0055381400000000 ] - [ -0.0122222000000000, 0.0000000000000000, 0.0171572000000000 ] - [ -0.0118636500000000, -0.0009530100000000, 0.0124336000000000 ] - [ -0.0118636500000000, 0.0009530100000000, 0.0124336000000000 ] - [ -0.0013913400000000, 0.0000000000000000, 0.0250480200000000 ] - [ -0.0022277300000000, -0.0012936100000000, 0.0178698200000000 ] - [ -0.0022277300000000, 0.0012936100000000, 0.0178698200000000 ] - [ -0.0040506300000000, 0.0000000000000000, 0.0037749400000000 ] - [ -0.0056498100000000, -0.0034761900000000, 0.0039160200000000 ] - [ -0.0056498100000000, 0.0034761900000000, 0.0039160200000000 ] - [ -0.0073566500000000, 0.0000000000000000, -0.2072488300000000 ] - [ -0.0066603400000000, 0.0012819400000000, -0.0068258200000000 ] - [ -0.0066603400000000, -0.0012819400000000, -0.0068258200000000 ] - [ -0.0080212600000000, 0.0000000000000000, -0.0134580800000000 ] - [ -0.0077525100000000, 0.0002090400000000, -0.0051662500000000 ] - [ -0.0077525100000000, -0.0002090400000000, -0.0051662500000000 ] - [ -0.0125746700000000, 0.0000000000000000, 0.0761802600000000 ] - [ -0.0070050100000000, -0.0119954300000000, 0.0019857100000000 ] - [ -0.0070050100000000, 0.0119954300000000, 0.0019857100000000 ] - [ -0.0058684100000000, 0.0000000000000000, 0.0031156500000000 ] - [ -0.0070350100000000, 0.0031904900000000, 0.0031098700000000 ] - [ -0.0070350100000000, -0.0031904900000000, 0.0031098700000000 ] - [ -0.0081060100000000, 0.0000000000000000, 0.0128869300000000 ] - [ -0.0084810600000000, 0.0008999100000000, 0.0086125800000000 ] - [ -0.0084810600000000, -0.0008999100000000, 0.0086125800000000 ] - [ -0.0020811500000000, 0.0000000000000000, 0.0764011000000000 ] - [ -0.0067052000000000, 0.0112562800000000, 0.0032199900000000 ] - [ -0.0067052000000000, -0.0112562800000000, 0.0032199900000000 ]- atom: 133 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0011223700000000, -0.0009145800000000, -0.0017160000000000 ] - [ -0.0011223700000000, 0.0009145800000000, -0.0017160000000000 ] - [ -0.0007133600000000, 0.0000000000000000, -0.0007854100000000 ] - [ -0.0000881400000000, 0.0000040800000000, -0.0013854500000000 ] - [ -0.0000881400000000, -0.0000040800000000, -0.0013854500000000 ] - [ -0.0000984200000000, 0.0000000000000000, -0.0011263000000000 ] - [ -0.0001926000000000, -0.0000033800000000, -0.0012936800000000 ] - [ -0.0001926000000000, 0.0000033800000000, -0.0012936800000000 ] - [ -0.0001834000000000, 0.0000000000000000, -0.0010141600000000 ] - [ 0.0043137400000000, 0.0040199000000000, -0.0037918200000000 ] - [ 0.0043137400000000, -0.0040199000000000, -0.0037918200000000 ] - [ 0.0045190600000000, 0.0000000000000000, -0.0043603700000000 ] - [ 0.0092711600000000, 0.0009877500000000, -0.0015837800000000 ] - [ 0.0092711600000000, -0.0009877500000000, -0.0015837800000000 ] - [ 0.0094307200000000, 0.0000000000000000, -0.0020590600000000 ] - [ 0.0017169200000000, 0.0015089400000000, -0.0046868900000000 ] - [ 0.0017169200000000, -0.0015089400000000, -0.0046868900000000 ] - [ 0.0016520400000000, 0.0000000000000000, -0.0052578000000000 ] - [ -0.0006235500000000, 0.0000000000000000, -0.0133087200000000 ] - [ -0.0005132700000000, -0.0016294300000000, -0.0075943000000000 ] - [ -0.0005132700000000, 0.0016294300000000, -0.0075943000000000 ] - [ 0.0154249000000000, 0.0000000000000000, 0.0071210100000000 ] - [ 0.0033673900000000, -0.0016989000000000, -0.0000486800000000 ] - [ 0.0033673900000000, 0.0016989000000000, -0.0000486800000000 ] - [ -0.0008746100000000, 0.0000000000000000, 0.0157865100000000 ] - [ -0.0002768900000000, -0.0017533400000000, 0.0035483400000000 ] - [ -0.0002768900000000, 0.0017533400000000, 0.0035483400000000 ] - [ -0.0120970300000000, 0.0000000000000000, 0.0076829500000000 ] - [ 0.0006011200000000, -0.0018970100000000, -0.0003818000000000 ] - [ 0.0006011200000000, 0.0018970100000000, -0.0003818000000000 ] - [ -0.0011187300000000, 0.0000000000000000, 0.0068009900000000 ] - [ -0.0005352000000000, -0.0006385700000000, 0.0019430400000000 ] - [ -0.0005352000000000, 0.0006385700000000, 0.0019430400000000 ] - [ 0.0050923800000000, 0.0000000000000000, -0.0193672200000000 ] - [ 0.0019232500000000, 0.0002852400000000, -0.0036865500000000 ] - [ 0.0019232500000000, -0.0002852400000000, -0.0036865500000000 ] - [ -0.0036293100000000, 0.0000000000000000, -0.0579051300000000 ] - [ -0.0001097700000000, -0.0014600100000000, -0.0101932300000000 ] - [ -0.0001097700000000, 0.0014600100000000, -0.0101932300000000 ] - [ 0.0003747100000000, 0.0000000000000000, 0.0054297800000000 ] - [ -0.0002150400000000, 0.0006547800000000, 0.0007146600000000 ] - [ -0.0002150400000000, -0.0006547800000000, 0.0007146600000000 ] - [ -0.0093264900000000, 0.0000000000000000, 0.0067833000000000 ] - [ 0.0011629400000000, 0.0015949700000000, 0.0004878700000000 ] - [ 0.0011629400000000, -0.0015949700000000, 0.0004878700000000 ] - [ 0.0011422700000000, 0.0000000000000000, -0.0032312900000000 ] - [ -0.0003592100000000, 0.0020243300000000, -0.0089362700000000 ] - [ -0.0003592100000000, -0.0020243300000000, -0.0089362700000000 ] - [ 0.0005255100000000, 0.0000000000000000, -0.0235365700000000 ] - [ 0.0026716400000000, 0.0002448600000000, -0.0031046600000000 ] - [ 0.0026716400000000, -0.0002448600000000, -0.0031046600000000 ] - [ 0.0008637400000000, 0.0000000000000000, -0.0119652300000000 ] - [ 0.0001671900000000, 0.0014297200000000, -0.0069536400000000 ] - [ 0.0001671900000000, -0.0014297200000000, -0.0069536400000000 ] - [ 0.0024145400000000, 0.0000000000000000, 0.0026402700000000 ] - [ 0.0026742200000000, 0.0003747200000000, 0.0013953700000000 ] - [ 0.0026742200000000, -0.0003747200000000, 0.0013953700000000 ] - [ -0.0001741300000000, 0.0000000000000000, 0.0147306800000000 ] - [ -0.0002603100000000, 0.0017324800000000, 0.0034217200000000 ] - [ -0.0002603100000000, -0.0017324800000000, 0.0034217200000000 ] - [ 0.0023564900000000, 0.0000000000000000, 0.0025872200000000 ] - [ 0.0019372900000000, -0.0002226500000000, 0.0012735400000000 ] - [ 0.0019372900000000, 0.0002226500000000, 0.0012735400000000 ] - [ 0.0002972000000000, 0.0000000000000000, 0.0110904500000000 ] - [ 0.0003787100000000, 0.0000059400000000, 0.0069475500000000 ] - [ 0.0003787100000000, -0.0000059400000000, 0.0069475500000000 ] - [ 0.0028927100000000, 0.0000000000000000, 0.0025759000000000 ] - [ 0.0025656100000000, 0.0002562600000000, 0.0014075300000000 ] - [ 0.0025656100000000, -0.0002562600000000, 0.0014075300000000 ] - [ -0.0002216700000000, 0.0000000000000000, 0.0067810300000000 ] - [ -0.0002095400000000, -0.0000116800000000, 0.0041498700000000 ] - [ -0.0002095400000000, 0.0000116800000000, 0.0041498700000000 ] - [ 0.0177696100000000, 0.0000000000000000, 0.0072817500000000 ] - [ 0.0037983200000000, 0.0016762300000000, -0.0000038300000000 ] - [ 0.0037983200000000, -0.0016762300000000, -0.0000038300000000 ] - [ 0.0016373500000000, 0.0000000000000000, 0.0031177800000000 ] - [ 0.0020027800000000, -0.0002477400000000, 0.0018670900000000 ] - [ 0.0020027800000000, 0.0002477400000000, 0.0018670900000000 ] - [ 0.0055469500000000, -0.0003137200000000, -0.0083807800000000 ] - [ 0.0055469500000000, 0.0003137200000000, -0.0083807800000000 ] - [ 0.0055284500000000, 0.0000000000000000, -0.0061781800000000 ] - [ 0.0049283200000000, -0.0037765500000000, -0.0032856200000000 ] - [ 0.0049283200000000, 0.0037765500000000, -0.0032856200000000 ] - [ 0.0046635700000000, 0.0000000000000000, -0.0036837900000000 ] - [ 0.0046241900000000, 0.0175686300000000, 0.0050970800000000 ] - [ 0.0046241900000000, -0.0175686300000000, 0.0050970800000000 ] - [ 0.0051693800000000, 0.0000000000000000, -0.0032057200000000 ] - [ 0.0070412600000000, -0.0009802500000000, 0.0014104500000000 ] - [ 0.0070412600000000, 0.0009802500000000, 0.0014104500000000 ] - [ 0.0069822300000000, 0.0000000000000000, 0.0008573400000000 ] - [ 0.0046095500000000, 0.0025690200000000, -0.0252330700000000 ] - [ 0.0046095500000000, -0.0025690200000000, -0.0252330700000000 ] - [ 0.0047533400000000, 0.0000000000000000, -0.0080074700000000 ] - [ 0.0048910800000000, -0.0166823300000000, 0.0025809900000000 ] - [ 0.0048910800000000, 0.0166823300000000, 0.0025809900000000 ] - [ 0.0049336100000000, 0.0000000000000000, -0.0040522900000000 ] - [ 0.0067310000000000, -0.0013801700000000, 0.0068374900000000 ] - [ 0.0067310000000000, 0.0013801700000000, 0.0068374900000000 ] - [ 0.0067179400000000, 0.0000000000000000, 0.0062914500000000 ] - [ 0.0019397300000000, -0.0024610800000000, -0.0033913500000000 ] - [ 0.0019397300000000, 0.0024610800000000, -0.0033913500000000 ] - [ 0.0009201900000000, 0.0000000000000000, -0.0013135600000000 ] - [ -0.0138935200000000, -0.0148137100000000, 0.0017223400000000 ] - [ -0.0138935200000000, 0.0148137100000000, 0.0017223400000000 ] - [ -0.0005176800000000, 0.0000000000000000, 0.0029575500000000 ] - [ 0.0116820500000000, 0.0129039100000000, 0.0015921500000000 ] - [ 0.0116820500000000, -0.0129039100000000, 0.0015921500000000 ] - [ -0.0000640200000000, 0.0000000000000000, 0.0027038000000000 ] - [ 0.0129442400000000, -0.0131929800000000, 0.0019797400000000 ] - [ 0.0129442400000000, 0.0131929800000000, 0.0019797400000000 ] - [ 0.0001833500000000, 0.0000000000000000, 0.0031699400000000 ] - [ -0.0124919300000000, 0.0125788800000000, 0.0015397100000000 ] - [ -0.0124919300000000, -0.0125788800000000, 0.0015397100000000 ] - [ -0.0008645300000000, 0.0000000000000000, 0.0030461300000000 ] - [ 0.0013603400000000, 0.0018790600000000, -0.0033147600000000 ] - [ 0.0013603400000000, -0.0018790600000000, -0.0033147600000000 ] - [ 0.0004651100000000, 0.0000000000000000, -0.0013877500000000 ] - [ -0.0020188800000000, 0.0022798600000000, -0.0034888300000000 ] - [ -0.0020188800000000, -0.0022798600000000, -0.0034888300000000 ] - [ -0.0010433400000000, 0.0000000000000000, -0.0014898300000000 ] - [ -0.0078955400000000, 0.0000000000000000, -0.0187600300000000 ] - [ -0.0086780600000000, -0.0011939700000000, -0.0121176200000000 ] - [ -0.0086780600000000, 0.0011939700000000, -0.0121176200000000 ] - [ -0.0101499600000000, 0.0000000000000000, -0.0067390000000000 ] - [ -0.0105024000000000, 0.0009535500000000, -0.0020298800000000 ] - [ -0.0105024000000000, -0.0009535500000000, -0.0020298800000000 ] - [ -0.0055281400000000, 0.0000000000000000, -0.0080059100000000 ] - [ -0.0046921700000000, 0.0012938200000000, -0.0008420600000000 ] - [ -0.0046921700000000, -0.0012938200000000, -0.0008420600000000 ] - [ -0.0079282200000000, 0.0000000000000000, 0.0061524800000000 ] - [ -0.0062880600000000, 0.0034709800000000, 0.0059268100000000 ] - [ -0.0062880600000000, -0.0034709800000000, 0.0059268100000000 ] - [ -0.0045956400000000, 0.0000000000000000, 0.2226149500000000 ] - [ -0.0061376900000000, -0.0014758000000000, 0.0183021300000000 ] - [ -0.0061376900000000, 0.0014758000000000, 0.0183021300000000 ] - [ -0.0072050800000000, 0.0000000000000000, 0.0229262700000000 ] - [ -0.0073019000000000, -0.0002324800000000, 0.0146877500000000 ] - [ -0.0073019000000000, 0.0002324800000000, 0.0146877500000000 ] - [ -0.0009618500000000, 0.0000000000000000, -0.0692090900000000 ] - [ -0.0065140800000000, 0.0120145500000000, 0.0053528600000000 ] - [ -0.0065140800000000, -0.0120145500000000, 0.0053528600000000 ] - [ -0.0080618300000000, 0.0000000000000000, 0.0057721000000000 ] - [ -0.0068799000000000, -0.0031718100000000, 0.0058256900000000 ] - [ -0.0068799000000000, 0.0031718100000000, 0.0058256900000000 ] - [ -0.0094186400000000, 0.0000000000000000, -0.0078283900000000 ] - [ -0.0090421500000000, -0.0008924500000000, -0.0035835500000000 ] - [ -0.0090421500000000, 0.0008924500000000, -0.0035835500000000 ] - [ -0.0118837800000000, 0.0000000000000000, -0.0651580600000000 ] - [ -0.0072936300000000, -0.0111509900000000, 0.0070336800000000 ] - [ -0.0072936300000000, 0.0111509900000000, 0.0070336800000000 ]- atom: 136 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005427500000000, 0.0000335900000000, -0.0000879200000000 ] - [ -0.0005427500000000, -0.0000335900000000, -0.0000879200000000 ] - [ -0.0005319800000000, 0.0000000000000000, -0.0000836400000000 ] - [ -0.0001368500000000, -0.0000057500000000, 0.0000875600000000 ] - [ -0.0001368500000000, 0.0000057500000000, 0.0000875600000000 ] - [ -0.0001372600000000, 0.0000000000000000, 0.0000843100000000 ] - [ -0.0001549000000000, -0.0000043700000000, 0.0003445600000000 ] - [ -0.0001549000000000, 0.0000043700000000, 0.0003445600000000 ] - [ -0.0001528900000000, 0.0000000000000000, 0.0003393900000000 ] - [ 0.0052696600000000, -0.0001751200000000, -0.0039495900000000 ] - [ 0.0052696600000000, 0.0001751200000000, -0.0039495900000000 ] - [ 0.0046184100000000, 0.0000000000000000, -0.0038382700000000 ] - [ 0.0096436200000000, 0.0000074600000000, -0.0034898000000000 ] - [ 0.0096436200000000, -0.0000074600000000, -0.0034898000000000 ] - [ 0.0096499000000000, 0.0000000000000000, -0.0034901600000000 ] - [ 0.0013727800000000, -0.0000062800000000, -0.0072578200000000 ] - [ 0.0013727800000000, 0.0000062800000000, -0.0072578200000000 ] - [ 0.0013659500000000, 0.0000000000000000, -0.0072504700000000 ] - [ 0.0172917600000000, 0.0000000000000000, -0.0008952700000000 ] - [ 0.0000146100000000, 0.0003075400000000, -0.0017040500000000 ] - [ 0.0000146100000000, -0.0003075400000000, -0.0017040500000000 ] - [ 0.0023194700000000, 0.0000000000000000, -0.0001676400000000 ] - [ 0.0022215200000000, -0.0005074000000000, 0.0007444400000000 ] - [ 0.0022215200000000, 0.0005074000000000, 0.0007444400000000 ] - [ -0.0005089600000000, 0.0000000000000000, -0.0021814200000000 ] - [ -0.0003950200000000, -0.0000138100000000, -0.0020999700000000 ] - [ -0.0003950200000000, 0.0000138100000000, -0.0020999700000000 ] - [ 0.0006906200000000, 0.0000000000000000, -0.0009749300000000 ] - [ 0.0016504500000000, 0.0006058700000000, -0.0005444400000000 ] - [ 0.0016504500000000, -0.0006058700000000, -0.0005444400000000 ] - [ 0.0000547000000000, 0.0000000000000000, -0.0016269500000000 ] - [ 0.0000023600000000, 0.0000220500000000, -0.0014736000000000 ] - [ 0.0000023600000000, -0.0000220500000000, -0.0014736000000000 ] - [ 0.0615111900000000, 0.0000000000000000, 0.0028997600000000 ] - [ 0.0028455900000000, 0.0002756400000000, 0.0001644000000000 ] - [ 0.0028455900000000, -0.0002756400000000, 0.0001644000000000 ] - [ -0.0150294700000000, 0.0000000000000000, -0.0002049800000000 ] - [ -0.0002519300000000, -0.0002234900000000, -0.0011505300000000 ] - [ -0.0002519300000000, 0.0002234900000000, -0.0011505300000000 ] - [ -0.0003018800000000, 0.0000000000000000, -0.0019651400000000 ] - [ -0.0004456700000000, 0.0000013500000000, -0.0019324900000000 ] - [ -0.0004456700000000, -0.0000013500000000, -0.0019324900000000 ] - [ 0.0029223100000000, 0.0000000000000000, 0.0005861800000000 ] - [ 0.0027381900000000, -0.0005655100000000, 0.0000247600000000 ] - [ 0.0027381900000000, 0.0005655100000000, 0.0000247600000000 ] - [ -0.0151507100000000, 0.0000000000000000, -0.0028787300000000 ] - [ -0.0012109500000000, -0.0003011400000000, -0.0009798000000000 ] - [ -0.0012109500000000, 0.0003011400000000, -0.0009798000000000 ] - [ -0.0308151700000000, 0.0000000000000000, -0.0002584300000000 ] - [ 0.0018799400000000, 0.0003592700000000, 0.0005134800000000 ] - [ 0.0018799400000000, -0.0003592700000000, 0.0005134800000000 ] - [ 0.0153887900000000, 0.0000000000000000, -0.0035061500000000 ] - [ 0.0008415200000000, 0.0002242500000000, -0.0009194400000000 ] - [ 0.0008415200000000, -0.0002242500000000, -0.0009194400000000 ] - [ 0.0029235500000000, 0.0000000000000000, -0.0003980300000000 ] - [ 0.0029511000000000, -0.0000017300000000, -0.0003971600000000 ] - [ 0.0029511000000000, 0.0000017300000000, -0.0003971600000000 ] - [ -0.0005066600000000, 0.0000000000000000, -0.0018584900000000 ] - [ -0.0003547400000000, -0.0000515400000000, -0.0015103100000000 ] - [ -0.0003547400000000, 0.0000515400000000, -0.0015103100000000 ] - [ 0.0013643700000000, 0.0000000000000000, -0.0002739900000000 ] - [ 0.0014146400000000, 0.0000038900000000, -0.0002120100000000 ] - [ 0.0014146400000000, -0.0000038900000000, -0.0002120100000000 ] - [ 0.0004487600000000, 0.0000000000000000, -0.0006946800000000 ] - [ 0.0004163300000000, -0.0000046000000000, -0.0006099900000000 ] - [ 0.0004163300000000, 0.0000046000000000, -0.0006099900000000 ] - [ 0.0023588600000000, 0.0000000000000000, -0.0002166800000000 ] - [ 0.0023322500000000, -0.0000110500000000, -0.0001941600000000 ] - [ 0.0023322500000000, 0.0000110500000000, -0.0001941600000000 ] - [ -0.0001247400000000, 0.0000000000000000, -0.0022524900000000 ] - [ -0.0001223300000000, -0.0000042600000000, -0.0021975100000000 ] - [ -0.0001223300000000, 0.0000042600000000, -0.0021975100000000 ] - [ 0.0014278500000000, 0.0000000000000000, 0.0004495800000000 ] - [ 0.0021832400000000, 0.0004370800000000, 0.0006679100000000 ] - [ 0.0021832400000000, -0.0004370800000000, 0.0006679100000000 ] - [ 0.0024563200000000, 0.0000000000000000, 0.0001773800000000 ] - [ 0.0024105600000000, -0.0000019100000000, 0.0002187400000000 ] - [ 0.0024105600000000, 0.0000019100000000, 0.0002187400000000 ] - [ 0.0230868500000000, 0.0036452300000000, -0.0033154300000000 ] - [ 0.0230868500000000, -0.0036452300000000, -0.0033154300000000 ] - [ 0.0059258400000000, 0.0000000000000000, -0.0034329500000000 ] - [ 0.0053278600000000, -0.0000732200000000, -0.0032257200000000 ] - [ 0.0053278600000000, 0.0000732200000000, -0.0032257200000000 ] - [ 0.0047815200000000, 0.0000000000000000, -0.0032955600000000 ] - [ 0.0041797900000000, -0.0000065600000000, -0.0024154600000000 ] - [ 0.0041797900000000, 0.0000065600000000, -0.0024154600000000 ] - [ 0.0047864600000000, 0.0000000000000000, -0.0025552900000000 ] - [ 0.0069215700000000, 0.0000365000000000, -0.0007119200000000 ] - [ 0.0069215700000000, -0.0000365000000000, -0.0007119200000000 ] - [ 0.0069349200000000, 0.0000000000000000, -0.0006930700000000 ] - [ -0.0104301700000000, 0.0000659400000000, -0.0040824300000000 ] - [ -0.0104301700000000, -0.0000659400000000, -0.0040824300000000 ] - [ 0.0043551500000000, 0.0000000000000000, -0.0042826200000000 ] - [ 0.0045212700000000, 0.0003197900000000, -0.0042649000000000 ] - [ 0.0045212700000000, -0.0003197900000000, -0.0042649000000000 ] - [ 0.0050753900000000, 0.0000000000000000, -0.0040194400000000 ] - [ 0.0068803800000000, 0.0000478800000000, 0.0043128700000000 ] - [ 0.0068803800000000, -0.0000478800000000, 0.0043128700000000 ] - [ 0.0068706800000000, 0.0000000000000000, 0.0043252700000000 ] - [ 0.0004406500000000, 0.0000303200000000, 0.0002885500000000 ] - [ 0.0004406500000000, -0.0000303200000000, 0.0002885500000000 ] - [ 0.0004344800000000, 0.0000000000000000, 0.0002413700000000 ] - [ 0.0032456200000000, -0.0122161100000000, -0.0126294000000000 ] - [ 0.0032456200000000, 0.0122161100000000, -0.0126294000000000 ] - [ -0.0003864100000000, 0.0000000000000000, 0.0001455200000000 ] - [ 0.0030021300000000, -0.0139767200000000, 0.0127287700000000 ] - [ 0.0030021300000000, 0.0139767200000000, 0.0127287700000000 ] - [ -0.0004681300000000, 0.0000000000000000, -0.0003684400000000 ] - [ 0.0041523200000000, 0.0106678700000000, 0.0108213700000000 ] - [ 0.0041523200000000, -0.0106678700000000, 0.0108213700000000 ] - [ 0.0000245600000000, 0.0000000000000000, -0.0000022800000000 ] - [ 0.0033823200000000, 0.0104358000000000, -0.0105365700000000 ] - [ 0.0033823200000000, -0.0104358000000000, -0.0105365700000000 ] - [ -0.0005191200000000, 0.0000000000000000, -0.0000672500000000 ] - [ 0.0000374800000000, -0.0000197100000000, 0.0002300900000000 ] - [ 0.0000374800000000, 0.0000197100000000, 0.0002300900000000 ] - [ 0.0000674000000000, 0.0000000000000000, 0.0001392000000000 ] - [ -0.0005585600000000, -0.0000727700000000, -0.0001939600000000 ] - [ -0.0005585600000000, 0.0000727700000000, -0.0001939600000000 ] - [ -0.0005922200000000, 0.0000000000000000, -0.0002182100000000 ] - [ -0.0095119200000000, 0.0000000000000000, -0.0029957500000000 ] - [ -0.0094340900000000, 0.0000388900000000, -0.0031254300000000 ] - [ -0.0094340900000000, -0.0000388900000000, -0.0031254300000000 ] - [ -0.0112040700000000, 0.0000000000000000, 0.0054528000000000 ] - [ -0.0112141200000000, 0.0000060400000000, 0.0053833500000000 ] - [ -0.0112141200000000, -0.0000060400000000, 0.0053833500000000 ] - [ -0.0034547500000000, 0.0000000000000000, 0.0088775400000000 ] - [ -0.0034229900000000, -0.0000042000000000, 0.0086851700000000 ] - [ -0.0034229900000000, 0.0000042000000000, 0.0086851700000000 ] - [ -0.0069377200000000, 0.0000000000000000, 0.0066154700000000 ] - [ -0.0067071100000000, -0.0001370300000000, 0.0052395700000000 ] - [ -0.0067071100000000, 0.0001370300000000, 0.0052395700000000 ] - [ 0.1311521400000000, 0.0000000000000000, 0.0054600800000000 ] - [ -0.0053661700000000, 0.0004506800000000, 0.0055320400000000 ] - [ -0.0053661700000000, -0.0004506800000000, 0.0055320400000000 ] - [ -0.2079514300000000, 0.0000000000000000, 0.0036841000000000 ] - [ -0.0086284500000000, -0.0024538700000000, 0.0045986700000000 ] - [ -0.0086284500000000, 0.0024538700000000, 0.0045986700000000 ] - [ -0.0052100900000000, 0.0000000000000000, 0.0032239800000000 ] - [ -0.0059275800000000, 0.0000924100000000, 0.0035833900000000 ] - [ -0.0059275800000000, -0.0000924100000000, 0.0035833900000000 ] - [ -0.0081905100000000, 0.0000000000000000, 0.0029040800000000 ] - [ -0.0077344100000000, 0.0000179000000000, 0.0041355000000000 ] - [ -0.0077344100000000, -0.0000179000000000, 0.0041355000000000 ] - [ -0.0087312900000000, 0.0000000000000000, 0.0027410600000000 ] - [ -0.0087751600000000, 0.0000337700000000, 0.0026004100000000 ] - [ -0.0087751600000000, -0.0000337700000000, 0.0026004100000000 ] - [ -0.0055027600000000, 0.0000000000000000, 0.0067129000000000 ] - [ -0.0061932500000000, 0.0003575200000000, 0.0052499000000000 ] - [ -0.0061932500000000, -0.0003575200000000, 0.0052499000000000 ]- atom: 136 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005308700000000, -0.0000304100000000, -0.0000417400000000 ] - [ -0.0005308700000000, 0.0000304100000000, -0.0000417400000000 ] - [ -0.0005407500000000, 0.0000000000000000, -0.0000459300000000 ] - [ -0.0001290200000000, 0.0000061800000000, 0.0000308600000000 ] - [ -0.0001290200000000, -0.0000061800000000, 0.0000308600000000 ] - [ -0.0001287200000000, 0.0000000000000000, 0.0000344100000000 ] - [ -0.0001579100000000, 0.0000042100000000, 0.0002795900000000 ] - [ -0.0001579100000000, -0.0000042100000000, 0.0002795900000000 ] - [ -0.0001589600000000, 0.0000000000000000, 0.0002841600000000 ] - [ 0.0036933500000000, 0.0001338400000000, -0.0034692600000000 ] - [ 0.0036933500000000, -0.0001338400000000, -0.0034692600000000 ] - [ 0.0043534400000000, 0.0000000000000000, -0.0035667100000000 ] - [ 0.0096283300000000, -0.0000103600000000, -0.0034022500000000 ] - [ 0.0096283300000000, 0.0000103600000000, -0.0034022500000000 ] - [ 0.0096220100000000, 0.0000000000000000, -0.0034014500000000 ] - [ 0.0013845900000000, 0.0000028400000000, -0.0071733900000000 ] - [ 0.0013845900000000, -0.0000028400000000, -0.0071733900000000 ] - [ 0.0013914500000000, 0.0000000000000000, -0.0071799600000000 ] - [ -0.0183758900000000, 0.0000000000000000, -0.0010633900000000 ] - [ -0.0013140800000000, -0.0002917000000000, -0.0009209000000000 ] - [ -0.0013140800000000, 0.0002917000000000, -0.0009209000000000 ] - [ 0.0017017400000000, 0.0000000000000000, 0.0006317000000000 ] - [ 0.0017285500000000, 0.0005057000000000, -0.0002275900000000 ] - [ 0.0017285500000000, -0.0005057000000000, -0.0002275900000000 ] - [ -0.0001206700000000, 0.0000000000000000, -0.0017820900000000 ] - [ -0.0002437400000000, 0.0000144500000000, -0.0018530100000000 ] - [ -0.0002437400000000, -0.0000144500000000, -0.0018530100000000 ] - [ 0.0031601900000000, 0.0000000000000000, 0.0010755200000000 ] - [ 0.0022380500000000, -0.0006133200000000, 0.0006642700000000 ] - [ 0.0022380500000000, 0.0006133200000000, 0.0006642700000000 ] - [ -0.0001486100000000, 0.0000000000000000, -0.0010509300000000 ] - [ -0.0001046500000000, -0.0000181700000000, -0.0011912400000000 ] - [ -0.0001046500000000, 0.0000181700000000, -0.0011912400000000 ] - [ -0.0483937800000000, 0.0000000000000000, -0.0027256300000000 ] - [ 0.0017848900000000, -0.0002497000000000, -0.0003421200000000 ] - [ 0.0017848900000000, 0.0002497000000000, -0.0003421200000000 ] - [ 0.0158129600000000, 0.0000000000000000, -0.0022014200000000 ] - [ 0.0009427400000000, 0.0002142100000000, -0.0013000200000000 ] - [ 0.0009427400000000, -0.0002142100000000, -0.0013000200000000 ] - [ -0.0006985600000000, 0.0000000000000000, -0.0019433100000000 ] - [ -0.0005669500000000, -0.0000004500000000, -0.0019597100000000 ] - [ -0.0005669500000000, 0.0000004500000000, -0.0019597100000000 ] - [ 0.0020857500000000, 0.0000000000000000, 0.0005049400000000 ] - [ 0.0022334100000000, 0.0005603400000000, 0.0010504500000000 ] - [ 0.0022334100000000, -0.0005603400000000, 0.0010504500000000 ] - [ 0.0142768300000000, 0.0000000000000000, 0.0004884700000000 ] - [ 0.0002561700000000, 0.0002856800000000, -0.0013341700000000 ] - [ 0.0002561700000000, -0.0002856800000000, -0.0013341700000000 ] - [ 0.0337561600000000, 0.0000000000000000, 0.0012127700000000 ] - [ 0.0033076300000000, -0.0003629600000000, 0.0003769400000000 ] - [ 0.0033076300000000, 0.0003629600000000, 0.0003769400000000 ] - [ -0.0149159000000000, 0.0000000000000000, -0.0001126600000000 ] - [ -0.0005864200000000, -0.0002146500000000, -0.0020660800000000 ] - [ -0.0005864200000000, 0.0002146500000000, -0.0020660800000000 ] - [ 0.0029496500000000, 0.0000000000000000, -0.0003065500000000 ] - [ 0.0029211600000000, 0.0000017400000000, -0.0003063000000000 ] - [ 0.0029211600000000, -0.0000017400000000, -0.0003063000000000 ] - [ -0.0000499600000000, 0.0000000000000000, -0.0009855200000000 ] - [ -0.0002090400000000, 0.0000503200000000, -0.0013303400000000 ] - [ -0.0002090400000000, -0.0000503200000000, -0.0013303400000000 ] - [ 0.0014677100000000, 0.0000000000000000, -0.0000941800000000 ] - [ 0.0014175900000000, -0.0000032100000000, -0.0001536700000000 ] - [ 0.0014175900000000, 0.0000032100000000, -0.0001536700000000 ] - [ 0.0003896000000000, 0.0000000000000000, -0.0002259500000000 ] - [ 0.0004207200000000, 0.0000049900000000, -0.0003075100000000 ] - [ 0.0004207200000000, -0.0000049900000000, -0.0003075100000000 ] - [ 0.0023394400000000, 0.0000000000000000, -0.0001177800000000 ] - [ 0.0023630800000000, 0.0000110900000000, -0.0001397300000000 ] - [ 0.0023630800000000, -0.0000110900000000, -0.0001397300000000 ] - [ -0.0001209300000000, 0.0000000000000000, -0.0018843200000000 ] - [ -0.0001291400000000, 0.0000047400000000, -0.0019343400000000 ] - [ -0.0001291400000000, -0.0000047400000000, -0.0019343400000000 ] - [ 0.0034178900000000, 0.0000000000000000, -0.0000849200000000 ] - [ 0.0026713300000000, -0.0004468000000000, -0.0003039600000000 ] - [ 0.0026713300000000, 0.0004468000000000, -0.0003039600000000 ] - [ 0.0023714700000000, 0.0000000000000000, 0.0003418200000000 ] - [ 0.0024135400000000, 0.0000027000000000, 0.0003032200000000 ] - [ 0.0024135400000000, -0.0000027000000000, 0.0003032200000000 ] - [ -0.0117894800000000, -0.0031679700000000, -0.0036120100000000 ] - [ -0.0117894800000000, 0.0031679700000000, -0.0036120100000000 ] - [ 0.0051420200000000, 0.0000000000000000, -0.0034976300000000 ] - [ 0.0039654500000000, 0.0000640800000000, -0.0035807000000000 ] - [ 0.0039654500000000, -0.0000640800000000, -0.0035807000000000 ] - [ 0.0045169200000000, 0.0000000000000000, -0.0035124800000000 ] - [ 0.0057158400000000, 0.0000052500000000, -0.0027310200000000 ] - [ 0.0057158400000000, -0.0000052500000000, -0.0027310200000000 ] - [ 0.0051077100000000, 0.0000000000000000, -0.0026014800000000 ] - [ 0.0069227900000000, -0.0000365100000000, -0.0006354300000000 ] - [ 0.0069227900000000, 0.0000365100000000, -0.0006354300000000 ] - [ 0.0069096900000000, 0.0000000000000000, -0.0006532200000000 ] - [ 0.0199758300000000, 0.0000124000000000, -0.0045794600000000 ] - [ 0.0199758300000000, -0.0000124000000000, -0.0045794600000000 ] - [ 0.0051035200000000, 0.0000000000000000, -0.0043819900000000 ] - [ 0.0058838900000000, -0.0003065700000000, -0.0037472600000000 ] - [ 0.0058838900000000, 0.0003065700000000, -0.0037472600000000 ] - [ 0.0053299600000000, 0.0000000000000000, -0.0039815600000000 ] - [ 0.0068734800000000, -0.0000486200000000, 0.0044172800000000 ] - [ 0.0068734800000000, 0.0000486200000000, 0.0044172800000000 ] - [ 0.0068831700000000, 0.0000000000000000, 0.0044052800000000 ] - [ 0.0004268300000000, -0.0000270300000000, -0.0000707100000000 ] - [ 0.0004268300000000, 0.0000270300000000, -0.0000707100000000 ] - [ 0.0004316200000000, 0.0000000000000000, -0.0000255900000000 ] - [ -0.0038883400000000, 0.0121000200000000, 0.0126634800000000 ] - [ -0.0038883400000000, -0.0121000200000000, 0.0126634800000000 ] - [ -0.0002280400000000, 0.0000000000000000, 0.0000359900000000 ] - [ -0.0038103400000000, 0.0138200000000000, -0.0129353400000000 ] - [ -0.0038103400000000, -0.0138200000000000, -0.0129353400000000 ] - [ -0.0003306000000000, 0.0000000000000000, 0.0000198000000000 ] - [ -0.0041682400000000, -0.0108115500000000, -0.0108928600000000 ] - [ -0.0041682400000000, 0.0108115500000000, -0.0108928600000000 ] - [ -0.0000884900000000, 0.0000000000000000, 0.0000993600000000 ] - [ -0.0045083300000000, -0.0106095500000000, 0.0107698800000000 ] - [ -0.0045083300000000, 0.0106095500000000, 0.0107698800000000 ] - [ -0.0006377900000000, 0.0000000000000000, 0.0001388200000000 ] - [ 0.0001398100000000, 0.0000200400000000, -0.0001670900000000 ] - [ 0.0001398100000000, -0.0000200400000000, -0.0001670900000000 ] - [ 0.0001104300000000, 0.0000000000000000, -0.0000771600000000 ] - [ -0.0006541100000000, 0.0000720700000000, -0.0001245000000000 ] - [ -0.0006541100000000, -0.0000720700000000, -0.0001245000000000 ] - [ -0.0006199100000000, 0.0000000000000000, -0.0001009500000000 ] - [ -0.0093664000000000, 0.0000000000000000, -0.0036066700000000 ] - [ -0.0094411500000000, -0.0000391200000000, -0.0034775200000000 ] - [ -0.0094411500000000, 0.0000391200000000, -0.0034775200000000 ] - [ -0.0111674000000000, 0.0000000000000000, 0.0049376000000000 ] - [ -0.0111496600000000, -0.0000082300000000, 0.0049999300000000 ] - [ -0.0111496600000000, 0.0000082300000000, 0.0049999300000000 ] - [ -0.0034721800000000, 0.0000000000000000, 0.0081252000000000 ] - [ -0.0035028100000000, 0.0000015200000000, 0.0083050300000000 ] - [ -0.0035028100000000, -0.0000015200000000, 0.0083050300000000 ] - [ -0.0049634300000000, 0.0000000000000000, 0.0034426300000000 ] - [ -0.0052295800000000, 0.0001144800000000, 0.0046080200000000 ] - [ -0.0052295800000000, -0.0001144800000000, 0.0046080200000000 ] - [ -0.1451291200000000, 0.0000000000000000, 0.0060391500000000 ] - [ -0.0074603500000000, -0.0003643200000000, 0.0059814000000000 ] - [ -0.0074603500000000, 0.0003643200000000, 0.0059814000000000 ] - [ 0.1863749800000000, 0.0000000000000000, 0.0053810100000000 ] - [ -0.0063971200000000, 0.0022923600000000, 0.0049415600000000 ] - [ -0.0063971200000000, -0.0022923600000000, 0.0049415600000000 ] - [ -0.0083380100000000, 0.0000000000000000, 0.0039832300000000 ] - [ -0.0075918200000000, -0.0000898700000000, 0.0036818400000000 ] - [ -0.0075918200000000, 0.0000898700000000, 0.0036818400000000 ] - [ -0.0057125800000000, 0.0000000000000000, 0.0059607200000000 ] - [ -0.0061752600000000, -0.0000189200000000, 0.0048102100000000 ] - [ -0.0061752600000000, 0.0000189200000000, 0.0048102100000000 ] - [ -0.0088000500000000, 0.0000000000000000, 0.0022822200000000 ] - [ -0.0087486900000000, -0.0000332000000000, 0.0024137800000000 ] - [ -0.0087486900000000, 0.0000332000000000, 0.0024137800000000 ] - [ -0.0085231500000000, 0.0000000000000000, 0.0036850600000000 ] - [ -0.0078101300000000, -0.0003455100000000, 0.0050642900000000 ] - [ -0.0078101300000000, 0.0003455100000000, 0.0050642900000000 ]- atom: 136 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005757200000000, -0.0002742400000000, 0.0002568000000000 ] - [ -0.0004975400000000, -0.0002771100000000, -0.0003857900000000 ] - [ -0.0005354900000000, 0.0005443800000000, -0.0000665800000000 ] - [ -0.0001364300000000, -0.0000889200000000, 0.0000584400000000 ] - [ -0.0001291400000000, -0.0000896400000000, 0.0000607800000000 ] - [ -0.0001329200000000, 0.0001770500000000, 0.0000593600000000 ] - [ -0.0001535000000000, -0.0000888300000000, 0.0003109900000000 ] - [ -0.0001575600000000, -0.0000887900000000, 0.0003117600000000 ] - [ -0.0001552000000000, 0.0001767800000000, 0.0003112100000000 ] - [ 0.0046134600000000, 0.0031898300000000, -0.0058720100000000 ] - [ 0.0043530900000000, 0.0032786200000000, -0.0015733900000000 ] - [ 0.0044862900000000, -0.0073632400000000, -0.0036913300000000 ] - [ 0.0096788000000000, 0.0004264300000000, -0.0035680600000000 ] - [ 0.0095937200000000, 0.0004286400000000, -0.0033249600000000 ] - [ 0.0096364200000000, -0.0009768700000000, -0.0034466000000000 ] - [ 0.0013557800000000, 0.0004357600000000, -0.0073154100000000 ] - [ 0.0014026700000000, 0.0004403800000000, -0.0071161600000000 ] - [ 0.0013792200000000, -0.0008828000000000, -0.0072151100000000 ] - [ -0.0006517000000000, 0.0190689900000000, -0.0009678500000000 ] - [ -0.0007502700000000, -0.0095093800000000, 0.0137896400000000 ] - [ -0.0005453800000000, -0.0094401200000000, -0.0163442200000000 ] - [ 0.0019905600000000, 0.0018317300000000, 0.0002433700000000 ] - [ 0.0011319800000000, -0.0008806900000000, 0.0017101800000000 ] - [ 0.0028128200000000, -0.0008885900000000, -0.0011892900000000 ] - [ -0.0003180700000000, 0.0005918900000000, -0.0019870900000000 ] - [ -0.0003711300000000, -0.0003023900000000, -0.0005111000000000 ] - [ -0.0002670400000000, -0.0003047500000000, -0.0034419600000000 ] - [ 0.0019334000000000, 0.0023727200000000, 0.0000444700000000 ] - [ 0.0029659000000000, -0.0011718100000000, 0.0017721600000000 ] - [ 0.0009293900000000, -0.0011762800000000, -0.0016489800000000 ] - [ -0.0000467200000000, 0.0008140900000000, -0.0013372900000000 ] - [ 0.0003454900000000, -0.0006189800000000, 0.0008659500000000 ] - [ -0.0004455200000000, -0.0006309900000000, -0.0035300000000000 ] - [ 0.0019652300000000, 0.0208570900000000, -0.0000964400000000 ] - [ -0.0106762800000000, -0.0098936000000000, -0.0007759600000000 ] - [ 0.0152109200000000, -0.0098337000000000, 0.0005952900000000 ] - [ 0.0003563200000000, 0.0030442400000000, -0.0012562300000000 ] - [ 0.0000590400000000, -0.0014672000000000, 0.0018040000000000 ] - [ 0.0006308200000000, -0.0014782600000000, -0.0042537700000000 ] - [ -0.0005020200000000, 0.0009804200000000, -0.0019538500000000 ] - [ -0.0003339200000000, -0.0006471300000000, -0.0042035800000000 ] - [ -0.0006764400000000, -0.0006548900000000, 0.0003041600000000 ] - [ 0.0024896500000000, 0.0017234800000000, 0.0005463300000000 ] - [ 0.0015055300000000, -0.0008284500000000, -0.0009010700000000 ] - [ 0.0034556600000000, -0.0008335400000000, 0.0019716800000000 ] - [ -0.0004671900000000, 0.0031257800000000, -0.0011290500000000 ] - [ -0.0008010100000000, -0.0015181200000000, -0.0041772000000000 ] - [ -0.0001531300000000, -0.0015237800000000, 0.0018611800000000 ] - [ 0.0028958000000000, 0.0173165600000000, 0.0004421500000000 ] - [ 0.0142822900000000, -0.0091532500000000, 0.0002054200000000 ] - [ -0.0089795600000000, -0.0090955500000000, 0.0006829000000000 ] - [ 0.0001349600000000, 0.0165111500000000, -0.0018071800000000 ] - [ 0.0002669400000000, -0.0089992000000000, -0.0160374200000000 ] - [ -0.0000039800000000, -0.0089247100000000, 0.0129459400000000 ] - [ 0.0029355700000000, 0.0002641600000000, -0.0003510400000000 ] - [ 0.0028747200000000, -0.0001322700000000, -0.0005443000000000 ] - [ 0.0029972400000000, -0.0001332200000000, -0.0001593300000000 ] - [ -0.0002809100000000, 0.0006112700000000, -0.0014132800000000 ] - [ -0.0003053500000000, -0.0003083900000000, -0.0027309800000000 ] - [ -0.0002574800000000, -0.0003100500000000, -0.0001101400000000 ] - [ 0.0014159500000000, 0.0001589900000000, -0.0001844800000000 ] - [ 0.0013791400000000, -0.0000809800000000, 0.0000573300000000 ] - [ 0.0014543700000000, -0.0000817400000000, -0.0004226700000000 ] - [ 0.0004182800000000, 0.0001519700000000, -0.0004593400000000 ] - [ 0.0004622900000000, -0.0000779600000000, -0.0004372700000000 ] - [ 0.0003750500000000, -0.0000787000000000, -0.0004801200000000 ] - [ 0.0023504000000000, 0.0001849800000000, -0.0001663700000000 ] - [ 0.0023715400000000, -0.0000898300000000, -0.0003504800000000 ] - [ 0.0023260800000000, -0.0000904200000000, 0.0000165500000000 ] - [ -0.0001229400000000, 0.0000812700000000, -0.0020684300000000 ] - [ -0.0001088900000000, -0.0001441100000000, -0.0019764900000000 ] - [ -0.0001412600000000, -0.0001453800000000, -0.0021583700000000 ] - [ 0.0024277100000000, 0.0020428000000000, 0.0001905800000000 ] - [ 0.0033228900000000, -0.0010120800000000, -0.0013349700000000 ] - [ 0.0015435000000000, -0.0010137200000000, 0.0016949700000000 ] - [ 0.0024146100000000, 0.0001789700000000, 0.0002596200000000 ] - [ 0.0024611700000000, -0.0000853400000000, 0.0004980400000000 ] - [ 0.0023641800000000, -0.0000861400000000, 0.0000234000000000 ] - [ 0.0070464600000000, 0.0104320500000000, -0.0043897200000000 ] - [ 0.0037985800000000, 0.0154090400000000, -0.0024053500000000 ] - [ 0.0055215600000000, -0.0306634500000000, -0.0034611800000000 ] - [ 0.0047307400000000, 0.0031772600000000, -0.0017720800000000 ] - [ 0.0045663400000000, 0.0032231200000000, -0.0050253200000000 ] - [ 0.0046497400000000, -0.0070408800000000, -0.0034177600000000 ] - [ 0.0051368800000000, 0.0017018100000000, -0.0042244700000000 ] - [ 0.0047593700000000, 0.0017214800000000, -0.0009259600000000 ] - [ 0.0049469300000000, -0.0034262600000000, -0.0025770400000000 ] - [ 0.0069356400000000, 0.0004350700000000, -0.0005453000000000 ] - [ 0.0069098300000000, 0.0004367500000000, -0.0008009100000000 ] - [ 0.0069228200000000, -0.0010239500000000, -0.0006730500000000 ] - [ 0.0052392700000000, 0.0056313500000000, -0.0045365300000000 ] - [ 0.0042442700000000, 0.0057458600000000, -0.0041221300000000 ] - [ 0.0047248200000000, -0.0125303100000000, -0.0043317200000000 ] - [ 0.0053491800000000, 0.0016642900000000, -0.0025271500000000 ] - [ 0.0050571500000000, 0.0016785700000000, -0.0054804200000000 ] - [ 0.0052024400000000, -0.0033349400000000, -0.0040017800000000 ] - [ 0.0068878100000000, 0.0004012900000000, 0.0044718000000000 ] - [ 0.0068669500000000, 0.0004048300000000, 0.0042596300000000 ] - [ 0.0068773300000000, -0.0008122700000000, 0.0043652400000000 ] - [ 0.0005452900000000, -0.0005906900000000, 0.0007711800000000 ] - [ 0.0003254800000000, -0.0005945200000000, -0.0005517900000000 ] - [ 0.0004327700000000, 0.0011933400000000, 0.0001057300000000 ] - [ -0.0127263800000000, 0.0009412400000000, 0.0130018700000000 ] - [ 0.0122466000000000, 0.0008818100000000, -0.0129498100000000 ] - [ -0.0002976100000000, 0.0061497300000000, 0.0000795100000000 ] - [ -0.0133817300000000, 0.0009580500000000, -0.0133966600000000 ] - [ 0.0127520200000000, 0.0009161600000000, 0.0131759700000000 ] - [ -0.0003903900000000, 0.0058481900000000, -0.0001635400000000 ] - [ 0.0125741900000000, 0.0009280900000000, 0.0139323600000000 ] - [ -0.0127715300000000, 0.0008876900000000, -0.0140022300000000 ] - [ -0.0000408400000000, 0.0056307400000000, 0.0000394700000000 ] - [ 0.0121743800000000, 0.0007125800000000, -0.0133780900000000 ] - [ -0.0134921000000000, 0.0006932700000000, 0.0136062200000000 ] - [ -0.0005868200000000, 0.0052226900000000, 0.0000439600000000 ] - [ 0.0000252500000000, -0.0005655200000000, -0.0006674900000000 ] - [ 0.0001533600000000, -0.0005699500000000, 0.0007277800000000 ] - [ 0.0000908100000000, 0.0011304600000000, 0.0000334300000000 ] - [ -0.0005344700000000, -0.0005570700000000, -0.0008091700000000 ] - [ -0.0006783400000000, -0.0005604000000000, 0.0004878600000000 ] - [ -0.0006073400000000, 0.0011228800000000, -0.0001574900000000 ] - [ -0.0094376300000000, -0.0007589600000000, -0.0033050000000000 ] - [ -0.0094950300000000, 0.0003798300000000, -0.0025172100000000 ] - [ -0.0093794500000000, 0.0003829400000000, -0.0040849500000000 ] - [ -0.0111841300000000, -0.0006842600000000, 0.0051963900000000 ] - [ -0.0111327700000000, 0.0004901100000000, 0.0040193800000000 ] - [ -0.0112319900000000, 0.0004926100000000, 0.0063681800000000 ] - [ -0.0034622700000000, -0.0008009000000000, 0.0085022200000000 ] - [ -0.0035514100000000, 0.0004008300000000, 0.0075909900000000 ] - [ -0.0033734400000000, 0.0004048500000000, 0.0093995400000000 ] - [ -0.0059777700000000, -0.0064870600000000, 0.0050416700000000 ] - [ -0.0065577300000000, 0.0034082900000000, -0.0055551200000000 ] - [ -0.0053822000000000, 0.0034755100000000, 0.0153498000000000 ] - [ -0.0064975500000000, -0.0116118700000000, 0.0057625100000000 ] - [ -0.0063569600000000, 0.0059189100000000, 0.0055350000000000 ] - [ -0.0064733600000000, 0.0060118900000000, 0.0059783400000000 ] - [ -0.0072711500000000, -0.1806624200000000, 0.0046042500000000 ] - [ -0.0051528800000000, 0.0795882100000000, 0.0036031700000000 ] - [ -0.0098980300000000, 0.0790178600000000, 0.0059341100000000 ] - [ -0.0067628700000000, -0.0044438600000000, 0.0036566900000000 ] - [ -0.0067572400000000, 0.0022417400000000, 0.0004597900000000 ] - [ -0.0067629100000000, 0.0022503300000000, 0.0068037500000000 ] - [ -0.0069608000000000, -0.0062928100000000, 0.0044151600000000 ] - [ -0.0069026400000000, 0.0033187700000000, 0.0155597300000000 ] - [ -0.0070059700000000, 0.0033568500000000, -0.0065321700000000 ] - [ -0.0087640300000000, -0.0006275000000000, 0.0025101000000000 ] - [ -0.0086947000000000, 0.0004695600000000, 0.0035110000000000 ] - [ -0.0088280600000000, 0.0004709200000000, 0.0015068500000000 ] - [ -0.0070047800000000, -0.0042436800000000, 0.0051376500000000 ] - [ -0.0070593300000000, 0.0021423200000000, 0.0084267600000000 ] - [ -0.0069447500000000, 0.0021472200000000, 0.0018918100000000 ]- atom: 136 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0011541000000000, 0.0011111900000000, 0.0016851600000000 ] - [ -0.0011541000000000, -0.0011111900000000, 0.0016851600000000 ] - [ -0.0007249300000000, 0.0000000000000000, 0.0007089100000000 ] - [ -0.0001660500000000, -0.0000045900000000, 0.0015513500000000 ] - [ -0.0001660500000000, 0.0000045900000000, 0.0015513500000000 ] - [ -0.0001587400000000, 0.0000000000000000, 0.0012688500000000 ] - [ -0.0001232200000000, 0.0000103800000000, 0.0019481400000000 ] - [ -0.0001232200000000, -0.0000103800000000, 0.0019481400000000 ] - [ -0.0001308500000000, 0.0000000000000000, 0.0016524800000000 ] - [ 0.0034575700000000, -0.0168960400000000, -0.0113992500000000 ] - [ 0.0034575700000000, 0.0168960400000000, -0.0113992500000000 ] - [ 0.0039755600000000, 0.0000000000000000, -0.0029492000000000 ] - [ 0.0099537100000000, -0.0014278500000000, -0.0059621700000000 ] - [ 0.0099537100000000, 0.0014278500000000, -0.0059621700000000 ] - [ 0.0098194800000000, 0.0000000000000000, -0.0053577900000000 ] - [ 0.0010916200000000, -0.0010774800000000, -0.0090736200000000 ] - [ 0.0010916200000000, 0.0010774800000000, -0.0090736200000000 ] - [ 0.0011794100000000, 0.0000000000000000, -0.0086270600000000 ] - [ 0.0003307200000000, 0.0000000000000000, 0.0528875900000000 ] - [ -0.0006399900000000, 0.0014952400000000, 0.0072231100000000 ] - [ -0.0006399900000000, -0.0014952400000000, 0.0072231100000000 ] - [ 0.0154923400000000, 0.0000000000000000, -0.0071101500000000 ] - [ 0.0034441100000000, 0.0017015300000000, 0.0006545700000000 ] - [ 0.0034441100000000, -0.0017015300000000, 0.0006545700000000 ] - [ -0.0004962000000000, 0.0000000000000000, -0.0101142800000000 ] - [ -0.0006360600000000, 0.0005958800000000, -0.0054055200000000 ] - [ -0.0006360600000000, -0.0005958800000000, -0.0054055200000000 ] - [ -0.0111971500000000, 0.0000000000000000, -0.0072009200000000 ] - [ 0.0007326300000000, 0.0018950500000000, 0.0002577700000000 ] - [ 0.0007326300000000, -0.0018950500000000, 0.0002577700000000 ] - [ -0.0025944300000000, 0.0000000000000000, -0.0185793700000000 ] - [ -0.0000389900000000, 0.0017385900000000, -0.0067843900000000 ] - [ -0.0000389900000000, -0.0017385900000000, -0.0067843900000000 ] - [ 0.0058512400000000, 0.0000000000000000, 0.0229268300000000 ] - [ 0.0023168500000000, -0.0002889600000000, 0.0034899400000000 ] - [ 0.0023168500000000, 0.0002889600000000, 0.0034899400000000 ] - [ 0.0013275700000000, 0.0000000000000000, 0.0111600100000000 ] - [ 0.0009825500000000, 0.0016548400000000, 0.0050779000000000 ] - [ 0.0009825500000000, -0.0016548400000000, 0.0050779000000000 ] - [ 0.0006525700000000, 0.0000000000000000, -0.0185884800000000 ] - [ -0.0005519400000000, -0.0018204500000000, -0.0064044800000000 ] - [ -0.0005519400000000, 0.0018204500000000, -0.0064044800000000 ] - [ -0.0108065700000000, 0.0000000000000000, -0.0067996100000000 ] - [ 0.0012596000000000, -0.0016553000000000, 0.0006395800000000 ] - [ 0.0012596000000000, 0.0016553000000000, 0.0006395800000000 ] - [ -0.0016113800000000, 0.0000000000000000, 0.0095004700000000 ] - [ -0.0007116100000000, -0.0014405000000000, 0.0044309600000000 ] - [ -0.0007116100000000, 0.0014405000000000, 0.0044309600000000 ] - [ -0.0008741800000000, 0.0000000000000000, 0.0204905100000000 ] - [ 0.0028060300000000, -0.0001635500000000, 0.0040082100000000 ] - [ 0.0028060300000000, 0.0001635500000000, 0.0040082100000000 ] - [ -0.0015591500000000, 0.0000000000000000, 0.0020186400000000 ] - [ 0.0001314000000000, -0.0019911000000000, 0.0061938600000000 ] - [ 0.0001314000000000, 0.0019911000000000, 0.0061938600000000 ] - [ 0.0020907700000000, 0.0000000000000000, -0.0034016100000000 ] - [ 0.0025580200000000, -0.0004256500000000, -0.0021124100000000 ] - [ 0.0025580200000000, 0.0004256500000000, -0.0021124100000000 ] - [ -0.0004524900000000, 0.0000000000000000, -0.0085411600000000 ] - [ -0.0002326400000000, -0.0006123300000000, -0.0041859800000000 ] - [ -0.0002326400000000, 0.0006123300000000, -0.0041859800000000 ] - [ 0.0018377500000000, 0.0000000000000000, -0.0030315100000000 ] - [ 0.0015346700000000, 0.0002319800000000, -0.0016623100000000 ] - [ 0.0015346700000000, -0.0002319800000000, -0.0016623100000000 ] - [ 0.0004111600000000, 0.0000000000000000, -0.0095227700000000 ] - [ 0.0004326500000000, 0.0000027700000000, -0.0068563900000000 ] - [ 0.0004326500000000, -0.0000027700000000, -0.0068563900000000 ] - [ 0.0028270100000000, 0.0000000000000000, -0.0029206900000000 ] - [ 0.0026410400000000, -0.0002588100000000, -0.0016970800000000 ] - [ 0.0026410400000000, 0.0002588100000000, -0.0016970800000000 ] - [ -0.0001032700000000, 0.0000000000000000, -0.0132137100000000 ] - [ -0.0000314900000000, 0.0000047900000000, -0.0092681500000000 ] - [ -0.0000314900000000, -0.0000047900000000, -0.0092681500000000 ] - [ 0.0155679800000000, 0.0000000000000000, -0.0062325700000000 ] - [ 0.0036786300000000, -0.0016451500000000, 0.0003858700000000 ] - [ 0.0036786300000000, 0.0016451500000000, 0.0003858700000000 ] - [ 0.0018694400000000, 0.0000000000000000, -0.0027359400000000 ] - [ 0.0022321000000000, 0.0002478800000000, -0.0013363500000000 ] - [ 0.0022321000000000, -0.0002478800000000, -0.0013363500000000 ] - [ 0.0054611300000000, -0.0024842900000000, 0.0177308900000000 ] - [ 0.0054611300000000, 0.0024842900000000, 0.0177308900000000 ] - [ 0.0054974900000000, 0.0000000000000000, 0.0001862000000000 ] - [ 0.0050868800000000, 0.0161782400000000, -0.0101968000000000 ] - [ 0.0050868800000000, -0.0161782400000000, -0.0101968000000000 ] - [ 0.0048650600000000, 0.0000000000000000, -0.0032702300000000 ] - [ 0.0054069800000000, -0.0040518700000000, -0.0025518300000000 ] - [ 0.0054069800000000, 0.0040518700000000, -0.0025518300000000 ] - [ 0.0049791600000000, 0.0000000000000000, -0.0020199400000000 ] - [ 0.0068056900000000, 0.0015596700000000, -0.0033698200000000 ] - [ 0.0068056900000000, -0.0015596700000000, -0.0033698200000000 ] - [ 0.0068607100000000, 0.0000000000000000, -0.0027146000000000 ] - [ 0.0043513100000000, 0.0003254300000000, 0.0005793800000000 ] - [ 0.0043513100000000, -0.0003254300000000, 0.0005793800000000 ] - [ 0.0046682000000000, 0.0000000000000000, -0.0016188400000000 ] - [ 0.0048571100000000, 0.0039096100000000, -0.0040768000000000 ] - [ 0.0048571100000000, -0.0039096100000000, -0.0040768000000000 ] - [ 0.0051866100000000, 0.0000000000000000, -0.0037143800000000 ] - [ 0.0068782900000000, 0.0009621300000000, 0.0024770300000000 ] - [ 0.0068782900000000, -0.0009621300000000, 0.0024770300000000 ] - [ 0.0069137400000000, 0.0000000000000000, 0.0029819600000000 ] - [ 0.0020599100000000, 0.0020686300000000, 0.0032830700000000 ] - [ 0.0020599100000000, -0.0020686300000000, 0.0032830700000000 ] - [ 0.0009538600000000, 0.0000000000000000, 0.0014964700000000 ] - [ -0.0141607200000000, 0.0144401900000000, -0.0015826800000000 ] - [ -0.0141607200000000, -0.0144401900000000, -0.0015826800000000 ] - [ -0.0004694700000000, 0.0000000000000000, -0.0028564300000000 ] - [ 0.0119047700000000, -0.0132882700000000, -0.0013455900000000 ] - [ 0.0119047700000000, 0.0132882700000000, -0.0013455900000000 ] - [ -0.0001419300000000, 0.0000000000000000, -0.0031075400000000 ] - [ 0.0134898000000000, 0.0146669000000000, -0.0012795100000000 ] - [ 0.0134898000000000, -0.0146669000000000, -0.0012795100000000 ] - [ 0.0000812600000000, 0.0000000000000000, -0.0029272500000000 ] - [ -0.0124559600000000, -0.0126821500000000, -0.0018253700000000 ] - [ -0.0124559600000000, 0.0126821500000000, -0.0018253700000000 ] - [ -0.0008518200000000, 0.0000000000000000, -0.0029380100000000 ] - [ 0.0013394500000000, -0.0022985200000000, 0.0036024900000000 ] - [ 0.0013394500000000, 0.0022985200000000, 0.0036024900000000 ] - [ 0.0004764500000000, 0.0000000000000000, 0.0014070900000000 ] - [ -0.0020043700000000, -0.0019795500000000, 0.0028420900000000 ] - [ -0.0020043700000000, 0.0019795500000000, 0.0028420900000000 ] - [ -0.0010574800000000, 0.0000000000000000, 0.0010313000000000 ] - [ -0.0100876100000000, 0.0000000000000000, 0.0081776200000000 ] - [ -0.0098730400000000, 0.0009636700000000, 0.0036038800000000 ] - [ -0.0098730400000000, -0.0009636700000000, 0.0036038800000000 ] - [ -0.0125449000000000, 0.0000000000000000, 0.0217781500000000 ] - [ -0.0121289300000000, -0.0012542100000000, 0.0143965800000000 ] - [ -0.0121289300000000, 0.0012542100000000, 0.0143965800000000 ] - [ -0.0020761200000000, 0.0000000000000000, 0.0206854600000000 ] - [ -0.0025769100000000, -0.0010197200000000, 0.0158533300000000 ] - [ -0.0025769100000000, 0.0010197200000000, 0.0158533300000000 ] - [ -0.0034419100000000, 0.0000000000000000, 0.0731148500000000 ] - [ -0.0061976300000000, -0.0114699700000000, 0.0036678600000000 ] - [ -0.0061976300000000, 0.0114699700000000, 0.0036678600000000 ] - [ -0.0041000600000000, 0.0000000000000000, -0.0124685500000000 ] - [ -0.0065880000000000, 0.0002612400000000, -0.0041788600000000 ] - [ -0.0065880000000000, -0.0002612400000000, -0.0041788600000000 ] - [ -0.0080622100000000, 0.0000000000000000, -0.2083398100000000 ] - [ -0.0076981400000000, 0.0010822700000000, -0.0075716100000000 ] - [ -0.0076981400000000, -0.0010822700000000, -0.0075716100000000 ] - [ -0.0073012800000000, 0.0000000000000000, 0.0023818800000000 ] - [ -0.0068028500000000, -0.0035602100000000, 0.0026151400000000 ] - [ -0.0068028500000000, 0.0035602100000000, 0.0026151400000000 ] - [ -0.0072711500000000, 0.0000000000000000, 0.0755861800000000 ] - [ -0.0069523400000000, 0.0109241800000000, 0.0026136700000000 ] - [ -0.0069523400000000, -0.0109241800000000, 0.0026136700000000 ] - [ -0.0077405900000000, 0.0000000000000000, 0.0168843400000000 ] - [ -0.0082747800000000, 0.0012133500000000, 0.0102032700000000 ] - [ -0.0082747800000000, -0.0012133500000000, 0.0102032700000000 ] - [ -0.0074474800000000, 0.0000000000000000, 0.0035215500000000 ] - [ -0.0071008400000000, 0.0032521600000000, 0.0036394100000000 ] - [ -0.0071008400000000, -0.0032521600000000, 0.0036394100000000 ]- atom: 136 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ 0.0000835100000000, -0.0011109900000000, -0.0018152900000000 ] - [ 0.0000835100000000, 0.0011109900000000, -0.0018152900000000 ] - [ -0.0003473200000000, 0.0000000000000000, -0.0008353900000000 ] - [ -0.0000995600000000, 0.0000040000000000, -0.0014268100000000 ] - [ -0.0000995600000000, -0.0000040000000000, -0.0014268100000000 ] - [ -0.0001067100000000, 0.0000000000000000, -0.0011458200000000 ] - [ -0.0001884200000000, -0.0000108000000000, -0.0013199200000000 ] - [ -0.0001884200000000, 0.0000108000000000, -0.0013199200000000 ] - [ -0.0001805400000000, 0.0000000000000000, -0.0010260700000000 ] - [ 0.0055156800000000, 0.0168917700000000, 0.0040368900000000 ] - [ 0.0055156800000000, -0.0168917700000000, 0.0040368900000000 ] - [ 0.0049948100000000, 0.0000000000000000, -0.0044711300000000 ] - [ 0.0093200500000000, 0.0014244700000000, -0.0009374200000000 ] - [ 0.0093200500000000, -0.0014244700000000, -0.0009374200000000 ] - [ 0.0094544500000000, 0.0000000000000000, -0.0015415400000000 ] - [ 0.0016658000000000, 0.0010746700000000, -0.0053632200000000 ] - [ 0.0016658000000000, -0.0010746700000000, -0.0053632200000000 ] - [ 0.0015776000000000, 0.0000000000000000, -0.0058095900000000 ] - [ -0.0016561900000000, 0.0000000000000000, -0.0630172700000000 ] - [ -0.0006523000000000, -0.0014562400000000, -0.0098684300000000 ] - [ -0.0006523000000000, 0.0014562400000000, -0.0098684300000000 ] - [ -0.0115146500000000, 0.0000000000000000, 0.0076493200000000 ] - [ 0.0005045600000000, -0.0017033700000000, -0.0001457600000000 ] - [ 0.0005045600000000, 0.0017033700000000, -0.0001457600000000 ] - [ -0.0001334200000000, 0.0000000000000000, 0.0061231600000000 ] - [ -0.0000019500000000, -0.0005953500000000, 0.0014297300000000 ] - [ -0.0000019500000000, 0.0005953500000000, 0.0014297300000000 ] - [ 0.0151605700000000, 0.0000000000000000, 0.0073376100000000 ] - [ 0.0031586200000000, -0.0018991300000000, -0.0001490800000000 ] - [ 0.0031586200000000, 0.0018991300000000, -0.0001490800000000 ] - [ 0.0024814200000000, 0.0000000000000000, 0.0158348300000000 ] - [ -0.0000622600000000, -0.0017399900000000, 0.0040961500000000 ] - [ -0.0000622600000000, 0.0017399900000000, 0.0040961500000000 ] - [ -0.0019398800000000, 0.0000000000000000, -0.0232952300000000 ] - [ 0.0022715100000000, 0.0003064200000000, -0.0036564400000000 ] - [ 0.0022715100000000, -0.0003064200000000, -0.0036564400000000 ] - [ -0.0005898500000000, 0.0000000000000000, -0.0137238400000000 ] - [ -0.0002945800000000, -0.0016590400000000, -0.0075418000000000 ] - [ -0.0002945800000000, 0.0016590400000000, -0.0075418000000000 ] - [ -0.0016702200000000, 0.0000000000000000, 0.0146580500000000 ] - [ -0.0004593700000000, 0.0018016300000000, 0.0024947700000000 ] - [ -0.0004593700000000, -0.0018016300000000, 0.0024947700000000 ] - [ 0.0156689300000000, 0.0000000000000000, 0.0077834100000000 ] - [ 0.0036983000000000, 0.0016419100000000, 0.0004473900000000 ] - [ 0.0036983000000000, -0.0016419100000000, 0.0004473900000000 ] - [ 0.0006749600000000, 0.0000000000000000, -0.0116800400000000 ] - [ -0.0002430900000000, 0.0014299100000000, -0.0067019000000000 ] - [ -0.0002430900000000, -0.0014299100000000, -0.0067019000000000 ] - [ 0.0066180100000000, 0.0000000000000000, -0.0197349200000000 ] - [ 0.0023923800000000, 0.0001760800000000, -0.0031070700000000 ] - [ 0.0023923800000000, -0.0001760800000000, -0.0031070700000000 ] - [ 0.0016704500000000, 0.0000000000000000, -0.0013754600000000 ] - [ 0.0001295400000000, 0.0019957100000000, -0.0091301300000000 ] - [ 0.0001295400000000, -0.0019957100000000, -0.0091301300000000 ] - [ 0.0037837100000000, 0.0000000000000000, 0.0026831200000000 ] - [ 0.0033125800000000, 0.0004220800000000, 0.0014028900000000 ] - [ 0.0033125800000000, -0.0004220800000000, 0.0014028900000000 ] - [ -0.0001075300000000, 0.0000000000000000, 0.0056700900000000 ] - [ -0.0003301500000000, 0.0006077700000000, 0.0013498400000000 ] - [ -0.0003301500000000, -0.0006077700000000, 0.0013498400000000 ] - [ 0.0009972300000000, 0.0000000000000000, 0.0026567300000000 ] - [ 0.0012970900000000, -0.0002318300000000, 0.0012909900000000 ] - [ 0.0012970900000000, 0.0002318300000000, 0.0012909900000000 ] - [ 0.0004271300000000, 0.0000000000000000, 0.0085728400000000 ] - [ 0.0004046000000000, -0.0000032900000000, 0.0059191900000000 ] - [ 0.0004046000000000, 0.0000032900000000, 0.0059191900000000 ] - [ 0.0018695900000000, 0.0000000000000000, 0.0025756000000000 ] - [ 0.0020573300000000, 0.0002567900000000, 0.0013591400000000 ] - [ 0.0020573300000000, -0.0002567900000000, 0.0013591400000000 ] - [ -0.0001476900000000, 0.0000000000000000, 0.0090403700000000 ] - [ -0.0002188500000000, -0.0000050200000000, 0.0051096800000000 ] - [ -0.0002188500000000, 0.0000050200000000, 0.0051096800000000 ] - [ -0.0105471600000000, 0.0000000000000000, 0.0065104200000000 ] - [ 0.0011907200000000, 0.0016306700000000, -0.0000074800000000 ] - [ 0.0011907200000000, -0.0016306700000000, -0.0000074800000000 ] - [ 0.0029555600000000, 0.0000000000000000, 0.0032457700000000 ] - [ 0.0025937300000000, -0.0002476900000000, 0.0018520500000000 ] - [ 0.0025937300000000, 0.0002476900000000, 0.0018520500000000 ] - [ 0.0056168600000000, 0.0030104400000000, -0.0248035000000000 ] - [ 0.0056168600000000, -0.0030104400000000, -0.0248035000000000 ] - [ 0.0055599700000000, 0.0000000000000000, -0.0071162700000000 ] - [ 0.0042172200000000, -0.0160373200000000, 0.0032825500000000 ] - [ 0.0042172200000000, 0.0160373200000000, 0.0032825500000000 ] - [ 0.0044357700000000, 0.0000000000000000, -0.0035309300000000 ] - [ 0.0044904800000000, 0.0040422700000000, -0.0026128700000000 ] - [ 0.0044904800000000, -0.0040422700000000, -0.0026128700000000 ] - [ 0.0049163600000000, 0.0000000000000000, -0.0031417100000000 ] - [ 0.0070388700000000, -0.0015531000000000, 0.0020108600000000 ] - [ 0.0070388700000000, 0.0015531000000000, 0.0020108600000000 ] - [ 0.0069840200000000, 0.0000000000000000, 0.0013602100000000 ] - [ 0.0051059200000000, -0.0003765500000000, -0.0092225400000000 ] - [ 0.0051059200000000, 0.0003765500000000, -0.0092225400000000 ] - [ 0.0047742100000000, 0.0000000000000000, -0.0070381500000000 ] - [ 0.0055472500000000, -0.0038843200000000, -0.0039129900000000 ] - [ 0.0055472500000000, 0.0038843200000000, -0.0039129900000000 ] - [ 0.0052183200000000, 0.0000000000000000, -0.0042782500000000 ] - [ 0.0068760500000000, -0.0009558800000000, 0.0062472400000000 ] - [ 0.0068760500000000, 0.0009558800000000, 0.0062472400000000 ] - [ 0.0068409200000000, 0.0000000000000000, 0.0057467500000000 ] - [ -0.0011962000000000, -0.0020674900000000, -0.0030653000000000 ] - [ -0.0011962000000000, 0.0020674900000000, -0.0030653000000000 ] - [ -0.0000866700000000, 0.0000000000000000, -0.0012725400000000 ] - [ 0.0136790200000000, -0.0145439700000000, 0.0017809200000000 ] - [ 0.0136790200000000, 0.0145439700000000, 0.0017809200000000 ] - [ -0.0001463400000000, 0.0000000000000000, 0.0030342900000000 ] - [ -0.0125509400000000, 0.0131555600000000, 0.0009286500000000 ] - [ -0.0125509400000000, -0.0131555600000000, 0.0009286500000000 ] - [ -0.0006528700000000, 0.0000000000000000, 0.0027443400000000 ] - [ -0.0136814600000000, -0.0147951000000000, 0.0013828200000000 ] - [ -0.0136814600000000, 0.0147951000000000, 0.0013828200000000 ] - [ -0.0001429500000000, 0.0000000000000000, 0.0030228000000000 ] - [ 0.0111532500000000, 0.0125279000000000, 0.0018432100000000 ] - [ 0.0111532500000000, -0.0125279000000000, 0.0018432100000000 ] - [ -0.0003082700000000, 0.0000000000000000, 0.0029929900000000 ] - [ -0.0011480400000000, 0.0022804000000000, -0.0035209000000000 ] - [ -0.0011480400000000, -0.0022804000000000, -0.0035209000000000 ] - [ -0.0002940600000000, 0.0000000000000000, -0.0013474500000000 ] - [ 0.0007770600000000, 0.0019649000000000, -0.0031437900000000 ] - [ 0.0007770600000000, -0.0019649000000000, -0.0031437900000000 ] - [ -0.0001596300000000, 0.0000000000000000, -0.0013523800000000 ] - [ -0.0087893100000000, 0.0000000000000000, -0.0147329300000000 ] - [ -0.0090017700000000, -0.0009561500000000, -0.0101933600000000 ] - [ -0.0090017700000000, 0.0009561500000000, -0.0101933600000000 ] - [ -0.0098266400000000, 0.0000000000000000, -0.0113304100000000 ] - [ -0.0102387600000000, 0.0012521900000000, -0.0039772100000000 ] - [ -0.0102387600000000, -0.0012521900000000, -0.0039772100000000 ] - [ -0.0048443600000000, 0.0000000000000000, -0.0036511600000000 ] - [ -0.0043451000000000, 0.0010184100000000, 0.0011665100000000 ] - [ -0.0043451000000000, -0.0010184100000000, 0.0011665100000000 ] - [ -0.0085178900000000, 0.0000000000000000, -0.0635065900000000 ] - [ -0.0057355600000000, 0.0114753500000000, 0.0062202500000000 ] - [ -0.0057355600000000, -0.0114753500000000, 0.0062202500000000 ] - [ -0.0088448600000000, 0.0000000000000000, 0.0239106500000000 ] - [ -0.0062123600000000, -0.0002872800000000, 0.0156748700000000 ] - [ -0.0062123600000000, 0.0002872800000000, 0.0156748700000000 ] - [ -0.0067534400000000, 0.0000000000000000, 0.2221410900000000 ] - [ -0.0073583400000000, -0.0012539400000000, 0.0170621700000000 ] - [ -0.0073583400000000, 0.0012539400000000, 0.0170621700000000 ] - [ -0.0062664400000000, 0.0000000000000000, 0.0049961900000000 ] - [ -0.0067166500000000, 0.0035561200000000, 0.0046697200000000 ] - [ -0.0067166500000000, -0.0035561200000000, 0.0046697200000000 ] - [ -0.0066344600000000, 0.0000000000000000, -0.0656721600000000 ] - [ -0.0069564300000000, -0.0108228400000000, 0.0062984700000000 ] - [ -0.0069564300000000, 0.0108228400000000, 0.0062984700000000 ] - [ -0.0097834900000000, 0.0000000000000000, -0.0118104100000000 ] - [ -0.0092469500000000, -0.0012068900000000, -0.0051583600000000 ] - [ -0.0092469500000000, 0.0012068900000000, -0.0051583600000000 ] - [ -0.0065852200000000, 0.0000000000000000, 0.0067120900000000 ] - [ -0.0069018500000000, -0.0032311700000000, 0.0066421000000000 ] - [ -0.0069018500000000, 0.0032311700000000, 0.0066421000000000 ]- atom: 139 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ 0.0008633000000000, 0.0058099800000000, 0.0054396800000000 ] - [ 0.0008633000000000, -0.0058099800000000, 0.0054396800000000 ] - [ -0.0005726100000000, 0.0000000000000000, 0.0001020000000000 ] - [ -0.0002024000000000, -0.0000154300000000, 0.0000085600000000 ] - [ -0.0002024000000000, 0.0000154300000000, 0.0000085600000000 ] - [ -0.0001596600000000, 0.0000000000000000, 0.0000267500000000 ] - [ -0.0000897400000000, -0.0000371000000000, 0.0001729700000000 ] - [ -0.0000897400000000, 0.0000371000000000, 0.0001729700000000 ] - [ -0.0001248600000000, 0.0000000000000000, 0.0002284300000000 ] - [ -0.0106666500000000, -0.0027268900000000, -0.0030171200000000 ] - [ -0.0106666500000000, 0.0027268900000000, -0.0030171200000000 ] - [ 0.0041743500000000, 0.0000000000000000, -0.0038764000000000 ] - [ 0.0090800600000000, 0.0000013700000000, -0.0033549200000000 ] - [ 0.0090800600000000, -0.0000013700000000, -0.0033549200000000 ] - [ 0.0095593800000000, 0.0000000000000000, -0.0035036500000000 ] - [ 0.0019146700000000, 0.0015298400000000, -0.0064815600000000 ] - [ 0.0019146700000000, -0.0015298400000000, -0.0064815600000000 ] - [ 0.0014523600000000, 0.0000000000000000, -0.0072820600000000 ] - [ -0.0152389700000000, 0.0000000000000000, 0.0007976400000000 ] - [ -0.0014731400000000, 0.0000116300000000, -0.0012271700000000 ] - [ -0.0014731400000000, -0.0000116300000000, -0.0012271700000000 ] - [ -0.0347537800000000, 0.0000000000000000, 0.0022730700000000 ] - [ 0.0017494700000000, 0.0004904100000000, 0.0000784200000000 ] - [ 0.0017494700000000, -0.0004904100000000, 0.0000784200000000 ] - [ 0.0161990400000000, 0.0000000000000000, -0.0025288400000000 ] - [ 0.0003413900000000, -0.0002402400000000, -0.0029368100000000 ] - [ 0.0003413900000000, 0.0002402400000000, -0.0029368100000000 ] - [ 0.0627310500000000, 0.0000000000000000, 0.0054691200000000 ] - [ 0.0021598600000000, 0.0001713600000000, 0.0001806000000000 ] - [ 0.0021598600000000, -0.0001713600000000, 0.0001806000000000 ] - [ -0.0143517900000000, 0.0000000000000000, -0.0025828000000000 ] - [ -0.0008672800000000, -0.0004311600000000, -0.0020853400000000 ] - [ -0.0008672800000000, 0.0004311600000000, -0.0020853400000000 ] - [ 0.0012152900000000, 0.0000000000000000, 0.0003903200000000 ] - [ 0.0020545200000000, 0.0004412100000000, 0.0002907600000000 ] - [ 0.0020545200000000, -0.0004412100000000, 0.0002907600000000 ] - [ 0.0164746900000000, 0.0000000000000000, -0.0011076000000000 ] - [ 0.0010975700000000, 0.0004365500000000, -0.0012271100000000 ] - [ 0.0010975700000000, -0.0004365500000000, -0.0012271100000000 ] - [ -0.0004592500000000, 0.0000000000000000, -0.0015637600000000 ] - [ -0.0005054600000000, 0.0000016700000000, -0.0016568600000000 ] - [ -0.0005054600000000, -0.0000016700000000, -0.0016568600000000 ] - [ 0.0024694500000000, 0.0000000000000000, 0.0007055100000000 ] - [ 0.0024647800000000, 0.0000097100000000, 0.0006488700000000 ] - [ 0.0024647800000000, -0.0000097100000000, 0.0006488700000000 ] - [ -0.0003519000000000, 0.0000000000000000, 0.0002156100000000 ] - [ -0.0003923800000000, 0.0001371400000000, -0.0008158100000000 ] - [ -0.0003923800000000, -0.0001371400000000, -0.0008158100000000 ] - [ 0.0036301800000000, 0.0000000000000000, 0.0005443500000000 ] - [ 0.0029801000000000, -0.0006652500000000, -0.0003043200000000 ] - [ 0.0029801000000000, 0.0006652500000000, -0.0003043200000000 ] - [ -0.0000691300000000, 0.0000000000000000, -0.0011167900000000 ] - [ 0.0000546400000000, 0.0000224600000000, -0.0013159400000000 ] - [ 0.0000546400000000, -0.0000224600000000, -0.0013159400000000 ] - [ 0.0030732900000000, 0.0000000000000000, -0.0001716800000000 ] - [ 0.0029790600000000, -0.0000075700000000, -0.0002439300000000 ] - [ 0.0029790600000000, 0.0000075700000000, -0.0002439300000000 ] - [ -0.0002967500000000, 0.0000000000000000, -0.0008260500000000 ] - [ -0.0002805400000000, -0.0000027000000000, -0.0010346200000000 ] - [ -0.0002805400000000, 0.0000027000000000, -0.0010346200000000 ] - [ 0.0022345900000000, 0.0000000000000000, -0.0010583200000000 ] - [ 0.0015386100000000, 0.0000823600000000, -0.0004109400000000 ] - [ 0.0015386100000000, -0.0000823600000000, -0.0004109400000000 ] - [ 0.0010244500000000, 0.0000000000000000, 0.0011420900000000 ] - [ 0.0004521100000000, -0.0001279600000000, -0.0000106500000000 ] - [ 0.0004521100000000, 0.0001279600000000, -0.0000106500000000 ] - [ 0.0022086700000000, 0.0000000000000000, -0.0000190000000000 ] - [ 0.0023119000000000, -0.0000096300000000, -0.0000667300000000 ] - [ 0.0023119000000000, 0.0000096300000000, -0.0000667300000000 ] - [ -0.0003216200000000, 0.0000000000000000, -0.0018444700000000 ] - [ -0.0001604500000000, -0.0000153300000000, -0.0018891600000000 ] - [ -0.0001604500000000, 0.0000153300000000, -0.0018891600000000 ] - [ 0.0024667500000000, 0.0000000000000000, 0.0003535100000000 ] - [ 0.0024601200000000, 0.0000249300000000, 0.0002816400000000 ] - [ 0.0024601200000000, -0.0000249300000000, 0.0002816400000000 ] - [ 0.0012925300000000, 0.0000000000000000, 0.0002664100000000 ] - [ 0.0023231900000000, -0.0003565300000000, 0.0004770000000000 ] - [ 0.0023231900000000, 0.0003565300000000, 0.0004770000000000 ] - [ 0.0047296900000000, -0.0002558600000000, -0.0036123900000000 ] - [ 0.0047296900000000, 0.0002558600000000, -0.0036123900000000 ] - [ 0.0053839600000000, 0.0000000000000000, -0.0034250100000000 ] - [ 0.0046481900000000, -0.0000412400000000, -0.0032830000000000 ] - [ 0.0046481900000000, 0.0000412400000000, -0.0032830000000000 ] - [ 0.0046369200000000, 0.0000000000000000, -0.0033125200000000 ] - [ 0.0235050400000000, 0.0027228600000000, -0.0028376500000000 ] - [ 0.0235050400000000, -0.0027228600000000, -0.0028376500000000 ] - [ 0.0055276500000000, 0.0000000000000000, -0.0028526800000000 ] - [ 0.0069211200000000, 0.0000323100000000, -0.0005742200000000 ] - [ 0.0069211200000000, -0.0000323100000000, -0.0005742200000000 ] - [ 0.0069210900000000, 0.0000000000000000, -0.0005837000000000 ] - [ 0.0054540300000000, -0.0012816800000000, -0.0036898200000000 ] - [ 0.0054540300000000, 0.0012816800000000, -0.0036898200000000 ] - [ 0.0048714600000000, 0.0000000000000000, -0.0042080900000000 ] - [ 0.0052060700000000, -0.0000790100000000, -0.0038341700000000 ] - [ 0.0052060700000000, 0.0000790100000000, -0.0038341700000000 ] - [ 0.0052132600000000, 0.0000000000000000, -0.0038604300000000 ] - [ 0.0068718600000000, 0.0000933900000000, 0.0045318900000000 ] - [ 0.0068718600000000, -0.0000933900000000, 0.0045318900000000 ] - [ 0.0068742300000000, 0.0000000000000000, 0.0045062100000000 ] - [ 0.0064165800000000, -0.0152428300000000, -0.0128966000000000 ] - [ 0.0064165800000000, 0.0152428300000000, -0.0128966000000000 ] - [ 0.0005021000000000, 0.0000000000000000, 0.0004075600000000 ] - [ 0.0042182700000000, 0.0117564100000000, -0.0108435400000000 ] - [ 0.0042182700000000, -0.0117564100000000, -0.0108435400000000 ] - [ -0.0002977000000000, 0.0000000000000000, 0.0001227100000000 ] - [ -0.0002899000000000, 0.0000881300000000, -0.0004453400000000 ] - [ -0.0002899000000000, -0.0000881300000000, -0.0004453400000000 ] - [ -0.0003712000000000, 0.0000000000000000, -0.0003269400000000 ] - [ 0.0038885600000000, -0.0144979800000000, 0.0136313800000000 ] - [ 0.0038885600000000, 0.0144979800000000, 0.0136313800000000 ] - [ -0.0000336000000000, 0.0000000000000000, 0.0000373300000000 ] - [ -0.0006800300000000, 0.0001258700000000, 0.0000124200000000 ] - [ -0.0006800300000000, -0.0001258700000000, 0.0000124200000000 ] - [ -0.0005961800000000, 0.0000000000000000, 0.0000613500000000 ] - [ 0.0000828100000000, -0.0000023100000000, -0.0001571200000000 ] - [ 0.0000828100000000, 0.0000023100000000, -0.0001571200000000 ] - [ 0.0000864700000000, 0.0000000000000000, -0.0001257000000000 ] - [ -0.0005997600000000, -0.0000068100000000, -0.0003345300000000 ] - [ -0.0005997600000000, 0.0000068100000000, -0.0003345300000000 ] - [ -0.0006026600000000, 0.0000000000000000, -0.0003024600000000 ] - [ -0.0093146100000000, 0.0000000000000000, -0.0044105000000000 ] - [ -0.0093904000000000, 0.0000721700000000, -0.0039124000000000 ] - [ -0.0093904000000000, -0.0000721700000000, -0.0039124000000000 ] - [ -0.0092494100000000, 0.0000000000000000, 0.0063287300000000 ] - [ -0.0106147000000000, 0.0001520800000000, 0.0053265000000000 ] - [ -0.0106147000000000, -0.0001520800000000, 0.0053265000000000 ] - [ -0.0068011000000000, 0.0000000000000000, 0.0033752600000000 ] - [ -0.0040785700000000, 0.0011059300000000, 0.0086986800000000 ] - [ -0.0040785700000000, -0.0011059300000000, 0.0086986800000000 ] - [ 0.1301167000000000, 0.0000000000000000, 0.0022555000000000 ] - [ -0.0049213500000000, -0.0011626600000000, 0.0056519800000000 ] - [ -0.0049213500000000, 0.0011626600000000, 0.0056519800000000 ] - [ -0.0081498700000000, 0.0000000000000000, -0.0000889600000000 ] - [ -0.0073359300000000, -0.0007639000000000, 0.0055098900000000 ] - [ -0.0073359300000000, 0.0007639000000000, 0.0055098900000000 ] - [ -0.0059713700000000, 0.0000000000000000, 0.0043064600000000 ] - [ -0.0066918000000000, 0.0000038200000000, 0.0047386300000000 ] - [ -0.0066918000000000, -0.0000038200000000, 0.0047386300000000 ] - [ -0.2062576500000000, 0.0000000000000000, 0.0131826900000000 ] - [ -0.0083494700000000, -0.0018700400000000, 0.0045148400000000 ] - [ -0.0083494700000000, 0.0018700400000000, 0.0045148400000000 ] - [ -0.0070081200000000, 0.0000000000000000, 0.0039404200000000 ] - [ -0.0069430100000000, -0.0000400400000000, 0.0041554200000000 ] - [ -0.0069430100000000, 0.0000400400000000, 0.0041554200000000 ] - [ -0.0088433400000000, 0.0000000000000000, 0.0021251000000000 ] - [ -0.0087736300000000, 0.0000259300000000, 0.0021729000000000 ] - [ -0.0087736300000000, -0.0000259300000000, 0.0021729000000000 ] - [ -0.0069905400000000, 0.0000000000000000, 0.0043671900000000 ] - [ -0.0070371100000000, -0.0000552100000000, 0.0047002700000000 ] - [ -0.0070371100000000, 0.0000552100000000, 0.0047002700000000 ]- atom: 139 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0019045700000000, -0.0058996200000000, -0.0056537700000000 ] - [ -0.0019045700000000, 0.0058996200000000, -0.0056537700000000 ] - [ -0.0004954700000000, 0.0000000000000000, -0.0002348600000000 ] - [ -0.0000619200000000, 0.0000160800000000, 0.0001098600000000 ] - [ -0.0000619200000000, -0.0000160800000000, 0.0001098600000000 ] - [ -0.0001048300000000, 0.0000000000000000, 0.0000915300000000 ] - [ -0.0002254300000000, 0.0000394500000000, 0.0004511100000000 ] - [ -0.0002254300000000, -0.0000394500000000, 0.0004511100000000 ] - [ -0.0001892300000000, 0.0000000000000000, 0.0003936500000000 ] - [ 0.0197578300000000, 0.0028279600000000, -0.0043869400000000 ] - [ 0.0197578300000000, -0.0028279600000000, -0.0043869400000000 ] - [ 0.0048174200000000, 0.0000000000000000, -0.0035207600000000 ] - [ 0.0101944600000000, 0.0000037900000000, -0.0035209300000000 ] - [ 0.0101944600000000, -0.0000037900000000, -0.0035209300000000 ] - [ 0.0097137100000000, 0.0000000000000000, -0.0033818200000000 ] - [ 0.0008406300000000, -0.0015700300000000, -0.0079704200000000 ] - [ 0.0008406300000000, 0.0015700300000000, -0.0079704200000000 ] - [ 0.0013035600000000, 0.0000000000000000, -0.0071544200000000 ] - [ 0.0140526600000000, 0.0000000000000000, -0.0034951000000000 ] - [ 0.0001806900000000, -0.0000279200000000, -0.0013808500000000 ] - [ 0.0001806900000000, 0.0000279200000000, -0.0013808500000000 ] - [ 0.0363975400000000, 0.0000000000000000, -0.0018540700000000 ] - [ 0.0021493200000000, -0.0004898500000000, 0.0004384600000000 ] - [ 0.0021493200000000, 0.0004898500000000, 0.0004384600000000 ] - [ -0.0167019700000000, 0.0000000000000000, -0.0008965900000000 ] - [ -0.0009766600000000, 0.0002556100000000, -0.0010413000000000 ] - [ -0.0009766600000000, -0.0002556100000000, -0.0010413000000000 ] - [ -0.0503582000000000, 0.0000000000000000, -0.0046713100000000 ] - [ 0.0018071300000000, -0.0001419800000000, -0.0000627600000000 ] - [ 0.0018071300000000, 0.0001419800000000, -0.0000627600000000 ] - [ 0.0143533400000000, 0.0000000000000000, -0.0000045900000000 ] - [ 0.0007719300000000, 0.0004192600000000, -0.0005527500000000 ] - [ 0.0007719300000000, -0.0004192600000000, -0.0005527500000000 ] - [ 0.0033268600000000, 0.0000000000000000, -0.0005784700000000 ] - [ 0.0024956900000000, -0.0004480700000000, -0.0004805200000000 ] - [ 0.0024956900000000, 0.0004480700000000, -0.0004805200000000 ] - [ -0.0155795000000000, 0.0000000000000000, -0.0019617100000000 ] - [ -0.0004229700000000, -0.0004267000000000, -0.0012063700000000 ] - [ -0.0004229700000000, 0.0004267000000000, -0.0012063700000000 ] - [ -0.0005504600000000, 0.0000000000000000, -0.0023341200000000 ] - [ -0.0005056800000000, -0.0000014100000000, -0.0022391200000000 ] - [ -0.0005056800000000, 0.0000014100000000, -0.0022391200000000 ] - [ 0.0024947300000000, 0.0000000000000000, 0.0003715000000000 ] - [ 0.0024970800000000, -0.0000096100000000, 0.0004280600000000 ] - [ 0.0024970800000000, 0.0000096100000000, 0.0004280600000000 ] - [ -0.0005938400000000, 0.0000000000000000, -0.0025341900000000 ] - [ -0.0005652100000000, -0.0001361600000000, -0.0014963100000000 ] - [ -0.0005652100000000, 0.0001361600000000, -0.0014963100000000 ] - [ 0.0016360000000000, 0.0000000000000000, 0.0003518900000000 ] - [ 0.0022385800000000, 0.0006596800000000, 0.0011839300000000 ] - [ 0.0022385800000000, -0.0006596800000000, 0.0011839300000000 ] - [ 0.0003411100000000, 0.0000000000000000, -0.0019126900000000 ] - [ 0.0002085300000000, -0.0000237300000000, -0.0017140000000000 ] - [ 0.0002085300000000, 0.0000237300000000, -0.0017140000000000 ] - [ 0.0027996200000000, 0.0000000000000000, -0.0005328500000000 ] - [ 0.0028888400000000, 0.0000077400000000, -0.0004584600000000 ] - [ 0.0028888400000000, -0.0000077400000000, -0.0004584600000000 ] - [ -0.0002619900000000, 0.0000000000000000, -0.0020098800000000 ] - [ -0.0002840200000000, 0.0000031100000000, -0.0018012800000000 ] - [ -0.0002840200000000, -0.0000031100000000, -0.0018012800000000 ] - [ 0.0005273200000000, 0.0000000000000000, 0.0006873100000000 ] - [ 0.0012797200000000, -0.0000833700000000, 0.0000488000000000 ] - [ 0.0012797200000000, 0.0000833700000000, 0.0000488000000000 ] - [ -0.0001852900000000, 0.0000000000000000, -0.0020548700000000 ] - [ 0.0003832600000000, 0.0001312300000000, -0.0009120800000000 ] - [ 0.0003832600000000, -0.0001312300000000, -0.0009120800000000 ] - [ 0.0024891900000000, 0.0000000000000000, -0.0003163000000000 ] - [ 0.0023866400000000, 0.0000099900000000, -0.0002664300000000 ] - [ 0.0023866400000000, -0.0000099900000000, -0.0002664300000000 ] - [ 0.0000773200000000, 0.0000000000000000, -0.0022789100000000 ] - [ -0.0000914000000000, 0.0000147900000000, -0.0022311100000000 ] - [ -0.0000914000000000, -0.0000147900000000, -0.0022311100000000 ] - [ 0.0023968100000000, 0.0000000000000000, 0.0000161700000000 ] - [ 0.0024011900000000, -0.0000246400000000, 0.0000885500000000 ] - [ 0.0024011900000000, 0.0000246400000000, 0.0000885500000000 ] - [ 0.0035951000000000, 0.0000000000000000, 0.0002288300000000 ] - [ 0.0025141500000000, 0.0003564800000000, 0.0000472000000000 ] - [ 0.0025141500000000, -0.0003564800000000, 0.0000472000000000 ] - [ 0.0063254600000000, 0.0002687500000000, -0.0033371200000000 ] - [ 0.0063254600000000, -0.0002687500000000, -0.0033371200000000 ] - [ 0.0056709400000000, 0.0000000000000000, -0.0035129700000000 ] - [ 0.0046507300000000, 0.0000412900000000, -0.0035329000000000 ] - [ 0.0046507300000000, -0.0000412900000000, -0.0035329000000000 ] - [ 0.0046621700000000, 0.0000000000000000, -0.0035034300000000 ] - [ -0.0133869500000000, -0.0022135200000000, -0.0023024200000000 ] - [ -0.0133869500000000, 0.0022135200000000, -0.0023024200000000 ] - [ 0.0043777800000000, 0.0000000000000000, -0.0023022500000000 ] - [ 0.0069236800000000, -0.0000343000000000, -0.0007714600000000 ] - [ 0.0069236800000000, 0.0000343000000000, -0.0007714600000000 ] - [ 0.0069235800000000, 0.0000000000000000, -0.0007613000000000 ] - [ 0.0039781600000000, 0.0012676600000000, -0.0049704800000000 ] - [ 0.0039781600000000, -0.0012676600000000, -0.0049704800000000 ] - [ 0.0045666000000000, 0.0000000000000000, -0.0044549500000000 ] - [ 0.0051968600000000, 0.0000789900000000, -0.0041664400000000 ] - [ 0.0051968600000000, -0.0000789900000000, -0.0041664400000000 ] - [ 0.0051899100000000, 0.0000000000000000, -0.0041396400000000 ] - [ 0.0068814000000000, -0.0000942900000000, 0.0041987600000000 ] - [ 0.0068814000000000, 0.0000942900000000, 0.0041987600000000 ] - [ 0.0068793100000000, 0.0000000000000000, 0.0042245400000000 ] - [ -0.0055791500000000, 0.0150925500000000, 0.0129640500000000 ] - [ -0.0055791500000000, -0.0150925500000000, 0.0129640500000000 ] - [ 0.0003500000000000, 0.0000000000000000, -0.0001868600000000 ] - [ -0.0047891900000000, -0.0119361200000000, 0.0111854500000000 ] - [ -0.0047891900000000, 0.0119361200000000, 0.0111854500000000 ] - [ -0.0003008800000000, 0.0000000000000000, 0.0000521800000000 ] - [ -0.0004993000000000, -0.0000889700000000, 0.0001122000000000 ] - [ -0.0004993000000000, 0.0000889700000000, 0.0001122000000000 ] - [ -0.0004189000000000, 0.0000000000000000, -0.0000077200000000 ] - [ -0.0039728600000000, 0.0143426700000000, -0.0134052100000000 ] - [ -0.0039728600000000, -0.0143426700000000, -0.0134052100000000 ] - [ -0.0000450500000000, 0.0000000000000000, 0.0000485200000000 ] - [ -0.0004868400000000, -0.0001246000000000, 0.0000702000000000 ] - [ -0.0004868400000000, 0.0001246000000000, 0.0000702000000000 ] - [ -0.0005702700000000, 0.0000000000000000, 0.0000191300000000 ] - [ 0.0000968300000000, 0.0000025100000000, 0.0002181600000000 ] - [ 0.0000968300000000, -0.0000025100000000, 0.0002181600000000 ] - [ 0.0000944400000000, 0.0000000000000000, 0.0001873500000000 ] - [ -0.0006176100000000, 0.0000076500000000, 0.0000131000000000 ] - [ -0.0006176100000000, -0.0000076500000000, 0.0000131000000000 ] - [ -0.0006142300000000, 0.0000000000000000, -0.0000183000000000 ] - [ -0.0095652900000000, 0.0000000000000000, -0.0021955800000000 ] - [ -0.0094849600000000, -0.0000729000000000, -0.0026909400000000 ] - [ -0.0094849600000000, 0.0000729000000000, -0.0026909400000000 ] - [ -0.0131414700000000, 0.0000000000000000, 0.0039450600000000 ] - [ -0.0117492800000000, -0.0001450800000000, 0.0050287100000000 ] - [ -0.0117492800000000, 0.0001450800000000, 0.0050287100000000 ] - [ -0.0000747600000000, 0.0000000000000000, 0.0138536400000000 ] - [ -0.0028423800000000, -0.0011289500000000, 0.0083066200000000 ] - [ -0.0028423800000000, 0.0011289500000000, 0.0083066200000000 ] - [ -0.1435532400000000, 0.0000000000000000, 0.0075770900000000 ] - [ -0.0070351400000000, 0.0012645800000000, 0.0041697300000000 ] - [ -0.0070351400000000, -0.0012645800000000, 0.0041697300000000 ] - [ -0.0046398900000000, 0.0000000000000000, 0.0115171800000000 ] - [ -0.0054553700000000, 0.0007595800000000, 0.0060025100000000 ] - [ -0.0054553700000000, -0.0007595800000000, 0.0060025100000000 ] - [ -0.0090998700000000, 0.0000000000000000, 0.0053372600000000 ] - [ -0.0083558200000000, 0.0000098300000000, 0.0048219500000000 ] - [ -0.0083558200000000, -0.0000098300000000, 0.0048219500000000 ] - [ 0.1867520400000000, 0.0000000000000000, -0.0066584100000000 ] - [ -0.0051431800000000, 0.0016957200000000, 0.0027503100000000 ] - [ -0.0051431800000000, -0.0016957200000000, 0.0027503100000000 ] - [ -0.0069076700000000, 0.0000000000000000, 0.0050321500000000 ] - [ -0.0069684400000000, 0.0000392000000000, 0.0048157100000000 ] - [ -0.0069684400000000, -0.0000392000000000, 0.0048157100000000 ] - [ -0.0086847200000000, 0.0000000000000000, 0.0028929800000000 ] - [ -0.0087502300000000, -0.0000270200000000, 0.0028365900000000 ] - [ -0.0087502300000000, 0.0000270200000000, 0.0028365900000000 ] - [ -0.0070155600000000, 0.0000000000000000, 0.0059457700000000 ] - [ -0.0069624500000000, 0.0000566500000000, 0.0056099700000000 ] - [ -0.0069624500000000, -0.0000566500000000, 0.0056099700000000 ]- atom: 139 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060723800000000, 0.0006642000000000, 0.0066430500000000 ] - [ -0.0072210100000000, 0.0006521300000000, -0.0068594800000000 ] - [ -0.0005367300000000, 0.0026054500000000, -0.0000699900000000 ] - [ -0.0000909700000000, -0.0002679900000000, 0.0003270600000000 ] - [ -0.0001732000000000, -0.0002707200000000, -0.0002087300000000 ] - [ -0.0001324800000000, 0.0005390400000000, 0.0000573600000000 ] - [ -0.0002006100000000, -0.0002850900000000, 0.0005878300000000 ] - [ -0.0001114400000000, -0.0002882700000000, 0.0000335800000000 ] - [ -0.0001555600000000, 0.0005668200000000, 0.0003088900000000 ] - [ 0.0055024800000000, 0.0058699200000000, -0.0039770100000000 ] - [ 0.0035063800000000, 0.0059754600000000, -0.0034175200000000 ] - [ 0.0044943100000000, -0.0131938100000000, -0.0036991900000000 ] - [ 0.0103253800000000, 0.0018423000000000, -0.0045357300000000 ] - [ 0.0089434800000000, 0.0018638000000000, -0.0023477200000000 ] - [ 0.0096359900000000, -0.0036947900000000, -0.0034423800000000 ] - [ 0.0012289700000000, 0.0039261400000000, -0.0088404300000000 ] - [ 0.0015267300000000, 0.0040139000000000, -0.0056251300000000 ] - [ 0.0013795100000000, -0.0086742200000000, -0.0072081700000000 ] - [ -0.0006390700000000, 0.0033871900000000, -0.0012856600000000 ] - [ -0.0008838200000000, -0.0016208600000000, -0.0045619700000000 ] - [ -0.0004055800000000, -0.0016264000000000, 0.0019491600000000 ] - [ 0.0022739400000000, 0.0165773400000000, 0.0002594800000000 ] - [ 0.0147170100000000, -0.0089806100000000, -0.0002965600000000 ] - [ -0.0106839900000000, -0.0089176700000000, 0.0008065500000000 ] - [ -0.0003601200000000, 0.0167608400000000, -0.0016973200000000 ] - [ -0.0013600800000000, -0.0089035800000000, 0.0142065700000000 ] - [ 0.0007142100000000, -0.0088343400000000, -0.0181025500000000 ] - [ 0.0015956000000000, 0.0222144000000000, 0.0000368600000000 ] - [ -0.0108386600000000, -0.0109201900000000, -0.0008718500000000 ] - [ 0.0147258700000000, -0.0108566800000000, 0.0009811500000000 ] - [ -0.0000416700000000, 0.0031433000000000, -0.0013488700000000 ] - [ -0.0005924600000000, -0.0015412900000000, 0.0019463100000000 ] - [ 0.0004920800000000, -0.0015486400000000, -0.0045875400000000 ] - [ 0.0022733000000000, 0.0018730800000000, -0.0000877700000000 ] - [ 0.0032184900000000, -0.0009130000000000, -0.0017136300000000 ] - [ 0.0013424500000000, -0.0009150800000000, 0.0015182700000000 ] - [ 0.0003645600000000, 0.0171162600000000, -0.0015387400000000 ] - [ 0.0009268200000000, -0.0095847200000000, -0.0174114000000000 ] - [ -0.0002391600000000, -0.0095093200000000, 0.0148837400000000 ] - [ -0.0005051600000000, 0.0002037000000000, -0.0019480300000000 ] - [ -0.0004755600000000, -0.0001028800000000, -0.0019301300000000 ] - [ -0.0005343800000000, -0.0001038500000000, -0.0019637300000000 ] - [ 0.0024824300000000, 0.0002371700000000, 0.0005389000000000 ] - [ 0.0025007000000000, -0.0001142300000000, 0.0003301900000000 ] - [ 0.0024623300000000, -0.0001148000000000, 0.0007466000000000 ] - [ -0.0004750600000000, 0.0009571600000000, -0.0011603600000000 ] - [ -0.0003511400000000, -0.0006758900000000, -0.0034997300000000 ] - [ -0.0006046900000000, -0.0006843000000000, 0.0011825200000000 ] - [ 0.0026187600000000, 0.0020203100000000, 0.0004498400000000 ] - [ 0.0015035700000000, -0.0009831300000000, -0.0010808800000000 ] - [ 0.0037070000000000, -0.0009896700000000, 0.0019572700000000 ] - [ 0.0001329000000000, 0.0006590400000000, -0.0015082800000000 ] - [ 0.0001168000000000, -0.0003322500000000, -0.0030110200000000 ] - [ 0.0001476400000000, -0.0003337600000000, -0.0000198700000000 ] - [ 0.0029359600000000, 0.0001709900000000, -0.0003518800000000 ] - [ 0.0030112300000000, -0.0000792600000000, -0.0000622400000000 ] - [ 0.0028572100000000, -0.0000797300000000, -0.0006382900000000 ] - [ -0.0002797400000000, 0.0000931100000000, -0.0014179600000000 ] - [ -0.0002609900000000, -0.0001741800000000, -0.0013177600000000 ] - [ -0.0003023100000000, -0.0001756300000000, -0.0015157700000000 ] - [ 0.0013958600000000, 0.0013629300000000, -0.0001954700000000 ] - [ 0.0026852500000000, -0.0006870300000000, 0.0014162300000000 ] - [ 0.0001477100000000, -0.0006904800000000, -0.0017697300000000 ] - [ 0.0004190500000000, 0.0008774500000000, -0.0004596200000000 ] - [ 0.0006870000000000, -0.0006259700000000, 0.0024739500000000 ] - [ 0.0001505300000000, -0.0006358400000000, -0.0033852500000000 ] - [ 0.0023496000000000, 0.0001722400000000, -0.0001673700000000 ] - [ 0.0022707000000000, -0.0000872900000000, 0.0001096100000000 ] - [ 0.0024297800000000, -0.0000880600000000, -0.0004405200000000 ] - [ -0.0001252800000000, 0.0005187400000000, -0.0020720600000000 ] - [ -0.0001635100000000, -0.0002626100000000, -0.0002529300000000 ] - [ -0.0000874900000000, -0.0002646500000000, -0.0038648700000000 ] - [ 0.0024316600000000, 0.0002607800000000, 0.0001855300000000 ] - [ 0.0023487400000000, -0.0001289900000000, -0.0000228100000000 ] - [ 0.0025136000000000, -0.0001298500000000, 0.0003926900000000 ] - [ 0.0024272500000000, 0.0014168300000000, 0.0002525400000000 ] - [ 0.0013422200000000, -0.0006636500000000, 0.0018152900000000 ] - [ 0.0034852900000000, -0.0006701000000000, -0.0012838400000000 ] - [ 0.0057016700000000, 0.0017343200000000, -0.0018604400000000 ] - [ 0.0053553300000000, 0.0017466100000000, -0.0050853000000000 ] - [ 0.0055275400000000, -0.0034706800000000, -0.0034704300000000 ] - [ 0.0046584700000000, 0.0003893900000000, -0.0032900500000000 ] - [ 0.0046418600000000, 0.0003915600000000, -0.0035252600000000 ] - [ 0.0046500800000000, -0.0007879300000000, -0.0034082300000000 ] - [ 0.0074111800000000, 0.0064883200000000, -0.0014997500000000 ] - [ 0.0023476800000000, 0.0115257600000000, -0.0035681800000000 ] - [ 0.0049421500000000, -0.0337597000000000, -0.0025755000000000 ] - [ 0.0069278600000000, 0.0004210700000000, -0.0007651200000000 ] - [ 0.0069177900000000, 0.0004259200000000, -0.0005799000000000 ] - [ 0.0069227200000000, -0.0008514500000000, -0.0006717500000000 ] - [ 0.0047962000000000, 0.0034649700000000, -0.0026042600000000 ] - [ 0.0046404000000000, 0.0035177000000000, -0.0060433400000000 ] - [ 0.0047187900000000, -0.0077870500000000, -0.0043445800000000 ] - [ 0.0052154000000000, 0.0003997100000000, -0.0038827200000000 ] - [ 0.0051884800000000, 0.0004004300000000, -0.0041171900000000 ] - [ 0.0052020200000000, -0.0009691800000000, -0.0039999200000000 ] - [ 0.0068865100000000, 0.0004563000000000, 0.0042727000000000 ] - [ 0.0068678700000000, 0.0004587400000000, 0.0044586700000000 ] - [ 0.0068773000000000, -0.0010492300000000, 0.0043658600000000 ] - [ -0.0150546500000000, 0.0015524600000000, 0.0142834400000000 ] - [ 0.0160990900000000, 0.0015095200000000, -0.0142133600000000 ] - [ 0.0004355400000000, 0.0068348800000000, 0.0000999600000000 ] - [ 0.0135929200000000, 0.0009131300000000, -0.0139074800000000 ] - [ -0.0143632600000000, 0.0008996400000000, 0.0142456400000000 ] - [ -0.0003070700000000, 0.0056997700000000, 0.0000953200000000 ] - [ -0.0003183100000000, -0.0005740000000000, -0.0008705400000000 ] - [ -0.0004693700000000, -0.0005767000000000, 0.0005349200000000 ] - [ -0.0003956300000000, 0.0011483000000000, -0.0001649800000000 ] - [ -0.0131911900000000, 0.0005594200000000, -0.0132724900000000 ] - [ 0.0132719300000000, 0.0005175700000000, 0.0134919700000000 ] - [ -0.0000321400000000, 0.0064237800000000, 0.0000563200000000 ] - [ -0.0006598500000000, -0.0005835200000000, -0.0006767400000000 ] - [ -0.0005068000000000, -0.0005879500000000, 0.0007570000000000 ] - [ -0.0005819600000000, 0.0011682400000000, 0.0000423900000000 ] - [ 0.0001012600000000, -0.0001959100000000, 0.0000265000000000 ] - [ 0.0000794400000000, -0.0001972700000000, 0.0000345500000000 ] - [ 0.0000909100000000, 0.0003913900000000, 0.0000306300000000 ] - [ -0.0006195200000000, -0.0001963000000000, -0.0001642200000000 ] - [ -0.0005958800000000, -0.0001982300000000, -0.0001576700000000 ] - [ -0.0006078700000000, 0.0003981300000000, -0.0001607900000000 ] - [ -0.0094385100000000, -0.0006459200000000, -0.0033020500000000 ] - [ -0.0093250000000000, 0.0005120500000000, -0.0048067300000000 ] - [ -0.0095501200000000, 0.0005148400000000, -0.0018033000000000 ] - [ -0.0111801800000000, -0.0045913100000000, 0.0052023500000000 ] - [ -0.0111446200000000, 0.0022970900000000, 0.0012147900000000 ] - [ -0.0112214800000000, 0.0023106600000000, 0.0091363000000000 ] - [ -0.0034565000000000, -0.0083210800000000, 0.0086246600000000 ] - [ -0.0050412600000000, 0.0043446600000000, -0.0048306200000000 ] - [ -0.0018854000000000, 0.0044109800000000, 0.0217556900000000 ] - [ -0.0060207300000000, -0.0122327600000000, 0.0049148300000000 ] - [ -0.0075640300000000, 0.0061693200000000, 0.0048220800000000 ] - [ -0.0044314600000000, 0.0062539400000000, 0.0050071800000000 ] - [ -0.0064018200000000, -0.0066479400000000, 0.0056856000000000 ] - [ -0.0057452500000000, 0.0035694100000000, 0.0177977300000000 ] - [ -0.0070404000000000, 0.0036135400000000, -0.0062111400000000 ] - [ -0.0075276200000000, -0.0044440500000000, 0.0047645700000000 ] - [ -0.0076169500000000, 0.0022445600000000, 0.0083416500000000 ] - [ -0.0074330400000000, 0.0022473700000000, 0.0012246600000000 ] - [ -0.0066409300000000, -0.1773806900000000, 0.0035257100000000 ] - [ -0.0049855600000000, 0.0853047000000000, 0.0037252300000000 ] - [ -0.0085494900000000, 0.0847239100000000, 0.0035401800000000 ] - [ -0.0069558000000000, -0.0006772200000000, 0.0044827400000000 ] - [ -0.0069323800000000, 0.0003389400000000, 0.0053467200000000 ] - [ -0.0069772700000000, 0.0003418500000000, 0.0036229900000000 ] - [ -0.0087618000000000, -0.0006809200000000, 0.0025112600000000 ] - [ -0.0088413200000000, 0.0003395600000000, 0.0015052400000000 ] - [ -0.0086817300000000, 0.0003432400000000, 0.0035009800000000 ] - [ -0.0070022600000000, -0.0005566400000000, 0.0051551500000000 ] - [ -0.0069636000000000, 0.0004646000000000, 0.0062475700000000 ] - [ -0.0070372300000000, 0.0004647200000000, 0.0040610300000000 ]- atom: 139 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ 0.0055055700000000, 0.0067249800000000, -0.0011878400000000 ] - [ 0.0055055700000000, -0.0067249800000000, -0.0011878400000000 ] - [ -0.0003701600000000, 0.0000000000000000, -0.0016194200000000 ] - [ 0.0005517500000000, 0.0010625800000000, 0.0017833000000000 ] - [ 0.0005517500000000, -0.0010625800000000, 0.0017833000000000 ] - [ 0.0001186500000000, 0.0000000000000000, 0.0008832900000000 ] - [ -0.0007723200000000, 0.0011875400000000, 0.0022083100000000 ] - [ -0.0007723200000000, -0.0011875400000000, 0.0022083100000000 ] - [ -0.0003489300000000, 0.0000000000000000, 0.0012413500000000 ] - [ 0.0043613100000000, -0.0002182500000000, 0.0011680100000000 ] - [ 0.0043613100000000, 0.0002182500000000, 0.0011680100000000 ] - [ 0.0047123600000000, 0.0000000000000000, -0.0011448800000000 ] - [ 0.0101069800000000, -0.0049896500000000, -0.0031806400000000 ] - [ 0.0101069800000000, 0.0049896500000000, -0.0031806400000000 ] - [ 0.0095924400000000, 0.0000000000000000, -0.0029069400000000 ] - [ 0.0008267600000000, -0.0204990100000000, -0.0149648900000000 ] - [ 0.0008267600000000, 0.0204990100000000, -0.0149648900000000 ] - [ 0.0014112200000000, 0.0000000000000000, -0.0067609700000000 ] - [ -0.0016549100000000, 0.0000000000000000, 0.0092641300000000 ] - [ -0.0005321700000000, -0.0014101700000000, 0.0037946500000000 ] - [ -0.0005321700000000, 0.0014101700000000, 0.0037946500000000 ] - [ -0.0026757600000000, 0.0000000000000000, 0.0177614900000000 ] - [ 0.0021720400000000, -0.0002425500000000, 0.0031155500000000 ] - [ 0.0021720400000000, 0.0002425500000000, 0.0031155500000000 ] - [ -0.0038665900000000, 0.0000000000000000, 0.0200200000000000 ] - [ -0.0006221800000000, 0.0018744400000000, 0.0068745800000000 ] - [ -0.0006221800000000, -0.0018744400000000, 0.0068745800000000 ] - [ 0.0084955700000000, 0.0000000000000000, 0.0226789000000000 ] - [ 0.0021327000000000, -0.0000846400000000, 0.0037987900000000 ] - [ 0.0021327000000000, 0.0000846400000000, 0.0037987900000000 ] - [ 0.0020998100000000, 0.0000000000000000, 0.0101469900000000 ] - [ 0.0013804900000000, 0.0016014600000000, 0.0045908500000000 ] - [ 0.0013804900000000, -0.0016014600000000, 0.0045908500000000 ] - [ 0.0153450400000000, 0.0000000000000000, -0.0068773200000000 ] - [ 0.0035822000000000, -0.0015981600000000, -0.0000461700000000 ] - [ 0.0035822000000000, 0.0015981600000000, -0.0000461700000000 ] - [ -0.0045943700000000, 0.0000000000000000, 0.0141074400000000 ] - [ 0.0001137000000000, -0.0017843500000000, 0.0066061000000000 ] - [ 0.0001137000000000, 0.0017843500000000, 0.0066061000000000 ] - [ -0.0006254200000000, 0.0000000000000000, -0.0095393800000000 ] - [ -0.0005662900000000, 0.0000261600000000, -0.0070582000000000 ] - [ -0.0005662900000000, -0.0000261600000000, -0.0070582000000000 ] - [ 0.0029292100000000, 0.0000000000000000, -0.0025413900000000 ] - [ 0.0027483300000000, -0.0002596900000000, -0.0012864000000000 ] - [ 0.0027483300000000, 0.0002596900000000, -0.0012864000000000 ] - [ 0.0003021400000000, 0.0000000000000000, -0.0180699100000000 ] - [ -0.0005324100000000, -0.0018016300000000, -0.0060874900000000 ] - [ -0.0005324100000000, 0.0018016300000000, -0.0060874900000000 ] - [ -0.0114651500000000, 0.0000000000000000, -0.0066872000000000 ] - [ 0.0012773600000000, -0.0016994300000000, 0.0005311400000000 ] - [ 0.0012773600000000, 0.0016994300000000, 0.0005311400000000 ] - [ -0.0003145300000000, 0.0000000000000000, -0.0091196600000000 ] - [ 0.0000151100000000, -0.0006169200000000, -0.0044437800000000 ] - [ 0.0000151100000000, 0.0006169200000000, -0.0044437800000000 ] - [ 0.0019040700000000, 0.0000000000000000, -0.0037750100000000 ] - [ 0.0025145800000000, 0.0001984500000000, -0.0021403000000000 ] - [ 0.0025145800000000, -0.0001984500000000, -0.0021403000000000 ] - [ -0.0003551900000000, 0.0000000000000000, -0.0114544800000000 ] - [ -0.0002589900000000, 0.0000531100000000, -0.0075510800000000 ] - [ -0.0002589900000000, -0.0000531100000000, -0.0075510800000000 ] - [ -0.0146469300000000, 0.0000000000000000, -0.0071700700000000 ] - [ -0.0002684700000000, 0.0015396500000000, 0.0001893200000000 ] - [ -0.0002684700000000, -0.0015396500000000, 0.0001893200000000 ] - [ -0.0016107100000000, 0.0000000000000000, -0.0232337700000000 ] - [ 0.0005743100000000, 0.0017024800000000, -0.0067474800000000 ] - [ 0.0005743100000000, -0.0017024800000000, -0.0067474800000000 ] - [ 0.0033033500000000, 0.0000000000000000, -0.0033473300000000 ] - [ 0.0027075700000000, 0.0002559700000000, -0.0017440200000000 ] - [ 0.0027075700000000, -0.0002559700000000, -0.0017440200000000 ] - [ 0.0001304900000000, 0.0000000000000000, -0.0109948600000000 ] - [ -0.0001392600000000, 0.0005207900000000, -0.0055513500000000 ] - [ -0.0001392600000000, -0.0005207900000000, -0.0055513500000000 ] - [ 0.0015063000000000, 0.0000000000000000, -0.0029765300000000 ] - [ 0.0020050700000000, -0.0003387800000000, -0.0016707700000000 ] - [ 0.0020050700000000, 0.0003387800000000, -0.0016707700000000 ] - [ 0.0165068500000000, 0.0000000000000000, -0.0078620000000000 ] - [ 0.0041421400000000, 0.0017511800000000, 0.0005619600000000 ] - [ 0.0041421400000000, -0.0017511800000000, 0.0005619600000000 ] - [ 0.0052120700000000, 0.0038338400000000, -0.0036365300000000 ] - [ 0.0052120700000000, -0.0038338400000000, -0.0036365300000000 ] - [ 0.0055091600000000, 0.0000000000000000, -0.0032806400000000 ] - [ 0.0046222700000000, 0.0008748000000000, -0.0056502900000000 ] - [ 0.0046222700000000, -0.0008748000000000, -0.0056502900000000 ] - [ 0.0046515100000000, 0.0000000000000000, -0.0050780000000000 ] - [ 0.0041662300000000, -0.0022878500000000, 0.0176389500000000 ] - [ 0.0041662300000000, 0.0022878500000000, 0.0176389500000000 ] - [ 0.0046437200000000, 0.0000000000000000, 0.0009052000000000 ] - [ 0.0068865700000000, -0.0011074800000000, -0.0027791300000000 ] - [ 0.0068865700000000, 0.0011074800000000, -0.0027791300000000 ] - [ 0.0068692600000000, 0.0000000000000000, -0.0022944600000000 ] - [ 0.0049156400000000, 0.0168574300000000, -0.0113645500000000 ] - [ 0.0049156400000000, -0.0168574300000000, -0.0113645500000000 ] - [ 0.0049506100000000, 0.0000000000000000, -0.0042853600000000 ] - [ 0.0051943000000000, 0.0013667400000000, -0.0067600700000000 ] - [ 0.0051943000000000, -0.0013667400000000, -0.0067600700000000 ] - [ 0.0052262500000000, 0.0000000000000000, -0.0061434800000000 ] - [ 0.0069908300000000, -0.0017452600000000, 0.0016629100000000 ] - [ 0.0069908300000000, 0.0017452600000000, 0.0016629100000000 ] - [ 0.0069492400000000, 0.0000000000000000, 0.0022788400000000 ] - [ -0.0145156300000000, 0.0155071700000000, -0.0027140200000000 ] - [ -0.0145156300000000, -0.0155071700000000, -0.0027140200000000 ] - [ 0.0000019000000000, 0.0000000000000000, -0.0029157400000000 ] - [ -0.0128366400000000, -0.0133452800000000, -0.0021013600000000 ] - [ -0.0128366400000000, 0.0133452800000000, -0.0021013600000000 ] - [ -0.0005592400000000, 0.0000000000000000, -0.0025352200000000 ] - [ -0.0017584200000000, -0.0019217000000000, 0.0031484000000000 ] - [ -0.0017584200000000, 0.0019217000000000, 0.0031484000000000 ] - [ -0.0008345000000000, 0.0000000000000000, 0.0012481000000000 ] - [ 0.0118203100000000, -0.0129915300000000, -0.0012980000000000 ] - [ 0.0118203100000000, 0.0129915300000000, -0.0012980000000000 ] - [ 0.0001440400000000, 0.0000000000000000, -0.0028857100000000 ] - [ 0.0007769200000000, -0.0022093200000000, 0.0036650700000000 ] - [ 0.0007769200000000, 0.0022093200000000, 0.0036650700000000 ] - [ -0.0001487700000000, 0.0000000000000000, 0.0015345400000000 ] - [ 0.0001173300000000, 0.0000812000000000, 0.0033245600000000 ] - [ 0.0001173300000000, -0.0000812000000000, 0.0033245600000000 ] - [ 0.0000994700000000, 0.0000000000000000, 0.0026318300000000 ] - [ -0.0006354700000000, 0.0000650400000000, 0.0029160900000000 ] - [ -0.0006354700000000, -0.0000650400000000, 0.0029160900000000 ] - [ -0.0006130800000000, 0.0000000000000000, 0.0022583100000000 ] - [ -0.0108522300000000, 0.0000000000000000, 0.0149316300000000 ] - [ -0.0102104300000000, -0.0014421700000000, 0.0058260800000000 ] - [ -0.0102104300000000, 0.0014421700000000, 0.0058260800000000 ] - [ -0.0106743500000000, 0.0000000000000000, 0.0055736300000000 ] - [ -0.0111215700000000, -0.0043939500000000, 0.0042917600000000 ] - [ -0.0111215700000000, 0.0043939500000000, 0.0042917600000000 ] - [ 0.0075564500000000, 0.0000000000000000, 0.0937849000000000 ] - [ -0.0034906700000000, -0.0152111100000000, 0.0073744300000000 ] - [ -0.0034906700000000, 0.0152111100000000, 0.0073744300000000 ] - [ -0.0004150800000000, 0.0000000000000000, -0.0133208300000000 ] - [ -0.0070937400000000, -0.0000605600000000, -0.0041724600000000 ] - [ -0.0070937400000000, 0.0000605600000000, -0.0041724600000000 ] - [ -0.0027222500000000, 0.0000000000000000, 0.0788757700000000 ] - [ -0.0064260100000000, 0.0113291800000000, 0.0040463300000000 ] - [ -0.0064260100000000, -0.0113291800000000, 0.0040463300000000 ] - [ -0.0079224300000000, 0.0000000000000000, 0.0034208400000000 ] - [ -0.0075747500000000, 0.0031782800000000, 0.0037339600000000 ] - [ -0.0075747500000000, -0.0031782800000000, 0.0037339600000000 ] - [ 0.0032577400000000, 0.0000000000000000, -0.1933618300000000 ] - [ -0.0058824900000000, -0.0002091700000000, -0.0089707700000000 ] - [ -0.0058824900000000, 0.0002091700000000, -0.0089707700000000 ] - [ -0.0067603000000000, 0.0000000000000000, 0.0144791400000000 ] - [ -0.0069237600000000, 0.0007840500000000, 0.0101213000000000 ] - [ -0.0069237600000000, -0.0007840500000000, 0.0101213000000000 ] - [ -0.0081178400000000, 0.0000000000000000, 0.0135909600000000 ] - [ -0.0084565000000000, -0.0008988400000000, 0.0085719000000000 ] - [ -0.0084565000000000, 0.0008988400000000, 0.0085719000000000 ] - [ -0.0063579200000000, 0.0000000000000000, 0.0189479200000000 ] - [ -0.0066573800000000, 0.0010431000000000, 0.0123718900000000 ] - [ -0.0066573800000000, -0.0010431000000000, 0.0123718900000000 ]- atom: 139 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0066347200000000, -0.0067889700000000, 0.0010857100000000 ] - [ -0.0066347200000000, 0.0067889700000000, 0.0010857100000000 ] - [ -0.0006976100000000, 0.0000000000000000, 0.0014962500000000 ] - [ -0.0008206400000000, -0.0010675700000000, -0.0016693500000000 ] - [ -0.0008206400000000, 0.0010675700000000, -0.0016693500000000 ] - [ -0.0003835900000000, 0.0000000000000000, -0.0007636900000000 ] - [ 0.0004640400000000, -0.0011934600000000, -0.0015904900000000 ] - [ 0.0004640400000000, 0.0011934600000000, -0.0015904900000000 ] - [ 0.0000373000000000, 0.0000000000000000, -0.0006179900000000 ] - [ 0.0046249500000000, 0.0001618200000000, -0.0085564500000000 ] - [ 0.0046249500000000, -0.0001618200000000, -0.0085564500000000 ] - [ 0.0042644300000000, 0.0000000000000000, -0.0062512400000000 ] - [ 0.0091663100000000, 0.0050058400000000, -0.0037189900000000 ] - [ 0.0091663100000000, -0.0050058400000000, -0.0037189900000000 ] - [ 0.0096815300000000, 0.0000000000000000, -0.0039879700000000 ] - [ 0.0019323300000000, 0.0206060800000000, 0.0005963900000000 ] - [ 0.0019323300000000, -0.0206060800000000, 0.0005963900000000 ] - [ 0.0013431800000000, 0.0000000000000000, -0.0076955300000000 ] - [ 0.0003744300000000, 0.0000000000000000, -0.0117416800000000 ] - [ -0.0007564100000000, 0.0014034800000000, -0.0063661500000000 ] - [ -0.0007564100000000, -0.0014034800000000, -0.0063661500000000 ] - [ 0.0070951200000000, 0.0000000000000000, -0.0172802500000000 ] - [ 0.0017468000000000, 0.0002614800000000, -0.0025944200000000 ] - [ 0.0017468000000000, -0.0002614800000000, -0.0025944200000000 ] - [ 0.0038070700000000, 0.0000000000000000, -0.0294048600000000 ] - [ -0.0000119000000000, -0.0018431400000000, -0.0109253200000000 ] - [ -0.0000119000000000, 0.0018431400000000, -0.0109253200000000 ] - [ -0.0052114200000000, 0.0000000000000000, -0.0226958300000000 ] - [ 0.0017937100000000, 0.0001064900000000, -0.0036825500000000 ] - [ 0.0017937100000000, -0.0001064900000000, -0.0036825500000000 ] - [ -0.0021561900000000, 0.0000000000000000, -0.0129713900000000 ] - [ -0.0014850100000000, -0.0016093100000000, -0.0072742000000000 ] - [ -0.0014850100000000, 0.0016093100000000, -0.0072742000000000 ] - [ -0.0106629900000000, 0.0000000000000000, 0.0066151100000000 ] - [ 0.0009805400000000, 0.0015862200000000, -0.0001287400000000 ] - [ 0.0009805400000000, -0.0015862200000000, -0.0001287400000000 ] - [ 0.0048479700000000, 0.0000000000000000, -0.0120617400000000 ] - [ 0.0005693400000000, 0.0018111700000000, -0.0089799700000000 ] - [ 0.0005693400000000, -0.0018111700000000, -0.0089799700000000 ] - [ -0.0003840400000000, 0.0000000000000000, 0.0056410900000000 ] - [ -0.0004446600000000, -0.0000273000000000, 0.0031646100000000 ] - [ -0.0004446600000000, 0.0000273000000000, 0.0031646100000000 ] - [ 0.0020351400000000, 0.0000000000000000, 0.0036152300000000 ] - [ 0.0022174800000000, 0.0002576700000000, 0.0023654100000000 ] - [ 0.0022174800000000, -0.0002576700000000, 0.0023654100000000 ] - [ -0.0012694800000000, 0.0000000000000000, 0.0157498800000000 ] - [ -0.0004241600000000, 0.0017861200000000, 0.0037768200000000 ] - [ -0.0004241600000000, -0.0017861200000000, 0.0037768200000000 ] - [ 0.0166008700000000, 0.0000000000000000, 0.0075060800000000 ] - [ 0.0039315900000000, 0.0016909100000000, 0.0003657900000000 ] - [ 0.0039315900000000, -0.0016909100000000, 0.0003657900000000 ] - [ 0.0005825700000000, 0.0000000000000000, 0.0060862800000000 ] - [ 0.0002488100000000, 0.0006137300000000, 0.0014336300000000 ] - [ 0.0002488100000000, -0.0006137300000000, 0.0014336300000000 ] - [ 0.0039714500000000, 0.0000000000000000, 0.0030765800000000 ] - [ 0.0033572800000000, -0.0001995400000000, 0.0014378800000000 ] - [ 0.0033572800000000, 0.0001995400000000, 0.0014378800000000 ] - [ -0.0002083200000000, 0.0000000000000000, 0.0086161400000000 ] - [ -0.0003046900000000, -0.0000542300000000, 0.0047155000000000 ] - [ -0.0003046900000000, 0.0000542300000000, 0.0047155000000000 ] - [ 0.0176045600000000, 0.0000000000000000, 0.0068534300000000 ] - [ 0.0031005500000000, -0.0015492800000000, -0.0005606100000000 ] - [ 0.0031005500000000, 0.0015492800000000, -0.0005606100000000 ] - [ 0.0024540200000000, 0.0000000000000000, 0.0223208600000000 ] - [ 0.0002618300000000, -0.0017121200000000, 0.0058230700000000 ] - [ 0.0002618300000000, 0.0017121200000000, 0.0058230700000000 ] - [ 0.0013963100000000, 0.0000000000000000, 0.0030210900000000 ] - [ 0.0019900500000000, -0.0002571300000000, 0.0014112900000000 ] - [ 0.0019900500000000, 0.0002571300000000, 0.0014112900000000 ] - [ -0.0003749000000000, 0.0000000000000000, 0.0068550000000000 ] - [ -0.0001111200000000, -0.0005223800000000, 0.0014150000000000 ] - [ -0.0001111200000000, 0.0005223800000000, 0.0014150000000000 ] - [ 0.0033588100000000, 0.0000000000000000, 0.0033425400000000 ] - [ 0.0028554700000000, 0.0003366700000000, 0.0020428100000000 ] - [ 0.0028554700000000, -0.0003366700000000, 0.0020428100000000 ] - [ -0.0117369500000000, 0.0000000000000000, 0.0084301800000000 ] - [ 0.0006828900000000, -0.0017617800000000, -0.0000475200000000 ] - [ 0.0006828900000000, 0.0017617800000000, -0.0000475200000000 ] - [ 0.0058445100000000, -0.0038183400000000, -0.0032862800000000 ] - [ 0.0058445100000000, 0.0038183400000000, -0.0032862800000000 ] - [ 0.0055456300000000, 0.0000000000000000, -0.0036463800000000 ] - [ 0.0046773800000000, -0.0008700200000000, -0.0011650000000000 ] - [ 0.0046773800000000, 0.0008700200000000, -0.0011650000000000 ] - [ 0.0046482700000000, 0.0000000000000000, -0.0017340500000000 ] - [ 0.0057460900000000, 0.0027557200000000, -0.0228430100000000 ] - [ 0.0057460900000000, -0.0027557200000000, -0.0228430100000000 ] - [ 0.0052563900000000, 0.0000000000000000, -0.0060664100000000 ] - [ 0.0069585500000000, 0.0011095200000000, 0.0014339700000000 ] - [ 0.0069585500000000, -0.0011095200000000, 0.0014339700000000 ] - [ 0.0069759000000000, 0.0000000000000000, 0.0009481600000000 ] - [ 0.0045230000000000, -0.0167444800000000, 0.0026133800000000 ] - [ 0.0045230000000000, 0.0167444800000000, 0.0026133800000000 ] - [ 0.0044893900000000, 0.0000000000000000, -0.0043628300000000 ] - [ 0.0052097300000000, -0.0013619900000000, -0.0012428100000000 ] - [ 0.0052097300000000, 0.0013619900000000, -0.0012428100000000 ] - [ 0.0051781800000000, 0.0000000000000000, -0.0018571700000000 ] - [ 0.0067632400000000, 0.0017498900000000, 0.0070724700000000 ] - [ 0.0067632400000000, -0.0017498900000000, 0.0070724700000000 ] - [ 0.0068051600000000, 0.0000000000000000, 0.0064538900000000 ] - [ 0.0155113000000000, -0.0156259400000000, 0.0030145000000000 ] - [ 0.0155113000000000, 0.0156259400000000, 0.0030145000000000 ] - [ 0.0008527900000000, 0.0000000000000000, 0.0031474100000000 ] - [ 0.0120995300000000, 0.0131961400000000, 0.0022161800000000 ] - [ 0.0120995300000000, -0.0131961400000000, 0.0022161800000000 ] - [ -0.0000394200000000, 0.0000000000000000, 0.0026984000000000 ] - [ 0.0009575000000000, 0.0019095500000000, -0.0034739300000000 ] - [ 0.0009575000000000, -0.0019095500000000, -0.0034739300000000 ] - [ 0.0000420600000000, 0.0000000000000000, -0.0015906800000000 ] - [ -0.0117664600000000, 0.0128868000000000, 0.0013229300000000 ] - [ -0.0117664600000000, -0.0128868000000000, 0.0013229300000000 ] - [ -0.0002217100000000, 0.0000000000000000, 0.0029638800000000 ] - [ -0.0019304000000000, 0.0021973300000000, -0.0035752000000000 ] - [ -0.0019304000000000, -0.0021973300000000, -0.0035752000000000 ] - [ -0.0010141800000000, 0.0000000000000000, -0.0014618700000000 ] - [ 0.0000619200000000, -0.0000833700000000, -0.0032646700000000 ] - [ 0.0000619200000000, 0.0000833700000000, -0.0032646700000000 ] - [ 0.0000805200000000, 0.0000000000000000, -0.0025723600000000 ] - [ -0.0005783200000000, -0.0000672300000000, -0.0032388000000000 ] - [ -0.0005783200000000, 0.0000672300000000, -0.0032388000000000 ] - [ -0.0006004400000000, 0.0000000000000000, -0.0025802100000000 ] - [ -0.0080235300000000, 0.0000000000000000, -0.0215625800000000 ] - [ -0.0086642300000000, 0.0014476600000000, -0.0124338700000000 ] - [ -0.0086642300000000, -0.0014476600000000, -0.0124338700000000 ] - [ -0.0117345200000000, 0.0000000000000000, 0.0049178800000000 ] - [ -0.0112454800000000, 0.0044081200000000, 0.0061078700000000 ] - [ -0.0112454800000000, -0.0044081200000000, 0.0061078700000000 ] - [ -0.0145642300000000, 0.0000000000000000, -0.0775285600000000 ] - [ -0.0034208500000000, 0.0153015100000000, 0.0096960600000000 ] - [ -0.0034208500000000, -0.0153015100000000, 0.0096960600000000 ] - [ -0.0115707900000000, 0.0000000000000000, 0.0231487400000000 ] - [ -0.0048451500000000, 0.0000298900000000, 0.0140068700000000 ] - [ -0.0048451500000000, -0.0000298900000000, 0.0140068700000000 ] - [ -0.0100181000000000, 0.0000000000000000, -0.0665318500000000 ] - [ -0.0063638400000000, -0.0112471000000000, 0.0074132700000000 ] - [ -0.0063638400000000, 0.0112471000000000, 0.0074132700000000 ] - [ -0.0071602400000000, 0.0000000000000000, 0.0060352700000000 ] - [ -0.0074747400000000, -0.0031651000000000, 0.0057892600000000 ] - [ -0.0074747400000000, 0.0031651000000000, 0.0057892600000000 ] - [ -0.0169875800000000, 0.0000000000000000, 0.2017963700000000 ] - [ -0.0076488500000000, -0.0000262900000000, 0.0162407000000000 ] - [ -0.0076488500000000, 0.0000262900000000, 0.0162407000000000 ] - [ -0.0071543000000000, 0.0000000000000000, -0.0054960200000000 ] - [ -0.0069875000000000, -0.0007795200000000, -0.0011620600000000 ] - [ -0.0069875000000000, 0.0007795200000000, -0.0011620600000000 ] - [ -0.0094092800000000, 0.0000000000000000, -0.0085800900000000 ] - [ -0.0090664800000000, 0.0009017400000000, -0.0035559700000000 ] - [ -0.0090664800000000, -0.0009017400000000, -0.0035559700000000 ] - [ -0.0076427000000000, 0.0000000000000000, -0.0086205500000000 ] - [ -0.0073423700000000, -0.0010371900000000, -0.0020609900000000 ] - [ -0.0073423700000000, 0.0010371900000000, -0.0020609900000000 ]- atom: 142 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005329800000000, 0.0000055500000000, -0.0000657100000000 ] - [ -0.0005329800000000, -0.0000055500000000, -0.0000657100000000 ] - [ -0.0005356700000000, 0.0000000000000000, -0.0000640400000000 ] - [ -0.0001669400000000, 0.0000239400000000, 0.0001326000000000 ] - [ -0.0001669400000000, -0.0000239400000000, 0.0001326000000000 ] - [ -0.0001480900000000, 0.0000000000000000, 0.0001449600000000 ] - [ -0.0001335700000000, 0.0000112500000000, 0.0002635600000000 ] - [ -0.0001335700000000, -0.0000112500000000, 0.0002635600000000 ] - [ -0.0001526400000000, 0.0000000000000000, 0.0003040000000000 ] - [ 0.0044907300000000, 0.0000156200000000, -0.0036862500000000 ] - [ 0.0044907300000000, -0.0000156200000000, -0.0036862500000000 ] - [ 0.0045021600000000, 0.0000000000000000, -0.0036948200000000 ] - [ 0.0096340100000000, -0.0000257300000000, -0.0034318000000000 ] - [ 0.0096340100000000, 0.0000257300000000, -0.0034318000000000 ] - [ 0.0096356000000000, 0.0000000000000000, -0.0034323900000000 ] - [ 0.0013782300000000, -0.0000413100000000, -0.0072231900000000 ] - [ 0.0013782300000000, 0.0000413100000000, -0.0072231900000000 ] - [ 0.0013737700000000, 0.0000000000000000, -0.0072318700000000 ] - [ -0.0004355500000000, 0.0000000000000000, -0.0008909900000000 ] - [ -0.0005654900000000, 0.0000176800000000, -0.0012418200000000 ] - [ -0.0005654900000000, -0.0000176800000000, -0.0012418200000000 ] - [ 0.0019155100000000, 0.0000000000000000, 0.0002155900000000 ] - [ 0.0019555100000000, 0.0000102300000000, 0.0002620900000000 ] - [ 0.0019555100000000, -0.0000102300000000, 0.0002620900000000 ] - [ -0.0003032700000000, 0.0000000000000000, -0.0019988600000000 ] - [ -0.0003213600000000, 0.0000071000000000, -0.0020135800000000 ] - [ -0.0003213600000000, -0.0000071000000000, -0.0020135800000000 ] - [ 0.0020410600000000, 0.0000000000000000, 0.0000124100000000 ] - [ 0.0019564700000000, 0.0000000300000000, 0.0000452700000000 ] - [ 0.0019564700000000, -0.0000000300000000, 0.0000452700000000 ] - [ 0.0000599500000000, 0.0000000000000000, -0.0012743800000000 ] - [ -0.0000459400000000, 0.0000033100000000, -0.0013159300000000 ] - [ -0.0000459400000000, -0.0000033100000000, -0.0013159300000000 ] - [ 0.0020708800000000, 0.0000000000000000, -0.0003659900000000 ] - [ 0.0024229400000000, -0.0006023000000000, 0.0005156600000000 ] - [ 0.0024229400000000, 0.0006023000000000, 0.0005156600000000 ] - [ 0.0001569500000000, 0.0000000000000000, -0.0014738400000000 ] - [ 0.0002629400000000, 0.0000208900000000, -0.0012569900000000 ] - [ 0.0002629400000000, -0.0000208900000000, -0.0012569900000000 ] - [ 0.0159512700000000, 0.0000000000000000, -0.0078311100000000 ] - [ 0.0003043800000000, 0.0002898400000000, -0.0019643800000000 ] - [ 0.0003043800000000, -0.0002898400000000, -0.0019643800000000 ] - [ 0.0443717100000000, 0.0000000000000000, 0.0049112500000000 ] - [ 0.0025889400000000, 0.0000168900000000, 0.0008787600000000 ] - [ 0.0025889400000000, -0.0000168900000000, 0.0008787600000000 ] - [ -0.0163158300000000, 0.0000000000000000, -0.0030455600000000 ] - [ -0.0011196700000000, -0.0001119100000000, -0.0010970200000000 ] - [ -0.0011196700000000, 0.0001119100000000, -0.0010970200000000 ] - [ 0.0024094500000000, 0.0000000000000000, -0.0002109300000000 ] - [ 0.0024911600000000, 0.0004978600000000, -0.0000402900000000 ] - [ 0.0024911600000000, -0.0004978600000000, -0.0000402900000000 ] - [ 0.0177743500000000, 0.0000000000000000, 0.0049532000000000 ] - [ 0.0008146200000000, 0.0001478700000000, -0.0015518300000000 ] - [ 0.0008146200000000, -0.0001478700000000, -0.0015518300000000 ] - [ 0.0036718900000000, 0.0000000000000000, -0.0009697200000000 ] - [ 0.0031400500000000, -0.0009479600000000, -0.0013507600000000 ] - [ 0.0031400500000000, 0.0009479600000000, -0.0013507600000000 ] - [ -0.0140817100000000, 0.0000000000000000, 0.0008152400000000 ] - [ -0.0009472600000000, 0.0000244800000000, -0.0013903700000000 ] - [ -0.0009472600000000, -0.0000244800000000, -0.0013903700000000 ] - [ 0.0014018000000000, 0.0000000000000000, -0.0001772600000000 ] - [ 0.0014257900000000, 0.0000057500000000, -0.0001969700000000 ] - [ 0.0014257900000000, -0.0000057500000000, -0.0001969700000000 ] - [ 0.0001303900000000, 0.0000000000000000, -0.0004241900000000 ] - [ 0.0003416700000000, 0.0000177200000000, -0.0005823600000000 ] - [ 0.0003416700000000, -0.0000177200000000, -0.0005823600000000 ] - [ 0.0018152000000000, 0.0000000000000000, -0.0001448800000000 ] - [ 0.0021188800000000, 0.0002700600000000, 0.0000448300000000 ] - [ 0.0021188800000000, -0.0002700600000000, 0.0000448300000000 ] - [ 0.0002232100000000, 0.0000000000000000, -0.0017359800000000 ] - [ -0.0000519200000000, 0.0000925500000000, -0.0020585400000000 ] - [ -0.0000519200000000, -0.0000925500000000, -0.0020585400000000 ] - [ -0.0236812700000000, 0.0000000000000000, 0.0004440400000000 ] - [ 0.0020807700000000, 0.0003202100000000, 0.0002930900000000 ] - [ 0.0020807700000000, -0.0003202100000000, 0.0002930900000000 ] - [ 0.0024324000000000, 0.0000000000000000, 0.0002636900000000 ] - [ 0.0024005900000000, 0.0000047700000000, 0.0002503800000000 ] - [ 0.0024005900000000, -0.0000047700000000, 0.0002503800000000 ] - [ 0.0063052600000000, 0.0000068800000000, -0.0035634000000000 ] - [ 0.0063052600000000, -0.0000068800000000, -0.0035634000000000 ] - [ 0.0056806600000000, 0.0000000000000000, -0.0034990200000000 ] - [ 0.0215975200000000, 0.0038090400000000, -0.0032380900000000 ] - [ 0.0215975200000000, -0.0038090400000000, -0.0032380900000000 ] - [ 0.0050699400000000, 0.0000000000000000, -0.0034723400000000 ] - [ 0.0049452600000000, -0.0000312900000000, -0.0025988400000000 ] - [ 0.0049452600000000, 0.0000312900000000, -0.0025988400000000 ] - [ 0.0049343200000000, 0.0000000000000000, -0.0025872900000000 ] - [ 0.0077490900000000, -0.0010153100000000, -0.0002007500000000 ] - [ 0.0077490900000000, 0.0010153100000000, -0.0002007500000000 ] - [ 0.0070804800000000, 0.0000000000000000, -0.0006051600000000 ] - [ 0.0039559100000000, -0.0002363400000000, -0.0042954000000000 ] - [ 0.0039559100000000, 0.0002363400000000, -0.0042954000000000 ] - [ 0.0045610300000000, 0.0000000000000000, -0.0043053000000000 ] - [ -0.0099792700000000, -0.0007635700000000, -0.0035129200000000 ] - [ -0.0099792700000000, 0.0007635700000000, -0.0035129200000000 ] - [ 0.0048052000000000, 0.0000000000000000, -0.0040261000000000 ] - [ 0.0062688600000000, -0.0001718200000000, 0.0042257700000000 ] - [ 0.0062688600000000, 0.0001718200000000, 0.0042257700000000 ] - [ 0.0066947700000000, 0.0000000000000000, 0.0043649600000000 ] - [ 0.0004218800000000, 0.0000031800000000, 0.0001110800000000 ] - [ 0.0004218800000000, -0.0000031800000000, 0.0001110800000000 ] - [ 0.0004326500000000, 0.0000000000000000, 0.0001147900000000 ] - [ -0.0002456000000000, 0.0000528400000000, 0.0000266400000000 ] - [ -0.0002456000000000, -0.0000528400000000, 0.0000266400000000 ] - [ -0.0002708500000000, 0.0000000000000000, -0.0000189200000000 ] - [ 0.0038367800000000, -0.0119674500000000, -0.0127631500000000 ] - [ 0.0038367800000000, 0.0119674500000000, -0.0127631500000000 ] - [ -0.0003792200000000, 0.0000000000000000, -0.0001430800000000 ] - [ -0.0000987600000000, 0.0000300200000000, 0.0001721300000000 ] - [ -0.0000987600000000, -0.0000300200000000, 0.0001721300000000 ] - [ -0.0000627600000000, 0.0000000000000000, 0.0001225200000000 ] - [ 0.0026940100000000, 0.0106621800000000, 0.0106476400000000 ] - [ 0.0026940100000000, -0.0106621800000000, 0.0106476400000000 ] - [ -0.0006061000000000, 0.0000000000000000, -0.0000092400000000 ] - [ 0.0033424600000000, -0.0146149600000000, 0.0140164200000000 ] - [ 0.0033424600000000, 0.0146149600000000, 0.0140164200000000 ] - [ 0.0000826500000000, 0.0000000000000000, -0.0000763600000000 ] - [ 0.0032274200000000, 0.0114037100000000, -0.0107745700000000 ] - [ 0.0032274200000000, -0.0114037100000000, -0.0107745700000000 ] - [ -0.0006079200000000, 0.0000000000000000, -0.0001757500000000 ] - [ -0.0076408400000000, 0.0000000000000000, -0.0035025500000000 ] - [ -0.0083947700000000, -0.0000014800000000, -0.0031547600000000 ] - [ -0.0083947700000000, 0.0000014800000000, -0.0031547600000000 ] - [ -0.0112135900000000, 0.0000000000000000, 0.0050911800000000 ] - [ -0.0111864600000000, -0.0000224700000000, 0.0051790200000000 ] - [ -0.0111864600000000, 0.0000224700000000, 0.0051790200000000 ] - [ -0.0035128600000000, 0.0000000000000000, 0.0084065200000000 ] - [ -0.0034404500000000, -0.0000343900000000, 0.0085951000000000 ] - [ -0.0034404500000000, 0.0000343900000000, 0.0085951000000000 ] - [ -0.0060642800000000, 0.0000000000000000, 0.0048322900000000 ] - [ -0.0059783900000000, 0.0000061000000000, 0.0048848700000000 ] - [ -0.0059783900000000, -0.0000061000000000, 0.0048848700000000 ] - [ -0.0052475700000000, 0.0000000000000000, 0.0068200300000000 ] - [ -0.0056191900000000, -0.0001049300000000, 0.0056807200000000 ] - [ -0.0056191900000000, 0.0001049300000000, 0.0056807200000000 ] - [ -0.0087469500000000, 0.0000000000000000, 0.0045897100000000 ] - [ -0.0083016100000000, -0.0000631700000000, 0.0047835700000000 ] - [ -0.0083016100000000, 0.0000631700000000, 0.0047835700000000 ] - [ -0.0068072600000000, 0.0000000000000000, 0.0038446000000000 ] - [ -0.0067442500000000, -0.0000231400000000, 0.0036727100000000 ] - [ -0.0067442500000000, 0.0000231400000000, 0.0036727100000000 ] - [ -0.1981544300000000, 0.0000000000000000, 0.0026255600000000 ] - [ -0.0082344300000000, -0.0007590000000000, 0.0044982800000000 ] - [ -0.0082344300000000, 0.0007590000000000, 0.0044982800000000 ] - [ -0.0109151400000000, 0.0000000000000000, -0.0011302100000000 ] - [ -0.0096912600000000, -0.0005956800000000, 0.0025140800000000 ] - [ -0.0096912600000000, 0.0005956800000000, 0.0025140800000000 ] - [ 0.1316784000000000, 0.0000000000000000, 0.0011549600000000 ] - [ -0.0058894900000000, -0.0000283600000000, 0.0051187000000000 ] - [ -0.0058894900000000, 0.0000283600000000, 0.0051187000000000 ]- atom: 142 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005375800000000, -0.0000051900000000, -0.0000638000000000 ] - [ -0.0005375800000000, 0.0000051900000000, -0.0000638000000000 ] - [ -0.0005348300000000, 0.0000000000000000, -0.0000656000000000 ] - [ -0.0000999300000000, -0.0000240400000000, -0.0000119300000000 ] - [ -0.0000999300000000, 0.0000240400000000, -0.0000119300000000 ] - [ -0.0001177600000000, 0.0000000000000000, -0.0000252000000000 ] - [ -0.0001759200000000, -0.0000121800000000, 0.0003615100000000 ] - [ -0.0001759200000000, 0.0000121800000000, 0.0003615100000000 ] - [ -0.0001573000000000, 0.0000000000000000, 0.0003194900000000 ] - [ 0.0044835300000000, -0.0000198900000000, -0.0037169800000000 ] - [ 0.0044835300000000, 0.0000198900000000, -0.0037169800000000 ] - [ 0.0044726500000000, 0.0000000000000000, -0.0037071900000000 ] - [ 0.0096391800000000, 0.0000257400000000, -0.0034591600000000 ] - [ 0.0096391800000000, -0.0000257400000000, -0.0034591600000000 ] - [ 0.0096377100000000, 0.0000000000000000, -0.0034582600000000 ] - [ 0.0013801900000000, 0.0000416100000000, -0.0072100800000000 ] - [ 0.0013801900000000, -0.0000416100000000, -0.0072100800000000 ] - [ 0.0013845900000000, 0.0000000000000000, -0.0072011300000000 ] - [ -0.0008462600000000, 0.0000000000000000, -0.0017391300000000 ] - [ -0.0007277700000000, -0.0000129800000000, -0.0013695800000000 ] - [ -0.0007277700000000, 0.0000129800000000, -0.0013695800000000 ] - [ 0.0020298200000000, 0.0000000000000000, 0.0002935400000000 ] - [ 0.0019864000000000, -0.0000091900000000, 0.0002496300000000 ] - [ 0.0019864000000000, 0.0000091900000000, 0.0002496300000000 ] - [ -0.0003317600000000, 0.0000000000000000, -0.0019680600000000 ] - [ -0.0003162600000000, -0.0000067400000000, -0.0019504100000000 ] - [ -0.0003162600000000, 0.0000067400000000, -0.0019504100000000 ] - [ 0.0018549900000000, 0.0000000000000000, 0.0000940200000000 ] - [ 0.0019370000000000, 0.0000010700000000, 0.0000634300000000 ] - [ 0.0019370000000000, -0.0000010700000000, 0.0000634300000000 ] - [ -0.0001530800000000, 0.0000000000000000, -0.0013946900000000 ] - [ -0.0000538900000000, -0.0000027500000000, -0.0013470300000000 ] - [ -0.0000538900000000, 0.0000027500000000, -0.0013470300000000 ] - [ 0.0025908200000000, 0.0000000000000000, 0.0001290900000000 ] - [ 0.0021464300000000, 0.0005995600000000, -0.0006945300000000 ] - [ 0.0021464300000000, -0.0005995600000000, -0.0006945300000000 ] - [ 0.0005443500000000, 0.0000000000000000, -0.0010021500000000 ] - [ 0.0004263800000000, -0.0000204800000000, -0.0012058400000000 ] - [ 0.0004263800000000, 0.0000204800000000, -0.0012058400000000 ] - [ -0.0167013200000000, 0.0000000000000000, 0.0034960400000000 ] - [ -0.0013260300000000, -0.0002821900000000, -0.0018969700000000 ] - [ -0.0013260300000000, 0.0002821900000000, -0.0018969700000000 ] - [ -0.0318436000000000, 0.0000000000000000, -0.0033744900000000 ] - [ 0.0024468800000000, 0.0000106900000000, 0.0002094200000000 ] - [ 0.0024468800000000, -0.0000106900000000, 0.0002094200000000 ] - [ 0.0154810800000000, 0.0000000000000000, 0.0008115800000000 ] - [ 0.0001677000000000, 0.0001010500000000, -0.0012011300000000 ] - [ 0.0001677000000000, -0.0001010500000000, -0.0012011300000000 ] - [ 0.0027606600000000, 0.0000000000000000, 0.0010844100000000 ] - [ 0.0027138400000000, -0.0005030900000000, 0.0009321900000000 ] - [ 0.0027138400000000, 0.0005030900000000, 0.0009321900000000 ] - [ -0.0172523600000000, 0.0000000000000000, -0.0074259300000000 ] - [ -0.0005564900000000, -0.0001311700000000, -0.0014881200000000 ] - [ -0.0005564900000000, 0.0001311700000000, -0.0014881200000000 ] - [ 0.0022856700000000, 0.0000000000000000, 0.0002750100000000 ] - [ 0.0027413200000000, 0.0009365600000000, 0.0006418900000000 ] - [ 0.0027413200000000, -0.0009365600000000, 0.0006418900000000 ] - [ 0.0136267400000000, 0.0000000000000000, -0.0037633300000000 ] - [ 0.0003850900000000, -0.0000394800000000, -0.0014393800000000 ] - [ 0.0003850900000000, 0.0000394800000000, -0.0014393800000000 ] - [ 0.0014332100000000, 0.0000000000000000, -0.0001901000000000 ] - [ 0.0014072700000000, -0.0000057000000000, -0.0001696300000000 ] - [ 0.0014072700000000, 0.0000057000000000, -0.0001696300000000 ] - [ 0.0007212800000000, 0.0000000000000000, -0.0005113300000000 ] - [ 0.0004966700000000, -0.0000193600000000, -0.0003406200000000 ] - [ 0.0004966700000000, 0.0000193600000000, -0.0003406200000000 ] - [ 0.0028691600000000, 0.0000000000000000, -0.0001942300000000 ] - [ 0.0025720900000000, -0.0002751800000000, -0.0003794900000000 ] - [ 0.0025720900000000, 0.0002751800000000, -0.0003794900000000 ] - [ -0.0004561300000000, 0.0000000000000000, -0.0023925000000000 ] - [ -0.0001975000000000, -0.0000915300000000, -0.0020674700000000 ] - [ -0.0001975000000000, 0.0000915300000000, -0.0020674700000000 ] - [ 0.0257516700000000, 0.0000000000000000, -0.0001185200000000 ] - [ 0.0027477300000000, -0.0003141900000000, 0.0000829100000000 ] - [ 0.0027477300000000, 0.0003141900000000, 0.0000829100000000 ] - [ 0.0023953000000000, 0.0000000000000000, 0.0002557900000000 ] - [ 0.0024248700000000, -0.0000046500000000, 0.0002701800000000 ] - [ 0.0024248700000000, 0.0000046500000000, 0.0002701800000000 ] - [ 0.0047385800000000, -0.0000502600000000, -0.0033929800000000 ] - [ 0.0047385800000000, 0.0000502600000000, -0.0033929800000000 ] - [ 0.0053724600000000, 0.0000000000000000, -0.0034416000000000 ] - [ -0.0121042500000000, -0.0032779700000000, -0.0035694200000000 ] - [ -0.0121042500000000, 0.0032779700000000, -0.0035694200000000 ] - [ 0.0042459300000000, 0.0000000000000000, -0.0033387300000000 ] - [ 0.0049495400000000, 0.0000284800000000, -0.0025630100000000 ] - [ 0.0049495400000000, -0.0000284800000000, -0.0025630100000000 ] - [ 0.0049609800000000, 0.0000000000000000, -0.0025733500000000 ] - [ 0.0060916000000000, 0.0009997600000000, -0.0011370200000000 ] - [ 0.0060916000000000, -0.0009997600000000, -0.0011370200000000 ] - [ 0.0067660300000000, 0.0000000000000000, -0.0007346500000000 ] - [ 0.0054873000000000, 0.0002363000000000, -0.0043583700000000 ] - [ 0.0054873000000000, -0.0002363000000000, -0.0043583700000000 ] - [ 0.0048800900000000, 0.0000000000000000, -0.0043599400000000 ] - [ 0.0204809600000000, 0.0008468500000000, -0.0044808200000000 ] - [ 0.0204809600000000, -0.0008468500000000, -0.0044808200000000 ] - [ 0.0056178800000000, 0.0000000000000000, -0.0039693300000000 ] - [ 0.0074878400000000, 0.0001914000000000, 0.0044948400000000 ] - [ 0.0074878400000000, -0.0001914000000000, 0.0044948400000000 ] - [ 0.0070610000000000, 0.0000000000000000, 0.0043676000000000 ] - [ 0.0004426000000000, -0.0000025700000000, 0.0001089900000000 ] - [ 0.0004426000000000, 0.0000025700000000, 0.0001089900000000 ] - [ 0.0004315000000000, 0.0000000000000000, 0.0001038800000000 ] - [ -0.0003640400000000, -0.0000459400000000, 0.0001573500000000 ] - [ -0.0003640400000000, 0.0000459400000000, 0.0001573500000000 ] - [ -0.0003370800000000, 0.0000000000000000, 0.0001978200000000 ] - [ -0.0046667300000000, 0.0118524200000000, 0.0122810200000000 ] - [ -0.0046667300000000, -0.0118524200000000, 0.0122810200000000 ] - [ -0.0004190000000000, 0.0000000000000000, -0.0001913700000000 ] - [ 0.0000322400000000, -0.0000251200000000, -0.0000721700000000 ] - [ 0.0000322400000000, 0.0000251200000000, -0.0000721700000000 ] - [ -0.0000049800000000, 0.0000000000000000, -0.0000252600000000 ] - [ -0.0037934500000000, -0.0108111900000000, -0.0107361000000000 ] - [ -0.0037934500000000, 0.0108111900000000, -0.0107361000000000 ] - [ -0.0005497900000000, 0.0000000000000000, 0.0000867400000000 ] - [ -0.0031877900000000, 0.0144504200000000, -0.0138233200000000 ] - [ -0.0031877900000000, -0.0144504200000000, -0.0138233200000000 ] - [ 0.0000946000000000, 0.0000000000000000, 0.0001211400000000 ] - [ -0.0043966200000000, -0.0115835400000000, 0.0106042200000000 ] - [ -0.0043966200000000, 0.0115835400000000, 0.0106042200000000 ] - [ -0.0006003900000000, 0.0000000000000000, -0.0001543300000000 ] - [ -0.0112783600000000, 0.0000000000000000, -0.0029927700000000 ] - [ -0.0104784800000000, 0.0000188600000000, -0.0034493400000000 ] - [ -0.0104784800000000, -0.0000188600000000, -0.0034493400000000 ] - [ -0.0111596900000000, 0.0000000000000000, 0.0052924200000000 ] - [ -0.0111763200000000, 0.0000226000000000, 0.0052012000000000 ] - [ -0.0111763200000000, -0.0000226000000000, 0.0052012000000000 ] - [ -0.0034132600000000, 0.0000000000000000, 0.0086006400000000 ] - [ -0.0034826800000000, 0.0000350700000000, 0.0084060300000000 ] - [ -0.0034826800000000, -0.0000350700000000, 0.0084060300000000 ] - [ -0.0058801400000000, 0.0000000000000000, 0.0050174000000000 ] - [ -0.0059565800000000, -0.0000106600000000, 0.0049579300000000 ] - [ -0.0059565800000000, 0.0000106600000000, 0.0049579300000000 ] - [ -0.0075825400000000, 0.0000000000000000, 0.0046259600000000 ] - [ -0.0071739700000000, 0.0001053300000000, 0.0058358300000000 ] - [ -0.0071739700000000, -0.0001053300000000, 0.0058358300000000 ] - [ -0.0062700100000000, 0.0000000000000000, 0.0052190200000000 ] - [ -0.0067442100000000, 0.0000420600000000, 0.0047794000000000 ] - [ -0.0067442100000000, -0.0000420600000000, 0.0047794000000000 ] - [ -0.0067066800000000, 0.0000000000000000, 0.0034495900000000 ] - [ -0.0067689500000000, 0.0000227000000000, 0.0036078200000000 ] - [ -0.0067689500000000, -0.0000227000000000, 0.0036078200000000 ] - [ 0.1790523600000000, 0.0000000000000000, 0.0057439200000000 ] - [ -0.0056646900000000, 0.0005855300000000, 0.0044533700000000 ] - [ -0.0056646900000000, -0.0005855300000000, 0.0044533700000000 ] - [ -0.0066174200000000, 0.0000000000000000, 0.0060357700000000 ] - [ -0.0078378100000000, 0.0005938000000000, 0.0024834500000000 ] - [ -0.0078378100000000, -0.0005938000000000, 0.0024834500000000 ] - [ -0.1468906200000000, 0.0000000000000000, 0.0091698300000000 ] - [ -0.0081343600000000, 0.0001194200000000, 0.0051733400000000 ] - [ -0.0081343600000000, -0.0001194200000000, 0.0051733400000000 ]- atom: 142 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005388700000000, -0.0000890700000000, -0.0000609600000000 ] - [ -0.0005316700000000, -0.0000897300000000, -0.0000671700000000 ] - [ -0.0005353700000000, 0.0001747900000000, -0.0000649700000000 ] - [ -0.0001614900000000, -0.0002774400000000, -0.0002529600000000 ] - [ -0.0001057900000000, -0.0002793200000000, 0.0003694200000000 ] - [ -0.0001328800000000, 0.0005527900000000, 0.0000603500000000 ] - [ -0.0001378900000000, -0.0002603600000000, -0.0000047900000000 ] - [ -0.0001711900000000, -0.0002618100000000, 0.0006256700000000 ] - [ -0.0001553900000000, 0.0005173000000000, 0.0003119200000000 ] - [ 0.0045011500000000, 0.0003827500000000, -0.0038493400000000 ] - [ 0.0044727500000000, 0.0003858500000000, -0.0035543300000000 ] - [ 0.0044871200000000, -0.0009410000000000, -0.0037015700000000 ] - [ 0.0096453500000000, 0.0004381100000000, -0.0033746700000000 ] - [ 0.0096274100000000, 0.0004390300000000, -0.0035155900000000 ] - [ 0.0096363900000000, -0.0009949900000000, -0.0034452500000000 ] - [ 0.0013861700000000, 0.0004304100000000, -0.0071421300000000 ] - [ 0.0013721000000000, 0.0004338200000000, -0.0072889900000000 ] - [ 0.0013789500000000, -0.0008689300000000, -0.0072159800000000 ] - [ -0.0006434600000000, 0.0009094900000000, -0.0013085500000000 ] - [ -0.0005506400000000, -0.0006529200000000, 0.0010894400000000 ] - [ -0.0007423300000000, -0.0006651600000000, -0.0036988400000000 ] - [ 0.0019716300000000, 0.0002113900000000, 0.0002547800000000 ] - [ 0.0019248100000000, -0.0001083000000000, 0.0004594800000000 ] - [ 0.0020156000000000, -0.0001094900000000, 0.0000530800000000 ] - [ -0.0003185900000000, 0.0001786100000000, -0.0019809300000000 ] - [ -0.0003557600000000, -0.0000906700000000, -0.0020520500000000 ] - [ -0.0002822000000000, -0.0000914800000000, -0.0019103800000000 ] - [ 0.0019471500000000, 0.0002719300000000, 0.0000533200000000 ] - [ 0.0019862700000000, -0.0001293800000000, 0.0002830300000000 ] - [ 0.0019070000000000, -0.0001309400000000, -0.0001737400000000 ] - [ -0.0000468700000000, 0.0000992900000000, -0.0013325400000000 ] - [ 0.0000590200000000, -0.0001566500000000, -0.0014063900000000 ] - [ -0.0001587500000000, -0.0001579200000000, -0.0012544800000000 ] - [ 0.0022974800000000, 0.0020231300000000, -0.0001061900000000 ] - [ 0.0014107300000000, -0.0009894400000000, 0.0016015700000000 ] - [ 0.0031520700000000, -0.0009968200000000, -0.0017758900000000 ] - [ 0.0003444000000000, 0.0006396700000000, -0.0012418800000000 ] - [ 0.0003719200000000, -0.0003221800000000, 0.0002587800000000 ] - [ 0.0003163300000000, -0.0003244600000000, -0.0027198800000000 ] - [ -0.0004749700000000, 0.0178009900000000, -0.0022301600000000 ] - [ 0.0002662000000000, -0.0091807900000000, -0.0164539000000000 ] - [ -0.0012722400000000, -0.0091077300000000, 0.0124963700000000 ] - [ 0.0021795200000000, 0.0207754300000000, 0.0005219600000000 ] - [ -0.0101619300000000, -0.0101411100000000, -0.0003083300000000 ] - [ 0.0150936100000000, -0.0100801800000000, 0.0013888500000000 ] - [ -0.0004694800000000, 0.0030679300000000, -0.0011796500000000 ] - [ -0.0006568800000000, -0.0014762400000000, 0.0019178200000000 ] - [ -0.0002967600000000, -0.0014869900000000, -0.0042148200000000 ] - [ 0.0025946000000000, 0.0019822900000000, 0.0004315000000000 ] - [ 0.0035126200000000, -0.0009641400000000, 0.0020301700000000 ] - [ 0.0016976700000000, -0.0009697800000000, -0.0011353900000000 ] - [ 0.0001371100000000, 0.0189424300000000, -0.0011778700000000 ] - [ 0.0004134500000000, -0.0096521400000000, 0.0134914200000000 ] - [ -0.0001486500000000, -0.0095802900000000, -0.0164604400000000 ] - [ 0.0029473600000000, 0.0023814700000000, -0.0003440700000000 ] - [ 0.0019340200000000, -0.0011802900000000, -0.0018363600000000 ] - [ 0.0039348500000000, -0.0011862300000000, 0.0011258700000000 ] - [ -0.0002758400000000, 0.0031583900000000, -0.0013917600000000 ] - [ -0.0003915400000000, -0.0015357500000000, -0.0042554600000000 ] - [ -0.0001691700000000, -0.0015423100000000, 0.0014199500000000 ] - [ 0.0014153700000000, 0.0001240600000000, -0.0001827800000000 ] - [ 0.0013433300000000, -0.0000622500000000, -0.0003867300000000 ] - [ 0.0014883700000000, -0.0000626300000000, 0.0000200000000000 ] - [ 0.0004191000000000, 0.0005044400000000, -0.0004533500000000 ] - [ 0.0004341600000000, -0.0002557100000000, -0.0021021400000000 ] - [ 0.0004034200000000, -0.0002568000000000, 0.0011784000000000 ] - [ 0.0023483600000000, 0.0015526100000000, -0.0001624600000000 ] - [ 0.0030424400000000, -0.0007582100000000, -0.0014451900000000 ] - [ 0.0016592800000000, -0.0007612800000000, 0.0011040500000000 ] - [ -0.0001217700000000, 0.0008318300000000, -0.0020678500000000 ] - [ -0.0001267000000000, -0.0005703900000000, -0.0043125400000000 ] - [ -0.0001239500000000, -0.0005781900000000, 0.0001782600000000 ] - [ 0.0027200700000000, 0.0174174200000000, 0.0001948100000000 ] - [ 0.0144876400000000, -0.0092121600000000, 0.0002062100000000 ] - [ -0.0095358200000000, -0.0091533400000000, 0.0001704400000000 ] - [ 0.0024141600000000, 0.0001671700000000, 0.0002612200000000 ] - [ 0.0024709800000000, -0.0000816500000000, 0.0000323700000000 ] - [ 0.0023550800000000, -0.0000823000000000, 0.0004881000000000 ] - [ 0.0057119600000000, 0.0030233900000000, -0.0055891300000000 ] - [ 0.0053375700000000, 0.0031036500000000, -0.0013893500000000 ] - [ 0.0055260100000000, -0.0069437300000000, -0.0034588400000000 ] - [ 0.0055693400000000, 0.0113420000000000, -0.0039290500000000 ] - [ 0.0035893500000000, 0.0163749600000000, -0.0027689700000000 ] - [ 0.0046459500000000, -0.0305785700000000, -0.0034005600000000 ] - [ 0.0049652800000000, 0.0003885100000000, -0.0027080800000000 ] - [ 0.0049290000000000, 0.0003920000000000, -0.0024536100000000 ] - [ 0.0049473600000000, -0.0007869100000000, -0.0025800000000000 ] - [ 0.0071234300000000, 0.0036018400000000, 0.0012228400000000 ] - [ 0.0067212400000000, 0.0036623300000000, -0.0025459700000000 ] - [ 0.0069217700000000, -0.0079728600000000, -0.0006824200000000 ] - [ 0.0048399200000000, 0.0015809200000000, -0.0060276400000000 ] - [ 0.0046003400000000, 0.0015998300000000, -0.0026314300000000 ] - [ 0.0047198700000000, -0.0031818400000000, -0.0043313200000000 ] - [ 0.0059273000000000, 0.0056699200000000, -0.0042802000000000 ] - [ 0.0045091900000000, 0.0057879900000000, -0.0037102500000000 ] - [ 0.0052069300000000, -0.0126969700000000, -0.0039971200000000 ] - [ 0.0069966600000000, 0.0018178900000000, 0.0057895700000000 ] - [ 0.0067586200000000, 0.0018328400000000, 0.0029355500000000 ] - [ 0.0068775300000000, -0.0036441900000000, 0.0043645100000000 ] - [ 0.0004425200000000, -0.0001904300000000, 0.0001145500000000 ] - [ 0.0004207100000000, -0.0001913100000000, 0.0001042900000000 ] - [ 0.0004320200000000, 0.0003881000000000, 0.0001094700000000 ] - [ -0.0003787500000000, -0.0005756600000000, 0.0007141100000000 ] - [ -0.0002320900000000, -0.0005810900000000, -0.0005303300000000 ] - [ -0.0003034800000000, 0.0011536000000000, 0.0000878200000000 ] - [ -0.0127962600000000, 0.0008297700000000, 0.0127675200000000 ] - [ 0.0121310800000000, 0.0007710300000000, -0.0132315600000000 ] - [ -0.0003909800000000, 0.0060334900000000, -0.0001789900000000 ] - [ 0.0000500500000000, -0.0005359500000000, 0.0007074600000000 ] - [ -0.0001159200000000, -0.0005414300000000, -0.0006045900000000 ] - [ -0.0000348100000000, 0.0010726900000000, 0.0000469900000000 ] - [ 0.0118327500000000, 0.0007837000000000, 0.0135578700000000 ] - [ -0.0131232900000000, 0.0007436200000000, -0.0136402300000000 ] - [ -0.0005864700000000, 0.0057672300000000, 0.0000294000000000 ] - [ -0.0133329200000000, 0.0013107200000000, -0.0145069700000000 ] - [ 0.0136758900000000, 0.0012677000000000, 0.0147035700000000 ] - [ 0.0000950100000000, 0.0060467500000000, 0.0000359000000000 ] - [ 0.0129757100000000, 0.0010940500000000, -0.0141801700000000 ] - [ -0.0143608800000000, 0.0010728500000000, 0.0140151400000000 ] - [ -0.0006130800000000, 0.0055948600000000, -0.0001573300000000 ] - [ -0.0094423700000000, -0.0051074300000000, -0.0033215900000000 ] - [ -0.0095491500000000, 0.0025808000000000, 0.0003270000000000 ] - [ -0.0093276400000000, 0.0025872500000000, -0.0069252200000000 ] - [ -0.0111852100000000, -0.0006555300000000, 0.0051900200000000 ] - [ -0.0113319800000000, 0.0004742500000000, 0.0064359400000000 ] - [ -0.0110309900000000, 0.0004756600000000, 0.0039466300000000 ] - [ -0.0034630600000000, -0.0007603800000000, 0.0084946800000000 ] - [ -0.0033166300000000, 0.0003796900000000, 0.0095527400000000 ] - [ -0.0036077400000000, 0.0003821700000000, 0.0074473200000000 ] - [ -0.0059730500000000, -0.0005594800000000, 0.0049232900000000 ] - [ -0.0060604900000000, 0.0004376800000000, 0.0039708900000000 ] - [ -0.0058770200000000, 0.0004412300000000, 0.0058717600000000 ] - [ -0.0063995900000000, -0.0042515700000000, 0.0057822000000000 ] - [ -0.0064794800000000, 0.0021462500000000, 0.0025742400000000 ] - [ -0.0063135200000000, 0.0021567200000000, 0.0089383700000000 ] - [ -0.0075280200000000, -0.0062904900000000, 0.0048972000000000 ] - [ -0.0075416100000000, 0.0033067100000000, -0.0061192500000000 ] - [ -0.0075045700000000, 0.0033662400000000, 0.0156260600000000 ] - [ -0.0067568200000000, -0.0006753600000000, 0.0036461800000000 ] - [ -0.0067175500000000, 0.0003387200000000, 0.0028575000000000 ] - [ -0.0067960900000000, 0.0003401400000000, 0.0044216300000000 ] - [ -0.0068311100000000, -0.1852337800000000, 0.0042881300000000 ] - [ -0.0062879800000000, 0.0801620300000000, 0.0036001900000000 ] - [ -0.0076327400000000, 0.0795893100000000, 0.0053485400000000 ] - [ -0.0087684700000000, -0.0070180900000000, 0.0024360400000000 ] - [ -0.0078130900000000, 0.0036985100000000, 0.0132206200000000 ] - [ -0.0097059600000000, 0.0037466200000000, -0.0081510800000000 ] - [ -0.0070597800000000, -0.0116323000000000, 0.0051541600000000 ] - [ -0.0074461900000000, 0.0059526400000000, 0.0047818300000000 ] - [ -0.0065932600000000, 0.0060469700000000, 0.0055145500000000 ]- atom: 142 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005525400000000, -0.0000059800000000, 0.0014763800000000 ] - [ -0.0005525400000000, 0.0000059800000000, 0.0014763800000000 ] - [ -0.0005497000000000, 0.0000000000000000, 0.0011849400000000 ] - [ 0.0005348200000000, -0.0010494000000000, 0.0017494800000000 ] - [ 0.0005348200000000, 0.0010494000000000, 0.0017494800000000 ] - [ 0.0000956700000000, 0.0000000000000000, 0.0008336700000000 ] - [ -0.0007348100000000, -0.0009138200000000, 0.0021324000000000 ] - [ -0.0007348100000000, 0.0009138200000000, 0.0021324000000000 ] - [ -0.0003549400000000, 0.0000000000000000, 0.0012025900000000 ] - [ 0.0042405900000000, -0.0013720100000000, -0.0064753200000000 ] - [ 0.0042405900000000, 0.0013720100000000, -0.0064753200000000 ] - [ 0.0042234500000000, 0.0000000000000000, -0.0057542900000000 ] - [ 0.0100252100000000, 0.0015049000000000, -0.0059125900000000 ] - [ 0.0100252100000000, -0.0015049000000000, -0.0059125900000000 ] - [ 0.0100078800000000, 0.0000000000000000, -0.0054312700000000 ] - [ 0.0011157700000000, 0.0010394800000000, -0.0090684300000000 ] - [ 0.0011157700000000, -0.0010394800000000, -0.0090684300000000 ] - [ 0.0011635700000000, 0.0000000000000000, -0.0087124600000000 ] - [ -0.0010016900000000, 0.0000000000000000, -0.0185058200000000 ] - [ -0.0005474300000000, 0.0018912200000000, -0.0057032600000000 ] - [ -0.0005474300000000, -0.0018912200000000, -0.0057032600000000 ] - [ 0.0023436900000000, 0.0000000000000000, -0.0024546500000000 ] - [ 0.0020972700000000, 0.0003194300000000, -0.0012351500000000 ] - [ 0.0020972700000000, -0.0003194300000000, -0.0012351500000000 ] - [ -0.0005253300000000, 0.0000000000000000, -0.0102947400000000 ] - [ -0.0004373900000000, -0.0000011100000000, -0.0077348200000000 ] - [ -0.0004373900000000, 0.0000011100000000, -0.0077348200000000 ] - [ 0.0012578800000000, 0.0000000000000000, -0.0032400700000000 ] - [ 0.0015752000000000, 0.0003758800000000, -0.0018034300000000 ] - [ 0.0015752000000000, -0.0003758800000000, -0.0018034300000000 ] - [ -0.0002333500000000, 0.0000000000000000, -0.0116595700000000 ] - [ -0.0001037100000000, -0.0000120200000000, -0.0078533300000000 ] - [ -0.0001037100000000, 0.0000120200000000, -0.0078533300000000 ] - [ 0.0160331200000000, 0.0000000000000000, -0.0082411600000000 ] - [ 0.0035664400000000, 0.0017664200000000, 0.0003797600000000 ] - [ 0.0035664400000000, -0.0017664200000000, 0.0003797600000000 ] - [ 0.0009748400000000, 0.0000000000000000, -0.0086063300000000 ] - [ 0.0005440000000000, 0.0006404900000000, -0.0037496500000000 ] - [ 0.0005440000000000, -0.0006404900000000, -0.0037496500000000 ] - [ -0.0031970700000000, 0.0000000000000000, 0.0028983200000000 ] - [ -0.0008185100000000, -0.0021742500000000, 0.0060925700000000 ] - [ -0.0008185100000000, 0.0021742500000000, 0.0060925700000000 ] - [ 0.0044422800000000, 0.0000000000000000, 0.0247982800000000 ] - [ 0.0023241400000000, -0.0003448200000000, 0.0041659900000000 ] - [ 0.0023241400000000, 0.0003448200000000, 0.0041659900000000 ] - [ -0.0002999600000000, 0.0000000000000000, 0.0105112200000000 ] - [ -0.0001286800000000, 0.0016480100000000, 0.0050933000000000 ] - [ -0.0001286800000000, -0.0016480100000000, 0.0050933000000000 ] - [ -0.0095689800000000, 0.0000000000000000, -0.0066735600000000 ] - [ 0.0014315000000000, 0.0017555300000000, 0.0007407600000000 ] - [ 0.0014315000000000, -0.0017555300000000, 0.0007407600000000 ] - [ 0.0000830400000000, 0.0000000000000000, 0.0505534300000000 ] - [ 0.0002885700000000, 0.0015454700000000, 0.0070198800000000 ] - [ 0.0002885700000000, -0.0015454700000000, 0.0070198800000000 ] - [ -0.0126532100000000, 0.0000000000000000, -0.0065934700000000 ] - [ 0.0012962400000000, -0.0017551000000000, -0.0000586100000000 ] - [ 0.0012962400000000, 0.0017551000000000, -0.0000586100000000 ] - [ -0.0006590700000000, 0.0000000000000000, 0.0086907600000000 ] - [ 0.0000775300000000, -0.0014917200000000, 0.0036909700000000 ] - [ 0.0000775300000000, 0.0014917200000000, 0.0036909700000000 ] - [ 0.0003259500000000, 0.0000000000000000, -0.0029151400000000 ] - [ 0.0008557700000000, -0.0001602300000000, -0.0017131600000000 ] - [ 0.0008557700000000, 0.0001602300000000, -0.0017131600000000 ] - [ -0.0006910400000000, 0.0000000000000000, -0.0094191000000000 ] - [ 0.0001149500000000, -0.0004215400000000, -0.0043387100000000 ] - [ 0.0001149500000000, 0.0004215400000000, -0.0043387100000000 ] - [ 0.0130791000000000, 0.0000000000000000, -0.0060806000000000 ] - [ 0.0038033800000000, -0.0015142600000000, -0.0001458600000000 ] - [ 0.0038033800000000, 0.0015142600000000, -0.0001458600000000 ] - [ -0.0004814400000000, 0.0000000000000000, -0.0207371000000000 ] - [ -0.0000927700000000, -0.0015339400000000, -0.0083471800000000 ] - [ -0.0000927700000000, 0.0015339400000000, -0.0083471800000000 ] - [ -0.0015575600000000, 0.0000000000000000, 0.0200705300000000 ] - [ 0.0028022600000000, -0.0000913400000000, 0.0038413800000000 ] - [ 0.0028022600000000, 0.0000913400000000, 0.0038413800000000 ] - [ 0.0032986000000000, 0.0000000000000000, -0.0026755600000000 ] - [ 0.0028779400000000, -0.0002167000000000, -0.0013647400000000 ] - [ 0.0028779400000000, 0.0002167000000000, -0.0013647400000000 ] - [ 0.0051227400000000, -0.0160627400000000, -0.0112244100000000 ] - [ 0.0051227400000000, 0.0160627400000000, -0.0112244100000000 ] - [ 0.0051889300000000, 0.0000000000000000, -0.0026863800000000 ] - [ 0.0045921500000000, -0.0019542700000000, 0.0179041000000000 ] - [ 0.0045921500000000, 0.0019542700000000, 0.0179041000000000 ] - [ 0.0046335000000000, 0.0000000000000000, 0.0003382500000000 ] - [ 0.0051947300000000, -0.0009340300000000, -0.0047099800000000 ] - [ 0.0051947300000000, 0.0009340300000000, -0.0047099800000000 ] - [ 0.0051120800000000, 0.0000000000000000, -0.0041090500000000 ] - [ 0.0067183800000000, 0.0180349500000000, -0.0075754200000000 ] - [ 0.0067183800000000, -0.0180349500000000, -0.0075754200000000 ] - [ 0.0071754200000000, 0.0000000000000000, -0.0004426500000000 ] - [ 0.0049502800000000, -0.0038194100000000, -0.0042821000000000 ] - [ 0.0049502800000000, 0.0038194100000000, -0.0042821000000000 ] - [ 0.0047080000000000, 0.0000000000000000, -0.0036538700000000 ] - [ 0.0045042300000000, 0.0001031800000000, 0.0008830300000000 ] - [ 0.0045042300000000, -0.0001031800000000, 0.0008830300000000 ] - [ 0.0051339700000000, 0.0000000000000000, -0.0013462000000000 ] - [ 0.0065410500000000, 0.0042481800000000, 0.0044055700000000 ] - [ 0.0065410500000000, -0.0042481800000000, 0.0044055700000000 ] - [ 0.0068225500000000, 0.0000000000000000, 0.0047446200000000 ] - [ 0.0004652900000000, 0.0000137800000000, 0.0031287800000000 ] - [ 0.0004652900000000, -0.0000137800000000, 0.0031287800000000 ] - [ 0.0004524900000000, 0.0000000000000000, 0.0025490200000000 ] - [ -0.0016198900000000, 0.0022716900000000, 0.0034196700000000 ] - [ -0.0016198900000000, -0.0022716900000000, 0.0034196700000000 ] - [ -0.0007674700000000, 0.0000000000000000, 0.0014097900000000 ] - [ -0.0139502600000000, 0.0139033700000000, -0.0020106600000000 ] - [ -0.0139502600000000, -0.0139033700000000, -0.0020106600000000 ] - [ -0.0004965100000000, 0.0000000000000000, -0.0031658200000000 ] - [ 0.0012849100000000, 0.0019204900000000, 0.0033897400000000 ] - [ 0.0012849100000000, -0.0019204900000000, 0.0033897400000000 ] - [ 0.0004085800000000, 0.0000000000000000, 0.0014318100000000 ] - [ 0.0129338100000000, 0.0148083000000000, -0.0012269200000000 ] - [ 0.0129338100000000, -0.0148083000000000, -0.0012269200000000 ] - [ -0.0004989400000000, 0.0000000000000000, -0.0029197000000000 ] - [ 0.0127004400000000, -0.0141721000000000, -0.0009601400000000 ] - [ 0.0127004400000000, 0.0141721000000000, -0.0009601400000000 ] - [ 0.0004488000000000, 0.0000000000000000, -0.0031828800000000 ] - [ -0.0139008800000000, -0.0146268800000000, -0.0021720300000000 ] - [ -0.0139008800000000, 0.0146268800000000, -0.0021720300000000 ] - [ -0.0010719200000000, 0.0000000000000000, -0.0030328800000000 ] - [ -0.0079261400000000, 0.0000000000000000, -0.0025339100000000 ] - [ -0.0093617800000000, 0.0038988100000000, -0.0034306900000000 ] - [ -0.0093617800000000, -0.0038988100000000, -0.0034306900000000 ] - [ -0.0127929000000000, 0.0000000000000000, 0.0221217400000000 ] - [ -0.0120304400000000, 0.0012113100000000, 0.0144816900000000 ] - [ -0.0120304400000000, -0.0012113100000000, 0.0144816900000000 ] - [ -0.0017591200000000, 0.0000000000000000, 0.0206841500000000 ] - [ -0.0025664900000000, 0.0009092200000000, 0.0157342600000000 ] - [ -0.0025664900000000, -0.0009092200000000, 0.0157342600000000 ] - [ -0.0046235100000000, 0.0000000000000000, 0.0180117000000000 ] - [ -0.0052637400000000, -0.0010779900000000, 0.0118993500000000 ] - [ -0.0052637400000000, 0.0010779900000000, 0.0118993500000000 ] - [ -0.0065003600000000, 0.0000000000000000, 0.0044822400000000 ] - [ -0.0062622000000000, -0.0033879800000000, 0.0044093900000000 ] - [ -0.0062622000000000, 0.0033879800000000, 0.0044093900000000 ] - [ -0.0090662800000000, 0.0000000000000000, 0.0752667800000000 ] - [ -0.0078598900000000, -0.0110385900000000, 0.0029579000000000 ] - [ -0.0078598900000000, 0.0110385900000000, 0.0029579000000000 ] - [ -0.0073080700000000, 0.0000000000000000, 0.0136426000000000 ] - [ -0.0070890800000000, -0.0008611200000000, 0.0092896700000000 ] - [ -0.0070890800000000, 0.0008611200000000, 0.0092896700000000 ] - [ -0.0080844500000000, 0.0000000000000000, -0.2073306500000000 ] - [ -0.0069339300000000, 0.0007944400000000, -0.0082577200000000 ] - [ -0.0069339300000000, -0.0007944400000000, -0.0082577200000000 ] - [ -0.0006478900000000, 0.0000000000000000, 0.0714848400000000 ] - [ -0.0084446000000000, 0.0122705900000000, 0.0018900600000000 ] - [ -0.0084446000000000, -0.0122705900000000, 0.0018900600000000 ] - [ -0.0012755400000000, 0.0000000000000000, -0.0129299200000000 ] - [ -0.0072911000000000, 0.0001666700000000, -0.0046130200000000 ] - [ -0.0072911000000000, -0.0001666700000000, -0.0046130200000000 ]- atom: 142 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005182700000000, 0.0000056300000000, -0.0016018800000000 ] - [ -0.0005182700000000, -0.0000056300000000, -0.0016018800000000 ] - [ -0.0005208500000000, 0.0000000000000000, -0.0013097900000000 ] - [ -0.0007957000000000, 0.0010436300000000, -0.0016237700000000 ] - [ -0.0007957000000000, -0.0010436300000000, -0.0016237700000000 ] - [ -0.0003607300000000, 0.0000000000000000, -0.0007162600000000 ] - [ 0.0004197100000000, 0.0009084300000000, -0.0015019200000000 ] - [ 0.0004197100000000, -0.0009084300000000, -0.0015019200000000 ] - [ 0.0000441400000000, 0.0000000000000000, -0.0005816300000000 ] - [ 0.0047327500000000, 0.0013680600000000, -0.0009315200000000 ] - [ 0.0047327500000000, -0.0013680600000000, -0.0009315200000000 ] - [ 0.0047505900000000, 0.0000000000000000, -0.0016527800000000 ] - [ 0.0092483000000000, -0.0014993800000000, -0.0009854600000000 ] - [ 0.0092483000000000, 0.0014993800000000, -0.0009854600000000 ] - [ 0.0092660900000000, 0.0000000000000000, -0.0014651900000000 ] - [ 0.0016422300000000, -0.0010343500000000, -0.0053666900000000 ] - [ 0.0016422300000000, 0.0010343500000000, -0.0053666900000000 ] - [ 0.0015943900000000, 0.0000000000000000, -0.0057208000000000 ] - [ -0.0002927300000000, 0.0000000000000000, 0.0158259800000000 ] - [ -0.0007462700000000, -0.0018939900000000, 0.0030771200000000 ] - [ -0.0007462700000000, 0.0018939900000000, 0.0030771200000000 ] - [ 0.0016056600000000, 0.0000000000000000, 0.0029602500000000 ] - [ 0.0018451100000000, -0.0003194600000000, 0.0017439300000000 ] - [ 0.0018451100000000, 0.0003194600000000, 0.0017439300000000 ] - [ -0.0001111700000000, 0.0000000000000000, 0.0063131400000000 ] - [ -0.0002004100000000, 0.0000006500000000, 0.0037623100000000 ] - [ -0.0002004100000000, -0.0000006500000000, 0.0037623100000000 ] - [ 0.0026365500000000, 0.0000000000000000, 0.0033418400000000 ] - [ 0.0023189100000000, -0.0003761100000000, 0.0019088500000000 ] - [ 0.0023189100000000, 0.0003761100000000, 0.0019088500000000 ] - [ 0.0001318700000000, 0.0000000000000000, 0.0089706000000000 ] - [ 0.0000035900000000, 0.0000117100000000, 0.0051774300000000 ] - [ 0.0000035900000000, -0.0000117100000000, 0.0051774300000000 ] - [ -0.0114651800000000, 0.0000000000000000, 0.0080928500000000 ] - [ 0.0009982800000000, -0.0017695000000000, -0.0005676400000000 ] - [ 0.0009982800000000, 0.0017695000000000, -0.0005676400000000 ] - [ -0.0002829800000000, 0.0000000000000000, 0.0061112100000000 ] - [ 0.0001435700000000, -0.0006403500000000, 0.0012715400000000 ] - [ 0.0001435700000000, 0.0006403500000000, 0.0012715400000000 ] - [ 0.0017709200000000, 0.0000000000000000, -0.0028880600000000 ] - [ -0.0001977000000000, 0.0021789500000000, -0.0099171400000000 ] - [ -0.0001977000000000, -0.0021789500000000, -0.0099171400000000 ] - [ -0.0000252500000000, 0.0000000000000000, -0.0238854000000000 ] - [ 0.0026655300000000, 0.0003603400000000, -0.0030722400000000 ] - [ 0.0026655300000000, -0.0003603400000000, -0.0030722400000000 ] - [ -0.0006170800000000, 0.0000000000000000, -0.0129173100000000 ] - [ -0.0008268100000000, -0.0016539200000000, -0.0074094200000000 ] - [ -0.0008268100000000, 0.0016539200000000, -0.0074094200000000 ] - [ 0.0148318300000000, 0.0000000000000000, 0.0075883600000000 ] - [ 0.0037771600000000, -0.0017601200000000, 0.0001414400000000 ] - [ 0.0037771600000000, 0.0017601200000000, 0.0001414400000000 ] - [ 0.0000693500000000, 0.0000000000000000, -0.0609176200000000 ] - [ -0.0000258000000000, -0.0015096800000000, -0.0100843100000000 ] - [ -0.0000258000000000, 0.0015096800000000, -0.0100843100000000 ] - [ 0.0184226400000000, 0.0000000000000000, 0.0058226900000000 ] - [ 0.0045717000000000, 0.0017453900000000, -0.0006346600000000 ] - [ 0.0045717000000000, -0.0017453900000000, -0.0006346600000000 ] - [ 0.0001146000000000, 0.0000000000000000, -0.0114223000000000 ] - [ -0.0006347800000000, 0.0014813300000000, -0.0064922100000000 ] - [ -0.0006347800000000, -0.0014813300000000, -0.0064922100000000 ] - [ 0.0025042000000000, 0.0000000000000000, 0.0025406500000000 ] - [ 0.0019739900000000, 0.0001594300000000, 0.0013448900000000 ] - [ 0.0019739900000000, -0.0001594300000000, 0.0013448900000000 ] - [ 0.0015232300000000, 0.0000000000000000, 0.0084768900000000 ] - [ 0.0007211700000000, 0.0004191700000000, 0.0034220100000000 ] - [ 0.0007211700000000, -0.0004191700000000, 0.0034220100000000 ] - [ -0.0082896500000000, 0.0000000000000000, 0.0056857100000000 ] - [ 0.0009005500000000, 0.0015022300000000, -0.0001823500000000 ] - [ 0.0009005500000000, -0.0015022300000000, -0.0001823500000000 ] - [ 0.0002232400000000, 0.0000000000000000, 0.0165800300000000 ] - [ -0.0001584700000000, 0.0015205900000000, 0.0042048400000000 ] - [ -0.0001584700000000, -0.0015205900000000, 0.0042048400000000 ] - [ 0.0070612900000000, 0.0000000000000000, -0.0197919900000000 ] - [ 0.0020452500000000, 0.0001032600000000, -0.0034582000000000 ] - [ 0.0020452500000000, -0.0001032600000000, -0.0034582000000000 ] - [ 0.0015314400000000, 0.0000000000000000, 0.0031858300000000 ] - [ 0.0019507000000000, 0.0002155400000000, 0.0018832000000000 ] - [ 0.0019507000000000, -0.0002155400000000, 0.0018832000000000 ] - [ 0.0059302000000000, 0.0160714400000000, 0.0043331200000000 ] - [ 0.0059302000000000, -0.0160714400000000, 0.0043331200000000 ] - [ 0.0058637900000000, 0.0000000000000000, -0.0042684900000000 ] - [ 0.0047086200000000, 0.0025400500000000, -0.0248298200000000 ] - [ 0.0047086200000000, -0.0025400500000000, -0.0248298200000000 ] - [ 0.0046692700000000, 0.0000000000000000, -0.0071507600000000 ] - [ 0.0046999800000000, 0.0009318500000000, -0.0004544100000000 ] - [ 0.0046999800000000, -0.0009318500000000, -0.0004544100000000 ] - [ 0.0047821900000000, 0.0000000000000000, -0.0010555900000000 ] - [ 0.0071236700000000, -0.0179168700000000, 0.0061429100000000 ] - [ 0.0071236700000000, 0.0179168700000000, 0.0061429100000000 ] - [ 0.0066720200000000, 0.0000000000000000, -0.0008902000000000 ] - [ 0.0044906300000000, 0.0038153000000000, -0.0043903100000000 ] - [ 0.0044906300000000, -0.0038153000000000, -0.0043903100000000 ] - [ 0.0047321700000000, 0.0000000000000000, -0.0050160200000000 ] - [ 0.0059166100000000, -0.0001508600000000, -0.0088624100000000 ] - [ 0.0059166100000000, 0.0001508600000000, -0.0088624100000000 ] - [ 0.0052728600000000, 0.0000000000000000, -0.0066445900000000 ] - [ 0.0072140800000000, -0.0042242300000000, 0.0043335400000000 ] - [ 0.0072140800000000, 0.0042242300000000, 0.0043335400000000 ] - [ 0.0069325400000000, 0.0000000000000000, 0.0039926000000000 ] - [ 0.0003981900000000, -0.0000146300000000, -0.0029030600000000 ] - [ 0.0003981900000000, 0.0000146300000000, -0.0029030600000000 ] - [ 0.0004105200000000, 0.0000000000000000, -0.0023250800000000 ] - [ 0.0010152500000000, -0.0022728400000000, -0.0032415900000000 ] - [ 0.0010152500000000, 0.0022728400000000, -0.0032415900000000 ] - [ 0.0001595700000000, 0.0000000000000000, -0.0012256800000000 ] - [ 0.0132864500000000, -0.0140122000000000, 0.0016956900000000 ] - [ 0.0132864500000000, 0.0140122000000000, 0.0016956900000000 ] - [ -0.0003039100000000, 0.0000000000000000, 0.0028292400000000 ] - [ -0.0013568700000000, -0.0019199100000000, -0.0032937700000000 ] - [ -0.0013568700000000, 0.0019199100000000, -0.0032937700000000 ] - [ -0.0004770200000000, 0.0000000000000000, -0.0013288500000000 ] - [ -0.0142245200000000, -0.0149432500000000, 0.0013114200000000 ] - [ -0.0142245200000000, 0.0149432500000000, 0.0013114200000000 ] - [ -0.0006555500000000, 0.0000000000000000, 0.0029984200000000 ] - [ -0.0123756000000000, 0.0140374600000000, 0.0009552500000000 ] - [ -0.0123756000000000, -0.0140374600000000, 0.0009552500000000 ] - [ -0.0002711900000000, 0.0000000000000000, 0.0032201100000000 ] - [ 0.0125349400000000, 0.0144559600000000, 0.0017959100000000 ] - [ 0.0125349400000000, -0.0144559600000000, 0.0017959100000000 ] - [ -0.0001393300000000, 0.0000000000000000, 0.0026932000000000 ] - [ -0.0109595200000000, 0.0000000000000000, -0.0041344400000000 ] - [ -0.0095150800000000, -0.0038784700000000, -0.0031978400000000 ] - [ -0.0095150800000000, 0.0038784700000000, -0.0031978400000000 ] - [ -0.0095779300000000, 0.0000000000000000, -0.0116867600000000 ] - [ -0.0103350100000000, -0.0012056000000000, -0.0040773600000000 ] - [ -0.0103350100000000, 0.0012056000000000, -0.0040773600000000 ] - [ -0.0051638700000000, 0.0000000000000000, -0.0036525700000000 ] - [ -0.0043570800000000, -0.0009037500000000, 0.0012703300000000 ] - [ -0.0043570800000000, 0.0009037500000000, 0.0012703300000000 ] - [ -0.0073154400000000, 0.0000000000000000, -0.0081388700000000 ] - [ -0.0066709100000000, 0.0010744200000000, -0.0020407300000000 ] - [ -0.0066709100000000, -0.0010744200000000, -0.0020407300000000 ] - [ -0.0063252100000000, 0.0000000000000000, 0.0071402700000000 ] - [ -0.0065304100000000, 0.0033844100000000, 0.0071249100000000 ] - [ -0.0065304100000000, -0.0033844100000000, 0.0071249100000000 ] - [ -0.0060025100000000, 0.0000000000000000, -0.0659863900000000 ] - [ -0.0071859300000000, 0.0110549200000000, 0.0066433500000000 ] - [ -0.0071859300000000, -0.0110549200000000, 0.0066433500000000 ] - [ -0.0062124100000000, 0.0000000000000000, -0.0063326000000000 ] - [ -0.0064274100000000, 0.0008632100000000, -0.0019942200000000 ] - [ -0.0064274100000000, -0.0008632100000000, -0.0019942200000000 ] - [ -0.0053430400000000, 0.0000000000000000, 0.2201225200000000 ] - [ -0.0069824400000000, -0.0009535100000000, 0.0171760600000000 ] - [ -0.0069824400000000, 0.0009535100000000, 0.0171760600000000 ] - [ -0.0168164000000000, 0.0000000000000000, -0.0657311000000000 ] - [ -0.0090793700000000, -0.0121799000000000, 0.0030816500000000 ] - [ -0.0090793700000000, 0.0121799000000000, 0.0030816500000000 ] - [ -0.0128783800000000, 0.0000000000000000, 0.0231733200000000 ] - [ -0.0067171100000000, -0.0001883500000000, 0.0148989000000000 ] - [ -0.0067171100000000, 0.0001883500000000, 0.0148989000000000 ]- atom: 145 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0004925100000000, -0.0000928900000000, 0.0000643100000000 ] - [ -0.0004925100000000, 0.0000928900000000, 0.0000643100000000 ] - [ -0.0005292800000000, 0.0000000000000000, -0.0000237100000000 ] - [ 0.0017813000000000, -0.0069650200000000, 0.0060115600000000 ] - [ 0.0017813000000000, 0.0069650200000000, 0.0060115600000000 ] - [ -0.0001616700000000, 0.0000000000000000, -0.0000429200000000 ] - [ 0.0007267300000000, 0.0057110800000000, -0.0053365100000000 ] - [ 0.0007267300000000, -0.0057110800000000, -0.0053365100000000 ] - [ -0.0001521300000000, 0.0000000000000000, 0.0001999500000000 ] - [ 0.0044781000000000, 0.0001507700000000, -0.0038854100000000 ] - [ 0.0044781000000000, -0.0001507700000000, -0.0038854100000000 ] - [ 0.0044857200000000, 0.0000000000000000, -0.0038266400000000 ] - [ 0.0100750000000000, 0.0018327500000000, -0.0039622800000000 ] - [ 0.0100750000000000, -0.0018327500000000, -0.0039622800000000 ] - [ 0.0096994900000000, 0.0000000000000000, -0.0033567100000000 ] - [ 0.0010862900000000, 0.0005100600000000, -0.0073104100000000 ] - [ 0.0010862900000000, -0.0005100600000000, -0.0073104100000000 ] - [ 0.0013298600000000, 0.0000000000000000, -0.0072211400000000 ] - [ -0.0006302600000000, 0.0000000000000000, -0.0019953100000000 ] - [ -0.0006461400000000, -0.0000060500000000, -0.0016667500000000 ] - [ -0.0006461400000000, 0.0000060500000000, -0.0016667500000000 ] - [ 0.0018545100000000, 0.0000000000000000, 0.0000628500000000 ] - [ 0.0019472700000000, -0.0000208600000000, 0.0001728200000000 ] - [ 0.0019472700000000, 0.0000208600000000, 0.0001728200000000 ] - [ -0.0005851200000000, 0.0000000000000000, -0.0027394900000000 ] - [ -0.0003286300000000, -0.0000626500000000, -0.0021231800000000 ] - [ -0.0003286300000000, 0.0000626500000000, -0.0021231800000000 ] - [ 0.0020290600000000, 0.0000000000000000, -0.0001818000000000 ] - [ 0.0019538900000000, -0.0000242800000000, -0.0000437100000000 ] - [ 0.0019538900000000, 0.0000242800000000, -0.0000437100000000 ] - [ 0.0004732400000000, 0.0000000000000000, -0.0030521100000000 ] - [ -0.0000465600000000, -0.0001651500000000, -0.0015540700000000 ] - [ -0.0000465600000000, 0.0001651500000000, -0.0015540700000000 ] - [ 0.0023110100000000, 0.0000000000000000, -0.0003272300000000 ] - [ 0.0023142800000000, 0.0000281600000000, -0.0001819000000000 ] - [ 0.0023142800000000, -0.0000281600000000, -0.0001819000000000 ] - [ 0.0003705800000000, 0.0000000000000000, -0.0017392500000000 ] - [ 0.0003403400000000, -0.0000049800000000, -0.0015207200000000 ] - [ 0.0003403400000000, 0.0000049800000000, -0.0015207200000000 ] - [ 0.0171260200000000, 0.0000000000000000, -0.0017299100000000 ] - [ 0.0001637900000000, 0.0004990700000000, -0.0021405900000000 ] - [ 0.0001637900000000, -0.0004990700000000, -0.0021405900000000 ] - [ 0.0042510000000000, 0.0000000000000000, 0.0007599100000000 ] - [ 0.0029024700000000, -0.0008408700000000, 0.0014605600000000 ] - [ 0.0029024700000000, 0.0008408700000000, 0.0014605600000000 ] - [ -0.0007144800000000, 0.0000000000000000, -0.0015449200000000 ] - [ -0.0005565500000000, 0.0000137900000000, -0.0012504500000000 ] - [ -0.0005565500000000, -0.0000137900000000, -0.0012504500000000 ] - [ 0.0025739000000000, 0.0000000000000000, 0.0002273800000000 ] - [ 0.0025626900000000, 0.0000148000000000, 0.0003380800000000 ] - [ 0.0025626900000000, -0.0000148000000000, 0.0003380800000000 ] - [ 0.0002385800000000, 0.0000000000000000, -0.0032669300000000 ] - [ 0.0002164500000000, 0.0001885200000000, -0.0018930700000000 ] - [ 0.0002164500000000, -0.0001885200000000, -0.0018930700000000 ] - [ 0.0381486600000000, 0.0000000000000000, -0.0103207900000000 ] - [ 0.0034920800000000, 0.0003183500000000, -0.0007895600000000 ] - [ 0.0034920800000000, -0.0003183500000000, -0.0007895600000000 ] - [ -0.0175663000000000, 0.0000000000000000, -0.0017142300000000 ] - [ -0.0008721300000000, -0.0000534600000000, -0.0011957900000000 ] - [ -0.0008721300000000, 0.0000534600000000, -0.0011957900000000 ] - [ 0.0001105400000000, 0.0000000000000000, -0.0003754500000000 ] - [ 0.0013805200000000, -0.0001510100000000, -0.0001708700000000 ] - [ 0.0013805200000000, 0.0001510100000000, -0.0001708700000000 ] - [ -0.0133520500000000, 0.0000000000000000, -0.0026998400000000 ] - [ 0.0001551900000000, -0.0002280900000000, -0.0001144300000000 ] - [ 0.0001551900000000, 0.0002280900000000, -0.0001144300000000 ] - [ -0.0332461000000000, 0.0000000000000000, -0.0058139800000000 ] - [ 0.0012015000000000, 0.0001976700000000, -0.0001902900000000 ] - [ 0.0012015000000000, -0.0001976700000000, -0.0001902900000000 ] - [ 0.0141487200000000, 0.0000000000000000, -0.0039712300000000 ] - [ 0.0001891100000000, 0.0000876400000000, -0.0009745900000000 ] - [ 0.0001891100000000, -0.0000876400000000, -0.0009745900000000 ] - [ 0.0005468000000000, 0.0000000000000000, -0.0004684100000000 ] - [ 0.0021292400000000, 0.0004047800000000, -0.0001424100000000 ] - [ 0.0021292400000000, -0.0004047800000000, -0.0001424100000000 ] - [ 0.0026535300000000, 0.0000000000000000, 0.0008270900000000 ] - [ 0.0024164500000000, 0.0000205000000000, 0.0004738000000000 ] - [ 0.0024164500000000, -0.0000205000000000, 0.0004738000000000 ] - [ 0.0055263800000000, -0.0000918200000000, -0.0036652600000000 ] - [ 0.0055263800000000, 0.0000918200000000, -0.0036652600000000 ] - [ 0.0055349400000000, 0.0000000000000000, -0.0036209400000000 ] - [ 0.0055276100000000, -0.0016495800000000, -0.0042950700000000 ] - [ 0.0055276100000000, 0.0016495800000000, -0.0042950700000000 ] - [ 0.0048049900000000, 0.0000000000000000, -0.0035737900000000 ] - [ 0.0049603400000000, 0.0000974200000000, -0.0027118000000000 ] - [ 0.0049603400000000, -0.0000974200000000, -0.0027118000000000 ] - [ 0.0049528100000000, 0.0000000000000000, -0.0026706100000000 ] - [ 0.0244671400000000, 0.0019315900000000, -0.0006663400000000 ] - [ 0.0244671400000000, -0.0019315900000000, -0.0006663400000000 ] - [ 0.0072504500000000, 0.0000000000000000, -0.0004716700000000 ] - [ 0.0047204800000000, -0.0000513800000000, -0.0044557500000000 ] - [ 0.0047204800000000, 0.0000513800000000, -0.0044557500000000 ] - [ 0.0047066900000000, 0.0000000000000000, -0.0044108500000000 ] - [ 0.0044743000000000, -0.0001462200000000, -0.0037041500000000 ] - [ 0.0044743000000000, 0.0001462200000000, -0.0037041500000000 ] - [ 0.0050528400000000, 0.0000000000000000, -0.0039847300000000 ] - [ -0.0083103600000000, 0.0010556900000000, 0.0031742500000000 ] - [ -0.0083103600000000, -0.0010556900000000, 0.0031742500000000 ] - [ 0.0065061200000000, 0.0000000000000000, 0.0044917800000000 ] - [ 0.0003038900000000, -0.0001212800000000, 0.0002176600000000 ] - [ 0.0003038900000000, 0.0001212800000000, 0.0002176600000000 ] - [ 0.0004135300000000, 0.0000000000000000, 0.0001375600000000 ] - [ -0.0003103700000000, -0.0000125000000000, 0.0002764700000000 ] - [ -0.0003103700000000, 0.0000125000000000, 0.0002764700000000 ] - [ -0.0003120800000000, 0.0000000000000000, 0.0002245100000000 ] - [ -0.0005479700000000, 0.0001522700000000, -0.0001155300000000 ] - [ -0.0005479700000000, -0.0001522700000000, -0.0001155300000000 ] - [ -0.0004541600000000, 0.0000000000000000, -0.0002167000000000 ] - [ -0.0000283600000000, -0.0000114900000000, 0.0002449900000000 ] - [ -0.0000283600000000, 0.0000114900000000, 0.0002449900000000 ] - [ -0.0000252700000000, 0.0000000000000000, 0.0001937600000000 ] - [ -0.0004287900000000, 0.0001243800000000, 0.0003042200000000 ] - [ -0.0004287900000000, -0.0001243800000000, 0.0003042200000000 ] - [ -0.0005164800000000, 0.0000000000000000, 0.0001860900000000 ] - [ 0.0019273800000000, -0.0132860400000000, -0.0135528800000000 ] - [ 0.0019273800000000, 0.0132860400000000, -0.0135528800000000 ] - [ -0.0000282600000000, 0.0000000000000000, 0.0001235200000000 ] - [ 0.0042985000000000, 0.0103838400000000, 0.0098201700000000 ] - [ 0.0042985000000000, -0.0103838400000000, 0.0098201700000000 ] - [ -0.0004833600000000, 0.0000000000000000, -0.0002230600000000 ] - [ 0.1571060000000000, 0.0000000000000000, 0.0122883300000000 ] - [ -0.0080783700000000, 0.0010443900000000, -0.0037620800000000 ] - [ -0.0080783700000000, -0.0010443900000000, -0.0037620800000000 ] - [ -0.0140856600000000, 0.0000000000000000, 0.0119158100000000 ] - [ -0.0114381900000000, 0.0011835000000000, 0.0045708300000000 ] - [ -0.0114381900000000, -0.0011835000000000, 0.0045708300000000 ] - [ -0.0011395800000000, 0.0000000000000000, 0.0095122900000000 ] - [ -0.0031084100000000, 0.0003516600000000, 0.0083955300000000 ] - [ -0.0031084100000000, -0.0003516600000000, 0.0083955300000000 ] - [ -0.0058668300000000, 0.0000000000000000, 0.0059955700000000 ] - [ -0.0059198600000000, 0.0001107800000000, 0.0053132000000000 ] - [ -0.0059198600000000, -0.0001107800000000, 0.0053132000000000 ] - [ -0.0064370900000000, 0.0000000000000000, 0.0064199700000000 ] - [ -0.0063709700000000, -0.0000508400000000, 0.0060417300000000 ] - [ -0.0063709700000000, 0.0000508400000000, 0.0060417300000000 ] - [ -0.0074890400000000, 0.0000000000000000, 0.0057956800000000 ] - [ -0.0075353300000000, -0.0000659000000000, 0.0052619200000000 ] - [ -0.0075353300000000, 0.0000659000000000, 0.0052619200000000 ] - [ -0.0068357500000000, 0.0000000000000000, 0.0042831500000000 ] - [ -0.0067684300000000, 0.0000809600000000, 0.0039441900000000 ] - [ -0.0067684300000000, -0.0000809600000000, 0.0039441900000000 ] - [ -0.0091025200000000, 0.0000000000000000, 0.0126453300000000 ] - [ -0.0078850100000000, -0.0009518600000000, 0.0048080400000000 ] - [ -0.0078850100000000, 0.0009518600000000, 0.0048080400000000 ] - [ -0.1973151100000000, 0.0000000000000000, 0.0059758000000000 ] - [ -0.0099762900000000, -0.0029244000000000, 0.0019095400000000 ] - [ -0.0099762900000000, 0.0029244000000000, 0.0019095400000000 ] - [ -0.0054107900000000, 0.0000000000000000, 0.0043448700000000 ] - [ -0.0061896300000000, 0.0000503800000000, 0.0050585200000000 ] - [ -0.0061896300000000, -0.0000503800000000, 0.0050585200000000 ]- atom: 145 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005813700000000, 0.0000939700000000, -0.0001974000000000 ] - [ -0.0005813700000000, -0.0000939700000000, -0.0001974000000000 ] - [ -0.0005437700000000, 0.0000000000000000, -0.0001068400000000 ] - [ -0.0020753800000000, 0.0068845300000000, -0.0058200300000000 ] - [ -0.0020753800000000, -0.0068845300000000, -0.0058200300000000 ] - [ -0.0001094400000000, 0.0000000000000000, 0.0001563700000000 ] - [ -0.0009882800000000, -0.0057994300000000, 0.0060312700000000 ] - [ -0.0009882800000000, 0.0057994300000000, 0.0060312700000000 ] - [ -0.0001543400000000, 0.0000000000000000, 0.0004205700000000 ] - [ 0.0044952100000000, -0.0001510400000000, -0.0035123100000000 ] - [ 0.0044952100000000, 0.0001510400000000, -0.0035123100000000 ] - [ 0.0044884000000000, 0.0000000000000000, -0.0035703400000000 ] - [ 0.0091882100000000, -0.0018616300000000, -0.0029074900000000 ] - [ 0.0091882100000000, 0.0018616300000000, -0.0029074900000000 ] - [ 0.0095688100000000, 0.0000000000000000, -0.0035248400000000 ] - [ 0.0016718900000000, -0.0004923500000000, -0.0071365600000000 ] - [ 0.0016718900000000, 0.0004923500000000, -0.0071365600000000 ] - [ 0.0014277000000000, 0.0000000000000000, -0.0072134100000000 ] - [ -0.0006572600000000, 0.0000000000000000, -0.0006081200000000 ] - [ -0.0006484500000000, 0.0000061300000000, -0.0009338700000000 ] - [ -0.0006484500000000, -0.0000061300000000, -0.0009338700000000 ] - [ 0.0020894400000000, 0.0000000000000000, 0.0004523800000000 ] - [ 0.0019933800000000, 0.0000209000000000, 0.0003412600000000 ] - [ 0.0019933800000000, -0.0000209000000000, 0.0003412600000000 ] - [ -0.0000476000000000, 0.0000000000000000, -0.0012280200000000 ] - [ -0.0003105100000000, 0.0000605100000000, -0.0018392000000000 ] - [ -0.0003105100000000, -0.0000605100000000, -0.0018392000000000 ] - [ 0.0018654000000000, 0.0000000000000000, 0.0002943200000000 ] - [ 0.0019381400000000, 0.0000243400000000, 0.0001547300000000 ] - [ 0.0019381400000000, -0.0000243400000000, 0.0001547300000000 ] - [ -0.0005707900000000, 0.0000000000000000, 0.0003891300000000 ] - [ -0.0000557700000000, 0.0001678600000000, -0.0010866500000000 ] - [ -0.0000557700000000, -0.0001678600000000, -0.0010866500000000 ] - [ 0.0022503800000000, 0.0000000000000000, 0.0001437300000000 ] - [ 0.0022457300000000, -0.0000279900000000, -0.0000013700000000 ] - [ 0.0022457300000000, 0.0000279900000000, -0.0000013700000000 ] - [ 0.0003178000000000, 0.0000000000000000, -0.0007246100000000 ] - [ 0.0003467600000000, 0.0000048200000000, -0.0009436500000000 ] - [ 0.0003467600000000, -0.0000048200000000, -0.0009436500000000 ] - [ -0.0179140600000000, 0.0000000000000000, -0.0016754800000000 ] - [ -0.0011867200000000, -0.0004845300000000, -0.0017903600000000 ] - [ -0.0011867200000000, 0.0004845300000000, -0.0017903600000000 ] - [ 0.0007933200000000, 0.0000000000000000, 0.0002975600000000 ] - [ 0.0020729800000000, 0.0008310700000000, -0.0003743400000000 ] - [ 0.0020729800000000, -0.0008310700000000, -0.0003743400000000 ] - [ -0.0002307600000000, 0.0000000000000000, -0.0007521600000000 ] - [ -0.0003993300000000, -0.0000156700000000, -0.0010538100000000 ] - [ -0.0003993300000000, 0.0000156700000000, -0.0010538100000000 ] - [ 0.0026389500000000, 0.0000000000000000, 0.0006576300000000 ] - [ 0.0026453700000000, -0.0000145800000000, 0.0005467800000000 ] - [ 0.0026453700000000, 0.0000145800000000, 0.0005467800000000 ] - [ 0.0000382700000000, 0.0000000000000000, 0.0002360800000000 ] - [ 0.0000458300000000, -0.0001861400000000, -0.0011329400000000 ] - [ 0.0000458300000000, 0.0001861400000000, -0.0011329400000000 ] - [ -0.0249205100000000, 0.0000000000000000, 0.0086969600000000 ] - [ 0.0024885200000000, -0.0002918400000000, 0.0000812300000000 ] - [ 0.0024885200000000, 0.0002918400000000, 0.0000812300000000 ] - [ 0.0170947900000000, 0.0000000000000000, -0.0009924200000000 ] - [ 0.0003082000000000, 0.0000348700000000, -0.0016222400000000 ] - [ 0.0003082000000000, -0.0000348700000000, -0.0016222400000000 ] - [ 0.0027999700000000, 0.0000000000000000, 0.0000274000000000 ] - [ 0.0014655700000000, 0.0001503100000000, -0.0001930300000000 ] - [ 0.0014655700000000, -0.0001503100000000, -0.0001930300000000 ] - [ 0.0142596400000000, 0.0000000000000000, 0.0016488500000000 ] - [ 0.0006846900000000, 0.0002116800000000, -0.0008121200000000 ] - [ 0.0006846900000000, -0.0002116800000000, -0.0008121200000000 ] - [ 0.0356026200000000, 0.0000000000000000, 0.0058649500000000 ] - [ 0.0034450700000000, -0.0001935300000000, -0.0001395200000000 ] - [ 0.0034450700000000, 0.0001935300000000, -0.0001395200000000 ] - [ -0.0143272000000000, 0.0000000000000000, -0.0005347400000000 ] - [ -0.0004419900000000, -0.0000675700000000, -0.0031131800000000 ] - [ -0.0004419900000000, 0.0000675700000000, -0.0031131800000000 ] - [ 0.0042942100000000, 0.0000000000000000, 0.0008470500000000 ] - [ 0.0027208200000000, -0.0004096300000000, 0.0005170100000000 ] - [ 0.0027208200000000, 0.0004096300000000, 0.0005170100000000 ] - [ 0.0020996900000000, 0.0000000000000000, -0.0003085800000000 ] - [ 0.0023949600000000, -0.0000226700000000, 0.0000474600000000 ] - [ 0.0023949600000000, 0.0000226700000000, 0.0000474600000000 ] - [ 0.0055267000000000, 0.0000911100000000, -0.0032703500000000 ] - [ 0.0055267000000000, -0.0000911100000000, -0.0032703500000000 ] - [ 0.0055184400000000, 0.0000000000000000, -0.0033146900000000 ] - [ 0.0037665600000000, 0.0016266300000000, -0.0025334200000000 ] - [ 0.0037665600000000, -0.0016266300000000, -0.0025334200000000 ] - [ 0.0044946800000000, 0.0000000000000000, -0.0032477200000000 ] - [ 0.0049330900000000, -0.0000967900000000, -0.0024480700000000 ] - [ 0.0049330900000000, 0.0000967900000000, -0.0024480700000000 ] - [ 0.0049405000000000, 0.0000000000000000, -0.0024894700000000 ] - [ -0.0103919500000000, -0.0015426900000000, -0.0006989700000000 ] - [ -0.0103919500000000, 0.0015426900000000, -0.0006989700000000 ] - [ 0.0066188300000000, 0.0000000000000000, -0.0008763400000000 ] - [ 0.0047179200000000, 0.0000517200000000, -0.0042107700000000 ] - [ 0.0047179200000000, -0.0000517200000000, -0.0042107700000000 ] - [ 0.0047319800000000, 0.0000000000000000, -0.0042557000000000 ] - [ 0.0059297200000000, 0.0001605700000000, -0.0042772400000000 ] - [ 0.0059297200000000, -0.0001605700000000, -0.0042772400000000 ] - [ 0.0053520400000000, 0.0000000000000000, -0.0040112600000000 ] - [ 0.0221517400000000, -0.0008839400000000, 0.0055756600000000 ] - [ 0.0221517400000000, 0.0008839400000000, 0.0055756600000000 ] - [ 0.0072709600000000, 0.0000000000000000, 0.0042460200000000 ] - [ 0.0005643200000000, 0.0001199300000000, -0.0000020900000000 ] - [ 0.0005643200000000, -0.0001199300000000, -0.0000020900000000 ] - [ 0.0004537300000000, 0.0000000000000000, 0.0000774400000000 ] - [ -0.0002971600000000, 0.0000114200000000, -0.0000996600000000 ] - [ -0.0002971600000000, -0.0000114200000000, -0.0000996600000000 ] - [ -0.0002949900000000, 0.0000000000000000, -0.0000473900000000 ] - [ -0.0002487700000000, -0.0001504400000000, -0.0002231400000000 ] - [ -0.0002487700000000, 0.0001504400000000, -0.0002231400000000 ] - [ -0.0003423400000000, 0.0000000000000000, -0.0001226600000000 ] - [ -0.0000430000000000, 0.0000120000000000, -0.0001485900000000 ] - [ -0.0000430000000000, -0.0000120000000000, -0.0001485900000000 ] - [ -0.0000455600000000, 0.0000000000000000, -0.0000974500000000 ] - [ -0.0007293800000000, -0.0001245800000000, -0.0002265200000000 ] - [ -0.0007293800000000, 0.0001245800000000, -0.0002265200000000 ] - [ -0.0006431800000000, 0.0000000000000000, -0.0001090100000000 ] - [ -0.0017995700000000, 0.0131317900000000, 0.0134702000000000 ] - [ -0.0017995700000000, -0.0131317900000000, 0.0134702000000000 ] - [ 0.0001995000000000, 0.0000000000000000, -0.0000548500000000 ] - [ -0.0054556600000000, -0.0105252200000000, -0.0102886900000000 ] - [ -0.0054556600000000, 0.0105252200000000, -0.0102886900000000 ] - [ -0.0007194100000000, 0.0000000000000000, -0.0000956200000000 ] - [ -0.1770873200000000, 0.0000000000000000, -0.0189887600000000 ] - [ -0.0108394900000000, -0.0008759500000000, -0.0028595800000000 ] - [ -0.0108394900000000, 0.0008759500000000, -0.0028595800000000 ] - [ -0.0082351400000000, 0.0000000000000000, -0.0018021000000000 ] - [ -0.0109202400000000, -0.0011991800000000, 0.0057700900000000 ] - [ -0.0109202400000000, 0.0011991800000000, 0.0057700900000000 ] - [ -0.0058101800000000, 0.0000000000000000, 0.0076413000000000 ] - [ -0.0038185100000000, -0.0003331800000000, 0.0086103700000000 ] - [ -0.0038185100000000, 0.0003331800000000, 0.0086103700000000 ] - [ -0.0060793800000000, 0.0000000000000000, 0.0038345200000000 ] - [ -0.0060176500000000, -0.0001122800000000, 0.0045109800000000 ] - [ -0.0060176500000000, 0.0001122800000000, 0.0045109800000000 ] - [ -0.0063572500000000, 0.0000000000000000, 0.0051058200000000 ] - [ -0.0064190600000000, 0.0000495100000000, 0.0054795600000000 ] - [ -0.0064190600000000, -0.0000495100000000, 0.0054795600000000 ] - [ -0.0075589400000000, 0.0000000000000000, 0.0037505900000000 ] - [ -0.0075100600000000, 0.0000676100000000, 0.0042893200000000 ] - [ -0.0075100600000000, -0.0000676100000000, 0.0042893200000000 ] - [ -0.0066779900000000, 0.0000000000000000, 0.0029908100000000 ] - [ -0.0067457700000000, -0.0000785700000000, 0.0033335400000000 ] - [ -0.0067457700000000, 0.0000785700000000, 0.0033335400000000 ] - [ -0.0048050100000000, 0.0000000000000000, -0.0035265500000000 ] - [ -0.0060315300000000, 0.0009425500000000, 0.0041746300000000 ] - [ -0.0060315300000000, -0.0009425500000000, 0.0041746300000000 ] - [ 0.1746872500000000, 0.0000000000000000, -0.0001121800000000 ] - [ -0.0075485800000000, 0.0026892500000000, 0.0031121600000000 ] - [ -0.0075485800000000, -0.0026892500000000, 0.0031121600000000 ] - [ -0.0086216600000000, 0.0000000000000000, 0.0058459400000000 ] - [ -0.0078087800000000, -0.0000378000000000, 0.0052338500000000 ] - [ -0.0078087800000000, 0.0000378000000000, 0.0052338500000000 ]- atom: 145 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005995200000000, -0.0002921200000000, -0.0003342800000000 ] - [ -0.0004711500000000, -0.0002948000000000, 0.0002015800000000 ] - [ -0.0005352400000000, 0.0005821200000000, -0.0000645900000000 ] - [ -0.0073979400000000, 0.0008431000000000, -0.0071856000000000 ] - [ 0.0072290300000000, 0.0008323300000000, 0.0073801100000000 ] - [ -0.0001286000000000, 0.0030763900000000, 0.0000578800000000 ] - [ 0.0066201300000000, 0.0008785800000000, -0.0076035600000000 ] - [ -0.0070168400000000, 0.0008761900000000, 0.0083246600000000 ] - [ -0.0001583500000000, 0.0028554300000000, 0.0003140000000000 ] - [ 0.0045154700000000, 0.0004443900000000, -0.0035785200000000 ] - [ 0.0044586800000000, 0.0004454900000000, -0.0038207900000000 ] - [ 0.0044872600000000, -0.0010588200000000, -0.0036997500000000 ] - [ 0.0097353600000000, 0.0038101700000000, -0.0023263700000000 ] - [ 0.0095324300000000, 0.0038714300000000, -0.0045481300000000 ] - [ 0.0096371700000000, -0.0085019300000000, -0.0034540900000000 ] - [ 0.0014482000000000, 0.0018771100000000, -0.0067263500000000 ] - [ 0.0013113700000000, 0.0018971500000000, -0.0077032100000000 ] - [ 0.0013794900000000, -0.0037716800000000, -0.0072160200000000 ] - [ -0.0006440000000000, 0.0001271400000000, -0.0013026700000000 ] - [ -0.0005967300000000, -0.0001740500000000, -0.0012494300000000 ] - [ -0.0006965800000000, -0.0001748800000000, -0.0013556600000000 ] - [ 0.0019703200000000, 0.0001821900000000, 0.0002574300000000 ] - [ 0.0018606200000000, -0.0000939300000000, 0.0000129800000000 ] - [ 0.0020787600000000, -0.0000950300000000, 0.0004990900000000 ] - [ -0.0003177300000000, 0.0005185300000000, -0.0019689500000000 ] - [ -0.0004528700000000, -0.0002598000000000, -0.0037086700000000 ] - [ -0.0001847600000000, -0.0002621100000000, -0.0002545400000000 ] - [ 0.0019492900000000, 0.0002360600000000, 0.0000556300000000 ] - [ 0.0019832000000000, -0.0001110900000000, -0.0002248200000000 ] - [ 0.0019117500000000, -0.0001118400000000, 0.0003336200000000 ] - [ -0.0000473500000000, 0.0010603400000000, -0.0013333200000000 ] - [ 0.0003021000000000, -0.0006898900000000, -0.0043084700000000 ] - [ -0.0004015400000000, -0.0006985000000000, 0.0016529300000000 ] - [ 0.0022796300000000, 0.0002718000000000, -0.0000926200000000 ] - [ 0.0022214500000000, -0.0001345800000000, 0.0001911500000000 ] - [ 0.0023386500000000, -0.0001351800000000, -0.0003749200000000 ] - [ 0.0003433600000000, 0.0002006400000000, -0.0012327200000000 ] - [ 0.0003654000000000, -0.0001015700000000, -0.0012095100000000 ] - [ 0.0003219500000000, -0.0001021800000000, -0.0012577500000000 ] - [ -0.0004777800000000, 0.0198826400000000, -0.0016127100000000 ] - [ 0.0005166500000000, -0.0110131200000000, 0.0149991700000000 ] - [ -0.0015265000000000, -0.0109359900000000, -0.0188687300000000 ] - [ 0.0024945900000000, 0.0024701600000000, 0.0005299700000000 ] - [ 0.0015084800000000, -0.0012051600000000, 0.0022981000000000 ] - [ 0.0034605600000000, -0.0012099900000000, -0.0012117600000000 ] - [ -0.0004769100000000, 0.0007118600000000, -0.0011597400000000 ] - [ -0.0004252500000000, -0.0003587100000000, 0.0005018300000000 ] - [ -0.0005293100000000, -0.0003595100000000, -0.0028088000000000 ] - [ 0.0026068500000000, 0.0002690600000000, 0.0004416600000000 ] - [ 0.0026621300000000, -0.0001306000000000, 0.0007105200000000 ] - [ 0.0025472500000000, -0.0001312000000000, 0.0001740600000000 ] - [ 0.0001348700000000, 0.0011050100000000, -0.0015106300000000 ] - [ 0.0002738400000000, -0.0007497400000000, 0.0012527500000000 ] - [ -0.0000104700000000, -0.0007582900000000, -0.0042786100000000 ] - [ 0.0026327900000000, 0.0199681500000000, -0.0003156400000000 ] - [ -0.0116341800000000, -0.0102795400000000, 0.0012151500000000 ] - [ 0.0175008700000000, -0.0102192700000000, -0.0019138400000000 ] - [ -0.0002732900000000, 0.0033287300000000, -0.0014364900000000 ] - [ -0.0006131900000000, -0.0016091300000000, 0.0019545500000000 ] - [ 0.0000532700000000, -0.0016163900000000, -0.0047770700000000 ] - [ 0.0014240200000000, 0.0008932400000000, -0.0001744800000000 ] - [ -0.0000186700000000, -0.0004265700000000, -0.0016905200000000 ] - [ 0.0028461000000000, -0.0004301400000000, 0.0013185400000000 ] - [ 0.0004325400000000, 0.0018224600000000, -0.0004283300000000 ] - [ -0.0002198500000000, -0.0009068600000000, -0.0043048800000000 ] - [ 0.0010547400000000, -0.0009106300000000, 0.0033876600000000 ] - [ 0.0026700700000000, 0.0170348400000000, -0.0001968600000000 ] - [ 0.0147363100000000, -0.0094225100000000, -0.0002462600000000 ] - [ -0.0099564300000000, -0.0093603400000000, -0.0000825200000000 ] - [ -0.0001598300000000, 0.0160955600000000, -0.0023459600000000 ] - [ -0.0002400200000000, -0.0085787800000000, -0.0188243900000000 ] - [ -0.0000118100000000, -0.0085042900000000, 0.0146369200000000 ] - [ 0.0024270100000000, 0.0020788800000000, 0.0001816700000000 ] - [ 0.0035559300000000, -0.0010159000000000, 0.0020547800000000 ] - [ 0.0013036900000000, -0.0010171800000000, -0.0016728900000000 ] - [ 0.0024047600000000, 0.0013373700000000, 0.0002697900000000 ] - [ 0.0037211100000000, -0.0006653000000000, -0.0013881700000000 ] - [ 0.0011119600000000, -0.0006681000000000, 0.0019009100000000 ] - [ 0.0055435700000000, 0.0004251800000000, -0.0036349800000000 ] - [ 0.0055103200000000, 0.0004257900000000, -0.0033020400000000 ] - [ 0.0055269900000000, -0.0010051300000000, -0.0034687700000000 ] - [ 0.0047834000000000, 0.0035080900000000, -0.0057060700000000 ] - [ 0.0045147000000000, 0.0035539300000000, -0.0011335700000000 ] - [ 0.0046492000000000, -0.0078487100000000, -0.0034004300000000 ] - [ 0.0049347500000000, 0.0004065700000000, -0.0024795400000000 ] - [ 0.0049590800000000, 0.0004096800000000, -0.0026798700000000 ] - [ 0.0049468500000000, -0.0008200900000000, -0.0025803900000000 ] - [ 0.0087828700000000, -0.0000591800000000, -0.0033920300000000 ] - [ 0.0048833800000000, 0.0049511300000000, 0.0019787400000000 ] - [ 0.0069168600000000, -0.0384764500000000, -0.0006727400000000 ] - [ 0.0047308100000000, 0.0004061100000000, -0.0044862300000000 ] - [ 0.0047083400000000, 0.0004076300000000, -0.0041817000000000 ] - [ 0.0047196900000000, -0.0008202000000000, -0.0043335400000000 ] - [ 0.0053408200000000, 0.0017739400000000, -0.0058452800000000 ] - [ 0.0050650300000000, 0.0017844300000000, -0.0021434000000000 ] - [ 0.0052026800000000, -0.0035342300000000, -0.0039970400000000 ] - [ 0.0076276000000000, 0.0069160600000000, 0.0046786800000000 ] - [ 0.0061705700000000, 0.0070164600000000, 0.0040535000000000 ] - [ 0.0068851700000000, -0.0152059200000000, 0.0043679300000000 ] - [ 0.0006015700000000, -0.0005895000000000, -0.0004555200000000 ] - [ 0.0002612300000000, -0.0005929200000000, 0.0006697900000000 ] - [ 0.0004313500000000, 0.0011880000000000, 0.0001106400000000 ] - [ -0.0003144500000000, -0.0002035000000000, 0.0000875100000000 ] - [ -0.0002910900000000, -0.0002031100000000, 0.0000908000000000 ] - [ -0.0003026800000000, 0.0004078300000000, 0.0000895900000000 ] - [ -0.0004907000000000, -0.0006349000000000, 0.0005479800000000 ] - [ -0.0003043500000000, -0.0006379800000000, -0.0008849100000000 ] - [ -0.0003968700000000, 0.0012670000000000, -0.0001709200000000 ] - [ -0.0000225700000000, -0.0001983300000000, 0.0000494200000000 ] - [ -0.0000484900000000, -0.0001996600000000, 0.0000485200000000 ] - [ -0.0000353000000000, 0.0003977700000000, 0.0000492300000000 ] - [ -0.0004802200000000, -0.0006340000000000, 0.0007792100000000 ] - [ -0.0006777400000000, -0.0006360100000000, -0.0006995700000000 ] - [ -0.0005801600000000, 0.0012631100000000, 0.0000367100000000 ] - [ -0.0128690900000000, 0.0004612500000000, 0.0149383600000000 ] - [ 0.0131937300000000, 0.0004284800000000, -0.0150288900000000 ] - [ 0.0000945400000000, 0.0069879400000000, 0.0000220000000000 ] - [ 0.0123096300000000, -0.0000141200000000, 0.0140840600000000 ] - [ -0.0136649600000000, -0.0000335800000000, -0.0145688800000000 ] - [ -0.0006119700000000, 0.0065384800000000, -0.0001687100000000 ] - [ -0.0095592700000000, -0.0151453900000000, -0.0033139700000000 ] - [ -0.0087277100000000, 0.0076138900000000, -0.0031053200000000 ] - [ -0.0101977700000000, 0.0076937800000000, -0.0035218600000000 ] - [ -0.0111763800000000, -0.0079024200000000, 0.0050958700000000 ] - [ -0.0128228200000000, 0.0041282300000000, 0.0196539200000000 ] - [ -0.0095466500000000, 0.0041742600000000, -0.0092030500000000 ] - [ -0.0034679900000000, -0.0039452100000000, 0.0084728900000000 ] - [ -0.0028883200000000, 0.0019539100000000, 0.0129781600000000 ] - [ -0.0040384100000000, 0.0019680500000000, 0.0040241900000000 ] - [ -0.0059727400000000, -0.0005938100000000, 0.0049163300000000 ] - [ -0.0058567100000000, 0.0004688600000000, 0.0061795100000000 ] - [ -0.0060806700000000, 0.0004717900000000, 0.0036532200000000 ] - [ -0.0063960400000000, -0.0007198300000000, 0.0057674000000000 ] - [ -0.0063941800000000, 0.0003600500000000, 0.0048651100000000 ] - [ -0.0063953800000000, 0.0003628500000000, 0.0066590100000000 ] - [ -0.0075227100000000, -0.0006271500000000, 0.0047746100000000 ] - [ -0.0075562200000000, 0.0004706000000000, 0.0035684500000000 ] - [ -0.0074887500000000, 0.0004695800000000, 0.0059873000000000 ] - [ -0.0067569200000000, -0.0006804900000000, 0.0036342000000000 ] - [ -0.0067844800000000, 0.0003411100000000, 0.0045410200000000 ] - [ -0.0067306000000000, 0.0003414300000000, 0.0027408900000000 ] - [ -0.0069594200000000, -0.0070191200000000, 0.0045572800000000 ] - [ -0.0063599600000000, 0.0037046400000000, -0.0077580500000000 ] - [ -0.0075492100000000, 0.0037416700000000, 0.0166919000000000 ] - [ -0.0085690200000000, -0.1663932600000000, 0.0026601600000000 ] - [ -0.0059600400000000, 0.0921919600000000, 0.0016232500000000 ] - [ -0.0115742900000000, 0.0916164700000000, 0.0034093300000000 ] - [ -0.0070058000000000, -0.0047227800000000, 0.0051623500000000 ] - [ -0.0073885900000000, 0.0023798200000000, 0.0015701800000000 ] - [ -0.0066158500000000, 0.0023817800000000, 0.0087235900000000 ]- atom: 145 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ 0.0000956400000000, -0.0013071300000000, 0.0019283200000000 ] - [ 0.0000956400000000, 0.0013071300000000, 0.0019283200000000 ] - [ -0.0003505900000000, 0.0000000000000000, 0.0008221800000000 ] - [ 0.0066314100000000, -0.0075899100000000, -0.0015434600000000 ] - [ 0.0066314100000000, 0.0075899100000000, -0.0015434600000000 ] - [ 0.0001688700000000, 0.0000000000000000, -0.0014409100000000 ] - [ -0.0067573800000000, -0.0078860100000000, -0.0002568300000000 ] - [ -0.0067573800000000, 0.0078860100000000, -0.0002568300000000 ] - [ -0.0004280200000000, 0.0000000000000000, -0.0013402900000000 ] - [ 0.0042836600000000, 0.0018143300000000, -0.0067988800000000 ] - [ 0.0042836600000000, -0.0018143300000000, -0.0067988800000000 ] - [ 0.0043901300000000, 0.0000000000000000, -0.0060024900000000 ] - [ 0.0112998100000000, 0.0203444400000000, -0.0105741000000000 ] - [ 0.0112998100000000, -0.0203444400000000, -0.0105741000000000 ] - [ 0.0101984200000000, 0.0000000000000000, -0.0035432400000000 ] - [ 0.0011935500000000, 0.0054665400000000, -0.0071622200000000 ] - [ 0.0011935500000000, -0.0054665400000000, -0.0071622200000000 ] - [ 0.0014023200000000, 0.0000000000000000, -0.0069975500000000 ] - [ -0.0005874000000000, 0.0000000000000000, -0.0113866800000000 ] - [ -0.0006479000000000, -0.0000477800000000, -0.0075940000000000 ] - [ -0.0006479000000000, 0.0000477800000000, -0.0075940000000000 ] - [ 0.0007364200000000, 0.0000000000000000, -0.0029549200000000 ] - [ 0.0014723300000000, -0.0002736200000000, -0.0013880500000000 ] - [ 0.0014723300000000, 0.0002736200000000, -0.0013880500000000 ] - [ -0.0005856000000000, 0.0000000000000000, -0.0108708800000000 ] - [ -0.0001127600000000, -0.0007010000000000, -0.0050978100000000 ] - [ -0.0001127600000000, 0.0007010000000000, -0.0050978100000000 ] - [ 0.0025070500000000, 0.0000000000000000, -0.0036547100000000 ] - [ 0.0021771600000000, -0.0003475000000000, -0.0019592900000000 ] - [ 0.0021771600000000, 0.0003475000000000, -0.0019592900000000 ] - [ 0.0021098200000000, 0.0000000000000000, -0.0232138100000000 ] - [ -0.0002211100000000, -0.0020344900000000, -0.0067155700000000 ] - [ -0.0002211100000000, 0.0020344900000000, -0.0067155700000000 ] - [ 0.0026893600000000, 0.0000000000000000, -0.0034623500000000 ] - [ 0.0024066900000000, 0.0003193500000000, -0.0020310000000000 ] - [ 0.0024066900000000, -0.0003193500000000, -0.0020310000000000 ] - [ 0.0002445100000000, 0.0000000000000000, -0.0093141300000000 ] - [ 0.0002757600000000, -0.0000307200000000, -0.0067763700000000 ] - [ 0.0002757600000000, 0.0000307200000000, -0.0067763700000000 ] - [ 0.0046776300000000, 0.0000000000000000, 0.0269392100000000 ] - [ 0.0000108100000000, 0.0017605100000000, 0.0053625500000000 ] - [ 0.0000108100000000, -0.0017605100000000, 0.0053625500000000 ] - [ 0.0149155200000000, 0.0000000000000000, -0.0065802000000000 ] - [ 0.0036319600000000, 0.0017704800000000, 0.0006674800000000 ] - [ 0.0036319600000000, -0.0017704800000000, 0.0006674800000000 ] - [ -0.0003466500000000, 0.0000000000000000, -0.0091335800000000 ] - [ -0.0003864900000000, 0.0006159000000000, -0.0043953600000000 ] - [ -0.0003864900000000, -0.0006159000000000, -0.0043953600000000 ] - [ 0.0019214400000000, 0.0000000000000000, -0.0028135400000000 ] - [ 0.0022690800000000, 0.0002979100000000, -0.0014649500000000 ] - [ 0.0022690800000000, -0.0002979100000000, -0.0014649500000000 ] - [ -0.0006173000000000, 0.0000000000000000, -0.0196172700000000 ] - [ 0.0001516300000000, 0.0018361400000000, -0.0066323200000000 ] - [ 0.0001516300000000, -0.0018361400000000, -0.0066323200000000 ] - [ -0.0013357300000000, 0.0000000000000000, 0.0219143200000000 ] - [ 0.0028410500000000, 0.0003665900000000, 0.0028891600000000 ] - [ 0.0028410500000000, -0.0003665900000000, 0.0028891600000000 ] - [ 0.0004108500000000, 0.0000000000000000, 0.0098768200000000 ] - [ -0.0007798200000000, 0.0015294700000000, 0.0040770500000000 ] - [ -0.0007798200000000, -0.0015294700000000, 0.0040770500000000 ] - [ -0.0149235700000000, 0.0000000000000000, -0.0080661500000000 ] - [ -0.0002818800000000, -0.0015633800000000, -0.0000523000000000 ] - [ -0.0002818800000000, 0.0015633800000000, -0.0000523000000000 ] - [ -0.0015322000000000, 0.0000000000000000, 0.0131194700000000 ] - [ -0.0001077700000000, -0.0006575300000000, 0.0067561200000000 ] - [ -0.0001077700000000, 0.0006575300000000, 0.0067561200000000 ] - [ 0.0080066700000000, 0.0000000000000000, 0.0187736600000000 ] - [ 0.0026574700000000, 0.0000208000000000, 0.0026042600000000 ] - [ 0.0026574700000000, -0.0000208000000000, 0.0026042600000000 ] - [ 0.0069587700000000, 0.0000000000000000, 0.0000844100000000 ] - [ -0.0000679500000000, -0.0018727500000000, 0.0070742300000000 ] - [ -0.0000679500000000, 0.0018727500000000, 0.0070742300000000 ] - [ -0.0097613800000000, 0.0000000000000000, -0.0072302800000000 ] - [ 0.0012589500000000, 0.0016755400000000, 0.0001793600000000 ] - [ 0.0012589500000000, -0.0016755400000000, 0.0001793600000000 ] - [ 0.0177543300000000, 0.0000000000000000, -0.0064099000000000 ] - [ 0.0041151800000000, -0.0017783000000000, 0.0005353700000000 ] - [ 0.0041151800000000, 0.0017783000000000, 0.0005353700000000 ] - [ 0.0055087800000000, -0.0012717800000000, -0.0064698100000000 ] - [ 0.0055087800000000, 0.0012717800000000, -0.0064698100000000 ] - [ 0.0054678400000000, 0.0000000000000000, -0.0057263300000000 ] - [ 0.0047237400000000, -0.0154502700000000, -0.0110091400000000 ] - [ 0.0047237400000000, 0.0154502700000000, -0.0110091400000000 ] - [ 0.0044106400000000, 0.0000000000000000, -0.0030775100000000 ] - [ 0.0051802900000000, 0.0011651900000000, -0.0049098300000000 ] - [ 0.0051802900000000, -0.0011651900000000, -0.0049098300000000 ] - [ 0.0051082100000000, 0.0000000000000000, -0.0043198300000000 ] - [ 0.0073823200000000, 0.0028819800000000, 0.0207288200000000 ] - [ 0.0073823200000000, -0.0028819800000000, 0.0207288200000000 ] - [ 0.0070663500000000, 0.0000000000000000, 0.0027940800000000 ] - [ 0.0047468900000000, -0.0008133000000000, -0.0066906600000000 ] - [ 0.0047468900000000, 0.0008133000000000, -0.0066906600000000 ] - [ 0.0047192800000000, 0.0000000000000000, -0.0060686100000000 ] - [ 0.0054086700000000, -0.0037121000000000, -0.0042041300000000 ] - [ 0.0054086700000000, 0.0037121000000000, -0.0042041300000000 ] - [ 0.0052357000000000, 0.0000000000000000, -0.0036128300000000 ] - [ 0.0083879300000000, 0.0004285000000000, 0.0083133600000000 ] - [ 0.0083879300000000, -0.0004285000000000, 0.0083133600000000 ] - [ 0.0068927100000000, 0.0000000000000000, 0.0066307400000000 ] - [ -0.0012322300000000, -0.0024115300000000, 0.0039442200000000 ] - [ -0.0012322300000000, 0.0024115300000000, 0.0039442200000000 ] - [ -0.0001062400000000, 0.0000000000000000, 0.0017833500000000 ] - [ -0.0002848000000000, -0.0000892300000000, 0.0033406700000000 ] - [ -0.0002848000000000, 0.0000892300000000, 0.0033406700000000 ] - [ -0.0003036900000000, 0.0000000000000000, 0.0026336600000000 ] - [ -0.0016473300000000, 0.0021193300000000, 0.0034500500000000 ] - [ -0.0016473300000000, -0.0021193300000000, 0.0034500500000000 ] - [ -0.0008147200000000, 0.0000000000000000, 0.0015370200000000 ] - [ -0.0000120800000000, -0.0000839100000000, 0.0034265300000000 ] - [ -0.0000120800000000, 0.0000839100000000, 0.0034265300000000 ] - [ -0.0000048700000000, 0.0000000000000000, 0.0027230000000000 ] - [ 0.0006839800000000, 0.0019989700000000, 0.0036375700000000 ] - [ 0.0006839800000000, -0.0019989700000000, 0.0036375700000000 ] - [ -0.0001607100000000, 0.0000000000000000, 0.0017596400000000 ] - [ -0.0123695000000000, 0.0143442800000000, 0.0001474800000000 ] - [ -0.0123695000000000, -0.0143442800000000, 0.0001474800000000 ] - [ -0.0000276700000000, 0.0000000000000000, -0.0026241300000000 ] - [ 0.0123984400000000, 0.0147200500000000, -0.0012828400000000 ] - [ 0.0123984400000000, -0.0147200500000000, -0.0012828400000000 ] - [ -0.0004499500000000, 0.0000000000000000, -0.0025103400000000 ] - [ -0.0237324300000000, 0.0000000000000000, -0.0284836200000000 ] - [ -0.0088505300000000, 0.0001635600000000, -0.0144828200000000 ] - [ -0.0088505300000000, -0.0001635600000000, -0.0144828200000000 ] - [ -0.0215969700000000, 0.0000000000000000, 0.0949512000000000 ] - [ -0.0105760900000000, 0.0151577200000000, 0.0028496200000000 ] - [ -0.0105760900000000, -0.0151577200000000, 0.0028496200000000 ] - [ -0.0017322200000000, 0.0000000000000000, 0.0074415000000000 ] - [ -0.0037077100000000, 0.0048088500000000, 0.0060467100000000 ] - [ -0.0037077100000000, -0.0048088500000000, 0.0060467100000000 ] - [ -0.0043552200000000, 0.0000000000000000, 0.0204916000000000 ] - [ -0.0050545500000000, 0.0013704300000000, 0.0124561100000000 ] - [ -0.0050545500000000, -0.0013704300000000, 0.0124561100000000 ] - [ -0.0061694300000000, 0.0000000000000000, 0.0161417100000000 ] - [ -0.0061980900000000, -0.0007615800000000, 0.0118744600000000 ] - [ -0.0061980900000000, 0.0007615800000000, 0.0118744600000000 ] - [ -0.0072936500000000, 0.0000000000000000, 0.0191437100000000 ] - [ -0.0074291100000000, -0.0010009100000000, 0.0124717500000000 ] - [ -0.0074291100000000, 0.0010009100000000, 0.0124717500000000 ] - [ -0.0071419200000000, 0.0000000000000000, 0.0147497300000000 ] - [ -0.0070890400000000, 0.0010027100000000, 0.0097113500000000 ] - [ -0.0070890400000000, -0.0010027100000000, 0.0097113500000000 ] - [ -0.0105327700000000, 0.0000000000000000, 0.0729118100000000 ] - [ -0.0069387200000000, -0.0106692500000000, 0.0039200000000000 ] - [ -0.0069387200000000, 0.0106692500000000, 0.0039200000000000 ] - [ -0.0054677500000000, 0.0000000000000000, -0.1887259200000000 ] - [ -0.0093718400000000, 0.0007836500000000, -0.0105249300000000 ] - [ -0.0093718400000000, -0.0007836500000000, -0.0105249300000000 ] - [ -0.0058613100000000, 0.0000000000000000, 0.0054062900000000 ] - [ -0.0069549400000000, -0.0032630600000000, 0.0049005100000000 ] - [ -0.0069549400000000, 0.0032630600000000, 0.0049005100000000 ]- atom: 145 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0011607700000000, 0.0012963500000000, -0.0020479700000000 ] - [ -0.0011607700000000, -0.0012963500000000, -0.0020479700000000 ] - [ -0.0007193200000000, 0.0000000000000000, -0.0009511600000000 ] - [ -0.0068261500000000, 0.0075106400000000, 0.0016066400000000 ] - [ -0.0068261500000000, -0.0075106400000000, 0.0016066400000000 ] - [ -0.0004344700000000, 0.0000000000000000, 0.0015418000000000 ] - [ 0.0063728100000000, 0.0077964600000000, 0.0008443400000000 ] - [ 0.0063728100000000, -0.0077964600000000, 0.0008443400000000 ] - [ 0.0001197400000000, 0.0000000000000000, 0.0019449200000000 ] - [ 0.0046893200000000, -0.0018067000000000, -0.0006152900000000 ] - [ 0.0046893200000000, 0.0018067000000000, -0.0006152900000000 ] - [ 0.0045844400000000, 0.0000000000000000, -0.0014058400000000 ] - [ 0.0079924400000000, -0.0201746400000000, 0.0035861400000000 ] - [ 0.0079924400000000, 0.0201746400000000, 0.0035861400000000 ] - [ 0.0090752100000000, 0.0000000000000000, -0.0033337700000000 ] - [ 0.0015651500000000, -0.0054294200000000, -0.0072597600000000 ] - [ 0.0015651500000000, 0.0054294200000000, -0.0072597600000000 ] - [ 0.0013572000000000, 0.0000000000000000, -0.0074258100000000 ] - [ -0.0007063500000000, 0.0000000000000000, 0.0087441900000000 ] - [ -0.0006458500000000, 0.0000466900000000, 0.0049656700000000 ] - [ -0.0006458500000000, -0.0000466900000000, 0.0049656700000000 ] - [ 0.0032097100000000, 0.0000000000000000, 0.0034497200000000 ] - [ 0.0024664600000000, 0.0002718200000000, 0.0018955000000000 ] - [ 0.0024664600000000, -0.0002718200000000, 0.0018955000000000 ] - [ -0.0000483300000000, 0.0000000000000000, 0.0068821100000000 ] - [ -0.0005228000000000, 0.0006958100000000, 0.0011390300000000 ] - [ -0.0005228000000000, -0.0006958100000000, 0.0011390300000000 ] - [ 0.0013911800000000, 0.0000000000000000, 0.0037469200000000 ] - [ 0.0017196600000000, 0.0003449400000000, 0.0020624800000000 ] - [ 0.0017196600000000, -0.0003449400000000, 0.0020624800000000 ] - [ -0.0021953100000000, 0.0000000000000000, 0.0204944300000000 ] - [ 0.0001200700000000, 0.0020158400000000, 0.0040484300000000 ] - [ 0.0001200700000000, -0.0020158400000000, 0.0040484300000000 ] - [ 0.0018728200000000, 0.0000000000000000, 0.0032674700000000 ] - [ 0.0021528100000000, -0.0003197300000000, 0.0018392500000000 ] - [ 0.0021528100000000, 0.0003197300000000, 0.0018392500000000 ] - [ 0.0004439400000000, 0.0000000000000000, 0.0068161400000000 ] - [ 0.0004114800000000, 0.0000297000000000, 0.0042882300000000 ] - [ 0.0004114800000000, -0.0000297000000000, 0.0042882300000000 ] - [ -0.0063254300000000, 0.0000000000000000, -0.0366634000000000 ] - [ -0.0010287000000000, -0.0017195300000000, -0.0093212200000000 ] - [ -0.0010287000000000, 0.0017195300000000, -0.0093212200000000 ] - [ -0.0099591300000000, 0.0000000000000000, 0.0076791900000000 ] - [ 0.0013366500000000, -0.0017729100000000, 0.0004008000000000 ] - [ 0.0013366500000000, 0.0017729100000000, 0.0004008000000000 ] - [ -0.0006029900000000, 0.0000000000000000, 0.0067853900000000 ] - [ -0.0005684400000000, -0.0006163200000000, 0.0020612900000000 ] - [ -0.0005684400000000, 0.0006163200000000, 0.0020612900000000 ] - [ 0.0032913700000000, 0.0000000000000000, 0.0036862600000000 ] - [ 0.0029412400000000, -0.0002984300000000, 0.0023414700000000 ] - [ 0.0029412400000000, 0.0002984300000000, 0.0023414700000000 ] - [ 0.0008713500000000, 0.0000000000000000, 0.0165234700000000 ] - [ 0.0001103400000000, -0.0018421900000000, 0.0035807100000000 ] - [ 0.0001103400000000, 0.0018421900000000, 0.0035807100000000 ] - [ 0.0067195400000000, 0.0000000000000000, -0.0226166100000000 ] - [ 0.0030637500000000, -0.0003454100000000, -0.0035881000000000 ] - [ 0.0030637500000000, 0.0003454100000000, -0.0035881000000000 ] - [ -0.0009415200000000, 0.0000000000000000, -0.0127868600000000 ] - [ 0.0002228900000000, -0.0015345800000000, -0.0069183700000000 ] - [ 0.0002228900000000, 0.0015345800000000, -0.0069183700000000 ] - [ 0.0176428400000000, 0.0000000000000000, 0.0076129200000000 ] - [ 0.0031063100000000, 0.0015481000000000, -0.0003050800000000 ] - [ 0.0031063100000000, -0.0015481000000000, -0.0003050800000000 ] - [ 0.0023947100000000, 0.0000000000000000, -0.0138407500000000 ] - [ 0.0009443800000000, 0.0006548300000000, -0.0076067700000000 ] - [ 0.0009443800000000, -0.0006548300000000, -0.0076067700000000 ] - [ -0.0027895500000000, 0.0000000000000000, -0.0191937000000000 ] - [ 0.0020242800000000, -0.0000026900000000, -0.0029259600000000 ] - [ 0.0020242800000000, 0.0000026900000000, -0.0029259600000000 ] - [ -0.0067291900000000, 0.0000000000000000, -0.0003060100000000 ] - [ -0.0001815900000000, 0.0018896600000000, -0.0110785700000000 ] - [ -0.0001815900000000, -0.0018896600000000, -0.0110785700000000 ] - [ 0.0146665100000000, 0.0000000000000000, 0.0076352600000000 ] - [ 0.0035990100000000, -0.0016821400000000, 0.0001863800000000 ] - [ 0.0035990100000000, 0.0016821400000000, 0.0001863800000000 ] - [ -0.0127648400000000, 0.0000000000000000, 0.0068579000000000 ] - [ 0.0007211300000000, 0.0017617000000000, -0.0000045100000000 ] - [ 0.0007211300000000, -0.0017617000000000, -0.0000045100000000 ] - [ 0.0055451900000000, 0.0012692800000000, -0.0004749200000000 ] - [ 0.0055451900000000, -0.0012692800000000, -0.0004749200000000 ] - [ 0.0055861100000000, 0.0000000000000000, -0.0012187400000000 ] - [ 0.0045732000000000, 0.0154882700000000, 0.0042470000000000 ] - [ 0.0045732000000000, -0.0154882700000000, 0.0042470000000000 ] - [ 0.0048895700000000, 0.0000000000000000, -0.0037620700000000 ] - [ 0.0047151700000000, -0.0011587200000000, -0.0002595200000000 ] - [ 0.0047151700000000, 0.0011587200000000, -0.0002595200000000 ] - [ 0.0047861100000000, 0.0000000000000000, -0.0008449400000000 ] - [ 0.0064849400000000, -0.0023931300000000, -0.0221196400000000 ] - [ 0.0064849400000000, 0.0023931300000000, -0.0221196400000000 ] - [ 0.0067891100000000, 0.0000000000000000, -0.0041311700000000 ] - [ 0.0046923100000000, 0.0008124200000000, -0.0019849900000000 ] - [ 0.0046923100000000, -0.0008124200000000, -0.0019849900000000 ] - [ 0.0047202800000000, 0.0000000000000000, -0.0026077700000000 ] - [ 0.0049990600000000, 0.0037099900000000, -0.0038039200000000 ] - [ 0.0049990600000000, -0.0037099900000000, -0.0038039200000000 ] - [ 0.0051695200000000, 0.0000000000000000, -0.0043921100000000 ] - [ 0.0053887900000000, -0.0004850600000000, 0.0004263700000000 ] - [ 0.0053887900000000, 0.0004850600000000, 0.0004263700000000 ] - [ 0.0068650200000000, 0.0000000000000000, 0.0021078500000000 ] - [ 0.0020811100000000, 0.0023939300000000, -0.0037034000000000 ] - [ 0.0020811100000000, -0.0023939300000000, -0.0037034000000000 ] - [ 0.0009667800000000, 0.0000000000000000, -0.0015644900000000 ] - [ -0.0003205700000000, 0.0000865400000000, -0.0031510100000000 ] - [ -0.0003205700000000, -0.0000865400000000, -0.0031510100000000 ] - [ -0.0003009900000000, 0.0000000000000000, -0.0024462300000000 ] - [ 0.0008580200000000, -0.0021198100000000, -0.0037824700000000 ] - [ 0.0008580200000000, 0.0021198100000000, -0.0037824700000000 ] - [ 0.0000204600000000, 0.0000000000000000, -0.0018637100000000 ] - [ -0.0000598200000000, 0.0000831700000000, -0.0033167900000000 ] - [ -0.0000598200000000, -0.0000831700000000, -0.0033167900000000 ] - [ -0.0000664500000000, 0.0000000000000000, -0.0026158500000000 ] - [ -0.0018488700000000, -0.0020005500000000, -0.0035558200000000 ] - [ -0.0018488700000000, 0.0020005500000000, -0.0035558200000000 ] - [ -0.0009996400000000, 0.0000000000000000, -0.0016706500000000 ] - [ 0.0126810400000000, -0.0144589300000000, -0.0000641300000000 ] - [ 0.0126810400000000, 0.0144589300000000, -0.0000641300000000 ] - [ 0.0001985700000000, 0.0000000000000000, 0.0026904100000000 ] - [ -0.0137379700000000, -0.0148697800000000, 0.0009735200000000 ] - [ -0.0137379700000000, 0.0148697800000000, 0.0009735200000000 ] - [ -0.0007529200000000, 0.0000000000000000, 0.0021927600000000 ] - [ 0.0046518400000000, 0.0000000000000000, 0.0217571800000000 ] - [ -0.0100310000000000, -0.0001964200000000, 0.0078279000000000 ] - [ -0.0100310000000000, 0.0001964200000000, 0.0078279000000000 ] - [ -0.0009151300000000, 0.0000000000000000, -0.0834600600000000 ] - [ -0.0117761300000000, -0.0150173200000000, 0.0074502400000000 ] - [ -0.0117761300000000, 0.0150173200000000, 0.0074502400000000 ] - [ -0.0052119600000000, 0.0000000000000000, 0.0094590400000000 ] - [ -0.0032238500000000, -0.0047743900000000, 0.0108983000000000 ] - [ -0.0032238500000000, 0.0047743900000000, 0.0108983000000000 ] - [ -0.0075829200000000, 0.0000000000000000, -0.0105853600000000 ] - [ -0.0068786900000000, -0.0013641800000000, -0.0025947700000000 ] - [ -0.0068786900000000, 0.0013641800000000, -0.0025947700000000 ] - [ -0.0066240400000000, 0.0000000000000000, -0.0045705500000000 ] - [ -0.0065915800000000, 0.0007607200000000, -0.0003197600000000 ] - [ -0.0065915800000000, -0.0007607200000000, -0.0003197600000000 ] - [ -0.0077506600000000, 0.0000000000000000, -0.0095478900000000 ] - [ -0.0076154500000000, 0.0010022500000000, -0.0028879600000000 ] - [ -0.0076154500000000, -0.0010022500000000, -0.0028879600000000 ] - [ -0.0063748500000000, 0.0000000000000000, -0.0074206100000000 ] - [ -0.0064270700000000, -0.0009934000000000, -0.0024153700000000 ] - [ -0.0064270700000000, 0.0009934000000000, -0.0024153700000000 ] - [ -0.0033619600000000, 0.0000000000000000, -0.0642845700000000 ] - [ -0.0069710900000000, 0.0107004700000000, 0.0051117100000000 ] - [ -0.0069710900000000, -0.0107004700000000, 0.0051117100000000 ] - [ -0.0118436600000000, 0.0000000000000000, 0.1954695400000000 ] - [ -0.0081722100000000, -0.0010075700000000, 0.0154909100000000 ] - [ -0.0081722100000000, 0.0010075700000000, 0.0154909100000000 ] - [ -0.0081673600000000, 0.0000000000000000, 0.0049876900000000 ] - [ -0.0070478800000000, 0.0032626400000000, 0.0054228100000000 ] - [ -0.0070478800000000, -0.0032626400000000, 0.0054228100000000 ]- atom: 148 displacement: [ 0.0099999999832656, 0.0000000000000000, 0.0000005785227095 ] forces: - [ -0.0005341800000000, -0.0000052900000000, 0.0000046500000000 ] - [ -0.0005341800000000, 0.0000052900000000, 0.0000046500000000 ] - [ -0.0005328000000000, 0.0000000000000000, -0.0000121200000000 ] - [ -0.0001544900000000, -0.0000578400000000, 0.0000540100000000 ] - [ -0.0001544900000000, 0.0000578400000000, 0.0000540100000000 ] - [ -0.0001332200000000, 0.0000000000000000, 0.0000260400000000 ] - [ -0.0001302800000000, -0.0000478500000000, 0.0004294100000000 ] - [ -0.0001302800000000, 0.0000478500000000, 0.0004294100000000 ] - [ -0.0001393600000000, 0.0000000000000000, 0.0003650700000000 ] - [ 0.0044795600000000, -0.0000312100000000, -0.0037909800000000 ] - [ 0.0044795600000000, 0.0000312100000000, -0.0037909800000000 ] - [ 0.0044684700000000, 0.0000000000000000, -0.0037571300000000 ] - [ 0.0096483300000000, 0.0000930900000000, -0.0035285700000000 ] - [ 0.0096483300000000, -0.0000930900000000, -0.0035285700000000 ] - [ 0.0096439600000000, 0.0000000000000000, -0.0035080000000000 ] - [ 0.0013650500000000, 0.0001203700000000, -0.0073223400000000 ] - [ 0.0013650500000000, -0.0001203700000000, -0.0073223400000000 ] - [ 0.0013724500000000, 0.0000000000000000, -0.0072917900000000 ] - [ -0.0008323100000000, 0.0000000000000000, -0.0015955200000000 ] - [ -0.0007258600000000, 0.0000028900000000, -0.0013930700000000 ] - [ -0.0007258600000000, -0.0000028900000000, -0.0013930700000000 ] - [ 0.0019545600000000, 0.0000000000000000, 0.0000992300000000 ] - [ 0.0019408200000000, 0.0000076500000000, 0.0001885400000000 ] - [ 0.0019408200000000, -0.0000076500000000, 0.0001885400000000 ] - [ -0.0003653000000000, 0.0000000000000000, -0.0024676800000000 ] - [ -0.0003196000000000, -0.0000078800000000, -0.0022617900000000 ] - [ -0.0003196000000000, 0.0000078800000000, -0.0022617900000000 ] - [ 0.0019373200000000, 0.0000000000000000, -0.0001247500000000 ] - [ 0.0019678500000000, 0.0000246900000000, -0.0000145800000000 ] - [ 0.0019678500000000, -0.0000246900000000, -0.0000145800000000 ] - [ -0.0000018500000000, 0.0000000000000000, -0.0017344600000000 ] - [ -0.0000525200000000, -0.0000060800000000, -0.0015578900000000 ] - [ -0.0000525200000000, 0.0000060800000000, -0.0015578900000000 ] - [ 0.0007417200000000, 0.0000000000000000, -0.0009462500000000 ] - [ 0.0020043100000000, 0.0005152700000000, -0.0005544700000000 ] - [ 0.0020043100000000, -0.0005152700000000, -0.0005544700000000 ] - [ 0.0003756500000000, 0.0000000000000000, -0.0022344700000000 ] - [ 0.0004171700000000, 0.0001065800000000, -0.0014984700000000 ] - [ 0.0004171700000000, -0.0001065800000000, -0.0014984700000000 ] - [ -0.0155459500000000, 0.0000000000000000, -0.0042481500000000 ] - [ -0.0013404700000000, -0.0004209400000000, -0.0016977900000000 ] - [ -0.0013404700000000, 0.0004209400000000, -0.0016977900000000 ] - [ -0.0299207400000000, 0.0000000000000000, -0.0021078000000000 ] - [ 0.0017534800000000, 0.0004068300000000, 0.0004522300000000 ] - [ 0.0017534800000000, -0.0004068300000000, 0.0004522300000000 ] - [ 0.0171680700000000, 0.0000000000000000, 0.0002574200000000 ] - [ 0.0001720400000000, 0.0004053900000000, -0.0013859100000000 ] - [ 0.0001720400000000, -0.0004053900000000, -0.0013859100000000 ] - [ 0.0036355900000000, 0.0000000000000000, 0.0001657800000000 ] - [ 0.0029563900000000, -0.0006268000000000, 0.0011300600000000 ] - [ 0.0029563900000000, 0.0006268000000000, 0.0011300600000000 ] - [ -0.0158681700000000, 0.0000000000000000, -0.0013966700000000 ] - [ -0.0005428000000000, -0.0001405800000000, -0.0013667900000000 ] - [ -0.0005428000000000, 0.0001405800000000, -0.0013667900000000 ] - [ 0.0028118600000000, 0.0000000000000000, 0.0002879800000000 ] - [ 0.0028502500000000, 0.0005973200000000, 0.0003824100000000 ] - [ 0.0028502500000000, -0.0005973200000000, 0.0003824100000000 ] - [ 0.0145822900000000, 0.0000000000000000, -0.0037228400000000 ] - [ 0.0003970500000000, 0.0000343100000000, -0.0006937400000000 ] - [ 0.0003970500000000, -0.0000343100000000, -0.0006937400000000 ] - [ 0.0014662400000000, 0.0000000000000000, -0.0003160800000000 ] - [ 0.0014169100000000, -0.0000142200000000, -0.0002356300000000 ] - [ 0.0014169100000000, 0.0000142200000000, -0.0002356300000000 ] - [ 0.0009058700000000, 0.0000000000000000, -0.0014508800000000 ] - [ 0.0004753700000000, -0.0000802100000000, -0.0006082800000000 ] - [ 0.0004753700000000, 0.0000802100000000, -0.0006082800000000 ] - [ 0.0020632700000000, 0.0000000000000000, -0.0000897800000000 ] - [ 0.0025435500000000, -0.0004190200000000, -0.0004600300000000 ] - [ 0.0025435500000000, 0.0004190200000000, -0.0004600300000000 ] - [ -0.0003587000000000, 0.0000000000000000, -0.0027159500000000 ] - [ -0.0001796600000000, -0.0000544600000000, -0.0021899500000000 ] - [ -0.0001796600000000, 0.0000544600000000, -0.0021899500000000 ] - [ 0.0540841900000000, 0.0000000000000000, -0.0012106200000000 ] - [ 0.0029951900000000, 0.0002250100000000, 0.0002082000000000 ] - [ 0.0029951900000000, -0.0002250100000000, 0.0002082000000000 ] - [ 0.0023395500000000, 0.0000000000000000, 0.0001219000000000 ] - [ 0.0024122900000000, -0.0000149200000000, 0.0001975200000000 ] - [ 0.0024122900000000, 0.0000149200000000, 0.0001975200000000 ] - [ 0.0047215300000000, -0.0001331300000000, -0.0032138100000000 ] - [ 0.0047215300000000, 0.0001331300000000, -0.0032138100000000 ] - [ 0.0053796600000000, 0.0000000000000000, -0.0034359000000000 ] - [ -0.0106741400000000, 0.0001514900000000, -0.0035984600000000 ] - [ -0.0106741400000000, -0.0001514900000000, -0.0035984600000000 ] - [ 0.0042534100000000, 0.0000000000000000, -0.0033098300000000 ] - [ 0.0049632800000000, -0.0000499900000000, -0.0027081700000000 ] - [ 0.0049632800000000, 0.0000499900000000, -0.0027081700000000 ] - [ 0.0049687700000000, 0.0000000000000000, -0.0026836500000000 ] - [ 0.0061128900000000, 0.0004387200000000, -0.0008344200000000 ] - [ 0.0061128900000000, -0.0004387200000000, -0.0008344200000000 ] - [ 0.0067864900000000, 0.0000000000000000, -0.0006878000000000 ] - [ 0.0055069300000000, -0.0009446500000000, -0.0049040300000000 ] - [ 0.0055069300000000, 0.0009446500000000, -0.0049040300000000 ] - [ 0.0048667700000000, 0.0000000000000000, -0.0044695800000000 ] - [ 0.0228043800000000, 0.0032030400000000, -0.0039923000000000 ] - [ 0.0228043800000000, -0.0032030400000000, -0.0039923000000000 ] - [ 0.0056075400000000, 0.0000000000000000, -0.0038698200000000 ] - [ 0.0074858300000000, 0.0009285100000000, 0.0041223100000000 ] - [ 0.0074858300000000, -0.0009285100000000, 0.0041223100000000 ] - [ 0.0070443800000000, 0.0000000000000000, 0.0044623000000000 ] - [ 0.0004302800000000, -0.0000174900000000, 0.0002452500000000 ] - [ 0.0004302800000000, 0.0000174900000000, 0.0002452500000000 ] - [ 0.0004262700000000, 0.0000000000000000, 0.0002095000000000 ] - [ -0.0002218000000000, 0.0000883600000000, 0.0002974400000000 ] - [ -0.0002218000000000, -0.0000883600000000, 0.0002974400000000 ] - [ -0.0002646300000000, 0.0000000000000000, 0.0002297900000000 ] - [ 0.0043030600000000, 0.0106054600000000, 0.0101667600000000 ] - [ 0.0043030600000000, -0.0106054600000000, 0.0101667600000000 ] - [ -0.0002964100000000, 0.0000000000000000, -0.0002429200000000 ] - [ -0.0001102400000000, 0.0001241400000000, 0.0000777500000000 ] - [ -0.0001102400000000, -0.0001241400000000, 0.0000777500000000 ] - [ -0.0000569100000000, 0.0000000000000000, 0.0000083900000000 ] - [ 0.0026314000000000, -0.0127066300000000, -0.0131199800000000 ] - [ 0.0026314000000000, 0.0127066300000000, -0.0131199800000000 ] - [ -0.0006741500000000, 0.0000000000000000, 0.0000762600000000 ] - [ 0.0039462800000000, 0.0105986800000000, -0.0107839900000000 ] - [ 0.0039462800000000, -0.0105986800000000, -0.0107839900000000 ] - [ 0.0001360600000000, 0.0000000000000000, -0.0001197600000000 ] - [ 0.0037696900000000, -0.0134792900000000, 0.0119662700000000 ] - [ 0.0037696900000000, 0.0134792900000000, 0.0119662700000000 ] - [ -0.0006562500000000, 0.0000000000000000, -0.0003804700000000 ] - [ -0.0115949600000000, 0.0000000000000000, -0.0008120600000000 ] - [ -0.0103680100000000, 0.0006607200000000, -0.0036286800000000 ] - [ -0.0103680100000000, -0.0006607200000000, -0.0036286800000000 ] - [ -0.0112796300000000, 0.0000000000000000, 0.0057625900000000 ] - [ -0.0111931800000000, 0.0000749100000000, 0.0054578500000000 ] - [ -0.0111931800000000, -0.0000749100000000, 0.0054578500000000 ] - [ -0.0033044000000000, 0.0000000000000000, 0.0093899000000000 ] - [ -0.0034296900000000, 0.0000972700000000, 0.0088300500000000 ] - [ -0.0034296900000000, -0.0000972700000000, 0.0088300500000000 ] - [ -0.0059690400000000, 0.0000000000000000, 0.0054221100000000 ] - [ -0.0059262500000000, -0.0000325500000000, 0.0051335700000000 ] - [ -0.0059262500000000, 0.0000325500000000, 0.0051335700000000 ] - [ -0.0078050800000000, 0.0000000000000000, 0.0107756600000000 ] - [ -0.0072413100000000, -0.0005662100000000, 0.0060660800000000 ] - [ -0.0072413100000000, 0.0005662100000000, 0.0060660800000000 ] - [ -0.0060228600000000, 0.0000000000000000, 0.0043113000000000 ] - [ -0.0067140000000000, 0.0000592000000000, 0.0046709900000000 ] - [ -0.0067140000000000, -0.0000592000000000, 0.0046709900000000 ] - [ -0.0067447600000000, 0.0000000000000000, 0.0042905000000000 ] - [ -0.0067933800000000, -0.0000365200000000, 0.0039869600000000 ] - [ -0.0067933800000000, 0.0000365200000000, 0.0039869600000000 ] - [ 0.1317925100000000, 0.0000000000000000, 0.0103626400000000 ] - [ -0.0058504500000000, 0.0004681700000000, 0.0041864800000000 ] - [ -0.0058504500000000, -0.0004681700000000, 0.0041864800000000 ] - [ -0.0071680100000000, 0.0000000000000000, 0.0036986600000000 ] - [ -0.0079547300000000, 0.0003931100000000, 0.0025559700000000 ] - [ -0.0079547300000000, -0.0003931100000000, 0.0025559700000000 ] - [ -0.2008970200000000, 0.0000000000000000, 0.0041809300000000 ] - [ -0.0082043000000000, -0.0024253500000000, 0.0047527900000000 ] - [ -0.0082043000000000, 0.0024253500000000, 0.0047527900000000 ]- atom: 148 displacement: [ -0.0099999999832656, 0.0000000000000000, -0.0000005785227095 ] forces: - [ -0.0005357800000000, 0.0000060400000000, -0.0001343000000000 ] - [ -0.0005357800000000, -0.0000060400000000, -0.0001343000000000 ] - [ -0.0005373300000000, 0.0000000000000000, -0.0001173900000000 ] - [ -0.0001094300000000, 0.0000566400000000, 0.0000658600000000 ] - [ -0.0001094300000000, -0.0000566400000000, 0.0000658600000000 ] - [ -0.0001310200000000, 0.0000000000000000, 0.0000917800000000 ] - [ -0.0001819400000000, 0.0000479800000000, 0.0001932200000000 ] - [ -0.0001819400000000, -0.0000479800000000, 0.0001932200000000 ] - [ -0.0001725200000000, 0.0000000000000000, 0.0002566600000000 ] - [ 0.0044948900000000, 0.0000280100000000, -0.0036103800000000 ] - [ 0.0044948900000000, -0.0000280100000000, -0.0036103800000000 ] - [ 0.0045062600000000, 0.0000000000000000, -0.0036428700000000 ] - [ 0.0096246700000000, -0.0000932900000000, -0.0033629900000000 ] - [ 0.0096246700000000, 0.0000932900000000, -0.0033629900000000 ] - [ 0.0096291900000000, 0.0000000000000000, -0.0033837600000000 ] - [ 0.0013928900000000, -0.0001189100000000, -0.0071099200000000 ] - [ 0.0013928900000000, 0.0001189100000000, -0.0071099200000000 ] - [ 0.0013856200000000, 0.0000000000000000, -0.0071395900000000 ] - [ -0.0004519600000000, 0.0000000000000000, -0.0010139900000000 ] - [ -0.0005675600000000, -0.0000024700000000, -0.0012059700000000 ] - [ -0.0005675600000000, 0.0000024700000000, -0.0012059700000000 ] - [ 0.0019892200000000, 0.0000000000000000, 0.0004108100000000 ] - [ 0.0019964700000000, -0.0000069400000000, 0.0003233600000000 ] - [ 0.0019964700000000, 0.0000069400000000, 0.0003233600000000 ] - [ -0.0002678400000000, 0.0000000000000000, -0.0015009300000000 ] - [ -0.0003185700000000, 0.0000081700000000, -0.0017017700000000 ] - [ -0.0003185700000000, -0.0000081700000000, -0.0017017700000000 ] - [ 0.0019585400000000, 0.0000000000000000, 0.0002310700000000 ] - [ 0.0019283800000000, -0.0000236500000000, 0.0001228700000000 ] - [ 0.0019283800000000, 0.0000236500000000, 0.0001228700000000 ] - [ -0.0000965500000000, 0.0000000000000000, -0.0009315800000000 ] - [ -0.0000469000000000, 0.0000063700000000, -0.0011038100000000 ] - [ -0.0000469000000000, -0.0000063700000000, -0.0011038100000000 ] - [ 0.0037813600000000, 0.0000000000000000, 0.0007503500000000 ] - [ 0.0025464100000000, -0.0005204900000000, 0.0003765500000000 ] - [ 0.0025464100000000, 0.0005204900000000, 0.0003765500000000 ] - [ 0.0003212100000000, 0.0000000000000000, -0.0002522600000000 ] - [ 0.0002693100000000, -0.0001027600000000, -0.0009780100000000 ] - [ 0.0002693100000000, 0.0001027600000000, -0.0009780100000000 ] - [ 0.0146073400000000, 0.0000000000000000, 0.0002951200000000 ] - [ 0.0003318800000000, 0.0004051100000000, -0.0021915100000000 ] - [ 0.0003318800000000, -0.0004051100000000, -0.0021915100000000 ] - [ 0.0324117400000000, 0.0000000000000000, 0.0034015600000000 ] - [ 0.0031861900000000, -0.0004086700000000, 0.0006359900000000 ] - [ 0.0031861900000000, 0.0004086700000000, 0.0006359900000000 ] - [ -0.0178941200000000, 0.0000000000000000, -0.0019135800000000 ] - [ -0.0011345500000000, -0.0003897500000000, -0.0009519300000000 ] - [ -0.0011345500000000, 0.0003897500000000, -0.0009519300000000 ] - [ 0.0016498800000000, 0.0000000000000000, 0.0006756700000000 ] - [ 0.0022645900000000, 0.0006231000000000, -0.0002410200000000 ] - [ 0.0022645900000000, -0.0006231000000000, -0.0002410200000000 ] - [ 0.0162188000000000, 0.0000000000000000, -0.0015766100000000 ] - [ 0.0008087000000000, 0.0001300100000000, -0.0016387500000000 ] - [ 0.0008087000000000, -0.0001300100000000, -0.0016387500000000 ] - [ 0.0030263200000000, 0.0000000000000000, -0.0009962800000000 ] - [ 0.0030128300000000, -0.0006112900000000, -0.0010946800000000 ] - [ 0.0030128300000000, 0.0006112900000000, -0.0010946800000000 ] - [ -0.0150059000000000, 0.0000000000000000, 0.0003005500000000 ] - [ -0.0009645300000000, -0.0000233200000000, -0.0021028100000000 ] - [ -0.0009645300000000, 0.0000233200000000, -0.0021028100000000 ] - [ 0.0013680100000000, 0.0000000000000000, -0.0000511900000000 ] - [ 0.0014122200000000, 0.0000141700000000, -0.0001310100000000 ] - [ 0.0014122200000000, -0.0000141700000000, -0.0001310100000000 ] - [ -0.0000584300000000, 0.0000000000000000, 0.0005104600000000 ] - [ 0.0003598400000000, 0.0000814500000000, -0.0003015400000000 ] - [ 0.0003598400000000, -0.0000814500000000, -0.0003015400000000 ] - [ 0.0026712600000000, 0.0000000000000000, -0.0002241200000000 ] - [ 0.0021617700000000, 0.0004156100000000, 0.0001269600000000 ] - [ 0.0021617700000000, -0.0004156100000000, 0.0001269600000000 ] - [ 0.0001162000000000, 0.0000000000000000, -0.0014192900000000 ] - [ -0.0000704000000000, 0.0000534300000000, -0.0019462100000000 ] - [ -0.0000704000000000, -0.0000534300000000, -0.0019462100000000 ] - [ -0.0410619800000000, 0.0000000000000000, 0.0014228900000000 ] - [ 0.0019391100000000, -0.0001975600000000, 0.0001657900000000 ] - [ 0.0019391100000000, 0.0001975600000000, 0.0001657900000000 ] - [ 0.0024882100000000, 0.0000000000000000, 0.0003983000000000 ] - [ 0.0024161300000000, 0.0000149700000000, 0.0003232800000000 ] - [ 0.0024161300000000, -0.0000149700000000, 0.0003232800000000 ] - [ 0.0063334600000000, 0.0001319100000000, -0.0037086400000000 ] - [ 0.0063334600000000, -0.0001319100000000, -0.0037086400000000 ] - [ 0.0056755800000000, 0.0000000000000000, -0.0034967500000000 ] - [ 0.0200720500000000, -0.0000762800000000, -0.0032063400000000 ] - [ 0.0200720500000000, 0.0000762800000000, -0.0032063400000000 ] - [ 0.0050663000000000, 0.0000000000000000, -0.0034990700000000 ] - [ 0.0049305200000000, 0.0000479300000000, -0.0024549800000000 ] - [ 0.0049305200000000, -0.0000479300000000, -0.0024549800000000 ] - [ 0.0049250300000000, 0.0000000000000000, -0.0024788000000000 ] - [ 0.0077353100000000, -0.0004273900000000, -0.0005239600000000 ] - [ 0.0077353100000000, 0.0004273900000000, -0.0005239600000000 ] - [ 0.0070611600000000, 0.0000000000000000, -0.0006581800000000 ] - [ 0.0039254300000000, 0.0009083600000000, -0.0037841800000000 ] - [ 0.0039254300000000, -0.0009083600000000, -0.0037841800000000 ] - [ 0.0045718100000000, 0.0000000000000000, -0.0042053600000000 ] - [ -0.0121723000000000, -0.0027239500000000, -0.0040174800000000 ] - [ -0.0121723000000000, 0.0027239500000000, -0.0040174800000000 ] - [ 0.0048123200000000, 0.0000000000000000, -0.0041268400000000 ] - [ 0.0062614500000000, -0.0009427900000000, 0.0046211800000000 ] - [ 0.0062614500000000, 0.0009427900000000, 0.0046211800000000 ] - [ 0.0067069900000000, 0.0000000000000000, 0.0042777000000000 ] - [ 0.0004326900000000, 0.0000183700000000, -0.0000255100000000 ] - [ 0.0004326900000000, -0.0000183700000000, -0.0000255100000000 ] - [ 0.0004355800000000, 0.0000000000000000, 0.0000097200000000 ] - [ -0.0003795900000000, -0.0000861200000000, -0.0001169700000000 ] - [ -0.0003795900000000, 0.0000861200000000, -0.0001169700000000 ] - [ -0.0003370400000000, 0.0000000000000000, -0.0000516000000000 ] - [ -0.0050467000000000, -0.0107450000000000, -0.0106664200000000 ] - [ -0.0050467000000000, 0.0107450000000000, -0.0106664200000000 ] - [ -0.0004867400000000, 0.0000000000000000, -0.0000951700000000 ] - [ 0.0000352000000000, -0.0001172400000000, 0.0000238100000000 ] - [ 0.0000352000000000, 0.0001172400000000, 0.0000238100000000 ] - [ -0.0000172400000000, 0.0000000000000000, 0.0000892400000000 ] - [ -0.0038234500000000, 0.0125767900000000, 0.0130523900000000 ] - [ -0.0038234500000000, -0.0125767900000000, 0.0130523900000000 ] - [ -0.0004960800000000, 0.0000000000000000, 0.0000058000000000 ] - [ -0.0037358900000000, -0.0107806400000000, 0.0109984700000000 ] - [ -0.0037358900000000, 0.0107806400000000, 0.0109984700000000 ] - [ 0.0000507700000000, 0.0000000000000000, 0.0001691600000000 ] - [ -0.0049951900000000, 0.0133258300000000, -0.0121581700000000 ] - [ -0.0049951900000000, -0.0133258300000000, -0.0121581700000000 ] - [ -0.0005649500000000, 0.0000000000000000, 0.0000460000000000 ] - [ -0.0072575100000000, 0.0000000000000000, -0.0059182100000000 ] - [ -0.0084977500000000, -0.0006637100000000, -0.0030034300000000 ] - [ -0.0084977500000000, 0.0006637100000000, -0.0030034300000000 ] - [ -0.0110884300000000, 0.0000000000000000, 0.0046208200000000 ] - [ -0.0111707900000000, -0.0000749900000000, 0.0049271600000000 ] - [ -0.0111707900000000, 0.0000749900000000, 0.0049271600000000 ] - [ -0.0036249200000000, 0.0000000000000000, 0.0076182500000000 ] - [ -0.0034948400000000, -0.0000960000000000, 0.0081629000000000 ] - [ -0.0034948400000000, 0.0000960000000000, 0.0081629000000000 ] - [ -0.0059720200000000, 0.0000000000000000, 0.0044204200000000 ] - [ -0.0060096000000000, 0.0000281100000000, 0.0047026400000000 ] - [ -0.0060096000000000, -0.0000281100000000, 0.0047026400000000 ] - [ -0.0049635700000000, 0.0000000000000000, 0.0009678700000000 ] - [ -0.0055497300000000, 0.0005461800000000, 0.0054790900000000 ] - [ -0.0055497300000000, -0.0005461800000000, 0.0054790900000000 ] - [ -0.0090452300000000, 0.0000000000000000, 0.0051703200000000 ] - [ -0.0083323400000000, -0.0000558200000000, 0.0048687100000000 ] - [ -0.0083323400000000, 0.0000558200000000, 0.0048687100000000 ] - [ -0.0067713800000000, 0.0000000000000000, 0.0030028000000000 ] - [ -0.0067203400000000, 0.0000376400000000, 0.0032994900000000 ] - [ -0.0067203400000000, -0.0000376400000000, 0.0032994900000000 ] - [ -0.1467748000000000, 0.0000000000000000, -0.0014810500000000 ] - [ -0.0080965800000000, -0.0003839600000000, 0.0047581500000000 ] - [ -0.0080965800000000, 0.0003839600000000, 0.0047581500000000 ] - [ -0.0103802700000000, 0.0000000000000000, 0.0013906200000000 ] - [ -0.0095741000000000, -0.0003809800000000, 0.0024616400000000 ] - [ -0.0095741000000000, 0.0003809800000000, 0.0024616400000000 ] - [ 0.1808932900000000, 0.0000000000000000, 0.0061162700000000 ] - [ -0.0057786100000000, 0.0022569100000000, 0.0055453300000000 ] - [ -0.0057786100000000, -0.0022569100000000, 0.0055453300000000 ]- atom: 148 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005326700000000, -0.0000896900000000, -0.0000620000000000 ] - [ -0.0005372400000000, -0.0000906900000000, -0.0000654600000000 ] - [ -0.0005350300000000, 0.0001774800000000, -0.0000641800000000 ] - [ -0.0000888600000000, -0.0002770400000000, -0.0002379900000000 ] - [ -0.0001747300000000, -0.0002777500000000, 0.0003573800000000 ] - [ -0.0001322000000000, 0.0005539500000000, 0.0000597500000000 ] - [ -0.0001972900000000, -0.0002746000000000, 0.0000109700000000 ] - [ -0.0001153700000000, -0.0002760200000000, 0.0006137500000000 ] - [ -0.0001557800000000, 0.0005479100000000, 0.0003132800000000 ] - [ 0.0045018200000000, 0.0003849100000000, -0.0038381500000000 ] - [ 0.0044730000000000, 0.0003897300000000, -0.0035649100000000 ] - [ 0.0044875000000000, -0.0007811700000000, -0.0037004400000000 ] - [ 0.0096456200000000, 0.0004322700000000, -0.0033786500000000 ] - [ 0.0096272100000000, 0.0004348300000000, -0.0035128500000000 ] - [ 0.0096365100000000, -0.0008709500000000, -0.0034461800000000 ] - [ 0.0013838200000000, 0.0004725200000000, -0.0071305900000000 ] - [ 0.0013742300000000, 0.0004726200000000, -0.0073022200000000 ] - [ 0.0013790600000000, -0.0010748200000000, -0.0072163900000000 ] - [ -0.0006458400000000, 0.0006495900000000, -0.0013108000000000 ] - [ -0.0006296600000000, -0.0003284500000000, 0.0001901600000000 ] - [ -0.0006632500000000, -0.0003307700000000, -0.0027903000000000 ] - [ 0.0019716300000000, 0.0002189500000000, 0.0002543300000000 ] - [ 0.0020223200000000, -0.0001053100000000, 0.0004741100000000 ] - [ 0.0019144300000000, -0.0001064600000000, 0.0000369500000000 ] - [ -0.0003171800000000, 0.0000769100000000, -0.0019853400000000 ] - [ -0.0003352600000000, -0.0001639400000000, -0.0020645700000000 ] - [ -0.0003025600000000, -0.0001651800000000, -0.0019036300000000 ] - [ 0.0019471800000000, 0.0002785400000000, 0.0000521900000000 ] - [ 0.0018942200000000, -0.0001360800000000, 0.0002828800000000 ] - [ 0.0020025400000000, -0.0001376400000000, -0.0001752500000000 ] - [ -0.0000501800000000, 0.0001825800000000, -0.0013336100000000 ] - [ 0.0000119100000000, -0.0000929200000000, -0.0013984500000000 ] - [ -0.0001113500000000, -0.0000937100000000, -0.0012657700000000 ] - [ 0.0022658500000000, 0.0020981300000000, -0.0001032800000000 ] - [ 0.0033378000000000, -0.0010274200000000, 0.0016514800000000 ] - [ 0.0012194100000000, -0.0010321300000000, -0.0018241500000000 ] - [ 0.0003456200000000, 0.0008658100000000, -0.0012425200000000 ] - [ 0.0005550800000000, -0.0006677300000000, 0.0011967700000000 ] - [ 0.0001316100000000, -0.0006803800000000, -0.0036749600000000 ] - [ -0.0004941800000000, 0.0033633900000000, -0.0019158900000000 ] - [ -0.0008468300000000, -0.0016537300000000, -0.0050136600000000 ] - [ -0.0001637700000000, -0.0016588500000000, 0.0011242200000000 ] - [ 0.0027737400000000, 0.0176124500000000, 0.0005258300000000 ] - [ 0.0144704900000000, -0.0093529100000000, 0.0000263100000000 ] - [ -0.0094185300000000, -0.0092933400000000, 0.0010567400000000 ] - [ -0.0004703100000000, 0.0189319200000000, -0.0008183100000000 ] - [ 0.0000105800000000, -0.0096911100000000, 0.0145088200000000 ] - [ -0.0009665700000000, -0.0096225700000000, -0.0167782300000000 ] - [ 0.0026239900000000, 0.0019755100000000, 0.0004277000000000 ] - [ 0.0018021000000000, -0.0009464500000000, 0.0020384000000000 ] - [ 0.0034137800000000, -0.0009551500000000, -0.0011467400000000 ] - [ 0.0001429000000000, 0.0031707100000000, -0.0015291700000000 ] - [ -0.0001229800000000, -0.0015107700000000, 0.0015466500000000 ] - [ 0.0003888600000000, -0.0015214400000000, -0.0045490800000000 ] - [ 0.0029285100000000, 0.0022445300000000, -0.0003458100000000 ] - [ 0.0040334500000000, -0.0011373300000000, -0.0019095900000000 ] - [ 0.0018447900000000, -0.0011388000000000, 0.0011963100000000 ] - [ -0.0002999800000000, 0.0162450000000000, -0.0017155800000000 ] - [ -0.0005753600000000, -0.0089295600000000, -0.0155911700000000 ] - [ 0.0000081000000000, -0.0088566100000000, 0.0126978900000000 ] - [ 0.0014171100000000, 0.0001280000000000, -0.0001837300000000 ] - [ 0.0014588100000000, -0.0000602900000000, -0.0004017100000000 ] - [ 0.0013713400000000, -0.0000604900000000, 0.0000340000000000 ] - [ 0.0004226200000000, 0.0009521000000000, -0.0004689700000000 ] - [ 0.0007733800000000, -0.0006299700000000, -0.0032064100000000 ] - [ 0.0000648000000000, -0.0006360800000000, 0.0022821000000000 ] - [ 0.0023557900000000, 0.0014522300000000, -0.0001598400000000 ] - [ 0.0014525000000000, -0.0007056600000000, -0.0015244000000000 ] - [ 0.0032421900000000, -0.0007095300000000, 0.0011847300000000 ] - [ -0.0001246600000000, 0.0005224000000000, -0.0020619500000000 ] - [ -0.0001291800000000, -0.0002655900000000, -0.0035538100000000 ] - [ -0.0001210600000000, -0.0002664200000000, -0.0005865000000000 ] - [ 0.0021238200000000, 0.0209304900000000, 0.0001986000000000 ] - [ -0.0107652200000000, -0.0100177700000000, 0.0002816300000000 ] - [ 0.0156037700000000, -0.0099585000000000, 0.0000969800000000 ] - [ 0.0024131100000000, 0.0001738500000000, 0.0002603700000000 ] - [ 0.0023592100000000, -0.0000872300000000, 0.0000220700000000 ] - [ 0.0024685800000000, -0.0000876500000000, 0.0004971600000000 ] - [ 0.0056690700000000, 0.0015925500000000, -0.0051826400000000 ] - [ 0.0053873300000000, 0.0016112500000000, -0.0017438400000000 ] - [ 0.0055274100000000, -0.0031992600000000, -0.0034647600000000 ] - [ 0.0051045400000000, 0.0056956500000000, -0.0035860200000000 ] - [ 0.0042362900000000, 0.0058044300000000, -0.0032147100000000 ] - [ 0.0046550500000000, -0.0126445500000000, -0.0034037600000000 ] - [ 0.0049661500000000, 0.0003897600000000, -0.0027240500000000 ] - [ 0.0049274700000000, 0.0003915800000000, -0.0024412600000000 ] - [ 0.0049468100000000, -0.0009682600000000, -0.0025826000000000 ] - [ 0.0070675000000000, 0.0018431300000000, 0.0009916500000000 ] - [ 0.0067798100000000, 0.0018575400000000, -0.0023472300000000 ] - [ 0.0069229700000000, -0.0036856200000000, -0.0006743800000000 ] - [ 0.0048416900000000, 0.0031331100000000, -0.0064914300000000 ] - [ 0.0045942800000000, 0.0032153600000000, -0.0022235100000000 ] - [ 0.0047186500000000, -0.0072412100000000, -0.0043266900000000 ] - [ 0.0067392900000000, 0.0087196800000000, -0.0055104200000000 ] - [ 0.0034693600000000, 0.0136995700000000, -0.0023342500000000 ] - [ 0.0051969400000000, -0.0319498000000000, -0.0039917800000000 ] - [ 0.0069850500000000, 0.0035934900000000, 0.0058051200000000 ] - [ 0.0067655900000000, 0.0036402000000000, 0.0029443500000000 ] - [ 0.0068772400000000, -0.0078298000000000, 0.0043578600000000 ] - [ 0.0004252800000000, -0.0001944200000000, 0.0001133200000000 ] - [ 0.0004382300000000, -0.0001960000000000, 0.0001070700000000 ] - [ 0.0004311200000000, 0.0003956000000000, 0.0001103400000000 ] - [ -0.0002219400000000, -0.0005644000000000, 0.0007265300000000 ] - [ -0.0003776800000000, -0.0005678800000000, -0.0005422400000000 ] - [ -0.0003011900000000, 0.0011344700000000, 0.0000879700000000 ] - [ 0.0120848900000000, 0.0006143200000000, 0.0132215800000000 ] - [ -0.0130002500000000, 0.0005748800000000, -0.0137192100000000 ] - [ -0.0004010100000000, 0.0058062200000000, -0.0001791100000000 ] - [ -0.0001006000000000, -0.0005666500000000, 0.0007100200000000 ] - [ 0.0000237000000000, -0.0005739200000000, -0.0006054900000000 ] - [ -0.0000367600000000, 0.0011305800000000, 0.0000482300000000 ] - [ -0.0129465200000000, 0.0008315200000000, 0.0130289800000000 ] - [ 0.0119081000000000, 0.0007743400000000, -0.0130767300000000 ] - [ -0.0005772100000000, 0.0062477200000000, 0.0000282700000000 ] - [ 0.0126792500000000, 0.0003713500000000, -0.0128527000000000 ] - [ -0.0126475500000000, 0.0003521000000000, 0.0130483200000000 ] - [ 0.0000858500000000, 0.0053758000000000, 0.0000336400000000 ] - [ -0.0137545200000000, 0.0006246600000000, -0.0126666500000000 ] - [ 0.0127000500000000, 0.0005849300000000, 0.0124467800000000 ] - [ -0.0006016200000000, 0.0059563600000000, -0.0001579100000000 ] - [ -0.0094412100000000, -0.0075730500000000, -0.0033700300000000 ] - [ -0.0105612600000000, 0.0039456800000000, 0.0084217300000000 ] - [ -0.0083146600000000, 0.0039842100000000, -0.0149719500000000 ] - [ -0.0111820900000000, -0.0007477000000000, 0.0051907900000000 ] - [ -0.0113040300000000, 0.0003739200000000, 0.0062070600000000 ] - [ -0.0110603000000000, 0.0003756900000000, 0.0041830500000000 ] - [ -0.0034635100000000, -0.0006771500000000, 0.0085031700000000 ] - [ -0.0032958000000000, 0.0005144600000000, 0.0099358800000000 ] - [ -0.0036280800000000, 0.0005150000000000, 0.0070660400000000 ] - [ -0.0059698300000000, -0.0006677400000000, 0.0049230500000000 ] - [ -0.0060366600000000, 0.0003335900000000, 0.0041818700000000 ] - [ -0.0059000400000000, 0.0003383900000000, 0.0056540000000000 ] - [ -0.0064017500000000, -0.0064382300000000, 0.0058940000000000 ] - [ -0.0063092800000000, 0.0034258100000000, -0.0054586700000000 ] - [ -0.0064794600000000, 0.0034905300000000, 0.0169493500000000 ] - [ -0.0075249200000000, -0.0042430200000000, 0.0047886200000000 ] - [ -0.0078761800000000, 0.0021402300000000, 0.0015263400000000 ] - [ -0.0071736300000000, 0.0021484900000000, 0.0080098300000000 ] - [ -0.0067575600000000, -0.0005559500000000, 0.0036484400000000 ] - [ -0.0067006700000000, 0.0004645100000000, 0.0026062100000000 ] - [ -0.0068128100000000, 0.0004642900000000, 0.0046871600000000 ] - [ -0.0070515100000000, -0.0116335500000000, 0.0044733800000000 ] - [ -0.0069010900000000, 0.0059565000000000, 0.0042924100000000 ] - [ -0.0070473300000000, 0.0060443300000000, 0.0046478400000000 ] - [ -0.0087652500000000, -0.0047222400000000, 0.0024898500000000 ] - [ -0.0088080700000000, 0.0023785000000000, 0.0057733700000000 ] - [ -0.0087196700000000, 0.0023824500000000, -0.0007524100000000 ] - [ -0.0067691200000000, -0.1775054900000000, 0.0049960400000000 ] - [ -0.0046610300000000, 0.0815841700000000, 0.0029968500000000 ] - [ -0.0093449000000000, 0.0810183200000000, 0.0072927300000000 ]- atom: 148 displacement: [ -0.0000086848577793, 0.0000000000000000, 0.0099999962286616 ] forces: - [ -0.0005569900000000, -0.0000212200000000, 0.0014505300000000 ] - [ -0.0005569900000000, 0.0000212200000000, 0.0014505300000000 ] - [ -0.0005516200000000, 0.0000000000000000, 0.0011485000000000 ] - [ -0.0009312800000000, -0.0010032000000000, 0.0015307400000000 ] - [ -0.0009312800000000, 0.0010032000000000, 0.0015307400000000 ] - [ -0.0004018600000000, 0.0000000000000000, 0.0007566200000000 ] - [ 0.0005258600000000, -0.0011314100000000, 0.0020593500000000 ] - [ 0.0005258600000000, 0.0011314100000000, 0.0020593500000000 ] - [ 0.0000566900000000, 0.0000000000000000, 0.0011702800000000 ] - [ 0.0043518700000000, -0.0008777800000000, -0.0057887700000000 ] - [ 0.0043518700000000, 0.0008777800000000, -0.0057887700000000 ] - [ 0.0043304300000000, 0.0000000000000000, -0.0051641300000000 ] - [ 0.0098404400000000, 0.0011030100000000, -0.0052586600000000 ] - [ 0.0098404400000000, -0.0011030100000000, -0.0052586600000000 ] - [ 0.0098439500000000, 0.0000000000000000, -0.0049032000000000 ] - [ 0.0010196400000000, 0.0016883400000000, -0.0097310800000000 ] - [ 0.0010196400000000, -0.0016883400000000, -0.0097310800000000 ] - [ 0.0010862500000000, 0.0000000000000000, -0.0091805200000000 ] - [ -0.0004614700000000, 0.0000000000000000, -0.0082152500000000 ] - [ -0.0006040500000000, 0.0006314200000000, -0.0035885300000000 ] - [ -0.0006040500000000, -0.0006314200000000, -0.0035885300000000 ] - [ 0.0011673600000000, 0.0000000000000000, -0.0024934700000000 ] - [ 0.0015452600000000, 0.0003008200000000, -0.0011848000000000 ] - [ 0.0015452600000000, -0.0003008200000000, -0.0011848000000000 ] - [ -0.0004758700000000, 0.0000000000000000, -0.0125116900000000 ] - [ -0.0004446000000000, -0.0000385200000000, -0.0085874000000000 ] - [ -0.0004446000000000, 0.0000385200000000, -0.0085874000000000 ] - [ 0.0023888500000000, 0.0000000000000000, -0.0031966400000000 ] - [ 0.0020932400000000, 0.0003928300000000, -0.0017835900000000 ] - [ 0.0020932400000000, -0.0003928300000000, -0.0017835900000000 ] - [ -0.0000901000000000, 0.0000000000000000, -0.0092253100000000 ] - [ -0.0000802400000000, -0.0000038300000000, -0.0067427900000000 ] - [ -0.0000802400000000, 0.0000038300000000, -0.0067427900000000 ] - [ -0.0112888400000000, 0.0000000000000000, -0.0075912900000000 ] - [ 0.0010355600000000, 0.0017596200000000, 0.0002881700000000 ] - [ 0.0010355600000000, -0.0017596200000000, 0.0002881700000000 ] - [ -0.0010135100000000, 0.0000000000000000, -0.0184898300000000 ] - [ 0.0003339200000000, 0.0018585500000000, -0.0057220800000000 ] - [ 0.0003339200000000, -0.0018585500000000, -0.0057220800000000 ] - [ -0.0017696400000000, 0.0000000000000000, 0.0080406300000000 ] - [ -0.0011336800000000, -0.0016539000000000, 0.0032137600000000 ] - [ -0.0011336800000000, 0.0016539000000000, 0.0032137600000000 ] - [ 0.0028566000000000, 0.0000000000000000, 0.0208623500000000 ] - [ 0.0027393000000000, -0.0003788100000000, 0.0039568500000000 ] - [ 0.0027393000000000, 0.0003788100000000, 0.0039568500000000 ] - [ 0.0035979200000000, 0.0000000000000000, 0.0551170400000000 ] - [ -0.0001916500000000, 0.0012814600000000, 0.0073687600000000 ] - [ -0.0001916500000000, -0.0012814600000000, 0.0073687600000000 ] - [ 0.0150643800000000, 0.0000000000000000, -0.0071358000000000 ] - [ 0.0039223200000000, 0.0017411900000000, 0.0008751300000000 ] - [ 0.0039223200000000, -0.0017411900000000, 0.0008751300000000 ] - [ 0.0007521300000000, 0.0000000000000000, 0.0105047000000000 ] - [ 0.0001900300000000, 0.0016037800000000, 0.0047584500000000 ] - [ 0.0001900300000000, -0.0016037800000000, 0.0047584500000000 ] - [ 0.0183623100000000, 0.0000000000000000, -0.0069953200000000 ] - [ 0.0043505700000000, -0.0017094400000000, -0.0000826500000000 ] - [ 0.0043505700000000, 0.0017094400000000, -0.0000826500000000 ] - [ 0.0006593200000000, 0.0000000000000000, 0.0022008000000000 ] - [ -0.0001499200000000, -0.0021010300000000, 0.0054457900000000 ] - [ -0.0001499200000000, 0.0021010300000000, 0.0054457900000000 ] - [ 0.0019819400000000, 0.0000000000000000, -0.0029374200000000 ] - [ 0.0015900400000000, -0.0001783000000000, -0.0016475500000000 ] - [ 0.0015900400000000, 0.0001783000000000, -0.0016475500000000 ] - [ 0.0030203900000000, 0.0000000000000000, -0.0216043300000000 ] - [ 0.0003420000000000, -0.0015739600000000, -0.0064237800000000 ] - [ 0.0003420000000000, 0.0015739600000000, -0.0064237800000000 ] - [ -0.0102716100000000, 0.0000000000000000, -0.0077740200000000 ] - [ 0.0010461900000000, -0.0015670300000000, -0.0001139700000000 ] - [ 0.0010461900000000, 0.0015670300000000, -0.0001139700000000 ] - [ -0.0000790100000000, 0.0000000000000000, -0.0105590400000000 ] - [ -0.0000169700000000, -0.0004450900000000, -0.0058710500000000 ] - [ -0.0000169700000000, 0.0004450900000000, -0.0058710500000000 ] - [ 0.0024880800000000, 0.0000000000000000, 0.0232344500000000 ] - [ 0.0023798800000000, -0.0002607400000000, 0.0036433000000000 ] - [ 0.0023798800000000, 0.0002607400000000, 0.0036433000000000 ] - [ 0.0016631900000000, 0.0000000000000000, -0.0027083100000000 ] - [ 0.0021644100000000, -0.0002402800000000, -0.0013187700000000 ] - [ 0.0021644100000000, 0.0002402800000000, -0.0013187700000000 ] - [ 0.0057572300000000, -0.0037492900000000, -0.0033224600000000 ] - [ 0.0057572300000000, 0.0037492900000000, -0.0033224600000000 ] - [ 0.0055266700000000, 0.0000000000000000, -0.0027481900000000 ] - [ 0.0050044000000000, 0.0004595000000000, 0.0014872600000000 ] - [ 0.0050044000000000, -0.0004595000000000, 0.0014872600000000 ] - [ 0.0046578600000000, 0.0000000000000000, -0.0007488600000000 ] - [ 0.0051906800000000, -0.0013855400000000, -0.0053122900000000 ] - [ 0.0051906800000000, 0.0013855400000000, -0.0053122900000000 ] - [ 0.0051018700000000, 0.0000000000000000, -0.0046249600000000 ] - [ 0.0065829200000000, 0.0042687200000000, -0.0007172000000000 ] - [ 0.0065829200000000, -0.0042687200000000, -0.0007172000000000 ] - [ 0.0069087500000000, 0.0000000000000000, -0.0003451200000000 ] - [ 0.0045171600000000, -0.0162621100000000, -0.0120311700000000 ] - [ 0.0045171600000000, 0.0162621100000000, -0.0120311700000000 ] - [ 0.0044717800000000, 0.0000000000000000, -0.0035297200000000 ] - [ 0.0052820000000000, -0.0015183600000000, 0.0174025300000000 ] - [ 0.0052820000000000, 0.0015183600000000, 0.0174025300000000 ] - [ 0.0051939700000000, 0.0000000000000000, -0.0005216500000000 ] - [ 0.0078602200000000, 0.0177934000000000, -0.0027569100000000 ] - [ 0.0078602200000000, -0.0177934000000000, -0.0027569100000000 ] - [ 0.0072807700000000, 0.0000000000000000, 0.0046241400000000 ] - [ 0.0004856600000000, -0.0000078900000000, 0.0031341600000000 ] - [ 0.0004856600000000, 0.0000078900000000, 0.0031341600000000 ] - [ 0.0004641000000000, 0.0000000000000000, 0.0025147600000000 ] - [ 0.0010110100000000, 0.0019972000000000, 0.0031761300000000 ] - [ 0.0010110100000000, -0.0019972000000000, 0.0031761300000000 ] - [ 0.0001482800000000, 0.0000000000000000, 0.0013244500000000 ] - [ 0.0131287800000000, 0.0145409000000000, -0.0018910200000000 ] - [ 0.0131287800000000, -0.0145409000000000, -0.0018910200000000 ] - [ -0.0002423600000000, 0.0000000000000000, -0.0030501400000000 ] - [ -0.0012351200000000, 0.0021935000000000, 0.0034669900000000 ] - [ -0.0012351200000000, -0.0021935000000000, 0.0034669900000000 ] - [ -0.0004323900000000, 0.0000000000000000, 0.0014147600000000 ] - [ -0.0138678700000000, 0.0137017700000000, -0.0014779400000000 ] - [ -0.0138678700000000, -0.0137017700000000, -0.0014779400000000 ] - [ -0.0007481800000000, 0.0000000000000000, -0.0029748200000000 ] - [ -0.0113846800000000, -0.0120613600000000, -0.0016945300000000 ] - [ -0.0113846800000000, 0.0120613600000000, -0.0016945300000000 ] - [ -0.0001194600000000, 0.0000000000000000, -0.0029159800000000 ] - [ 0.0120809300000000, -0.0130944000000000, -0.0018700000000000 ] - [ 0.0120809300000000, 0.0130944000000000, -0.0018700000000000 ] - [ -0.0003461200000000, 0.0000000000000000, -0.0028717600000000 ] - [ -0.0182126500000000, 0.0000000000000000, 0.0727021700000000 ] - [ -0.0095952300000000, 0.0130876900000000, -0.0033523300000000 ] - [ -0.0095952300000000, -0.0130876900000000, -0.0033523300000000 ] - [ -0.0121978800000000, 0.0000000000000000, 0.0170242500000000 ] - [ -0.0117859200000000, 0.0009479000000000, 0.0121221000000000 ] - [ -0.0117859200000000, -0.0009479000000000, 0.0121221000000000 ] - [ -0.0013902300000000, 0.0000000000000000, 0.0261327700000000 ] - [ -0.0023126100000000, 0.0013944100000000, 0.0176171600000000 ] - [ -0.0023126100000000, -0.0013944100000000, 0.0176171600000000 ] - [ -0.0049860700000000, 0.0000000000000000, 0.0141215100000000 ] - [ -0.0053313900000000, -0.0008157600000000, 0.0101010100000000 ] - [ -0.0053313900000000, 0.0008157600000000, 0.0101010100000000 ] - [ -0.0069342600000000, 0.0000000000000000, 0.0764296100000000 ] - [ -0.0064535000000000, -0.0111914300000000, 0.0038875400000000 ] - [ -0.0064535000000000, 0.0111914300000000, 0.0038875400000000 ] - [ -0.0060272900000000, 0.0000000000000000, 0.0032276000000000 ] - [ -0.0074325800000000, -0.0032682200000000, 0.0032775000000000 ] - [ -0.0074325800000000, 0.0032682200000000, 0.0032775000000000 ] - [ -0.0075494200000000, 0.0000000000000000, 0.0174522300000000 ] - [ -0.0072143700000000, -0.0010912200000000, 0.0108734800000000 ] - [ -0.0072143700000000, 0.0010912200000000, 0.0108734800000000 ] - [ -0.0111601200000000, 0.0000000000000000, -0.0136290800000000 ] - [ -0.0069874600000000, 0.0003555300000000, -0.0052942300000000 ] - [ -0.0069874600000000, -0.0003555300000000, -0.0052942300000000 ] - [ -0.0095320900000000, 0.0000000000000000, 0.0026807800000000 ] - [ -0.0088512100000000, 0.0035892000000000, 0.0022344300000000 ] - [ -0.0088512100000000, -0.0035892000000000, 0.0022344300000000 ] - [ -0.0076084300000000, 0.0000000000000000, -0.2105010400000000 ] - [ -0.0074018800000000, 0.0020617100000000, -0.0065743600000000 ] - [ -0.0074018800000000, -0.0020617100000000, -0.0065743600000000 ]- atom: 148 displacement: [ 0.0000086848577793, 0.0000000000000000, -0.0099999962286616 ] forces: - [ -0.0005134900000000, 0.0000212800000000, -0.0015750400000000 ] - [ -0.0005134900000000, -0.0000212800000000, -0.0015750400000000 ] - [ -0.0005191400000000, 0.0000000000000000, -0.0012735800000000 ] - [ 0.0006589400000000, 0.0009944500000000, -0.0014023600000000 ] - [ 0.0006589400000000, -0.0009944500000000, -0.0014023600000000 ] - [ 0.0001355600000000, 0.0000000000000000, -0.0006401500000000 ] - [ -0.0008309400000000, 0.0011204100000000, -0.0014255400000000 ] - [ -0.0008309400000000, -0.0011204100000000, -0.0014255400000000 ] - [ -0.0003660000000000, 0.0000000000000000, -0.0005472300000000 ] - [ 0.0046219300000000, 0.0008742400000000, -0.0016182000000000 ] - [ 0.0046219300000000, -0.0008742400000000, -0.0016182000000000 ] - [ 0.0046440200000000, 0.0000000000000000, -0.0022425100000000 ] - [ 0.0094325500000000, -0.0010952600000000, -0.0016386000000000 ] - [ 0.0094325500000000, 0.0010952600000000, -0.0016386000000000 ] - [ 0.0094294000000000, 0.0000000000000000, -0.0019914900000000 ] - [ 0.0017371800000000, -0.0016794400000000, -0.0047120200000000 ] - [ 0.0017371800000000, 0.0016794400000000, -0.0047120200000000 ] - [ 0.0016705000000000, 0.0000000000000000, -0.0052592500000000 ] - [ -0.0008239700000000, 0.0000000000000000, 0.0055746400000000 ] - [ -0.0006889600000000, -0.0006307200000000, 0.0009701700000000 ] - [ -0.0006889600000000, 0.0006307200000000, 0.0009701700000000 ] - [ 0.0027746200000000, 0.0000000000000000, 0.0029950100000000 ] - [ 0.0023928000000000, -0.0003007400000000, 0.0016917300000000 ] - [ 0.0023928000000000, 0.0003007400000000, 0.0016917300000000 ] - [ -0.0001634700000000, 0.0000000000000000, 0.0085106900000000 ] - [ -0.0001938300000000, 0.0000378400000000, 0.0046000300000000 ] - [ -0.0001938300000000, -0.0000378400000000, 0.0046000300000000 ] - [ 0.0015103400000000, 0.0000000000000000, 0.0032939900000000 ] - [ 0.0018036700000000, -0.0003927800000000, 0.0018863300000000 ] - [ 0.0018036700000000, 0.0003927800000000, 0.0018863300000000 ] - [ -0.0000087300000000, 0.0000000000000000, 0.0065311700000000 ] - [ -0.0000198500000000, 0.0000032200000000, 0.0040636000000000 ] - [ -0.0000198500000000, -0.0000032200000000, 0.0040636000000000 ] - [ 0.0158921700000000, 0.0000000000000000, 0.0074362400000000 ] - [ 0.0035180500000000, -0.0017637300000000, -0.0004742700000000 ] - [ 0.0035180500000000, 0.0017637300000000, -0.0004742700000000 ] - [ 0.0016899600000000, 0.0000000000000000, 0.0159336600000000 ] - [ 0.0003519100000000, -0.0018601300000000, 0.0032229200000000 ] - [ 0.0003519100000000, 0.0018601300000000, 0.0032229200000000 ] - [ 0.0007827300000000, 0.0000000000000000, -0.0117912600000000 ] - [ 0.0001193300000000, 0.0016411000000000, -0.0070609800000000 ] - [ 0.0001193300000000, -0.0016411000000000, -0.0070609800000000 ] - [ 0.0026228300000000, 0.0000000000000000, -0.0199180200000000 ] - [ 0.0022091300000000, 0.0003910500000000, -0.0028576300000000 ] - [ 0.0022091300000000, -0.0003910500000000, -0.0028576300000000 ] - [ -0.0049865000000000, 0.0000000000000000, -0.0650435500000000 ] - [ -0.0007656500000000, -0.0012410600000000, -0.0097283400000000 ] - [ -0.0007656500000000, 0.0012410600000000, -0.0097283400000000 ] - [ -0.0098334600000000, 0.0000000000000000, 0.0080400900000000 ] - [ 0.0012960500000000, -0.0017419500000000, 0.0000028800000000 ] - [ 0.0012960500000000, 0.0017419500000000, 0.0000028800000000 ] - [ -0.0004390500000000, 0.0000000000000000, -0.0136091600000000 ] - [ 0.0000776600000000, -0.0016077400000000, -0.0077751200000000 ] - [ 0.0000776600000000, 0.0016077400000000, -0.0077751200000000 ] - [ -0.0122955900000000, 0.0000000000000000, 0.0062105200000000 ] - [ 0.0015322100000000, 0.0016941500000000, -0.0006095300000000 ] - [ 0.0015322100000000, -0.0016941500000000, -0.0006095300000000 ] - [ -0.0010885300000000, 0.0000000000000000, -0.0015252000000000 ] - [ -0.0004146500000000, 0.0021041000000000, -0.0081907400000000 ] - [ -0.0004146500000000, -0.0021041000000000, -0.0081907400000000 ] - [ 0.0008479300000000, 0.0000000000000000, 0.0025589500000000 ] - [ 0.0012424700000000, 0.0001770500000000, 0.0012773100000000 ] - [ 0.0012424700000000, -0.0001770500000000, 0.0012773100000000 ] - [ -0.0021841800000000, 0.0000000000000000, 0.0206333000000000 ] - [ 0.0004936600000000, 0.0015578300000000, 0.0054894700000000 ] - [ 0.0004936600000000, -0.0015578300000000, 0.0054894700000000 ] - [ 0.0148677800000000, 0.0000000000000000, 0.0073533700000000 ] - [ 0.0036412800000000, 0.0015523600000000, -0.0002106500000000 ] - [ 0.0036412800000000, -0.0015523600000000, -0.0002106500000000 ] - [ -0.0001665600000000, 0.0000000000000000, 0.0063878200000000 ] - [ -0.0002328600000000, 0.0004418500000000, 0.0017361000000000 ] - [ -0.0002328600000000, -0.0004418500000000, 0.0017361000000000 ] - [ 0.0017175800000000, 0.0000000000000000, -0.0229814700000000 ] - [ 0.0025128600000000, 0.0002786500000000, -0.0032561800000000 ] - [ 0.0025128600000000, -0.0002786500000000, -0.0032561800000000 ] - [ 0.0031649000000000, 0.0000000000000000, 0.0032126000000000 ] - [ 0.0026611600000000, 0.0002386100000000, 0.0018350000000000 ] - [ 0.0026611600000000, -0.0002386100000000, 0.0018350000000000 ] - [ 0.0052998700000000, 0.0037417100000000, -0.0036183300000000 ] - [ 0.0052998700000000, -0.0037417100000000, -0.0036183300000000 ] - [ 0.0055283600000000, 0.0000000000000000, -0.0041889700000000 ] - [ 0.0043127800000000, -0.0005072300000000, -0.0082744700000000 ] - [ 0.0043127800000000, 0.0005072300000000, -0.0082744700000000 ] - [ 0.0046452200000000, 0.0000000000000000, -0.0060518500000000 ] - [ 0.0047043200000000, 0.0013819800000000, 0.0001415700000000 ] - [ 0.0047043200000000, -0.0013819800000000, 0.0001415700000000 ] - [ 0.0047928400000000, 0.0000000000000000, -0.0005456100000000 ] - [ 0.0072616900000000, -0.0042392500000000, -0.0006180500000000 ] - [ 0.0072616900000000, 0.0042392500000000, -0.0006180500000000 ] - [ 0.0069373000000000, 0.0000000000000000, -0.0009932600000000 ] - [ 0.0049205100000000, 0.0162595300000000, 0.0033989400000000 ] - [ 0.0049205100000000, -0.0162595300000000, 0.0033989400000000 ] - [ 0.0049663400000000, 0.0000000000000000, -0.0051608400000000 ] - [ 0.0051401300000000, 0.0020261400000000, -0.0255539300000000 ] - [ 0.0051401300000000, -0.0020261400000000, -0.0255539300000000 ] - [ 0.0052131700000000, 0.0000000000000000, -0.0074734400000000 ] - [ 0.0059046600000000, -0.0176188000000000, 0.0113947300000000 ] - [ 0.0059046600000000, 0.0176188000000000, 0.0113947300000000 ] - [ 0.0064755800000000, 0.0000000000000000, 0.0041238500000000 ] - [ 0.0003783100000000, 0.0000068500000000, -0.0029039600000000 ] - [ 0.0003783100000000, -0.0000068500000000, -0.0029039600000000 ] - [ 0.0003989400000000, 0.0000000000000000, -0.0022865600000000 ] - [ -0.0016158700000000, -0.0019969900000000, -0.0029954300000000 ] - [ -0.0016158700000000, 0.0019969900000000, -0.0029954300000000 ] - [ -0.0007494500000000, 0.0000000000000000, -0.0011374700000000 ] - [ -0.0140377400000000, -0.0146696300000000, 0.0015589500000000 ] - [ -0.0140377400000000, 0.0146696300000000, 0.0015589500000000 ] - [ -0.0005387900000000, 0.0000000000000000, 0.0027110700000000 ] - [ 0.0011633400000000, -0.0021909300000000, -0.0033636400000000 ] - [ 0.0011633400000000, 0.0021909300000000, -0.0033636400000000 ] - [ 0.0003575600000000, 0.0000000000000000, -0.0013077800000000 ] - [ 0.0128246200000000, -0.0137951300000000, 0.0015813500000000 ] - [ 0.0128246200000000, 0.0137951300000000, 0.0015813500000000 ] - [ -0.0004250000000000, 0.0000000000000000, 0.0030540100000000 ] - [ 0.0114364400000000, 0.0119240200000000, 0.0016880700000000 ] - [ 0.0114364400000000, -0.0119240200000000, 0.0016880700000000 ] - [ 0.0003023800000000, 0.0000000000000000, 0.0029464800000000 ] - [ -0.0131557400000000, 0.0129666500000000, 0.0014586500000000 ] - [ -0.0131557400000000, -0.0129666500000000, 0.0014586500000000 ] - [ -0.0008710800000000, 0.0000000000000000, 0.0025217700000000 ] - [ -0.0007294000000000, 0.0000000000000000, -0.0783217900000000 ] - [ -0.0092737200000000, -0.0129538900000000, -0.0033092300000000 ] - [ -0.0092737200000000, 0.0129538900000000, -0.0033092300000000 ] - [ -0.0101704700000000, 0.0000000000000000, -0.0065808300000000 ] - [ -0.0105792400000000, -0.0009404200000000, -0.0017210600000000 ] - [ -0.0105792400000000, 0.0009404200000000, -0.0017210600000000 ] - [ -0.0055253300000000, 0.0000000000000000, -0.0090595400000000 ] - [ -0.0046072600000000, -0.0013853600000000, -0.0005852200000000 ] - [ -0.0046072600000000, 0.0013853600000000, -0.0005852200000000 ] - [ -0.0069529400000000, 0.0000000000000000, -0.0042484100000000 ] - [ -0.0066027700000000, 0.0008123700000000, -0.0002421000000000 ] - [ -0.0066027700000000, -0.0008123700000000, -0.0002421000000000 ] - [ -0.0058628700000000, 0.0000000000000000, -0.0651193000000000 ] - [ -0.0063347700000000, 0.0111965700000000, 0.0077001900000000 ] - [ -0.0063347700000000, -0.0111965700000000, 0.0077001900000000 ] - [ -0.0090519900000000, 0.0000000000000000, 0.0064153700000000 ] - [ -0.0076159600000000, 0.0032646700000000, 0.0062803900000000 ] - [ -0.0076159600000000, -0.0032646700000000, 0.0062803900000000 ] - [ -0.0059698700000000, 0.0000000000000000, -0.0101127400000000 ] - [ -0.0063018700000000, 0.0010921900000000, -0.0035580900000000 ] - [ -0.0063018700000000, -0.0010921900000000, -0.0035580900000000 ] - [ -0.0029071400000000, 0.0000000000000000, 0.0224933100000000 ] - [ -0.0069324500000000, -0.0003792300000000, 0.0142194300000000 ] - [ -0.0069324500000000, 0.0003792300000000, 0.0142194300000000 ] - [ -0.0080286600000000, 0.0000000000000000, 0.0022638500000000 ] - [ -0.0086748900000000, -0.0035651000000000, 0.0027555300000000 ] - [ -0.0086748900000000, 0.0035651000000000, 0.0027555300000000 ] - [ -0.0060006200000000, 0.0000000000000000, 0.2252181400000000 ] - [ -0.0066115900000000, -0.0022398900000000, 0.0168210700000000 ] - [ -0.0066115900000000, 0.0022398900000000, 0.0168210700000000 ]