# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1e45a8df-4c52-47c5-8cd2-473d2d793b87/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 Ca3Si2O7 / Ima2 (46) / materials id 585516](https://mdr.nims.go.jp/datasets/d3add7b9-6bf8-4b21-b532-32238b5e1ad2) ## 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: "Ima2" number: 46 Hall_symbol: "I 2 -2a"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -10.942055939999999, 2.537233070000000, 5.698252185000000 ] # a - [ 10.942055939999999, -2.537233070000000, 5.698252185000000 ] # b - [ 10.942055939999999, 2.537233070000000, -5.698252185000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.722391250000000, 0.322840970000000, 0.608479200000000 ] mass: 40.078000 - symbol: Ca # 2 coordinates: [ 0.714361770000000, 0.113912050000000, 0.391520800000000 ] mass: 40.078000 - symbol: Ca # 3 coordinates: [ 0.987996480000000, 0.987996480000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 4 coordinates: [ 0.007801720000000, 0.343060480000000, 0.328296120000000 ] mass: 40.078000 - symbol: Ca # 5 coordinates: [ 0.007801720000000, 0.179505600000000, 0.164741240000000 ] mass: 40.078000 - symbol: Ca # 6 coordinates: [ 0.014764360000000, 0.843060480000000, 0.835258760000000 ] mass: 40.078000 - symbol: Ca # 7 coordinates: [ 0.987996480000000, 0.487996480000000, 0.500000000000000 ] mass: 40.078000 - symbol: Ca # 8 coordinates: [ 0.014764360000000, 0.679505600000000, 0.671703880000000 ] mass: 40.078000 - symbol: Ca # 9 coordinates: [ 0.285079130000000, 0.036003310000000, 0.749075820000000 ] mass: 40.078000 - symbol: Ca # 10 coordinates: [ 0.286927490000000, 0.536003310000000, 0.250924180000000 ] mass: 40.078000 - symbol: Ca # 11 coordinates: [ 0.722391250000000, 0.613912050000000, 0.899550280000000 ] mass: 40.078000 - symbol: Ca # 12 coordinates: [ 0.714361770000000, 0.822840970000000, 0.100449720000000 ] mass: 40.078000 - symbol: Si # 13 coordinates: [ 0.524522220000000, 0.846829050000000, 0.177693170000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.467947090000000, 0.509737010000000, 0.159694480000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.350042530000000, 0.009737010000000, 0.541789920000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.350042530000000, 0.308252610000000, 0.840305520000000 ] mass: 28.085500 - symbol: Si # 17 coordinates: [ 0.467947090000000, 0.808252610000000, 0.458210080000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.240364860000000, 0.740364860000000, 0.500000000000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.240364860000000, 0.240364860000000, 0.000000000000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.669135880000000, 0.346829050000000, 0.822306830000000 ] mass: 28.085500 - symbol: O # 21 coordinates: [ 0.342895960000000, 0.129487050000000, 0.397437750000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.663352560000000, 0.307389620000000, 0.163728880000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.143660740000000, 0.807389620000000, 0.144037060000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.255246430000000, 0.714474360000000, 0.040772070000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.342895960000000, 0.445458210000000, 0.713408910000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.139962370000000, 0.872269600000000, 0.349429250000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.337478690000000, 0.115734820000000, 0.136580590000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.869418070000000, 0.355012410000000, 0.895859460000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.459152950000000, 0.973558610000000, 0.104140540000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.869418070000000, 0.473558610000000, 0.014405660000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.522840350000000, 0.790533120000000, 0.650570750000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.847919370000000, 0.847622980000000, 0.500296390000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.979154230000000, 0.200898100000000, 0.863419410000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.459152950000000, 0.855012410000000, 0.985594340000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.139962370000000, 0.290533120000000, 0.767692770000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.145682710000000, 0.186631240000000, 0.639597350000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.732049300000000, 0.629487050000000, 0.286591090000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.732049300000000, 0.945458210000000, 0.602562250000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.547033890000000, 0.686631240000000, 0.540948530000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.547033890000000, 0.506085360000000, 0.360402650000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.979154230000000, 0.615734820000000, 0.278256130000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.347326590000000, 0.347622980000000, 0.499703610000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.673702290000000, 0.214474360000000, 0.959227930000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.145682710000000, 0.006085360000000, 0.459051470000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.143660740000000, 0.499623680000000, 0.836271120000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.522840350000000, 0.372269600000000, 0.232307230000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.663352560000000, 0.999623680000000, 0.855962940000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.337478690000000, 0.700898100000000, 0.721743870000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.197065065055297, 0.087746204233676 ] # a* - [ 0.045695251673151, 0.000000000000000, 0.087746204233676 ] # b* - [ 0.045695251673151, 0.197065065055297, 0.000000000000000 ] # c*unit_cell: lattice: - [ 21.884111879999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.074466140000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.396504370000001 ] # c points: - symbol: Ca # 1 coordinates: [ 0.104464460000000, 0.504014740000000, 0.218376510000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.395535540000000, 0.995985260000000, 0.718376510000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.987996480000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.331777440000000, 0.996518680000000, 0.011283040000000 ] mass: 40.078000 reduced_to: 4 - symbol: Ca # 5 coordinates: [ 0.168222560000000, 0.996518680000000, 0.011283040000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.331777440000000, 0.503481320000000, 0.511283040000000 ] mass: 40.078000 reduced_to: 6 - symbol: Ca # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.487996480000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 8 coordinates: [ 0.168222560000000, 0.503481320000000, 0.511283040000000 ] mass: 40.078000 reduced_to: 8 - symbol: Ca # 9 coordinates: [ 0.250000000000000, 0.499075820000000, 0.786003310000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 10 coordinates: [ 0.250000000000000, 0.000924180000000, 0.286003310000000 ] mass: 40.078000 reduced_to: 10 - symbol: Ca # 11 coordinates: [ 0.395535540000000, 0.504014740000000, 0.218376510000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 12 coordinates: [ 0.104464460000000, 0.995985260000000, 0.718376510000000 ] mass: 40.078000 reduced_to: 12 - symbol: Ca # 13 coordinates: [ 0.604464460000000, 0.004014740000000, 0.718376510000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 14 coordinates: [ 0.895535540000000, 0.495985260000000, 0.218376510000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 15 coordinates: [ 0.500000000000000, 0.500000000000000, 0.487996480000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 16 coordinates: [ 0.831777440000000, 0.496518680000000, 0.511283040000000 ] mass: 40.078000 reduced_to: 4 - symbol: Ca # 17 coordinates: [ 0.668222560000000, 0.496518680000000, 0.511283040000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 18 coordinates: [ 0.831777440000000, 0.003481320000000, 0.011283040000000 ] mass: 40.078000 reduced_to: 6 - symbol: Ca # 19 coordinates: [ 0.500000000000000, 0.000000000000000, 0.987996480000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 20 coordinates: [ 0.668222560000000, 0.003481320000000, 0.011283040000000 ] mass: 40.078000 reduced_to: 8 - symbol: Ca # 21 coordinates: [ 0.750000000000000, 0.999075820000000, 0.286003310000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 22 coordinates: [ 0.750000000000000, 0.500924180000000, 0.786003310000000 ] mass: 40.078000 reduced_to: 10 - symbol: Ca # 23 coordinates: [ 0.895535540000000, 0.004014740000000, 0.718376510000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 24 coordinates: [ 0.604464460000000, 0.495985260000000, 0.218376510000000 ] mass: 40.078000 reduced_to: 12 - symbol: Si # 25 coordinates: [ 0.250000000000000, 0.927693170000000, 0.596829050000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.100742200000000, 0.058952280000000, 0.408994810000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 27 coordinates: [ 0.100742200000000, 0.441047720000000, 0.908994810000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.399257800000000, 0.441047720000000, 0.908994810000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.399257800000000, 0.058952280000000, 0.408994810000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.240364860000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 31 coordinates: [ 0.500000000000000, 0.500000000000000, 0.740364860000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.250000000000000, 0.572306830000000, 0.096829050000000 ] mass: 28.085500 reduced_to: 32 - symbol: Si # 33 coordinates: [ 0.750000000000000, 0.427693170000000, 0.096829050000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 34 coordinates: [ 0.600742200000000, 0.558952280000000, 0.908994810000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 35 coordinates: [ 0.600742200000000, 0.941047720000000, 0.408994810000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 36 coordinates: [ 0.899257800000000, 0.941047720000000, 0.408994810000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 37 coordinates: [ 0.899257800000000, 0.558952280000000, 0.908994810000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.740364860000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.240364860000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 40 coordinates: [ 0.750000000000000, 0.072306830000000, 0.596829050000000 ] mass: 28.085500 reduced_to: 32 - symbol: O # 41 coordinates: [ 0.092014420000000, 0.305423330000000, 0.037472630000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.403882970000000, 0.759845910000000, 0.903506650000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.403882970000000, 0.740154090000000, 0.403506650000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.250000000000000, 0.790772070000000, 0.464474360000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.407985580000000, 0.305423330000000, 0.037472630000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.040868240000000, 0.308561010000000, 0.831401360000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.457418360000000, 0.679162230000000, 0.658316460000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.190726900000000, 0.705132560000000, 0.164285510000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.309273100000000, 0.794867440000000, 0.664285510000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.309273100000000, 0.705132560000000, 0.164285510000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.459131760000000, 0.191438990000000, 0.331401360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.250000000000000, 0.250296390000000, 0.597622980000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.042581640000000, 0.820837770000000, 0.158316460000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.190726900000000, 0.794867440000000, 0.664285510000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.459131760000000, 0.308561010000000, 0.831401360000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.340272940000000, 0.299324410000000, 0.846358300000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.092014420000000, 0.194576670000000, 0.537472630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.407985580000000, 0.194576670000000, 0.537472630000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.340272940000000, 0.200675590000000, 0.346358300000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.159727060000000, 0.200675590000000, 0.346358300000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.457418360000000, 0.820837770000000, 0.158316460000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.250000000000000, 0.249703610000000, 0.097622980000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.250000000000000, 0.709227930000000, 0.964474360000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.159727060000000, 0.299324410000000, 0.846358300000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.096117030000000, 0.740154090000000, 0.403506650000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.040868240000000, 0.191438990000000, 0.331401360000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.096117030000000, 0.759845910000000, 0.903506650000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.042581640000000, 0.679162230000000, 0.658316460000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.592014420000000, 0.805423330000000, 0.537472630000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.903882970000000, 0.259845910000000, 0.403506650000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 71 coordinates: [ 0.903882970000000, 0.240154090000000, 0.903506650000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.750000000000000, 0.290772070000000, 0.964474360000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 73 coordinates: [ 0.907985580000000, 0.805423330000000, 0.537472630000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.540868240000000, 0.808561010000000, 0.331401360000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.957418360000000, 0.179162230000000, 0.158316460000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 76 coordinates: [ 0.690726900000000, 0.205132560000000, 0.664285510000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 77 coordinates: [ 0.809273100000000, 0.294867440000000, 0.164285510000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 78 coordinates: [ 0.809273100000000, 0.205132560000000, 0.664285510000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 79 coordinates: [ 0.959131760000000, 0.691438990000000, 0.831401360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 80 coordinates: [ 0.750000000000000, 0.750296390000000, 0.097622980000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 81 coordinates: [ 0.542581640000000, 0.320837770000000, 0.658316460000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 82 coordinates: [ 0.690726900000000, 0.294867440000000, 0.164285510000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 83 coordinates: [ 0.959131760000000, 0.808561010000000, 0.331401360000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 84 coordinates: [ 0.840272940000000, 0.799324410000000, 0.346358300000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 85 coordinates: [ 0.592014420000000, 0.694576670000000, 0.037472630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 86 coordinates: [ 0.907985580000000, 0.694576670000000, 0.037472630000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 87 coordinates: [ 0.840272940000000, 0.700675590000000, 0.846358300000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 88 coordinates: [ 0.659727060000000, 0.700675590000000, 0.846358300000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 89 coordinates: [ 0.957418360000000, 0.320837770000000, 0.658316460000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 90 coordinates: [ 0.750000000000000, 0.749703610000000, 0.597622980000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 91 coordinates: [ 0.750000000000000, 0.209227930000000, 0.464474360000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 92 coordinates: [ 0.659727060000000, 0.799324410000000, 0.346358300000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 93 coordinates: [ 0.596117030000000, 0.240154090000000, 0.903506650000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 94 coordinates: [ 0.540868240000000, 0.691438990000000, 0.831401360000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 95 coordinates: [ 0.596117030000000, 0.259845910000000, 0.403506650000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 96 coordinates: [ 0.542581640000000, 0.179162230000000, 0.158316460000000 ] mass: 15.999400 reduced_to: 68supercell: lattice: - [ 21.884111879999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.074466140000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.396504370000001 ] # c points: - symbol: Ca # 1 coordinates: [ 0.104464460000000, 0.504014740000000, 0.218376510000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.395535540000000, 0.995985260000000, 0.718376510000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.987996480000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.331777440000000, 0.996518680000000, 0.011283040000000 ] mass: 40.078000 reduced_to: 4 - symbol: Ca # 5 coordinates: [ 0.168222560000000, 0.996518680000000, 0.011283040000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.331777440000000, 0.503481320000000, 0.511283040000000 ] mass: 40.078000 reduced_to: 6 - symbol: Ca # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.487996480000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 8 coordinates: [ 0.168222560000000, 0.503481320000000, 0.511283040000000 ] mass: 40.078000 reduced_to: 8 - symbol: Ca # 9 coordinates: [ 0.250000000000000, 0.499075820000000, 0.786003310000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 10 coordinates: [ 0.250000000000000, 0.000924180000000, 0.286003310000000 ] mass: 40.078000 reduced_to: 10 - symbol: Ca # 11 coordinates: [ 0.395535540000000, 0.504014740000000, 0.218376510000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 12 coordinates: [ 0.104464460000000, 0.995985260000000, 0.718376510000000 ] mass: 40.078000 reduced_to: 12 - symbol: Ca # 13 coordinates: [ 0.604464460000000, 0.004014740000000, 0.718376510000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 14 coordinates: [ 0.895535540000000, 0.495985260000000, 0.218376510000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 15 coordinates: [ 0.500000000000000, 0.500000000000000, 0.487996480000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 16 coordinates: [ 0.831777440000000, 0.496518680000000, 0.511283040000000 ] mass: 40.078000 reduced_to: 4 - symbol: Ca # 17 coordinates: [ 0.668222560000000, 0.496518680000000, 0.511283040000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 18 coordinates: [ 0.831777440000000, 0.003481320000000, 0.011283040000000 ] mass: 40.078000 reduced_to: 6 - symbol: Ca # 19 coordinates: [ 0.500000000000000, 0.000000000000000, 0.987996480000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 20 coordinates: [ 0.668222560000000, 0.003481320000000, 0.011283040000000 ] mass: 40.078000 reduced_to: 8 - symbol: Ca # 21 coordinates: [ 0.750000000000000, 0.999075820000000, 0.286003310000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 22 coordinates: [ 0.750000000000000, 0.500924180000000, 0.786003310000000 ] mass: 40.078000 reduced_to: 10 - symbol: Ca # 23 coordinates: [ 0.895535540000000, 0.004014740000000, 0.718376510000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 24 coordinates: [ 0.604464460000000, 0.495985260000000, 0.218376510000000 ] mass: 40.078000 reduced_to: 12 - symbol: Si # 25 coordinates: [ 0.250000000000000, 0.927693170000000, 0.596829050000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.100742200000000, 0.058952280000000, 0.408994810000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 27 coordinates: [ 0.100742200000000, 0.441047720000000, 0.908994810000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.399257800000000, 0.441047720000000, 0.908994810000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.399257800000000, 0.058952280000000, 0.408994810000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.240364860000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 31 coordinates: [ 0.500000000000000, 0.500000000000000, 0.740364860000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.250000000000000, 0.572306830000000, 0.096829050000000 ] mass: 28.085500 reduced_to: 32 - symbol: Si # 33 coordinates: [ 0.750000000000000, 0.427693170000000, 0.096829050000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 34 coordinates: [ 0.600742200000000, 0.558952280000000, 0.908994810000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 35 coordinates: [ 0.600742200000000, 0.941047720000000, 0.408994810000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 36 coordinates: [ 0.899257800000000, 0.941047720000000, 0.408994810000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 37 coordinates: [ 0.899257800000000, 0.558952280000000, 0.908994810000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.740364860000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.240364860000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 40 coordinates: [ 0.750000000000000, 0.072306830000000, 0.596829050000000 ] mass: 28.085500 reduced_to: 32 - symbol: O # 41 coordinates: [ 0.092014420000000, 0.305423330000000, 0.037472630000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.403882970000000, 0.759845910000000, 0.903506650000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.403882970000000, 0.740154090000000, 0.403506650000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.250000000000000, 0.790772070000000, 0.464474360000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.407985580000000, 0.305423330000000, 0.037472630000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.040868240000000, 0.308561010000000, 0.831401360000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.457418360000000, 0.679162230000000, 0.658316460000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.190726900000000, 0.705132560000000, 0.164285510000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.309273100000000, 0.794867440000000, 0.664285510000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.309273100000000, 0.705132560000000, 0.164285510000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.459131760000000, 0.191438990000000, 0.331401360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.250000000000000, 0.250296390000000, 0.597622980000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.042581640000000, 0.820837770000000, 0.158316460000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.190726900000000, 0.794867440000000, 0.664285510000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.459131760000000, 0.308561010000000, 0.831401360000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.340272940000000, 0.299324410000000, 0.846358300000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.092014420000000, 0.194576670000000, 0.537472630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.407985580000000, 0.194576670000000, 0.537472630000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.340272940000000, 0.200675590000000, 0.346358300000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.159727060000000, 0.200675590000000, 0.346358300000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.457418360000000, 0.820837770000000, 0.158316460000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.250000000000000, 0.249703610000000, 0.097622980000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.250000000000000, 0.709227930000000, 0.964474360000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.159727060000000, 0.299324410000000, 0.846358300000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.096117030000000, 0.740154090000000, 0.403506650000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.040868240000000, 0.191438990000000, 0.331401360000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.096117030000000, 0.759845910000000, 0.903506650000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.042581640000000, 0.679162230000000, 0.658316460000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.592014420000000, 0.805423330000000, 0.537472630000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.903882970000000, 0.259845910000000, 0.403506650000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 71 coordinates: [ 0.903882970000000, 0.240154090000000, 0.903506650000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.750000000000000, 0.290772070000000, 0.964474360000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 73 coordinates: [ 0.907985580000000, 0.805423330000000, 0.537472630000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.540868240000000, 0.808561010000000, 0.331401360000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.957418360000000, 0.179162230000000, 0.158316460000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 76 coordinates: [ 0.690726900000000, 0.205132560000000, 0.664285510000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 77 coordinates: [ 0.809273100000000, 0.294867440000000, 0.164285510000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 78 coordinates: [ 0.809273100000000, 0.205132560000000, 0.664285510000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 79 coordinates: [ 0.959131760000000, 0.691438990000000, 0.831401360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 80 coordinates: [ 0.750000000000000, 0.750296390000000, 0.097622980000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 81 coordinates: [ 0.542581640000000, 0.320837770000000, 0.658316460000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 82 coordinates: [ 0.690726900000000, 0.294867440000000, 0.164285510000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 83 coordinates: [ 0.959131760000000, 0.808561010000000, 0.331401360000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 84 coordinates: [ 0.840272940000000, 0.799324410000000, 0.346358300000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 85 coordinates: [ 0.592014420000000, 0.694576670000000, 0.037472630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 86 coordinates: [ 0.907985580000000, 0.694576670000000, 0.037472630000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 87 coordinates: [ 0.840272940000000, 0.700675590000000, 0.846358300000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 88 coordinates: [ 0.659727060000000, 0.700675590000000, 0.846358300000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 89 coordinates: [ 0.957418360000000, 0.320837770000000, 0.658316460000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 90 coordinates: [ 0.750000000000000, 0.749703610000000, 0.597622980000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 91 coordinates: [ 0.750000000000000, 0.209227930000000, 0.464474360000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 92 coordinates: [ 0.659727060000000, 0.799324410000000, 0.346358300000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 93 coordinates: [ 0.596117030000000, 0.240154090000000, 0.903506650000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 94 coordinates: [ 0.540868240000000, 0.691438990000000, 0.831401360000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 95 coordinates: [ 0.596117030000000, 0.259845910000000, 0.403506650000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 96 coordinates: [ 0.542581640000000, 0.179162230000000, 0.158316460000000 ] mass: 15.999400 reduced_to: 68displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0967402000000000, 0.0028506600000000, 0.0053340300000000 ] - [ 0.0013150400000000, -0.0001282800000000, -0.0003530700000000 ] - [ -0.0011560700000000, -0.0010826300000000, 0.0086939300000000 ] - [ 0.0038840700000000, 0.0001993800000000, -0.0022996100000000 ] - [ -0.0102920700000000, 0.0026808800000000, -0.0099970100000000 ] - [ 0.0011690400000000, -0.0000696700000000, 0.0012389800000000 ] - [ -0.0012902200000000, -0.0003372800000000, -0.0083659800000000 ] - [ -0.0048087300000000, 0.0007858700000000, 0.0068333300000000 ] - [ -0.0019313000000000, -0.0006495600000000, -0.0018459100000000 ] - [ 0.0067790100000000, 0.0011498500000000, 0.0060625300000000 ] - [ 0.0035778000000000, -0.0001949100000000, 0.0007184500000000 ] - [ -0.0039591900000000, -0.0001247000000000, 0.0000872600000000 ] - [ 0.0024669100000000, -0.0000744000000000, 0.0000779200000000 ] - [ 0.0065246300000000, -0.0003850100000000, -0.0001612500000000 ] - [ 0.0025360000000000, 0.0000818600000000, 0.0000197900000000 ] - [ 0.0023235700000000, 0.0002857900000000, -0.0013216800000000 ] - [ 0.0025457700000000, -0.0002437400000000, 0.0002578000000000 ] - [ 0.0030133600000000, -0.0001950100000000, 0.0008635100000000 ] - [ 0.0028537000000000, -0.0001033000000000, -0.0003858900000000 ] - [ 0.0026964500000000, 0.0002739700000000, 0.0004629300000000 ] - [ 0.0030501900000000, -0.0001045000000000, 0.0000486500000000 ] - [ 0.0022438400000000, 0.0000593100000000, 0.0002889500000000 ] - [ 0.0000800000000000, -0.0002425200000000, 0.0001578300000000 ] - [ 0.0027596000000000, 0.0000686200000000, 0.0001045100000000 ] - [ -0.0019389100000000, 0.0000959600000000, 0.0028707000000000 ] - [ -0.0275924100000000, -0.0009000300000000, -0.0031544300000000 ] - [ -0.0075019000000000, -0.0001600100000000, 0.0022360700000000 ] - [ 0.0025571600000000, -0.0002142000000000, -0.0013805000000000 ] - [ 0.0032003500000000, -0.0002840600000000, 0.0009083100000000 ] - [ 0.0036984600000000, -0.0000313200000000, 0.0000419500000000 ] - [ 0.0032384500000000, 0.0002090500000000, -0.0004536400000000 ] - [ 0.0172515300000000, 0.0009816000000000, -0.0114237900000000 ] - [ 0.0034995200000000, -0.0002359100000000, 0.0003706900000000 ] - [ 0.0029768300000000, 0.0001170500000000, 0.0001461500000000 ] - [ 0.0031341500000000, -0.0001411900000000, 0.0002016300000000 ] - [ 0.0049983400000000, -0.0003138700000000, -0.0041705500000000 ] - [ 0.0006100600000000, -0.0000781200000000, 0.0034198200000000 ] - [ -0.0036944900000000, 0.0001744900000000, 0.0001195900000000 ] - [ 0.0115950600000000, -0.0013421200000000, -0.0069768500000000 ] - [ 0.0025573600000000, 0.0000113900000000, -0.0006036700000000 ] - [ 0.0116115700000000, 0.0017247000000000, 0.0017493100000000 ] - [ -0.0016672700000000, 0.0001131600000000, 0.0008072200000000 ] - [ -0.0013987600000000, 0.0001793800000000, -0.0005073300000000 ] - [ 0.0001621700000000, 0.0001108700000000, -0.0037695600000000 ] - [ -0.0019623800000000, 0.0000731100000000, 0.0005881800000000 ] - [ 0.0035152600000000, 0.0003515400000000, 0.0002729700000000 ] - [ -0.0017229300000000, 0.0003373900000000, -0.0001512700000000 ] - [ 0.0339927000000000, 0.0153111600000000, -0.0071471800000000 ] - [ 0.0001498000000000, -0.0001297100000000, -0.0005110000000000 ] - [ -0.0059086500000000, -0.0006758400000000, 0.0005173100000000 ] - [ -0.0025016300000000, 0.0001802700000000, 0.0004392500000000 ] - [ 0.0009483100000000, -0.0000328000000000, -0.0006924700000000 ] - [ 0.0229023200000000, -0.0204299700000000, 0.0057395900000000 ] - [ 0.0028952500000000, -0.0003767000000000, -0.0010460300000000 ] - [ -0.0022569200000000, 0.0000237000000000, 0.0010543400000000 ] - [ -0.0011541600000000, -0.0002531600000000, 0.0011457300000000 ] - [ 0.0068588800000000, 0.0002225300000000, 0.0000600000000000 ] - [ -0.0012429200000000, -0.0002776900000000, -0.0007694400000000 ] - [ -0.0029585000000000, -0.0000104000000000, -0.0015688100000000 ] - [ 0.0157614000000000, 0.0005447600000000, -0.0030229100000000 ] - [ -0.0024260100000000, -0.0006482000000000, -0.0002857600000000 ] - [ -0.0051108900000000, 0.0024386300000000, 0.0046664600000000 ] - [ -0.0016277800000000, -0.0013125200000000, 0.0067386700000000 ] - [ 0.0051338600000000, -0.0009940000000000, -0.0002549000000000 ] - [ 0.0138551200000000, -0.0006058600000000, 0.0008608300000000 ] - [ 0.0135911900000000, 0.0014923200000000, 0.0055305800000000 ] - [ 0.0050525200000000, 0.0004271700000000, -0.0006600000000000 ] - [ 0.0028028400000000, 0.0008305000000000, 0.0003897100000000 ] - [ -0.0017721800000000, 0.0001769700000000, -0.0000852300000000 ] - [ -0.0019489800000000, 0.0003862000000000, 0.0020082100000000 ] - [ -0.0005458800000000, 0.0002433000000000, -0.0014287000000000 ] - [ -0.0018735000000000, 0.0000808600000000, -0.0001394000000000 ] - [ -0.0008090200000000, -0.0003323500000000, 0.0021315900000000 ] - [ -0.0022521800000000, 0.0001587300000000, -0.0008008700000000 ] - [ -0.0062832200000000, -0.0013388800000000, -0.0017757500000000 ] - [ -0.0022713400000000, 0.0000653900000000, 0.0003705700000000 ] - [ -0.0032053100000000, -0.0000335900000000, -0.0006612400000000 ] - [ -0.0015294600000000, -0.0001355500000000, 0.0001062300000000 ] - [ 0.0012239000000000, -0.0004236200000000, -0.0015991000000000 ] - [ -0.0018753000000000, 0.0001782600000000, -0.0000127700000000 ] - [ -0.0017256900000000, 0.0006322000000000, -0.0001964700000000 ] - [ -0.0027728100000000, -0.0000485100000000, 0.0002235500000000 ] - [ -0.0051984800000000, 0.0006391900000000, 0.0050646800000000 ] - [ -0.0029582100000000, 0.0000324300000000, 0.0008129900000000 ] - [ -0.0018754500000000, -0.0001491900000000, -0.0000631100000000 ] - [ -0.0020667000000000, -0.0004036500000000, -0.0028660900000000 ] - [ -0.0012703200000000, 0.0000321000000000, -0.0010690400000000 ] - [ -0.0022378800000000, -0.0001555300000000, 0.0003163500000000 ] - [ 0.0012201200000000, 0.0002180500000000, 0.0005057500000000 ] - [ -0.0016081200000000, -0.0000575900000000, 0.0003797400000000 ] - [ -0.0018426000000000, -0.0000412400000000, 0.0006147600000000 ] - [ -0.0024306500000000, 0.0001220000000000, 0.0004153000000000 ] - [ -0.0017745200000000, 0.0001827900000000, -0.0001292300000000 ] - [ -0.0020489300000000, -0.0000980600000000, -0.0005622200000000 ] - [ -0.0017861900000000, -0.0001853900000000, -0.0001563700000000 ] - [ -0.0020062600000000, -0.0007490600000000, -0.0002490800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0957882600000000, -0.0044812500000000, -0.0044827200000000 ] - [ -0.0015600700000000, 0.0001925200000000, 0.0005772200000000 ] - [ 0.0011969300000000, 0.0010881000000000, -0.0090633800000000 ] - [ -0.0038078300000000, -0.0002187700000000, 0.0023194400000000 ] - [ 0.0101294000000000, -0.0026801600000000, 0.0100184800000000 ] - [ -0.0011161900000000, 0.0000862200000000, -0.0011972800000000 ] - [ 0.0013241400000000, 0.0003288300000000, 0.0080421400000000 ] - [ 0.0046878900000000, -0.0007759600000000, -0.0068016700000000 ] - [ 0.0019105800000000, 0.0004769100000000, 0.0022022100000000 ] - [ -0.0067617300000000, -0.0009729800000000, -0.0056441000000000 ] - [ -0.0038083200000000, 0.0001251200000000, -0.0004842600000000 ] - [ 0.0041931900000000, 0.0001940500000000, 0.0001390000000000 ] - [ -0.0022252900000000, 0.0000092200000000, 0.0001489800000000 ] - [ -0.0068022500000000, 0.0004512500000000, 0.0003908200000000 ] - [ -0.0025350500000000, -0.0000806600000000, -0.0003699200000000 ] - [ -0.0022570400000000, -0.0003001400000000, 0.0013582200000000 ] - [ -0.0026064900000000, 0.0002291000000000, -0.0002220300000000 ] - [ -0.0029498700000000, 0.0002109400000000, -0.0008362500000000 ] - [ -0.0028489600000000, 0.0001034000000000, 0.0000338800000000 ] - [ -0.0027541700000000, -0.0002608300000000, -0.0004307800000000 ] - [ -0.0030479500000000, -0.0000673600000000, 0.0003226500000000 ] - [ -0.0022379800000000, 0.0001116600000000, 0.0000802000000000 ] - [ -0.0003093100000000, 0.0001783500000000, 0.0000709000000000 ] - [ -0.0025194800000000, -0.0000026000000000, 0.0001249500000000 ] - [ 0.0019166800000000, -0.0003021900000000, -0.0031609600000000 ] - [ 0.0276695900000000, 0.0010163500000000, 0.0030111300000000 ] - [ 0.0075744000000000, 0.0000570700000000, -0.0021885800000000 ] - [ -0.0026410600000000, 0.0001199600000000, 0.0013356800000000 ] - [ -0.0032850300000000, 0.0003768200000000, -0.0009398600000000 ] - [ -0.0036923700000000, 0.0000345500000000, -0.0004825100000000 ] - [ -0.0032362500000000, -0.0002081800000000, 0.0000111600000000 ] - [ -0.0171019400000000, -0.0006970800000000, 0.0110054100000000 ] - [ -0.0034917100000000, 0.0000250800000000, -0.0006731600000000 ] - [ -0.0028867500000000, -0.0000220100000000, -0.0001854200000000 ] - [ -0.0030457700000000, 0.0000506800000000, -0.0002349600000000 ] - [ -0.0050912300000000, 0.0002208100000000, 0.0041530500000000 ] - [ -0.0006831900000000, 0.0001648700000000, -0.0034770600000000 ] - [ 0.0037206500000000, -0.0001773900000000, -0.0005583500000000 ] - [ -0.0115156900000000, 0.0013765700000000, 0.0065981700000000 ] - [ -0.0025514500000000, 0.0002014300000000, 0.0003081600000000 ] - [ -0.0117637200000000, -0.0013662400000000, -0.0018995200000000 ] - [ 0.0018791400000000, -0.0003554300000000, -0.0007985600000000 ] - [ 0.0016149700000000, 0.0000654000000000, 0.0005050600000000 ] - [ -0.0001449000000000, 0.0000108500000000, 0.0042618400000000 ] - [ 0.0021599000000000, 0.0002464500000000, -0.0007794400000000 ] - [ -0.0032793300000000, -0.0002984100000000, -0.0002147900000000 ] - [ 0.0015311300000000, -0.0005424000000000, -0.0002866400000000 ] - [ -0.0326791900000000, -0.0143428000000000, 0.0066124300000000 ] - [ 0.0000739200000000, 0.0001300400000000, 0.0005573300000000 ] - [ 0.0061106400000000, 0.0006612200000000, -0.0004587600000000 ] - [ 0.0022486900000000, -0.0002314000000000, -0.0003634100000000 ] - [ -0.0009312200000000, 0.0002495100000000, 0.0010781100000000 ] - [ -0.0231577100000000, 0.0214438100000000, -0.0065259900000000 ] - [ -0.0030880700000000, 0.0003773700000000, 0.0010960800000000 ] - [ 0.0020037500000000, 0.0000309900000000, -0.0009727100000000 ] - [ 0.0013546000000000, 0.0003319600000000, -0.0009440800000000 ] - [ -0.0070611500000000, -0.0005256600000000, -0.0002316000000000 ] - [ 0.0014478300000000, -0.0000455100000000, 0.0005643300000000 ] - [ 0.0031522800000000, -0.0000692700000000, 0.0017523800000000 ] - [ -0.0157731800000000, -0.0007797500000000, 0.0033605000000000 ] - [ 0.0022271400000000, 0.0008492800000000, -0.0001566100000000 ] - [ 0.0050644200000000, -0.0026249500000000, -0.0042343900000000 ] - [ 0.0016327000000000, 0.0011654000000000, -0.0061987100000000 ] - [ -0.0052974500000000, 0.0010706300000000, 0.0004262900000000 ] - [ -0.0140464600000000, 0.0008268800000000, -0.0008898700000000 ] - [ -0.0135714400000000, -0.0017988300000000, -0.0052780400000000 ] - [ -0.0052638200000000, -0.0006560500000000, 0.0006437700000000 ] - [ -0.0026204300000000, -0.0010377000000000, -0.0008208100000000 ] - [ 0.0015667600000000, 0.0001437100000000, -0.0001148700000000 ] - [ 0.0021610200000000, -0.0006348600000000, -0.0020164900000000 ] - [ 0.0007554300000000, 0.0000048000000000, 0.0014375200000000 ] - [ 0.0018720800000000, 0.0000464800000000, 0.0006555800000000 ] - [ 0.0010050200000000, 0.0006564000000000, -0.0023399300000000 ] - [ 0.0024994500000000, -0.0001082800000000, 0.0008785400000000 ] - [ 0.0060917400000000, 0.0011954500000000, 0.0013440800000000 ] - [ 0.0020525200000000, -0.0000639300000000, -0.0003190700000000 ] - [ 0.0034227700000000, 0.0000348300000000, 0.0007113900000000 ] - [ 0.0017373900000000, 0.0001366200000000, -0.0000566100000000 ] - [ -0.0014872300000000, 0.0003687400000000, 0.0016852700000000 ] - [ 0.0018740200000000, 0.0000460000000000, 0.0003981000000000 ] - [ 0.0019177600000000, -0.0004282800000000, -0.0002415100000000 ] - [ 0.0025573900000000, 0.0000476600000000, -0.0001726000000000 ] - [ 0.0049449400000000, -0.0006221500000000, -0.0050154600000000 ] - [ 0.0031593500000000, 0.0000492000000000, -0.0006245500000000 ] - [ 0.0016691900000000, -0.0001702200000000, -0.0001349600000000 ] - [ 0.0022708400000000, 0.0000817900000000, 0.0026838600000000 ] - [ 0.0014632900000000, -0.0001129000000000, 0.0012639600000000 ] - [ 0.0020356300000000, 0.0000765000000000, -0.0001217800000000 ] - [ -0.0014230400000000, -0.0000135900000000, -0.0009433600000000 ] - [ 0.0016047500000000, -0.0001669400000000, 0.0000049000000000 ] - [ 0.0018405200000000, -0.0000869000000000, -0.0001050600000000 ] - [ 0.0022284100000000, -0.0000408700000000, -0.0002227700000000 ] - [ 0.0015544000000000, 0.0000591600000000, 0.0001321200000000 ] - [ 0.0022981600000000, 0.0000470200000000, 0.0006418400000000 ] - [ 0.0015667800000000, -0.0000569100000000, 0.0001582100000000 ] - [ 0.0021963100000000, 0.0005437600000000, -0.0001891000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0041632000000000, -0.0882947300000000, 0.0158718000000000 ] - [ -0.0002698100000000, 0.0000319500000000, -0.0000180900000000 ] - [ 0.0001119400000000, 0.0037309900000000, -0.0028934100000000 ] - [ 0.0001302200000000, 0.0005374600000000, -0.0001356700000000 ] - [ -0.0010520600000000, 0.0101095300000000, -0.0014186600000000 ] - [ -0.0003956100000000, -0.0000947700000000, 0.0000897400000000 ] - [ -0.0000877000000000, -0.0026458300000000, -0.0003107100000000 ] - [ 0.0007611900000000, -0.0040252500000000, -0.0003652400000000 ] - [ -0.0005036500000000, -0.0004601000000000, -0.0002953700000000 ] - [ -0.0011055600000000, 0.0047498500000000, 0.0021331300000000 ] - [ 0.0000514700000000, -0.0002364900000000, 0.0003099800000000 ] - [ 0.0002688400000000, 0.0008187800000000, 0.0001315500000000 ] - [ 0.0000617400000000, -0.0000162600000000, 0.0000942300000000 ] - [ -0.0005287400000000, -0.0009008800000000, 0.0003495700000000 ] - [ -0.0000930700000000, -0.0000103600000000, -0.0001553800000000 ] - [ 0.0000998000000000, -0.0001116100000000, 0.0000546900000000 ] - [ -0.0000625400000000, -0.0000050100000000, 0.0000220400000000 ] - [ -0.0000508000000000, 0.0001403800000000, 0.0000300500000000 ] - [ -0.0000069700000000, 0.0000088200000000, -0.0002111100000000 ] - [ -0.0000808000000000, 0.0000000800000000, -0.0000033000000000 ] - [ -0.0000586900000000, -0.0000596100000000, 0.0002203200000000 ] - [ -0.0000377500000000, 0.0000737800000000, 0.0001524300000000 ] - [ 0.0001037300000000, 0.0000832000000000, 0.0000037700000000 ] - [ 0.0000706000000000, 0.0000234000000000, 0.0001278300000000 ] - [ -0.0005572000000000, 0.0004935100000000, -0.0004392700000000 ] - [ 0.0022880400000000, 0.0250906000000000, -0.0101771800000000 ] - [ -0.0004792300000000, -0.0048240900000000, 0.0053018600000000 ] - [ -0.0000798200000000, -0.0001513800000000, -0.0001881700000000 ] - [ -0.0002552100000000, 0.0001119300000000, 0.0000581600000000 ] - [ -0.0000387000000000, 0.0000479800000000, -0.0000814300000000 ] - [ -0.0000774500000000, 0.0000074200000000, -0.0002527000000000 ] - [ 0.0050349500000000, -0.0049400300000000, -0.0035151800000000 ] - [ -0.0000859200000000, -0.0000664200000000, -0.0001630000000000 ] - [ -0.0000195600000000, 0.0000501400000000, -0.0000598000000000 ] - [ -0.0000181300000000, -0.0000433100000000, -0.0000106500000000 ] - [ -0.0005659700000000, 0.0009369700000000, 0.0006335500000000 ] - [ 0.0001858300000000, -0.0001592500000000, -0.0006568500000000 ] - [ 0.0008567600000000, -0.0009068900000000, -0.0000335800000000 ] - [ -0.0011901300000000, 0.0228157600000000, 0.0080840400000000 ] - [ -0.0000063500000000, 0.0000727700000000, -0.0001428800000000 ] - [ 0.0002961300000000, 0.0067901900000000, 0.0069558700000000 ] - [ 0.0000993500000000, -0.0001780800000000, 0.0000772200000000 ] - [ 0.0002263800000000, 0.0001717200000000, -0.0001361400000000 ] - [ 0.0002209300000000, -0.0004924800000000, -0.0001057900000000 ] - [ 0.0001396400000000, 0.0001876000000000, -0.0000296600000000 ] - [ -0.0012176600000000, 0.0002787000000000, -0.0019185900000000 ] - [ -0.0000268300000000, -0.0001077900000000, -0.0001531500000000 ] - [ 0.0138633600000000, 0.0119787800000000, -0.0050042500000000 ] - [ 0.0003682000000000, -0.0000249100000000, 0.0001836600000000 ] - [ -0.0022859100000000, -0.0002183300000000, 0.0001625800000000 ] - [ 0.0000340300000000, -0.0000593100000000, -0.0000707600000000 ] - [ 0.0003888600000000, 0.0001608600000000, 0.0005995600000000 ] - [ -0.0197030200000000, 0.0216796700000000, -0.0108517000000000 ] - [ 0.0000131500000000, 0.0000161100000000, 0.0001676700000000 ] - [ -0.0000295800000000, 0.0000934400000000, 0.0000817900000000 ] - [ 0.0001851300000000, 0.0000640500000000, 0.0002465100000000 ] - [ -0.0010032600000000, -0.0012328100000000, 0.0027993000000000 ] - [ 0.0002750100000000, -0.0002259100000000, -0.0001298200000000 ] - [ 0.0002851400000000, -0.0000541800000000, -0.0000584800000000 ] - [ 0.0000627300000000, 0.0005721200000000, 0.0005791100000000 ] - [ -0.0001618300000000, 0.0000494900000000, -0.0002247000000000 ] - [ 0.0013491900000000, 0.0017893600000000, -0.0002266800000000 ] - [ -0.0010493500000000, -0.0001545800000000, 0.0023888100000000 ] - [ 0.0013440700000000, 0.0000261500000000, -0.0016665800000000 ] - [ -0.0015475700000000, 0.0020222900000000, 0.0012005500000000 ] - [ -0.0000045400000000, -0.0009082200000000, -0.0043207100000000 ] - [ -0.0002510000000000, 0.0014673500000000, 0.0008762300000000 ] - [ 0.0000656300000000, 0.0000964200000000, -0.0005754900000000 ] - [ -0.0001011100000000, 0.0001891600000000, -0.0001178100000000 ] - [ -0.0003605200000000, -0.0004526300000000, -0.0000517300000000 ] - [ 0.0001102300000000, 0.0001351600000000, 0.0001314600000000 ] - [ 0.0000483800000000, 0.0000534100000000, 0.0001607300000000 ] - [ 0.0002082300000000, 0.0002049200000000, -0.0005510400000000 ] - [ 0.0000964800000000, 0.0000800900000000, 0.0000145500000000 ] - [ -0.0006909000000000, -0.0037459800000000, -0.0013544600000000 ] - [ -0.0001081400000000, -0.0000139600000000, 0.0000955600000000 ] - [ 0.0001800200000000, 0.0000745700000000, 0.0000862400000000 ] - [ 0.0000806700000000, -0.0000199300000000, 0.0001006500000000 ] - [ -0.0003770000000000, 0.0001785600000000, 0.0003758800000000 ] - [ 0.0000547200000000, 0.0001041100000000, 0.0002138400000000 ] - [ 0.0001562000000000, 0.0000666600000000, -0.0001717000000000 ] - [ -0.0000720000000000, 0.0000196600000000, 0.0000825600000000 ] - [ 0.0017782700000000, -0.0021334400000000, -0.0025780100000000 ] - [ 0.0003682100000000, -0.0000012700000000, -0.0000554800000000 ] - [ -0.0001127600000000, -0.0001809300000000, -0.0000927700000000 ] - [ 0.0007609400000000, -0.0000633700000000, 0.0003916300000000 ] - [ 0.0000850800000000, -0.0000723100000000, 0.0003058600000000 ] - [ -0.0000062900000000, -0.0000476800000000, 0.0000849400000000 ] - [ -0.0005617200000000, 0.0001592000000000, -0.0002824000000000 ] - [ 0.0000097700000000, -0.0001042800000000, 0.0002128200000000 ] - [ -0.0000010300000000, -0.0000732200000000, 0.0001167000000000 ] - [ 0.0000044500000000, 0.0000420700000000, 0.0000501400000000 ] - [ -0.0001012400000000, 0.0001805800000000, -0.0000013300000000 ] - [ 0.0001164400000000, -0.0000755500000000, 0.0000783500000000 ] - [ -0.0001000300000000, -0.0001870800000000, -0.0000288000000000 ] - [ 0.0001173900000000, -0.0000872800000000, -0.0002038900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031728600000000, 0.0875856700000000, -0.0155213200000000 ] - [ 0.0000394200000000, 0.0000237800000000, 0.0002455100000000 ] - [ -0.0001194400000000, -0.0037100700000000, 0.0025014900000000 ] - [ -0.0000794700000000, -0.0005513900000000, 0.0001714300000000 ] - [ 0.0010724000000000, -0.0101258700000000, 0.0013453400000000 ] - [ 0.0004533400000000, 0.0001076700000000, -0.0000598000000000 ] - [ 0.0001048600000000, 0.0026523200000000, -0.0000520600000000 ] - [ -0.0008241900000000, 0.0040497900000000, 0.0003657000000000 ] - [ 0.0005047500000000, 0.0002891300000000, 0.0006791100000000 ] - [ 0.0011454200000000, -0.0045973300000000, -0.0017670400000000 ] - [ -0.0002860900000000, 0.0001807100000000, -0.0000880300000000 ] - [ -0.0000363800000000, -0.0007586100000000, 0.0000993700000000 ] - [ 0.0001621100000000, -0.0000383900000000, 0.0001316200000000 ] - [ 0.0002937900000000, 0.0009571800000000, -0.0001255500000000 ] - [ 0.0000895200000000, 0.0000089700000000, -0.0001990300000000 ] - [ -0.0000458700000000, 0.0001015500000000, -0.0000208600000000 ] - [ 0.0000019300000000, -0.0000061200000000, 0.0000092000000000 ] - [ 0.0001033300000000, -0.0001288600000000, -0.0000015900000000 ] - [ 0.0000012300000000, -0.0000094600000000, -0.0001436100000000 ] - [ 0.0000202700000000, 0.0000100700000000, 0.0000332600000000 ] - [ 0.0000530700000000, -0.0001125800000000, 0.0001555300000000 ] - [ 0.0000345600000000, 0.0000977000000000, 0.0002267000000000 ] - [ -0.0003279000000000, -0.0001388300000000, 0.0002209600000000 ] - [ 0.0001552000000000, 0.0000343300000000, 0.0000966400000000 ] - [ 0.0005621300000000, -0.0006531300000000, 0.0001242300000000 ] - [ -0.0022017200000000, -0.0250622000000000, 0.0104422400000000 ] - [ 0.0005632600000000, 0.0047036800000000, -0.0053006500000000 ] - [ -0.0000021500000000, 0.0000541400000000, 0.0001415400000000 ] - [ 0.0001760300000000, -0.0000167700000000, -0.0001141700000000 ] - [ 0.0000287700000000, -0.0000510000000000, -0.0003201500000000 ] - [ 0.0000725000000000, -0.0000066700000000, -0.0001502900000000 ] - [ -0.0050983700000000, 0.0051344000000000, 0.0032348100000000 ] - [ 0.0000777200000000, -0.0000911800000000, -0.0001540200000000 ] - [ 0.0000919200000000, 0.0000448900000000, 0.0000075100000000 ] - [ 0.0000887300000000, -0.0000555100000000, -0.0000421900000000 ] - [ 0.0004782300000000, -0.0010324400000000, -0.0006745500000000 ] - [ -0.0002607900000000, 0.0002555300000000, 0.0005963900000000 ] - [ -0.0008486900000000, 0.0009001100000000, -0.0003616300000000 ] - [ 0.0009579700000000, -0.0227828200000000, -0.0084510700000000 ] - [ 0.0000023500000000, 0.0000858600000000, -0.0001682300000000 ] - [ -0.0005708400000000, -0.0065209400000000, -0.0074354800000000 ] - [ 0.0001444600000000, -0.0001299400000000, -0.0000969200000000 ] - [ 0.0000142700000000, 0.0001392700000000, 0.0001192500000000 ] - [ -0.0002213400000000, 0.0006169200000000, 0.0005036600000000 ] - [ 0.0001024800000000, 0.0001582600000000, -0.0001749900000000 ] - [ 0.0013930500000000, -0.0001638100000000, 0.0019780800000000 ] - [ -0.0001671600000000, -0.0000789100000000, -0.0002485600000000 ] - [ -0.0136550800000000, -0.0118571600000000, 0.0049598500000000 ] - [ -0.0001350200000000, 0.0000444300000000, -0.0000651400000000 ] - [ 0.0025470200000000, 0.0001973500000000, -0.0000400900000000 ] - [ -0.0002201000000000, -0.0000532600000000, 0.0001464300000000 ] - [ -0.0003898900000000, 0.0000528600000000, -0.0001953700000000 ] - [ 0.0189571900000000, -0.0205126500000000, 0.0099792100000000 ] - [ -0.0002445400000000, 0.0000043100000000, -0.0000531000000000 ] - [ -0.0001587200000000, 0.0000120700000000, -0.0000085600000000 ] - [ -0.0000401800000000, 0.0000268500000000, -0.0000771000000000 ] - [ 0.0007598100000000, 0.0008990400000000, -0.0030231800000000 ] - [ -0.0000344100000000, -0.0001227400000000, -0.0000767500000000 ] - [ -0.0001404600000000, -0.0000365400000000, 0.0002321900000000 ] - [ -0.0000876600000000, -0.0009750500000000, -0.0002101900000000 ] - [ -0.0000312000000000, 0.0001391600000000, -0.0001750600000000 ] - [ -0.0013553200000000, -0.0020171600000000, 0.0006365100000000 ] - [ 0.0010581200000000, 0.0000285700000000, -0.0020123900000000 ] - [ -0.0014851200000000, 0.0000634700000000, 0.0018264900000000 ] - [ 0.0012675700000000, -0.0015552200000000, -0.0010098800000000 ] - [ 0.0000197300000000, 0.0005760900000000, 0.0045786100000000 ] - [ 0.0000029700000000, -0.0017660600000000, -0.0008884300000000 ] - [ 0.0001246300000000, -0.0002850600000000, 0.0001749600000000 ] - [ -0.0001361900000000, 0.0001578800000000, -0.0000877000000000 ] - [ 0.0006066800000000, 0.0001398300000000, 0.0000298200000000 ] - [ 0.0001304400000000, 0.0001770600000000, -0.0001451900000000 ] - [ -0.0000461400000000, 0.0000701600000000, 0.0002313300000000 ] - [ 0.0000320500000000, 0.0001426900000000, 0.0003397800000000 ] - [ 0.0000966600000000, 0.0000313000000000, 0.0000630800000000 ] - [ 0.0005014500000000, 0.0035604400000000, 0.0009663600000000 ] - [ -0.0001225600000000, -0.0000039000000000, 0.0000231200000000 ] - [ 0.0000561500000000, -0.0000559400000000, 0.0000340900000000 ] - [ 0.0001520700000000, 0.0000002300000000, 0.0000172000000000 ] - [ 0.0001805100000000, -0.0002874100000000, -0.0002963100000000 ] - [ -0.0000521500000000, 0.0001097800000000, 0.0001948700000000 ] - [ 0.0000461200000000, 0.0001175800000000, -0.0002319900000000 ] - [ -0.0001550900000000, -0.0000000600000000, 0.0000364500000000 ] - [ -0.0019467900000000, 0.0022421500000000, 0.0026278800000000 ] - [ -0.0002175800000000, 0.0000906600000000, 0.0002272000000000 ] - [ -0.0001240700000000, -0.0001670800000000, -0.0001124500000000 ] - [ -0.0005156100000000, -0.0002827300000000, -0.0005896600000000 ] - [ 0.0000572900000000, -0.0000165500000000, -0.0001334200000000 ] - [ -0.0001313600000000, -0.0000420400000000, 0.0000833300000000 ] - [ 0.0003604200000000, 0.0000267200000000, -0.0001207100000000 ] - [ -0.0000074000000000, -0.0001110900000000, 0.0001933400000000 ] - [ 0.0000031300000000, -0.0000498400000000, 0.0002771300000000 ] - [ -0.0001398300000000, 0.0000448000000000, 0.0001177900000000 ] - [ -0.0001360800000000, 0.0001298900000000, -0.0000183700000000 ] - [ 0.0000805500000000, -0.0000328500000000, -0.0000028200000000 ] - [ -0.0001378500000000, -0.0001227500000000, 0.0000130700000000 ] - [ 0.0000800500000000, -0.0001013300000000, -0.0001940200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0050798200000000, 0.0160011600000000, -0.0940281200000000 ] - [ 0.0003466500000000, 0.0001600800000000, 0.0010985700000000 ] - [ 0.0078937300000000, 0.0011435100000000, 0.0019804600000000 ] - [ -0.0020689300000000, -0.0001572200000000, 0.0005090500000000 ] - [ -0.0098783800000000, 0.0013946900000000, 0.0045187800000000 ] - [ 0.0021832300000000, -0.0002993200000000, 0.0000644600000000 ] - [ -0.0093554800000000, -0.0004505800000000, 0.0077710100000000 ] - [ 0.0089949100000000, 0.0000253100000000, 0.0146113500000000 ] - [ -0.0017620000000000, -0.0005489600000000, 0.0045338300000000 ] - [ 0.0055657700000000, -0.0017221000000000, -0.0072662900000000 ] - [ -0.0007259400000000, 0.0001693600000000, -0.0010249500000000 ] - [ 0.0000959900000000, 0.0000161600000000, 0.0097866000000000 ] - [ 0.0000849300000000, -0.0000466300000000, 0.0002723400000000 ] - [ 0.0001664000000000, -0.0002075800000000, -0.0027167800000000 ] - [ 0.0002809200000000, 0.0000267500000000, -0.0001342400000000 ] - [ -0.0008831000000000, -0.0000896000000000, 0.0005256000000000 ] - [ -0.0001838200000000, 0.0000104900000000, 0.0000285700000000 ] - [ 0.0009826300000000, -0.0001574400000000, -0.0002642100000000 ] - [ -0.0003283000000000, 0.0000274200000000, -0.0001956700000000 ] - [ 0.0000720400000000, 0.0000179400000000, 0.0000044200000000 ] - [ -0.0003194500000000, 0.0000012800000000, -0.0002864700000000 ] - [ 0.0002432300000000, 0.0001552800000000, 0.0006139400000000 ] - [ -0.0001681900000000, -0.0001382900000000, 0.0019722500000000 ] - [ 0.0001105400000000, 0.0000152400000000, -0.0000481900000000 ] - [ 0.0017679100000000, -0.0005587300000000, 0.0036797400000000 ] - [ -0.0036715700000000, 0.0017613100000000, 0.0124568400000000 ] - [ -0.0004672400000000, -0.0006185900000000, 0.0238648300000000 ] - [ -0.0007411600000000, 0.0000349700000000, 0.0005193200000000 ] - [ 0.0008386100000000, 0.0000456400000000, -0.0003747900000000 ] - [ 0.0000184600000000, -0.0001622900000000, -0.0007889600000000 ] - [ -0.0000815500000000, -0.0001316900000000, 0.0003086000000000 ] - [ -0.0082196600000000, -0.0008508900000000, -0.0000120900000000 ] - [ 0.0002009000000000, -0.0000458200000000, -0.0004136700000000 ] - [ 0.0000248900000000, 0.0000370800000000, 0.0000359500000000 ] - [ 0.0000072200000000, -0.0000576100000000, -0.0000730600000000 ] - [ -0.0026717000000000, -0.0003373600000000, 0.0003451300000000 ] - [ 0.0014790200000000, -0.0000864400000000, 0.0010257500000000 ] - [ 0.0018302200000000, -0.0019492900000000, 0.0075134000000000 ] - [ -0.0047969600000000, -0.0062090300000000, -0.0221551000000000 ] - [ -0.0002051600000000, 0.0001698000000000, 0.0001612900000000 ] - [ 0.0020174200000000, 0.0076926800000000, 0.0185721000000000 ] - [ 0.0006252500000000, -0.0001856000000000, -0.0004893200000000 ] - [ -0.0004180600000000, 0.0001288300000000, 0.0004395400000000 ] - [ -0.0036480900000000, -0.0007031400000000, -0.0013978000000000 ] - [ 0.0007110400000000, 0.0003506100000000, -0.0001791200000000 ] - [ -0.0037252700000000, 0.0002424600000000, -0.0077864500000000 ] - [ -0.0002433800000000, -0.0000394100000000, -0.0005350000000000 ] - [ -0.0067347200000000, -0.0049026100000000, 0.0123434200000000 ] - [ -0.0011379800000000, 0.0006372500000000, -0.0018868600000000 ] - [ 0.0027985400000000, 0.0010960500000000, 0.0017985800000000 ] - [ -0.0004941800000000, -0.0000991600000000, 0.0004634800000000 ] - [ -0.0019275200000000, 0.0004786700000000, -0.0024657100000000 ] - [ 0.0063987300000000, -0.0084352800000000, 0.0156212800000000 ] - [ -0.0006613900000000, -0.0005487200000000, -0.0044175500000000 ] - [ 0.0002125800000000, -0.0000314400000000, -0.0003796000000000 ] - [ 0.0006316500000000, -0.0000320100000000, -0.0008070500000000 ] - [ 0.0009203900000000, -0.0020646600000000, -0.0086998700000000 ] - [ -0.0004647000000000, 0.0000449000000000, -0.0001376100000000 ] - [ -0.0008221400000000, -0.0001786700000000, 0.0009115800000000 ] - [ -0.0034272100000000, -0.0027658100000000, 0.0087783100000000 ] - [ 0.0001193200000000, 0.0001894900000000, 0.0001037500000000 ] - [ 0.0038533400000000, -0.0007524000000000, 0.0019266300000000 ] - [ 0.0029170700000000, -0.0006919200000000, -0.0006814400000000 ] - [ 0.0036751200000000, -0.0007260900000000, -0.0074743900000000 ] - [ 0.0011180700000000, 0.0014955000000000, 0.0061503000000000 ] - [ 0.0050572300000000, -0.0007115200000000, 0.0130904200000000 ] - [ -0.0006220300000000, 0.0022811900000000, -0.0079984400000000 ] - [ 0.0007358700000000, 0.0002663800000000, -0.0061666200000000 ] - [ -0.0000964000000000, 0.0001328400000000, -0.0001127800000000 ] - [ 0.0019309500000000, -0.0000306700000000, 0.0003776500000000 ] - [ -0.0009893000000000, 0.0002118100000000, -0.0007032200000000 ] - [ -0.0002608900000000, 0.0001490500000000, 0.0003179400000000 ] - [ 0.0013388300000000, -0.0000726900000000, -0.0008027200000000 ] - [ 0.0001312100000000, 0.0000363100000000, 0.0002035500000000 ] - [ -0.0022730800000000, 0.0007048900000000, 0.0053352800000000 ] - [ 0.0000028600000000, -0.0000660600000000, -0.0001558200000000 ] - [ -0.0000386700000000, 0.0000259100000000, 0.0005144800000000 ] - [ 0.0002016500000000, 0.0000176000000000, -0.0004568700000000 ] - [ -0.0010090500000000, -0.0002200900000000, -0.0021466300000000 ] - [ -0.0001900400000000, 0.0000864400000000, 0.0004154600000000 ] - [ 0.0000725300000000, 0.0001153500000000, -0.0004027500000000 ] - [ -0.0001867200000000, -0.0000679400000000, 0.0001980400000000 ] - [ 0.0025546100000000, 0.0003461400000000, 0.0039168600000000 ] - [ 0.0011881200000000, 0.0004080000000000, 0.0006654500000000 ] - [ -0.0000745800000000, -0.0001884200000000, -0.0000899500000000 ] - [ -0.0016090000000000, -0.0004587500000000, -0.0000126000000000 ] - [ -0.0006298400000000, 0.0002184300000000, -0.0005844600000000 ] - [ -0.0001202300000000, -0.0000168000000000, 0.0000117800000000 ] - [ 0.0002557700000000, 0.0004028100000000, -0.0037667700000000 ] - [ 0.0002048300000000, -0.0001460100000000, -0.0000413900000000 ] - [ 0.0003051200000000, 0.0000139700000000, 0.0001606500000000 ] - [ -0.0000396800000000, 0.0000607300000000, 0.0001759600000000 ] - [ -0.0000898200000000, 0.0001298000000000, -0.0000566200000000 ] - [ 0.0001599100000000, -0.0000258100000000, -0.0001050600000000 ] - [ -0.0001010700000000, -0.0001166100000000, 0.0000602800000000 ] - [ 0.0001576100000000, -0.0000738700000000, -0.0000317900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0047196000000000, -0.0153690300000000, 0.0944713100000000 ] - [ -0.0005827400000000, -0.0000940500000000, -0.0008668000000000 ] - [ -0.0079268600000000, -0.0011495500000000, -0.0022940700000000 ] - [ 0.0021261700000000, 0.0001401300000000, -0.0004663500000000 ] - [ 0.0098897100000000, -0.0014063100000000, -0.0044421000000000 ] - [ -0.0021112700000000, 0.0003124700000000, -0.0000397500000000 ] - [ 0.0092840900000000, 0.0004462800000000, -0.0080945400000000 ] - [ -0.0089612400000000, -0.0000087800000000, -0.0144488800000000 ] - [ 0.0017820800000000, 0.0003792900000000, -0.0041509000000000 ] - [ -0.0055878600000000, 0.0018847900000000, 0.0075891600000000 ] - [ 0.0004774600000000, -0.0002346900000000, 0.0012487900000000 ] - [ 0.0001487900000000, 0.0000572100000000, -0.0095601200000000 ] - [ 0.0001552900000000, -0.0000192300000000, -0.0000427700000000 ] - [ -0.0003906200000000, 0.0002737400000000, 0.0029390100000000 ] - [ -0.0002809700000000, -0.0000261100000000, -0.0002177300000000 ] - [ 0.0009412000000000, 0.0000753600000000, -0.0004952600000000 ] - [ 0.0001208400000000, -0.0000253000000000, 0.0000032000000000 ] - [ -0.0009187900000000, 0.0001730800000000, 0.0003040000000000 ] - [ 0.0003266800000000, -0.0000278000000000, -0.0001571100000000 ] - [ -0.0001327900000000, -0.0000049900000000, 0.0000291500000000 ] - [ 0.0003208800000000, -0.0001725800000000, 0.0006525300000000 ] - [ -0.0002461100000000, 0.0000161000000000, -0.0002417300000000 ] - [ -0.0000821900000000, 0.0000702500000000, -0.0017410000000000 ] - [ 0.0001305600000000, 0.0000501000000000, 0.0002755000000000 ] - [ -0.0017488000000000, 0.0003468200000000, -0.0039854500000000 ] - [ 0.0037481900000000, -0.0017647100000000, -0.0124676400000000 ] - [ 0.0005411800000000, 0.0004396400000000, -0.0240824900000000 ] - [ 0.0006547400000000, -0.0001269500000000, -0.0005513200000000 ] - [ -0.0009249900000000, 0.0000459300000000, 0.0003307100000000 ] - [ -0.0000207600000000, 0.0001614500000000, 0.0003478400000000 ] - [ 0.0000798200000000, 0.0001349000000000, -0.0007442300000000 ] - [ 0.0081703200000000, 0.0010923700000000, -0.0002152000000000 ] - [ -0.0001979800000000, -0.0001633100000000, 0.0001156300000000 ] - [ 0.0000613500000000, 0.0000572200000000, -0.0000744500000000 ] - [ 0.0000768500000000, -0.0000357300000000, 0.0000334900000000 ] - [ 0.0025903100000000, 0.0002385600000000, -0.0003978400000000 ] - [ -0.0015745400000000, 0.0001739700000000, -0.0010481300000000 ] - [ -0.0018570900000000, 0.0019481100000000, -0.0079450000000000 ] - [ 0.0048747900000000, 0.0061789700000000, 0.0216216100000000 ] - [ 0.0001992800000000, 0.0000407000000000, -0.0004627200000000 ] - [ -0.0024131500000000, -0.0080718400000000, -0.0201869600000000 ] - [ -0.0004068200000000, -0.0000604200000000, 0.0004865300000000 ] - [ 0.0006348200000000, 0.0001196200000000, -0.0004336500000000 ] - [ 0.0036306700000000, 0.0008208700000000, 0.0019179900000000 ] - [ -0.0005034900000000, -0.0000285400000000, -0.0000180100000000 ] - [ 0.0039783100000000, -0.0001743300000000, 0.0078611900000000 ] - [ 0.0000506700000000, -0.0001642100000000, 0.0000968800000000 ] - [ 0.0066211200000000, 0.0049538400000000, -0.0122691100000000 ] - [ 0.0013412800000000, -0.0006332300000000, 0.0019366100000000 ] - [ -0.0025476200000000, -0.0010974800000000, -0.0017478800000000 ] - [ 0.0002486000000000, 0.0000406900000000, -0.0003846200000000 ] - [ 0.0019126500000000, -0.0002548200000000, 0.0028497600000000 ] - [ -0.0062984600000000, 0.0087395700000000, -0.0160096400000000 ] - [ 0.0004229300000000, 0.0005455000000000, 0.0044668300000000 ] - [ -0.0004591100000000, 0.0000893200000000, 0.0004546500000000 ] - [ -0.0004388200000000, 0.0001133400000000, 0.0009918500000000 ] - [ -0.0011255700000000, 0.0017704500000000, 0.0085045600000000 ] - [ 0.0006682500000000, -0.0003683600000000, -0.0000600400000000 ] - [ 0.0010245500000000, 0.0000982700000000, -0.0007109900000000 ] - [ 0.0033661800000000, 0.0024442000000000, -0.0083403200000000 ] - [ -0.0003110100000000, 0.0000154800000000, -0.0005379900000000 ] - [ -0.0038478000000000, 0.0005202800000000, -0.0015664600000000 ] - [ -0.0029186700000000, 0.0005683100000000, 0.0011489000000000 ] - [ -0.0038828600000000, 0.0008185000000000, 0.0076709400000000 ] - [ -0.0013830700000000, -0.0008438600000000, -0.0054307200000000 ] - [ -0.0048882900000000, 0.0005087600000000, -0.0128617600000000 ] - [ 0.0004069200000000, -0.0025557500000000, 0.0080498400000000 ] - [ -0.0005270100000000, -0.0004636600000000, 0.0057245100000000 ] - [ -0.0001083700000000, 0.0001910700000000, -0.0000874600000000 ] - [ -0.0017105300000000, -0.0002147700000000, -0.0003676900000000 ] - [ 0.0012124700000000, 0.0000400700000000, 0.0006968200000000 ] - [ 0.0002608000000000, -0.0000203400000000, 0.0001888000000000 ] - [ -0.0011270100000000, 0.0003929300000000, 0.0006133700000000 ] - [ 0.0001190800000000, 0.0000203100000000, -0.0001230900000000 ] - [ 0.0020482000000000, -0.0008931200000000, -0.0057807100000000 ] - [ -0.0002161200000000, 0.0000637400000000, 0.0002079100000000 ] - [ 0.0002512000000000, -0.0000253400000000, -0.0004621500000000 ] - [ 0.0000156900000000, -0.0000193900000000, 0.0005096300000000 ] - [ 0.0007786100000000, 0.0001599300000000, 0.0022125900000000 ] - [ 0.0001902300000000, 0.0001361700000000, -0.0000288600000000 ] - [ 0.0001218700000000, 0.0000881900000000, -0.0000346600000000 ] - [ -0.0000290900000000, 0.0000689700000000, -0.0001434800000000 ] - [ -0.0028146700000000, -0.0002945500000000, -0.0038070600000000 ] - [ -0.0009894800000000, -0.0003252800000000, -0.0004681100000000 ] - [ -0.0001311100000000, -0.0001336200000000, -0.0001101300000000 ] - [ 0.0018147200000000, 0.0001319800000000, -0.0001989700000000 ] - [ 0.0008331600000000, -0.0003008500000000, 0.0007699000000000 ] - [ -0.0000778800000000, -0.0000635200000000, 0.0001790600000000 ] - [ -0.0004358500000000, -0.0001946400000000, 0.0033259100000000 ] - [ -0.0002043200000000, -0.0000720800000000, 0.0004282800000000 ] - [ -0.0003050200000000, -0.0001412000000000, 0.0003494300000000 ] - [ -0.0001634000000000, 0.0000199500000000, 0.0000192100000000 ] - [ -0.0001293500000000, 0.0001168800000000, 0.0000557200000000 ] - [ 0.0000880400000000, -0.0000275700000000, 0.0001821600000000 ] - [ -0.0001167600000000, -0.0001313200000000, -0.0000569000000000 ] - [ 0.0000343100000000, -0.0001314300000000, -0.0004007600000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010840600000000, 0.0000950100000000, 0.0080322500000000 ] - [ 0.0024273000000000, -0.0000664200000000, -0.0001726400000000 ] - [ -0.0565822300000000, -0.0018853800000000, -0.0001777100000000 ] - [ 0.0036258800000000, 0.0003602500000000, -0.0003971100000000 ] - [ 0.0136618100000000, -0.0007198600000000, 0.0027446700000000 ] - [ 0.0022399000000000, -0.0001852200000000, -0.0003108500000000 ] - [ -0.0057683600000000, -0.0002105500000000, -0.0001803500000000 ] - [ -0.0007760700000000, -0.0000663000000000, -0.0004817200000000 ] - [ 0.0038447400000000, 0.0000882600000000, -0.0016258300000000 ] - [ 0.0017349300000000, 0.0003792900000000, 0.0019241200000000 ] - [ 0.0027430700000000, -0.0000207300000000, 0.0004388900000000 ] - [ -0.0012084400000000, 0.0001233900000000, -0.0092320900000000 ] - [ 0.0026458200000000, -0.0001156600000000, 0.0003893600000000 ] - [ -0.0012695500000000, 0.0001349700000000, -0.0077888500000000 ] - [ 0.0027131700000000, 0.0000821600000000, -0.0001778300000000 ] - [ -0.0006879600000000, -0.0000807300000000, 0.0005067900000000 ] - [ 0.0021664500000000, -0.0002003800000000, 0.0003405900000000 ] - [ 0.0135788600000000, -0.0007049000000000, -0.0026925200000000 ] - [ 0.0031302900000000, -0.0001189600000000, -0.0001768700000000 ] - [ 0.0035466000000000, 0.0003749600000000, 0.0004272100000000 ] - [ 0.0017400500000000, 0.0002136100000000, -0.0015430900000000 ] - [ 0.0038431300000000, 0.0002524000000000, 0.0019926200000000 ] - [ -0.0014058200000000, 0.0000693300000000, 0.0094087200000000 ] - [ 0.0029604000000000, 0.0000283700000000, -0.0002186400000000 ] - [ 0.0022171600000000, 0.0000310700000000, -0.0009312600000000 ] - [ -0.0035720500000000, 0.0005128600000000, 0.0002542300000000 ] - [ 0.0031668500000000, -0.0015979300000000, -0.0140255100000000 ] - [ 0.0035222100000000, 0.0000271000000000, -0.0003655200000000 ] - [ 0.0029561500000000, -0.0000516100000000, -0.0001239400000000 ] - [ 0.0037033700000000, -0.0000426400000000, -0.0001814500000000 ] - [ 0.0037962600000000, 0.0002391000000000, -0.0001820900000000 ] - [ 0.0041615400000000, 0.0004416400000000, 0.0010918300000000 ] - [ 0.0041604800000000, 0.0002768100000000, -0.0014069500000000 ] - [ 0.0035687800000000, 0.0001179200000000, 0.0003072500000000 ] - [ 0.0030042400000000, -0.0001433300000000, 0.0000662200000000 ] - [ -0.0035976700000000, 0.0004263600000000, -0.0003224700000000 ] - [ 0.0031260700000000, -0.0015525600000000, 0.0138808100000000 ] - [ -0.0220106400000000, 0.0050881100000000, -0.0001570500000000 ] - [ -0.0239837600000000, 0.0080580000000000, -0.0002777800000000 ] - [ 0.0022219300000000, 0.0001939300000000, 0.0006062600000000 ] - [ -0.0006148800000000, -0.0031373800000000, -0.0026368900000000 ] - [ -0.0018840600000000, -0.0000627400000000, 0.0002830600000000 ] - [ -0.0015112600000000, 0.0000750900000000, 0.0000225700000000 ] - [ -0.0009312500000000, 0.0003279100000000, 0.0003575800000000 ] - [ -0.0019543200000000, 0.0000920400000000, -0.0001210300000000 ] - [ 0.0149385900000000, -0.0001809500000000, 0.0067680400000000 ] - [ -0.0021571500000000, 0.0005103300000000, -0.0001644500000000 ] - [ -0.0028068200000000, 0.0002510600000000, -0.0021254800000000 ] - [ -0.0019258700000000, -0.0001821900000000, 0.0003292900000000 ] - [ -0.0028910400000000, -0.0003592500000000, -0.0009146000000000 ] - [ -0.0024236800000000, 0.0000622200000000, 0.0007291700000000 ] - [ -0.0010670800000000, 0.0000233200000000, 0.0009522900000000 ] - [ 0.0166673000000000, -0.0053317600000000, 0.0017044900000000 ] - [ -0.0015349000000000, -0.0000649400000000, 0.0019800700000000 ] - [ -0.0026903700000000, -0.0000230700000000, 0.0009090700000000 ] - [ -0.0025802300000000, -0.0000300700000000, 0.0000656300000000 ] - [ 0.0021695200000000, -0.0008446500000000, 0.0011446000000000 ] - [ -0.0015457500000000, -0.0002120400000000, -0.0001191100000000 ] - [ -0.0020815600000000, 0.0001066700000000, -0.0004496500000000 ] - [ 0.0011078000000000, 0.0006212300000000, -0.0014452300000000 ] - [ -0.0022923600000000, -0.0005680400000000, -0.0002602100000000 ] - [ -0.0028898800000000, -0.0003368500000000, -0.0007506900000000 ] - [ -0.0034090800000000, 0.0004538900000000, -0.0000143300000000 ] - [ -0.0034757500000000, 0.0016613600000000, 0.0047626400000000 ] - [ 0.0016831900000000, -0.0003176300000000, -0.0013297300000000 ] - [ 0.0066080100000000, -0.0011537700000000, 0.0011181400000000 ] - [ 0.0007538100000000, 0.0027609000000000, 0.0061192900000000 ] - [ 0.0070246500000000, 0.0009317500000000, 0.0018502200000000 ] - [ -0.0017756100000000, 0.0001054800000000, -0.0000719000000000 ] - [ 0.0019007900000000, -0.0005909100000000, 0.0013263000000000 ] - [ 0.0007020700000000, 0.0031539900000000, -0.0061952100000000 ] - [ -0.0034017500000000, 0.0005681800000000, 0.0004650500000000 ] - [ 0.0023895400000000, -0.0005273600000000, -0.0013296200000000 ] - [ -0.0022280600000000, 0.0001938500000000, -0.0006491300000000 ] - [ 0.0163492100000000, -0.0054057400000000, -0.0019198200000000 ] - [ -0.0021581300000000, -0.0001782300000000, -0.0002298700000000 ] - [ -0.0025818100000000, 0.0002422300000000, 0.0022089600000000 ] - [ -0.0013084400000000, -0.0000624200000000, -0.0018771500000000 ] - [ 0.0146620000000000, -0.0003903600000000, -0.0067272000000000 ] - [ -0.0028858200000000, -0.0001463900000000, 0.0011396900000000 ] - [ -0.0019502800000000, 0.0007002600000000, -0.0002641500000000 ] - [ -0.0031204800000000, -0.0003600000000000, 0.0010082600000000 ] - [ 0.0063957600000000, -0.0010285400000000, -0.0010177900000000 ] - [ 0.0012446800000000, 0.0006929900000000, 0.0016191200000000 ] - [ -0.0021829200000000, -0.0002247800000000, -0.0000706500000000 ] - [ -0.0006670000000000, -0.0035961300000000, 0.0024716300000000 ] - [ -0.0033286100000000, 0.0016023300000000, -0.0045671700000000 ] - [ -0.0027323500000000, -0.0001039300000000, 0.0001138000000000 ] - [ 0.0068027500000000, 0.0011087800000000, -0.0022936400000000 ] - [ -0.0010705200000000, -0.0001631500000000, -0.0005549800000000 ] - [ -0.0009359300000000, 0.0002077800000000, 0.0000930900000000 ] - [ -0.0022328700000000, 0.0001800100000000, 0.0006264100000000 ] - [ -0.0021149000000000, 0.0002126500000000, -0.0002939300000000 ] - [ -0.0024945400000000, -0.0001585500000000, -0.0008275600000000 ] - [ -0.0017415100000000, -0.0002012300000000, -0.0000343900000000 ] - [ -0.0020817300000000, -0.0007549400000000, -0.0001745800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009605500000000, 0.0036920300000000, 0.0012775600000000 ] - [ -0.0000407600000000, 0.0000263400000000, 0.0000900900000000 ] - [ -0.0018870600000000, -0.0376457700000000, -0.0000403200000000 ] - [ 0.0001940500000000, -0.0000532000000000, -0.0000096800000000 ] - [ -0.0002676400000000, -0.0035422800000000, -0.0005626200000000 ] - [ 0.0000700600000000, 0.0000158000000000, 0.0000040100000000 ] - [ 0.0002089100000000, 0.0002658800000000, -0.0001873000000000 ] - [ -0.0001711700000000, 0.0001492200000000, -0.0000945400000000 ] - [ 0.0000794300000000, 0.0002363900000000, 0.0000718500000000 ] - [ -0.0000141300000000, 0.0000353900000000, 0.0003527400000000 ] - [ -0.0000175000000000, -0.0000246400000000, 0.0001429900000000 ] - [ 0.0004510900000000, -0.0026139300000000, 0.0005699800000000 ] - [ 0.0002008400000000, -0.0000439000000000, 0.0001439700000000 ] - [ -0.0012102500000000, 0.0037480600000000, -0.0010170500000000 ] - [ 0.0000814800000000, 0.0000023900000000, -0.0001815700000000 ] - [ -0.0001096600000000, 0.0001337800000000, 0.0001263900000000 ] - [ 0.0000100800000000, 0.0000008400000000, 0.0000319700000000 ] - [ -0.0001848900000000, -0.0035182400000000, 0.0006013000000000 ] - [ 0.0001163800000000, -0.0000073300000000, -0.0001813200000000 ] - [ 0.0001329300000000, -0.0000372800000000, 0.0000448400000000 ] - [ -0.0000108700000000, -0.0001362400000000, 0.0000168200000000 ] - [ 0.0000780900000000, 0.0004064900000000, 0.0002980700000000 ] - [ 0.0002145900000000, -0.0026823200000000, -0.0003269200000000 ] - [ 0.0002232500000000, 0.0000435000000000, 0.0000878100000000 ] - [ -0.0000847400000000, -0.0001858700000000, -0.0001930700000000 ] - [ -0.0000994400000000, -0.0006223600000000, -0.0005652000000000 ] - [ 0.0077277400000000, 0.0188405000000000, -0.0042130700000000 ] - [ 0.0001024500000000, -0.0000332700000000, -0.0000304900000000 ] - [ 0.0000506200000000, 0.0000362300000000, -0.0000193000000000 ] - [ 0.0001212100000000, 0.0000002600000000, -0.0002125800000000 ] - [ 0.0001334300000000, 0.0000179100000000, -0.0002110000000000 ] - [ 0.0003704200000000, 0.0004979100000000, -0.0000057800000000 ] - [ 0.0003729800000000, 0.0002961900000000, -0.0002930200000000 ] - [ 0.0001817700000000, 0.0000573700000000, -0.0000113600000000 ] - [ 0.0001275100000000, -0.0000522300000000, -0.0000248100000000 ] - [ -0.0001733400000000, -0.0007160200000000, 0.0005105200000000 ] - [ 0.0074411000000000, 0.0189054300000000, 0.0040806200000000 ] - [ -0.0065183700000000, 0.0123780800000000, -0.0002571100000000 ] - [ 0.0064517300000000, -0.0128259600000000, -0.0002994900000000 ] - [ -0.0000873800000000, 0.0000149000000000, -0.0001101100000000 ] - [ -0.0056974500000000, -0.0017276200000000, -0.0013776600000000 ] - [ 0.0000356800000000, -0.0001292500000000, 0.0000129600000000 ] - [ 0.0000681000000000, 0.0001345600000000, -0.0000066400000000 ] - [ 0.0000593200000000, 0.0000866100000000, 0.0002127200000000 ] - [ 0.0000231900000000, 0.0001599600000000, -0.0001060300000000 ] - [ 0.0007965200000000, -0.0008756200000000, 0.0016302100000000 ] - [ -0.0001671500000000, -0.0000775800000000, -0.0002099100000000 ] - [ 0.0000565300000000, -0.0004306400000000, -0.0002762100000000 ] - [ 0.0000863200000000, -0.0000310900000000, 0.0000870400000000 ] - [ 0.0000533300000000, -0.0000295200000000, -0.0000030200000000 ] - [ -0.0001912000000000, -0.0000242700000000, 0.0000607000000000 ] - [ -0.0000146300000000, 0.0001348400000000, 0.0002894400000000 ] - [ -0.0027772100000000, 0.0083086900000000, -0.0039645000000000 ] - [ -0.0000308000000000, 0.0000763100000000, -0.0000617500000000 ] - [ -0.0002206400000000, 0.0000255000000000, 0.0000757900000000 ] - [ -0.0000294200000000, 0.0000411400000000, 0.0001000800000000 ] - [ -0.0001525500000000, -0.0001047800000000, -0.0000389800000000 ] - [ 0.0000603600000000, -0.0001709300000000, -0.0001026300000000 ] - [ 0.0000267500000000, -0.0000342300000000, 0.0000573300000000 ] - [ -0.0000142800000000, 0.0000527800000000, 0.0000828500000000 ] - [ -0.0001766700000000, 0.0000734100000000, -0.0002176800000000 ] - [ -0.0003424700000000, -0.0000668200000000, 0.0001050800000000 ] - [ -0.0000028800000000, -0.0000834200000000, 0.0003756700000000 ] - [ -0.0021838200000000, -0.0007660000000000, 0.0016090500000000 ] - [ 0.0002129800000000, 0.0000533300000000, 0.0004618000000000 ] - [ -0.0012793800000000, 0.0016916200000000, 0.0002131400000000 ] - [ 0.0041314100000000, -0.0019977200000000, -0.0013961000000000 ] - [ 0.0011741500000000, -0.0017309500000000, -0.0006678100000000 ] - [ -0.0001562400000000, 0.0001613400000000, -0.0001022000000000 ] - [ 0.0004318500000000, -0.0002105000000000, -0.0004576600000000 ] - [ 0.0042944300000000, -0.0016287300000000, 0.0013549500000000 ] - [ -0.0000008900000000, 0.0000430200000000, 0.0001115400000000 ] - [ 0.0000613000000000, 0.0002260300000000, -0.0001598900000000 ] - [ 0.0000483500000000, 0.0000364700000000, 0.0000210900000000 ] - [ -0.0030805700000000, 0.0082066600000000, 0.0037315800000000 ] - [ -0.0001277500000000, -0.0000374600000000, -0.0000197100000000 ] - [ 0.0002672800000000, -0.0004233900000000, 0.0003396900000000 ] - [ 0.0001862700000000, 0.0000689500000000, 0.0001297900000000 ] - [ 0.0004772200000000, -0.0011295900000000, -0.0016953500000000 ] - [ -0.0003398600000000, 0.0001497900000000, 0.0002844600000000 ] - [ 0.0000338400000000, 0.0001150700000000, -0.0002190200000000 ] - [ -0.0001603500000000, -0.0000207600000000, 0.0000686300000000 ] - [ -0.0015337400000000, 0.0017370300000000, -0.0001169700000000 ] - [ 0.0001706700000000, 0.0001368800000000, 0.0001072300000000 ] - [ -0.0001925100000000, -0.0001721100000000, -0.0001003900000000 ] - [ -0.0055452300000000, -0.0022337600000000, 0.0011749300000000 ] - [ -0.0019861600000000, -0.0008394700000000, -0.0014174000000000 ] - [ -0.0002158100000000, -0.0000425500000000, 0.0000846300000000 ] - [ 0.0009782700000000, -0.0015396800000000, 0.0002432600000000 ] - [ -0.0000155300000000, -0.0000821800000000, 0.0001036200000000 ] - [ 0.0000590200000000, -0.0000408600000000, 0.0002781200000000 ] - [ -0.0001607700000000, 0.0000502200000000, 0.0001300200000000 ] - [ -0.0001891100000000, 0.0001387400000000, -0.0000201300000000 ] - [ 0.0000198300000000, -0.0000306100000000, 0.0000035700000000 ] - [ -0.0001579000000000, -0.0001386200000000, 0.0000016100000000 ] - [ 0.0000256500000000, -0.0001182500000000, -0.0002087600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0090248300000000, -0.0027386600000000, 0.0022389800000000 ] - [ -0.0003168700000000, 0.0000130900000000, 0.0001549700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1030933900000000 ] - [ 0.0000298800000000, -0.0000023300000000, -0.0004655800000000 ] - [ 0.0010290400000000, -0.0005451800000000, -0.0063206900000000 ] - [ 0.0000102100000000, 0.0000349000000000, 0.0004417500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0091775400000000 ] - [ 0.0003356300000000, 0.0002968500000000, 0.0031475800000000 ] - [ -0.0018693000000000, -0.0002493800000000, 0.0004455200000000 ] - [ 0.0015940600000000, 0.0000180500000000, 0.0003610700000000 ] - [ 0.0000877700000000, -0.0000661300000000, 0.0000921400000000 ] - [ -0.0080425400000000, 0.0001628200000000, 0.0080376700000000 ] - [ 0.0003168700000000, -0.0000130900000000, 0.0001549700000000 ] - [ -0.0090248300000000, 0.0027386600000000, 0.0022389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000434800000000 ] - [ -0.0003356300000000, -0.0002968500000000, 0.0031475800000000 ] - [ -0.0000102100000000, -0.0000349000000000, 0.0004417500000000 ] - [ -0.0010290400000000, 0.0005451800000000, -0.0063206900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003173900000000 ] - [ -0.0000298800000000, 0.0000023300000000, -0.0004655800000000 ] - [ -0.0015940600000000, -0.0000180500000000, 0.0003610700000000 ] - [ 0.0018693000000000, 0.0002493800000000, 0.0004455200000000 ] - [ 0.0080425400000000, -0.0001628200000000, 0.0080376700000000 ] - [ -0.0000877700000000, 0.0000661300000000, 0.0000921400000000 ] - [ -0.0011295200000000, -0.0004927200000000, 0.0016292300000000 ] - [ 0.0046300900000000, 0.0001717900000000, 0.0082619400000000 ] - [ -0.0131313700000000, 0.0012681500000000, -0.0164724100000000 ] - [ -0.0002506600000000, -0.0001126200000000, -0.0003001400000000 ] - [ 0.0001404200000000, -0.0000141600000000, 0.0002439900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002434000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001827300000000 ] - [ 0.0016387600000000, -0.0003144900000000, -0.0024940300000000 ] - [ -0.0016387600000000, 0.0003144900000000, -0.0024940300000000 ] - [ 0.0002506600000000, 0.0001126200000000, -0.0003001400000000 ] - [ -0.0001404200000000, 0.0000141600000000, 0.0002439900000000 ] - [ -0.0046300900000000, -0.0001717900000000, 0.0082619400000000 ] - [ 0.0131313700000000, -0.0012681500000000, -0.0164724100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0167860800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0495732100000000 ] - [ 0.0011295200000000, 0.0004927200000000, 0.0016292300000000 ] - [ -0.0017244700000000, -0.0018873200000000, 0.0142871000000000 ] - [ 0.0001546200000000, -0.0000856900000000, 0.0001179400000000 ] - [ 0.0000707100000000, 0.0001522900000000, -0.0001142600000000 ] - [ -0.0002319900000000, 0.0000267000000000, -0.0010270300000000 ] - [ 0.0001087800000000, 0.0001710300000000, 0.0001118700000000 ] - [ 0.0051277800000000, 0.0016282500000000, 0.0041665400000000 ] - [ -0.0000556900000000, -0.0001225300000000, -0.0002737300000000 ] - [ -0.0033237300000000, -0.0002390000000000, 0.0018458000000000 ] - [ 0.0006787100000000, 0.0001112900000000, -0.0004098100000000 ] - [ -0.0006523700000000, 0.0000644700000000, 0.0005062900000000 ] - [ -0.0001817700000000, -0.0000159400000000, 0.0000010500000000 ] - [ 0.0001701000000000, 0.0003012000000000, -0.0006702900000000 ] - [ -0.0014455700000000, -0.0006478600000000, 0.0136406000000000 ] - [ 0.0020375800000000, -0.0003967700000000, -0.0018576100000000 ] - [ -0.0000594700000000, 0.0000372000000000, 0.0000730100000000 ] - [ 0.0004766100000000, -0.0000177100000000, 0.0003256600000000 ] - [ -0.0000959100000000, -0.0007641400000000, -0.0059589500000000 ] - [ 0.0000995400000000, -0.0001561800000000, -0.0002995800000000 ] - [ -0.0002365300000000, -0.0000916000000000, -0.0001289900000000 ] - [ -0.0025069800000000, 0.0001537100000000, -0.0023820700000000 ] - [ -0.0001414000000000, 0.0000806500000000, -0.0001626600000000 ] - [ -0.0003211300000000, 0.0002199900000000, 0.0011895500000000 ] - [ 0.0004189100000000, -0.0000626000000000, 0.0019130400000000 ] - [ 0.0041812100000000, -0.0010960400000000, 0.0029368200000000 ] - [ -0.0018227200000000, 0.0006816700000000, -0.0044269200000000 ] - [ -0.0044356000000000, -0.0017771500000000, -0.0090732900000000 ] - [ 0.0069419500000000, -0.0022810800000000, 0.0083493900000000 ] - [ 0.0018718800000000, 0.0002239000000000, -0.0075096700000000 ] - [ -0.0000995400000000, 0.0001561800000000, -0.0002995800000000 ] - [ 0.0018227200000000, -0.0006816700000000, -0.0044269200000000 ] - [ -0.0069419500000000, 0.0022810800000000, 0.0083493900000000 ] - [ -0.0004189100000000, 0.0000626000000000, 0.0019130400000000 ] - [ 0.0000959100000000, 0.0007641400000000, -0.0059589500000000 ] - [ 0.0001817700000000, 0.0000159400000000, 0.0000010500000000 ] - [ 0.0014455700000000, 0.0006478600000000, 0.0136406000000000 ] - [ -0.0006787100000000, -0.0001112900000000, -0.0004098100000000 ] - [ 0.0033237300000000, 0.0002390000000000, 0.0018458000000000 ] - [ -0.0020375800000000, 0.0003967700000000, -0.0018576100000000 ] - [ -0.0051277800000000, -0.0016282500000000, 0.0041665400000000 ] - [ 0.0003211300000000, -0.0002199900000000, 0.0011895500000000 ] - [ 0.0000556900000000, 0.0001225300000000, -0.0002737300000000 ] - [ 0.0006523700000000, -0.0000644700000000, 0.0005062900000000 ] - [ 0.0044356000000000, 0.0017771500000000, -0.0090732900000000 ] - [ 0.0025069800000000, -0.0001537100000000, -0.0023820700000000 ] - [ -0.0001087800000000, -0.0001710300000000, 0.0001118700000000 ] - [ 0.0017244700000000, 0.0018873200000000, 0.0142871000000000 ] - [ -0.0041812100000000, 0.0010960400000000, 0.0029368200000000 ] - [ -0.0004766100000000, 0.0000177100000000, 0.0003256600000000 ] - [ -0.0018718800000000, -0.0002239000000000, -0.0075096700000000 ] - [ -0.0001701000000000, -0.0003012000000000, -0.0006702900000000 ] - [ 0.0002319900000000, -0.0000267000000000, -0.0010270300000000 ] - [ 0.0002365300000000, 0.0000916000000000, -0.0001289900000000 ] - [ -0.0001546200000000, 0.0000856900000000, 0.0001179400000000 ] - [ 0.0000594700000000, -0.0000372000000000, 0.0000730100000000 ] - [ -0.0000707100000000, -0.0001522900000000, -0.0001142600000000 ] - [ 0.0001414000000000, -0.0000806500000000, -0.0001626600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0087338000000000, 0.0026565200000000, -0.0020290000000000 ] - [ 0.0000755800000000, 0.0000549800000000, 0.0000766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1006519200000000 ] - [ 0.0000264800000000, -0.0000125300000000, 0.0004993600000000 ] - [ -0.0011327400000000, 0.0005365400000000, 0.0063300600000000 ] - [ 0.0000548700000000, -0.0000207400000000, -0.0004073700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095253200000000 ] - [ -0.0003829400000000, -0.0002797700000000, -0.0031077100000000 ] - [ 0.0018637300000000, 0.0000778600000000, -0.0000666600000000 ] - [ -0.0015878900000000, 0.0001519600000000, -0.0000003500000000 ] - [ -0.0003290200000000, 0.0000001900000000, 0.0001344000000000 ] - [ 0.0083598900000000, -0.0000975700000000, -0.0078241000000000 ] - [ -0.0000755800000000, -0.0000549800000000, 0.0000766700000000 ] - [ 0.0087338000000000, -0.0026565200000000, -0.0020290000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003099600000000 ] - [ 0.0003829400000000, 0.0002797700000000, -0.0031077100000000 ] - [ -0.0000548700000000, 0.0000207400000000, -0.0004073700000000 ] - [ 0.0011327400000000, -0.0005365400000000, 0.0063300600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000363600000000 ] - [ -0.0000264800000000, 0.0000125300000000, 0.0004993600000000 ] - [ 0.0015878900000000, -0.0001519600000000, -0.0000003500000000 ] - [ -0.0018637300000000, -0.0000778600000000, -0.0000666600000000 ] - [ -0.0083598900000000, 0.0000975700000000, -0.0078241000000000 ] - [ 0.0003290200000000, -0.0000001900000000, 0.0001344000000000 ] - [ 0.0011327200000000, 0.0002821700000000, -0.0019261600000000 ] - [ -0.0045116900000000, -0.0000843200000000, -0.0082873700000000 ] - [ 0.0132031200000000, -0.0013393700000000, 0.0165331800000000 ] - [ 0.0001603100000000, 0.0000168900000000, 0.0002595800000000 ] - [ -0.0002261900000000, 0.0001067600000000, -0.0002839000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002533100000000 ] - [ -0.0016407800000000, 0.0005204300000000, 0.0021817100000000 ] - [ 0.0016407800000000, -0.0005204300000000, 0.0021817100000000 ] - [ -0.0001603100000000, -0.0000168900000000, 0.0002595800000000 ] - [ 0.0002261900000000, -0.0001067600000000, -0.0002839000000000 ] - [ 0.0045116900000000, 0.0000843200000000, -0.0082873700000000 ] - [ -0.0132031200000000, 0.0013393700000000, 0.0165331800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0172224600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0491377300000000 ] - [ -0.0011327200000000, -0.0002821700000000, -0.0019261600000000 ] - [ 0.0015780900000000, 0.0022480500000000, -0.0144313400000000 ] - [ 0.0000638600000000, -0.0001581600000000, -0.0001179600000000 ] - [ 0.0001472300000000, 0.0000910900000000, 0.0001175500000000 ] - [ 0.0002263300000000, 0.0001012500000000, 0.0015438000000000 ] - [ 0.0000968400000000, 0.0001503700000000, -0.0003095200000000 ] - [ -0.0047903000000000, -0.0013538500000000, -0.0043955900000000 ] - [ -0.0001354400000000, -0.0000833200000000, -0.0001637300000000 ] - [ 0.0030967800000000, 0.0002436700000000, -0.0017775500000000 ] - [ -0.0004670000000000, -0.0001101200000000, 0.0004575100000000 ] - [ 0.0008678300000000, -0.0000619700000000, -0.0004513600000000 ] - [ -0.0000663000000000, -0.0000388400000000, 0.0000778500000000 ] - [ -0.0001728200000000, -0.0000837400000000, 0.0010514400000000 ] - [ 0.0019824900000000, 0.0005090600000000, -0.0131275800000000 ] - [ -0.0022604500000000, 0.0003990600000000, 0.0019003300000000 ] - [ -0.0001874200000000, 0.0000198600000000, 0.0000018900000000 ] - [ -0.0002748200000000, 0.0000972000000000, -0.0001342700000000 ] - [ -0.0001212000000000, 0.0004432800000000, 0.0057543100000000 ] - [ 0.0001049400000000, -0.0001635800000000, 0.0000996600000000 ] - [ 0.0004372200000000, 0.0000112700000000, 0.0003241600000000 ] - [ 0.0022886100000000, -0.0002347100000000, 0.0025768200000000 ] - [ -0.0000499300000000, 0.0001249700000000, -0.0002731400000000 ] - [ 0.0003266200000000, -0.0004396800000000, -0.0007979500000000 ] - [ -0.0004118700000000, -0.0000675700000000, -0.0013946000000000 ] - [ -0.0043759100000000, 0.0011562900000000, -0.0027690200000000 ] - [ 0.0015951400000000, -0.0004339300000000, 0.0044304700000000 ] - [ 0.0046607000000000, 0.0017204000000000, 0.0091147100000000 ] - [ -0.0070938600000000, 0.0019902700000000, -0.0084393500000000 ] - [ -0.0016914500000000, -0.0004030800000000, 0.0070671900000000 ] - [ -0.0001049400000000, 0.0001635800000000, 0.0000996600000000 ] - [ -0.0015951400000000, 0.0004339300000000, 0.0044304700000000 ] - [ 0.0070938600000000, -0.0019902700000000, -0.0084393500000000 ] - [ 0.0004118700000000, 0.0000675700000000, -0.0013946000000000 ] - [ 0.0001212000000000, -0.0004432800000000, 0.0057543100000000 ] - [ 0.0000663000000000, 0.0000388400000000, 0.0000778500000000 ] - [ -0.0019824900000000, -0.0005090600000000, -0.0131275800000000 ] - [ 0.0004670000000000, 0.0001101200000000, 0.0004575100000000 ] - [ -0.0030967800000000, -0.0002436700000000, -0.0017775500000000 ] - [ 0.0022604500000000, -0.0003990600000000, 0.0019003300000000 ] - [ 0.0047903000000000, 0.0013538500000000, -0.0043955900000000 ] - [ -0.0003266200000000, 0.0004396800000000, -0.0007979500000000 ] - [ 0.0001354400000000, 0.0000833200000000, -0.0001637300000000 ] - [ -0.0008678300000000, 0.0000619700000000, -0.0004513600000000 ] - [ -0.0046607000000000, -0.0017204000000000, 0.0091147100000000 ] - [ -0.0022886100000000, 0.0002347100000000, 0.0025768200000000 ] - [ -0.0000968400000000, -0.0001503700000000, -0.0003095200000000 ] - [ -0.0015780900000000, -0.0022480500000000, -0.0144313400000000 ] - [ 0.0043759100000000, -0.0011562900000000, -0.0027690200000000 ] - [ 0.0002748200000000, -0.0000972000000000, -0.0001342700000000 ] - [ 0.0016914500000000, 0.0004030800000000, 0.0070671900000000 ] - [ 0.0001728200000000, 0.0000837400000000, 0.0010514400000000 ] - [ -0.0002263300000000, -0.0001012500000000, 0.0015438000000000 ] - [ -0.0004372200000000, -0.0000112700000000, 0.0003241600000000 ] - [ -0.0000638600000000, 0.0001581600000000, -0.0001179600000000 ] - [ 0.0001874200000000, -0.0000198600000000, 0.0000018900000000 ] - [ -0.0001472300000000, -0.0000910900000000, 0.0001175500000000 ] - [ 0.0000499300000000, -0.0001249700000000, -0.0002731400000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039651300000000, 0.0000717700000000, -0.0019770600000000 ] - [ -0.0048883300000000, 0.0008235100000000, -0.0088593300000000 ] - [ 0.0035820600000000, 0.0001621800000000, -0.0001712800000000 ] - [ -0.0984339000000000, -0.0277796300000000, 0.0282510600000000 ] - [ 0.0163748500000000, -0.0003573000000000, 0.0008552800000000 ] - [ -0.0054205500000000, 0.0005971300000000, -0.0005466800000000 ] - [ 0.0022028100000000, -0.0000401500000000, -0.0001975200000000 ] - [ -0.0011378000000000, -0.0001517400000000, -0.0008144100000000 ] - [ -0.0064571900000000, 0.0016748500000000, 0.0097704400000000 ] - [ -0.0026135600000000, 0.0005851800000000, -0.0111302600000000 ] - [ -0.0103719900000000, 0.0010260800000000, 0.0099885400000000 ] - [ 0.0012640800000000, 0.0004553100000000, 0.0022569400000000 ] - [ 0.0024069900000000, 0.0000429300000000, -0.0008010400000000 ] - [ 0.0026044100000000, -0.0000200000000000, 0.0000103200000000 ] - [ -0.0007385700000000, -0.0001408300000000, -0.0005305900000000 ] - [ 0.0027118900000000, 0.0002432100000000, -0.0003250800000000 ] - [ 0.0023572200000000, -0.0002421300000000, 0.0003146300000000 ] - [ 0.0029980500000000, -0.0002782400000000, -0.0003712300000000 ] - [ 0.0136917700000000, 0.0002296800000000, -0.0012679000000000 ] - [ 0.0032267700000000, 0.0003455200000000, 0.0004361900000000 ] - [ 0.0027242200000000, -0.0001077300000000, 0.0003434800000000 ] - [ 0.0029144700000000, 0.0000614200000000, 0.0000294500000000 ] - [ 0.0024550300000000, 0.0000006400000000, 0.0002654400000000 ] - [ 0.0031018000000000, 0.0001061200000000, 0.0010649100000000 ] - [ -0.0051797100000000, -0.0002593000000000, -0.0006268700000000 ] - [ 0.0019571200000000, 0.0002479800000000, -0.0009545900000000 ] - [ 0.0044407200000000, 0.0003110700000000, 0.0016013200000000 ] - [ -0.0042307700000000, 0.0025941800000000, -0.0193294000000000 ] - [ -0.0067954300000000, 0.0004495800000000, 0.0005060800000000 ] - [ 0.0032621800000000, 0.0031712300000000, 0.0070990100000000 ] - [ 0.0035287200000000, 0.0008713900000000, -0.0051091300000000 ] - [ 0.0027701500000000, 0.0039366000000000, -0.0168349700000000 ] - [ 0.0033535200000000, -0.0001202200000000, -0.0000949800000000 ] - [ 0.0037524700000000, 0.0002033700000000, -0.0004760200000000 ] - [ 0.0026332000000000, 0.0000657900000000, 0.0006792900000000 ] - [ 0.0030339300000000, 0.0000248800000000, -0.0002947000000000 ] - [ 0.0032942700000000, -0.0000601600000000, -0.0001509100000000 ] - [ 0.0037313300000000, -0.0004645300000000, 0.0008248200000000 ] - [ 0.0036222800000000, -0.0001817200000000, -0.0012293900000000 ] - [ 0.0030465600000000, 0.0000987300000000, -0.0002023800000000 ] - [ -0.0033205400000000, 0.0008187600000000, -0.0004364400000000 ] - [ 0.0161871100000000, -0.0065796400000000, -0.0031476200000000 ] - [ 0.0035457200000000, -0.0000333000000000, -0.0010944700000000 ] - [ 0.0027156200000000, -0.0004596600000000, 0.0024119100000000 ] - [ 0.0203546100000000, 0.0121083700000000, -0.0007607700000000 ] - [ -0.0028843300000000, -0.0000812600000000, -0.0016224900000000 ] - [ 0.0000293300000000, -0.0004619900000000, 0.0027942900000000 ] - [ -0.0030582300000000, 0.0013432200000000, 0.0052558800000000 ] - [ 0.0064363800000000, 0.0002682100000000, 0.0004900000000000 ] - [ 0.0177262500000000, 0.0021879800000000, 0.0034333400000000 ] - [ 0.0025653200000000, -0.0008508900000000, -0.0031865900000000 ] - [ 0.0028928300000000, -0.0000688000000000, -0.0003632800000000 ] - [ -0.0023793000000000, 0.0008843500000000, 0.0003858500000000 ] - [ 0.0020159100000000, 0.0003830100000000, -0.0015969800000000 ] - [ -0.0018407600000000, 0.0007632200000000, 0.0056684600000000 ] - [ 0.0180995700000000, 0.0006640700000000, 0.0060056000000000 ] - [ -0.0007703900000000, 0.0001578700000000, 0.0002043600000000 ] - [ 0.0029513600000000, -0.0006742900000000, 0.0014943800000000 ] - [ 0.0069420400000000, 0.0000141000000000, 0.0011798500000000 ] - [ -0.0012977300000000, -0.0003283000000000, 0.0022878000000000 ] - [ -0.0049733800000000, 0.0012342400000000, -0.0076960000000000 ] - [ 0.0102698200000000, -0.0024114200000000, 0.0017389400000000 ] - [ 0.0128784100000000, 0.0039564800000000, -0.0008673700000000 ] - [ -0.0027989700000000, 0.0008241200000000, -0.0026742900000000 ] - [ -0.0009330100000000, 0.0000942800000000, 0.0008507500000000 ] - [ -0.0016404100000000, -0.0002436500000000, 0.0001077300000000 ] - [ -0.0030996800000000, -0.0004615300000000, -0.0013963000000000 ] - [ -0.0015077600000000, -0.0005172200000000, -0.0008154100000000 ] - [ -0.0012924500000000, 0.0003283100000000, -0.0001614400000000 ] - [ -0.0015623600000000, -0.0000424100000000, 0.0002062100000000 ] - [ -0.0017796100000000, 0.0000693300000000, 0.0001013600000000 ] - [ -0.0021301000000000, 0.0000353100000000, 0.0002627000000000 ] - [ -0.0015909600000000, 0.0001339800000000, -0.0001162500000000 ] - [ -0.0021294200000000, -0.0000940200000000, -0.0027189200000000 ] - [ -0.0023198400000000, 0.0005773100000000, 0.0000923800000000 ] - [ -0.0025134500000000, 0.0000536200000000, 0.0004625400000000 ] - [ -0.0025325000000000, 0.0000885300000000, -0.0002945800000000 ] - [ -0.0023641600000000, -0.0000361400000000, -0.0002356400000000 ] - [ -0.0026200700000000, 0.0000615300000000, 0.0005312200000000 ] - [ -0.0019714500000000, 0.0001171500000000, 0.0001343100000000 ] - [ -0.0011317900000000, 0.0004243100000000, 0.0012436000000000 ] - [ -0.0027970100000000, -0.0000607700000000, 0.0001607700000000 ] - [ -0.0024684900000000, -0.0000886500000000, 0.0010573500000000 ] - [ -0.0022123500000000, -0.0000454800000000, -0.0001633000000000 ] - [ -0.0027175800000000, 0.0000826200000000, 0.0000152300000000 ] - [ -0.0018661500000000, -0.0001792000000000, -0.0001279600000000 ] - [ -0.0023523300000000, 0.0000852300000000, -0.0002185300000000 ] - [ -0.0027513500000000, -0.0002876900000000, 0.0007443200000000 ] - [ -0.0020344100000000, -0.0004528400000000, -0.0005131700000000 ] - [ -0.0017434800000000, -0.0001058000000000, 0.0002514200000000 ] - [ -0.0018462300000000, -0.0000918500000000, 0.0002511200000000 ] - [ -0.0022016900000000, 0.0000084300000000, 0.0000522300000000 ] - [ -0.0023575800000000, 0.0000420500000000, 0.0003405700000000 ] - [ -0.0025004800000000, 0.0002401200000000, 0.0008874100000000 ] - [ -0.0012932900000000, -0.0002978200000000, -0.0005361000000000 ] - [ -0.0027653700000000, -0.0012920800000000, -0.0023614700000000 ]- atom: 4 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0037245400000000, -0.0001392000000000, 0.0022137300000000 ] - [ 0.0046082300000000, -0.0007577100000000, 0.0090961800000000 ] - [ -0.0035859500000000, -0.0001625600000000, -0.0001789700000000 ] - [ 0.0985682800000000, 0.0276564500000000, -0.0279959500000000 ] - [ -0.0166363300000000, 0.0003416300000000, -0.0008162600000000 ] - [ 0.0054846100000000, -0.0005850400000000, 0.0005809100000000 ] - [ -0.0022000800000000, 0.0000395900000000, -0.0001544900000000 ] - [ 0.0010877000000000, 0.0001670600000000, 0.0008458700000000 ] - [ 0.0065086600000000, -0.0018460000000000, -0.0094143600000000 ] - [ 0.0026575600000000, -0.0004166600000000, 0.0115216900000000 ] - [ 0.0100505500000000, -0.0010984900000000, -0.0097784100000000 ] - [ -0.0010202300000000, -0.0003909500000000, -0.0020383100000000 ] - [ -0.0021734600000000, -0.0001072100000000, 0.0010253500000000 ] - [ -0.0028463500000000, 0.0000849500000000, 0.0002155500000000 ] - [ 0.0007275200000000, 0.0001412800000000, 0.0001866500000000 ] - [ -0.0026531400000000, -0.0002575600000000, 0.0003588600000000 ] - [ -0.0024229100000000, 0.0002271600000000, -0.0002830200000000 ] - [ -0.0029380600000000, 0.0002932600000000, 0.0004054000000000 ] - [ -0.0135462000000000, -0.0002232900000000, 0.0008901800000000 ] - [ -0.0032882300000000, -0.0003309000000000, -0.0004042000000000 ] - [ -0.0027256700000000, -0.0000638700000000, 0.0000264100000000 ] - [ -0.0029154800000000, 0.0001102800000000, 0.0003415600000000 ] - [ -0.0026969800000000, -0.0000670200000000, -0.0000377500000000 ] - [ -0.0028590600000000, -0.0000423100000000, -0.0008358200000000 ] - [ 0.0052023700000000, 0.0000482000000000, 0.0003287100000000 ] - [ -0.0018613700000000, -0.0001548400000000, 0.0009125900000000 ] - [ -0.0043611200000000, -0.0004016900000000, -0.0016391400000000 ] - [ 0.0040332000000000, -0.0025815200000000, 0.0192203400000000 ] - [ 0.0066815200000000, -0.0003505800000000, -0.0005406800000000 ] - [ -0.0032497800000000, -0.0031466900000000, -0.0075051300000000 ] - [ -0.0035476300000000, -0.0008658900000000, 0.0046663900000000 ] - [ -0.0027156600000000, -0.0038727500000000, 0.0166559700000000 ] - [ -0.0033538300000000, -0.0000878100000000, -0.0002063400000000 ] - [ -0.0036699200000000, -0.0001093300000000, 0.0004285800000000 ] - [ -0.0025467400000000, -0.0001537700000000, -0.0007111200000000 ] - [ -0.0031207800000000, -0.0001207800000000, 0.0002548400000000 ] - [ -0.0033829200000000, 0.0001521800000000, 0.0001110400000000 ] - [ -0.0037322700000000, 0.0004655100000000, -0.0012644100000000 ] - [ -0.0036219000000000, 0.0001834200000000, 0.0007963500000000 ] - [ -0.0030478300000000, 0.0001109500000000, -0.0000964900000000 ] - [ 0.0031225600000000, -0.0005035100000000, 0.0002348000000000 ] - [ -0.0154817900000000, 0.0059306500000000, 0.0027207300000000 ] - [ -0.0033159200000000, 0.0002744500000000, 0.0010964100000000 ] - [ -0.0027261100000000, 0.0005862900000000, -0.0019025100000000 ] - [ -0.0194580400000000, -0.0110594000000000, 0.0006613800000000 ] - [ 0.0031384600000000, 0.0001349100000000, 0.0017025200000000 ] - [ -0.0002096000000000, 0.0002521800000000, -0.0032367300000000 ] - [ 0.0028224900000000, -0.0013112900000000, -0.0052251100000000 ] - [ -0.0062296600000000, -0.0002678000000000, -0.0004500800000000 ] - [ -0.0175300000000000, -0.0021999800000000, -0.0034086000000000 ] - [ -0.0027977100000000, 0.0007928400000000, 0.0032507800000000 ] - [ -0.0029023000000000, 0.0002916600000000, 0.0007498200000000 ] - [ 0.0025725500000000, -0.0006806300000000, -0.0008256600000000 ] - [ -0.0022444200000000, -0.0003821700000000, 0.0016551100000000 ] - [ 0.0016202700000000, -0.0007341300000000, -0.0055832300000000 ] - [ -0.0178680100000000, -0.0005909400000000, -0.0057747200000000 ] - [ 0.0005608500000000, -0.0004809500000000, -0.0004012400000000 ] - [ -0.0027393600000000, 0.0003554000000000, -0.0016936600000000 ] - [ -0.0067410300000000, -0.0000937000000000, -0.0009706500000000 ] - [ 0.0010905700000000, 0.0002479500000000, -0.0020962900000000 ] - [ 0.0047567600000000, -0.0010056900000000, 0.0071966400000000 ] - [ -0.0107673800000000, 0.0025353600000000, -0.0010953600000000 ] - [ -0.0135006900000000, -0.0046042300000000, 0.0012355000000000 ] - [ 0.0026067600000000, -0.0007577800000000, 0.0028767300000000 ] - [ 0.0007122100000000, 0.0001507300000000, -0.0008504400000000 ] - [ 0.0018844200000000, 0.0001895400000000, -0.0000345800000000 ] - [ 0.0028891000000000, 0.0002173700000000, 0.0014043800000000 ] - [ 0.0016985800000000, 0.0003105100000000, 0.0003807100000000 ] - [ 0.0010909300000000, -0.0000048400000000, -0.0000411600000000 ] - [ 0.0017802800000000, -0.0002054100000000, -0.0002037000000000 ] - [ 0.0019975200000000, 0.0001758900000000, -0.0000998700000000 ] - [ 0.0021318300000000, 0.0000921100000000, 0.0002482300000000 ] - [ 0.0017958700000000, 0.0001886400000000, -0.0000809600000000 ] - [ 0.0023716100000000, 0.0001450700000000, 0.0027838900000000 ] - [ 0.0021287100000000, -0.0007828000000000, -0.0005290500000000 ] - [ 0.0023044100000000, -0.0000555000000000, -0.0004119900000000 ] - [ 0.0027523000000000, -0.0000902300000000, 0.0003486900000000 ] - [ 0.0025822300000000, 0.0000354800000000, 0.0002865400000000 ] - [ 0.0023737800000000, -0.0001179200000000, -0.0004556200000000 ] - [ 0.0019731300000000, 0.0001080000000000, 0.0002517800000000 ] - [ 0.0013303200000000, -0.0002214200000000, -0.0016783200000000 ] - [ 0.0025792000000000, 0.0000585500000000, -0.0001067300000000 ] - [ 0.0022186600000000, 0.0001406600000000, -0.0009807800000000 ] - [ 0.0024127500000000, 0.0001267600000000, 0.0003571600000000 ] - [ 0.0025097400000000, -0.0004010200000000, -0.0002086500000000 ] - [ 0.0020729100000000, -0.0001411900000000, -0.0000658700000000 ] - [ 0.0025492100000000, -0.0001667400000000, 0.0004086700000000 ] - [ 0.0025542900000000, 0.0002064500000000, -0.0005486900000000 ] - [ 0.0018413300000000, 0.0006562300000000, 0.0000756500000000 ] - [ 0.0017467600000000, -0.0001141600000000, 0.0001334000000000 ] - [ 0.0018475400000000, -0.0000349100000000, 0.0002596400000000 ] - [ 0.0020039600000000, 0.0000722300000000, 0.0001401400000000 ] - [ 0.0021376500000000, 0.0001999200000000, -0.0003337400000000 ] - [ 0.0027551500000000, -0.0002888500000000, -0.0008022800000000 ] - [ 0.0010784800000000, 0.0000521600000000, 0.0005372300000000 ] - [ 0.0029501400000000, 0.0010817000000000, 0.0019174700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003308700000000, 0.0005091600000000, -0.0000353600000000 ] - [ 0.0006555600000000, -0.0040107600000000, 0.0001135600000000 ] - [ 0.0003666400000000, -0.0000445600000000, -0.0001720000000000 ] - [ -0.0278343300000000, -0.0912705900000000, 0.0093171800000000 ] - [ 0.0003405500000000, -0.0045559100000000, -0.0008834300000000 ] - [ -0.0005604000000000, 0.0006233800000000, -0.0009561500000000 ] - [ 0.0001920200000000, 0.0000076200000000, -0.0002049400000000 ] - [ -0.0001899300000000, 0.0001486000000000, -0.0002114700000000 ] - [ -0.0028302500000000, 0.0059860700000000, 0.0018964600000000 ] - [ 0.0007000900000000, -0.0038666500000000, 0.0001752400000000 ] - [ -0.0027731200000000, 0.0100874700000000, 0.0015665600000000 ] - [ 0.0001993300000000, -0.0000650000000000, 0.0004215400000000 ] - [ 0.0004126800000000, -0.0001426700000000, 0.0000316000000000 ] - [ 0.0001459100000000, 0.0000289900000000, 0.0001015700000000 ] - [ -0.0000740800000000, 0.0001421700000000, -0.0004631900000000 ] - [ 0.0002807900000000, 0.0000174700000000, -0.0000211800000000 ] - [ 0.0002027300000000, -0.0000098800000000, -0.0000007300000000 ] - [ 0.0003175400000000, -0.0000220200000000, -0.0000154900000000 ] - [ 0.0007026700000000, -0.0035389500000000, -0.0007172800000000 ] - [ 0.0003085200000000, 0.0000155500000000, 0.0000752100000000 ] - [ 0.0002446900000000, -0.0000933300000000, 0.0002072000000000 ] - [ 0.0002858500000000, 0.0000899300000000, 0.0001706400000000 ] - [ 0.0001150300000000, -0.0000342600000000, 0.0001333700000000 ] - [ 0.0003231500000000, 0.0001683700000000, 0.0002784900000000 ] - [ -0.0006131600000000, -0.0008061900000000, -0.0005875600000000 ] - [ 0.0000780800000000, -0.0000554100000000, -0.0001770100000000 ] - [ 0.0006136100000000, 0.0006727100000000, 0.0003861600000000 ] - [ 0.0121659300000000, 0.0377580400000000, -0.0103186400000000 ] - [ -0.0002924500000000, -0.0007898800000000, -0.0004248400000000 ] - [ -0.0001393100000000, -0.0015821800000000, 0.0001308300000000 ] - [ 0.0004988500000000, 0.0020743300000000, -0.0007049900000000 ] - [ 0.0142535600000000, 0.0313993200000000, -0.0083168700000000 ] - [ 0.0003196900000000, -0.0001079400000000, -0.0001315300000000 ] - [ 0.0004080300000000, 0.0002638100000000, -0.0001720600000000 ] - [ 0.0000895900000000, -0.0001545900000000, -0.0000967600000000 ] - [ 0.0002525700000000, -0.0000424000000000, -0.0000603600000000 ] - [ 0.0002746400000000, 0.0000403100000000, -0.0000219700000000 ] - [ 0.0003244500000000, 0.0000106100000000, -0.0001044300000000 ] - [ 0.0003624700000000, -0.0000533700000000, -0.0003491200000000 ] - [ 0.0003030300000000, 0.0000982000000000, -0.0001774500000000 ] - [ -0.0002432900000000, 0.0002411900000000, -0.0000662000000000 ] - [ -0.0053279700000000, 0.0039150000000000, 0.0049266700000000 ] - [ 0.0005886600000000, 0.0001404200000000, 0.0003227400000000 ] - [ 0.0001350100000000, 0.0002339500000000, 0.0007206300000000 ] - [ 0.0089525200000000, 0.0081402600000000, 0.0000725500000000 ] - [ -0.0000168600000000, -0.0000102600000000, -0.0001040900000000 ] - [ -0.0001668700000000, -0.0003856300000000, -0.0004247200000000 ] - [ -0.0035884200000000, -0.0012239900000000, 0.0019673700000000 ] - [ 0.0007878400000000, 0.0000847800000000, -0.0003158200000000 ] - [ 0.0027769600000000, 0.0053384700000000, -0.0039606300000000 ] - [ 0.0000136400000000, 0.0001231800000000, -0.0000400000000000 ] - [ 0.0006807500000000, 0.0001502300000000, 0.0005422800000000 ] - [ -0.0002002800000000, 0.0002161600000000, -0.0001374300000000 ] - [ 0.0002022300000000, -0.0000240500000000, -0.0001527500000000 ] - [ -0.0033365800000000, -0.0016447900000000, 0.0028435400000000 ] - [ 0.0013342100000000, 0.0003071100000000, 0.0026767200000000 ] - [ -0.0000794100000000, -0.0001166600000000, -0.0000837800000000 ] - [ 0.0001245400000000, -0.0000488200000000, 0.0002070900000000 ] - [ 0.0006090600000000, 0.0001896500000000, -0.0006677200000000 ] - [ -0.0001655500000000, 0.0000499400000000, 0.0000624100000000 ] - [ 0.0021405700000000, 0.0012594400000000, 0.0006100200000000 ] - [ -0.0016726400000000, 0.0013089100000000, 0.0012785100000000 ] - [ 0.0016333300000000, 0.0032087600000000, -0.0001698800000000 ] - [ 0.0002658100000000, -0.0004632400000000, -0.0002673600000000 ] - [ -0.0001916100000000, 0.0001567600000000, 0.0001674600000000 ] - [ -0.0000212100000000, -0.0000738600000000, 0.0001032100000000 ] - [ -0.0007072000000000, -0.0000900300000000, -0.0001479900000000 ] - [ -0.0000331600000000, -0.0001463900000000, -0.0002886500000000 ] - [ -0.0001852700000000, 0.0001649000000000, 0.0000294600000000 ] - [ -0.0000479900000000, -0.0001157100000000, 0.0000270200000000 ] - [ -0.0000671300000000, 0.0001167600000000, 0.0000035600000000 ] - [ -0.0002123800000000, 0.0000579300000000, 0.0002462300000000 ] - [ -0.0000537200000000, 0.0001577700000000, -0.0000918900000000 ] - [ 0.0004362100000000, 0.0001666900000000, 0.0002374900000000 ] - [ -0.0003167100000000, -0.0000248700000000, -0.0001835700000000 ] - [ -0.0003647400000000, 0.0000084600000000, 0.0000852300000000 ] - [ -0.0001457600000000, 0.0000111400000000, -0.0000114300000000 ] - [ -0.0001289300000000, -0.0000024200000000, 0.0000064400000000 ] - [ -0.0003650000000000, -0.0000376800000000, 0.0000668600000000 ] - [ -0.0001912300000000, 0.0001141800000000, 0.0001800900000000 ] - [ -0.0003610300000000, 0.0000556800000000, 0.0002410700000000 ] - [ -0.0003566100000000, -0.0000157700000000, 0.0000193500000000 ] - [ -0.0003610100000000, 0.0000186100000000, 0.0001546300000000 ] - [ -0.0001186900000000, 0.0000330700000000, 0.0000763100000000 ] - [ -0.0003415800000000, -0.0001528800000000, -0.0001578700000000 ] - [ -0.0000897000000000, -0.0001645000000000, -0.0001076900000000 ] - [ -0.0001385700000000, -0.0000274900000000, 0.0000616700000000 ] - [ -0.0003026900000000, -0.0000602400000000, 0.0001593900000000 ] - [ -0.0002606200000000, 0.0000481700000000, -0.0002402300000000 ] - [ -0.0001646000000000, -0.0001088600000000, 0.0002072600000000 ] - [ -0.0001722000000000, -0.0000656000000000, 0.0002656900000000 ] - [ -0.0002178000000000, 0.0000391000000000, 0.0001041900000000 ] - [ -0.0004434600000000, 0.0000966400000000, 0.0000100000000000 ] - [ 0.0002232200000000, -0.0004502700000000, -0.0000281500000000 ] - [ -0.0001923400000000, -0.0001040700000000, -0.0000078600000000 ] - [ -0.0003158900000000, 0.0005092000000000, -0.0007082500000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000851800000000, -0.0005755200000000, 0.0002630700000000 ] - [ -0.0009084000000000, 0.0040595500000000, 0.0001473100000000 ] - [ -0.0003671300000000, 0.0000455500000000, -0.0001833900000000 ] - [ 0.0276062500000000, 0.0911664200000000, -0.0093416100000000 ] - [ -0.0003575400000000, 0.0045468200000000, 0.0009173900000000 ] - [ 0.0006206000000000, -0.0006068300000000, 0.0009889800000000 ] - [ -0.0001916400000000, -0.0000089200000000, -0.0001499500000000 ] - [ 0.0001297300000000, -0.0001352000000000, 0.0002422800000000 ] - [ 0.0027939200000000, -0.0061518800000000, -0.0015694200000000 ] - [ -0.0006843000000000, 0.0040445500000000, 0.0001577000000000 ] - [ 0.0025869200000000, -0.0101447700000000, -0.0012332300000000 ] - [ 0.0000429100000000, 0.0001343900000000, -0.0001916600000000 ] - [ -0.0001728100000000, 0.0000759000000000, 0.0001957200000000 ] - [ -0.0003877900000000, 0.0000364700000000, 0.0001254800000000 ] - [ 0.0000742800000000, -0.0001413000000000, 0.0001119200000000 ] - [ -0.0002202100000000, -0.0000337300000000, 0.0000560400000000 ] - [ -0.0002656200000000, -0.0000060700000000, 0.0000357100000000 ] - [ -0.0002550200000000, 0.0000377900000000, 0.0000491600000000 ] - [ -0.0007222300000000, 0.0035201500000000, 0.0003628900000000 ] - [ -0.0003683400000000, -0.0000012300000000, -0.0000435200000000 ] - [ -0.0002441900000000, -0.0000776100000000, 0.0001623000000000 ] - [ -0.0002865000000000, 0.0000808600000000, 0.0001986200000000 ] - [ -0.0003588400000000, -0.0000326500000000, 0.0000969600000000 ] - [ -0.0000827800000000, -0.0001027700000000, -0.0000501400000000 ] - [ 0.0006204500000000, 0.0005938700000000, 0.0002861300000000 ] - [ 0.0000094700000000, 0.0001491200000000, 0.0001381000000000 ] - [ -0.0005259700000000, -0.0007635700000000, -0.0004255100000000 ] - [ -0.0118300700000000, -0.0376713600000000, 0.0099421900000000 ] - [ 0.0002001000000000, 0.0008863500000000, 0.0003820100000000 ] - [ 0.0001330900000000, 0.0015676900000000, -0.0005752600000000 ] - [ -0.0005049600000000, -0.0020610500000000, 0.0002674600000000 ] - [ -0.0146241000000000, -0.0312893400000000, 0.0082177900000000 ] - [ -0.0003167800000000, -0.0001025300000000, -0.0001713600000000 ] - [ -0.0003203800000000, -0.0001715600000000, 0.0001304600000000 ] - [ -0.0000064100000000, 0.0000657200000000, 0.0000621300000000 ] - [ -0.0003398800000000, -0.0000518200000000, 0.0000190000000000 ] - [ -0.0003614300000000, 0.0000528800000000, -0.0000154400000000 ] - [ -0.0003243800000000, -0.0000113500000000, -0.0003313100000000 ] - [ -0.0003629800000000, 0.0000531100000000, -0.0000878000000000 ] - [ -0.0002994000000000, 0.0001129900000000, -0.0001253000000000 ] - [ 0.0000364700000000, 0.0000808900000000, -0.0001352000000000 ] - [ 0.0058482400000000, -0.0043800100000000, -0.0051585900000000 ] - [ -0.0003721500000000, 0.0001017300000000, -0.0003253900000000 ] - [ -0.0001348000000000, -0.0001063600000000, -0.0002045700000000 ] - [ -0.0082102000000000, -0.0072722800000000, -0.0002114400000000 ] - [ 0.0002670700000000, 0.0000677700000000, 0.0001812200000000 ] - [ -0.0000255400000000, 0.0001815800000000, -0.0000171100000000 ] - [ 0.0033807300000000, 0.0012447000000000, -0.0019195500000000 ] - [ -0.0005711000000000, -0.0000866100000000, 0.0003631900000000 ] - [ -0.0027144300000000, -0.0057624000000000, 0.0044255500000000 ] - [ -0.0002601400000000, -0.0001758200000000, 0.0001151300000000 ] - [ -0.0006795000000000, 0.0000719000000000, -0.0001525300000000 ] - [ 0.0003933600000000, -0.0000133900000000, -0.0002981700000000 ] - [ -0.0004184100000000, 0.0000220900000000, 0.0002080400000000 ] - [ 0.0030713200000000, 0.0016740900000000, -0.0027474800000000 ] - [ -0.0010694900000000, 0.0000686100000000, -0.0026801900000000 ] - [ -0.0001277400000000, -0.0002053400000000, -0.0001126700000000 ] - [ 0.0000829800000000, -0.0002766100000000, -0.0004055300000000 ] - [ -0.0004066800000000, -0.0002646600000000, 0.0008637600000000 ] - [ -0.0000283600000000, -0.0001312300000000, 0.0001312100000000 ] - [ -0.0023157900000000, -0.0010669600000000, -0.0010347200000000 ] - [ 0.0014343400000000, -0.0013420300000000, -0.0007601400000000 ] - [ -0.0019686200000000, -0.0036869200000000, 0.0006295300000000 ] - [ -0.0004644400000000, 0.0005444600000000, 0.0004560100000000 ] - [ -0.0000268200000000, 0.0000873800000000, -0.0001652100000000 ] - [ 0.0002683400000000, 0.0000163000000000, -0.0000248700000000 ] - [ 0.0004903900000000, -0.0001565200000000, 0.0001486000000000 ] - [ 0.0002239800000000, -0.0000592300000000, -0.0001451700000000 ] - [ -0.0000203900000000, 0.0001589900000000, -0.0002300900000000 ] - [ 0.0002656500000000, -0.0001307000000000, -0.0000254800000000 ] - [ 0.0002855300000000, 0.0001258700000000, -0.0000018400000000 ] - [ 0.0002113300000000, 0.0000706700000000, 0.0002697200000000 ] - [ 0.0002590200000000, 0.0001636600000000, -0.0001063200000000 ] - [ -0.0001864700000000, -0.0001074300000000, -0.0001570300000000 ] - [ 0.0001245100000000, -0.0001805600000000, -0.0002507400000000 ] - [ 0.0001481200000000, -0.0000063300000000, -0.0000325800000000 ] - [ 0.0003607700000000, -0.0000103900000000, 0.0000599400000000 ] - [ 0.0003483000000000, 0.0000040600000000, 0.0000459800000000 ] - [ 0.0001194700000000, -0.0000209100000000, 0.0000093600000000 ] - [ 0.0001911900000000, 0.0001051600000000, 0.0002054300000000 ] - [ 0.0005525000000000, 0.0001477700000000, -0.0006748700000000 ] - [ 0.0001411400000000, 0.0000172300000000, 0.0000322700000000 ] - [ 0.0001100700000000, 0.0000371400000000, -0.0000762100000000 ] - [ 0.0003175800000000, 0.0000473000000000, 0.0001148400000000 ] - [ 0.0001352300000000, -0.0001692800000000, -0.0000421400000000 ] - [ 0.0002949500000000, -0.0001571700000000, -0.0000882400000000 ] - [ 0.0003355000000000, -0.0000522700000000, 0.0001297000000000 ] - [ 0.0001029400000000, -0.0000222200000000, 0.0000353900000000 ] - [ 0.0000697500000000, 0.0001577900000000, -0.0001955400000000 ] - [ 0.0001647800000000, -0.0001126200000000, 0.0001781300000000 ] - [ 0.0001717600000000, -0.0000626300000000, 0.0002441400000000 ] - [ 0.0000194000000000, 0.0000426200000000, 0.0000866500000000 ] - [ 0.0002248000000000, 0.0001484200000000, -0.0000072700000000 ] - [ 0.0000283400000000, 0.0003956500000000, 0.0001078500000000 ] - [ -0.0000254900000000, -0.0001425500000000, 0.0000105400000000 ] - [ 0.0005042600000000, -0.0007115400000000, 0.0002728400000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0021866500000000, -0.0001828600000000, 0.0005971500000000 ] - [ -0.0068879600000000, 0.0003985000000000, 0.0145873000000000 ] - [ -0.0004100400000000, -0.0000278500000000, -0.0006554800000000 ] - [ 0.0281403700000000, 0.0095309000000000, -0.0692183400000000 ] - [ -0.0008368200000000, -0.0009071300000000, -0.0055884400000000 ] - [ -0.0005317500000000, 0.0009797500000000, 0.0062890700000000 ] - [ -0.0003264500000000, 0.0000142300000000, 0.0002498900000000 ] - [ 0.0007910100000000, 0.0002333100000000, 0.0022842500000000 ] - [ 0.0096830300000000, -0.0011762300000000, 0.0036863700000000 ] - [ -0.0086629900000000, 0.0002694400000000, 0.0125001700000000 ] - [ 0.0099116400000000, -0.0014152800000000, 0.0045753800000000 ] - [ 0.0013362000000000, -0.0000416400000000, 0.0001703600000000 ] - [ -0.0012182300000000, 0.0000065800000000, 0.0006274000000000 ] - [ -0.0005680500000000, 0.0000477300000000, 0.0001000300000000 ] - [ 0.0005009300000000, 0.0001101700000000, 0.0029547600000000 ] - [ -0.0003100100000000, -0.0000462200000000, 0.0001692000000000 ] - [ -0.0003303500000000, -0.0000249700000000, 0.0004804100000000 ] - [ -0.0003572000000000, 0.0000400600000000, -0.0000458600000000 ] - [ -0.0027440000000000, -0.0005768400000000, -0.0064952400000000 ] - [ -0.0004520500000000, -0.0000518500000000, -0.0005989900000000 ] - [ -0.0001596100000000, -0.0000579400000000, 0.0001519600000000 ] - [ -0.0005739000000000, 0.0001152900000000, 0.0002294100000000 ] - [ -0.0003607900000000, -0.0000238700000000, 0.0001284500000000 ] - [ 0.0009691100000000, 0.0000136300000000, -0.0001725100000000 ] - [ 0.0040743500000000, -0.0003058300000000, 0.0060701900000000 ] - [ -0.0012720300000000, -0.0003441700000000, 0.0015759600000000 ] - [ 0.0012018400000000, -0.0004359200000000, -0.0022369200000000 ] - [ -0.0183524800000000, -0.0018013700000000, -0.0119755100000000 ] - [ 0.0044591300000000, -0.0003444500000000, 0.0070434800000000 ] - [ 0.0044474700000000, 0.0020709300000000, 0.0014104500000000 ] - [ -0.0048130300000000, -0.0004760900000000, 0.0030986100000000 ] - [ -0.0160835300000000, -0.0016501800000000, -0.0158354200000000 ] - [ -0.0002814500000000, -0.0000418900000000, -0.0004476500000000 ] - [ -0.0019195900000000, 0.0000708900000000, -0.0017372600000000 ] - [ 0.0009392400000000, 0.0001105600000000, 0.0013690300000000 ] - [ -0.0005425500000000, -0.0000364800000000, 0.0002119200000000 ] - [ -0.0003646400000000, 0.0000698400000000, -0.0002053400000000 ] - [ -0.0000335300000000, 0.0000188100000000, -0.0002396800000000 ] - [ -0.0009167100000000, 0.0000569900000000, -0.0000786300000000 ] - [ -0.0005277900000000, 0.0001675800000000, 0.0001326200000000 ] - [ 0.0004463700000000, 0.0001651600000000, 0.0014075500000000 ] - [ -0.0028283800000000, 0.0047064700000000, 0.0128933800000000 ] - [ -0.0011982400000000, 0.0004015300000000, -0.0033277000000000 ] - [ -0.0004540000000000, 0.0000197200000000, -0.0052000800000000 ] - [ 0.0033204700000000, 0.0015104500000000, 0.0158879300000000 ] - [ -0.0001698200000000, 0.0001316800000000, 0.0004125800000000 ] - [ 0.0021624300000000, -0.0012025500000000, -0.0033357100000000 ] - [ 0.0052324000000000, -0.0008632600000000, 0.0024694600000000 ] - [ -0.0027768800000000, -0.0004898300000000, -0.0068833100000000 ] - [ -0.0013564600000000, -0.0074329500000000, 0.0166258200000000 ] - [ -0.0020567500000000, 0.0001351000000000, -0.0015605600000000 ] - [ -0.0013406300000000, 0.0003694300000000, -0.0029369800000000 ] - [ 0.0009202600000000, -0.0002277200000000, -0.0001080000000000 ] - [ -0.0022725300000000, 0.0002564200000000, -0.0019189300000000 ] - [ 0.0054102000000000, -0.0007710200000000, -0.0001885500000000 ] - [ 0.0004381400000000, -0.0007072500000000, 0.0083267800000000 ] - [ -0.0000694800000000, -0.0002358000000000, -0.0012350000000000 ] - [ -0.0007293700000000, -0.0002594500000000, -0.0059194000000000 ] - [ -0.0022979200000000, -0.0004704700000000, -0.0075543700000000 ] - [ 0.0018772900000000, -0.0002663100000000, -0.0018761400000000 ] - [ -0.0069031900000000, -0.0006494100000000, 0.0006022700000000 ] - [ 0.0015982800000000, 0.0011914600000000, 0.0107694300000000 ] - [ 0.0028210000000000, 0.0009073400000000, 0.0167487900000000 ] - [ -0.0025825300000000, -0.0000425400000000, 0.0018848800000000 ] - [ 0.0001896300000000, 0.0002752800000000, -0.0008110600000000 ] - [ 0.0008249500000000, 0.0001324900000000, -0.0001715100000000 ] - [ -0.0001521600000000, 0.0002428500000000, 0.0009990500000000 ] - [ -0.0000895000000000, -0.0002269700000000, -0.0003511300000000 ] - [ 0.0000821100000000, 0.0002798700000000, -0.0012151300000000 ] - [ 0.0003733200000000, -0.0001530400000000, -0.0001069800000000 ] - [ 0.0002970800000000, 0.0001146100000000, 0.0000729200000000 ] - [ 0.0003166800000000, 0.0000693400000000, 0.0004585800000000 ] - [ 0.0003082300000000, 0.0001790500000000, -0.0002388100000000 ] - [ -0.0015997600000000, 0.0000752100000000, -0.0013847200000000 ] - [ 0.0003563000000000, -0.0002583000000000, -0.0001438200000000 ] - [ 0.0005098500000000, 0.0000313800000000, -0.0002737600000000 ] - [ 0.0004005900000000, -0.0000205400000000, 0.0001502700000000 ] - [ 0.0004702700000000, -0.0000050300000000, -0.0000244100000000 ] - [ 0.0000005400000000, 0.0000058900000000, 0.0000879700000000 ] - [ 0.0002343300000000, 0.0000736800000000, 0.0003359600000000 ] - [ 0.0015103600000000, -0.0003147100000000, -0.0016832300000000 ] - [ -0.0000931300000000, 0.0000512000000000, 0.0002537600000000 ] - [ 0.0003655900000000, 0.0000822100000000, -0.0002261300000000 ] - [ 0.0004014600000000, 0.0000593600000000, 0.0000695700000000 ] - [ 0.0000767400000000, -0.0000317100000000, 0.0011908300000000 ] - [ 0.0003740000000000, -0.0001428400000000, 0.0000520400000000 ] - [ 0.0004121700000000, -0.0000467200000000, 0.0001982500000000 ] - [ 0.0008069200000000, 0.0000437400000000, 0.0003565100000000 ] - [ 0.0000021300000000, 0.0001205600000000, -0.0003137800000000 ] - [ 0.0002423700000000, -0.0001438000000000, 0.0000544700000000 ] - [ 0.0002029900000000, -0.0000568100000000, 0.0000662000000000 ] - [ -0.0003288100000000, 0.0000517800000000, -0.0002075500000000 ] - [ 0.0008360400000000, 0.0000078500000000, 0.0006269700000000 ] - [ 0.0027546800000000, 0.0002424600000000, 0.0005734000000000 ] - [ -0.0003925100000000, -0.0002672700000000, -0.0005540600000000 ] - [ -0.0013143300000000, -0.0010034200000000, 0.0010126600000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0024363000000000, 0.0001152600000000, -0.0003782200000000 ] - [ 0.0067455300000000, -0.0003290400000000, -0.0144700700000000 ] - [ 0.0004134600000000, 0.0000273900000000, 0.0003007400000000 ] - [ -0.0281110300000000, -0.0091391200000000, 0.0691481400000000 ] - [ 0.0008368200000000, 0.0008921900000000, 0.0056314600000000 ] - [ 0.0005937400000000, -0.0009629200000000, -0.0062539400000000 ] - [ 0.0003240400000000, -0.0000133800000000, -0.0006078000000000 ] - [ -0.0008656400000000, -0.0002221000000000, -0.0022559700000000 ] - [ -0.0097231800000000, 0.0010013500000000, -0.0032937000000000 ] - [ 0.0085545800000000, -0.0001007300000000, -0.0120614300000000 ] - [ -0.0101089100000000, 0.0013462300000000, -0.0043867300000000 ] - [ -0.0010995900000000, 0.0001101000000000, 0.0000691300000000 ] - [ 0.0014616400000000, -0.0000755500000000, -0.0003909600000000 ] - [ 0.0003246100000000, 0.0000178700000000, 0.0001274000000000 ] - [ -0.0004881400000000, -0.0001093500000000, -0.0033085800000000 ] - [ 0.0003714200000000, 0.0000315600000000, -0.0001351100000000 ] - [ 0.0002698700000000, 0.0000100000000000, -0.0004459800000000 ] - [ 0.0004173700000000, -0.0000231000000000, 0.0000801300000000 ] - [ 0.0026901900000000, 0.0005856200000000, 0.0061457600000000 ] - [ 0.0003900900000000, 0.0000665800000000, 0.0006334000000000 ] - [ 0.0001615200000000, -0.0001127200000000, 0.0002157100000000 ] - [ 0.0005736200000000, 0.0000571100000000, 0.0001425700000000 ] - [ 0.0001178500000000, -0.0000423500000000, 0.0001031600000000 ] - [ -0.0007276400000000, 0.0000506000000000, 0.0003962900000000 ] - [ -0.0041118600000000, 0.0001093000000000, -0.0063834100000000 ] - [ 0.0013503000000000, 0.0004378000000000, -0.0016190500000000 ] - [ -0.0011168400000000, 0.0003473400000000, 0.0022106400000000 ] - [ 0.0183054400000000, 0.0017433300000000, 0.0121145300000000 ] - [ -0.0045010800000000, 0.0004236700000000, -0.0070736900000000 ] - [ -0.0044318600000000, -0.0020714200000000, -0.0018678700000000 ] - [ 0.0048142000000000, 0.0004728600000000, -0.0035019500000000 ] - [ 0.0160898200000000, 0.0018136800000000, 0.0154212400000000 ] - [ 0.0002844900000000, -0.0001669500000000, 0.0001474800000000 ] - [ 0.0020016600000000, 0.0000203900000000, 0.0016973900000000 ] - [ -0.0008522600000000, -0.0002044700000000, -0.0014071700000000 ] - [ 0.0004573300000000, -0.0000543500000000, -0.0002530800000000 ] - [ 0.0002811300000000, 0.0000234900000000, 0.0001663600000000 ] - [ 0.0000321500000000, -0.0000209000000000, -0.0001846700000000 ] - [ 0.0009184200000000, -0.0000587000000000, -0.0003601800000000 ] - [ 0.0005313200000000, 0.0000387500000000, -0.0004346100000000 ] - [ -0.0006659800000000, 0.0001649600000000, -0.0016131800000000 ] - [ 0.0033438300000000, -0.0051756000000000, -0.0130763800000000 ] - [ 0.0014092500000000, -0.0001414000000000, 0.0033283900000000 ] - [ 0.0004688900000000, 0.0001114600000000, 0.0057088300000000 ] - [ -0.0031588700000000, -0.0012303700000000, -0.0161237900000000 ] - [ 0.0004111300000000, -0.0000757100000000, -0.0003377900000000 ] - [ -0.0023736800000000, 0.0010156400000000, 0.0028896500000000 ] - [ -0.0054500400000000, 0.0008852600000000, -0.0023835700000000 ] - [ 0.0030078300000000, 0.0005041200000000, 0.0069842700000000 ] - [ 0.0013483500000000, 0.0068018600000000, -0.0158717000000000 ] - [ 0.0017936600000000, -0.0001922700000000, 0.0016529700000000 ] - [ 0.0013521800000000, -0.0001559300000000, 0.0033277800000000 ] - [ -0.0007245500000000, 0.0004262000000000, -0.0003249600000000 ] - [ 0.0020739700000000, -0.0002518300000000, 0.0019766600000000 ] - [ -0.0056517000000000, 0.0008112200000000, 0.0002296600000000 ] - [ -0.0001683200000000, 0.0011967200000000, -0.0086778000000000 ] - [ -0.0001378500000000, -0.0000887600000000, 0.0010367200000000 ] - [ 0.0009261800000000, -0.0000673200000000, 0.0057162500000000 ] - [ 0.0024818100000000, 0.0003742000000000, 0.0076982200000000 ] - [ -0.0020615200000000, 0.0001820400000000, 0.0020730400000000 ] - [ 0.0066847800000000, 0.0008513600000000, -0.0009999300000000 ] - [ -0.0017260600000000, -0.0013291600000000, -0.0103008700000000 ] - [ -0.0028042700000000, -0.0010420500000000, -0.0162061900000000 ] - [ 0.0023915400000000, 0.0001226600000000, -0.0017122200000000 ] - [ -0.0004099000000000, -0.0000210400000000, 0.0008150000000000 ] - [ -0.0005785200000000, -0.0001894300000000, 0.0002535300000000 ] - [ -0.0000759500000000, -0.0005007100000000, -0.0010077700000000 ] - [ 0.0002906000000000, 0.0000312200000000, -0.0000862200000000 ] - [ -0.0002946700000000, 0.0000446500000000, 0.0010127400000000 ] - [ -0.0001501500000000, -0.0001025600000000, 0.0001071200000000 ] - [ -0.0000755300000000, 0.0001413500000000, -0.0000759700000000 ] - [ -0.0003143600000000, 0.0000576300000000, 0.0000422300000000 ] - [ -0.0000959100000000, 0.0001460300000000, 0.0000395300000000 ] - [ 0.0018400100000000, -0.0000172400000000, 0.0014706200000000 ] - [ -0.0005548600000000, 0.0000611500000000, -0.0002909400000000 ] - [ -0.0007261600000000, -0.0000344300000000, 0.0003314600000000 ] - [ -0.0001834800000000, 0.0000231600000000, -0.0000917600000000 ] - [ -0.0002533100000000, 0.0000017300000000, 0.0000826700000000 ] - [ -0.0002430900000000, -0.0000654900000000, -0.0000113300000000 ] - [ -0.0002340400000000, 0.0001476700000000, 0.0000529000000000 ] - [ -0.0013162200000000, 0.0005152900000000, 0.0012395500000000 ] - [ -0.0001234000000000, -0.0000494400000000, -0.0001937700000000 ] - [ -0.0006104200000000, -0.0000249900000000, 0.0003087000000000 ] - [ -0.0002077500000000, 0.0000229300000000, 0.0001209600000000 ] - [ -0.0002843300000000, -0.0002956300000000, -0.0013904500000000 ] - [ -0.0001624900000000, -0.0001847400000000, -0.0002534800000000 ] - [ -0.0002184700000000, -0.0000354500000000, -0.0000103200000000 ] - [ -0.0009984100000000, -0.0001232100000000, -0.0001698800000000 ] - [ -0.0001988700000000, 0.0000773100000000, -0.0001221200000000 ] - [ -0.0002431700000000, -0.0000749100000000, 0.0003335300000000 ] - [ -0.0002032100000000, -0.0000722400000000, 0.0004366300000000 ] - [ 0.0001319600000000, 0.0000292100000000, 0.0004003900000000 ] - [ -0.0010560400000000, 0.0002467100000000, -0.0006315600000000 ] - [ -0.0025099000000000, -0.0003018600000000, -0.0005054200000000 ] - [ 0.0001659500000000, 0.0000136600000000, 0.0005568600000000 ] - [ 0.0015126400000000, 0.0008010400000000, -0.0014348600000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018043800000000, -0.0005284700000000, -0.0016574100000000 ] - [ 0.0066655600000000, -0.0011044200000000, -0.0054931200000000 ] - [ 0.0038393900000000, 0.0000791600000000, -0.0020383600000000 ] - [ -0.0064819500000000, -0.0028249600000000, 0.0097307800000000 ] - [ -0.0064894000000000, 0.0028005000000000, -0.0096776100000000 ] - [ -0.0026244500000000, -0.0006798600000000, -0.0086064500000000 ] - [ 0.0017410300000000, 0.0000125200000000, 0.0014109400000000 ] - [ -0.0026495500000000, 0.0007039500000000, 0.0086124400000000 ] - [ -0.0867921400000000, 0.0004083100000000, -0.0000418100000000 ] - [ -0.0046819300000000, 0.0000823400000000, 0.0001914500000000 ] - [ -0.0020394700000000, 0.0004806000000000, 0.0018875700000000 ] - [ 0.0068732200000000, 0.0011475400000000, 0.0056627600000000 ] - [ 0.0031595000000000, -0.0000797900000000, -0.0002117600000000 ] - [ 0.0021331800000000, -0.0000113900000000, -0.0001349900000000 ] - [ 0.0017332000000000, -0.0000138800000000, -0.0017726200000000 ] - [ 0.0027622900000000, 0.0002374900000000, -0.0001458000000000 ] - [ 0.0026872600000000, -0.0002514300000000, 0.0001738000000000 ] - [ 0.0029514800000000, -0.0002792300000000, -0.0005587700000000 ] - [ 0.0038474700000000, -0.0000760600000000, 0.0016955800000000 ] - [ 0.0028774900000000, 0.0002931900000000, 0.0005892700000000 ] - [ 0.0026110500000000, -0.0000827300000000, 0.0001884700000000 ] - [ 0.0030243900000000, 0.0000826100000000, 0.0001874600000000 ] - [ 0.0029407200000000, 0.0000311900000000, 0.0004282200000000 ] - [ 0.0023482900000000, 0.0000608300000000, 0.0003557100000000 ] - [ -0.0297975500000000, -0.0000957600000000, -0.0001050100000000 ] - [ -0.0018756500000000, 0.0000674700000000, 0.0029408300000000 ] - [ 0.0167175600000000, -0.0009565400000000, -0.0099853500000000 ] - [ 0.0168007200000000, 0.0008043900000000, 0.0100254400000000 ] - [ -0.0019505500000000, 0.0000211400000000, -0.0030004100000000 ] - [ 0.0018731800000000, 0.0000005500000000, 0.0009574900000000 ] - [ 0.0057473600000000, 0.0006326900000000, -0.0018043000000000 ] - [ -0.0079209100000000, 0.0000818100000000, -0.0002033300000000 ] - [ 0.0031120700000000, -0.0000772000000000, -0.0001610000000000 ] - [ 0.0039045100000000, 0.0001548800000000, 0.0007327600000000 ] - [ 0.0025685900000000, -0.0001376200000000, -0.0003444500000000 ] - [ 0.0025247900000000, 0.0000455700000000, 0.0002848500000000 ] - [ 0.0038524800000000, -0.0000634400000000, -0.0007883100000000 ] - [ 0.0057324800000000, -0.0006339100000000, 0.0014314700000000 ] - [ 0.0018827100000000, 0.0000006700000000, -0.0013124700000000 ] - [ 0.0032754300000000, 0.0000777800000000, -0.0001628500000000 ] - [ -0.0023757500000000, -0.0008510100000000, 0.0060840600000000 ] - [ -0.0044945600000000, -0.0022243500000000, -0.0035112600000000 ] - [ 0.0008192500000000, 0.0001304500000000, 0.0008582400000000 ] - [ 0.0080362100000000, 0.0000507400000000, 0.0002060900000000 ] - [ -0.0021401300000000, 0.0011894900000000, -0.0062956100000000 ] - [ -0.0057136100000000, 0.0002175400000000, -0.0010402000000000 ] - [ -0.0033555000000000, 0.0009305700000000, 0.0015249100000000 ] - [ 0.0049650200000000, -0.0009417100000000, 0.0004009400000000 ] - [ 0.0166638400000000, -0.0006605300000000, 0.0043384400000000 ] - [ 0.0052139200000000, 0.0009402100000000, -0.0002817000000000 ] - [ -0.0002864800000000, -0.0000777600000000, 0.0004290200000000 ] - [ 0.0147319600000000, 0.0001047500000000, 0.0002076400000000 ] - [ -0.0006257700000000, 0.0000972400000000, 0.0011674300000000 ] - [ 0.0161876900000000, 0.0008820400000000, -0.0044462400000000 ] - [ -0.0059148700000000, -0.0000686400000000, 0.0011211100000000 ] - [ 0.0193411600000000, -0.0074040600000000, 0.0023983600000000 ] - [ -0.0001358200000000, 0.0000895300000000, -0.0035610900000000 ] - [ 0.0001145200000000, -0.0004090300000000, 0.0033807600000000 ] - [ 0.0029092900000000, 0.0004048600000000, 0.0012777900000000 ] - [ 0.0027470200000000, -0.0004812300000000, -0.0011052600000000 ] - [ -0.0008319300000000, 0.0000890900000000, -0.0016056300000000 ] - [ 0.0059273700000000, -0.0001000500000000, 0.0002089600000000 ] - [ 0.0122481400000000, -0.0000896600000000, 0.0001747400000000 ] - [ 0.0180848700000000, 0.0068764500000000, -0.0017972900000000 ] - [ 0.0005714400000000, 0.0001619000000000, -0.0008733300000000 ] - [ -0.0001057500000000, -0.0000638500000000, -0.0003517200000000 ] - [ -0.0046920600000000, 0.0019100200000000, 0.0034678200000000 ] - [ -0.0031359900000000, -0.0011145200000000, -0.0019410800000000 ] - [ -0.0018393100000000, 0.0001380400000000, 0.0003822700000000 ] - [ -0.0013320400000000, -0.0001136600000000, -0.0000362200000000 ] - [ -0.0020228900000000, 0.0000491500000000, 0.0003435900000000 ] - [ -0.0020691000000000, 0.0000601400000000, 0.0002182000000000 ] - [ -0.0016060800000000, 0.0001859500000000, -0.0005750000000000 ] - [ -0.0014532400000000, 0.0000787200000000, -0.0005548600000000 ] - [ -0.0016929700000000, 0.0003416800000000, 0.0005648800000000 ] - [ -0.0027939100000000, 0.0000309800000000, 0.0004339500000000 ] - [ -0.0023075200000000, 0.0000911700000000, -0.0001466000000000 ] - [ -0.0025690000000000, -0.0000357600000000, -0.0003302200000000 ] - [ -0.0034028100000000, 0.0002151700000000, 0.0009201800000000 ] - [ -0.0018724300000000, 0.0000909300000000, 0.0001985500000000 ] - [ -0.0024436100000000, 0.0008911200000000, 0.0006717000000000 ] - [ -0.0025313300000000, -0.0000855600000000, 0.0002490600000000 ] - [ -0.0016484600000000, 0.0000623000000000, 0.0006358500000000 ] - [ -0.0020209800000000, -0.0000354200000000, -0.0002570300000000 ] - [ -0.0020269100000000, -0.0001986700000000, -0.0005367200000000 ] - [ -0.0017919800000000, -0.0001258600000000, 0.0003390100000000 ] - [ -0.0025905700000000, 0.0001034000000000, -0.0001379000000000 ] - [ -0.0027370600000000, -0.0001793500000000, 0.0003134500000000 ] - [ -0.0026542100000000, -0.0007076600000000, -0.0010953500000000 ] - [ -0.0018360500000000, -0.0000916300000000, 0.0001986100000000 ] - [ -0.0019074600000000, -0.0000597700000000, 0.0002184600000000 ] - [ -0.0021646800000000, 0.0001102200000000, 0.0004329100000000 ] - [ -0.0022582600000000, 0.0002417500000000, -0.0003569700000000 ] - [ -0.0032168400000000, -0.0003551200000000, -0.0008381300000000 ] - [ -0.0015638100000000, -0.0001762000000000, 0.0000246800000000 ] - [ -0.0014794400000000, -0.0005250400000000, -0.0009973900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004556200000000, -0.0003985300000000, -0.0003570300000000 ] - [ 0.0009791000000000, 0.0047043900000000, 0.0019143900000000 ] - [ 0.0001714200000000, 0.0003222400000000, -0.0003409400000000 ] - [ 0.0018044100000000, 0.0060673300000000, -0.0010474300000000 ] - [ -0.0018044100000000, 0.0060673300000000, -0.0010474300000000 ] - [ -0.0004780100000000, -0.0039579300000000, -0.0001604800000000 ] - [ -0.0002979900000000, -0.0000505400000000, -0.0001099200000000 ] - [ 0.0004780100000000, -0.0039579300000000, -0.0001604800000000 ] - [ 0.0000000000000000, -0.0598569600000000, 0.0072614200000000 ] - [ 0.0000000000000000, 0.0009253700000000, 0.0002710900000000 ] - [ 0.0004556200000000, -0.0003985300000000, -0.0003570300000000 ] - [ -0.0009791000000000, 0.0047043900000000, 0.0019143900000000 ] - [ 0.0000881000000000, 0.0000034200000000, 0.0001974300000000 ] - [ -0.0001326000000000, 0.0000109500000000, 0.0000399200000000 ] - [ 0.0002979900000000, -0.0000505400000000, -0.0001099200000000 ] - [ 0.0000053400000000, -0.0000124100000000, 0.0000415300000000 ] - [ -0.0000053400000000, -0.0000124100000000, 0.0000415300000000 ] - [ 0.0000507500000000, 0.0000070200000000, -0.0000147500000000 ] - [ -0.0001714200000000, 0.0003222400000000, -0.0003409400000000 ] - [ -0.0000507500000000, 0.0000070200000000, -0.0000147500000000 ] - [ 0.0000000000000000, -0.0000790800000000, 0.0001660400000000 ] - [ 0.0000000000000000, 0.0000873900000000, 0.0002198700000000 ] - [ -0.0000881000000000, 0.0000034200000000, 0.0001974300000000 ] - [ 0.0001326000000000, 0.0000109500000000, 0.0000399200000000 ] - [ 0.0000000000000000, 0.0251974600000000, -0.0128238400000000 ] - [ -0.0004864800000000, 0.0004820100000000, -0.0003442100000000 ] - [ 0.0047497300000000, -0.0047790300000000, -0.0027195300000000 ] - [ -0.0047497300000000, -0.0047790300000000, -0.0027195300000000 ] - [ 0.0004864800000000, 0.0004820100000000, -0.0003442100000000 ] - [ 0.0001827500000000, 0.0000492300000000, -0.0004788100000000 ] - [ -0.0002604300000000, -0.0008000500000000, 0.0006799600000000 ] - [ 0.0000000000000000, -0.0048174500000000, 0.0054547700000000 ] - [ 0.0000000000000000, -0.0000456000000000, -0.0001936200000000 ] - [ -0.0000476800000000, -0.0000078800000000, -0.0000532300000000 ] - [ 0.0001175000000000, -0.0000428500000000, -0.0000128800000000 ] - [ -0.0001175000000000, -0.0000428500000000, -0.0000128800000000 ] - [ 0.0000476800000000, -0.0000078800000000, -0.0000532300000000 ] - [ 0.0002604300000000, -0.0008000500000000, 0.0006799600000000 ] - [ -0.0001827500000000, 0.0000492300000000, -0.0004788100000000 ] - [ 0.0000000000000000, 0.0000640000000000, -0.0001329100000000 ] - [ -0.0012216900000000, 0.0001057900000000, 0.0020832100000000 ] - [ -0.0005905200000000, 0.0014655600000000, -0.0002247200000000 ] - [ -0.0002127500000000, 0.0002335800000000, 0.0002054000000000 ] - [ 0.0000000000000000, -0.0008261600000000, 0.0032784500000000 ] - [ 0.0012216900000000, 0.0001057900000000, 0.0020832100000000 ] - [ -0.0021390600000000, 0.0001990000000000, -0.0005055800000000 ] - [ -0.0004863800000000, 0.0001645400000000, -0.0005518600000000 ] - [ 0.0012219100000000, -0.0000293600000000, -0.0017395800000000 ] - [ 0.0003092600000000, 0.0035391100000000, -0.0012246400000000 ] - [ -0.0012219100000000, -0.0000293600000000, -0.0017395800000000 ] - [ -0.0002738700000000, -0.0000842100000000, 0.0001933400000000 ] - [ 0.0000000000000000, -0.0001921100000000, -0.0007414200000000 ] - [ 0.0002488400000000, -0.0000185400000000, 0.0000236100000000 ] - [ -0.0003092600000000, 0.0035391100000000, -0.0012246400000000 ] - [ 0.0021390600000000, 0.0001990000000000, -0.0005055800000000 ] - [ -0.0057282800000000, 0.0076855200000000, -0.0020191200000000 ] - [ 0.0000933400000000, -0.0005558300000000, -0.0003078800000000 ] - [ -0.0000933400000000, -0.0005558300000000, -0.0003078800000000 ] - [ -0.0000045100000000, -0.0000746500000000, 0.0000748400000000 ] - [ 0.0000045100000000, -0.0000746500000000, 0.0000748400000000 ] - [ -0.0002488400000000, -0.0000185400000000, 0.0000236100000000 ] - [ 0.0000000000000000, 0.0015441500000000, 0.0014863800000000 ] - [ 0.0000000000000000, 0.0091464000000000, 0.0093225300000000 ] - [ 0.0057282800000000, 0.0076855200000000, -0.0020191200000000 ] - [ 0.0002127500000000, 0.0002335800000000, 0.0002054000000000 ] - [ 0.0002738700000000, -0.0000842100000000, 0.0001933400000000 ] - [ 0.0005905200000000, 0.0014655600000000, -0.0002247200000000 ] - [ 0.0004863800000000, 0.0001645400000000, -0.0005518600000000 ] - [ -0.0001895900000000, 0.0001777100000000, -0.0001440800000000 ] - [ 0.0001797000000000, -0.0001868400000000, -0.0000157100000000 ] - [ 0.0000339200000000, 0.0001955500000000, -0.0000023700000000 ] - [ 0.0000000000000000, 0.0000658800000000, 0.0001567700000000 ] - [ 0.0001895900000000, 0.0001777100000000, -0.0001440800000000 ] - [ -0.0000371800000000, 0.0000709800000000, 0.0000758000000000 ] - [ -0.0001071700000000, -0.0001251000000000, -0.0000445800000000 ] - [ -0.0001151600000000, -0.0000213600000000, 0.0000622000000000 ] - [ 0.0001292900000000, 0.0000194500000000, 0.0001187500000000 ] - [ 0.0001151600000000, -0.0000213600000000, 0.0000622000000000 ] - [ -0.0001107600000000, 0.0000719200000000, -0.0000508200000000 ] - [ 0.0000000000000000, 0.0000961900000000, 0.0002338400000000 ] - [ 0.0001299600000000, 0.0001611500000000, -0.0004681000000000 ] - [ -0.0001292900000000, 0.0000194500000000, 0.0001187500000000 ] - [ 0.0000371800000000, 0.0000709800000000, 0.0000758000000000 ] - [ 0.0000835900000000, 0.0000586600000000, 0.0000905900000000 ] - [ -0.0001142600000000, -0.0001874300000000, -0.0000678600000000 ] - [ 0.0001142600000000, -0.0001874300000000, -0.0000678600000000 ] - [ 0.0000201000000000, -0.0000367300000000, 0.0000620300000000 ] - [ -0.0000201000000000, -0.0000367300000000, 0.0000620300000000 ] - [ -0.0001299600000000, 0.0001611500000000, -0.0004681000000000 ] - [ 0.0000000000000000, -0.0001050900000000, 0.0001948600000000 ] - [ 0.0000000000000000, -0.0000560800000000, 0.0001319200000000 ] - [ -0.0000835900000000, 0.0000586600000000, 0.0000905900000000 ] - [ -0.0000339200000000, 0.0001955500000000, -0.0000023700000000 ] - [ 0.0001107600000000, 0.0000719200000000, -0.0000508200000000 ] - [ -0.0001797000000000, -0.0001868400000000, -0.0000157100000000 ] - [ 0.0001071700000000, -0.0001251000000000, -0.0000445800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006727000000000, 0.0003498600000000, 0.0005699900000000 ] - [ -0.0011442500000000, -0.0046415400000000, -0.0016935800000000 ] - [ -0.0001694600000000, -0.0003204000000000, -0.0000137300000000 ] - [ -0.0017030500000000, -0.0060753900000000, 0.0011299400000000 ] - [ 0.0017030500000000, -0.0060753900000000, 0.0011299400000000 ] - [ 0.0005349500000000, 0.0039585500000000, 0.0002098900000000 ] - [ 0.0002952500000000, 0.0000497300000000, -0.0002448000000000 ] - [ -0.0005349500000000, 0.0039585500000000, 0.0002098900000000 ] - [ 0.0000000000000000, 0.0592152600000000, -0.0065852600000000 ] - [ 0.0000000000000000, -0.0007580400000000, 0.0001007000000000 ] - [ -0.0006727000000000, 0.0003498600000000, 0.0005699900000000 ] - [ 0.0011442500000000, -0.0046415400000000, -0.0016935800000000 ] - [ 0.0001282300000000, -0.0000509300000000, 0.0000220900000000 ] - [ -0.0000833300000000, 0.0000367000000000, 0.0001781400000000 ] - [ -0.0002952500000000, 0.0000497300000000, -0.0002448000000000 ] - [ 0.0000590600000000, 0.0000006700000000, -0.0000122100000000 ] - [ -0.0000590600000000, 0.0000006700000000, -0.0000122100000000 ] - [ 0.0000139600000000, 0.0000033300000000, 0.0000443400000000 ] - [ 0.0001694600000000, -0.0003204000000000, -0.0000137300000000 ] - [ -0.0000139600000000, 0.0000033300000000, 0.0000443400000000 ] - [ 0.0000000000000000, -0.0000887200000000, 0.0002137000000000 ] - [ 0.0000000000000000, 0.0000800900000000, 0.0001607400000000 ] - [ -0.0001282300000000, -0.0000509300000000, 0.0000220900000000 ] - [ 0.0000833300000000, 0.0000367000000000, 0.0001781400000000 ] - [ 0.0000000000000000, -0.0252702400000000, 0.0121514100000000 ] - [ 0.0005426400000000, -0.0003826500000000, 0.0002800700000000 ] - [ -0.0046514200000000, 0.0046534000000000, 0.0026474800000000 ] - [ 0.0046514200000000, 0.0046534000000000, 0.0026474800000000 ] - [ -0.0005426400000000, -0.0003826500000000, 0.0002800700000000 ] - [ -0.0001823000000000, -0.0000494700000000, 0.0001081000000000 ] - [ 0.0002607200000000, 0.0007935200000000, -0.0010408300000000 ] - [ 0.0000000000000000, 0.0049693100000000, -0.0058167400000000 ] - [ 0.0000000000000000, -0.0000887000000000, -0.0001302300000000 ] - [ 0.0001054900000000, 0.0001054500000000, -0.0000048800000000 ] - [ -0.0000598800000000, -0.0000542700000000, -0.0000461700000000 ] - [ 0.0000598800000000, -0.0000542700000000, -0.0000461700000000 ] - [ -0.0001054900000000, 0.0001054500000000, -0.0000048800000000 ] - [ -0.0002607200000000, 0.0007935200000000, -0.0010408300000000 ] - [ 0.0001823000000000, -0.0000494700000000, 0.0001081000000000 ] - [ 0.0000000000000000, 0.0000738500000000, -0.0001915200000000 ] - [ 0.0009616800000000, 0.0002425300000000, -0.0022765200000000 ] - [ 0.0008320600000000, -0.0017859600000000, 0.0001933800000000 ] - [ 0.0004585600000000, 0.0000945500000000, -0.0002259500000000 ] - [ 0.0000000000000000, 0.0009351400000000, -0.0028907400000000 ] - [ -0.0009616800000000, 0.0002425300000000, -0.0022765200000000 ] - [ 0.0022929000000000, -0.0000467100000000, 0.0005792900000000 ] - [ 0.0002766200000000, -0.0003387900000000, 0.0001486900000000 ] - [ -0.0014644100000000, 0.0000074900000000, 0.0018929800000000 ] - [ 0.0000916700000000, -0.0032185700000000, 0.0011493800000000 ] - [ 0.0014644100000000, 0.0000074900000000, 0.0018929800000000 ] - [ 0.0001053200000000, -0.0000658600000000, -0.0001093800000000 ] - [ 0.0000000000000000, 0.0002702200000000, 0.0009873600000000 ] - [ -0.0000434300000000, 0.0001953300000000, -0.0004232700000000 ] - [ -0.0000916700000000, -0.0032185700000000, 0.0011493800000000 ] - [ -0.0022929000000000, -0.0000467100000000, 0.0005792900000000 ] - [ 0.0061029800000000, -0.0076946800000000, 0.0022817200000000 ] - [ -0.0003432700000000, 0.0002105600000000, 0.0001044300000000 ] - [ 0.0003432700000000, 0.0002105600000000, 0.0001044300000000 ] - [ 0.0001237400000000, -0.0000096100000000, 0.0000943100000000 ] - [ -0.0001237400000000, -0.0000096100000000, 0.0000943100000000 ] - [ 0.0000434300000000, 0.0001953300000000, -0.0004232700000000 ] - [ 0.0000000000000000, -0.0017431400000000, -0.0010801500000000 ] - [ 0.0000000000000000, -0.0091331400000000, -0.0086290100000000 ] - [ -0.0061029800000000, -0.0076946800000000, 0.0022817200000000 ] - [ -0.0004585600000000, 0.0000945500000000, -0.0002259500000000 ] - [ -0.0001053200000000, -0.0000658600000000, -0.0001093800000000 ] - [ -0.0008320600000000, -0.0017859600000000, 0.0001933800000000 ] - [ -0.0002766200000000, -0.0003387900000000, 0.0001486900000000 ] - [ -0.0000625700000000, 0.0001693900000000, -0.0000619900000000 ] - [ 0.0000678500000000, -0.0001404000000000, -0.0000082400000000 ] - [ 0.0002134200000000, 0.0001318600000000, -0.0000213600000000 ] - [ 0.0000000000000000, 0.0000541500000000, 0.0002096600000000 ] - [ 0.0000625700000000, 0.0001693900000000, -0.0000619900000000 ] - [ 0.0002037300000000, 0.0000799700000000, 0.0000051100000000 ] - [ -0.0001006000000000, -0.0000514400000000, -0.0003557300000000 ] - [ -0.0001205300000000, 0.0000010400000000, 0.0000760700000000 ] - [ 0.0001073200000000, -0.0000002700000000, 0.0000223100000000 ] - [ 0.0001205300000000, 0.0000010400000000, 0.0000760700000000 ] - [ -0.0000569600000000, -0.0002214300000000, 0.0001304800000000 ] - [ 0.0000000000000000, 0.0000954900000000, 0.0001781700000000 ] - [ 0.0000762400000000, 0.0000159100000000, 0.0000656600000000 ] - [ -0.0001073200000000, -0.0000002700000000, 0.0000223100000000 ] - [ -0.0002037300000000, 0.0000799700000000, 0.0000051100000000 ] - [ 0.0000375800000000, 0.0000273200000000, 0.0000747200000000 ] - [ -0.0001381300000000, -0.0001594500000000, -0.0001375200000000 ] - [ 0.0001381300000000, -0.0001594500000000, -0.0001375200000000 ] - [ 0.0001000900000000, -0.0000485400000000, 0.0001022700000000 ] - [ -0.0001000900000000, -0.0000485400000000, 0.0001022700000000 ] - [ -0.0000762400000000, 0.0000159100000000, 0.0000656600000000 ] - [ 0.0000000000000000, -0.0000887100000000, 0.0002158800000000 ] - [ 0.0000000000000000, -0.0000643900000000, 0.0002366400000000 ] - [ -0.0000375800000000, 0.0000273200000000, 0.0000747200000000 ] - [ -0.0002134200000000, 0.0001318600000000, -0.0000213600000000 ] - [ 0.0000569600000000, -0.0002214300000000, 0.0001304800000000 ] - [ -0.0000678500000000, -0.0001404000000000, -0.0000082400000000 ] - [ 0.0001006000000000, -0.0000514400000000, -0.0003557300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0019244600000000, -0.0005161400000000, 0.0044516500000000 ] - [ -0.0059750800000000, -0.0019183000000000, -0.0073050800000000 ] - [ -0.0018073500000000, -0.0001125200000000, 0.0000739000000000 ] - [ 0.0096642200000000, 0.0017309700000000, 0.0034870200000000 ] - [ -0.0096642200000000, 0.0017309700000000, 0.0034870200000000 ] - [ -0.0112384500000000, 0.0000007000000000, 0.0122520200000000 ] - [ 0.0017309300000000, -0.0001679000000000, 0.0000061100000000 ] - [ 0.0112384500000000, 0.0000007000000000, 0.0122520200000000 ] - [ 0.0000000000000000, 0.0063066500000000, -0.0945549600000000 ] - [ 0.0000000000000000, -0.0000023900000000, 0.0111647900000000 ] - [ 0.0019244600000000, -0.0005161400000000, 0.0044516500000000 ] - [ 0.0059750800000000, -0.0019183000000000, -0.0073050800000000 ] - [ -0.0000299700000000, 0.0000037700000000, -0.0003625900000000 ] - [ -0.0002147700000000, 0.0000653800000000, 0.0005364200000000 ] - [ -0.0017309300000000, -0.0001679000000000, 0.0000061100000000 ] - [ 0.0001972600000000, 0.0000151400000000, -0.0000165600000000 ] - [ -0.0001972600000000, 0.0000151400000000, -0.0000165600000000 ] - [ -0.0001173900000000, 0.0000227800000000, 0.0000573100000000 ] - [ 0.0018073500000000, -0.0001125200000000, 0.0000739000000000 ] - [ 0.0001173900000000, 0.0000227800000000, 0.0000573100000000 ] - [ 0.0000000000000000, -0.0001079100000000, 0.0003575700000000 ] - [ 0.0000000000000000, 0.0000549300000000, 0.0000113600000000 ] - [ 0.0000299700000000, 0.0000037700000000, -0.0003625900000000 ] - [ 0.0002147700000000, 0.0000653800000000, 0.0005364200000000 ] - [ 0.0000000000000000, -0.0004126400000000, 0.0153526700000000 ] - [ 0.0020287900000000, -0.0003260700000000, 0.0039109300000000 ] - [ -0.0083888600000000, -0.0003163700000000, -0.0004412100000000 ] - [ 0.0083888600000000, -0.0003163700000000, -0.0004412100000000 ] - [ -0.0020287900000000, -0.0003260700000000, 0.0039109300000000 ] - [ -0.0002188000000000, 0.0006578700000000, 0.0022188100000000 ] - [ 0.0001412600000000, 0.0012377900000000, -0.0035079700000000 ] - [ 0.0000000000000000, 0.0003773100000000, 0.0236081500000000 ] - [ 0.0000000000000000, -0.0001000900000000, -0.0000838300000000 ] - [ 0.0003340900000000, 0.0001205300000000, -0.0002200400000000 ] - [ -0.0002432700000000, -0.0000051700000000, 0.0002183900000000 ] - [ 0.0002432700000000, -0.0000051700000000, 0.0002183900000000 ] - [ -0.0003340900000000, 0.0001205300000000, -0.0002200400000000 ] - [ -0.0001412600000000, 0.0012377900000000, -0.0035079700000000 ] - [ 0.0002188000000000, 0.0006578700000000, 0.0022188100000000 ] - [ 0.0000000000000000, 0.0000686900000000, -0.0002320200000000 ] - [ 0.0026569400000000, -0.0006359300000000, -0.0007693200000000 ] - [ -0.0034375400000000, -0.0007613600000000, 0.0021340300000000 ] - [ 0.0020818500000000, 0.0005893400000000, -0.0028123100000000 ] - [ 0.0000000000000000, -0.0016446900000000, -0.0092209700000000 ] - [ -0.0026569400000000, -0.0006359300000000, -0.0007693200000000 ] - [ 0.0029662000000000, 0.0005263000000000, 0.0025373700000000 ] - [ 0.0014950800000000, -0.0007620300000000, 0.0014571400000000 ] - [ 0.0037411800000000, -0.0010089800000000, -0.0076861700000000 ] - [ 0.0051743100000000, -0.0024613900000000, 0.0088257900000000 ] - [ -0.0037411800000000, -0.0010089800000000, -0.0076861700000000 ] - [ 0.0012079700000000, 0.0002034700000000, -0.0020793200000000 ] - [ 0.0000000000000000, -0.0007602500000000, 0.0008136900000000 ] - [ 0.0008768400000000, -0.0002240000000000, -0.0017504100000000 ] - [ -0.0051743100000000, -0.0024613900000000, 0.0088257900000000 ] - [ -0.0029662000000000, 0.0005263000000000, 0.0025373700000000 ] - [ 0.0023241800000000, -0.0022546200000000, 0.0111543300000000 ] - [ -0.0032583800000000, -0.0008701000000000, -0.0016111700000000 ] - [ 0.0032583800000000, -0.0008701000000000, -0.0016111700000000 ] - [ 0.0007697500000000, -0.0004355600000000, -0.0045070700000000 ] - [ -0.0007697500000000, -0.0004355600000000, -0.0045070700000000 ] - [ -0.0008768400000000, -0.0002240000000000, -0.0017504100000000 ] - [ 0.0000000000000000, 0.0021123100000000, -0.0085850700000000 ] - [ 0.0000000000000000, 0.0101051100000000, 0.0201710600000000 ] - [ -0.0023241800000000, -0.0022546200000000, 0.0111543300000000 ] - [ -0.0020818500000000, 0.0005893400000000, -0.0028123100000000 ] - [ -0.0012079700000000, 0.0002034700000000, -0.0020793200000000 ] - [ 0.0034375400000000, -0.0007613600000000, 0.0021340300000000 ] - [ -0.0014950800000000, -0.0007620300000000, 0.0014571400000000 ] - [ 0.0002022100000000, 0.0002379100000000, -0.0001162700000000 ] - [ -0.0001095800000000, -0.0001687600000000, -0.0001857400000000 ] - [ 0.0003896500000000, 0.0000897400000000, 0.0001625900000000 ] - [ 0.0000000000000000, 0.0000283600000000, 0.0002218700000000 ] - [ -0.0002022100000000, 0.0002379100000000, -0.0001162700000000 ] - [ 0.0002634500000000, 0.0001011000000000, -0.0006115800000000 ] - [ 0.0001829400000000, -0.0002060100000000, -0.0010315200000000 ] - [ -0.0000918400000000, 0.0000151700000000, 0.0001541900000000 ] - [ 0.0001386300000000, 0.0000082400000000, -0.0000596500000000 ] - [ 0.0000918400000000, 0.0000151700000000, 0.0001541900000000 ] - [ 0.0001203900000000, -0.0001108000000000, 0.0008470500000000 ] - [ 0.0000000000000000, 0.0000985400000000, 0.0001243800000000 ] - [ 0.0004816300000000, -0.0001295100000000, 0.0006943700000000 ] - [ -0.0001386300000000, 0.0000082400000000, -0.0000596500000000 ] - [ -0.0002634500000000, 0.0001011000000000, -0.0006115800000000 ] - [ -0.0000466600000000, -0.0000238200000000, -0.0000758900000000 ] - [ -0.0004014600000000, -0.0000807300000000, -0.0001016300000000 ] - [ 0.0004014600000000, -0.0000807300000000, -0.0001016300000000 ] - [ 0.0002104800000000, -0.0001046000000000, 0.0002492400000000 ] - [ -0.0002104800000000, -0.0001046000000000, 0.0002492400000000 ] - [ -0.0004816300000000, -0.0001295100000000, 0.0006943700000000 ] - [ 0.0000000000000000, -0.0000840900000000, 0.0002666000000000 ] - [ 0.0000000000000000, -0.0000909100000000, 0.0002303800000000 ] - [ 0.0000466600000000, -0.0000238200000000, -0.0000758900000000 ] - [ -0.0003896500000000, 0.0000897400000000, 0.0001625900000000 ] - [ -0.0001203900000000, -0.0001108000000000, 0.0008470500000000 ] - [ 0.0001095800000000, -0.0001687600000000, -0.0001857400000000 ] - [ -0.0001829400000000, -0.0002060100000000, -0.0010315200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0021233300000000, 0.0004644700000000, -0.0042380800000000 ] - [ 0.0057317800000000, 0.0019744900000000, 0.0075575700000000 ] - [ 0.0018103300000000, 0.0001136500000000, -0.0004382200000000 ] - [ -0.0095223600000000, -0.0017337300000000, -0.0034904900000000 ] - [ 0.0095223600000000, -0.0017337300000000, -0.0034904900000000 ] - [ 0.0114144200000000, 0.0000176300000000, -0.0123097300000000 ] - [ -0.0017364700000000, 0.0001683100000000, -0.0003555400000000 ] - [ -0.0114144200000000, 0.0000176300000000, -0.0123097300000000 ] - [ 0.0000000000000000, -0.0075167100000000, 0.0946502600000000 ] - [ 0.0000000000000000, 0.0001622300000000, -0.0107742200000000 ] - [ -0.0021233300000000, 0.0004644700000000, -0.0042380800000000 ] - [ -0.0057317800000000, 0.0019744900000000, 0.0075575700000000 ] - [ 0.0002459800000000, -0.0000532600000000, 0.0005818400000000 ] - [ -0.0000046000000000, -0.0000165100000000, -0.0003200100000000 ] - [ 0.0017364700000000, 0.0001683100000000, -0.0003555400000000 ] - [ -0.0001207400000000, -0.0000303800000000, 0.0000471200000000 ] - [ 0.0001207400000000, -0.0000303800000000, 0.0000471200000000 ] - [ 0.0001939900000000, -0.0000077300000000, -0.0000291200000000 ] - [ -0.0018103300000000, 0.0001136500000000, -0.0004382200000000 ] - [ -0.0001939900000000, -0.0000077300000000, -0.0000291200000000 ] - [ 0.0000000000000000, -0.0000554000000000, 0.0000153300000000 ] - [ 0.0000000000000000, 0.0001089700000000, 0.0003628500000000 ] - [ -0.0002459800000000, -0.0000532600000000, 0.0005818400000000 ] - [ 0.0000046000000000, -0.0000165100000000, -0.0003200100000000 ] - [ 0.0000000000000000, 0.0003991100000000, -0.0157271200000000 ] - [ -0.0019965000000000, 0.0004180400000000, -0.0039607600000000 ] - [ 0.0084730200000000, 0.0001967000000000, 0.0003238800000000 ] - [ -0.0084730200000000, 0.0001967000000000, 0.0003238800000000 ] - [ 0.0019965000000000, 0.0004180400000000, -0.0039607600000000 ] - [ 0.0002281800000000, -0.0006569000000000, -0.0025888300000000 ] - [ -0.0001507400000000, -0.0012438000000000, 0.0031536100000000 ] - [ 0.0000000000000000, -0.0001279600000000, -0.0237416000000000 ] - [ 0.0000000000000000, -0.0000647200000000, -0.0002392300000000 ] - [ -0.0002885000000000, -0.0000298500000000, 0.0001589500000000 ] - [ 0.0002929100000000, -0.0000874900000000, -0.0002724300000000 ] - [ -0.0002929100000000, -0.0000874900000000, -0.0002724300000000 ] - [ 0.0002885000000000, -0.0000298500000000, 0.0001589500000000 ] - [ 0.0001507400000000, -0.0012438000000000, 0.0031536100000000 ] - [ -0.0002281800000000, -0.0006569000000000, -0.0025888300000000 ] - [ 0.0000000000000000, 0.0000967000000000, -0.0000901700000000 ] - [ -0.0028851100000000, 0.0009468400000000, 0.0006166200000000 ] - [ 0.0036718400000000, 0.0005002100000000, -0.0021239000000000 ] - [ -0.0018640100000000, -0.0003217500000000, 0.0028020000000000 ] - [ 0.0000000000000000, 0.0017369700000000, 0.0096642300000000 ] - [ 0.0028851100000000, 0.0009468400000000, 0.0006166200000000 ] - [ -0.0027934400000000, -0.0003901300000000, -0.0024609200000000 ] - [ -0.0017004000000000, 0.0005708100000000, -0.0019005800000000 ] - [ -0.0039613100000000, 0.0009975500000000, 0.0077749800000000 ] - [ -0.0048000700000000, 0.0026842200000000, -0.0089711400000000 ] - [ 0.0039613100000000, 0.0009975500000000, 0.0077749800000000 ] - [ -0.0014149400000000, -0.0003343500000000, 0.0021628000000000 ] - [ 0.0000000000000000, 0.0006489400000000, -0.0009888100000000 ] - [ -0.0006626900000000, 0.0004115100000000, 0.0013213400000000 ] - [ 0.0048000700000000, 0.0026842200000000, -0.0089711400000000 ] - [ 0.0027934400000000, -0.0003901300000000, -0.0024609200000000 ] - [ -0.0020607300000000, 0.0022814000000000, -0.0109417600000000 ] - [ 0.0030389200000000, 0.0005605400000000, 0.0014101100000000 ] - [ -0.0030389200000000, 0.0005605400000000, 0.0014101100000000 ] - [ -0.0006331000000000, 0.0003654800000000, 0.0046813600000000 ] - [ 0.0006331000000000, 0.0003654800000000, 0.0046813600000000 ] - [ 0.0006626900000000, 0.0004115100000000, 0.0013213400000000 ] - [ 0.0000000000000000, -0.0022677000000000, 0.0089128800000000 ] - [ 0.0000000000000000, -0.0094424500000000, -0.0183105700000000 ] - [ 0.0020607300000000, 0.0022814000000000, -0.0109417600000000 ] - [ 0.0018640100000000, -0.0003217500000000, 0.0028020000000000 ] - [ 0.0014149400000000, -0.0003343500000000, 0.0021628000000000 ] - [ -0.0036718400000000, 0.0005002100000000, -0.0021239000000000 ] - [ 0.0017004000000000, 0.0005708100000000, -0.0019005800000000 ] - [ -0.0004328400000000, 0.0000775300000000, -0.0000745900000000 ] - [ 0.0003412200000000, -0.0001047700000000, 0.0001744400000000 ] - [ -0.0001602100000000, 0.0001820400000000, -0.0001728200000000 ] - [ 0.0000000000000000, 0.0000915300000000, 0.0002316200000000 ] - [ 0.0004328400000000, 0.0000775300000000, -0.0000745900000000 ] - [ -0.0000686700000000, 0.0000304800000000, 0.0006914800000000 ] - [ -0.0003905600000000, 0.0000180700000000, 0.0006008200000000 ] - [ -0.0001398700000000, -0.0000119400000000, -0.0000579900000000 ] - [ 0.0000941400000000, -0.0000118500000000, 0.0001578300000000 ] - [ 0.0001398700000000, -0.0000119400000000, -0.0000579900000000 ] - [ -0.0003228100000000, -0.0000203600000000, -0.0007663500000000 ] - [ 0.0000000000000000, 0.0000845300000000, 0.0002695900000000 ] - [ -0.0002723600000000, 0.0003193200000000, -0.0011330600000000 ] - [ -0.0000941400000000, -0.0000118500000000, 0.0001578300000000 ] - [ 0.0000686700000000, 0.0000304800000000, 0.0006914800000000 ] - [ 0.0002019000000000, 0.0000977800000000, 0.0002546400000000 ] - [ 0.0001715900000000, -0.0002356600000000, -0.0000852400000000 ] - [ -0.0001715900000000, -0.0002356600000000, -0.0000852400000000 ] - [ -0.0000580400000000, 0.0000304100000000, -0.0000712700000000 ] - [ 0.0000580400000000, 0.0000304100000000, -0.0000712700000000 ] - [ 0.0002723600000000, 0.0003193200000000, -0.0011330600000000 ] - [ 0.0000000000000000, -0.0000989800000000, 0.0001266300000000 ] - [ 0.0000000000000000, -0.0000291200000000, 0.0002211700000000 ] - [ -0.0002019000000000, 0.0000977800000000, 0.0002546400000000 ] - [ 0.0001602100000000, 0.0001820400000000, -0.0001728200000000 ] - [ 0.0003228100000000, -0.0000203600000000, -0.0007663500000000 ] - [ -0.0003412200000000, -0.0001047700000000, 0.0001744400000000 ] - [ 0.0003905600000000, 0.0000180700000000, 0.0006008200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018011600000000, -0.0005954700000000, 0.0018631500000000 ] - [ 0.0171028000000000, 0.0050928400000000, 0.0083668200000000 ] - [ 0.0022202000000000, -0.0000882700000000, -0.0013101500000000 ] - [ -0.0051687800000000, -0.0006237800000000, 0.0041047100000000 ] - [ -0.0052122800000000, 0.0006056600000000, -0.0040862800000000 ] - [ 0.0027641100000000, -0.0145051500000000, -0.0161026100000000 ] - [ 0.0041522800000000, -0.0003662100000000, 0.0014610300000000 ] - [ 0.0027219400000000, 0.0143708900000000, 0.0160664400000000 ] - [ -0.0297927900000000, -0.0000584300000000, 0.0001415500000000 ] - [ -0.0079185000000000, 0.0000883000000000, 0.0001941100000000 ] - [ -0.0020585100000000, 0.0005291700000000, -0.0016562100000000 ] - [ 0.0172571500000000, -0.0050400000000000, -0.0080249300000000 ] - [ 0.0036164900000000, -0.0001162900000000, 0.0003189400000000 ] - [ 0.0024319700000000, 0.0000300000000000, 0.0003130700000000 ] - [ 0.0041649400000000, 0.0003739400000000, -0.0018140900000000 ] - [ 0.0033829500000000, 0.0003114000000000, -0.0002661300000000 ] - [ 0.0033238600000000, -0.0003267500000000, 0.0003004900000000 ] - [ 0.0030778500000000, -0.0002919200000000, -0.0005105700000000 ] - [ 0.0022109200000000, 0.0000879100000000, 0.0009509700000000 ] - [ 0.0030161400000000, 0.0003068300000000, 0.0005440600000000 ] - [ 0.0031142700000000, -0.0000853700000000, 0.0001815200000000 ] - [ 0.0032757400000000, 0.0000858000000000, 0.0001869700000000 ] - [ 0.0033726800000000, 0.0000477600000000, -0.0000841900000000 ] - [ 0.0026722800000000, 0.0000340100000000, -0.0000925700000000 ] - [ -0.4119229800000000, 0.0047900000000000, -0.0055431300000000 ] - [ 0.0014527300000000, -0.0001566700000000, 0.0092189900000000 ] - [ 0.0009702900000000, 0.0015235900000000, -0.0039848200000000 ] - [ 0.0008539500000000, -0.0016119800000000, 0.0039364900000000 ] - [ 0.0013589700000000, 0.0002472200000000, -0.0093303000000000 ] - [ 0.0029023900000000, -0.0005365000000000, -0.0014213300000000 ] - [ 0.0054602800000000, -0.0009438800000000, 0.0021825900000000 ] - [ -0.0062641500000000, 0.0001049400000000, -0.0001601600000000 ] - [ 0.0034526800000000, -0.0001036900000000, -0.0001501200000000 ] - [ 0.0038660700000000, 0.0000656200000000, 0.0008328800000000 ] - [ 0.0034221000000000, -0.0001848400000000, -0.0004777800000000 ] - [ 0.0033365700000000, 0.0000917000000000, 0.0004364700000000 ] - [ 0.0037835800000000, 0.0000246400000000, -0.0008702700000000 ] - [ 0.0054673100000000, 0.0009414100000000, -0.0025957900000000 ] - [ 0.0029005400000000, 0.0005320100000000, 0.0009685800000000 ] - [ 0.0038092600000000, 0.0001030000000000, -0.0001490100000000 ] - [ 0.0003690900000000, -0.0007384200000000, 0.0017813100000000 ] - [ -0.0008241400000000, 0.0003736800000000, -0.0038367900000000 ] - [ -0.0004264700000000, 0.0006458500000000, 0.0035908700000000 ] - [ 0.0480143500000000, 0.0002822000000000, 0.0008132800000000 ] - [ 0.0005873000000000, 0.0010617600000000, -0.0019683500000000 ] - [ -0.0015468400000000, 0.0007584000000000, 0.0016951800000000 ] - [ -0.0051295000000000, 0.0021523100000000, -0.0006176100000000 ] - [ 0.0047275900000000, -0.0003801700000000, -0.0004582900000000 ] - [ 0.1576394800000000, -0.0560151600000000, 0.0672908600000000 ] - [ 0.0049562200000000, 0.0003781300000000, 0.0005173800000000 ] - [ -0.0019513400000000, -0.0000227600000000, 0.0027132800000000 ] - [ 0.0503471100000000, -0.0005907600000000, 0.0002264300000000 ] - [ -0.0006345600000000, 0.0000994800000000, -0.0005269600000000 ] - [ 0.1507805700000000, 0.0517701400000000, -0.0624312000000000 ] - [ -0.0017805700000000, -0.0006999800000000, -0.0016314300000000 ] - [ 0.0033184200000000, -0.0015272600000000, -0.0046833900000000 ] - [ -0.0041683200000000, 0.0017885700000000, -0.0052055400000000 ] - [ -0.0039941800000000, -0.0021367700000000, 0.0050366800000000 ] - [ 0.0034232400000000, 0.0007146500000000, 0.0050434900000000 ] - [ 0.0031956100000000, -0.0007980400000000, -0.0048335800000000 ] - [ -0.0008221100000000, 0.0001060600000000, 0.0001020500000000 ] - [ 0.0042318200000000, -0.0001080600000000, 0.0001968500000000 ] - [ 0.0059899400000000, -0.0000640900000000, 0.0002726100000000 ] - [ 0.0030943500000000, 0.0015831200000000, 0.0048807200000000 ] - [ -0.0006505600000000, -0.0003933900000000, -0.0035684500000000 ] - [ -0.0017015400000000, -0.0000337200000000, -0.0026154500000000 ] - [ -0.0010624900000000, -0.0006125900000000, 0.0038398900000000 ] - [ -0.0049385600000000, -0.0023503400000000, 0.0001623900000000 ] - [ -0.0024466100000000, 0.0000564500000000, 0.0003215000000000 ] - [ -0.0018706000000000, -0.0001139600000000, -0.0001561200000000 ] - [ -0.0018706000000000, -0.0000254100000000, 0.0004835600000000 ] - [ -0.0022040600000000, 0.0000655000000000, 0.0002584000000000 ] - [ -0.0022363100000000, 0.0002666200000000, -0.0005219000000000 ] - [ -0.0020497800000000, 0.0000032500000000, -0.0000825000000000 ] - [ -0.0017699100000000, 0.0003752700000000, -0.0003690100000000 ] - [ -0.0031953300000000, 0.0000585700000000, 0.0003758200000000 ] - [ -0.0026045000000000, 0.0000775400000000, -0.0002794200000000 ] - [ -0.0029765600000000, -0.0000599600000000, -0.0003255100000000 ] - [ -0.0033395200000000, 0.0001323500000000, 0.0018238400000000 ] - [ -0.0020303800000000, 0.0001089600000000, 0.0001950000000000 ] - [ -0.0030728000000000, 0.0011868500000000, -0.0005361400000000 ] - [ -0.0028200400000000, -0.0000772200000000, 0.0003341900000000 ] - [ -0.0022978800000000, 0.0000588600000000, 0.0001672600000000 ] - [ -0.0025087400000000, -0.0001086700000000, -0.0004218200000000 ] - [ -0.0019404900000000, -0.0002612800000000, -0.0004244400000000 ] - [ -0.0017331700000000, -0.0000614500000000, 0.0002287900000000 ] - [ -0.0026730500000000, 0.0000396200000000, -0.0000449400000000 ] - [ -0.0028689700000000, -0.0001192700000000, 0.0002301900000000 ] - [ -0.0032641500000000, -0.0009847200000000, 0.0000877100000000 ] - [ -0.0021813500000000, -0.0001079200000000, 0.0001912000000000 ] - [ -0.0023063800000000, -0.0000643400000000, 0.0002566900000000 ] - [ -0.0027095900000000, 0.0001916500000000, 0.0006163800000000 ] - [ -0.0020893900000000, 0.0002700100000000, -0.0004848200000000 ] - [ -0.0030912000000000, -0.0001898400000000, -0.0017514300000000 ] - [ -0.0020917000000000, -0.0001349500000000, 0.0001588700000000 ] - [ -0.0015769500000000, -0.0005787900000000, -0.0000569700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003199700000000, 0.0005165300000000, -0.0003401700000000 ] - [ 0.0007151300000000, -0.0049884600000000, 0.0010857600000000 ] - [ 0.0001120300000000, -0.0000854800000000, -0.0005675100000000 ] - [ -0.0001232000000000, -0.0007098900000000, -0.0001888600000000 ] - [ 0.0001232000000000, -0.0007098900000000, -0.0001888600000000 ] - [ -0.0037152000000000, 0.0313253800000000, 0.0016657600000000 ] - [ -0.0003594300000000, 0.0003976900000000, 0.0002400700000000 ] - [ 0.0037152000000000, 0.0313253800000000, 0.0016657600000000 ] - [ 0.0000000000000000, 0.0251280500000000, -0.0000758900000000 ] - [ 0.0000000000000000, -0.0047986900000000, -0.0000659800000000 ] - [ -0.0003199700000000, 0.0005165300000000, -0.0003401700000000 ] - [ -0.0007151300000000, -0.0049884600000000, 0.0010857600000000 ] - [ -0.0000096200000000, -0.0000472400000000, 0.0001757400000000 ] - [ -0.0002154000000000, 0.0000520300000000, 0.0000506900000000 ] - [ 0.0003594300000000, 0.0003976900000000, 0.0002400700000000 ] - [ 0.0000166000000000, -0.0000099200000000, 0.0000821400000000 ] - [ -0.0000166000000000, -0.0000099200000000, 0.0000821400000000 ] - [ 0.0000384600000000, -0.0000013500000000, -0.0000456400000000 ] - [ -0.0001120300000000, -0.0000854800000000, -0.0005675100000000 ] - [ -0.0000384600000000, -0.0000013500000000, -0.0000456400000000 ] - [ 0.0000000000000000, -0.0000801700000000, 0.0001675500000000 ] - [ 0.0000000000000000, 0.0000930900000000, 0.0002019300000000 ] - [ 0.0000096200000000, -0.0000472400000000, 0.0001757400000000 ] - [ 0.0002154000000000, 0.0000520300000000, 0.0000506900000000 ] - [ 0.0000000000000000, -0.4905430700000000, 0.0009925800000000 ] - [ -0.0005727700000000, -0.0022322600000000, -0.0003918700000000 ] - [ -0.0014698300000000, 0.0015305900000000, -0.0002547600000000 ] - [ 0.0014698300000000, 0.0015305900000000, -0.0002547600000000 ] - [ 0.0005727700000000, -0.0022322600000000, -0.0003918700000000 ] - [ 0.0004110100000000, -0.0003281600000000, -0.0005943100000000 ] - [ -0.0005219300000000, 0.0003028800000000, -0.0002373800000000 ] - [ 0.0000000000000000, 0.0000738200000000, 0.0003341100000000 ] - [ 0.0000000000000000, -0.0000921900000000, -0.0002091500000000 ] - [ -0.0001194600000000, 0.0000768700000000, -0.0001815900000000 ] - [ 0.0001954900000000, -0.0000744000000000, 0.0001073700000000 ] - [ -0.0001954900000000, -0.0000744000000000, 0.0001073700000000 ] - [ 0.0001194600000000, 0.0000768700000000, -0.0001815900000000 ] - [ 0.0005219300000000, 0.0003028800000000, -0.0002373800000000 ] - [ -0.0004110100000000, -0.0003281600000000, -0.0005943100000000 ] - [ 0.0000000000000000, 0.0001174200000000, -0.0000902900000000 ] - [ 0.0003297100000000, 0.0000137700000000, -0.0002956000000000 ] - [ 0.0003957800000000, -0.0007202000000000, 0.0008419000000000 ] - [ 0.0001248600000000, -0.0005380600000000, 0.0003830300000000 ] - [ 0.0000000000000000, 0.0602787300000000, 0.0578348400000000 ] - [ -0.0003297100000000, 0.0000137700000000, -0.0002956000000000 ] - [ 0.0002344000000000, 0.0004597600000000, 0.0005985900000000 ] - [ 0.0007418500000000, -0.0008154900000000, -0.0005542700000000 ] - [ -0.0005326000000000, -0.0002433200000000, -0.0005144600000000 ] - [ -0.0536471900000000, 0.0619407200000000, -0.0320906800000000 ] - [ 0.0005326000000000, -0.0002433200000000, -0.0005144600000000 ] - [ -0.0009283100000000, -0.0000507600000000, 0.0005972300000000 ] - [ 0.0000000000000000, 0.2348960800000000, 0.0020438200000000 ] - [ 0.0001793600000000, 0.0001392600000000, 0.0000516800000000 ] - [ 0.0536471900000000, 0.0619407200000000, -0.0320906800000000 ] - [ -0.0002344000000000, 0.0004597600000000, 0.0005985900000000 ] - [ -0.0020873200000000, -0.0002467400000000, -0.0021345800000000 ] - [ 0.0021156500000000, 0.0007470200000000, 0.0001092800000000 ] - [ -0.0021156500000000, 0.0007470200000000, 0.0001092800000000 ] - [ -0.0011382600000000, 0.0014107400000000, 0.0022447700000000 ] - [ 0.0011382600000000, 0.0014107400000000, 0.0022447700000000 ] - [ -0.0001793600000000, 0.0001392600000000, 0.0000516800000000 ] - [ 0.0000000000000000, 0.0003057000000000, -0.0005644000000000 ] - [ 0.0000000000000000, -0.0008651100000000, -0.0007618900000000 ] - [ 0.0020873200000000, -0.0002467400000000, -0.0021345800000000 ] - [ -0.0001248600000000, -0.0005380600000000, 0.0003830300000000 ] - [ 0.0009283100000000, -0.0000507600000000, 0.0005972300000000 ] - [ -0.0003957800000000, -0.0007202000000000, 0.0008419000000000 ] - [ -0.0007418500000000, -0.0008154900000000, -0.0005542700000000 ] - [ -0.0001195300000000, 0.0001694000000000, -0.0002329600000000 ] - [ 0.0002016500000000, -0.0001264400000000, -0.0000490000000000 ] - [ 0.0000530100000000, 0.0001022200000000, 0.0000578700000000 ] - [ 0.0000000000000000, 0.0000663500000000, 0.0002939100000000 ] - [ 0.0001195300000000, 0.0001694000000000, -0.0002329600000000 ] - [ -0.0000326700000000, 0.0000906800000000, 0.0000172400000000 ] - [ 0.0000527300000000, -0.0000974900000000, -0.0000286900000000 ] - [ -0.0000854100000000, 0.0000047800000000, -0.0000135000000000 ] - [ 0.0001338600000000, -0.0000000300000000, 0.0000653300000000 ] - [ 0.0000854100000000, 0.0000047800000000, -0.0000135000000000 ] - [ -0.0003888900000000, -0.0000346800000000, 0.0001756600000000 ] - [ 0.0000000000000000, 0.0001064700000000, 0.0002228300000000 ] - [ 0.0002514200000000, -0.0000506500000000, -0.0004073000000000 ] - [ -0.0001338600000000, -0.0000000300000000, 0.0000653300000000 ] - [ 0.0000326700000000, 0.0000906800000000, 0.0000172400000000 ] - [ 0.0001512400000000, 0.0000519100000000, 0.0000759400000000 ] - [ -0.0000875100000000, -0.0001495200000000, 0.0000254300000000 ] - [ 0.0000875100000000, -0.0001495200000000, 0.0000254300000000 ] - [ 0.0000360000000000, -0.0000355700000000, 0.0001206700000000 ] - [ -0.0000360000000000, -0.0000355700000000, 0.0001206700000000 ] - [ -0.0002514200000000, -0.0000506500000000, -0.0004073000000000 ] - [ 0.0000000000000000, -0.0001196700000000, 0.0001620400000000 ] - [ 0.0000000000000000, -0.0000589800000000, 0.0002159900000000 ] - [ -0.0001512400000000, 0.0000519100000000, 0.0000759400000000 ] - [ -0.0000530100000000, 0.0001022200000000, 0.0000578700000000 ] - [ 0.0003888900000000, -0.0000346800000000, 0.0001756600000000 ] - [ -0.0002016500000000, -0.0001264400000000, -0.0000490000000000 ] - [ -0.0000527300000000, -0.0000974900000000, -0.0000286900000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000879000000000, -0.0005708600000000, 0.0005612100000000 ] - [ -0.0009468000000000, 0.0050254100000000, -0.0008638800000000 ] - [ -0.0001119400000000, 0.0000847900000000, 0.0002098900000000 ] - [ 0.0001876900000000, 0.0006890200000000, 0.0002180900000000 ] - [ -0.0001876900000000, 0.0006890200000000, 0.0002180900000000 ] - [ 0.0041010200000000, -0.0313631500000000, -0.0018061500000000 ] - [ 0.0003592500000000, -0.0003949400000000, -0.0005930800000000 ] - [ -0.0041010200000000, -0.0313631500000000, -0.0018061500000000 ] - [ 0.0000000000000000, -0.0253089900000000, 0.0007369600000000 ] - [ 0.0000000000000000, 0.0049491500000000, 0.0004344200000000 ] - [ 0.0000879000000000, -0.0005708600000000, 0.0005612100000000 ] - [ 0.0009468000000000, 0.0050254100000000, -0.0008638800000000 ] - [ 0.0002391200000000, -0.0000114400000000, 0.0000504200000000 ] - [ -0.0000145200000000, 0.0000054600000000, 0.0001706800000000 ] - [ -0.0003592500000000, -0.0003949400000000, -0.0005930800000000 ] - [ 0.0000515800000000, -0.0000055000000000, -0.0000503700000000 ] - [ -0.0000515800000000, -0.0000055000000000, -0.0000503700000000 ] - [ 0.0000295500000000, 0.0000162000000000, 0.0000770000000000 ] - [ 0.0001119400000000, 0.0000847900000000, 0.0002098900000000 ] - [ -0.0000295500000000, 0.0000162000000000, 0.0000770000000000 ] - [ 0.0000000000000000, -0.0000865200000000, 0.0002016200000000 ] - [ 0.0000000000000000, 0.0000742700000000, 0.0001712600000000 ] - [ -0.0002391200000000, -0.0000114400000000, 0.0000504200000000 ] - [ 0.0000145200000000, 0.0000054600000000, 0.0001706800000000 ] - [ 0.0000000000000000, 0.4732142500000000, -0.0013192200000000 ] - [ 0.0006491600000000, 0.0023082400000000, 0.0003490500000000 ] - [ 0.0015240100000000, -0.0016097100000000, 0.0002053400000000 ] - [ -0.0015240100000000, -0.0016097100000000, 0.0002053400000000 ] - [ -0.0006491600000000, 0.0023082400000000, 0.0003490500000000 ] - [ -0.0004100100000000, 0.0003252600000000, 0.0001917500000000 ] - [ 0.0005183500000000, -0.0003003500000000, -0.0001597700000000 ] - [ 0.0000000000000000, 0.0001163000000000, -0.0006446700000000 ] - [ 0.0000000000000000, -0.0000956200000000, -0.0001030400000000 ] - [ 0.0001855500000000, 0.0000143700000000, 0.0001333000000000 ] - [ -0.0001279500000000, -0.0000185300000000, -0.0001564900000000 ] - [ 0.0001279500000000, -0.0000185300000000, -0.0001564900000000 ] - [ -0.0001855500000000, 0.0000143700000000, 0.0001333000000000 ] - [ -0.0005183500000000, -0.0003003500000000, -0.0001597700000000 ] - [ 0.0004100100000000, 0.0003252600000000, 0.0001917500000000 ] - [ 0.0000000000000000, 0.0000676600000000, -0.0002223200000000 ] - [ -0.0005446100000000, 0.0003052300000000, 0.0000979200000000 ] - [ -0.0001677200000000, 0.0004575300000000, -0.0008413800000000 ] - [ 0.0001038100000000, 0.0007956900000000, -0.0003872900000000 ] - [ 0.0000000000000000, -0.0601917500000000, -0.0589953800000000 ] - [ 0.0005446100000000, 0.0003052300000000, 0.0000979200000000 ] - [ -0.0000113700000000, -0.0003624500000000, -0.0005173100000000 ] - [ -0.0009358100000000, 0.0006160900000000, 0.0001179200000000 ] - [ 0.0003066700000000, 0.0002452100000000, 0.0005838900000000 ] - [ 0.0552170400000000, -0.0618472500000000, 0.0329708600000000 ] - [ -0.0003066700000000, 0.0002452100000000, 0.0005838900000000 ] - [ 0.0007029200000000, -0.0000411000000000, -0.0005139900000000 ] - [ 0.0000000000000000, -0.2175583500000000, -0.0015526900000000 ] - [ 0.0000202100000000, 0.0000571400000000, -0.0004828100000000 ] - [ -0.0552170400000000, -0.0618472500000000, 0.0329708600000000 ] - [ 0.0000113700000000, -0.0003624500000000, -0.0005173100000000 ] - [ 0.0022451100000000, 0.0003231700000000, 0.0023021600000000 ] - [ -0.0023205100000000, -0.0010523900000000, -0.0003013200000000 ] - [ 0.0023205100000000, -0.0010523900000000, -0.0003013200000000 ] - [ 0.0013050900000000, -0.0014761700000000, -0.0020462300000000 ] - [ -0.0013050900000000, -0.0014761700000000, -0.0020462300000000 ] - [ -0.0000202100000000, 0.0000571400000000, -0.0004828100000000 ] - [ 0.0000000000000000, -0.0005083000000000, 0.0009500300000000 ] - [ 0.0000000000000000, 0.0007363700000000, 0.0012411400000000 ] - [ -0.0022451100000000, 0.0003231700000000, 0.0023021600000000 ] - [ -0.0001038100000000, 0.0007956900000000, -0.0003872900000000 ] - [ -0.0007029200000000, -0.0000411000000000, -0.0005139900000000 ] - [ 0.0001677200000000, 0.0004575300000000, -0.0008413800000000 ] - [ 0.0009358100000000, 0.0006160900000000, 0.0001179200000000 ] - [ -0.0000996800000000, 0.0001513100000000, 0.0000361900000000 ] - [ 0.0000247200000000, -0.0001342100000000, 0.0000440500000000 ] - [ 0.0001730800000000, 0.0001570900000000, -0.0000638200000000 ] - [ 0.0000000000000000, 0.0000575400000000, 0.0001893000000000 ] - [ 0.0000996800000000, 0.0001513100000000, 0.0000361900000000 ] - [ 0.0002550600000000, 0.0000046200000000, 0.0000633000000000 ] - [ -0.0002502300000000, -0.0001010100000000, -0.0003998900000000 ] - [ -0.0001399400000000, -0.0000026400000000, 0.0000883600000000 ] - [ 0.0000908100000000, -0.0000027000000000, 0.0000111500000000 ] - [ 0.0001399400000000, -0.0000026400000000, 0.0000883600000000 ] - [ 0.0001673500000000, -0.0000592000000000, -0.0000970900000000 ] - [ 0.0000000000000000, 0.0000996900000000, 0.0001679200000000 ] - [ -0.0000526300000000, 0.0002480500000000, -0.0000279100000000 ] - [ -0.0000908100000000, -0.0000027000000000, 0.0000111500000000 ] - [ -0.0002550600000000, 0.0000046200000000, 0.0000633000000000 ] - [ 0.0000285100000000, 0.0000273200000000, 0.0001110100000000 ] - [ -0.0001315000000000, -0.0001703000000000, -0.0002203200000000 ] - [ 0.0001315000000000, -0.0001703000000000, -0.0002203200000000 ] - [ 0.0001418500000000, -0.0000419100000000, 0.0000629600000000 ] - [ -0.0001418500000000, -0.0000419100000000, 0.0000629600000000 ] - [ 0.0000526300000000, 0.0002480500000000, -0.0000279100000000 ] - [ 0.0000000000000000, -0.0000849400000000, 0.0002269900000000 ] - [ 0.0000000000000000, -0.0000635400000000, 0.0002629000000000 ] - [ -0.0000285100000000, 0.0000273200000000, 0.0001110100000000 ] - [ -0.0001730800000000, 0.0001570900000000, -0.0000638200000000 ] - [ -0.0001673500000000, -0.0000592000000000, -0.0000970900000000 ] - [ -0.0000247200000000, -0.0001342100000000, 0.0000440500000000 ] - [ 0.0002502300000000, -0.0001010100000000, -0.0003998900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0031333500000000, -0.0003061400000000, 0.0039450500000000 ] - [ 0.0111087400000000, 0.0033997700000000, 0.0001925600000000 ] - [ -0.0007713600000000, -0.0000420600000000, 0.0016053400000000 ] - [ -0.0004381000000000, -0.0004441100000000, 0.0062507200000000 ] - [ 0.0004381000000000, -0.0004441100000000, 0.0062507200000000 ] - [ -0.0167288700000000, 0.0082850500000000, -0.0155658000000000 ] - [ 0.0012512900000000, -0.0001441900000000, -0.0025051000000000 ] - [ 0.0167288700000000, 0.0082850500000000, -0.0155658000000000 ] - [ 0.0000000000000000, -0.0126621600000000, 0.0157734900000000 ] - [ 0.0000000000000000, -0.0055607000000000, 0.0237904100000000 ] - [ -0.0031333500000000, -0.0003061400000000, 0.0039450500000000 ] - [ -0.0111087400000000, 0.0033997700000000, 0.0001925600000000 ] - [ 0.0006412600000000, -0.0000290000000000, -0.0001509300000000 ] - [ 0.0003360900000000, 0.0000106400000000, 0.0004228900000000 ] - [ -0.0012512900000000, -0.0001441900000000, -0.0025051000000000 ] - [ 0.0000856000000000, 0.0000116500000000, -0.0002804700000000 ] - [ -0.0000856000000000, 0.0000116500000000, -0.0002804700000000 ] - [ -0.0000234500000000, 0.0000332700000000, 0.0002989800000000 ] - [ 0.0007713600000000, -0.0000420600000000, 0.0016053400000000 ] - [ 0.0000234500000000, 0.0000332700000000, 0.0002989800000000 ] - [ 0.0000000000000000, -0.0001160700000000, 0.0002608300000000 ] - [ 0.0000000000000000, 0.0000558200000000, 0.0001160100000000 ] - [ -0.0006412600000000, -0.0000290000000000, -0.0001509300000000 ] - [ -0.0003360900000000, 0.0000106400000000, 0.0004228900000000 ] - [ 0.0000000000000000, 0.0058344500000000, -0.3863094600000000 ] - [ 0.0098489600000000, -0.0007347500000000, -0.0042081900000000 ] - [ -0.0038314000000000, 0.0001163500000000, 0.0045219100000000 ] - [ 0.0038314000000000, 0.0001163500000000, 0.0045219100000000 ] - [ -0.0098489600000000, -0.0007347500000000, -0.0042081900000000 ] - [ -0.0020289300000000, 0.0004069500000000, 0.0014528100000000 ] - [ 0.0023057100000000, -0.0003076500000000, -0.0007365700000000 ] - [ 0.0000000000000000, -0.0003775100000000, 0.0088815900000000 ] - [ 0.0000000000000000, -0.0001648900000000, 0.0001173100000000 ] - [ 0.0007439600000000, 0.0000019200000000, 0.0006640500000000 ] - [ -0.0007065100000000, -0.0000441600000000, -0.0007375000000000 ] - [ 0.0007065100000000, -0.0000441600000000, -0.0007375000000000 ] - [ -0.0007439600000000, 0.0000019200000000, 0.0006640500000000 ] - [ -0.0023057100000000, -0.0003076500000000, -0.0007365700000000 ] - [ 0.0020289300000000, 0.0004069500000000, 0.0014528100000000 ] - [ 0.0000000000000000, 0.0000455500000000, -0.0004200300000000 ] - [ 0.0004345700000000, 0.0003298400000000, -0.0038138300000000 ] - [ -0.0013399500000000, -0.0002751100000000, -0.0023703400000000 ] - [ 0.0046609300000000, -0.0004365900000000, 0.0013817300000000 ] - [ 0.0000000000000000, 0.0547784200000000, 0.1711020600000000 ] - [ -0.0004345700000000, 0.0003298400000000, -0.0038138300000000 ] - [ 0.0022231900000000, -0.0006075700000000, -0.0004710600000000 ] - [ -0.0028623600000000, 0.0012904600000000, 0.0013043500000000 ] - [ -0.0008935400000000, -0.0009156000000000, -0.0061599900000000 ] - [ 0.0637162400000000, -0.0316240900000000, 0.0833370800000000 ] - [ 0.0008935400000000, -0.0009156000000000, -0.0061599900000000 ] - [ 0.0028945200000000, 0.0000328300000000, -0.0005483000000000 ] - [ 0.0000000000000000, -0.0010536700000000, 0.0481347700000000 ] - [ -0.0009502000000000, 0.0005953500000000, -0.0017858500000000 ] - [ -0.0637162400000000, -0.0316240900000000, 0.0833370800000000 ] - [ -0.0022231900000000, -0.0006075700000000, -0.0004710600000000 ] - [ -0.0040664500000000, -0.0008116400000000, -0.0044695800000000 ] - [ -0.0023653300000000, -0.0020668700000000, 0.0054584900000000 ] - [ 0.0023653300000000, -0.0020668700000000, 0.0054584900000000 ] - [ 0.0080752700000000, 0.0026750500000000, -0.0009764900000000 ] - [ -0.0080752700000000, 0.0026750500000000, -0.0009764900000000 ] - [ 0.0009502000000000, 0.0005953500000000, -0.0017858500000000 ] - [ 0.0000000000000000, 0.0007590700000000, -0.0053432200000000 ] - [ 0.0000000000000000, 0.0011670300000000, -0.0080037600000000 ] - [ 0.0040664500000000, -0.0008116400000000, -0.0044695800000000 ] - [ -0.0046609300000000, -0.0004365900000000, 0.0013817300000000 ] - [ -0.0028945200000000, 0.0000328300000000, -0.0005483000000000 ] - [ 0.0013399500000000, -0.0002751100000000, -0.0023703400000000 ] - [ 0.0028623600000000, 0.0012904600000000, 0.0013043500000000 ] - [ -0.0000507200000000, 0.0001172400000000, 0.0005014100000000 ] - [ -0.0002678900000000, -0.0000791600000000, 0.0002557300000000 ] - [ 0.0004305800000000, 0.0001856900000000, -0.0002556300000000 ] - [ 0.0000000000000000, 0.0000501100000000, 0.0000898300000000 ] - [ 0.0000507200000000, 0.0001172400000000, 0.0005014100000000 ] - [ 0.0011768500000000, -0.0001156100000000, 0.0001862800000000 ] - [ -0.0006479300000000, 0.0000573500000000, -0.0010682500000000 ] - [ -0.0002203900000000, -0.0000119300000000, 0.0002029000000000 ] - [ -0.0000015200000000, -0.0000078700000000, -0.0001509700000000 ] - [ 0.0002203900000000, -0.0000119300000000, 0.0002029000000000 ] - [ 0.0008996200000000, -0.0001443600000000, -0.0004094700000000 ] - [ 0.0000000000000000, 0.0001460000000000, 0.0000572100000000 ] - [ -0.0006021700000000, 0.0005078400000000, 0.0006328500000000 ] - [ 0.0000015200000000, -0.0000078700000000, -0.0001509700000000 ] - [ -0.0011768500000000, -0.0001156100000000, 0.0001862800000000 ] - [ -0.0001742000000000, -0.0000028100000000, 0.0002099700000000 ] - [ -0.0001705900000000, -0.0002070400000000, -0.0006517000000000 ] - [ 0.0001705900000000, -0.0002070400000000, -0.0006517000000000 ] - [ 0.0003664000000000, -0.0000714200000000, -0.0000143100000000 ] - [ -0.0003664000000000, -0.0000714200000000, -0.0000143100000000 ] - [ 0.0006021700000000, 0.0005078400000000, 0.0006328500000000 ] - [ 0.0000000000000000, -0.0000792200000000, 0.0003319000000000 ] - [ 0.0000000000000000, -0.0000773400000000, 0.0004315700000000 ] - [ 0.0001742000000000, -0.0000028100000000, 0.0002099700000000 ] - [ -0.0004305800000000, 0.0001856900000000, -0.0002556300000000 ] - [ -0.0008996200000000, -0.0001443600000000, -0.0004094700000000 ] - [ 0.0002678900000000, -0.0000791600000000, 0.0002557300000000 ] - [ 0.0006479300000000, 0.0000573500000000, -0.0010682500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0028969200000000, 0.0002468600000000, -0.0037152900000000 ] - [ -0.0113289600000000, -0.0033385400000000, -0.0000112000000000 ] - [ 0.0007654900000000, 0.0000419400000000, -0.0019581400000000 ] - [ 0.0005148500000000, 0.0004312400000000, -0.0062038100000000 ] - [ -0.0005148500000000, 0.0004312400000000, -0.0062038100000000 ] - [ 0.0167570700000000, -0.0082462500000000, 0.0156925500000000 ] - [ -0.0012451600000000, 0.0001448200000000, 0.0021630800000000 ] - [ -0.0167570700000000, -0.0082462500000000, 0.0156925500000000 ] - [ 0.0000000000000000, 0.0123130800000000, -0.0153132200000000 ] - [ 0.0000000000000000, 0.0057137400000000, -0.0235558500000000 ] - [ 0.0028969200000000, 0.0002468600000000, -0.0037152900000000 ] - [ 0.0113289600000000, -0.0033385400000000, -0.0000112000000000 ] - [ -0.0004019900000000, -0.0000358300000000, 0.0003805100000000 ] - [ -0.0005767900000000, 0.0000514900000000, -0.0001985400000000 ] - [ 0.0012451600000000, 0.0001448200000000, 0.0021630800000000 ] - [ -0.0000244400000000, -0.0000263700000000, 0.0003149200000000 ] - [ 0.0000244400000000, -0.0000263700000000, 0.0003149200000000 ] - [ 0.0000838900000000, -0.0000181800000000, -0.0002665400000000 ] - [ -0.0007654900000000, 0.0000419400000000, -0.0019581400000000 ] - [ -0.0000838900000000, -0.0000181800000000, -0.0002665400000000 ] - [ 0.0000000000000000, -0.0000545400000000, 0.0001061500000000 ] - [ 0.0000000000000000, 0.0001155600000000, 0.0002572300000000 ] - [ 0.0004019900000000, -0.0000358300000000, 0.0003805100000000 ] - [ 0.0005767900000000, 0.0000514900000000, -0.0001985400000000 ] - [ 0.0000000000000000, 0.0036331200000000, 0.3959555300000000 ] - [ -0.0097854700000000, 0.0008169600000000, 0.0042143700000000 ] - [ 0.0038921300000000, -0.0002047800000000, -0.0045610700000000 ] - [ -0.0038921300000000, -0.0002047800000000, -0.0045610700000000 ] - [ 0.0097854700000000, 0.0008169600000000, 0.0042143700000000 ] - [ 0.0020325800000000, -0.0004077500000000, -0.0018925800000000 ] - [ -0.0023092800000000, 0.0003149300000000, 0.0002861000000000 ] - [ 0.0000000000000000, 0.0005882600000000, -0.0091473800000000 ] - [ 0.0000000000000000, -0.0000455800000000, -0.0004173600000000 ] - [ -0.0006567400000000, 0.0000888300000000, -0.0007031000000000 ] - [ 0.0007929100000000, -0.0000490800000000, 0.0007026700000000 ] - [ -0.0007929100000000, -0.0000490800000000, 0.0007026700000000 ] - [ 0.0006567400000000, 0.0000888300000000, -0.0007031000000000 ] - [ 0.0023092800000000, 0.0003149300000000, 0.0002861000000000 ] - [ -0.0020325800000000, -0.0004077500000000, -0.0018925800000000 ] - [ 0.0000000000000000, 0.0001617500000000, 0.0001221700000000 ] - [ -0.0006337100000000, -0.0000078800000000, 0.0036141000000000 ] - [ 0.0015464200000000, 0.0000250700000000, 0.0023769800000000 ] - [ -0.0044390800000000, 0.0006898800000000, -0.0013953300000000 ] - [ 0.0000000000000000, -0.0603618100000000, -0.1814098500000000 ] - [ 0.0006337100000000, -0.0000078800000000, 0.0036141000000000 ] - [ -0.0019671700000000, 0.0006676900000000, 0.0005575000000000 ] - [ 0.0026868200000000, -0.0014967100000000, -0.0017391700000000 ] - [ 0.0006828800000000, 0.0009195600000000, 0.0061984300000000 ] - [ -0.0613587500000000, 0.0304487400000000, -0.0828586900000000 ] - [ -0.0006828800000000, 0.0009195600000000, 0.0061984300000000 ] - [ -0.0031462000000000, -0.0000863700000000, 0.0006192200000000 ] - [ 0.0000000000000000, -0.0001376700000000, -0.0478056100000000 ] - [ 0.0011444000000000, -0.0003920700000000, 0.0013502800000000 ] - [ 0.0613587500000000, 0.0304487400000000, -0.0828586900000000 ] - [ 0.0019671700000000, 0.0006676900000000, 0.0005575000000000 ] - [ 0.0042274800000000, 0.0008756400000000, 0.0046607800000000 ] - [ 0.0021435800000000, 0.0017450700000000, -0.0056744500000000 ] - [ -0.0021435800000000, 0.0017450700000000, -0.0056744500000000 ] - [ -0.0079087200000000, -0.0027836000000000, 0.0011695100000000 ] - [ 0.0079087200000000, -0.0027836000000000, 0.0011695100000000 ] - [ -0.0011444000000000, -0.0003920700000000, 0.0013502800000000 ] - [ 0.0000000000000000, -0.0009845000000000, 0.0057230400000000 ] - [ 0.0000000000000000, -0.0012795000000000, 0.0084756800000000 ] - [ -0.0042274800000000, 0.0008756400000000, 0.0046607800000000 ] - [ 0.0044390800000000, 0.0006898800000000, -0.0013953300000000 ] - [ 0.0031462000000000, -0.0000863700000000, 0.0006192200000000 ] - [ -0.0015464200000000, 0.0000250700000000, 0.0023769800000000 ] - [ -0.0026868200000000, -0.0014967100000000, -0.0017391700000000 ] - [ -0.0001556800000000, 0.0002071400000000, -0.0007045200000000 ] - [ 0.0004875900000000, -0.0001717900000000, -0.0002544900000000 ] - [ -0.0002099600000000, 0.0000620400000000, 0.0002569800000000 ] - [ 0.0000000000000000, 0.0000770700000000, 0.0004242100000000 ] - [ 0.0001556800000000, 0.0002071400000000, -0.0007045200000000 ] - [ -0.0009309700000000, 0.0001738900000000, -0.0001090800000000 ] - [ 0.0004594100000000, -0.0002633900000000, 0.0006362400000000 ] - [ 0.0000032100000000, 0.0000114100000000, -0.0001512700000000 ] - [ 0.0002176200000000, 0.0000081800000000, 0.0002053100000000 ] - [ -0.0000032100000000, 0.0000114100000000, -0.0001512700000000 ] - [ -0.0011463100000000, 0.0000892700000000, 0.0004884300000000 ] - [ 0.0000000000000000, 0.0000789900000000, 0.0003322100000000 ] - [ 0.0007964700000000, -0.0003052600000000, -0.0010710800000000 ] - [ -0.0002176200000000, 0.0000081800000000, 0.0002053100000000 ] - [ 0.0009309700000000, 0.0001738900000000, -0.0001090800000000 ] - [ 0.0003766800000000, 0.0000859100000000, -0.0000160100000000 ] - [ -0.0000385500000000, -0.0001162400000000, 0.0004546100000000 ] - [ 0.0000385500000000, -0.0001162400000000, 0.0004546100000000 ] - [ -0.0001665300000000, -0.0000094400000000, 0.0002026900000000 ] - [ 0.0001665300000000, -0.0000094400000000, 0.0002026900000000 ] - [ -0.0007964700000000, -0.0003052600000000, -0.0010710800000000 ] - [ 0.0000000000000000, -0.0001424200000000, 0.0000518500000000 ] - [ 0.0000000000000000, -0.0000495700000000, 0.0000794100000000 ] - [ -0.0003766800000000, 0.0000859100000000, -0.0000160100000000 ] - [ 0.0002099600000000, 0.0000620400000000, 0.0002569800000000 ] - [ 0.0011463100000000, 0.0000892700000000, 0.0004884300000000 ] - [ -0.0004875900000000, -0.0001717900000000, -0.0002544900000000 ] - [ -0.0004594100000000, -0.0002633900000000, 0.0006362400000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0274984900000000, 0.0021838500000000, -0.0035487100000000 ] - [ 0.0024779700000000, -0.0000079700000000, 0.0008169900000000 ] - [ -0.0035775600000000, -0.0001336300000000, 0.0043927800000000 ] - [ 0.0019338900000000, 0.0000260500000000, -0.0012923200000000 ] - [ -0.0067732900000000, 0.0002403200000000, -0.0044553500000000 ] - [ 0.0044393200000000, -0.0005684700000000, 0.0011734800000000 ] - [ 0.0031392600000000, -0.0075457100000000, -0.0133190400000000 ] - [ -0.0042137600000000, 0.0120483300000000, 0.0183661800000000 ] - [ -0.0019203200000000, -0.0006052900000000, 0.0022071700000000 ] - [ 0.0167896700000000, -0.0045982800000000, -0.0082981400000000 ] - [ 0.0031174500000000, 0.0001864100000000, -0.0007727200000000 ] - [ -0.0074157500000000, 0.0005490400000000, -0.0004032500000000 ] - [ 0.0030559900000000, -0.0000866900000000, 0.0000976900000000 ] - [ 0.0049263700000000, -0.0004990800000000, 0.0027341200000000 ] - [ 0.0035456900000000, 0.0001419500000000, 0.0000283400000000 ] - [ 0.0037381100000000, 0.0003541300000000, -0.0019401300000000 ] - [ 0.0033078100000000, -0.0003263900000000, 0.0003394200000000 ] - [ 0.0026239100000000, -0.0000404400000000, 0.0009113400000000 ] - [ 0.0029775000000000, -0.0000900300000000, -0.0003626400000000 ] - [ 0.0030475000000000, 0.0003038500000000, 0.0005167200000000 ] - [ 0.0038773400000000, -0.0001660400000000, 0.0004924300000000 ] - [ 0.0025466600000000, 0.0000016700000000, -0.0000811900000000 ] - [ 0.0005274300000000, -0.0002552900000000, -0.0014032800000000 ] - [ 0.0032094400000000, 0.0000820700000000, 0.0000775900000000 ] - [ 0.0014048900000000, -0.0007188000000000, 0.0097056700000000 ] - [ -0.3691607800000000, -0.0529108000000000, 0.0424902700000000 ] - [ -0.0063864100000000, 0.0004047700000000, -0.0000944700000000 ] - [ 0.0025387100000000, -0.0000238800000000, -0.0005770100000000 ] - [ 0.0050207400000000, -0.0003351500000000, 0.0003618000000000 ] - [ 0.0044585800000000, -0.0003135000000000, -0.0006117300000000 ] - [ 0.0039166300000000, 0.0000559800000000, 0.0001203300000000 ] - [ 0.0008991500000000, 0.0016045200000000, -0.0040082900000000 ] - [ 0.0038261300000000, -0.0002635900000000, 0.0005454200000000 ] - [ 0.0034792100000000, 0.0001280300000000, 0.0002090400000000 ] - [ 0.0038955000000000, -0.0001683200000000, 0.0002141500000000 ] - [ 0.0090341200000000, 0.0007365300000000, -0.0037745500000000 ] - [ 0.0003022100000000, -0.0001652000000000, 0.0020430300000000 ] - [ -0.0042015600000000, 0.0005462900000000, -0.0025561900000000 ] - [ 0.0251178600000000, 0.0204918500000000, 0.0349530500000000 ] - [ 0.0033777100000000, -0.0000504100000000, -0.0009006900000000 ] - [ 0.0056440800000000, 0.0002815700000000, -0.0003155300000000 ] - [ -0.0014126400000000, -0.0000022400000000, 0.0001512000000000 ] - [ -0.0024438300000000, 0.0001777000000000, 0.0001334600000000 ] - [ -0.0048917500000000, 0.0028404700000000, -0.0056590400000000 ] - [ -0.0015789300000000, 0.0002889400000000, 0.0003402200000000 ] - [ 0.0041375600000000, -0.0002282000000000, 0.0017854800000000 ] - [ -0.0023622600000000, 0.0005554000000000, -0.0005041600000000 ] - [ 0.0033607100000000, 0.0017658000000000, 0.0052836300000000 ] - [ -0.0016590900000000, 0.0002925100000000, -0.0027642700000000 ] - [ -0.0017093500000000, 0.0010112100000000, 0.0022857500000000 ] - [ -0.0034728600000000, 0.0001018300000000, 0.0011507300000000 ] - [ -0.0005503500000000, -0.0006473000000000, -0.0041807300000000 ] - [ 0.0071921300000000, -0.0091928200000000, -0.0090328600000000 ] - [ 0.0035828200000000, -0.0007375100000000, -0.0051666900000000 ] - [ -0.0023902600000000, -0.0000811900000000, 0.0006983000000000 ] - [ -0.0013114600000000, -0.0002772600000000, -0.0001659500000000 ] - [ 0.0496378400000000, -0.0102667000000000, -0.0250811200000000 ] - [ -0.0023699600000000, 0.0000371200000000, -0.0007947600000000 ] - [ -0.0046876500000000, -0.0003074900000000, -0.0005315100000000 ] - [ 0.1669270600000000, 0.0669047100000000, -0.0693190100000000 ] - [ -0.0025072600000000, -0.0006291000000000, 0.0000904500000000 ] - [ -0.0008700600000000, -0.0004126300000000, 0.0042138100000000 ] - [ 0.0008446000000000, -0.0009450700000000, 0.0021309800000000 ] - [ 0.0048224500000000, -0.0004786600000000, -0.0004510800000000 ] - [ 0.0498740800000000, 0.0147342100000000, 0.0001680900000000 ] - [ 0.0934913700000000, -0.0291803600000000, 0.0349738800000000 ] - [ 0.0039966900000000, -0.0001042400000000, 0.0001401700000000 ] - [ 0.0039892300000000, 0.0001256600000000, 0.0026912600000000 ] - [ -0.0022495200000000, 0.0001769500000000, -0.0000751500000000 ] - [ -0.0047595300000000, 0.0004453500000000, 0.0015939800000000 ] - [ -0.0001875000000000, 0.0002279700000000, -0.0007841700000000 ] - [ -0.0019815300000000, 0.0000086600000000, -0.0001527600000000 ] - [ -0.0023861000000000, -0.0005288500000000, 0.0027770700000000 ] - [ -0.0027986200000000, 0.0001782000000000, -0.0008024200000000 ] - [ -0.0056696900000000, -0.0010566600000000, -0.0086898500000000 ] - [ -0.0028826000000000, 0.0001405400000000, 0.0005692700000000 ] - [ -0.0034047500000000, -0.0000157000000000, -0.0011077800000000 ] - [ -0.0020889000000000, -0.0001644200000000, 0.0005051900000000 ] - [ 0.0011908800000000, -0.0001373400000000, -0.0002975100000000 ] - [ -0.0020121800000000, 0.0001880500000000, -0.0001862600000000 ] - [ -0.0022256100000000, 0.0007906800000000, -0.0003633200000000 ] - [ -0.0031300800000000, 0.0000026500000000, 0.0001536000000000 ] - [ -0.0077649400000000, -0.0045349000000000, -0.0003086000000000 ] - [ -0.0043012900000000, -0.0003279600000000, 0.0000618300000000 ] - [ -0.0021176300000000, -0.0001544200000000, -0.0000662800000000 ] - [ -0.0007535100000000, -0.0001631000000000, -0.0023491800000000 ] - [ -0.0011043900000000, -0.0001351800000000, -0.0004169600000000 ] - [ -0.0026163200000000, -0.0001725200000000, 0.0003948000000000 ] - [ 0.0013343500000000, 0.0003190900000000, 0.0024040100000000 ] - [ -0.0021828700000000, -0.0000134500000000, 0.0005891500000000 ] - [ -0.0025620900000000, -0.0001208200000000, 0.0006984600000000 ] - [ -0.0029911900000000, 0.0001485900000000, 0.0004462700000000 ] - [ -0.0020289900000000, 0.0002032300000000, -0.0001707900000000 ] - [ -0.0024568700000000, -0.0001304400000000, -0.0008459400000000 ] - [ -0.0022376700000000, -0.0001923100000000, -0.0001771300000000 ] - [ -0.0023186100000000, -0.0008208900000000, -0.0000676000000000 ]- atom: 26 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0277525800000000, -0.0023050900000000, 0.0038685600000000 ] - [ -0.0027076300000000, 0.0000678700000000, -0.0005852500000000 ] - [ 0.0035897900000000, 0.0001391200000000, -0.0047464000000000 ] - [ -0.0018796500000000, -0.0000414400000000, 0.0013300200000000 ] - [ 0.0066968400000000, -0.0002502000000000, 0.0045064300000000 ] - [ -0.0043566200000000, 0.0005722100000000, -0.0011438700000000 ] - [ -0.0031574900000000, 0.0076235300000000, 0.0130206700000000 ] - [ 0.0040430100000000, -0.0119487600000000, -0.0182906300000000 ] - [ 0.0019065200000000, 0.0004362200000000, -0.0018148800000000 ] - [ -0.0167274000000000, 0.0047890700000000, 0.0085691000000000 ] - [ -0.0033551500000000, -0.0002432200000000, 0.0009874900000000 ] - [ 0.0076477100000000, -0.0004922500000000, 0.0006005900000000 ] - [ -0.0028240500000000, 0.0000275300000000, 0.0001301500000000 ] - [ -0.0051490700000000, 0.0005457000000000, -0.0025308500000000 ] - [ -0.0035448400000000, -0.0001410200000000, -0.0003835800000000 ] - [ -0.0036793300000000, -0.0003709100000000, 0.0019802600000000 ] - [ -0.0033773600000000, 0.0003102600000000, -0.0003071300000000 ] - [ -0.0025481700000000, 0.0000562100000000, -0.0008791100000000 ] - [ -0.0029814500000000, 0.0000897300000000, 0.0000064500000000 ] - [ -0.0031149800000000, -0.0002887200000000, -0.0004850100000000 ] - [ -0.0038804400000000, -0.0000000600000000, -0.0001255600000000 ] - [ -0.0025459600000000, 0.0001668400000000, 0.0004579600000000 ] - [ -0.0007537800000000, 0.0001944400000000, 0.0016438700000000 ] - [ -0.0029819000000000, -0.0000246300000000, 0.0001443700000000 ] - [ -0.0014097300000000, 0.0005434100000000, -0.0099391600000000 ] - [ 0.3662392700000000, 0.0443208800000000, -0.0328456100000000 ] - [ 0.0064539500000000, -0.0005014100000000, 0.0000614200000000 ] - [ -0.0026108200000000, -0.0000672300000000, 0.0005309100000000 ] - [ -0.0050857500000000, 0.0004330000000000, -0.0004167600000000 ] - [ -0.0044621400000000, 0.0003117600000000, 0.0002075700000000 ] - [ -0.0039177600000000, -0.0000573200000000, -0.0005127000000000 ] - [ -0.0009269200000000, -0.0014290100000000, 0.0037083300000000 ] - [ -0.0038233300000000, 0.0000808800000000, -0.0008610900000000 ] - [ -0.0034114000000000, -0.0000353200000000, -0.0002584000000000 ] - [ -0.0038307000000000, 0.0000787300000000, -0.0002657600000000 ] - [ -0.0091469900000000, -0.0008281900000000, 0.0037352400000000 ] - [ -0.0003582100000000, 0.0002545200000000, -0.0020906000000000 ] - [ 0.0042311300000000, -0.0005424900000000, 0.0021743700000000 ] - [ -0.0252321000000000, -0.0204279400000000, -0.0356616300000000 ] - [ -0.0033809900000000, 0.0002323000000000, 0.0005905500000000 ] - [ -0.0058732800000000, 0.0000330700000000, 0.0000975500000000 ] - [ 0.0016406100000000, -0.0002564800000000, -0.0001600800000000 ] - [ 0.0026652800000000, 0.0000812400000000, -0.0001331600000000 ] - [ 0.0048429200000000, -0.0026718900000000, 0.0061091200000000 ] - [ 0.0018042500000000, 0.0000319300000000, -0.0005328800000000 ] - [ -0.0039294500000000, 0.0003226000000000, -0.0017151200000000 ] - [ 0.0021601200000000, -0.0007483300000000, 0.0000604800000000 ] - [ -0.0035622000000000, -0.0017388200000000, -0.0052175400000000 ] - [ 0.0018833400000000, -0.0002917300000000, 0.0028200700000000 ] - [ 0.0019491400000000, -0.0010048200000000, -0.0022037900000000 ] - [ 0.0032525700000000, -0.0001928500000000, -0.0010694600000000 ] - [ 0.0005572600000000, 0.0008366900000000, 0.0045497800000000 ] - [ -0.0070255000000000, 0.0094106500000000, 0.0086060500000000 ] - [ -0.0037787100000000, 0.0007409100000000, 0.0052303500000000 ] - [ 0.0021727400000000, 0.0001754400000000, -0.0006262100000000 ] - [ 0.0014901200000000, 0.0003520700000000, 0.0003418000000000 ] - [ -0.0494586000000000, 0.0094927300000000, 0.0237810200000000 ] - [ 0.0025857200000000, -0.0003535500000000, 0.0006017800000000 ] - [ 0.0048631100000000, 0.0002289300000000, 0.0007262800000000 ] - [ -0.1600694500000000, -0.0620724600000000, 0.0646362100000000 ] - [ 0.0023060000000000, 0.0008215300000000, -0.0005263500000000 ] - [ 0.0008911700000000, 0.0002084100000000, -0.0038325700000000 ] - [ -0.0008341000000000, 0.0008217100000000, -0.0016594100000000 ] - [ -0.0049871100000000, 0.0005563900000000, 0.0006276200000000 ] - [ -0.0498772000000000, -0.0130411400000000, -0.0001910900000000 ] - [ -0.0976874400000000, 0.0316328300000000, -0.0383644300000000 ] - [ -0.0042258600000000, -0.0001575400000000, -0.0001470800000000 ] - [ -0.0038170000000000, -0.0003210300000000, -0.0031304200000000 ] - [ 0.0020274900000000, 0.0001426500000000, -0.0001195900000000 ] - [ 0.0049986400000000, -0.0007131800000000, -0.0015950300000000 ] - [ 0.0004084300000000, 0.0000303700000000, 0.0007739500000000 ] - [ 0.0019800100000000, 0.0001155300000000, 0.0006364400000000 ] - [ 0.0026186700000000, 0.0008533300000000, -0.0029825600000000 ] - [ 0.0030210100000000, -0.0000876500000000, 0.0008838900000000 ] - [ 0.0054104100000000, 0.0008433800000000, 0.0082202000000000 ] - [ 0.0026537400000000, -0.0001399300000000, -0.0004924100000000 ] - [ 0.0036351900000000, 0.0000118800000000, 0.0011923700000000 ] - [ 0.0023163900000000, 0.0001670600000000, -0.0004322700000000 ] - [ -0.0014210800000000, 0.0000438400000000, 0.0003731900000000 ] - [ 0.0020128400000000, 0.0000143300000000, 0.0005804500000000 ] - [ 0.0024270600000000, -0.0005959000000000, -0.0000785300000000 ] - [ 0.0029032600000000, -0.0000063200000000, -0.0000738700000000 ] - [ 0.0075637500000000, 0.0046383200000000, 0.0004279300000000 ] - [ 0.0044894200000000, 0.0004063900000000, 0.0001246800000000 ] - [ 0.0018971000000000, -0.0001646300000000, -0.0001271200000000 ] - [ 0.0009673800000000, -0.0001580900000000, 0.0021602200000000 ] - [ 0.0012761600000000, 0.0000600700000000, 0.0005960400000000 ] - [ 0.0024414100000000, 0.0000972900000000, -0.0002135700000000 ] - [ -0.0015457600000000, -0.0001316700000000, -0.0028552800000000 ] - [ 0.0021845000000000, -0.0001891300000000, -0.0002016300000000 ] - [ 0.0025639800000000, -0.0000009800000000, -0.0002241000000000 ] - [ 0.0028165000000000, -0.0000706100000000, -0.0002598100000000 ] - [ 0.0018040300000000, 0.0000552700000000, 0.0001653900000000 ] - [ 0.0026785900000000, 0.0000421000000000, 0.0009227900000000 ] - [ 0.0020123900000000, -0.0000668300000000, 0.0001741500000000 ] - [ 0.0025212900000000, 0.0006276700000000, -0.0003647500000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008372200000000, 0.0250385500000000, 0.0017557300000000 ] - [ -0.0002884400000000, -0.0000670300000000, 0.0000361000000000 ] - [ 0.0004653600000000, -0.0006655200000000, -0.0000516200000000 ] - [ 0.0002324400000000, -0.0001113000000000, -0.0003736100000000 ] - [ -0.0004305600000000, -0.0008417500000000, -0.0003673900000000 ] - [ -0.0003244700000000, 0.0007229700000000, 0.0004075500000000 ] - [ 0.0014882400000000, 0.0188599000000000, -0.0014609200000000 ] - [ 0.0027218900000000, 0.0377808200000000, 0.0019224800000000 ] - [ 0.0000233000000000, 0.0003424500000000, -0.0001853800000000 ] - [ 0.0008826400000000, -0.0046204400000000, 0.0004368300000000 ] - [ 0.0002083000000000, 0.0000290900000000, 0.0001128500000000 ] - [ 0.0002306500000000, -0.0047211600000000, 0.0006491600000000 ] - [ 0.0001954100000000, -0.0000361900000000, 0.0001062400000000 ] - [ -0.0003861100000000, 0.0010164300000000, 0.0003999000000000 ] - [ 0.0000716700000000, 0.0000130000000000, -0.0001134300000000 ] - [ 0.0001881400000000, 0.0002095900000000, 0.0000428000000000 ] - [ 0.0000767300000000, -0.0000134400000000, 0.0000411200000000 ] - [ -0.0000786200000000, -0.0001031900000000, -0.0001390400000000 ] - [ 0.0000963100000000, -0.0000087800000000, -0.0002406800000000 ] - [ 0.0000423000000000, 0.0000110400000000, 0.0000119400000000 ] - [ 0.0001119400000000, -0.0001432400000000, 0.0002568400000000 ] - [ 0.0000926300000000, 0.0000931500000000, 0.0001448500000000 ] - [ -0.0000003600000000, -0.0002456500000000, -0.0000131300000000 ] - [ 0.0002144600000000, 0.0000410500000000, 0.0001240400000000 ] - [ -0.0002050300000000, -0.0023673500000000, -0.0009267700000000 ] - [ -0.0484545400000000, -0.4919597700000000, -0.0375038100000000 ] - [ -0.0004111500000000, -0.0000535600000000, 0.0004423600000000 ] - [ -0.0000213600000000, -0.0000220400000000, -0.0002389100000000 ] - [ 0.0003415000000000, -0.0002611300000000, 0.0004586600000000 ] - [ 0.0001828900000000, -0.0000279300000000, -0.0002088300000000 ] - [ 0.0000539600000000, 0.0000271200000000, -0.0002557900000000 ] - [ -0.0015619300000000, 0.0016701100000000, -0.0003124100000000 ] - [ 0.0000242100000000, -0.0000742100000000, -0.0001945300000000 ] - [ 0.0001250700000000, 0.0000542800000000, -0.0000480000000000 ] - [ 0.0001646900000000, -0.0000507400000000, 0.0000188300000000 ] - [ 0.0007421500000000, -0.0015182200000000, -0.0004447700000000 ] - [ 0.0001668100000000, 0.0002841900000000, -0.0002335300000000 ] - [ 0.0001637100000000, 0.0023938200000000, -0.0006890500000000 ] - [ 0.0021668400000000, -0.0197545700000000, -0.0015659600000000 ] - [ 0.0001397600000000, 0.0000773100000000, -0.0001533500000000 ] - [ -0.0000163300000000, -0.0003843100000000, -0.0013017400000000 ] - [ 0.0000821700000000, -0.0001122100000000, 0.0001264300000000 ] - [ 0.0001100500000000, 0.0001857000000000, -0.0001812700000000 ] - [ 0.0028981700000000, 0.0014664800000000, 0.0005332300000000 ] - [ -0.0000051500000000, 0.0001565600000000, 0.0000494600000000 ] - [ 0.0005464400000000, -0.0007177900000000, 0.0000065700000000 ] - [ -0.0000765200000000, -0.0001224900000000, -0.0002191600000000 ] - [ 0.0022246300000000, 0.0000557500000000, -0.0019149800000000 ] - [ 0.0007362600000000, -0.0001179200000000, 0.0005368800000000 ] - [ 0.0002086400000000, 0.0005174900000000, 0.0006922100000000 ] - [ -0.0003419400000000, 0.0000088200000000, 0.0000239400000000 ] - [ -0.0000533300000000, -0.0005781200000000, -0.0000839600000000 ] - [ -0.0029438100000000, 0.0047494100000000, -0.0037113900000000 ] - [ 0.0004122300000000, 0.0010962200000000, 0.0016478400000000 ] - [ -0.0001683200000000, 0.0000422000000000, 0.0001164400000000 ] - [ 0.0001310500000000, 0.0000046400000000, 0.0002709000000000 ] - [ -0.0110797300000000, 0.0695910100000000, 0.0796680500000000 ] - [ 0.0001025300000000, -0.0002087300000000, -0.0003576600000000 ] - [ -0.0007681800000000, -0.0001857900000000, -0.0004569700000000 ] - [ 0.0655335600000000, 0.0698123300000000, -0.0350318300000000 ] - [ -0.0002249000000000, 0.0000573100000000, -0.0002028700000000 ] - [ -0.0003346500000000, -0.0007011200000000, 0.0012186400000000 ] - [ 0.0004678900000000, -0.0002177900000000, 0.0001038400000000 ] - [ -0.0001476800000000, -0.0003103800000000, -0.0004309800000000 ] - [ 0.0157760800000000, 0.2420489900000000, 0.0087368600000000 ] - [ -0.0298180600000000, 0.0479000100000000, -0.0182132000000000 ] - [ 0.0002809400000000, 0.0004034200000000, -0.0007560800000000 ] - [ -0.0011719000000000, -0.0005608600000000, 0.0040800800000000 ] - [ -0.0001611100000000, 0.0001658200000000, -0.0001173400000000 ] - [ 0.0008045400000000, 0.0000269200000000, -0.0004843800000000 ] - [ 0.0000560000000000, 0.0000846800000000, 0.0002295500000000 ] - [ -0.0000334600000000, 0.0000522400000000, 0.0002924200000000 ] - [ -0.0005447100000000, 0.0003304200000000, 0.0000802100000000 ] - [ 0.0000193000000000, 0.0000439600000000, -0.0000132500000000 ] - [ 0.0025760500000000, 0.0008896500000000, 0.0032598500000000 ] - [ -0.0002025200000000, 0.0000068200000000, 0.0000402300000000 ] - [ 0.0001880700000000, -0.0000269800000000, 0.0000118700000000 ] - [ 0.0000068900000000, 0.0000279700000000, 0.0000379300000000 ] - [ -0.0007331100000000, -0.0002390800000000, 0.0006177000000000 ] - [ -0.0000324200000000, 0.0001003300000000, 0.0001871900000000 ] - [ 0.0000560500000000, 0.0001117600000000, -0.0002210900000000 ] - [ -0.0001550200000000, 0.0000089200000000, 0.0000268100000000 ] - [ -0.0017013400000000, 0.0053082500000000, -0.0014316800000000 ] - [ -0.0004990100000000, -0.0000542200000000, 0.0000526400000000 ] - [ -0.0001617500000000, -0.0001556100000000, -0.0000774700000000 ] - [ -0.0000700700000000, -0.0001535600000000, 0.0000619300000000 ] - [ -0.0000282500000000, -0.0000540700000000, 0.0001391500000000 ] - [ -0.0001700200000000, -0.0000435500000000, 0.0001209700000000 ] - [ 0.0004165600000000, -0.0010129700000000, 0.0002248700000000 ] - [ -0.0000895700000000, -0.0001128200000000, 0.0002059500000000 ] - [ -0.0000706900000000, -0.0000634700000000, 0.0002363400000000 ] - [ -0.0001899600000000, 0.0000437500000000, 0.0000912600000000 ] - [ -0.0001569100000000, 0.0001186000000000, 0.0000124600000000 ] - [ 0.0000760400000000, -0.0000261000000000, 0.0000440100000000 ] - [ -0.0001778600000000, -0.0001252900000000, -0.0000213300000000 ] - [ 0.0000039800000000, -0.0001288900000000, -0.0002034400000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010612300000000, -0.0250974000000000, -0.0017776900000000 ] - [ 0.0000610100000000, 0.0001266400000000, 0.0001921100000000 ] - [ -0.0004730200000000, 0.0006716600000000, -0.0003041500000000 ] - [ -0.0001743400000000, 0.0001009900000000, 0.0004077400000000 ] - [ 0.0003721900000000, 0.0008368500000000, 0.0004016400000000 ] - [ 0.0003874900000000, -0.0007169200000000, -0.0003775200000000 ] - [ -0.0016619800000000, -0.0188890700000000, 0.0011503600000000 ] - [ -0.0024509000000000, -0.0376602700000000, -0.0016196800000000 ] - [ -0.0000229300000000, -0.0005180800000000, 0.0005655600000000 ] - [ -0.0008808700000000, 0.0048067200000000, -0.0000663900000000 ] - [ -0.0004382900000000, -0.0000873800000000, 0.0001085600000000 ] - [ 0.0000016900000000, 0.0047961700000000, -0.0004189400000000 ] - [ 0.0000364100000000, -0.0000243300000000, 0.0001220500000000 ] - [ 0.0001640300000000, -0.0009681600000000, -0.0001781400000000 ] - [ -0.0000714600000000, -0.0000126800000000, -0.0002432900000000 ] - [ -0.0001272100000000, -0.0002230800000000, -0.0000115400000000 ] - [ -0.0001337100000000, 0.0000018700000000, -0.0000084600000000 ] - [ 0.0001384100000000, 0.0001140300000000, 0.0001732500000000 ] - [ -0.0000961100000000, 0.0000090500000000, -0.0001171100000000 ] - [ -0.0000982900000000, 0.0000010500000000, 0.0000195700000000 ] - [ -0.0001090300000000, -0.0000276600000000, 0.0001156900000000 ] - [ -0.0000907300000000, 0.0000778900000000, 0.0002340900000000 ] - [ -0.0002303000000000, 0.0001893000000000, 0.0002387600000000 ] - [ 0.0000134400000000, 0.0000152100000000, 0.0000982200000000 ] - [ 0.0001958500000000, 0.0022296600000000, 0.0006153200000000 ] - [ 0.0487741400000000, 0.5103354400000000, 0.0376975400000000 ] - [ 0.0004878100000000, -0.0000445300000000, -0.0004919400000000 ] - [ -0.0000541200000000, -0.0000747300000000, 0.0001914100000000 ] - [ -0.0004161900000000, 0.0003563700000000, -0.0005112100000000 ] - [ -0.0001829700000000, 0.0000283600000000, -0.0001959500000000 ] - [ -0.0000536700000000, -0.0000261400000000, -0.0001418200000000 ] - [ 0.0015777100000000, -0.0015263800000000, -0.0000026300000000 ] - [ -0.0000206100000000, -0.0000839000000000, -0.0001203300000000 ] - [ -0.0000477000000000, 0.0000402900000000, -0.0000036000000000 ] - [ -0.0000907800000000, -0.0000483500000000, -0.0000669500000000 ] - [ -0.0008182700000000, 0.0014375100000000, 0.0004011800000000 ] - [ -0.0002474500000000, -0.0001893500000000, 0.0001874100000000 ] - [ -0.0001775900000000, -0.0024204700000000, 0.0002974200000000 ] - [ -0.0020999100000000, 0.0198925800000000, 0.0012378300000000 ] - [ -0.0001380300000000, 0.0000832600000000, -0.0001581300000000 ] - [ -0.0002218300000000, 0.0007324300000000, 0.0010964200000000 ] - [ 0.0001576900000000, -0.0001973500000000, -0.0001447100000000 ] - [ 0.0001292800000000, 0.0001196400000000, 0.0001652200000000 ] - [ -0.0029219500000000, -0.0013589500000000, -0.0001428200000000 ] - [ 0.0002439900000000, 0.0001894700000000, -0.0002558800000000 ] - [ -0.0003510200000000, 0.0008315200000000, 0.0000678800000000 ] - [ -0.0001217300000000, -0.0000638400000000, -0.0001853700000000 ] - [ -0.0024749600000000, -0.0000742500000000, 0.0020491500000000 ] - [ -0.0005104700000000, 0.0001369100000000, -0.0004273500000000 ] - [ 0.0000219000000000, -0.0005378800000000, -0.0005794200000000 ] - [ 0.0001511900000000, -0.0001202700000000, 0.0000551900000000 ] - [ 0.0000541200000000, 0.0007887900000000, 0.0004901600000000 ] - [ 0.0031691000000000, -0.0045949400000000, 0.0033320500000000 ] - [ -0.0006511700000000, -0.0010952400000000, -0.0015453100000000 ] - [ -0.0000238700000000, 0.0000691500000000, -0.0000414000000000 ] - [ 0.0000133200000000, 0.0000842700000000, -0.0001016600000000 ] - [ 0.0106006500000000, -0.0700440400000000, -0.0778857800000000 ] - [ 0.0001359500000000, -0.0001377900000000, 0.0001527700000000 ] - [ 0.0009195600000000, 0.0000949400000000, 0.0006326100000000 ] - [ -0.0638269800000000, -0.0698199100000000, 0.0341918200000000 ] - [ 0.0000281300000000, 0.0001299700000000, -0.0001986100000000 ] - [ 0.0003371500000000, 0.0004922100000000, -0.0008182300000000 ] - [ -0.0004716800000000, 0.0000916700000000, 0.0003029500000000 ] - [ 0.0000023100000000, 0.0003994300000000, 0.0006029000000000 ] - [ -0.0173088700000000, -0.2601039400000000, -0.0095602400000000 ] - [ 0.0292368100000000, -0.0480502600000000, 0.0177707500000000 ] - [ -0.0005212000000000, -0.0007091700000000, 0.0007413500000000 ] - [ 0.0013949800000000, 0.0003832700000000, -0.0045257800000000 ] - [ -0.0000781600000000, 0.0001787800000000, -0.0000877300000000 ] - [ -0.0005741700000000, -0.0003331100000000, 0.0004718300000000 ] - [ 0.0001847200000000, 0.0002224100000000, -0.0002493500000000 ] - [ 0.0000316000000000, 0.0000727200000000, 0.0001080900000000 ] - [ 0.0007835800000000, 0.0000135800000000, -0.0002883200000000 ] - [ 0.0001738800000000, 0.0000667600000000, 0.0000912900000000 ] - [ -0.0028014800000000, -0.0010876600000000, -0.0037033000000000 ] - [ -0.0000311000000000, -0.0000249800000000, 0.0000744000000000 ] - [ 0.0000403700000000, 0.0000450400000000, 0.0001038000000000 ] - [ 0.0002244600000000, -0.0000460100000000, 0.0000755700000000 ] - [ 0.0005457100000000, 0.0001320200000000, -0.0005488900000000 ] - [ 0.0000308300000000, 0.0001125300000000, 0.0002195100000000 ] - [ 0.0001431900000000, 0.0000744900000000, -0.0001842000000000 ] - [ -0.0000809100000000, 0.0000078400000000, 0.0000912500000000 ] - [ 0.0015270800000000, -0.0052147000000000, 0.0015174200000000 ] - [ 0.0006491900000000, 0.0001446200000000, 0.0001209700000000 ] - [ -0.0000778000000000, -0.0001909400000000, -0.0001295900000000 ] - [ 0.0003089300000000, -0.0001923400000000, -0.0002690700000000 ] - [ 0.0001745700000000, -0.0000340100000000, 0.0000295200000000 ] - [ 0.0000230300000000, -0.0000453000000000, 0.0000481100000000 ] - [ -0.0006140800000000, 0.0012074200000000, -0.0006292100000000 ] - [ 0.0000879900000000, -0.0000977800000000, 0.0001995700000000 ] - [ 0.0000693700000000, -0.0000627100000000, 0.0001689000000000 ] - [ 0.0000415600000000, 0.0000441700000000, 0.0000817500000000 ] - [ -0.0000842500000000, 0.0001862500000000, -0.0000308100000000 ] - [ 0.0001164000000000, -0.0000855900000000, 0.0000305200000000 ] - [ -0.0000641000000000, -0.0001837600000000, 0.0000057100000000 ] - [ 0.0001942300000000, -0.0000576300000000, -0.0001966400000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0029575800000000, -0.0102855700000000, 0.0125565100000000 ] - [ 0.0012386700000000, 0.0001925600000000, 0.0006490100000000 ] - [ 0.0002749500000000, -0.0005300000000000, 0.0080842000000000 ] - [ -0.0008966500000000, -0.0001658900000000, 0.0016121500000000 ] - [ -0.0005413200000000, -0.0004120800000000, 0.0070612000000000 ] - [ 0.0016464800000000, -0.0003997000000000, -0.0022136900000000 ] - [ -0.0139398700000000, 0.0041427100000000, -0.0167139100000000 ] - [ 0.0192401600000000, 0.0101309700000000, -0.0120882200000000 ] - [ 0.0029756200000000, -0.0003995500000000, 0.0041164600000000 ] - [ -0.0099971500000000, 0.0027683100000000, -0.0001734900000000 ] - [ -0.0010456000000000, 0.0000570300000000, -0.0002381000000000 ] - [ 0.0023300000000000, -0.0052616300000000, 0.0241500200000000 ] - [ 0.0002871100000000, -0.0000604300000000, 0.0001700600000000 ] - [ 0.0040393400000000, -0.0006277500000000, 0.0004916000000000 ] - [ 0.0003353600000000, 0.0000111500000000, -0.0004555300000000 ] - [ -0.0004205700000000, -0.0001566000000000, -0.0017050200000000 ] - [ 0.0001026000000000, -0.0000125800000000, -0.0001701300000000 ] - [ 0.0007231300000000, 0.0000867700000000, 0.0014052000000000 ] - [ 0.0000958400000000, 0.0000012400000000, 0.0000877900000000 ] - [ 0.0002451500000000, 0.0000485000000000, 0.0002473500000000 ] - [ 0.0007622600000000, -0.0001082000000000, -0.0000054500000000 ] - [ -0.0003149200000000, 0.0000681100000000, 0.0004298200000000 ] - [ -0.0035720000000000, -0.0006563700000000, 0.0011470900000000 ] - [ 0.0003386200000000, 0.0000101800000000, 0.0000586800000000 ] - [ 0.0092886300000000, -0.0004727500000000, -0.0043875100000000 ] - [ 0.0387517300000000, -0.0429308900000000, -0.4257195300000000 ] - [ -0.0000404600000000, -0.0005128300000000, 0.0100288900000000 ] - [ 0.0005176400000000, 0.0001735900000000, 0.0010723600000000 ] - [ -0.0004321900000000, 0.0005297500000000, -0.0015179700000000 ] - [ 0.0000440500000000, -0.0000463300000000, -0.0004202500000000 ] - [ 0.0004816100000000, -0.0000698600000000, 0.0000277900000000 ] - [ -0.0039448000000000, 0.0003400600000000, 0.0043872800000000 ] - [ 0.0008548300000000, -0.0002661800000000, 0.0005325400000000 ] - [ 0.0002747400000000, 0.0000179800000000, 0.0002192800000000 ] - [ 0.0002785400000000, -0.0000834400000000, -0.0002364200000000 ] - [ 0.0037260800000000, 0.0003820500000000, -0.0070172900000000 ] - [ -0.0021084500000000, -0.0001707900000000, 0.0044826900000000 ] - [ -0.0074853000000000, -0.0007523600000000, 0.0095406600000000 ] - [ 0.0294373200000000, 0.0112078400000000, 0.0182002800000000 ] - [ -0.0004568900000000, -0.0000243300000000, -0.0008740600000000 ] - [ 0.0007382600000000, 0.0013660400000000, -0.0080768800000000 ] - [ 0.0000608000000000, -0.0002219000000000, -0.0006101700000000 ] - [ -0.0001519400000000, -0.0000957400000000, 0.0007500800000000 ] - [ -0.0028687000000000, -0.0016888600000000, 0.0065946300000000 ] - [ 0.0002576500000000, 0.0002348900000000, -0.0007901000000000 ] - [ 0.0003212300000000, 0.0001688500000000, -0.0063541700000000 ] - [ -0.0005950100000000, 0.0000963300000000, -0.0002573300000000 ] - [ 0.0048158600000000, -0.0006081400000000, -0.0044539000000000 ] - [ -0.0031848100000000, 0.0004409200000000, 0.0002470400000000 ] - [ 0.0024064600000000, -0.0003517900000000, -0.0010232700000000 ] - [ -0.0000394200000000, -0.0001310000000000, 0.0003949000000000 ] - [ -0.0045367100000000, -0.0004328700000000, 0.0020861600000000 ] - [ -0.0049686200000000, -0.0027609000000000, -0.0079121700000000 ] - [ -0.0081535600000000, 0.0026959800000000, -0.0019818400000000 ] - [ -0.0004205900000000, -0.0000667200000000, -0.0002140100000000 ] - [ -0.0008736600000000, 0.0001463200000000, -0.0011993600000000 ] - [ -0.0270592200000000, 0.0810478900000000, 0.2208487700000000 ] - [ -0.0003838600000000, -0.0000469100000000, 0.0007762700000000 ] - [ 0.0015983900000000, 0.0001427900000000, 0.0016982000000000 ] - [ -0.0661309700000000, -0.0345791600000000, 0.0835884700000000 ] - [ 0.0000790900000000, 0.0002005000000000, -0.0001959000000000 ] - [ 0.0014639900000000, -0.0004146300000000, -0.0020332200000000 ] - [ 0.0004869100000000, 0.0000153700000000, -0.0036234300000000 ] - [ -0.0005735600000000, -0.0010322800000000, -0.0060311600000000 ] - [ 0.0003393700000000, 0.0108187400000000, 0.0470220500000000 ] - [ 0.0378339500000000, -0.0190399000000000, 0.0600638700000000 ] - [ 0.0000485100000000, 0.0008148300000000, -0.0064709600000000 ] - [ 0.0062874300000000, 0.0023483000000000, -0.0052042600000000 ] - [ -0.0002505100000000, 0.0001404100000000, 0.0000462500000000 ] - [ -0.0022174400000000, 0.0003333900000000, 0.0034580200000000 ] - [ 0.0006675500000000, 0.0004989900000000, -0.0022970300000000 ] - [ -0.0001790300000000, 0.0000955300000000, -0.0002838800000000 ] - [ 0.0021333000000000, -0.0008094100000000, 0.0034607600000000 ] - [ 0.0000242100000000, 0.0000127200000000, 0.0001386000000000 ] - [ -0.0053537300000000, 0.0006673300000000, -0.0050980200000000 ] - [ 0.0000142500000000, 0.0000013100000000, 0.0001563800000000 ] - [ -0.0012116400000000, -0.0001280100000000, -0.0005134600000000 ] - [ 0.0011126500000000, -0.0001247500000000, 0.0004752400000000 ] - [ 0.0032637200000000, -0.0006609900000000, -0.0046260400000000 ] - [ -0.0003115300000000, 0.0001946400000000, -0.0000711900000000 ] - [ -0.0001471600000000, 0.0001860500000000, -0.0002298100000000 ] - [ -0.0005940000000000, 0.0000001100000000, -0.0000587800000000 ] - [ -0.0071820200000000, -0.0046557800000000, 0.0050210200000000 ] - [ -0.0013877500000000, 0.0000850000000000, 0.0015962700000000 ] - [ -0.0002247800000000, -0.0001803700000000, -0.0002376800000000 ] - [ -0.0007691100000000, -0.0006582700000000, -0.0031832400000000 ] - [ 0.0008514000000000, 0.0000709000000000, -0.0012297100000000 ] - [ -0.0001772500000000, -0.0000588600000000, -0.0000387700000000 ] - [ 0.0059947400000000, 0.0002671600000000, -0.0021188300000000 ] - [ 0.0000817800000000, -0.0000088400000000, 0.0004693900000000 ] - [ -0.0001294600000000, -0.0000180300000000, 0.0008419900000000 ] - [ -0.0003738300000000, 0.0000364600000000, 0.0002730000000000 ] - [ -0.0002507700000000, 0.0001481000000000, -0.0001241300000000 ] - [ -0.0001294400000000, -0.0000477600000000, -0.0001746100000000 ] - [ -0.0002239200000000, -0.0001020700000000, 0.0001067100000000 ] - [ 0.0000358100000000, -0.0001146100000000, -0.0002190600000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0032082500000000, 0.0103227000000000, -0.0123661300000000 ] - [ -0.0014799100000000, -0.0001247400000000, -0.0004190400000000 ] - [ -0.0003040800000000, 0.0005446500000000, -0.0084711200000000 ] - [ 0.0009672400000000, 0.0001508300000000, -0.0015796700000000 ] - [ 0.0005056800000000, 0.0003951400000000, -0.0070510400000000 ] - [ -0.0015952200000000, 0.0004137900000000, 0.0022390700000000 ] - [ 0.0139658200000000, -0.0041510600000000, 0.0162868600000000 ] - [ -0.0193117100000000, -0.0101321800000000, 0.0120022700000000 ] - [ -0.0029646600000000, 0.0002235100000000, -0.0037516000000000 ] - [ 0.0100132000000000, -0.0025964600000000, 0.0005870700000000 ] - [ 0.0008023400000000, -0.0001285300000000, 0.0004683000000000 ] - [ -0.0020933500000000, 0.0053555300000000, -0.0237930700000000 ] - [ -0.0000411200000000, -0.0000085200000000, 0.0000632600000000 ] - [ -0.0042827000000000, 0.0006900900000000, -0.0002479400000000 ] - [ -0.0003377100000000, -0.0000101400000000, 0.0001011900000000 ] - [ 0.0004865900000000, 0.0001427900000000, 0.0017358800000000 ] - [ -0.0001613900000000, -0.0000040800000000, 0.0002045000000000 ] - [ -0.0006675000000000, -0.0000704200000000, -0.0013669600000000 ] - [ -0.0000953000000000, -0.0000022200000000, -0.0004458000000000 ] - [ -0.0003061800000000, -0.0000333300000000, -0.0002144800000000 ] - [ -0.0007566000000000, -0.0000621600000000, 0.0003730700000000 ] - [ 0.0003141000000000, 0.0001024500000000, -0.0000594000000000 ] - [ 0.0033282900000000, 0.0005864000000000, -0.0009235700000000 ] - [ -0.0000982200000000, 0.0000547300000000, 0.0001663000000000 ] - [ -0.0092626800000000, 0.0002798200000000, 0.0040369200000000 ] - [ -0.0365973800000000, 0.0323746000000000, 0.4142974100000000 ] - [ 0.0001240900000000, 0.0004127300000000, -0.0101014600000000 ] - [ -0.0005976900000000, -0.0002636800000000, -0.0011124400000000 ] - [ 0.0003382900000000, -0.0004309100000000, 0.0014767400000000 ] - [ -0.0000460400000000, 0.0000463500000000, -0.0000162600000000 ] - [ -0.0004822300000000, 0.0000727000000000, -0.0004600800000000 ] - [ 0.0039750500000000, -0.0001328300000000, -0.0046912900000000 ] - [ -0.0008496200000000, 0.0000596500000000, -0.0008312100000000 ] - [ -0.0001874900000000, 0.0000741900000000, -0.0002607200000000 ] - [ -0.0001944900000000, -0.0000062300000000, 0.0001954200000000 ] - [ -0.0037904200000000, -0.0004722100000000, 0.0069750700000000 ] - [ 0.0020166700000000, 0.0002586700000000, -0.0045273000000000 ] - [ 0.0074805900000000, 0.0007401400000000, -0.0099902200000000 ] - [ -0.0297137200000000, -0.0111287200000000, -0.0185288300000000 ] - [ 0.0004556500000000, 0.0002294500000000, 0.0005714100000000 ] - [ -0.0009507100000000, -0.0010513100000000, 0.0079083000000000 ] - [ 0.0001553200000000, -0.0000233800000000, 0.0006120000000000 ] - [ 0.0003735800000000, 0.0003397500000000, -0.0007486900000000 ] - [ 0.0028914700000000, 0.0018214300000000, -0.0060641600000000 ] - [ -0.0000520100000000, 0.0000884200000000, 0.0005938000000000 ] - [ -0.0000656600000000, -0.0001158700000000, 0.0064500000000000 ] - [ 0.0004026300000000, -0.0002991300000000, -0.0001820000000000 ] - [ -0.0050738700000000, 0.0006245700000000, 0.0045071300000000 ] - [ 0.0033940900000000, -0.0004411100000000, -0.0001806800000000 ] - [ -0.0021994400000000, 0.0003452600000000, 0.0010692700000000 ] - [ -0.0002012200000000, 0.0000761600000000, -0.0003161000000000 ] - [ 0.0045371000000000, 0.0006412200000000, -0.0016753200000000 ] - [ 0.0052720700000000, 0.0029753100000000, 0.0074959500000000 ] - [ 0.0078928700000000, -0.0026697500000000, 0.0020366300000000 ] - [ 0.0001722900000000, 0.0001304200000000, 0.0002898300000000 ] - [ 0.0010661400000000, -0.0000660300000000, 0.0013892200000000 ] - [ 0.0249962100000000, -0.0746564600000000, -0.2088919300000000 ] - [ 0.0005932400000000, -0.0002769000000000, -0.0009759300000000 ] - [ -0.0013902500000000, -0.0002237900000000, -0.0015061300000000 ] - [ 0.0678262300000000, 0.0356035000000000, -0.0835245100000000 ] - [ -0.0002731200000000, 0.0000014300000000, -0.0002380000000000 ] - [ -0.0014801700000000, 0.0001963900000000, 0.0024184100000000 ] - [ -0.0004982300000000, -0.0001427900000000, 0.0041345100000000 ] - [ 0.0003706600000000, 0.0011098000000000, 0.0062319000000000 ] - [ -0.0004988600000000, -0.0090777600000000, -0.0467695300000000 ] - [ -0.0395911500000000, 0.0200620000000000, -0.0608437000000000 ] - [ -0.0002687700000000, -0.0010592900000000, 0.0064830200000000 ] - [ -0.0060843300000000, -0.0024854900000000, 0.0047768900000000 ] - [ 0.0000406800000000, 0.0001840300000000, -0.0002488500000000 ] - [ 0.0024233800000000, -0.0005833300000000, -0.0034573400000000 ] - [ -0.0004404000000000, -0.0002539900000000, 0.0022975500000000 ] - [ 0.0001795500000000, 0.0000338500000000, 0.0007917800000000 ] - [ -0.0019301700000000, 0.0011365100000000, -0.0036528000000000 ] - [ 0.0002223800000000, 0.0000453500000000, -0.0000576600000000 ] - [ 0.0051599600000000, -0.0008978000000000, 0.0046002600000000 ] - [ -0.0002365100000000, -0.0000025300000000, -0.0001012600000000 ] - [ 0.0014302900000000, 0.0001279900000000, 0.0005693200000000 ] - [ -0.0008940600000000, 0.0001252200000000, -0.0004166800000000 ] - [ -0.0035003500000000, 0.0006045500000000, 0.0047063500000000 ] - [ 0.0003140900000000, 0.0000264200000000, 0.0004599000000000 ] - [ 0.0003415100000000, 0.0000176300000000, -0.0002117000000000 ] - [ 0.0003748800000000, 0.0000003600000000, 0.0001165900000000 ] - [ 0.0069304300000000, 0.0047081000000000, -0.0049745400000000 ] - [ 0.0015810000000000, -0.0000039500000000, -0.0014067300000000 ] - [ 0.0000146800000000, -0.0001426800000000, 0.0000400900000000 ] - [ 0.0009920500000000, 0.0003369800000000, 0.0029882300000000 ] - [ -0.0006516100000000, -0.0001544600000000, 0.0014196700000000 ] - [ -0.0000219300000000, -0.0000216100000000, 0.0002257500000000 ] - [ -0.0061898000000000, -0.0000709400000000, 0.0016948700000000 ] - [ -0.0000845200000000, -0.0002096400000000, -0.0000831600000000 ] - [ 0.0001248000000000, -0.0001104500000000, -0.0003359800000000 ] - [ 0.0001727600000000, 0.0000468000000000, -0.0000780200000000 ] - [ 0.0000306200000000, 0.0000962300000000, 0.0001240300000000 ] - [ 0.0003743600000000, -0.0000037400000000, 0.0002525600000000 ] - [ 0.0000034800000000, -0.0001460000000000, -0.0001046300000000 ] - [ 0.0001579100000000, -0.0000879700000000, -0.0002088300000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0038155500000000, -0.0000681600000000, 0.0001331800000000 ] - [ -0.0038199700000000, 0.0008891000000000, -0.0017202000000000 ] - [ 0.0037050400000000, 0.0001228400000000, -0.0001812200000000 ] - [ 0.0032899600000000, -0.0001442600000000, 0.0044398800000000 ] - [ 0.0035938300000000, -0.0003705500000000, 0.0009350900000000 ] - [ 0.0035686700000000, -0.0005001900000000, -0.0047853900000000 ] - [ 0.0037986000000000, -0.0001357300000000, -0.0001805100000000 ] - [ 0.0037005800000000, 0.0003327200000000, 0.0000511800000000 ] - [ 0.0018799300000000, 0.0000970900000000, -0.0000359100000000 ] - [ 0.0057300800000000, 0.0003455200000000, 0.0003263900000000 ] - [ 0.0114518300000000, 0.0010324600000000, 0.0049286900000000 ] - [ 0.0033588700000000, 0.0001122300000000, 0.0000348800000000 ] - [ -0.0035937400000000, 0.0008191400000000, 0.0019637600000000 ] - [ 0.0035745300000000, 0.0000011500000000, 0.0000928300000000 ] - [ -0.0220070600000000, -0.0065158100000000, -0.0002057900000000 ] - [ 0.0037615100000000, 0.0003186300000000, -0.0000144000000000 ] - [ 0.0035091400000000, -0.0005049600000000, 0.0048428800000000 ] - [ 0.0036507900000000, -0.0003555200000000, -0.0009018200000000 ] - [ -0.0239789800000000, -0.0064554900000000, -0.0000838100000000 ] - [ 0.0032238800000000, -0.0001295600000000, -0.0044390700000000 ] - [ 0.0057455700000000, 0.0001753100000000, 0.0000366600000000 ] - [ 0.0018705000000000, 0.0002691500000000, 0.0004112300000000 ] - [ 0.0031159500000000, 0.0000413900000000, 0.0001974300000000 ] - [ 0.0116615100000000, 0.0011135600000000, -0.0047449000000000 ] - [ 0.0029077500000000, 0.0003092700000000, -0.0021761200000000 ] - [ 0.0045013700000000, 0.0002326100000000, 0.0000235000000000 ] - [ 0.0039584600000000, -0.0001027700000000, 0.0004625600000000 ] - [ -0.0042399900000000, 0.0001334800000000, 0.0074605900000000 ] - [ 0.0251206600000000, -0.0020178800000000, -0.0294520200000000 ] - [ -0.4513483900000000, -0.0826409200000000, 0.0012313900000000 ] - [ -0.0116413500000000, -0.0003919600000000, -0.0002071400000000 ] - [ 0.0054617500000000, 0.0006218500000000, 0.0021488400000000 ] - [ 0.0054703800000000, 0.0004195800000000, -0.0024646400000000 ] - [ -0.0041901900000000, 0.0002052900000000, -0.0075062200000000 ] - [ 0.0252318200000000, -0.0022526800000000, 0.0297040200000000 ] - [ 0.0044206500000000, 0.0001356800000000, -0.0000650000000000 ] - [ 0.0038755500000000, -0.0000090500000000, -0.0005007700000000 ] - [ 0.0046727500000000, -0.0001681900000000, -0.0002114600000000 ] - [ 0.0049720700000000, 0.0001968200000000, -0.0002149500000000 ] - [ 0.0028984400000000, 0.0005118400000000, 0.0018867200000000 ] - [ -0.0024731300000000, 0.0001490500000000, -0.0002392000000000 ] - [ 0.0025818500000000, 0.0002155200000000, -0.0034918900000000 ] - [ -0.0028408000000000, -0.0047311100000000, 0.0099136200000000 ] - [ -0.0029063800000000, 0.0000787400000000, 0.0016849600000000 ] - [ 0.0023849700000000, 0.0008711800000000, -0.0085247000000000 ] - [ -0.0029015300000000, 0.0001440000000000, -0.0009542500000000 ] - [ 0.0063781900000000, -0.0016939300000000, 0.0007299600000000 ] - [ -0.0041176100000000, -0.0000449900000000, -0.0001133100000000 ] - [ -0.0007976600000000, 0.0004267000000000, 0.0015199500000000 ] - [ -0.0061312300000000, 0.0001453100000000, -0.0027616100000000 ] - [ 0.0771670500000000, -0.0423114900000000, -0.0461753600000000 ] - [ -0.0022443100000000, -0.0001676600000000, 0.0012157000000000 ] - [ -0.0027195400000000, 0.0009538400000000, -0.0002370300000000 ] - [ -0.0028323000000000, -0.0001941000000000, 0.0008923700000000 ] - [ 0.0064024500000000, 0.0001565200000000, -0.0033134500000000 ] - [ 0.0006591600000000, 0.0004225000000000, -0.0016431600000000 ] - [ -0.0025139600000000, -0.0001823300000000, 0.0001065000000000 ] - [ -0.0001697600000000, 0.0023285700000000, 0.0099771500000000 ] - [ -0.0069235900000000, 0.0006532000000000, 0.0035656400000000 ] - [ -0.0036214500000000, -0.0001221700000000, 0.0006764100000000 ] - [ 0.1356281100000000, 0.0904096200000000, 0.0845539000000000 ] - [ -0.0025346900000000, -0.0003823000000000, -0.0009133100000000 ] - [ -0.0021161400000000, 0.0000359700000000, -0.0012444000000000 ] - [ -0.0028001000000000, 0.0002374200000000, 0.0002734100000000 ] - [ -0.0025109800000000, 0.0001829900000000, -0.0001100600000000 ] - [ -0.0031851100000000, -0.0001915700000000, -0.0009647900000000 ] - [ -0.0023509900000000, -0.0002437500000000, -0.0002844800000000 ] - [ -0.0025418300000000, -0.0008758600000000, -0.0002044400000000 ] - [ -0.0003312700000000, 0.0026713500000000, -0.0101433200000000 ] - [ -0.0022905100000000, -0.0000725600000000, 0.0001107500000000 ] - [ -0.0021297200000000, 0.0000117700000000, 0.0002824200000000 ] - [ -0.0021114900000000, 0.0001666500000000, 0.0017547800000000 ] - [ -0.0023041700000000, 0.0001453500000000, -0.0003094100000000 ] - [ 0.0785441400000000, -0.0443156200000000, 0.0484292900000000 ] - [ -0.0029166400000000, 0.0007561300000000, -0.0001915200000000 ] - [ -0.0010044600000000, 0.0004253300000000, -0.0014730100000000 ] - [ -0.0039041900000000, -0.0000431600000000, 0.0001766700000000 ] - [ -0.0026129000000000, -0.0001975600000000, -0.0008369900000000 ] - [ -0.0031446900000000, 0.0000907800000000, 0.0010306100000000 ] - [ -0.0025321500000000, -0.0001649100000000, 0.0013101000000000 ] - [ 0.0065859000000000, -0.0014998000000000, -0.0011692100000000 ] - [ -0.0063580300000000, 0.0001383500000000, 0.0028362400000000 ] - [ -0.0034292200000000, -0.0001367700000000, 0.0010452100000000 ] - [ -0.0034284700000000, -0.0000374900000000, -0.0004860400000000 ] - [ 0.0022185300000000, 0.0005784000000000, 0.0083612100000000 ] - [ -0.0022620900000000, -0.0001794300000000, 0.0000373700000000 ] - [ -0.0026050700000000, 0.0001556500000000, -0.0000864900000000 ] - [ 0.0004795500000000, 0.0003451400000000, 0.0018294800000000 ] - [ -0.0027401900000000, -0.0006797600000000, -0.0002307700000000 ] - [ -0.0022439600000000, -0.0003862600000000, -0.0008342900000000 ] - [ -0.0029101100000000, -0.0000501200000000, -0.0011917500000000 ] - [ -0.0071185400000000, 0.0007554600000000, -0.0034036800000000 ] - [ 0.0023901400000000, 0.0004757700000000, 0.0034823000000000 ] - [ 0.0066597900000000, 0.0000946400000000, 0.0033837200000000 ] - [ -0.0030709400000000, -0.0050171900000000, -0.0099955100000000 ] - [ 0.1379238000000000, 0.0940269900000000, -0.0888726700000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000875900000000, 0.0000165800000000, -0.0000469300000000 ] - [ 0.0000536900000000, -0.0008684500000000, 0.0020672500000000 ] - [ -0.0000446700000000, 0.0000012000000000, -0.0001793700000000 ] - [ 0.0031990200000000, -0.0015912000000000, 0.0020931700000000 ] - [ 0.0001536700000000, -0.0000611300000000, 0.0000756400000000 ] - [ -0.0008414900000000, 0.0020680900000000, 0.0004954100000000 ] - [ -0.0002389400000000, 0.0000159300000000, -0.0001795700000000 ] - [ -0.0004957300000000, 0.0000193400000000, -0.0000016600000000 ] - [ 0.0000000700000000, -0.0000361400000000, 0.0008432900000000 ] - [ -0.0006340700000000, -0.0007103700000000, -0.0010601300000000 ] - [ 0.0011225600000000, 0.0227736900000000, -0.0061036700000000 ] - [ -0.0000866000000000, 0.0000425100000000, 0.0002495900000000 ] - [ 0.0002962400000000, -0.0009355900000000, -0.0018286300000000 ] - [ -0.0001549500000000, 0.0000853300000000, 0.0002743200000000 ] - [ 0.0050871000000000, 0.0123783100000000, -0.0001321700000000 ] - [ -0.0004339500000000, 0.0000054200000000, 0.0000358800000000 ] - [ -0.0008954600000000, 0.0020639600000000, -0.0004532100000000 ] - [ 0.0002110700000000, -0.0000458300000000, -0.0000399200000000 ] - [ -0.0080576200000000, -0.0128271500000000, -0.0001139100000000 ] - [ 0.0031228000000000, -0.0015608200000000, -0.0020486000000000 ] - [ -0.0006315300000000, -0.0008818500000000, 0.0014208200000000 ] - [ -0.0000005900000000, 0.0001347800000000, -0.0004695600000000 ] - [ -0.0003298600000000, -0.0000285000000000, -0.0000170000000000 ] - [ 0.0015923500000000, 0.0228229000000000, 0.0062861500000000 ] - [ -0.0005326800000000, -0.0004301000000000, 0.0002586100000000 ] - [ -0.0002699800000000, 0.0000194900000000, -0.0000676800000000 ] - [ -0.0000148100000000, -0.0000217700000000, 0.0000509200000000 ] - [ 0.0005051600000000, 0.0023755500000000, 0.0007161000000000 ] - [ -0.0204720300000000, -0.0197221500000000, 0.0111227400000000 ] - [ -0.0826351700000000, -0.4203334200000000, 0.0007965100000000 ] - [ 0.0003915400000000, 0.0000490700000000, -0.0002145300000000 ] - [ 0.0009457200000000, 0.0004059100000000, 0.0001582000000000 ] - [ 0.0009457700000000, 0.0001991000000000, -0.0004624800000000 ] - [ 0.0005851700000000, 0.0024378600000000, -0.0007781200000000 ] - [ -0.0204492700000000, -0.0199176200000000, -0.0112160500000000 ] - [ -0.0003545000000000, -0.0000770900000000, 0.0000259800000000 ] - [ -0.0000986700000000, 0.0000718000000000, -0.0000894100000000 ] - [ -0.0001682700000000, -0.0000339100000000, -0.0002115400000000 ] - [ -0.0001978100000000, -0.0000678200000000, -0.0002169400000000 ] - [ -0.0005345400000000, -0.0002230400000000, -0.0005575300000000 ] - [ -0.0001066300000000, 0.0001861500000000, -0.0001192700000000 ] - [ -0.0002444600000000, -0.0004657100000000, -0.0026694300000000 ] - [ -0.0026828800000000, 0.0065283600000000, 0.0037745200000000 ] - [ 0.0003868800000000, 0.0000870100000000, 0.0001931400000000 ] - [ 0.0016687000000000, 0.0008052000000000, 0.0003980500000000 ] - [ 0.0001929500000000, 0.0000099100000000, 0.0000342000000000 ] - [ -0.0006931200000000, -0.0001149600000000, -0.0005688000000000 ] - [ -0.0005396600000000, 0.0002187800000000, 0.0002928800000000 ] - [ 0.0003187000000000, 0.0000921900000000, -0.0004936500000000 ] - [ -0.0017259100000000, -0.0008614500000000, 0.0005391300000000 ] - [ -0.0405953800000000, 0.0829316800000000, 0.0519449000000000 ] - [ 0.0004725600000000, 0.0001182200000000, -0.0001615400000000 ] - [ 0.0001545500000000, 0.0000910700000000, -0.0001917500000000 ] - [ 0.0001862500000000, 0.0000873200000000, -0.0001995600000000 ] - [ -0.0000173300000000, -0.0002167700000000, -0.0002722300000000 ] - [ 0.0000628100000000, -0.0001488300000000, -0.0002196400000000 ] - [ 0.0000840900000000, -0.0001347800000000, -0.0001078600000000 ] - [ 0.0047356700000000, -0.0003791300000000, -0.0086441200000000 ] - [ 0.0091948800000000, -0.0003491200000000, 0.0007082000000000 ] - [ 0.0001993900000000, -0.0000513600000000, 0.0001916300000000 ] - [ 0.0864800200000000, 0.1181178300000000, 0.0841154700000000 ] - [ -0.0003445900000000, -0.0002351700000000, 0.0004443000000000 ] - [ -0.0004200500000000, -0.0002476000000000, -0.0000419200000000 ] - [ -0.0000431100000000, 0.0000292700000000, -0.0000612100000000 ] - [ 0.0000607100000000, 0.0001244600000000, 0.0000698700000000 ] - [ 0.0003139700000000, -0.0000300100000000, 0.0001221200000000 ] - [ -0.0001049200000000, -0.0001317200000000, -0.0000621000000000 ] - [ 0.0002325600000000, -0.0000579100000000, -0.0002379600000000 ] - [ 0.0045489600000000, -0.0000410800000000, 0.0084781000000000 ] - [ 0.0002815600000000, -0.0001251200000000, -0.0000684900000000 ] - [ 0.0001167600000000, 0.0001167700000000, 0.0000607500000000 ] - [ -0.0004185800000000, -0.0001174500000000, 0.0005537400000000 ] - [ 0.0002910800000000, 0.0001895000000000, -0.0000918700000000 ] - [ -0.0381552300000000, 0.0813960200000000, -0.0493101300000000 ] - [ -0.0000349900000000, -0.0001140900000000, -0.0002363700000000 ] - [ 0.0000988000000000, 0.0000922700000000, 0.0005426200000000 ] - [ -0.0003203700000000, 0.0002158400000000, -0.0002364100000000 ] - [ 0.0004050300000000, 0.0000880600000000, 0.0002522200000000 ] - [ -0.0000519000000000, -0.0000429700000000, 0.0000389100000000 ] - [ -0.0003415900000000, -0.0000133800000000, -0.0000550600000000 ] - [ -0.0005038900000000, 0.0000941100000000, 0.0001247800000000 ] - [ -0.0019419200000000, -0.0008510100000000, -0.0004750300000000 ] - [ 0.0000684700000000, 0.0000243800000000, -0.0000451300000000 ] - [ 0.0004023400000000, 0.0000340500000000, 0.0000032500000000 ] - [ 0.0014381200000000, 0.0004802900000000, -0.0005600200000000 ] - [ 0.0001021900000000, -0.0001380800000000, -0.0000815800000000 ] - [ 0.0001569200000000, -0.0000529300000000, 0.0002496800000000 ] - [ -0.0001422900000000, -0.0002283300000000, 0.0004164500000000 ] - [ 0.0000399100000000, 0.0001445900000000, -0.0001967500000000 ] - [ 0.0004710400000000, -0.0001019000000000, 0.0005455100000000 ] - [ 0.0003819800000000, -0.0000408500000000, 0.0003139400000000 ] - [ 0.0090135600000000, -0.0002607500000000, -0.0005106800000000 ] - [ -0.0004558400000000, -0.0002086200000000, 0.0026522800000000 ] - [ 0.0002331300000000, -0.0002721500000000, 0.0003484200000000 ] - [ -0.0029653200000000, 0.0063088800000000, -0.0038236100000000 ] - [ 0.0903291200000000, 0.1198081100000000, -0.0881488900000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003828500000000, 0.0000630800000000, -0.0004511100000000 ] - [ -0.0004687100000000, -0.0001083800000000, 0.0078455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002101500000000 ] - [ 0.0073234500000000, 0.0003397700000000, 0.0016768800000000 ] - [ 0.0009840600000000, -0.0001375700000000, 0.0001682300000000 ] - [ -0.0048603800000000, 0.0004896000000000, 0.0033194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001541900000000 ] - [ -0.0010754600000000, -0.0001038800000000, -0.0000058600000000 ] - [ 0.0011296400000000, -0.0003758300000000, 0.0025872400000000 ] - [ -0.0016135600000000, -0.0007760000000000, -0.0031453600000000 ] - [ 0.0067093000000000, 0.0082078600000000, -0.0217487700000000 ] - [ -0.0001093500000000, 0.0001035000000000, 0.0006461100000000 ] - [ 0.0004687100000000, 0.0001083800000000, 0.0078455800000000 ] - [ -0.0003828500000000, -0.0000630800000000, -0.0004511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0168170600000000 ] - [ 0.0010754600000000, 0.0001038800000000, -0.0000058600000000 ] - [ 0.0048603800000000, -0.0004896000000000, 0.0033194900000000 ] - [ -0.0009840600000000, 0.0001375700000000, 0.0001682300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0487292100000000 ] - [ -0.0073234500000000, -0.0003397700000000, 0.0016768800000000 ] - [ 0.0016135600000000, 0.0007760000000000, -0.0031453600000000 ] - [ -0.0011296400000000, 0.0003758300000000, 0.0025872400000000 ] - [ 0.0001093500000000, -0.0001035000000000, 0.0006461100000000 ] - [ -0.0067093000000000, -0.0082078600000000, -0.0217487700000000 ] - [ -0.0011942700000000, -0.0004699900000000, 0.0015233600000000 ] - [ -0.0003529500000000, 0.0000578300000000, -0.0002245400000000 ] - [ 0.0003705600000000, -0.0000050200000000, 0.0002255000000000 ] - [ 0.0023036900000000, 0.0004361900000000, 0.0097377400000000 ] - [ -0.0354612800000000, -0.0012778400000000, 0.0183206100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4898256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0118726400000000 ] - [ 0.0023945900000000, 0.0001218100000000, -0.0006497000000000 ] - [ -0.0023945900000000, -0.0001218100000000, -0.0006497000000000 ] - [ -0.0023036900000000, -0.0004361900000000, 0.0097377400000000 ] - [ 0.0354612800000000, 0.0012778400000000, 0.0183206100000000 ] - [ 0.0003529500000000, -0.0000578300000000, -0.0002245400000000 ] - [ -0.0003705600000000, 0.0000050200000000, 0.0002255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007146500000000 ] - [ 0.0011942700000000, 0.0004699900000000, 0.0015233600000000 ] - [ -0.0003700300000000, 0.0002672800000000, -0.0001221600000000 ] - [ -0.0023399700000000, -0.0003055000000000, -0.0054223000000000 ] - [ 0.0106405700000000, 0.0053155700000000, 0.0005076600000000 ] - [ 0.0018055200000000, -0.0003341100000000, -0.0001845000000000 ] - [ -0.0070823000000000, 0.0034178000000000, -0.0056275200000000 ] - [ -0.0000282800000000, 0.0000044300000000, -0.0002127400000000 ] - [ 0.0003758800000000, -0.0001156000000000, -0.0075858800000000 ] - [ -0.0012356600000000, 0.0004842000000000, 0.0009515100000000 ] - [ 0.0006966600000000, -0.0001199700000000, -0.0024572100000000 ] - [ -0.0030210600000000, -0.0005176600000000, 0.0023197200000000 ] - [ -0.0481741000000000, 0.0566688900000000, 0.0935591900000000 ] - [ 0.0012316400000000, 0.0003685000000000, -0.0011210500000000 ] - [ 0.0000397700000000, 0.0001144700000000, 0.0000123000000000 ] - [ 0.0005515900000000, 0.0003702800000000, -0.0008916900000000 ] - [ 0.0006905500000000, 0.0014546900000000, -0.0068317100000000 ] - [ -0.0026635500000000, -0.0009063600000000, -0.0043981500000000 ] - [ 0.0001477400000000, -0.0000642100000000, -0.0001140900000000 ] - [ 0.0050721900000000, -0.0010096900000000, -0.0077919900000000 ] - [ 0.0113284100000000, -0.0026388900000000, 0.0039886900000000 ] - [ 0.0003139600000000, -0.0001087200000000, 0.0005107200000000 ] - [ 0.0796549900000000, 0.0802242400000000, 0.1270580200000000 ] - [ -0.0014624000000000, -0.0001726500000000, 0.0012028400000000 ] - [ -0.0016692200000000, -0.0005779900000000, -0.0000642300000000 ] - [ -0.0003768300000000, -0.0000119100000000, -0.0003514500000000 ] - [ 0.0001203000000000, 0.0001351700000000, 0.0002242200000000 ] - [ 0.0002771400000000, -0.0000647000000000, 0.0003058600000000 ] - [ -0.0003466000000000, -0.0001667200000000, -0.0002432400000000 ] - [ 0.0001642500000000, -0.0000662400000000, -0.0004410700000000 ] - [ -0.0050721900000000, 0.0010096900000000, -0.0077919900000000 ] - [ -0.0001203000000000, -0.0001351700000000, 0.0002242200000000 ] - [ 0.0003466000000000, 0.0001667200000000, -0.0002432400000000 ] - [ 0.0016692200000000, 0.0005779900000000, -0.0000642300000000 ] - [ -0.0001477400000000, 0.0000642100000000, -0.0001140900000000 ] - [ 0.0481741000000000, -0.0566688900000000, 0.0935591900000000 ] - [ -0.0000397700000000, -0.0001144700000000, 0.0000123000000000 ] - [ -0.0006966600000000, 0.0001199700000000, -0.0024572100000000 ] - [ 0.0012356600000000, -0.0004842000000000, 0.0009515100000000 ] - [ -0.0005515900000000, -0.0003702800000000, -0.0008916900000000 ] - [ 0.0000282800000000, -0.0000044300000000, -0.0002127400000000 ] - [ 0.0014624000000000, 0.0001726500000000, 0.0012028400000000 ] - [ -0.0003758800000000, 0.0001156000000000, -0.0075858800000000 ] - [ 0.0030210600000000, 0.0005176600000000, 0.0023197200000000 ] - [ -0.0002771400000000, 0.0000647000000000, 0.0003058600000000 ] - [ -0.0003139600000000, 0.0001087200000000, 0.0005107200000000 ] - [ 0.0070823000000000, -0.0034178000000000, -0.0056275200000000 ] - [ 0.0003700300000000, -0.0002672800000000, -0.0001221600000000 ] - [ 0.0003768300000000, 0.0000119100000000, -0.0003514500000000 ] - [ 0.0026635500000000, 0.0009063600000000, -0.0043981500000000 ] - [ -0.0001642500000000, 0.0000662400000000, -0.0004410700000000 ] - [ -0.0012316400000000, -0.0003685000000000, -0.0011210500000000 ] - [ -0.0018055200000000, 0.0003341100000000, -0.0001845000000000 ] - [ -0.0113284100000000, 0.0026388900000000, 0.0039886900000000 ] - [ 0.0023399700000000, 0.0003055000000000, -0.0054223000000000 ] - [ -0.0006905500000000, -0.0014546900000000, -0.0068317100000000 ] - [ -0.0106405700000000, -0.0053155700000000, 0.0005076600000000 ] - [ -0.0796549900000000, -0.0802242400000000, 0.1270580200000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001494400000000, -0.0001232200000000, 0.0006760800000000 ] - [ 0.0002234800000000, 0.0001677800000000, -0.0076305200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001540700000000 ] - [ -0.0072701900000000, -0.0003684500000000, -0.0016148800000000 ] - [ -0.0010527100000000, 0.0001213000000000, -0.0001326700000000 ] - [ 0.0049199400000000, -0.0004825600000000, -0.0032957300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002111000000000 ] - [ 0.0010058200000000, 0.0001196700000000, 0.0000368500000000 ] - [ -0.0011395600000000, 0.0002111100000000, -0.0022184200000000 ] - [ 0.0016228600000000, 0.0009441000000000, 0.0035137300000000 ] - [ -0.0068582500000000, -0.0082797500000000, 0.0220158400000000 ] - [ 0.0003407100000000, -0.0000429300000000, -0.0004228300000000 ] - [ -0.0002234800000000, -0.0001677800000000, -0.0076305200000000 ] - [ 0.0001494400000000, 0.0001232200000000, 0.0006760800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0171815700000000 ] - [ -0.0010058200000000, -0.0001196700000000, 0.0000368500000000 ] - [ -0.0049199400000000, 0.0004825600000000, -0.0032957300000000 ] - [ 0.0010527100000000, -0.0001213000000000, -0.0001326700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0499730600000000 ] - [ 0.0072701900000000, 0.0003684500000000, -0.0016148800000000 ] - [ -0.0016228600000000, -0.0009441000000000, 0.0035137300000000 ] - [ 0.0011395600000000, -0.0002111100000000, -0.0022184200000000 ] - [ -0.0003407100000000, 0.0000429300000000, -0.0004228300000000 ] - [ 0.0068582500000000, 0.0082797500000000, 0.0220158400000000 ] - [ 0.0011902800000000, 0.0002883800000000, -0.0018409500000000 ] - [ 0.0004203100000000, 0.0000358500000000, 0.0001740200000000 ] - [ -0.0003059000000000, -0.0000865000000000, -0.0002731800000000 ] - [ -0.0023838500000000, -0.0005266400000000, -0.0097994600000000 ] - [ 0.0351970800000000, 0.0014976700000000, -0.0184177800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4899987900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0122918600000000 ] - [ -0.0023859500000000, 0.0000674900000000, 0.0003565600000000 ] - [ 0.0023859500000000, -0.0000674900000000, 0.0003565600000000 ] - [ 0.0023838500000000, 0.0005266400000000, -0.0097994600000000 ] - [ -0.0351970800000000, -0.0014976700000000, -0.0184177800000000 ] - [ -0.0004203100000000, -0.0000358500000000, 0.0001740200000000 ] - [ 0.0003059000000000, 0.0000865000000000, -0.0002731800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006727700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003177900000000 ] - [ -0.0011902800000000, -0.0002883800000000, -0.0018409500000000 ] - [ 0.0001422900000000, 0.0000541700000000, -0.0000671000000000 ] - [ 0.0025905200000000, 0.0000485400000000, 0.0054208700000000 ] - [ -0.0103479500000000, -0.0050302700000000, -0.0004892400000000 ] - [ -0.0018027800000000, 0.0004578100000000, 0.0006591700000000 ] - [ 0.0073598900000000, -0.0031372100000000, 0.0054426900000000 ] - [ 0.0002504800000000, 0.0000883000000000, 0.0002939700000000 ] - [ -0.0005904000000000, -0.0000620300000000, 0.0071399300000000 ] - [ 0.0009955100000000, -0.0004825700000000, -0.0008660500000000 ] - [ -0.0004524100000000, 0.0001196700000000, 0.0025526400000000 ] - [ 0.0032319400000000, 0.0005215700000000, -0.0022456500000000 ] - [ 0.0452333700000000, -0.0538261700000000, -0.0912260900000000 ] - [ -0.0012280600000000, -0.0001780600000000, 0.0015179100000000 ] - [ 0.0001744900000000, 0.0000658900000000, -0.0004531400000000 ] - [ -0.0007819400000000, -0.0003721900000000, 0.0009829500000000 ] - [ -0.0009093200000000, -0.0013728500000000, 0.0069277400000000 ] - [ 0.0028451800000000, 0.0009876700000000, 0.0045834000000000 ] - [ -0.0003754100000000, -0.0002585300000000, -0.0000739600000000 ] - [ -0.0048262100000000, 0.0006708400000000, 0.0076398000000000 ] - [ -0.0112069000000000, 0.0025472400000000, -0.0037875800000000 ] - [ -0.0004825300000000, 0.0000304700000000, -0.0003315400000000 ] - [ -0.0836025100000000, -0.0836643100000000, -0.1296752600000000 ] - [ 0.0014613200000000, -0.0000226000000000, -0.0008172900000000 ] - [ 0.0016730100000000, 0.0004556900000000, 0.0005257900000000 ] - [ 0.0002122600000000, 0.0000900800000000, 0.0005283400000000 ] - [ -0.0003517000000000, 0.0001341000000000, -0.0002337500000000 ] - [ -0.0000564000000000, -0.0000273200000000, -0.0002236500000000 ] - [ 0.0001164700000000, -0.0001012000000000, 0.0002324400000000 ] - [ 0.0000503900000000, -0.0001136200000000, -0.0000000900000000 ] - [ 0.0048262100000000, -0.0006708400000000, 0.0076398000000000 ] - [ 0.0003517000000000, -0.0001341000000000, -0.0002337500000000 ] - [ -0.0001164700000000, 0.0001012000000000, 0.0002324400000000 ] - [ -0.0016730100000000, -0.0004556900000000, 0.0005257900000000 ] - [ 0.0003754100000000, 0.0002585300000000, -0.0000739600000000 ] - [ -0.0452333700000000, 0.0538261700000000, -0.0912260900000000 ] - [ -0.0001744900000000, -0.0000658900000000, -0.0004531400000000 ] - [ 0.0004524100000000, -0.0001196700000000, 0.0025526400000000 ] - [ -0.0009955100000000, 0.0004825700000000, -0.0008660500000000 ] - [ 0.0007819400000000, 0.0003721900000000, 0.0009829500000000 ] - [ -0.0002504800000000, -0.0000883000000000, 0.0002939700000000 ] - [ -0.0014613200000000, 0.0000226000000000, -0.0008172900000000 ] - [ 0.0005904000000000, 0.0000620300000000, 0.0071399300000000 ] - [ -0.0032319400000000, -0.0005215700000000, -0.0022456500000000 ] - [ 0.0000564000000000, 0.0000273200000000, -0.0002236500000000 ] - [ 0.0004825300000000, -0.0000304700000000, -0.0003315400000000 ] - [ -0.0073598900000000, 0.0031372100000000, 0.0054426900000000 ] - [ -0.0001422900000000, -0.0000541700000000, -0.0000671000000000 ] - [ -0.0002122600000000, -0.0000900800000000, 0.0005283400000000 ] - [ -0.0028451800000000, -0.0009876700000000, 0.0045834000000000 ] - [ -0.0000503900000000, 0.0001136200000000, -0.0000000900000000 ] - [ 0.0012280600000000, 0.0001780600000000, 0.0015179100000000 ] - [ 0.0018027800000000, -0.0004578100000000, 0.0006591700000000 ] - [ 0.0112069000000000, -0.0025472400000000, -0.0037875800000000 ] - [ -0.0025905200000000, -0.0000485400000000, 0.0054208700000000 ] - [ 0.0009093200000000, 0.0013728500000000, 0.0069277400000000 ] - [ 0.0103479500000000, 0.0050302700000000, -0.0004892400000000 ] - [ 0.0836025100000000, 0.0836643100000000, -0.1296752600000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0117906500000000, 0.0004184300000000, 0.0023109500000000 ] - [ -0.0014550300000000, 0.0001632300000000, 0.0006764600000000 ] - [ -0.0007788300000000, -0.0057021500000000, -0.0018572900000000 ] - [ -0.0031901300000000, -0.0001479100000000, 0.0005697000000000 ] - [ 0.0201883100000000, -0.0089516800000000, -0.0032803500000000 ] - [ -0.0006258300000000, -0.0000165100000000, 0.0000436700000000 ] - [ 0.0022748100000000, 0.0000455400000000, -0.0001679200000000 ] - [ 0.0028143200000000, 0.0000283500000000, 0.0008370600000000 ] - [ -0.0022449700000000, -0.0011599800000000, 0.0029612100000000 ] - [ -0.0000075500000000, -0.0001463400000000, -0.0029708000000000 ] - [ -0.0021745700000000, -0.0000270300000000, -0.0005017100000000 ] - [ 0.0070760000000000, 0.0008928300000000, 0.0011106900000000 ] - [ -0.0015571600000000, 0.0000090800000000, 0.0001143600000000 ] - [ -0.0022799200000000, 0.0006455400000000, 0.0018149300000000 ] - [ -0.0016602900000000, -0.0000481500000000, -0.0001746800000000 ] - [ -0.0011586400000000, -0.0000900700000000, 0.0001988100000000 ] - [ -0.0017303300000000, 0.0001488200000000, -0.0001902000000000 ] - [ -0.0025747700000000, 0.0002457000000000, 0.0001932300000000 ] - [ -0.0020689400000000, 0.0000853400000000, -0.0001825600000000 ] - [ -0.0020059700000000, -0.0001855800000000, -0.0002573600000000 ] - [ -0.0017222500000000, -0.0001352500000000, 0.0005021600000000 ] - [ -0.0019087900000000, 0.0000605100000000, -0.0000998200000000 ] - [ -0.0010225200000000, -0.0000978700000000, -0.0011216200000000 ] - [ -0.0016599300000000, 0.0000028800000000, 0.0001359000000000 ] - [ 0.0004860300000000, 0.0003492800000000, 0.0003685100000000 ] - [ 0.0057804200000000, 0.0001353800000000, 0.0008103800000000 ] - [ 0.0493465400000000, 0.0106099100000000, -0.0256028500000000 ] - [ -0.0024969600000000, -0.0000442400000000, 0.0004610500000000 ] - [ -0.0017110400000000, 0.0001556300000000, -0.0001867400000000 ] - [ -0.0023669900000000, -0.0000029100000000, -0.0004394400000000 ] - [ -0.0024086700000000, -0.0001877400000000, 0.0000799200000000 ] - [ -0.0040884700000000, -0.0021417900000000, -0.0024250300000000 ] - [ -0.0023401300000000, -0.0000983700000000, -0.0001084100000000 ] - [ -0.0021178900000000, -0.0000111200000000, -0.0001748100000000 ] - [ -0.0019881100000000, 0.0000132600000000, -0.0001510300000000 ] - [ -0.0008829700000000, -0.0002190500000000, 0.0008470000000000 ] - [ -0.0025211100000000, 0.0006922300000000, -0.0020510400000000 ] - [ -0.0002762200000000, 0.0046574300000000, -0.0051383300000000 ] - [ 0.0022855600000000, -0.0015431100000000, 0.0070343900000000 ] - [ -0.0018400300000000, 0.0000653600000000, -0.0002286700000000 ] - [ -0.0727599800000000, 0.0033465600000000, 0.0310584100000000 ] - [ 0.0015803700000000, -0.0002239000000000, -0.0004131900000000 ] - [ 0.0009816000000000, 0.0001622900000000, 0.0001621800000000 ] - [ -0.0005619300000000, -0.0002971300000000, 0.0005891700000000 ] - [ 0.0016783900000000, 0.0002872800000000, -0.0001600400000000 ] - [ -0.0001183400000000, -0.0025744000000000, 0.0224441300000000 ] - [ 0.0011208100000000, -0.0004430700000000, -0.0003785500000000 ] - [ 0.0002882100000000, 0.0013044800000000, 0.0051567200000000 ] - [ 0.0004492900000000, 0.0002987500000000, -0.0005963000000000 ] - [ 0.0022510900000000, 0.0005930500000000, 0.0012901800000000 ] - [ 0.0012854400000000, -0.0001728500000000, -0.0002312400000000 ] - [ -0.0000641500000000, -0.0000216800000000, -0.0008689800000000 ] - [ -0.0031685200000000, 0.0018384000000000, -0.0057447500000000 ] - [ -0.0018425800000000, 0.0003188800000000, -0.0009704200000000 ] - [ 0.0016466100000000, 0.0000932900000000, -0.0006963400000000 ] - [ 0.0018676500000000, 0.0000399900000000, -0.0003544600000000 ] - [ -0.0028838800000000, -0.0001354500000000, -0.0002955600000000 ] - [ 0.0009805100000000, -0.0000622500000000, -0.0000262400000000 ] - [ 0.0012834600000000, -0.0001665600000000, 0.0008182100000000 ] - [ -0.0035810100000000, -0.0003473500000000, 0.0016965300000000 ] - [ 0.0013567600000000, 0.0005414800000000, -0.0000568900000000 ] - [ 0.0042111700000000, 0.0000281200000000, 0.0017526300000000 ] - [ 0.0037368900000000, -0.0015912800000000, -0.0004996400000000 ] - [ 0.0015088000000000, 0.0006922300000000, -0.0246790100000000 ] - [ -0.0027766000000000, 0.0006443600000000, -0.0000987700000000 ] - [ -0.0036723500000000, -0.0006652700000000, -0.0031432900000000 ] - [ -0.0139511300000000, -0.0014044700000000, 0.0000102500000000 ] - [ -0.0027821400000000, -0.0025545700000000, 0.0011707700000000 ] - [ 0.0010066100000000, 0.0001608500000000, -0.0001216000000000 ] - [ 0.0004698400000000, -0.0002196300000000, -0.0007866800000000 ] - [ 0.0019855700000000, -0.0000789700000000, 0.0010018600000000 ] - [ 0.0014939600000000, -0.0000049500000000, 0.0002778800000000 ] - [ 0.0002726700000000, 0.0003836700000000, -0.0001317300000000 ] - [ 0.0016304100000000, -0.0000076900000000, 0.0005859300000000 ] - [ 0.0034098100000000, 0.0016426000000000, -0.0050451800000000 ] - [ 0.0014203200000000, -0.0000014200000000, -0.0000637800000000 ] - [ 0.0020559900000000, -0.0000582800000000, -0.0000081200000000 ] - [ 0.0015157600000000, 0.0000589600000000, 0.0004468500000000 ] - [ -0.0000154600000000, 0.0001054800000000, 0.0021599900000000 ] - [ 0.0013842100000000, 0.0000932800000000, 0.0001085000000000 ] - [ 0.0014094200000000, -0.0002890300000000, -0.0002854800000000 ] - [ 0.0016714400000000, 0.0000850900000000, -0.0002167800000000 ] - [ -0.0002158100000000, 0.0005093800000000, -0.0018458400000000 ] - [ 0.0010729000000000, -0.0000857800000000, -0.0003081700000000 ] - [ 0.0011353300000000, -0.0001552500000000, -0.0001043300000000 ] - [ 0.0027158700000000, 0.0003117700000000, 0.0001027700000000 ] - [ 0.0017301600000000, -0.0003109600000000, 0.0009745800000000 ] - [ 0.0015024100000000, 0.0000340900000000, -0.0000546000000000 ] - [ 0.0002604300000000, -0.0002767400000000, 0.0017492400000000 ] - [ 0.0010407900000000, -0.0000853700000000, 0.0002879500000000 ] - [ 0.0010952100000000, -0.0001077300000000, 0.0001881300000000 ] - [ 0.0014278600000000, -0.0000287000000000, -0.0001379900000000 ] - [ 0.0010904800000000, 0.0000973100000000, 0.0001045200000000 ] - [ 0.0017027600000000, -0.0000042000000000, 0.0004832700000000 ] - [ 0.0009847700000000, -0.0000952300000000, 0.0000814100000000 ] - [ 0.0015041900000000, 0.0003306300000000, -0.0001378000000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0115796000000000, -0.0004907900000000, -0.0021118200000000 ] - [ 0.0012273700000000, -0.0001056800000000, -0.0004482900000000 ] - [ 0.0005051000000000, 0.0055385300000000, 0.0014419600000000 ] - [ 0.0032497600000000, 0.0001324500000000, -0.0005336100000000 ] - [ -0.0196198300000000, 0.0082140900000000, 0.0032102600000000 ] - [ 0.0007004400000000, 0.0000307200000000, -0.0000155000000000 ] - [ -0.0022819800000000, -0.0000466400000000, -0.0001962200000000 ] - [ -0.0028733200000000, -0.0000134900000000, -0.0008091800000000 ] - [ 0.0022685500000000, 0.0009981000000000, -0.0025785300000000 ] - [ 0.0000115800000000, 0.0003144300000000, 0.0033235200000000 ] - [ 0.0019402400000000, -0.0000302900000000, 0.0007174700000000 ] - [ -0.0068374700000000, -0.0008305100000000, -0.0009283200000000 ] - [ 0.0017895800000000, -0.0000663100000000, 0.0001113400000000 ] - [ 0.0020494500000000, -0.0005899300000000, -0.0016023100000000 ] - [ 0.0016609500000000, 0.0000486500000000, -0.0001795900000000 ] - [ 0.0012203100000000, 0.0000752800000000, -0.0001676800000000 ] - [ 0.0016621000000000, -0.0001646400000000, 0.0002213200000000 ] - [ 0.0026482600000000, -0.0002311200000000, -0.0001601400000000 ] - [ 0.0020670600000000, -0.0000856100000000, -0.0001726100000000 ] - [ 0.0019381800000000, 0.0002005300000000, 0.0002879000000000 ] - [ 0.0017226600000000, -0.0000313500000000, -0.0001339400000000 ] - [ 0.0019083300000000, 0.0001071100000000, 0.0004736100000000 ] - [ 0.0007833000000000, 0.0000367600000000, 0.0013540100000000 ] - [ 0.0018904900000000, 0.0000544700000000, 0.0000851600000000 ] - [ -0.0004709100000000, -0.0005356400000000, -0.0006858300000000 ] - [ -0.0057090400000000, -0.0000377100000000, -0.0008690800000000 ] - [ -0.0497197300000000, -0.0111024400000000, 0.0264169300000000 ] - [ 0.0024311400000000, -0.0000434900000000, -0.0005055600000000 ] - [ 0.0016436600000000, -0.0000598200000000, 0.0001347200000000 ] - [ 0.0023643600000000, 0.0000005900000000, 0.0000359200000000 ] - [ 0.0024091800000000, 0.0001872000000000, -0.0004740700000000 ] - [ 0.0040746100000000, 0.0023058100000000, 0.0020957500000000 ] - [ 0.0023441800000000, -0.0000867600000000, -0.0002038900000000 ] - [ 0.0021857400000000, 0.0001029900000000, 0.0001260300000000 ] - [ 0.0020554900000000, -0.0001027400000000, 0.0001004900000000 ] - [ 0.0008113500000000, 0.0001241700000000, -0.0009044200000000 ] - [ 0.0024584800000000, -0.0006048800000000, 0.0020234200000000 ] - [ 0.0002229400000000, -0.0046279300000000, 0.0047298100000000 ] - [ -0.0023207100000000, 0.0015631700000000, -0.0074420100000000 ] - [ 0.0018366800000000, 0.0001182800000000, -0.0000863600000000 ] - [ 0.0725467100000000, -0.0015488900000000, -0.0317537900000000 ] - [ -0.0013519000000000, -0.0000363400000000, 0.0004034200000000 ] - [ -0.0007564700000000, 0.0000998400000000, -0.0001641600000000 ] - [ 0.0005568200000000, 0.0004203400000000, -0.0001043500000000 ] - [ -0.0014538900000000, 0.0000345000000000, -0.0000350100000000 ] - [ 0.0004204300000000, 0.0026213100000000, -0.0224342800000000 ] - [ -0.0013216600000000, 0.0002480200000000, -0.0000590500000000 ] - [ -0.0005214600000000, -0.0012915600000000, -0.0050426400000000 ] - [ -0.0002291300000000, -0.0002996000000000, 0.0006717900000000 ] - [ -0.0020228000000000, -0.0005893700000000, -0.0012070500000000 ] - [ -0.0015069400000000, 0.0000776200000000, 0.0003136900000000 ] - [ 0.0000595800000000, 0.0002220300000000, 0.0012608400000000 ] - [ 0.0034083400000000, -0.0016556300000000, 0.0053252400000000 ] - [ 0.0016017000000000, -0.0003197500000000, 0.0010556600000000 ] - [ -0.0018656900000000, 0.0000062200000000, 0.0007704100000000 ] - [ -0.0016941000000000, 0.0000374700000000, 0.0005299500000000 ] - [ 0.0026615600000000, -0.0001889600000000, 0.0001110300000000 ] - [ -0.0007609900000000, -0.0002586400000000, -0.0001707000000000 ] - [ -0.0011039400000000, 0.0000883400000000, -0.0006260100000000 ] - [ 0.0033966700000000, 0.0002729300000000, -0.0015093900000000 ] - [ -0.0015551300000000, -0.0003447000000000, -0.0003737800000000 ] - [ -0.0041762500000000, -0.0002321500000000, -0.0013514200000000 ] - [ -0.0037134600000000, 0.0014535200000000, 0.0009619400000000 ] - [ -0.0017228300000000, -0.0006499200000000, 0.0246563000000000 ] - [ 0.0025481500000000, -0.0003924900000000, 0.0000885500000000 ] - [ 0.0039009600000000, 0.0005711200000000, 0.0032275000000000 ] - [ 0.0137059800000000, 0.0010742400000000, 0.0000747600000000 ] - [ 0.0029928500000000, 0.0023585200000000, -0.0015895200000000 ] - [ -0.0012272500000000, 0.0001597600000000, -0.0000762600000000 ] - [ -0.0002381800000000, -0.0000444100000000, 0.0007845400000000 ] - [ -0.0017604600000000, 0.0003402700000000, -0.0010201100000000 ] - [ -0.0014939500000000, 0.0001281000000000, 0.0002029800000000 ] - [ -0.0000457100000000, -0.0000637100000000, -0.0000624400000000 ] - [ -0.0014084700000000, 0.0001030200000000, -0.0005049100000000 ] - [ -0.0036332300000000, -0.0018616900000000, 0.0046591900000000 ] - [ -0.0016462300000000, 0.0000023600000000, 0.0001411300000000 ] - [ -0.0018288800000000, 0.0000551000000000, 0.0000887200000000 ] - [ -0.0012857500000000, -0.0000570500000000, -0.0003704200000000 ] - [ -0.0001843400000000, -0.0002143800000000, -0.0021059000000000 ] - [ -0.0013828700000000, 0.0001086400000000, 0.0002842700000000 ] - [ -0.0012102700000000, 0.0004862600000000, -0.0001507400000000 ] - [ -0.0018963500000000, -0.0000869500000000, 0.0002961600000000 ] - [ 0.0000056100000000, -0.0004174300000000, 0.0019277200000000 ] - [ -0.0008917800000000, 0.0001649800000000, 0.0004962700000000 ] - [ -0.0013548000000000, -0.0001655100000000, -0.0000903900000000 ] - [ -0.0025088500000000, -0.0006371900000000, -0.0002951200000000 ] - [ -0.0015536700000000, 0.0002352000000000, -0.0007972700000000 ] - [ -0.0016775300000000, -0.0001105800000000, 0.0002379900000000 ] - [ -0.0004423100000000, 0.0004729800000000, -0.0021751400000000 ] - [ -0.0010389300000000, -0.0001159300000000, 0.0001004500000000 ] - [ -0.0010938100000000, -0.0000149800000000, 0.0002884100000000 ] - [ -0.0016019700000000, 0.0001072000000000, 0.0003237200000000 ] - [ -0.0013156300000000, 0.0001628300000000, -0.0001110400000000 ] - [ -0.0014817600000000, -0.0000895300000000, -0.0004061200000000 ] - [ -0.0012106400000000, -0.0001648700000000, -0.0000864400000000 ] - [ -0.0013040200000000, -0.0005260300000000, -0.0002897900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016780600000000, 0.0066264500000000, 0.0081166900000000 ] - [ -0.0002344500000000, -0.0000099500000000, -0.0000905800000000 ] - [ -0.0034261200000000, -0.0020593500000000, -0.0022549600000000 ] - [ 0.0006896300000000, 0.0000692100000000, 0.0000208900000000 ] - [ -0.0112938400000000, 0.0074355500000000, 0.0013365600000000 ] - [ -0.0002851700000000, 0.0000512800000000, 0.0000923200000000 ] - [ 0.0006857400000000, 0.0000602800000000, 0.0004264600000000 ] - [ -0.0005464200000000, 0.0001207800000000, 0.0001098300000000 ] - [ -0.0010051800000000, -0.0001575000000000, -0.0005975600000000 ] - [ -0.0002521300000000, -0.0002870500000000, 0.0008947500000000 ] - [ -0.0000354400000000, -0.0000295100000000, 0.0003005300000000 ] - [ -0.0002568600000000, -0.0010402400000000, 0.0020350900000000 ] - [ 0.0001377400000000, -0.0000282200000000, 0.0000867800000000 ] - [ -0.0003604700000000, 0.0001526900000000, 0.0004073200000000 ] - [ -0.0000537200000000, -0.0000048300000000, -0.0001748800000000 ] - [ 0.0001959100000000, -0.0000047200000000, 0.0001375600000000 ] - [ -0.0000050800000000, -0.0000126700000000, 0.0000366600000000 ] - [ -0.0002101000000000, 0.0000144200000000, -0.0001116800000000 ] - [ 0.0000645600000000, -0.0000059700000000, -0.0001632100000000 ] - [ -0.0000510300000000, 0.0000026600000000, -0.0000024200000000 ] - [ -0.0000228600000000, -0.0000952800000000, 0.0002665100000000 ] - [ 0.0000352400000000, 0.0000845200000000, 0.0001108300000000 ] - [ 0.0003731100000000, -0.0000143200000000, -0.0001161400000000 ] - [ 0.0001065300000000, 0.0000349300000000, 0.0001402200000000 ] - [ -0.0008967200000000, -0.0002558800000000, 0.0000169200000000 ] - [ 0.0001682000000000, -0.0004973700000000, 0.0011800000000000 ] - [ 0.0100678400000000, 0.0697866200000000, -0.0789390600000000 ] - [ 0.0001528800000000, -0.0000938700000000, -0.0001293900000000 ] - [ -0.0001726200000000, 0.0000449500000000, 0.0000558200000000 ] - [ -0.0000170300000000, 0.0000228200000000, -0.0001261500000000 ] - [ 0.0000168600000000, 0.0000280800000000, -0.0003269100000000 ] - [ -0.0019661000000000, 0.0010188000000000, 0.0017531500000000 ] - [ -0.0001028600000000, -0.0000989300000000, -0.0001953200000000 ] - [ 0.0000612200000000, 0.0000547800000000, -0.0000382700000000 ] - [ 0.0000369500000000, -0.0000418500000000, 0.0000021600000000 ] - [ -0.0000427500000000, -0.0000466000000000, 0.0004783000000000 ] - [ 0.0006468700000000, 0.0002190800000000, -0.0009844200000000 ] - [ 0.0024772800000000, -0.0001800700000000, 0.0006048400000000 ] - [ -0.0007124800000000, 0.0006297900000000, 0.0030400700000000 ] - [ 0.0000953800000000, 0.0001161800000000, -0.0001037000000000 ] - [ 0.0019542900000000, -0.1116111700000000, 0.0838862100000000 ] - [ -0.0000258100000000, -0.0001140700000000, 0.0001024800000000 ] - [ 0.0001941000000000, 0.0001301000000000, -0.0000706400000000 ] - [ 0.0003919400000000, 0.0001089000000000, 0.0000535300000000 ] - [ -0.0000237600000000, 0.0001135600000000, -0.0000920700000000 ] - [ 0.0006273100000000, -0.0046949100000000, -0.0001792500000000 ] - [ -0.0000663500000000, -0.0001137700000000, -0.0001670200000000 ] - [ 0.0030578100000000, 0.0033520400000000, 0.0000705500000000 ] - [ 0.0005623900000000, -0.0000706900000000, 0.0002261000000000 ] - [ 0.0003607400000000, -0.0003197200000000, -0.0005737800000000 ] - [ -0.0000583100000000, -0.0000254800000000, -0.0000315600000000 ] - [ 0.0003757400000000, 0.0001938000000000, 0.0002147900000000 ] - [ 0.0012748700000000, 0.0099907500000000, -0.0029352500000000 ] - [ 0.0009602100000000, -0.0002284300000000, -0.0003933800000000 ] - [ -0.0001931600000000, 0.0000453500000000, 0.0001222800000000 ] - [ 0.0000183200000000, 0.0000998500000000, 0.0003696300000000 ] - [ -0.0001286900000000, 0.0001960000000000, -0.0010646000000000 ] - [ 0.0001984700000000, -0.0001878400000000, -0.0001057900000000 ] - [ 0.0002496600000000, -0.0000153100000000, -0.0000385000000000 ] - [ 0.0003461200000000, -0.0007086300000000, -0.0005606200000000 ] - [ -0.0001178000000000, 0.0000936400000000, -0.0002842900000000 ] - [ -0.0008859200000000, -0.0011421700000000, -0.0006083500000000 ] - [ -0.0022243500000000, 0.0028920000000000, 0.0006843400000000 ] - [ -0.0020014900000000, -0.0065002800000000, 0.0022392800000000 ] - [ -0.0003838000000000, 0.0012260300000000, 0.0005774900000000 ] - [ -0.0006290400000000, -0.0002858500000000, -0.0006749400000000 ] - [ 0.0020092300000000, 0.0264728300000000, -0.0162137500000000 ] - [ -0.0008096600000000, -0.0007440600000000, -0.0009763800000000 ] - [ -0.0001021200000000, 0.0001641700000000, -0.0001075100000000 ] - [ 0.0000356300000000, -0.0001806600000000, -0.0003193500000000 ] - [ 0.0002117900000000, -0.0002610000000000, 0.0005180400000000 ] - [ 0.0000355800000000, 0.0000490800000000, 0.0003204100000000 ] - [ -0.0001212300000000, 0.0002539400000000, -0.0004045200000000 ] - [ 0.0001338900000000, 0.0000275600000000, 0.0000123300000000 ] - [ 0.0007508200000000, -0.0003487400000000, -0.0014366000000000 ] - [ -0.0001591400000000, 0.0000051200000000, 0.0000319800000000 ] - [ 0.0002508200000000, 0.0000117500000000, 0.0000053300000000 ] - [ -0.0000486800000000, 0.0000136600000000, 0.0000190000000000 ] - [ -0.0012475400000000, 0.0003850500000000, 0.0008740200000000 ] - [ 0.0000479300000000, 0.0001025700000000, 0.0001980300000000 ] - [ 0.0000994800000000, 0.0000990200000000, -0.0001936400000000 ] - [ -0.0000585400000000, 0.0000066900000000, 0.0000119700000000 ] - [ 0.0000557800000000, -0.0000271200000000, -0.0008092400000000 ] - [ 0.0000897400000000, 0.0000012100000000, -0.0001099500000000 ] - [ -0.0001066100000000, -0.0001550000000000, -0.0000925100000000 ] - [ 0.0005742900000000, 0.0005375300000000, 0.0001352400000000 ] - [ -0.0000340200000000, -0.0001193500000000, 0.0003731000000000 ] - [ -0.0001197000000000, -0.0000409800000000, 0.0001219400000000 ] - [ -0.0008657000000000, 0.0000084200000000, -0.0003092800000000 ] - [ -0.0000461200000000, -0.0001178400000000, 0.0001873400000000 ] - [ -0.0000385400000000, -0.0000756100000000, 0.0002087200000000 ] - [ -0.0000953400000000, 0.0000390300000000, 0.0000726500000000 ] - [ -0.0001153700000000, 0.0001170200000000, 0.0000184800000000 ] - [ 0.0001144700000000, -0.0000280300000000, 0.0000691000000000 ] - [ -0.0001071200000000, -0.0001262900000000, -0.0000126200000000 ] - [ 0.0000918900000000, -0.0001033600000000, -0.0002545700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014117300000000, -0.0066627300000000, -0.0076378200000000 ] - [ -0.0000033700000000, 0.0000722900000000, 0.0003252400000000 ] - [ 0.0033086600000000, 0.0019012200000000, 0.0018756100000000 ] - [ -0.0006343900000000, -0.0000902000000000, 0.0000160300000000 ] - [ 0.0118762800000000, -0.0079761400000000, -0.0014123700000000 ] - [ 0.0003502400000000, -0.0000373700000000, -0.0000619000000000 ] - [ -0.0006852600000000, -0.0000607700000000, -0.0007897900000000 ] - [ 0.0004852400000000, -0.0001058200000000, -0.0000899200000000 ] - [ 0.0010334300000000, 0.0000050900000000, 0.0009795100000000 ] - [ 0.0002450100000000, 0.0004546800000000, -0.0005390300000000 ] - [ -0.0002092800000000, -0.0000369900000000, -0.0000784300000000 ] - [ 0.0004939100000000, 0.0010719300000000, -0.0018011200000000 ] - [ 0.0001050700000000, -0.0000392900000000, 0.0001461900000000 ] - [ 0.0001218700000000, -0.0000863500000000, -0.0001817600000000 ] - [ 0.0000515000000000, 0.0000051100000000, -0.0001723300000000 ] - [ -0.0001384900000000, -0.0000093100000000, -0.0001050700000000 ] - [ -0.0000575500000000, -0.0000036100000000, -0.0000022800000000 ] - [ 0.0002724900000000, -0.0000014400000000, 0.0001473900000000 ] - [ -0.0000682400000000, 0.0000049000000000, -0.0001876800000000 ] - [ -0.0000114400000000, 0.0000114500000000, 0.0000344800000000 ] - [ 0.0000246400000000, -0.0000763800000000, 0.0001011300000000 ] - [ -0.0000374500000000, 0.0000859100000000, 0.0002627800000000 ] - [ -0.0006193000000000, -0.0000565100000000, 0.0003499300000000 ] - [ 0.0001305500000000, 0.0000279600000000, 0.0000847900000000 ] - [ 0.0009037700000000, 0.0000410800000000, -0.0003248200000000 ] - [ -0.0000780300000000, 0.0005954200000000, -0.0012423800000000 ] - [ -0.0096942900000000, -0.0698264200000000, 0.0766330900000000 ] - [ -0.0002386700000000, 0.0000053100000000, 0.0000957100000000 ] - [ 0.0000820800000000, 0.0000535500000000, -0.0000971900000000 ] - [ 0.0000119600000000, -0.0000257700000000, -0.0003179600000000 ] - [ -0.0000214100000000, -0.0000257100000000, -0.0001077900000000 ] - [ 0.0019605300000000, -0.0007850400000000, -0.0020618700000000 ] - [ 0.0001069200000000, -0.0001106300000000, -0.0001065600000000 ] - [ 0.0000260700000000, 0.0000417200000000, -0.0000004400000000 ] - [ 0.0000474900000000, -0.0000508700000000, -0.0000412600000000 ] - [ -0.0000391200000000, -0.0000585700000000, -0.0005238700000000 ] - [ -0.0007365300000000, -0.0001232900000000, 0.0009566200000000 ] - [ -0.0025207400000000, 0.0002427100000000, -0.0010531900000000 ] - [ 0.0007363400000000, -0.0006550500000000, -0.0034912600000000 ] - [ -0.0001008600000000, 0.0000915100000000, -0.0001987700000000 ] - [ -0.0029391700000000, 0.1125062400000000, -0.0820096600000000 ] - [ 0.0002451800000000, -0.0001295000000000, -0.0001020200000000 ] - [ 0.0000229600000000, 0.0001149800000000, 0.0000780700000000 ] - [ -0.0003921200000000, 0.0000190100000000, 0.0004725500000000 ] - [ 0.0002306000000000, 0.0002058000000000, -0.0001024300000000 ] - [ -0.0002974000000000, 0.0046942800000000, 0.0004285900000000 ] - [ -0.0001280400000000, -0.0000886700000000, -0.0002809500000000 ] - [ -0.0032455700000000, -0.0033691400000000, 0.0000084400000000 ] - [ -0.0003516000000000, 0.0000696500000000, -0.0001773300000000 ] - [ -0.0001372500000000, 0.0003206200000000, 0.0006265500000000 ] - [ -0.0001903000000000, -0.0000320300000000, 0.0001119400000000 ] - [ -0.0003822000000000, 0.0000235700000000, 0.0001782600000000 ] - [ -0.0011526200000000, -0.0098188100000000, 0.0025864800000000 ] - [ -0.0011796900000000, 0.0002268000000000, 0.0004461300000000 ] - [ -0.0000552900000000, 0.0000144500000000, -0.0000486000000000 ] - [ 0.0001777400000000, -0.0000214300000000, -0.0001869300000000 ] - [ -0.0000775000000000, -0.0005148200000000, 0.0008781800000000 ] - [ 0.0000048000000000, -0.0001344300000000, -0.0000974000000000 ] - [ -0.0000419300000000, -0.0000658300000000, 0.0002390300000000 ] - [ -0.0005479800000000, 0.0006239800000000, 0.0007647800000000 ] - [ -0.0000735600000000, 0.0001094900000000, -0.0001545700000000 ] - [ 0.0008811600000000, 0.0009308800000000, 0.0009989400000000 ] - [ 0.0022547000000000, -0.0030599100000000, -0.0001819900000000 ] - [ 0.0016916100000000, 0.0065652600000000, -0.0018775600000000 ] - [ 0.0001650100000000, -0.0009856600000000, -0.0005702200000000 ] - [ 0.0008753900000000, 0.0002333700000000, 0.0007654300000000 ] - [ -0.0022177400000000, -0.0265204800000000, 0.0158600600000000 ] - [ 0.0010057200000000, 0.0005288600000000, 0.0005380000000000 ] - [ -0.0001037600000000, 0.0001558900000000, -0.0000943400000000 ] - [ 0.0001840000000000, -0.0000661900000000, 0.0003252700000000 ] - [ 0.0000110500000000, 0.0005059800000000, -0.0005219000000000 ] - [ -0.0000362700000000, 0.0000785000000000, 0.0002013400000000 ] - [ 0.0003279600000000, 0.0000658800000000, 0.0002084200000000 ] - [ 0.0001167400000000, 0.0000299400000000, 0.0000692200000000 ] - [ -0.0009448400000000, 0.0001610900000000, 0.0009970300000000 ] - [ -0.0000572900000000, -0.0000066500000000, 0.0000174700000000 ] - [ -0.0000362800000000, -0.0000134700000000, 0.0000452500000000 ] - [ 0.0002648400000000, -0.0000125000000000, 0.0000305100000000 ] - [ 0.0010059400000000, -0.0004585300000000, -0.0008108500000000 ] - [ -0.0000464400000000, 0.0001173600000000, 0.0001903100000000 ] - [ 0.0000937800000000, 0.0001047500000000, -0.0002525900000000 ] - [ -0.0001553100000000, -0.0000077100000000, 0.0000375000000000 ] - [ -0.0003179400000000, 0.0000884100000000, 0.0008989700000000 ] - [ 0.0001124300000000, 0.0000799500000000, 0.0003057900000000 ] - [ -0.0000985900000000, -0.0001660500000000, -0.0001065800000000 ] - [ -0.0003743300000000, -0.0008657700000000, -0.0003330800000000 ] - [ 0.0002357700000000, 0.0000392700000000, -0.0001865100000000 ] - [ -0.0000838500000000, -0.0000379600000000, 0.0000677900000000 ] - [ 0.0006900700000000, 0.0001900100000000, -0.0001200900000000 ] - [ 0.0000460800000000, -0.0001047000000000, 0.0001966800000000 ] - [ 0.0000377400000000, -0.0000514700000000, 0.0003067500000000 ] - [ -0.0001073900000000, 0.0000420900000000, 0.0001225500000000 ] - [ -0.0001019600000000, 0.0001245700000000, -0.0000155500000000 ] - [ 0.0001365700000000, -0.0000256700000000, 0.0000092500000000 ] - [ -0.0001117500000000, -0.0001199800000000, 0.0000168700000000 ] - [ 0.0001001900000000, -0.0001011800000000, -0.0001789300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020484200000000, 0.0075049900000000, 0.0201436700000000 ] - [ 0.0005481700000000, 0.0000557300000000, 0.0000760200000000 ] - [ -0.0026028400000000, -0.0012962600000000, 0.0141834100000000 ] - [ -0.0002985000000000, 0.0000283400000000, 0.0015265300000000 ] - [ 0.0006731900000000, 0.0001639300000000, 0.0160551500000000 ] - [ 0.0003269600000000, -0.0000072300000000, -0.0011213100000000 ] - [ 0.0012464900000000, -0.0000618800000000, -0.0060431700000000 ] - [ -0.0016315600000000, -0.0003019900000000, -0.0058145300000000 ] - [ 0.0061909300000000, 0.0020958500000000, -0.0005199900000000 ] - [ -0.0034825300000000, 0.0002886700000000, -0.0013193500000000 ] - [ -0.0008039600000000, 0.0000406200000000, 0.0000323700000000 ] - [ 0.0002607100000000, -0.0028706000000000, -0.0085089900000000 ] - [ 0.0001356400000000, -0.0000462700000000, 0.0001045800000000 ] - [ 0.0026559600000000, -0.0004587000000000, 0.0002139000000000 ] - [ 0.0000232300000000, 0.0000007000000000, -0.0003763500000000 ] - [ -0.0000276900000000, 0.0001234500000000, -0.0010984900000000 ] - [ -0.0000101400000000, -0.0000006400000000, -0.0001239600000000 ] - [ 0.0001402200000000, 0.0000665300000000, 0.0013086200000000 ] - [ 0.0000252400000000, -0.0000027600000000, 0.0000337800000000 ] - [ -0.0000008100000000, 0.0000176000000000, 0.0001688800000000 ] - [ 0.0004800700000000, -0.0001214400000000, 0.0001626200000000 ] - [ -0.0004373100000000, 0.0000452000000000, 0.0001753700000000 ] - [ -0.0023511100000000, -0.0004758700000000, -0.0005990900000000 ] - [ 0.0001550700000000, 0.0000209300000000, 0.0001229200000000 ] - [ 0.0018737700000000, -0.0002947600000000, -0.0038697700000000 ] - [ -0.0001567500000000, -0.0011608600000000, -0.0080309900000000 ] - [ -0.0234780900000000, -0.0755762300000000, 0.2088948800000000 ] - [ 0.0006544100000000, 0.0002113900000000, 0.0008554000000000 ] - [ -0.0004840600000000, 0.0001961500000000, -0.0007131400000000 ] - [ -0.0001389800000000, -0.0000184300000000, -0.0002371800000000 ] - [ 0.0002066100000000, 0.0000108700000000, -0.0002278500000000 ] - [ -0.0051204300000000, -0.0000980300000000, 0.0054341700000000 ] - [ 0.0004233400000000, -0.0002363800000000, 0.0004530500000000 ] - [ 0.0000680300000000, 0.0000265500000000, 0.0001253300000000 ] - [ 0.0000749300000000, -0.0000664100000000, -0.0001593900000000 ] - [ 0.0022144000000000, -0.0002093800000000, -0.0031066800000000 ] - [ -0.0029276700000000, 0.0002240100000000, 0.0035299000000000 ] - [ -0.0100520500000000, 0.0085382700000000, -0.0079318800000000 ] - [ 0.0084738100000000, 0.0004914700000000, -0.0057253900000000 ] - [ -0.0003267700000000, -0.0000219000000000, -0.0007057200000000 ] - [ 0.0303338300000000, 0.0794221700000000, -0.3033531300000000 ] - [ 0.0000006700000000, -0.0002566400000000, -0.0003811500000000 ] - [ 0.0001786200000000, 0.0000511200000000, 0.0003313100000000 ] - [ 0.0004721600000000, 0.0002478700000000, 0.0030565300000000 ] - [ 0.0001661700000000, 0.0001668300000000, -0.0007110000000000 ] - [ 0.0173674600000000, -0.0058787200000000, 0.0294752100000000 ] - [ -0.0002980800000000, -0.0000127000000000, -0.0001424500000000 ] - [ 0.0072076700000000, 0.0032180700000000, -0.0029574200000000 ] - [ -0.0010477000000000, -0.0003813800000000, 0.0012100100000000 ] - [ 0.0020401900000000, 0.0000416500000000, -0.0008698500000000 ] - [ 0.0000498800000000, -0.0000796400000000, 0.0001501900000000 ] - [ -0.0007516900000000, 0.0000330400000000, 0.0025969400000000 ] - [ -0.0074242700000000, 0.0005478500000000, -0.0001746200000000 ] - [ -0.0022750500000000, 0.0002412300000000, 0.0037626700000000 ] - [ -0.0004069600000000, -0.0000282000000000, -0.0000476700000000 ] - [ -0.0011836800000000, 0.0002718700000000, -0.0007720500000000 ] - [ -0.0003091800000000, 0.0008124400000000, 0.0065962700000000 ] - [ 0.0000356700000000, -0.0001600700000000, 0.0003979300000000 ] - [ 0.0008991300000000, 0.0000848700000000, 0.0008050000000000 ] - [ 0.0020184200000000, -0.0015608000000000, 0.0056472500000000 ] - [ 0.0000896700000000, 0.0001885900000000, -0.0002811000000000 ] - [ 0.0025469000000000, -0.0006672200000000, -0.0024774900000000 ] - [ -0.0003468700000000, -0.0003791800000000, -0.0040224200000000 ] - [ -0.0211301000000000, -0.0020340500000000, 0.0227260000000000 ] - [ -0.0003159500000000, 0.0025327100000000, 0.0070127600000000 ] - [ -0.0013859500000000, -0.0010325700000000, 0.0048180500000000 ] - [ -0.0018155900000000, -0.0088230200000000, 0.0009144100000000 ] - [ 0.0014967000000000, -0.0011806900000000, 0.0048044500000000 ] - [ -0.0001297600000000, 0.0001574800000000, 0.0000004200000000 ] - [ -0.0007711800000000, 0.0001693900000000, 0.0015006100000000 ] - [ 0.0016328900000000, 0.0003141400000000, -0.0015508600000000 ] - [ 0.0000647100000000, 0.0000610100000000, -0.0001697500000000 ] - [ 0.0001386600000000, -0.0001426900000000, 0.0021216300000000 ] - [ 0.0001589900000000, 0.0000172000000000, 0.0001008300000000 ] - [ -0.0056352400000000, -0.0002122400000000, -0.0009544700000000 ] - [ 0.0000384200000000, 0.0000214100000000, 0.0001601100000000 ] - [ -0.0007323900000000, -0.0000584700000000, -0.0004910300000000 ] - [ 0.0008083500000000, -0.0000688000000000, 0.0005174300000000 ] - [ 0.0038935300000000, -0.0015981500000000, -0.0014626200000000 ] - [ -0.0000828600000000, 0.0001901700000000, -0.0000723000000000 ] - [ 0.0000240700000000, 0.0001243600000000, -0.0001633600000000 ] - [ -0.0003194900000000, 0.0000213400000000, -0.0000994300000000 ] - [ -0.0032490900000000, -0.0003763400000000, 0.0030168600000000 ] - [ -0.0008696800000000, 0.0000284600000000, 0.0008170100000000 ] - [ -0.0001125800000000, -0.0001690200000000, -0.0002042800000000 ] - [ -0.0000856200000000, -0.0003941600000000, -0.0027767400000000 ] - [ 0.0011491100000000, -0.0001368700000000, -0.0006175800000000 ] - [ -0.0000396200000000, -0.0000572900000000, 0.0000174200000000 ] - [ 0.0036578100000000, 0.0000821900000000, 0.0038550500000000 ] - [ 0.0000439800000000, -0.0000454400000000, 0.0004463600000000 ] - [ -0.0000834000000000, -0.0000655700000000, 0.0006421500000000 ] - [ -0.0001976900000000, 0.0000283000000000, 0.0001803100000000 ] - [ -0.0001366600000000, 0.0001401700000000, -0.0000655800000000 ] - [ 0.0000396800000000, -0.0000426200000000, -0.0000315500000000 ] - [ -0.0001180200000000, -0.0001129600000000, 0.0000617500000000 ] - [ 0.0001326600000000, -0.0000856300000000, -0.0002603700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016157200000000, -0.0068925600000000, -0.0186189300000000 ] - [ -0.0007795200000000, 0.0000008800000000, 0.0001459200000000 ] - [ 0.0025084900000000, 0.0012581100000000, -0.0145381900000000 ] - [ 0.0003806200000000, -0.0000393600000000, -0.0014978800000000 ] - [ -0.0007622700000000, -0.0001169900000000, -0.0159576400000000 ] - [ -0.0002669300000000, 0.0000215700000000, 0.0011556000000000 ] - [ -0.0012273000000000, 0.0000591700000000, 0.0056797900000000 ] - [ 0.0015471800000000, 0.0003122800000000, 0.0058250900000000 ] - [ -0.0061892000000000, -0.0022722700000000, 0.0008726200000000 ] - [ 0.0034576800000000, -0.0001157000000000, 0.0017093500000000 ] - [ 0.0005772800000000, -0.0000998300000000, 0.0001930500000000 ] - [ -0.0000403600000000, 0.0029520400000000, 0.0086924800000000 ] - [ 0.0000950200000000, -0.0000116600000000, 0.0001217100000000 ] - [ -0.0028845400000000, 0.0005183700000000, 0.0000210100000000 ] - [ -0.0000245200000000, -0.0000005200000000, 0.0000246000000000 ] - [ 0.0000997400000000, -0.0001367400000000, 0.0011318900000000 ] - [ -0.0000546500000000, -0.0000140300000000, 0.0001562300000000 ] - [ -0.0000781800000000, -0.0000514200000000, -0.0012761600000000 ] - [ -0.0000240200000000, 0.0000021700000000, -0.0003880000000000 ] - [ -0.0000663500000000, -0.0000039500000000, -0.0001383400000000 ] - [ -0.0004775600000000, -0.0000479400000000, 0.0002116900000000 ] - [ 0.0004380200000000, 0.0001235200000000, 0.0001970300000000 ] - [ 0.0021292100000000, 0.0004207800000000, 0.0008145300000000 ] - [ 0.0000736900000000, 0.0000359700000000, 0.0000993900000000 ] - [ -0.0018793100000000, 0.0001201800000000, 0.0035518000000000 ] - [ 0.0002307500000000, 0.0012448300000000, 0.0079537200000000 ] - [ 0.0254089000000000, 0.0820930800000000, -0.2208545700000000 ] - [ -0.0007182100000000, -0.0003054600000000, -0.0009072100000000 ] - [ 0.0004122900000000, -0.0001007500000000, 0.0006661500000000 ] - [ 0.0001382200000000, 0.0000189300000000, -0.0001640100000000 ] - [ -0.0002068400000000, -0.0000091700000000, -0.0001725300000000 ] - [ 0.0051255800000000, 0.0002892100000000, -0.0057119500000000 ] - [ -0.0004228900000000, 0.0000561000000000, -0.0007647000000000 ] - [ 0.0000009500000000, 0.0000644200000000, -0.0001761400000000 ] - [ -0.0000074600000000, -0.0000250300000000, 0.0001119400000000 ] - [ -0.0022722100000000, 0.0001148800000000, 0.0030610800000000 ] - [ 0.0028546800000000, -0.0001332400000000, -0.0035949100000000 ] - [ 0.0100663700000000, -0.0085854800000000, 0.0075158800000000 ] - [ -0.0084131200000000, -0.0004666100000000, 0.0053584700000000 ] - [ 0.0003285400000000, 0.0001999700000000, 0.0003929700000000 ] - [ -0.0325300200000000, -0.0865912200000000, 0.3144169500000000 ] - [ 0.0002236000000000, -0.0000158900000000, 0.0003768900000000 ] - [ 0.0000507100000000, 0.0002256500000000, -0.0003400200000000 ] - [ -0.0004617600000000, -0.0001218000000000, -0.0025884100000000 ] - [ 0.0000526500000000, 0.0001578600000000, 0.0005169800000000 ] - [ -0.0174270600000000, 0.0060360200000000, -0.0298584900000000 ] - [ 0.0000967100000000, -0.0001797600000000, -0.0002891800000000 ] - [ -0.0073974100000000, -0.0032038800000000, 0.0029737800000000 ] - [ 0.0012744900000000, 0.0003867700000000, -0.0011257900000000 ] - [ -0.0018215900000000, -0.0000521900000000, 0.0009411100000000 ] - [ -0.0002645000000000, -0.0000217700000000, -0.0000714900000000 ] - [ 0.0007600100000000, 0.0001657000000000, -0.0021988000000000 ] - [ 0.0075766200000000, -0.0003685600000000, -0.0003244700000000 ] - [ 0.0020563900000000, -0.0002353500000000, -0.0036693100000000 ] - [ 0.0001898000000000, 0.0001294100000000, 0.0001268900000000 ] - [ 0.0013514800000000, -0.0001929600000000, 0.0009599100000000 ] - [ 0.0000859400000000, -0.0011326800000000, -0.0067719100000000 ] - [ 0.0001884500000000, -0.0001681200000000, -0.0006017000000000 ] - [ -0.0007232900000000, -0.0001658700000000, -0.0006230300000000 ] - [ -0.0021624100000000, 0.0014645700000000, -0.0054385000000000 ] - [ -0.0002924600000000, 0.0000037400000000, -0.0001455900000000 ] - [ -0.0025631200000000, 0.0004577800000000, 0.0028485100000000 ] - [ 0.0003058300000000, 0.0002833400000000, 0.0044974700000000 ] - [ 0.0212770100000000, 0.0021611800000000, -0.0228094600000000 ] - [ 0.0000778100000000, -0.0022304800000000, -0.0069691300000000 ] - [ 0.0015719100000000, 0.0009169800000000, -0.0047276700000000 ] - [ 0.0015997600000000, 0.0085807600000000, -0.0008022000000000 ] - [ -0.0012897100000000, 0.0010016000000000, -0.0052222200000000 ] - [ -0.0000932600000000, 0.0001700200000000, -0.0002036600000000 ] - [ 0.0009950000000000, -0.0004458100000000, -0.0015133100000000 ] - [ -0.0013976500000000, -0.0000422000000000, 0.0015530200000000 ] - [ -0.0000632000000000, 0.0000639700000000, 0.0006409000000000 ] - [ 0.0000792200000000, 0.0004706400000000, -0.0023225600000000 ] - [ 0.0000580900000000, 0.0000843500000000, -0.0000208800000000 ] - [ 0.0054172300000000, 0.0000223200000000, 0.0004910600000000 ] - [ -0.0002614400000000, -0.0000277100000000, -0.0000788300000000 ] - [ 0.0009548200000000, 0.0000637400000000, 0.0005715400000000 ] - [ -0.0005899000000000, 0.0000637400000000, -0.0004350700000000 ] - [ -0.0041143000000000, 0.0015129100000000, 0.0015629200000000 ] - [ 0.0000854200000000, 0.0000113000000000, 0.0004675300000000 ] - [ 0.0001782400000000, 0.0000674200000000, -0.0002680400000000 ] - [ 0.0000993600000000, -0.0000161400000000, 0.0001823200000000 ] - [ 0.0030221200000000, 0.0004794900000000, -0.0029455100000000 ] - [ 0.0010372200000000, 0.0000512300000000, -0.0006363700000000 ] - [ -0.0001104100000000, -0.0001575600000000, 0.0000055000000000 ] - [ 0.0003241900000000, 0.0000729500000000, 0.0025789300000000 ] - [ -0.0009772600000000, 0.0000540200000000, 0.0008045300000000 ] - [ -0.0001314000000000, -0.0000228700000000, 0.0001652800000000 ] - [ -0.0038853000000000, 0.0001111300000000, -0.0042953900000000 ] - [ -0.0000452300000000, -0.0001555900000000, -0.0000534100000000 ] - [ 0.0000810400000000, -0.0000603900000000, -0.0001759300000000 ] - [ 0.0000269200000000, 0.0000534100000000, 0.0000045000000000 ] - [ -0.0000915100000000, 0.0001342700000000, 0.0000577300000000 ] - [ 0.0001768800000000, -0.0000542400000000, 0.0001108100000000 ] - [ -0.0001114800000000, -0.0001652100000000, -0.0000689700000000 ] - [ 0.0000687500000000, -0.0001077500000000, -0.0001626400000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016540600000000, -0.0000649800000000, 0.0006277700000000 ] - [ 0.0138374300000000, -0.0013669300000000, -0.0011343800000000 ] - [ -0.0020007100000000, -0.0000769400000000, -0.0001333000000000 ] - [ 0.0156570200000000, -0.0054048800000000, -0.0028552600000000 ] - [ -0.0030213000000000, 0.0005896100000000, 0.0000570300000000 ] - [ 0.0034569900000000, -0.0004725400000000, -0.0012870900000000 ] - [ -0.0016282000000000, 0.0000446700000000, -0.0002154800000000 ] - [ -0.0008575500000000, -0.0000759800000000, -0.0002824400000000 ] - [ -0.0045937300000000, -0.0007947100000000, -0.0033557900000000 ] - [ 0.0006925800000000, 0.0004292500000000, 0.0021503100000000 ] - [ 0.0050323000000000, 0.0000888000000000, 0.0006384700000000 ] - [ -0.0013905000000000, -0.0000622500000000, -0.0004095400000000 ] - [ -0.0019326100000000, -0.0005313200000000, 0.0019444900000000 ] - [ -0.0017847500000000, 0.0000607800000000, 0.0000921800000000 ] - [ 0.0017949000000000, 0.0003217100000000, 0.0015301900000000 ] - [ -0.0016405400000000, -0.0001642000000000, 0.0002816200000000 ] - [ -0.0012146600000000, 0.0000746400000000, 0.0002988800000000 ] - [ -0.0018580900000000, 0.0001840100000000, 0.0002055400000000 ] - [ 0.0008567900000000, -0.0041561500000000, -0.0071542300000000 ] - [ -0.0022825100000000, -0.0003274900000000, -0.0009294000000000 ] - [ -0.0014457000000000, -0.0000363300000000, -0.0000417700000000 ] - [ -0.0021410200000000, 0.0001830400000000, 0.0004630500000000 ] - [ -0.0017963100000000, -0.0000636900000000, 0.0001082500000000 ] - [ -0.0005316600000000, 0.0000536500000000, -0.0009909900000000 ] - [ -0.0009490400000000, 0.0001801000000000, -0.0015944300000000 ] - [ -0.0014821600000000, 0.0000227700000000, -0.0000701200000000 ] - [ -0.0025115500000000, -0.0000492900000000, -0.0002800300000000 ] - [ 0.0499619700000000, 0.0170798500000000, -0.0004536300000000 ] - [ 0.0040618600000000, -0.0003413300000000, -0.0001853700000000 ] - [ 0.0024962100000000, -0.0003465900000000, -0.0026902300000000 ] - [ -0.0029286400000000, 0.0028557800000000, 0.0102974000000000 ] - [ -0.0005415100000000, 0.0000919500000000, 0.0043849100000000 ] - [ -0.0019788300000000, -0.0000115000000000, -0.0005313900000000 ] - [ -0.0048439400000000, 0.0007504600000000, -0.0023474700000000 ] - [ -0.0002512900000000, 0.0000094700000000, 0.0005324300000000 ] - [ -0.0019607000000000, -0.0000979000000000, 0.0001209900000000 ] - [ -0.0021689200000000, 0.0001139200000000, 0.0000951200000000 ] - [ -0.0024021500000000, 0.0001696500000000, -0.0004495400000000 ] - [ -0.0022422900000000, -0.0000060000000000, 0.0000120600000000 ] - [ -0.0019828000000000, 0.0001600500000000, 0.0001688500000000 ] - [ 0.0013586800000000, 0.0000264900000000, -0.0002084800000000 ] - [ -0.0636649100000000, -0.0051362900000000, 0.0089608200000000 ] - [ -0.0023005800000000, 0.0000550800000000, 0.0000053400000000 ] - [ -0.0002093300000000, 0.0004446700000000, 0.0009741900000000 ] - [ -0.0137176200000000, -0.0018896000000000, 0.0015923800000000 ] - [ 0.0018677600000000, -0.0000145400000000, 0.0007113000000000 ] - [ -0.0026673500000000, 0.0005190900000000, -0.0068259400000000 ] - [ 0.0014929600000000, -0.0005121200000000, -0.0018301300000000 ] - [ -0.0005495000000000, -0.0007101100000000, 0.0039860700000000 ] - [ -0.0013704800000000, 0.0012032500000000, -0.0037172000000000 ] - [ -0.0027983300000000, 0.0003945200000000, 0.0014798500000000 ] - [ -0.0000035900000000, -0.0000543100000000, 0.0014411800000000 ] - [ 0.0014481000000000, -0.0003053400000000, -0.0003735500000000 ] - [ 0.0007244700000000, -0.0002962900000000, 0.0008301800000000 ] - [ -0.0027745600000000, -0.0127712800000000, -0.0059604700000000 ] - [ -0.0031854500000000, 0.0126544100000000, 0.0040117500000000 ] - [ 0.0007640100000000, -0.0002448500000000, -0.0000297700000000 ] - [ -0.0025580900000000, -0.0004372100000000, 0.0001114800000000 ] - [ -0.0027279600000000, 0.0002713200000000, -0.0005948000000000 ] - [ 0.0008320900000000, 0.0001065900000000, -0.0003376200000000 ] - [ -0.0027504900000000, -0.0002959000000000, 0.0040214800000000 ] - [ 0.0021860100000000, -0.0013649400000000, -0.0020744300000000 ] - [ 0.0049169300000000, 0.0009176300000000, -0.0024781700000000 ] - [ 0.0018657700000000, 0.0000627200000000, 0.0002845000000000 ] - [ 0.0007392200000000, 0.0000733900000000, -0.0000638000000000 ] - [ 0.0014146400000000, 0.0000575900000000, 0.0003391200000000 ] - [ 0.0013424900000000, -0.0000889100000000, 0.0002755000000000 ] - [ 0.0013507800000000, 0.0002669500000000, -0.0000573200000000 ] - [ 0.0002441000000000, 0.0000854400000000, -0.0009807900000000 ] - [ 0.0011732500000000, -0.0001674500000000, -0.0000968300000000 ] - [ 0.0012901800000000, 0.0001564400000000, -0.0000938500000000 ] - [ 0.0014428200000000, 0.0000989100000000, 0.0004581600000000 ] - [ 0.0012033700000000, 0.0001580500000000, -0.0000928800000000 ] - [ -0.0003473300000000, 0.0000114200000000, 0.0003987500000000 ] - [ 0.0012298400000000, -0.0005007800000000, -0.0002926200000000 ] - [ 0.0015966600000000, 0.0000154300000000, -0.0005977200000000 ] - [ 0.0016996400000000, -0.0000866000000000, 0.0003351500000000 ] - [ 0.0017095600000000, -0.0000118600000000, 0.0000782800000000 ] - [ 0.0014729500000000, -0.0000960600000000, -0.0004071700000000 ] - [ 0.0012607100000000, 0.0000678400000000, 0.0004188400000000 ] - [ 0.0003390800000000, -0.0000985500000000, -0.0025272000000000 ] - [ 0.0012484500000000, 0.0000702000000000, 0.0002952100000000 ] - [ 0.0013339900000000, 0.0000904400000000, -0.0004773200000000 ] - [ 0.0015086200000000, 0.0001132900000000, 0.0002787200000000 ] - [ 0.0017704900000000, -0.0002605400000000, 0.0014266100000000 ] - [ 0.0013090300000000, -0.0001670600000000, -0.0000700900000000 ] - [ 0.0017006100000000, -0.0001015500000000, 0.0002766500000000 ] - [ 0.0027573800000000, 0.0003145000000000, -0.0000371800000000 ] - [ 0.0012070700000000, 0.0004896200000000, -0.0001502400000000 ] - [ 0.0010625000000000, -0.0001406800000000, -0.0000207400000000 ] - [ 0.0010512200000000, -0.0000161500000000, 0.0000934000000000 ] - [ 0.0005951900000000, 0.0001247700000000, 0.0000227100000000 ] - [ 0.0020254900000000, -0.0000608100000000, 0.0001872600000000 ] - [ 0.0074850300000000, -0.0021924800000000, -0.0023929400000000 ] - [ 0.0000783900000000, -0.0001512400000000, -0.0000020600000000 ] - [ -0.0003043300000000, 0.0003102900000000, 0.0028787900000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018952300000000, -0.0000013200000000, -0.0004044100000000 ] - [ -0.0140686000000000, 0.0014271400000000, 0.0013680300000000 ] - [ 0.0019987100000000, 0.0000776400000000, -0.0002212100000000 ] - [ -0.0160121300000000, 0.0057747100000000, 0.0033141900000000 ] - [ 0.0029697100000000, -0.0006088700000000, -0.0000229200000000 ] - [ -0.0034047900000000, 0.0004900400000000, 0.0013149400000000 ] - [ 0.0016258600000000, -0.0000443400000000, -0.0001380100000000 ] - [ 0.0007903600000000, 0.0000901800000000, 0.0003132600000000 ] - [ 0.0045914700000000, 0.0006458200000000, 0.0037486500000000 ] - [ -0.0006993500000000, -0.0002588100000000, -0.0017954700000000 ] - [ -0.0052861100000000, -0.0001438200000000, -0.0003889500000000 ] - [ 0.0016295900000000, 0.0001289400000000, 0.0006425500000000 ] - [ 0.0021801100000000, 0.0004589200000000, -0.0016992800000000 ] - [ 0.0015421800000000, 0.0000039400000000, 0.0001320600000000 ] - [ -0.0017864600000000, -0.0003219900000000, -0.0018868400000000 ] - [ 0.0017010400000000, 0.0001506400000000, -0.0002474700000000 ] - [ 0.0011579700000000, -0.0000912500000000, -0.0002646100000000 ] - [ 0.0019178900000000, -0.0001685500000000, -0.0001711900000000 ] - [ -0.0005952200000000, 0.0042673900000000, 0.0068815100000000 ] - [ 0.0022162100000000, 0.0003411700000000, 0.0009580500000000 ] - [ 0.0014490900000000, -0.0001331200000000, 0.0004063500000000 ] - [ 0.0021381400000000, -0.0000113300000000, -0.0000876000000000 ] - [ 0.0015552800000000, -0.0000041000000000, 0.0001232900000000 ] - [ 0.0007740400000000, 0.0000105300000000, 0.0012074400000000 ] - [ 0.0009391700000000, -0.0003894400000000, 0.0012917200000000 ] - [ 0.0015675900000000, 0.0000748900000000, 0.0000247100000000 ] - [ 0.0025968900000000, -0.0000476700000000, 0.0002460500000000 ] - [ -0.0497855700000000, -0.0159459100000000, 0.0003847800000000 ] - [ -0.0041548100000000, 0.0004380400000000, 0.0001329200000000 ] - [ -0.0024761400000000, 0.0003519100000000, 0.0022443000000000 ] - [ 0.0029831200000000, -0.0027922600000000, -0.0106913300000000 ] - [ 0.0005370100000000, 0.0001219800000000, -0.0047161200000000 ] - [ 0.0019841900000000, -0.0001970100000000, 0.0002266100000000 ] - [ 0.0049138200000000, -0.0006483700000000, 0.0022958000000000 ] - [ 0.0003419200000000, -0.0001007300000000, -0.0005740700000000 ] - [ 0.0018759100000000, -0.0000030800000000, -0.0001613500000000 ] - [ 0.0020837100000000, -0.0000230700000000, -0.0001310000000000 ] - [ 0.0023997800000000, -0.0001719000000000, 0.0000227700000000 ] - [ 0.0022377500000000, 0.0000047400000000, -0.0004491900000000 ] - [ 0.0019799100000000, 0.0000485500000000, -0.0004696500000000 ] - [ -0.0015662200000000, 0.0002960000000000, 0.0000077000000000 ] - [ 0.0637541400000000, 0.0031065300000000, -0.0093148600000000 ] - [ 0.0025201800000000, 0.0001858200000000, 0.0000003900000000 ] - [ 0.0002142600000000, -0.0003162400000000, -0.0004571000000000 ] - [ 0.0139333300000000, 0.0023373800000000, -0.0018309000000000 ] - [ -0.0016192400000000, 0.0000679500000000, -0.0006379500000000 ] - [ 0.0024363800000000, -0.0007237600000000, 0.0063672100000000 ] - [ -0.0017095200000000, 0.0005182700000000, 0.0018922100000000 ] - [ 0.0007815300000000, 0.0007143200000000, -0.0039486200000000 ] - [ 0.0016011100000000, -0.0012083200000000, 0.0037844600000000 ] - [ 0.0025444400000000, -0.0004473300000000, -0.0013957900000000 ] - [ 0.0000100900000000, 0.0002721800000000, -0.0010552600000000 ] - [ -0.0012551200000000, 0.0005077000000000, -0.0000591500000000 ] - [ -0.0009342700000000, 0.0002955700000000, -0.0007829000000000 ] - [ 0.0024670700000000, 0.0127682200000000, 0.0059891900000000 ] - [ 0.0034345800000000, -0.0126346100000000, -0.0038884000000000 ] - [ -0.0009674400000000, -0.0000740700000000, -0.0001634400000000 ] - [ 0.0027622400000000, 0.0001120300000000, -0.0002879800000000 ] - [ 0.0029391800000000, -0.0003499400000000, 0.0007958100000000 ] - [ -0.0010308400000000, -0.0001890200000000, 0.0005337400000000 ] - [ 0.0025309500000000, 0.0004975700000000, -0.0044537800000000 ] - [ -0.0021991900000000, 0.0011518500000000, 0.0024703600000000 ] - [ -0.0049660500000000, -0.0010558100000000, 0.0030100500000000 ] - [ -0.0020653400000000, 0.0000162100000000, -0.0000983200000000 ] - [ -0.0009591600000000, 0.0001681100000000, 0.0000686600000000 ] - [ -0.0011658200000000, -0.0001111800000000, -0.0002592100000000 ] - [ -0.0015636200000000, -0.0001573900000000, -0.0002763000000000 ] - [ -0.0011566500000000, -0.0004703700000000, -0.0003831900000000 ] - [ -0.0004566200000000, 0.0002345600000000, 0.0007784100000000 ] - [ -0.0009516800000000, -0.0000765400000000, 0.0000983900000000 ] - [ -0.0010683400000000, 0.0000842500000000, 0.0000938000000000 ] - [ -0.0014425500000000, 0.0000295200000000, 0.0000588700000000 ] - [ -0.0009967500000000, 0.0001628000000000, -0.0001050800000000 ] - [ 0.0005885400000000, 0.0000434800000000, -0.0003191600000000 ] - [ -0.0014219200000000, 0.0002959500000000, -0.0001411400000000 ] - [ -0.0018167400000000, -0.0000151900000000, 0.0006452600000000 ] - [ -0.0014825600000000, 0.0000847000000000, -0.0002812500000000 ] - [ -0.0014941500000000, 0.0000142000000000, -0.0000295700000000 ] - [ -0.0017171300000000, 0.0000400400000000, 0.0004793600000000 ] - [ -0.0012587100000000, 0.0001549000000000, -0.0000300900000000 ] - [ -0.0001676200000000, 0.0003046200000000, 0.0020805600000000 ] - [ -0.0014665200000000, -0.0000721600000000, -0.0002394600000000 ] - [ -0.0015822700000000, -0.0000334200000000, 0.0005567200000000 ] - [ -0.0013071100000000, -0.0000310900000000, -0.0000842000000000 ] - [ -0.0019697100000000, -0.0000613500000000, -0.0016134200000000 ] - [ -0.0011013900000000, -0.0001537800000000, -0.0001253900000000 ] - [ -0.0015024200000000, 0.0000213200000000, -0.0000899000000000 ] - [ -0.0029468600000000, -0.0003902300000000, 0.0002246600000000 ] - [ -0.0013987200000000, -0.0002859100000000, -0.0002910300000000 ] - [ -0.0010641600000000, -0.0000788000000000, 0.0004023100000000 ] - [ -0.0010549400000000, -0.0001100500000000, 0.0004183100000000 ] - [ -0.0008018300000000, -0.0000418000000000, 0.0001747600000000 ] - [ -0.0022408200000000, 0.0003000100000000, -0.0001913700000000 ] - [ -0.0071388900000000, 0.0021086700000000, 0.0024221000000000 ] - [ -0.0003018400000000, -0.0000927900000000, 0.0000075300000000 ] - [ 0.0004882200000000, -0.0005138000000000, -0.0032859700000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003544000000000, -0.0000270500000000, 0.0000507000000000 ] - [ -0.0008447300000000, 0.0018690400000000, -0.0011599300000000 ] - [ 0.0000738500000000, 0.0000037300000000, -0.0001391600000000 ] - [ -0.0063597200000000, 0.0042298500000000, 0.0050629500000000 ] - [ 0.0003107800000000, 0.0000274700000000, 0.0003828800000000 ] - [ 0.0001840200000000, 0.0000220900000000, -0.0002617400000000 ] - [ 0.0000638600000000, -0.0000012700000000, -0.0002055400000000 ] - [ -0.0000574900000000, 0.0000399300000000, -0.0001370100000000 ] - [ -0.0020674600000000, 0.0015501300000000, -0.0004496000000000 ] - [ 0.0000159100000000, 0.0001331100000000, -0.0002757000000000 ] - [ -0.0006629200000000, 0.0016000000000000, 0.0025300700000000 ] - [ 0.0000628500000000, 0.0000192900000000, 0.0001099600000000 ] - [ 0.0006294700000000, -0.0002940700000000, 0.0002073000000000 ] - [ -0.0000587800000000, 0.0000291200000000, 0.0001064200000000 ] - [ -0.0004536500000000, -0.0000801100000000, -0.0007328600000000 ] - [ 0.0001106000000000, 0.0000028000000000, -0.0000111800000000 ] - [ 0.0001441100000000, 0.0000133900000000, -0.0001282800000000 ] - [ 0.0000839900000000, 0.0000027000000000, 0.0000277200000000 ] - [ -0.0029170800000000, -0.0017567000000000, -0.0023007400000000 ] - [ -0.0001111200000000, -0.0000190600000000, 0.0001297100000000 ] - [ 0.0000319500000000, -0.0000854000000000, 0.0001489000000000 ] - [ 0.0000961700000000, 0.0000947700000000, 0.0002296200000000 ] - [ -0.0000546100000000, -0.0000363600000000, 0.0001225700000000 ] - [ 0.0000010100000000, -0.0000222800000000, 0.0000267900000000 ] - [ 0.0004885000000000, -0.0006982900000000, -0.0002977400000000 ] - [ 0.0001661200000000, 0.0000563500000000, -0.0001208600000000 ] - [ -0.0000115200000000, 0.0000162400000000, 0.0001965800000000 ] - [ 0.0132344300000000, 0.2421470600000000, -0.0095824300000000 ] - [ -0.0000672700000000, 0.0005766900000000, 0.0009185700000000 ] - [ 0.0003460900000000, -0.0003293500000000, -0.0003912000000000 ] - [ 0.0048706300000000, 0.0063599800000000, -0.0053730900000000 ] - [ -0.0005184300000000, -0.0005574600000000, 0.0004156100000000 ] - [ 0.0000119100000000, -0.0001117900000000, -0.0001026100000000 ] - [ 0.0006212700000000, 0.0001895000000000, 0.0004420700000000 ] - [ -0.0000608700000000, -0.0000785400000000, -0.0003984800000000 ] - [ 0.0000387000000000, -0.0000502200000000, -0.0000461600000000 ] - [ 0.0000261500000000, 0.0000416300000000, 0.0000022600000000 ] - [ 0.0000568700000000, 0.0000010900000000, -0.0002107500000000 ] - [ 0.0001153400000000, -0.0000065600000000, -0.0002439500000000 ] - [ 0.0001460600000000, 0.0000877200000000, -0.0002123100000000 ] - [ -0.0001871700000000, 0.0001694100000000, -0.0002338500000000 ] - [ -0.0032825200000000, -0.3265466800000000, 0.0078896300000000 ] - [ 0.0001763900000000, -0.0001099100000000, -0.0002398500000000 ] - [ -0.0001469100000000, 0.0001177800000000, 0.0002988400000000 ] - [ 0.0013270700000000, 0.0265961700000000, -0.0086932500000000 ] - [ 0.0001207200000000, 0.0000172900000000, -0.0000049800000000 ] - [ -0.0000264800000000, -0.0026950500000000, 0.0005310900000000 ] - [ -0.0003552800000000, 0.0003490000000000, 0.0001041100000000 ] - [ -0.0010852400000000, -0.0006827600000000, -0.0003249700000000 ] - [ 0.0005024100000000, -0.0012085600000000, 0.0004621700000000 ] - [ -0.0000530400000000, 0.0001104900000000, -0.0003257400000000 ] - [ 0.0000933400000000, 0.0002457000000000, 0.0006104100000000 ] - [ 0.0000048500000000, 0.0001354000000000, -0.0002184200000000 ] - [ -0.0001849700000000, -0.0000878900000000, 0.0002367700000000 ] - [ -0.0092579000000000, 0.0229186800000000, 0.0075076400000000 ] - [ 0.0076645900000000, 0.0258731900000000, 0.0025590800000000 ] - [ -0.0001233500000000, -0.0001537800000000, -0.0000229700000000 ] - [ 0.0006118400000000, 0.0009488900000000, -0.0025008700000000 ] - [ 0.0001287400000000, 0.0000283400000000, -0.0002466700000000 ] - [ -0.0002095200000000, -0.0000427300000000, 0.0002426800000000 ] - [ 0.0000169600000000, 0.0000283300000000, 0.0013448000000000 ] - [ -0.0015816100000000, 0.0018183700000000, 0.0007357200000000 ] - [ -0.0001303100000000, -0.0011198000000000, -0.0003246800000000 ] - [ 0.0001425100000000, 0.0000727500000000, -0.0001133500000000 ] - [ -0.0001563600000000, 0.0001160500000000, 0.0000599300000000 ] - [ 0.0000514600000000, -0.0000357100000000, 0.0000502300000000 ] - [ -0.0001441200000000, -0.0001628400000000, -0.0000889200000000 ] - [ 0.0000770400000000, -0.0001042300000000, -0.0002107800000000 ] - [ -0.0001832000000000, 0.0001037500000000, 0.0001934100000000 ] - [ 0.0000637500000000, -0.0001208700000000, 0.0000171800000000 ] - [ 0.0000740200000000, 0.0001230000000000, -0.0000087400000000 ] - [ -0.0000354900000000, 0.0000695600000000, 0.0002101900000000 ] - [ 0.0000572600000000, 0.0001597600000000, -0.0000862600000000 ] - [ 0.0004002800000000, -0.0000086500000000, 0.0003703000000000 ] - [ -0.0001551100000000, -0.0000839300000000, -0.0002170500000000 ] - [ -0.0003057000000000, -0.0000019000000000, 0.0000606000000000 ] - [ 0.0000753800000000, -0.0000010300000000, 0.0000167900000000 ] - [ 0.0000110200000000, -0.0000040000000000, 0.0000218700000000 ] - [ -0.0001661500000000, -0.0000263300000000, 0.0000400300000000 ] - [ -0.0000169100000000, 0.0001204900000000, 0.0001814800000000 ] - [ -0.0010331400000000, -0.0003609400000000, 0.0012021100000000 ] - [ -0.0000743900000000, -0.0000172900000000, 0.0000195800000000 ] - [ -0.0001928700000000, 0.0000227100000000, 0.0000735000000000 ] - [ 0.0000510000000000, 0.0000385800000000, 0.0001076400000000 ] - [ 0.0001165000000000, -0.0005449800000000, -0.0002904800000000 ] - [ 0.0000608000000000, -0.0001641100000000, -0.0001147700000000 ] - [ 0.0000401100000000, -0.0000396500000000, 0.0000717400000000 ] - [ -0.0001674700000000, 0.0000378200000000, -0.0000564100000000 ] - [ -0.0001356000000000, 0.0000893200000000, -0.0002143100000000 ] - [ -0.0000676200000000, -0.0001038000000000, 0.0002083600000000 ] - [ -0.0000614800000000, -0.0000566200000000, 0.0003035200000000 ] - [ -0.0000947500000000, 0.0000565300000000, 0.0002226900000000 ] - [ -0.0002853600000000, 0.0004070400000000, -0.0005710800000000 ] - [ 0.0000260600000000, -0.0016686200000000, -0.0003103400000000 ] - [ -0.0000783400000000, -0.0001077500000000, 0.0002493200000000 ] - [ 0.0000448600000000, 0.0005268300000000, 0.0008859200000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001150500000000, -0.0000397200000000, 0.0001772500000000 ] - [ 0.0005905800000000, -0.0016436600000000, 0.0011752600000000 ] - [ -0.0000756700000000, -0.0000040700000000, -0.0002105400000000 ] - [ 0.0061536200000000, -0.0040613300000000, -0.0048091900000000 ] - [ -0.0003689900000000, -0.0000387000000000, -0.0003510000000000 ] - [ -0.0001214400000000, -0.0000139500000000, 0.0002945300000000 ] - [ -0.0000631300000000, 0.0000002400000000, -0.0001429600000000 ] - [ -0.0000045800000000, -0.0000258600000000, 0.0001715900000000 ] - [ 0.0020661500000000, -0.0017466900000000, 0.0008207200000000 ] - [ -0.0000153000000000, 0.0000407200000000, 0.0006407000000000 ] - [ 0.0004190700000000, -0.0016910000000000, -0.0023039600000000 ] - [ 0.0001783500000000, 0.0000443800000000, 0.0001185800000000 ] - [ -0.0003921400000000, 0.0002366000000000, 0.0000254400000000 ] - [ -0.0001825000000000, 0.0000342800000000, 0.0001185300000000 ] - [ 0.0004535900000000, 0.0000748500000000, 0.0003859300000000 ] - [ -0.0000490500000000, -0.0000167300000000, 0.0000453000000000 ] - [ -0.0002057800000000, -0.0000303700000000, 0.0001621700000000 ] - [ -0.0000223500000000, 0.0000119600000000, 0.0000069400000000 ] - [ 0.0029971200000000, 0.0018759300000000, 0.0019703200000000 ] - [ 0.0000471600000000, 0.0000347200000000, -0.0000975500000000 ] - [ -0.0000299400000000, -0.0000847300000000, 0.0002180800000000 ] - [ -0.0000960000000000, 0.0000758200000000, 0.0001449700000000 ] - [ -0.0001836800000000, -0.0000298000000000, 0.0001077500000000 ] - [ 0.0002372700000000, 0.0000810100000000, 0.0001956800000000 ] - [ -0.0004955100000000, 0.0004932000000000, 0.0000018300000000 ] - [ -0.0000756200000000, 0.0000401000000000, 0.0000821800000000 ] - [ 0.0001001300000000, -0.0001146700000000, -0.0002338700000000 ] - [ -0.0145845200000000, -0.2600669600000000, 0.0103368000000000 ] - [ -0.0000263400000000, -0.0004748800000000, -0.0009505000000000 ] - [ -0.0003429200000000, 0.0003437800000000, -0.0000569900000000 ] - [ -0.0048790300000000, -0.0064800900000000, 0.0049579500000000 ] - [ 0.0005205100000000, 0.0007603300000000, -0.0007107800000000 ] - [ -0.0000061700000000, -0.0001023900000000, -0.0001965400000000 ] - [ -0.0005224400000000, -0.0001102300000000, -0.0004694000000000 ] - [ 0.0001487100000000, -0.0000090700000000, 0.0003596100000000 ] - [ -0.0001244000000000, -0.0000498900000000, 0.0000113700000000 ] - [ -0.0001126100000000, 0.0000490800000000, -0.0000370000000000 ] - [ -0.0000569100000000, -0.0000015600000000, -0.0002247900000000 ] - [ -0.0001175600000000, 0.0000059500000000, -0.0001958900000000 ] - [ -0.0001481500000000, 0.0001256100000000, -0.0000876300000000 ] - [ -0.0000191100000000, 0.0001512300000000, 0.0000365200000000 ] - [ 0.0049985800000000, 0.3442440300000000, -0.0087472900000000 ] - [ 0.0000449700000000, 0.0003534000000000, 0.0002473100000000 ] - [ 0.0001490300000000, 0.0000099300000000, 0.0002201300000000 ] - [ -0.0011323000000000, -0.0263982100000000, 0.0087331500000000 ] - [ 0.0001285500000000, 0.0000348300000000, 0.0000819300000000 ] - [ -0.0001912800000000, 0.0025103200000000, -0.0009248200000000 ] - [ 0.0001439500000000, -0.0003455100000000, -0.0000562300000000 ] - [ 0.0013082500000000, 0.0006710900000000, 0.0003910800000000 ] - [ -0.0002798800000000, 0.0012021500000000, -0.0004186100000000 ] - [ -0.0001909300000000, -0.0001699300000000, 0.0004036800000000 ] - [ -0.0000937400000000, -0.0000304500000000, -0.0002268200000000 ] - [ 0.0001878900000000, 0.0000673600000000, -0.0002204700000000 ] - [ -0.0000284700000000, 0.0000896100000000, -0.0001910400000000 ] - [ 0.0092362700000000, -0.0230361900000000, -0.0076022200000000 ] - [ -0.0076703300000000, -0.0258968500000000, -0.0024524200000000 ] - [ -0.0000814700000000, -0.0001668800000000, -0.0001730600000000 ] - [ -0.0004035200000000, -0.0012605500000000, 0.0022903800000000 ] - [ 0.0000751400000000, -0.0001099000000000, 0.0004451800000000 ] - [ 0.0000062300000000, -0.0000400200000000, -0.0000501100000000 ] - [ -0.0002264700000000, 0.0001538900000000, -0.0018170600000000 ] - [ 0.0015734300000000, -0.0020331100000000, -0.0003458200000000 ] - [ 0.0001502100000000, 0.0009933400000000, 0.0008289900000000 ] - [ -0.0003489500000000, 0.0000054200000000, 0.0003066000000000 ] - [ -0.0000632700000000, 0.0001263200000000, -0.0000551700000000 ] - [ 0.0001963600000000, -0.0000176700000000, 0.0000281200000000 ] - [ -0.0000748900000000, -0.0000837200000000, 0.0000928300000000 ] - [ 0.0001164900000000, -0.0000995300000000, -0.0002303900000000 ] - [ -0.0000254100000000, 0.0002179700000000, -0.0003952900000000 ] - [ 0.0001561000000000, -0.0001265800000000, -0.0000134700000000 ] - [ 0.0001470000000000, 0.0001183100000000, 0.0000111200000000 ] - [ 0.0000355900000000, 0.0000581700000000, 0.0003057600000000 ] - [ 0.0001473200000000, 0.0001628400000000, -0.0001121900000000 ] - [ -0.0001539700000000, 0.0000644000000000, -0.0002909700000000 ] - [ -0.0000366300000000, -0.0001211500000000, -0.0002212500000000 ] - [ 0.0000903500000000, 0.0000003700000000, -0.0000115200000000 ] - [ 0.0001395300000000, 0.0000004400000000, 0.0000363600000000 ] - [ 0.0002026500000000, 0.0000048700000000, 0.0000273500000000 ] - [ -0.0000799900000000, -0.0000285500000000, 0.0000349400000000 ] - [ 0.0000190600000000, 0.0001041100000000, 0.0002074100000000 ] - [ 0.0012371200000000, 0.0005771000000000, -0.0016649600000000 ] - [ -0.0001398000000000, 0.0000162300000000, 0.0000340200000000 ] - [ -0.0000569200000000, 0.0000336700000000, 0.0000045700000000 ] - [ 0.0001534900000000, 0.0000429600000000, 0.0000880500000000 ] - [ -0.0003234900000000, 0.0002217600000000, 0.0000913600000000 ] - [ 0.0001462500000000, -0.0001573400000000, -0.0000798800000000 ] - [ 0.0001593100000000, -0.0000408500000000, 0.0001167600000000 ] - [ -0.0000406100000000, -0.0001174500000000, 0.0002441000000000 ] - [ -0.0000588700000000, 0.0001111500000000, -0.0002294000000000 ] - [ 0.0000665800000000, -0.0001193200000000, 0.0001753700000000 ] - [ 0.0000589000000000, -0.0000690200000000, 0.0002086100000000 ] - [ -0.0001118200000000, 0.0000267600000000, -0.0000252300000000 ] - [ 0.0000719100000000, -0.0001580600000000, 0.0005726500000000 ] - [ 0.0001839700000000, 0.0016368400000000, 0.0003964700000000 ] - [ -0.0001412500000000, -0.0001426000000000, -0.0002444200000000 ] - [ 0.0001484000000000, -0.0007336200000000, -0.0013115800000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009263900000000, 0.0000573700000000, -0.0003698400000000 ] - [ -0.0010266300000000, -0.0008818700000000, 0.0055797300000000 ] - [ 0.0002880000000000, 0.0000162000000000, -0.0000664700000000 ] - [ -0.0030638800000000, 0.0051492800000000, 0.0130702700000000 ] - [ 0.0013717000000000, -0.0001553400000000, 0.0010215800000000 ] - [ -0.0010595300000000, -0.0003164600000000, -0.0033083200000000 ] - [ 0.0000306500000000, 0.0000024800000000, -0.0003018700000000 ] - [ -0.0008768400000000, -0.0001575600000000, -0.0007965100000000 ] - [ -0.0034971200000000, -0.0002819900000000, 0.0023013400000000 ] - [ 0.0008673200000000, -0.0001354600000000, -0.0026197000000000 ] - [ 0.0005268700000000, 0.0008640000000000, -0.0079096100000000 ] - [ -0.0003817800000000, 0.0001550700000000, 0.0005517500000000 ] - [ 0.0021380200000000, -0.0000692100000000, 0.0004856100000000 ] - [ 0.0000083800000000, 0.0000203800000000, 0.0000612200000000 ] - [ 0.0013188600000000, -0.0004586900000000, -0.0046109200000000 ] - [ 0.0002331200000000, 0.0000189100000000, -0.0000904600000000 ] - [ 0.0005060300000000, -0.0000177600000000, -0.0005395800000000 ] - [ 0.0001292200000000, 0.0000051200000000, 0.0000945700000000 ] - [ -0.0061213300000000, -0.0013556600000000, 0.0082370800000000 ] - [ -0.0003642000000000, -0.0000020200000000, 0.0006462500000000 ] - [ -0.0000293700000000, -0.0000841000000000, 0.0000033300000000 ] - [ 0.0003509400000000, 0.0000703000000000, 0.0003518800000000 ] - [ 0.0000337400000000, -0.0000501400000000, 0.0001765100000000 ] - [ -0.0013131200000000, -0.0001116500000000, -0.0005817900000000 ] - [ -0.0038298100000000, 0.0007385600000000, -0.0025255500000000 ] - [ 0.0001960200000000, 0.0001740800000000, -0.0006347600000000 ] - [ 0.0001697800000000, 0.0001354600000000, 0.0007281700000000 ] - [ -0.0001792800000000, -0.0085432000000000, 0.0467768600000000 ] - [ -0.0001800600000000, -0.0007082700000000, -0.0064896100000000 ] - [ -0.0034945400000000, -0.0026658800000000, -0.0056240600000000 ] - [ 0.0099493900000000, -0.0037672400000000, 0.0002435000000000 ] - [ 0.0035876500000000, -0.0002826500000000, 0.0012491600000000 ] - [ -0.0001555300000000, -0.0001479500000000, 0.0001055600000000 ] - [ 0.0016396900000000, -0.0004419600000000, 0.0034396800000000 ] - [ -0.0007461000000000, -0.0002748000000000, -0.0023192400000000 ] - [ 0.0001305100000000, -0.0000612900000000, -0.0001471900000000 ] - [ 0.0001393100000000, 0.0000201800000000, 0.0000860200000000 ] - [ 0.0001112000000000, -0.0000687900000000, 0.0000205100000000 ] - [ 0.0002838300000000, -0.0000613700000000, -0.0004458600000000 ] - [ 0.0004830400000000, 0.0000388800000000, -0.0004081100000000 ] - [ -0.0005169900000000, 0.0002690000000000, -0.0004870300000000 ] - [ 0.0093158200000000, 0.0071676300000000, -0.0724881000000000 ] - [ 0.0001188500000000, 0.0003830800000000, 0.0034537600000000 ] - [ 0.0009790900000000, 0.0000237600000000, 0.0026450100000000 ] - [ 0.0001581400000000, -0.0159238600000000, 0.0007533200000000 ] - [ -0.0000035200000000, -0.0000283700000000, -0.0002417000000000 ] - [ -0.0067354300000000, 0.0031525200000000, 0.0085195200000000 ] - [ -0.0019346400000000, 0.0005320900000000, 0.0003299900000000 ] - [ 0.0054076700000000, 0.0003902500000000, 0.0035223100000000 ] - [ -0.0034032900000000, -0.0004342000000000, 0.0024708800000000 ] - [ -0.0007005000000000, 0.0007572300000000, 0.0039516900000000 ] - [ 0.0012339800000000, -0.0003319800000000, 0.0009200300000000 ] - [ -0.0002050300000000, 0.0002094300000000, -0.0001239100000000 ] - [ 0.0016807000000000, 0.0000935500000000, 0.0000641700000000 ] - [ -0.0051418800000000, 0.0081297000000000, -0.0058237800000000 ] - [ 0.0052944300000000, 0.0067737100000000, -0.0100905000000000 ] - [ 0.0000533300000000, -0.0000933400000000, 0.0002295300000000 ] - [ 0.0002051100000000, -0.0007369900000000, 0.0068623600000000 ] - [ 0.0006354300000000, -0.0003416200000000, 0.0034285400000000 ] - [ -0.0004450300000000, -0.0000289500000000, 0.0009027800000000 ] - [ 0.0049236900000000, 0.0017913200000000, 0.0075456400000000 ] - [ -0.0030195200000000, 0.0011444200000000, 0.0008595300000000 ] - [ -0.0019717600000000, -0.0009845500000000, -0.0025812600000000 ] - [ 0.0002505400000000, 0.0001040500000000, -0.0008181700000000 ] - [ -0.0000521800000000, 0.0000832900000000, 0.0003838500000000 ] - [ 0.0000066400000000, -0.0000939000000000, 0.0002374400000000 ] - [ -0.0003919900000000, -0.0002320700000000, -0.0004501400000000 ] - [ 0.0001933500000000, -0.0000359300000000, -0.0003019800000000 ] - [ -0.0008921000000000, -0.0001541700000000, 0.0014016800000000 ] - [ 0.0000193100000000, -0.0001255900000000, 0.0000672800000000 ] - [ 0.0000231900000000, 0.0001514600000000, -0.0000621200000000 ] - [ -0.0000361700000000, 0.0001045400000000, 0.0000000200000000 ] - [ 0.0000250200000000, 0.0001539900000000, -0.0000410900000000 ] - [ 0.0020600100000000, -0.0001313600000000, 0.0029288900000000 ] - [ -0.0002709600000000, -0.0000355700000000, -0.0001681000000000 ] - [ -0.0007769000000000, -0.0000636900000000, 0.0001958100000000 ] - [ 0.0001213800000000, -0.0000039000000000, 0.0000089800000000 ] - [ -0.0001779100000000, -0.0000157200000000, 0.0000424100000000 ] - [ -0.0002161200000000, -0.0000355200000000, -0.0000235300000000 ] - [ 0.0000297300000000, 0.0001402700000000, 0.0001172800000000 ] - [ -0.0024765700000000, 0.0011565000000000, 0.0001868100000000 ] - [ 0.0002762400000000, -0.0000547400000000, -0.0000564900000000 ] - [ -0.0002750900000000, 0.0000220000000000, 0.0001894600000000 ] - [ 0.0000004000000000, 0.0000372300000000, 0.0001615800000000 ] - [ 0.0008996700000000, -0.0006877200000000, -0.0016608600000000 ] - [ 0.0000024000000000, -0.0001838800000000, -0.0001671500000000 ] - [ -0.0000825700000000, -0.0000370400000000, -0.0000139500000000 ] - [ -0.0008296800000000, 0.0000670800000000, -0.0007511200000000 ] - [ -0.0001678300000000, 0.0000763400000000, -0.0002584800000000 ] - [ -0.0002160500000000, -0.0000737100000000, 0.0002808100000000 ] - [ -0.0001700200000000, -0.0000357100000000, 0.0004684300000000 ] - [ 0.0001239300000000, 0.0001451600000000, 0.0008174300000000 ] - [ -0.0003081100000000, 0.0007145700000000, -0.0016212100000000 ] - [ -0.0039700500000000, -0.0001142700000000, -0.0032337500000000 ] - [ -0.0001097000000000, 0.0001031700000000, 0.0011171300000000 ] - [ 0.0023589800000000, 0.0007760500000000, 0.0009588900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006845700000000, -0.0001282000000000, 0.0006023500000000 ] - [ 0.0007258900000000, 0.0013473100000000, -0.0060010700000000 ] - [ -0.0002896900000000, -0.0000160900000000, -0.0002928100000000 ] - [ 0.0028036400000000, -0.0049346100000000, -0.0128979500000000 ] - [ -0.0014317200000000, 0.0001420100000000, -0.0009842000000000 ] - [ 0.0011322300000000, 0.0003306800000000, 0.0033498800000000 ] - [ -0.0000289500000000, -0.0000042300000000, -0.0000580300000000 ] - [ 0.0008215200000000, 0.0001730400000000, 0.0008325700000000 ] - [ 0.0034802100000000, 0.0001241900000000, -0.0019502400000000 ] - [ -0.0008625800000000, 0.0003063800000000, 0.0029914900000000 ] - [ -0.0007735000000000, -0.0009125300000000, 0.0081349500000000 ] - [ 0.0006268300000000, -0.0000860000000000, -0.0003208400000000 ] - [ -0.0018922900000000, -0.0000005300000000, -0.0002606700000000 ] - [ -0.0002497100000000, 0.0000477500000000, 0.0001689200000000 ] - [ -0.0013358500000000, 0.0004619800000000, 0.0042599200000000 ] - [ -0.0001736400000000, -0.0000325600000000, 0.0001275900000000 ] - [ -0.0005689600000000, 0.0000027000000000, 0.0005742300000000 ] - [ -0.0000683800000000, 0.0000094700000000, -0.0000557000000000 ] - [ 0.0061935700000000, 0.0013954100000000, -0.0085440700000000 ] - [ 0.0003086500000000, 0.0000174200000000, -0.0006084900000000 ] - [ 0.0000312500000000, -0.0000872800000000, 0.0003655700000000 ] - [ -0.0003488000000000, 0.0001003800000000, 0.0000192500000000 ] - [ -0.0002745400000000, -0.0000199300000000, 0.0000565900000000 ] - [ 0.0015503200000000, 0.0001792200000000, 0.0008160100000000 ] - [ 0.0038473900000000, -0.0009463700000000, 0.0022275100000000 ] - [ -0.0001065000000000, -0.0000799800000000, 0.0005907500000000 ] - [ -0.0000887600000000, -0.0002308900000000, -0.0007666800000000 ] - [ 0.0001707900000000, 0.0097107100000000, -0.0470131300000000 ] - [ 0.0000973300000000, 0.0008083900000000, 0.0064710500000000 ] - [ 0.0034804900000000, 0.0026566000000000, 0.0052046400000000 ] - [ -0.0099600300000000, 0.0038318600000000, -0.0007640500000000 ] - [ -0.0035744900000000, 0.0004883300000000, -0.0015289500000000 ] - [ 0.0001598600000000, -0.0000553800000000, -0.0004029500000000 ] - [ -0.0015409000000000, 0.0005338900000000, -0.0034720300000000 ] - [ 0.0008215000000000, 0.0001859900000000, 0.0022801400000000 ] - [ -0.0002117100000000, -0.0000358100000000, 0.0001080000000000 ] - [ -0.0002206900000000, 0.0000689300000000, -0.0001231500000000 ] - [ -0.0001134800000000, 0.0000667800000000, -0.0004455000000000 ] - [ -0.0002858900000000, 0.0000618000000000, 0.0000177900000000 ] - [ -0.0004839300000000, 0.0001621900000000, 0.0001066400000000 ] - [ 0.0003032400000000, 0.0000610000000000, 0.0002819500000000 ] - [ -0.0089645800000000, -0.0094334200000000, 0.0730676400000000 ] - [ 0.0001060100000000, -0.0001217900000000, -0.0034629100000000 ] - [ -0.0009863900000000, 0.0001067100000000, -0.0021518700000000 ] - [ 0.0000899800000000, 0.0161416900000000, -0.0009521900000000 ] - [ 0.0002455000000000, 0.0000858200000000, 0.0003227700000000 ] - [ 0.0066180900000000, -0.0033841300000000, -0.0090590800000000 ] - [ 0.0017158800000000, -0.0005343200000000, -0.0002735100000000 ] - [ -0.0052255200000000, -0.0003881600000000, -0.0034673900000000 ] - [ 0.0035995800000000, 0.0004248300000000, -0.0024042800000000 ] - [ 0.0004681500000000, -0.0008125600000000, -0.0038783800000000 ] - [ -0.0012400200000000, 0.0005495200000000, -0.0005232500000000 ] - [ 0.0004079500000000, -0.0000177700000000, -0.0003086900000000 ] - [ -0.0019051100000000, -0.0000910100000000, 0.0000038000000000 ] - [ 0.0049037500000000, -0.0080299100000000, 0.0060066200000000 ] - [ -0.0051005600000000, -0.0066075500000000, 0.0103453800000000 ] - [ -0.0002690700000000, -0.0002366600000000, -0.0004298700000000 ] - [ 0.0000131500000000, 0.0004171200000000, -0.0071085700000000 ] - [ -0.0004477200000000, 0.0002592300000000, -0.0032471200000000 ] - [ 0.0002490900000000, -0.0000566500000000, -0.0007144300000000 ] - [ -0.0050803700000000, -0.0015821300000000, -0.0079231700000000 ] - [ 0.0030129600000000, -0.0013596300000000, -0.0004697100000000 ] - [ 0.0019846400000000, 0.0008562200000000, 0.0030618000000000 ] - [ -0.0004418100000000, -0.0000210000000000, 0.0010061800000000 ] - [ -0.0001760200000000, 0.0001816800000000, -0.0003863200000000 ] - [ 0.0002312900000000, 0.0000362700000000, -0.0001559300000000 ] - [ 0.0001674100000000, -0.0000348000000000, 0.0004463200000000 ] - [ 0.0000092600000000, -0.0001560900000000, -0.0001322900000000 ] - [ 0.0006826100000000, 0.0004856100000000, -0.0016033600000000 ] - [ 0.0002078600000000, -0.0001405200000000, -0.0000699300000000 ] - [ 0.0002042100000000, 0.0001123300000000, 0.0000570900000000 ] - [ 0.0000338300000000, 0.0000238400000000, 0.0004969700000000 ] - [ 0.0001896700000000, 0.0001770000000000, -0.0001620900000000 ] - [ -0.0018081300000000, 0.0001938900000000, -0.0028421900000000 ] - [ 0.0000701800000000, -0.0001580700000000, -0.0002627600000000 ] - [ 0.0005579100000000, 0.0000582900000000, -0.0001305800000000 ] - [ 0.0000920400000000, 0.0000082900000000, 0.0000536500000000 ] - [ 0.0003940900000000, 0.0000127000000000, 0.0000215600000000 ] - [ -0.0000215200000000, -0.0000244100000000, 0.0001025700000000 ] - [ -0.0000296600000000, 0.0000777200000000, 0.0002751200000000 ] - [ 0.0026835200000000, -0.0009723600000000, -0.0006035000000000 ] - [ -0.0004924800000000, 0.0000588400000000, 0.0001192000000000 ] - [ 0.0000354900000000, 0.0000398400000000, -0.0001072600000000 ] - [ 0.0001928800000000, 0.0000483800000000, 0.0000285700000000 ] - [ -0.0011190400000000, 0.0003575900000000, 0.0014538900000000 ] - [ 0.0002140900000000, -0.0001457200000000, -0.0000332700000000 ] - [ 0.0002705100000000, -0.0000465100000000, 0.0001969000000000 ] - [ 0.0006299100000000, -0.0001508200000000, 0.0009369600000000 ] - [ -0.0000355600000000, 0.0001145000000000, -0.0001773600000000 ] - [ 0.0002158100000000, -0.0001430000000000, 0.0001101700000000 ] - [ 0.0001689500000000, -0.0000926500000000, 0.0000278100000000 ] - [ -0.0003141700000000, -0.0000612800000000, -0.0006283200000000 ] - [ 0.0000755300000000, -0.0004494800000000, 0.0016161800000000 ] - [ 0.0041974500000000, 0.0000576000000000, 0.0033360200000000 ] - [ -0.0001121500000000, -0.0003717400000000, -0.0011194800000000 ] - [ -0.0021545000000000, -0.0009654000000000, -0.0014013500000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002592800000000, 0.0001967700000000, -0.0035215300000000 ] - [ -0.0017215100000000, -0.0010251400000000, -0.0028136300000000 ] - [ -0.0009362800000000, 0.0000592800000000, -0.0004042600000000 ] - [ 0.0027649200000000, 0.0001291200000000, -0.0004438900000000 ] - [ 0.0026812700000000, -0.0001428200000000, 0.0004788100000000 ] - [ 0.0135281200000000, -0.0020642100000000, 0.0029159800000000 ] - [ -0.0033996000000000, 0.0000009900000000, 0.0002359400000000 ] - [ 0.0128555700000000, 0.0015419700000000, -0.0027112000000000 ] - [ 0.0080367400000000, -0.0000824900000000, 0.0002100700000000 ] - [ 0.0122482700000000, 0.0000695000000000, 0.0002082500000000 ] - [ 0.0000496800000000, -0.0002435100000000, 0.0037583000000000 ] - [ -0.0015353100000000, 0.0010834800000000, 0.0030213900000000 ] - [ -0.0017638900000000, 0.0000235400000000, -0.0001530500000000 ] - [ -0.0019497000000000, 0.0000229000000000, -0.0001947800000000 ] - [ -0.0034102100000000, -0.0000003900000000, -0.0005952400000000 ] - [ -0.0020927400000000, -0.0002183600000000, 0.0003306000000000 ] - [ -0.0021681700000000, 0.0002044100000000, -0.0003009400000000 ] - [ -0.0018082600000000, 0.0001785400000000, 0.0002176500000000 ] - [ -0.0009306200000000, -0.0000598300000000, 0.0000547200000000 ] - [ -0.0018832000000000, -0.0001646500000000, -0.0001869300000000 ] - [ -0.0020684400000000, -0.0000825300000000, 0.0001876000000000 ] - [ -0.0019071100000000, 0.0000826200000000, 0.0001872000000000 ] - [ -0.0019814000000000, -0.0000722400000000, 0.0003710000000000 ] - [ -0.0017330100000000, 0.0000270800000000, 0.0004151400000000 ] - [ 0.0480166500000000, -0.0002522100000000, -0.0005618400000000 ] - [ -0.0048363900000000, 0.0029402100000000, -0.0028947700000000 ] - [ 0.0008552600000000, -0.0005158500000000, 0.0004673300000000 ] - [ 0.0008243500000000, 0.0004248000000000, -0.0005177300000000 ] - [ -0.0048987100000000, -0.0028812200000000, 0.0028656400000000 ] - [ -0.0029126200000000, 0.0003850100000000, 0.0016270800000000 ] - [ -0.0021127700000000, 0.0004190800000000, -0.0018570400000000 ] - [ 0.0059939100000000, 0.0000797100000000, -0.0001562500000000 ] - [ -0.0022017800000000, -0.0000783100000000, -0.0001599000000000 ] - [ -0.0019552700000000, 0.0000139500000000, -0.0002075700000000 ] - [ -0.0025405300000000, 0.0000235300000000, -0.0001566500000000 ] - [ -0.0025852200000000, -0.0001148300000000, 0.0000978900000000 ] - [ -0.0020056600000000, 0.0000775000000000, 0.0001515200000000 ] - [ -0.0021194900000000, -0.0004177800000000, 0.0014859800000000 ] - [ -0.0029075000000000, -0.0003856200000000, -0.0019805900000000 ] - [ -0.0023029700000000, 0.0000773800000000, -0.0001615000000000 ] - [ -0.0006718900000000, 0.0005529800000000, 0.0003661500000000 ] - [ -0.0000995900000000, -0.0002913900000000, 0.0009761900000000 ] - [ 0.0050812300000000, 0.0002829800000000, -0.0019930200000000 ] - [ -0.0793551800000000, 0.0008642400000000, 0.0003247000000000 ] - [ -0.0004472100000000, -0.0002312900000000, -0.0005685700000000 ] - [ 0.0003039100000000, -0.0000208100000000, -0.0006364200000000 ] - [ 0.0015546100000000, -0.0006081100000000, 0.0010358800000000 ] - [ -0.0040738700000000, 0.0000748000000000, 0.0021286300000000 ] - [ -0.0010410700000000, 0.0009590100000000, 0.0246193700000000 ] - [ -0.0038602000000000, -0.0000725700000000, -0.0020291500000000 ] - [ 0.0023043300000000, 0.0002733500000000, -0.0018884900000000 ] - [ -0.0137632100000000, 0.0000556200000000, 0.0001540900000000 ] - [ 0.0010148200000000, -0.0001585200000000, 0.0009316900000000 ] - [ -0.0011859400000000, -0.0009791600000000, -0.0243892400000000 ] - [ 0.0001020100000000, 0.0001584300000000, 0.0007202600000000 ] - [ -0.0018847800000000, 0.0003539700000000, 0.0008865400000000 ] - [ 0.0035943400000000, 0.0020667300000000, -0.0004170900000000 ] - [ 0.0038556000000000, -0.0024141100000000, 0.0002318300000000 ] - [ 0.0007312100000000, 0.0023005100000000, -0.0050586300000000 ] - [ 0.0005997100000000, -0.0023531600000000, 0.0051995700000000 ] - [ 0.0008037500000000, 0.0003427600000000, -0.0013682100000000 ] - [ -0.0027916200000000, -0.0000958900000000, 0.0002012700000000 ] - [ -0.0031393600000000, -0.0000612700000000, 0.0002153900000000 ] - [ -0.0020176400000000, -0.0002805000000000, -0.0007200100000000 ] - [ 0.0048026000000000, 0.0000005800000000, 0.0019640400000000 ] - [ 0.0024951700000000, -0.0004086500000000, 0.0019632800000000 ] - [ -0.0003234600000000, 0.0000043300000000, -0.0009901000000000 ] - [ 0.0017694800000000, 0.0004262800000000, -0.0014573500000000 ] - [ 0.0013783300000000, 0.0001973000000000, -0.0000329000000000 ] - [ 0.0015607600000000, -0.0001799800000000, -0.0000413200000000 ] - [ 0.0011720000000000, 0.0002034500000000, -0.0001759300000000 ] - [ 0.0013256200000000, 0.0000592700000000, 0.0002215400000000 ] - [ 0.0016103200000000, 0.0001254400000000, -0.0001610400000000 ] - [ 0.0021181200000000, 0.0000606600000000, 0.0001441000000000 ] - [ 0.0012012900000000, -0.0004725300000000, 0.0003325100000000 ] - [ 0.0017091200000000, -0.0000569700000000, -0.0001091200000000 ] - [ 0.0018868900000000, -0.0000293200000000, 0.0002982900000000 ] - [ 0.0019340700000000, 0.0000524100000000, 0.0002113300000000 ] - [ 0.0013582300000000, -0.0001195700000000, -0.0008393600000000 ] - [ 0.0012568500000000, 0.0000914400000000, 0.0001990000000000 ] - [ 0.0016596500000000, -0.0003786300000000, 0.0004289000000000 ] - [ 0.0016624800000000, 0.0000326400000000, -0.0001967000000000 ] - [ 0.0019209100000000, 0.0000804700000000, -0.0000635800000000 ] - [ 0.0018937600000000, 0.0001543700000000, 0.0003560500000000 ] - [ 0.0009788100000000, -0.0001231000000000, -0.0001803000000000 ] - [ 0.0012122900000000, -0.0001986400000000, -0.0000146900000000 ] - [ 0.0016225900000000, -0.0000737000000000, 0.0002224100000000 ] - [ 0.0014737100000000, -0.0000007900000000, -0.0000457200000000 ] - [ 0.0014503600000000, 0.0005639700000000, -0.0008562900000000 ] - [ 0.0013613500000000, -0.0000909000000000, 0.0001982600000000 ] - [ 0.0014784800000000, -0.0000600400000000, 0.0002204200000000 ] - [ 0.0017460600000000, -0.0000786300000000, -0.0001792600000000 ] - [ 0.0009379700000000, 0.0000833300000000, 0.0001645600000000 ] - [ 0.0015470700000000, -0.0000201900000000, 0.0009213000000000 ] - [ 0.0013286300000000, -0.0001085100000000, 0.0000296500000000 ] - [ 0.0014109100000000, 0.0002862500000000, -0.0007635000000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001632800000000, -0.0005783200000000, -0.0006485700000000 ] - [ -0.0013360000000000, -0.0000580900000000, 0.0007363800000000 ] - [ 0.0002665000000000, 0.0000231500000000, -0.0002138000000000 ] - [ -0.0004848700000000, 0.0001631800000000, -0.0000241200000000 ] - [ 0.0004848700000000, 0.0001631800000000, -0.0000241200000000 ] - [ -0.0040460500000000, 0.0033001800000000, -0.0009073400000000 ] - [ -0.0005083800000000, -0.0000211400000000, -0.0001822900000000 ] - [ 0.0040460500000000, 0.0033001800000000, -0.0009073400000000 ] - [ 0.0000000000000000, -0.0009811700000000, -0.0015038800000000 ] - [ 0.0000000000000000, 0.0092513900000000, -0.0097379800000000 ] - [ -0.0001632800000000, -0.0005783200000000, -0.0006485700000000 ] - [ 0.0013360000000000, -0.0000580900000000, 0.0007363800000000 ] - [ 0.0001274400000000, -0.0000303000000000, 0.0001940700000000 ] - [ -0.0000864000000000, 0.0000115800000000, 0.0000318000000000 ] - [ 0.0005083800000000, -0.0000211400000000, -0.0001822900000000 ] - [ 0.0000099400000000, -0.0000133300000000, 0.0000210200000000 ] - [ -0.0000099400000000, -0.0000133300000000, 0.0000210200000000 ] - [ 0.0000671200000000, 0.0000061700000000, 0.0000082000000000 ] - [ -0.0002665000000000, 0.0000231500000000, -0.0002138000000000 ] - [ -0.0000671200000000, 0.0000061700000000, 0.0000082000000000 ] - [ 0.0000000000000000, -0.0000757500000000, 0.0001550700000000 ] - [ 0.0000000000000000, 0.0000865500000000, 0.0002174000000000 ] - [ -0.0001274400000000, -0.0000303000000000, 0.0001940700000000 ] - [ 0.0000864000000000, 0.0000115800000000, 0.0000318000000000 ] - [ 0.0000000000000000, 0.0602483800000000, 0.0583408300000000 ] - [ 0.0027814900000000, 0.0014673600000000, -0.0017889700000000 ] - [ 0.0009001800000000, -0.0002009100000000, -0.0001034400000000 ] - [ -0.0009001800000000, -0.0002009100000000, -0.0001034400000000 ] - [ -0.0027814900000000, 0.0014673600000000, -0.0017889700000000 ] - [ 0.0000105500000000, 0.0000235900000000, -0.0005770000000000 ] - [ -0.0000993900000000, -0.0001815400000000, 0.0003316900000000 ] - [ 0.0000000000000000, -0.0007118900000000, -0.0013719000000000 ] - [ 0.0000000000000000, -0.0000815000000000, -0.0001723800000000 ] - [ -0.0000316400000000, 0.0000325900000000, 0.0000031900000000 ] - [ 0.0000815800000000, -0.0000442000000000, -0.0000761200000000 ] - [ -0.0000815800000000, -0.0000442000000000, -0.0000761200000000 ] - [ 0.0000316400000000, 0.0000325900000000, 0.0000031900000000 ] - [ 0.0000993900000000, -0.0001815400000000, 0.0003316900000000 ] - [ -0.0000105500000000, 0.0000235900000000, -0.0005770000000000 ] - [ 0.0000000000000000, 0.0000867900000000, -0.0001476700000000 ] - [ -0.0004718100000000, 0.0002043500000000, 0.0000850900000000 ] - [ 0.0004927400000000, -0.0000816900000000, -0.0000516500000000 ] - [ -0.0008748100000000, -0.0009153500000000, 0.0009138300000000 ] - [ 0.0000000000000000, -0.1015220700000000, -0.0561590600000000 ] - [ 0.0004718100000000, 0.0002043500000000, 0.0000850900000000 ] - [ -0.0003226000000000, 0.0001080500000000, -0.0002752700000000 ] - [ -0.0001776400000000, -0.0001004900000000, -0.0006890300000000 ] - [ -0.0005937900000000, -0.0008298600000000, 0.0009324900000000 ] - [ -0.0004739400000000, -0.0064927700000000, -0.0006471800000000 ] - [ 0.0005937900000000, -0.0008298600000000, 0.0009324900000000 ] - [ 0.0002076300000000, -0.0003887700000000, 0.0005210400000000 ] - [ 0.0000000000000000, 0.0272464700000000, 0.0145419700000000 ] - [ -0.0000694400000000, 0.0001886600000000, 0.0000291600000000 ] - [ 0.0004739400000000, -0.0064927700000000, -0.0006471800000000 ] - [ 0.0003226000000000, 0.0001080500000000, -0.0002752700000000 ] - [ 0.0010105000000000, -0.0000961900000000, 0.0004760700000000 ] - [ 0.0014016600000000, 0.0028042400000000, 0.0002394600000000 ] - [ -0.0014016600000000, 0.0028042400000000, 0.0002394600000000 ] - [ 0.0037005900000000, 0.0041985400000000, -0.0007544800000000 ] - [ -0.0037005900000000, 0.0041985400000000, -0.0007544800000000 ] - [ 0.0000694400000000, 0.0001886600000000, 0.0000291600000000 ] - [ 0.0000000000000000, 0.0011000400000000, -0.0006580000000000 ] - [ 0.0000000000000000, 0.0003608900000000, 0.0011308500000000 ] - [ -0.0010105000000000, -0.0000961900000000, 0.0004760700000000 ] - [ 0.0008748100000000, -0.0009153500000000, 0.0009138300000000 ] - [ -0.0002076300000000, -0.0003887700000000, 0.0005210400000000 ] - [ -0.0004927400000000, -0.0000816900000000, -0.0000516500000000 ] - [ 0.0001776400000000, -0.0001004900000000, -0.0006890300000000 ] - [ -0.0001795600000000, 0.0001447600000000, -0.0000974800000000 ] - [ 0.0001491400000000, -0.0001314800000000, 0.0000346600000000 ] - [ 0.0000687400000000, 0.0001421300000000, -0.0000348200000000 ] - [ 0.0000000000000000, 0.0000642800000000, 0.0002295300000000 ] - [ 0.0001795600000000, 0.0001447600000000, -0.0000974800000000 ] - [ 0.0000633000000000, 0.0000105600000000, 0.0001770200000000 ] - [ -0.0001738100000000, -0.0000729300000000, -0.0001084400000000 ] - [ -0.0001184600000000, -0.0000008200000000, 0.0000290600000000 ] - [ 0.0001111800000000, -0.0000035700000000, 0.0000686300000000 ] - [ 0.0001184600000000, -0.0000008200000000, 0.0000290600000000 ] - [ -0.0001386500000000, -0.0000531400000000, -0.0000838700000000 ] - [ 0.0000000000000000, 0.0000904400000000, 0.0002104600000000 ] - [ 0.0000577200000000, 0.0001032100000000, -0.0003974200000000 ] - [ -0.0001111800000000, -0.0000035700000000, 0.0000686300000000 ] - [ -0.0000633000000000, 0.0000105600000000, 0.0001770200000000 ] - [ 0.0001011300000000, 0.0000483600000000, 0.0001184900000000 ] - [ -0.0000675600000000, -0.0001700000000000, -0.0000930900000000 ] - [ 0.0000675600000000, -0.0001700000000000, -0.0000930900000000 ] - [ 0.0000519900000000, -0.0000244900000000, 0.0000606300000000 ] - [ -0.0000519900000000, -0.0000244900000000, 0.0000606300000000 ] - [ -0.0000577200000000, 0.0001032100000000, -0.0003974200000000 ] - [ 0.0000000000000000, -0.0000925100000000, 0.0001837500000000 ] - [ 0.0000000000000000, -0.0000528300000000, 0.0002259100000000 ] - [ -0.0001011300000000, 0.0000483600000000, 0.0001184900000000 ] - [ -0.0000687400000000, 0.0001421300000000, -0.0000348200000000 ] - [ 0.0001386500000000, -0.0000531400000000, -0.0000838700000000 ] - [ -0.0001491400000000, -0.0001314800000000, 0.0000346600000000 ] - [ 0.0001738100000000, -0.0000729300000000, -0.0001084400000000 ]- atom: 44 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000744100000000, 0.0005155300000000, 0.0008789900000000 ] - [ 0.0011335400000000, 0.0001348900000000, -0.0005167700000000 ] - [ -0.0002692400000000, -0.0000232900000000, -0.0001383600000000 ] - [ 0.0005538000000000, -0.0001783900000000, 0.0000696300000000 ] - [ -0.0005538000000000, -0.0001783900000000, 0.0000696300000000 ] - [ 0.0045063100000000, -0.0035969700000000, 0.0010445100000000 ] - [ 0.0005131600000000, 0.0000190600000000, -0.0001752800000000 ] - [ -0.0045063100000000, -0.0035969700000000, 0.0010445100000000 ] - [ 0.0000000000000000, 0.0007757300000000, 0.0018805000000000 ] - [ 0.0000000000000000, -0.0090259100000000, 0.0097905900000000 ] - [ -0.0000744100000000, 0.0005155300000000, 0.0008789900000000 ] - [ -0.0011335400000000, 0.0001348900000000, -0.0005167700000000 ] - [ 0.0001039900000000, -0.0000276700000000, 0.0000310000000000 ] - [ -0.0001424300000000, 0.0000449000000000, 0.0001892500000000 ] - [ -0.0005131600000000, 0.0000190600000000, -0.0001752800000000 ] - [ 0.0000589500000000, -0.0000024800000000, 0.0000103400000000 ] - [ -0.0000589500000000, -0.0000024800000000, 0.0000103400000000 ] - [ 0.0000019600000000, 0.0000090300000000, 0.0000243000000000 ] - [ 0.0002692400000000, -0.0000232900000000, -0.0001383600000000 ] - [ -0.0000019600000000, 0.0000090300000000, 0.0000243000000000 ] - [ 0.0000000000000000, -0.0000910200000000, 0.0002141900000000 ] - [ 0.0000000000000000, 0.0000805700000000, 0.0001556900000000 ] - [ -0.0001039900000000, -0.0000276700000000, 0.0000310000000000 ] - [ 0.0001424300000000, 0.0000449000000000, 0.0001892500000000 ] - [ 0.0000000000000000, -0.0602422700000000, -0.0566789800000000 ] - [ -0.0027068300000000, -0.0013489400000000, 0.0017301500000000 ] - [ -0.0008409200000000, 0.0001042000000000, 0.0000658300000000 ] - [ 0.0008409200000000, 0.0001042000000000, 0.0000658300000000 ] - [ 0.0027068300000000, -0.0013489400000000, 0.0017301500000000 ] - [ -0.0000155800000000, -0.0000216200000000, 0.0001786300000000 ] - [ 0.0001034800000000, 0.0001820300000000, -0.0007310900000000 ] - [ 0.0000000000000000, 0.0009055800000000, 0.0010827600000000 ] - [ 0.0000000000000000, -0.0001081000000000, -0.0001365700000000 ] - [ 0.0000998100000000, 0.0000576700000000, -0.0000478600000000 ] - [ -0.0000163600000000, -0.0000489900000000, 0.0000259300000000 ] - [ 0.0000163600000000, -0.0000489900000000, 0.0000259300000000 ] - [ -0.0000998100000000, 0.0000576700000000, -0.0000478600000000 ] - [ -0.0001034800000000, 0.0001820300000000, -0.0007310900000000 ] - [ 0.0000155800000000, -0.0000216200000000, 0.0001786300000000 ] - [ 0.0000000000000000, 0.0001011900000000, -0.0001631700000000 ] - [ 0.0002544300000000, 0.0001164300000000, -0.0002862600000000 ] - [ -0.0002751800000000, -0.0001757800000000, 0.0000383300000000 ] - [ 0.0010924300000000, 0.0011815000000000, -0.0009183500000000 ] - [ 0.0000000000000000, 0.1019055400000000, 0.0548057500000000 ] - [ -0.0002544300000000, 0.0001164300000000, -0.0002862600000000 ] - [ 0.0005502200000000, -0.0000171100000000, 0.0003514700000000 ] - [ -0.0000267600000000, -0.0000921500000000, 0.0002575000000000 ] - [ 0.0003679300000000, 0.0008328600000000, -0.0008681500000000 ] - [ 0.0005993100000000, 0.0064734900000000, 0.0005423600000000 ] - [ -0.0003679300000000, 0.0008328600000000, -0.0008681500000000 ] - [ -0.0004203200000000, 0.0002981500000000, -0.0004421900000000 ] - [ 0.0000000000000000, -0.0268682300000000, -0.0137969400000000 ] - [ 0.0002674200000000, 0.0000076300000000, -0.0004640300000000 ] - [ -0.0005993100000000, 0.0064734900000000, 0.0005423600000000 ] - [ -0.0005502200000000, -0.0000171100000000, 0.0003514700000000 ] - [ -0.0008402200000000, 0.0001717900000000, -0.0002991300000000 ] - [ -0.0016346400000000, -0.0031496400000000, -0.0004244400000000 ] - [ 0.0016346400000000, -0.0031496400000000, -0.0004244400000000 ] - [ -0.0034800600000000, -0.0042901600000000, 0.0009140700000000 ] - [ 0.0034800600000000, -0.0042901600000000, 0.0009140700000000 ] - [ -0.0002674200000000, 0.0000076300000000, -0.0004640300000000 ] - [ 0.0000000000000000, -0.0013089000000000, 0.0010455300000000 ] - [ 0.0000000000000000, -0.0004798000000000, -0.0006608300000000 ] - [ 0.0008402200000000, 0.0001717900000000, -0.0002991300000000 ] - [ -0.0010924300000000, 0.0011815000000000, -0.0009183500000000 ] - [ 0.0004203200000000, 0.0002981500000000, -0.0004421900000000 ] - [ 0.0002751800000000, -0.0001757800000000, 0.0000383300000000 ] - [ 0.0000267600000000, -0.0000921500000000, 0.0002575000000000 ] - [ -0.0000393900000000, 0.0001752800000000, -0.0000971600000000 ] - [ 0.0000747100000000, -0.0001287800000000, -0.0000380100000000 ] - [ 0.0001567700000000, 0.0001159200000000, 0.0000281500000000 ] - [ 0.0000000000000000, 0.0000584200000000, 0.0002566600000000 ] - [ 0.0000393900000000, 0.0001752800000000, -0.0000971600000000 ] - [ 0.0001618200000000, 0.0000808800000000, -0.0000945500000000 ] - [ -0.0000259200000000, -0.0001247000000000, -0.0003229700000000 ] - [ -0.0001065100000000, 0.0000025400000000, 0.0000455300000000 ] - [ 0.0001129700000000, 0.0000010600000000, 0.0000079800000000 ] - [ 0.0001065100000000, 0.0000025400000000, 0.0000455300000000 ] - [ -0.0000805200000000, -0.0000381300000000, 0.0001610500000000 ] - [ 0.0000000000000000, 0.0001146600000000, 0.0001807400000000 ] - [ 0.0001400700000000, 0.0000941600000000, -0.0000377900000000 ] - [ -0.0001129700000000, 0.0000010600000000, 0.0000079800000000 ] - [ -0.0001618200000000, 0.0000808800000000, -0.0000945500000000 ] - [ 0.0000759100000000, 0.0000296400000000, 0.0000689800000000 ] - [ -0.0001516700000000, -0.0001500300000000, -0.0001019400000000 ] - [ 0.0001516700000000, -0.0001500300000000, -0.0001019400000000 ] - [ 0.0001243700000000, -0.0000523600000000, 0.0001220300000000 ] - [ -0.0001243700000000, -0.0000523600000000, 0.0001220300000000 ] - [ -0.0001400700000000, 0.0000941600000000, -0.0000377900000000 ] - [ 0.0000000000000000, -0.0001114200000000, 0.0002049600000000 ] - [ 0.0000000000000000, -0.0000689300000000, 0.0002557700000000 ] - [ -0.0000759100000000, 0.0000296400000000, 0.0000689800000000 ] - [ -0.0001567700000000, 0.0001159200000000, 0.0000281500000000 ] - [ 0.0000805200000000, -0.0000381300000000, 0.0001610500000000 ] - [ -0.0000747100000000, -0.0001287800000000, -0.0000380100000000 ] - [ 0.0000259200000000, -0.0001247000000000, -0.0003229700000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0038899200000000, -0.0002697000000000, -0.0015613900000000 ] - [ -0.0065832700000000, -0.0022359600000000, -0.0007969500000000 ] - [ 0.0001363500000000, -0.0000319400000000, -0.0014647300000000 ] - [ 0.0021836200000000, 0.0004547100000000, -0.0054400200000000 ] - [ -0.0021836200000000, 0.0004547100000000, -0.0054400200000000 ] - [ -0.0009922700000000, 0.0004008200000000, 0.0164628600000000 ] - [ -0.0002459800000000, -0.0001310000000000, 0.0014816900000000 ] - [ 0.0009922700000000, 0.0004008200000000, 0.0164628600000000 ] - [ 0.0000000000000000, 0.0030556900000000, -0.0092319000000000 ] - [ 0.0000000000000000, -0.0085520100000000, 0.0187643100000000 ] - [ 0.0038899200000000, -0.0002697000000000, -0.0015613900000000 ] - [ 0.0065832700000000, -0.0022359600000000, -0.0007969500000000 ] - [ -0.0002878200000000, -0.0000031000000000, 0.0001722800000000 ] - [ -0.0004725100000000, 0.0000485000000000, 0.0000121300000000 ] - [ 0.0002459800000000, -0.0001310000000000, 0.0014816900000000 ] - [ 0.0000444900000000, -0.0000156900000000, 0.0002178900000000 ] - [ -0.0000444900000000, -0.0000156900000000, 0.0002178900000000 ] - [ 0.0000328900000000, -0.0000054800000000, -0.0001767000000000 ] - [ -0.0001363500000000, -0.0000319400000000, -0.0014647300000000 ] - [ -0.0000328900000000, -0.0000054800000000, -0.0001767000000000 ] - [ 0.0000000000000000, -0.0000676200000000, 0.0001813700000000 ] - [ 0.0000000000000000, 0.0000958600000000, 0.0001903900000000 ] - [ 0.0002878200000000, -0.0000031000000000, 0.0001722800000000 ] - [ 0.0004725100000000, 0.0000485000000000, 0.0000121300000000 ] - [ 0.0000000000000000, 0.0611623200000000, 0.1813812300000000 ] - [ -0.0058792800000000, 0.0003352800000000, 0.0062832800000000 ] - [ 0.0019111500000000, 0.0001116200000000, -0.0039080400000000 ] - [ -0.0019111500000000, 0.0001116200000000, -0.0039080400000000 ] - [ 0.0058792800000000, 0.0003352800000000, 0.0062832800000000 ] - [ 0.0014390700000000, -0.0000621400000000, -0.0006126800000000 ] - [ -0.0015022800000000, 0.0002970000000000, -0.0004729500000000 ] - [ 0.0000000000000000, 0.0010930900000000, -0.0083875300000000 ] - [ 0.0000000000000000, -0.0000424500000000, -0.0003301800000000 ] - [ -0.0003856500000000, 0.0000813300000000, -0.0005700000000000 ] - [ 0.0004736800000000, -0.0000261000000000, 0.0005593000000000 ] - [ -0.0004736800000000, -0.0000261000000000, 0.0005593000000000 ] - [ 0.0003856500000000, 0.0000813300000000, -0.0005700000000000 ] - [ 0.0015022800000000, 0.0002970000000000, -0.0004729500000000 ] - [ -0.0014390700000000, -0.0000621400000000, -0.0006126800000000 ] - [ 0.0000000000000000, 0.0001175900000000, 0.0000141000000000 ] - [ 0.0002405400000000, -0.0000528200000000, 0.0027114900000000 ] - [ 0.0008356100000000, -0.0000986000000000, 0.0024025000000000 ] - [ -0.0026386000000000, 0.0007114800000000, -0.0028035700000000 ] - [ 0.0000000000000000, -0.0587441000000000, -0.2824536900000000 ] - [ -0.0002405400000000, -0.0000528200000000, 0.0027114900000000 ] - [ -0.0008538000000000, 0.0004810100000000, 0.0008997100000000 ] - [ 0.0016909200000000, -0.0010193500000000, -0.0008545800000000 ] - [ 0.0023895900000000, 0.0013661200000000, 0.0064447800000000 ] - [ 0.0196974000000000, 0.0016793400000000, 0.0263767800000000 ] - [ -0.0023895900000000, 0.0013661200000000, 0.0064447800000000 ] - [ -0.0020003400000000, 0.0000711400000000, -0.0003688300000000 ] - [ 0.0000000000000000, 0.0091088700000000, 0.0003946500000000 ] - [ 0.0012483700000000, -0.0004519100000000, 0.0005056700000000 ] - [ -0.0196974000000000, 0.0016793400000000, 0.0263767800000000 ] - [ 0.0008538000000000, 0.0004810100000000, 0.0008997100000000 ] - [ 0.0020995200000000, -0.0000910300000000, 0.0039820700000000 ] - [ -0.0008145500000000, -0.0005744600000000, -0.0043709300000000 ] - [ 0.0008145500000000, -0.0005744600000000, -0.0043709300000000 ] - [ -0.0076841000000000, -0.0028240600000000, -0.0030272500000000 ] - [ 0.0076841000000000, -0.0028240600000000, -0.0030272500000000 ] - [ -0.0012483700000000, -0.0004519100000000, 0.0005056700000000 ] - [ 0.0000000000000000, -0.0022137400000000, 0.0070070100000000 ] - [ 0.0000000000000000, -0.0009661300000000, 0.0076948200000000 ] - [ -0.0020995200000000, -0.0000910300000000, 0.0039820700000000 ] - [ 0.0026386000000000, 0.0007114800000000, -0.0028035700000000 ] - [ 0.0020003400000000, 0.0000711400000000, -0.0003688300000000 ] - [ -0.0008356100000000, -0.0000986000000000, 0.0024025000000000 ] - [ -0.0016909200000000, -0.0010193500000000, -0.0008545800000000 ] - [ -0.0000636200000000, 0.0002159300000000, -0.0005184600000000 ] - [ 0.0003153000000000, -0.0001856300000000, -0.0002435900000000 ] - [ -0.0000469200000000, 0.0000896100000000, 0.0002247900000000 ] - [ 0.0000000000000000, 0.0000606100000000, 0.0003435900000000 ] - [ 0.0000636200000000, 0.0002159300000000, -0.0005184600000000 ] - [ -0.0006146200000000, 0.0001945900000000, -0.0002799300000000 ] - [ 0.0003908100000000, -0.0002607500000000, 0.0001790300000000 ] - [ -0.0000263000000000, 0.0000095100000000, -0.0000470500000000 ] - [ 0.0001984700000000, 0.0000097000000000, 0.0001478300000000 ] - [ 0.0000263000000000, 0.0000095100000000, -0.0000470500000000 ] - [ -0.0007393500000000, 0.0000179900000000, 0.0004968200000000 ] - [ 0.0000000000000000, 0.0000723600000000, 0.0002779400000000 ] - [ 0.0006899800000000, -0.0001520100000000, -0.0005465400000000 ] - [ -0.0001984700000000, 0.0000097000000000, 0.0001478300000000 ] - [ 0.0006146200000000, 0.0001945900000000, -0.0002799300000000 ] - [ 0.0002365000000000, 0.0000502600000000, -0.0000375800000000 ] - [ -0.0001510300000000, -0.0001074800000000, 0.0002983400000000 ] - [ 0.0001510300000000, -0.0001074800000000, 0.0002983400000000 ] - [ -0.0000763000000000, -0.0000304100000000, 0.0002105000000000 ] - [ 0.0000763000000000, -0.0000304100000000, 0.0002105000000000 ] - [ -0.0006899800000000, -0.0001520100000000, -0.0005465400000000 ] - [ 0.0000000000000000, -0.0001141000000000, 0.0001180300000000 ] - [ 0.0000000000000000, -0.0000589500000000, 0.0000999600000000 ] - [ -0.0002365000000000, 0.0000502600000000, -0.0000375800000000 ] - [ 0.0000469200000000, 0.0000896100000000, 0.0002247900000000 ] - [ 0.0007393500000000, 0.0000179900000000, 0.0004968200000000 ] - [ -0.0003153000000000, -0.0001856300000000, -0.0002435900000000 ] - [ -0.0003908100000000, -0.0002607500000000, 0.0001790300000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0041390000000000, 0.0002260300000000, 0.0017597500000000 ] - [ 0.0063610200000000, 0.0022766400000000, 0.0010403200000000 ] - [ -0.0001285200000000, 0.0000323000000000, 0.0011095000000000 ] - [ -0.0021333100000000, -0.0004736500000000, 0.0054891200000000 ] - [ 0.0021333100000000, -0.0004736500000000, 0.0054891200000000 ] - [ 0.0011135900000000, -0.0003966700000000, -0.0164853600000000 ] - [ 0.0002348300000000, 0.0001324000000000, -0.0018330500000000 ] - [ -0.0011135900000000, -0.0003966700000000, -0.0164853600000000 ] - [ 0.0000000000000000, -0.0031972000000000, 0.0096547800000000 ] - [ 0.0000000000000000, 0.0094901500000000, -0.0197126700000000 ] - [ -0.0041390000000000, 0.0002260300000000, 0.0017597500000000 ] - [ -0.0063610200000000, 0.0022766400000000, 0.0010403200000000 ] - [ 0.0005055700000000, -0.0000463500000000, 0.0000506200000000 ] - [ 0.0002544600000000, 0.0000012200000000, 0.0002043800000000 ] - [ -0.0002348300000000, 0.0001324000000000, -0.0018330500000000 ] - [ 0.0000298500000000, 0.0000008800000000, -0.0001865900000000 ] - [ -0.0000298500000000, 0.0000008800000000, -0.0001865900000000 ] - [ 0.0000435600000000, 0.0000200500000000, 0.0002068600000000 ] - [ 0.0001285200000000, 0.0000323000000000, 0.0011095000000000 ] - [ -0.0000435600000000, 0.0000200500000000, 0.0002068600000000 ] - [ 0.0000000000000000, -0.0000963100000000, 0.0001922800000000 ] - [ 0.0000000000000000, 0.0000686900000000, 0.0001860800000000 ] - [ -0.0005055700000000, -0.0000463500000000, 0.0000506200000000 ] - [ -0.0002544600000000, 0.0000012200000000, 0.0002043800000000 ] - [ 0.0000000000000000, -0.0557505700000000, -0.1711427100000000 ] - [ 0.0059156500000000, -0.0002261200000000, -0.0063787500000000 ] - [ -0.0018531900000000, -0.0001972500000000, 0.0038610100000000 ] - [ 0.0018531900000000, -0.0001972500000000, 0.0038610100000000 ] - [ -0.0059156500000000, -0.0002261200000000, -0.0063787500000000 ] - [ -0.0014382400000000, 0.0000590900000000, 0.0002361400000000 ] - [ 0.0014979000000000, -0.0002996300000000, 0.0001232100000000 ] - [ 0.0000000000000000, -0.0009433600000000, 0.0081033800000000 ] - [ 0.0000000000000000, -0.0001185800000000, 0.0000097300000000 ] - [ 0.0004323200000000, 0.0000091500000000, 0.0005141900000000 ] - [ -0.0004237400000000, -0.0000654400000000, -0.0006172600000000 ] - [ 0.0004237400000000, -0.0000654400000000, -0.0006172600000000 ] - [ -0.0004323200000000, 0.0000091500000000, 0.0005141900000000 ] - [ -0.0014979000000000, -0.0002996300000000, 0.0001232100000000 ] - [ 0.0014382400000000, 0.0000590900000000, 0.0002361400000000 ] - [ 0.0000000000000000, 0.0000416900000000, -0.0003344600000000 ] - [ -0.0004834800000000, 0.0003741300000000, -0.0029049200000000 ] - [ -0.0005933200000000, -0.0001848800000000, -0.0024185400000000 ] - [ 0.0028519400000000, -0.0004346300000000, 0.0028219400000000 ] - [ 0.0000000000000000, 0.0522950500000000, 0.2728939900000000 ] - [ 0.0004834800000000, 0.0003741300000000, -0.0029049200000000 ] - [ 0.0010420100000000, -0.0003408500000000, -0.0008239200000000 ] - [ -0.0019002500000000, 0.0008316300000000, 0.0004146500000000 ] - [ -0.0026514500000000, -0.0013801100000000, -0.0063757400000000 ] - [ -0.0191494200000000, -0.0016290500000000, -0.0258894100000000 ] - [ 0.0026514500000000, -0.0013801100000000, -0.0063757400000000 ] - [ 0.0018014500000000, -0.0002129200000000, 0.0004661600000000 ] - [ 0.0000000000000000, -0.0088755500000000, -0.0001092800000000 ] - [ -0.0010456000000000, 0.0006403900000000, -0.0009238100000000 ] - [ 0.0191494200000000, -0.0016290500000000, -0.0258894100000000 ] - [ -0.0010420100000000, -0.0003408500000000, -0.0008239200000000 ] - [ -0.0019490500000000, 0.0001651700000000, -0.0038191900000000 ] - [ 0.0006142800000000, 0.0002850900000000, 0.0041849300000000 ] - [ -0.0006142800000000, 0.0002850900000000, 0.0041849300000000 ] - [ 0.0078593100000000, 0.0027539100000000, 0.0032734500000000 ] - [ -0.0078593100000000, 0.0027539100000000, 0.0032734500000000 ] - [ 0.0010456000000000, 0.0006403900000000, -0.0009238100000000 ] - [ 0.0000000000000000, 0.0020554100000000, -0.0066680100000000 ] - [ 0.0000000000000000, 0.0008555600000000, -0.0072809200000000 ] - [ 0.0019490500000000, 0.0001651700000000, -0.0038191900000000 ] - [ -0.0028519400000000, -0.0004346300000000, 0.0028219400000000 ] - [ -0.0018014500000000, -0.0002129200000000, 0.0004661600000000 ] - [ 0.0005933200000000, -0.0001848800000000, -0.0024185400000000 ] - [ 0.0019002500000000, 0.0008316300000000, 0.0004146500000000 ] - [ -0.0001708600000000, 0.0001053100000000, 0.0003248300000000 ] - [ -0.0000809600000000, -0.0000976700000000, 0.0002324800000000 ] - [ 0.0002781300000000, 0.0001921100000000, -0.0002374300000000 ] - [ 0.0000000000000000, 0.0000577600000000, 0.0001029600000000 ] - [ 0.0001708600000000, 0.0001053100000000, 0.0003248300000000 ] - [ 0.0008093200000000, -0.0000561300000000, 0.0003683700000000 ] - [ -0.0006005900000000, 0.0000742900000000, -0.0006002000000000 ] - [ -0.0002009100000000, -0.0000117500000000, 0.0001484400000000 ] - [ 0.0000295000000000, -0.0000094000000000, -0.0000438600000000 ] - [ 0.0002009100000000, -0.0000117500000000, 0.0001484400000000 ] - [ 0.0005426500000000, -0.0001562200000000, -0.0004164500000000 ] - [ 0.0000000000000000, 0.0001123400000000, 0.0001209800000000 ] - [ -0.0004824900000000, 0.0003380800000000, 0.0001124300000000 ] - [ -0.0000295000000000, -0.0000094000000000, -0.0000438600000000 ] - [ -0.0008093200000000, -0.0000561300000000, 0.0003683700000000 ] - [ -0.0000858900000000, 0.0000251400000000, 0.0002161800000000 ] - [ -0.0000801900000000, -0.0002136800000000, -0.0004896400000000 ] - [ 0.0000801900000000, -0.0002136800000000, -0.0004896400000000 ] - [ 0.0002245800000000, -0.0000434600000000, -0.0000341400000000 ] - [ -0.0002245800000000, -0.0000434600000000, -0.0000341400000000 ] - [ 0.0004824900000000, 0.0003380800000000, 0.0001124300000000 ] - [ 0.0000000000000000, -0.0000692200000000, 0.0002776000000000 ] - [ 0.0000000000000000, -0.0000601100000000, 0.0003448100000000 ] - [ 0.0000858900000000, 0.0000251400000000, 0.0002161800000000 ] - [ -0.0002781300000000, 0.0001921100000000, -0.0002374300000000 ] - [ -0.0005426500000000, -0.0001562200000000, -0.0004164500000000 ] - [ 0.0000809600000000, -0.0000976700000000, 0.0002324800000000 ] - [ 0.0006005900000000, 0.0000742900000000, -0.0006002000000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0035108600000000, -0.0013011300000000, -0.0037427400000000 ] - [ -0.0024896500000000, 0.0001246900000000, 0.0004814300000000 ] - [ 0.0147943000000000, 0.0006190900000000, 0.0048025800000000 ] - [ -0.0029813200000000, -0.0001485400000000, -0.0002805600000000 ] - [ -0.0017543600000000, 0.0032070300000000, -0.0055301800000000 ] - [ -0.0017298200000000, 0.0001515500000000, 0.0007163400000000 ] - [ 0.0064910700000000, 0.0013983500000000, -0.0047415100000000 ] - [ 0.0026580500000000, 0.0001439400000000, 0.0019386200000000 ] - [ -0.0058239500000000, -0.0022923500000000, 0.0030742100000000 ] - [ -0.0001936800000000, -0.0001221400000000, -0.0011272700000000 ] - [ -0.0022430000000000, -0.0000629800000000, -0.0002302500000000 ] - [ 0.0137786300000000, -0.0000612700000000, 0.0050305900000000 ] - [ -0.0022677800000000, 0.0000033500000000, 0.0001153400000000 ] - [ 0.0012404000000000, -0.0002806400000000, 0.0009964900000000 ] - [ -0.0023276900000000, -0.0000727000000000, -0.0001185800000000 ] - [ -0.0022207800000000, 0.0003023400000000, -0.0017081900000000 ] - [ -0.0023825000000000, 0.0002296300000000, -0.0004767700000000 ] - [ -0.0025933300000000, -0.0000884200000000, 0.0026417400000000 ] - [ -0.0025949200000000, 0.0001011300000000, -0.0002409300000000 ] - [ -0.0025334100000000, -0.0002360600000000, -0.0001101200000000 ] - [ -0.0015533500000000, -0.0001882000000000, 0.0003509000000000 ] - [ -0.0033096000000000, 0.0000408900000000, -0.0000337800000000 ] - [ -0.0051848000000000, -0.0018572100000000, -0.0025622700000000 ] - [ -0.0020643000000000, -0.0000197300000000, 0.0001436700000000 ] - [ -0.0016616600000000, 0.0000360200000000, 0.0019364900000000 ] - [ 0.0040518800000000, 0.0004718100000000, 0.0001531800000000 ] - [ 0.0977074900000000, 0.0308171400000000, 0.0404666900000000 ] - [ -0.0033815200000000, -0.0002666200000000, -0.0001111900000000 ] - [ -0.0022963900000000, 0.0000932900000000, 0.0002668000000000 ] - [ -0.0030229000000000, 0.0000687100000000, -0.0003258000000000 ] - [ -0.0033067600000000, -0.0001917000000000, -0.0000174000000000 ] - [ -0.0018257800000000, -0.0007283700000000, -0.0031929000000000 ] - [ -0.0021764800000000, -0.0002332500000000, 0.0008908800000000 ] - [ -0.0028971300000000, -0.0000583200000000, -0.0001285000000000 ] - [ -0.0025560500000000, -0.0000003400000000, -0.0002817000000000 ] - [ 0.0012883800000000, -0.0006608000000000, -0.0034168800000000 ] - [ -0.0076751400000000, 0.0016208900000000, 0.0070270300000000 ] - [ 0.0773147100000000, -0.0383306500000000, 0.0454142200000000 ] - [ 0.0065306000000000, -0.0001077400000000, -0.0009875300000000 ] - [ -0.0032213400000000, -0.0001900900000000, -0.0011864000000000 ] - [ -0.0004121700000000, 0.0006375400000000, 0.0173392800000000 ] - [ 0.0018623800000000, -0.0001508400000000, -0.0001268800000000 ] - [ 0.0014079200000000, 0.0002200800000000, -0.0001141000000000 ] - [ 0.0001980500000000, -0.0003657600000000, -0.0007318600000000 ] - [ 0.0018620100000000, 0.0002303900000000, 0.0001878800000000 ] - [ -0.2413947800000000, 0.0225984900000000, -0.1342432000000000 ] - [ 0.0017115800000000, -0.0006406100000000, -0.0003426400000000 ] - [ -0.0001845100000000, -0.0003248500000000, 0.0023563200000000 ] - [ 0.0020497200000000, 0.0005319500000000, -0.0009590600000000 ] - [ 0.0019238100000000, 0.0002898300000000, 0.0012250700000000 ] - [ 0.0017570700000000, -0.0001613600000000, -0.0005127800000000 ] - [ 0.0007614500000000, 0.0001158300000000, -0.0015383900000000 ] - [ -0.0049796000000000, 0.0015259300000000, -0.0001128600000000 ] - [ 0.0010472200000000, -0.0000820700000000, -0.0028559900000000 ] - [ 0.0022642500000000, 0.0001738700000000, -0.0007277800000000 ] - [ 0.0030157800000000, 0.0000363800000000, 0.0004166000000000 ] - [ -0.0039036100000000, 0.0005908800000000, -0.0015826500000000 ] - [ 0.0015005700000000, -0.0000963200000000, -0.0002704600000000 ] - [ 0.0015428800000000, -0.0002169000000000, 0.0003562700000000 ] - [ -0.0022069800000000, -0.0006604700000000, 0.0010197500000000 ] - [ 0.0016381600000000, 0.0006038400000000, -0.0000980600000000 ] - [ 0.0017186900000000, 0.0001270100000000, 0.0020926900000000 ] - [ 0.0023988500000000, 0.0002437500000000, 0.0021253300000000 ] - [ 0.0366031800000000, -0.0001791400000000, 0.0065841700000000 ] - [ -0.0027958600000000, 0.0002172600000000, 0.0005888100000000 ] - [ -0.0035760600000000, -0.0001055000000000, -0.0003758600000000 ] - [ -0.0027897200000000, 0.0091149900000000, 0.0050306800000000 ] - [ -0.0128439600000000, -0.0023949100000000, -0.0013632800000000 ] - [ 0.0014140100000000, 0.0001705500000000, -0.0000618800000000 ] - [ -0.0003467600000000, 0.0001281500000000, 0.0019319700000000 ] - [ 0.0073785100000000, 0.0002256700000000, -0.0040710800000000 ] - [ 0.0020191500000000, 0.0000228200000000, -0.0004919900000000 ] - [ 0.0000013400000000, -0.0000260200000000, 0.0030267600000000 ] - [ 0.0020617800000000, -0.0000088400000000, 0.0007077000000000 ] - [ -0.0034969600000000, 0.0005570700000000, -0.0013390900000000 ] - [ 0.0023471700000000, 0.0000136000000000, 0.0000608000000000 ] - [ 0.0011415900000000, -0.0002262900000000, -0.0006706200000000 ] - [ 0.0034886700000000, -0.0000141300000000, 0.0013102700000000 ] - [ 0.0130247100000000, -0.0180692700000000, 0.0004671100000000 ] - [ 0.0015459400000000, 0.0002330700000000, -0.0003098500000000 ] - [ 0.0019354100000000, -0.0004581000000000, -0.0002638900000000 ] - [ 0.0018174300000000, 0.0001220800000000, -0.0004638400000000 ] - [ -0.0030622300000000, -0.0001271700000000, 0.0019731400000000 ] - [ 0.0002514100000000, -0.0000408500000000, 0.0008784300000000 ] - [ 0.0014867300000000, -0.0001498200000000, -0.0001811500000000 ] - [ 0.0001930800000000, -0.0012860200000000, -0.0041099600000000 ] - [ 0.0040196400000000, -0.0002801000000000, -0.0006165100000000 ] - [ 0.0021748200000000, 0.0000267900000000, -0.0002335200000000 ] - [ 0.0096035800000000, -0.0049616700000000, 0.0209572600000000 ] - [ 0.0015685100000000, 0.0000265400000000, 0.0006910500000000 ] - [ 0.0014530500000000, -0.0001015000000000, 0.0008592900000000 ] - [ 0.0017571400000000, -0.0000755500000000, -0.0000817400000000 ] - [ 0.0014768700000000, 0.0001045100000000, 0.0000946300000000 ] - [ 0.0022789100000000, 0.0000394100000000, 0.0006816300000000 ] - [ 0.0013391700000000, -0.0000804700000000, 0.0001531400000000 ] - [ 0.0018540300000000, 0.0004256600000000, -0.0001608000000000 ]- atom: 46 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0032753300000000, 0.0012451300000000, 0.0039661800000000 ] - [ 0.0022554000000000, -0.0000655800000000, -0.0002520400000000 ] - [ -0.0148040500000000, -0.0006517800000000, -0.0051241400000000 ] - [ 0.0030429200000000, 0.0001350900000000, 0.0003061700000000 ] - [ 0.0017129300000000, -0.0032035200000000, 0.0055399600000000 ] - [ 0.0017961200000000, -0.0001384400000000, -0.0006816100000000 ] - [ -0.0065112700000000, -0.0014165400000000, 0.0043522900000000 ] - [ -0.0027008300000000, -0.0001301300000000, -0.0019015900000000 ] - [ 0.0058055000000000, 0.0021060600000000, -0.0026838800000000 ] - [ 0.0001999100000000, 0.0002902700000000, 0.0014937700000000 ] - [ 0.0020116700000000, 0.0000045900000000, 0.0004496800000000 ] - [ -0.0133785300000000, -0.0000204900000000, -0.0049085000000000 ] - [ 0.0024968600000000, -0.0000633900000000, 0.0001125900000000 ] - [ -0.0014768100000000, 0.0003406400000000, -0.0007807600000000 ] - [ 0.0023264400000000, 0.0000726100000000, -0.0002354300000000 ] - [ 0.0022786000000000, -0.0003189000000000, 0.0017417800000000 ] - [ 0.0023121300000000, -0.0002448100000000, 0.0005083900000000 ] - [ 0.0026631700000000, 0.0001078000000000, -0.0026160700000000 ] - [ 0.0025924500000000, -0.0001015900000000, -0.0001162000000000 ] - [ 0.0024651600000000, 0.0002495800000000, 0.0001411800000000 ] - [ 0.0015496900000000, 0.0000204400000000, 0.0000170400000000 ] - [ 0.0033089800000000, 0.0001264800000000, 0.0004110200000000 ] - [ 0.0049511300000000, 0.0017995800000000, 0.0028168500000000 ] - [ 0.0022914000000000, 0.0000773600000000, 0.0000778800000000 ] - [ 0.0016698800000000, -0.0002090800000000, -0.0022401400000000 ] - [ -0.0039739400000000, -0.0003727300000000, -0.0002236100000000 ] - [ -0.0934345400000000, -0.0283359300000000, -0.0369964300000000 ] - [ 0.0033077000000000, 0.0001739700000000, 0.0000593700000000 ] - [ 0.0022273500000000, 0.0000029500000000, -0.0003180000000000 ] - [ 0.0030214100000000, -0.0000695100000000, -0.0000759200000000 ] - [ 0.0033051100000000, 0.0001910000000000, -0.0003773700000000 ] - [ 0.0018309900000000, 0.0009054800000000, 0.0028611800000000 ] - [ 0.0021758500000000, 0.0000534500000000, -0.0012076300000000 ] - [ 0.0029621600000000, 0.0001500900000000, 0.0000798200000000 ] - [ 0.0026202800000000, -0.0000916300000000, 0.0002302600000000 ] - [ -0.0013626800000000, 0.0005655600000000, 0.0033585700000000 ] - [ 0.0076160100000000, -0.0015559600000000, -0.0070799000000000 ] - [ -0.0784004200000000, 0.0404202900000000, -0.0480060300000000 ] - [ -0.0065368200000000, 0.0001092100000000, 0.0005846000000000 ] - [ 0.0032139100000000, 0.0003671500000000, 0.0008738200000000 ] - [ 0.0001188100000000, -0.0002857900000000, -0.0174303800000000 ] - [ -0.0016335400000000, -0.0001199400000000, 0.0001191200000000 ] - [ -0.0011814200000000, 0.0000519700000000, 0.0001071300000000 ] - [ -0.0002032900000000, 0.0004888100000000, 0.0011999000000000 ] - [ -0.0016383800000000, 0.0000949400000000, -0.0003835900000000 ] - [ 0.2379792800000000, -0.0271842900000000, 0.1330079200000000 ] - [ -0.0019123800000000, 0.0004464300000000, -0.0000916600000000 ] - [ -0.0000448800000000, 0.0003194100000000, -0.0022700500000000 ] - [ -0.0018276400000000, -0.0005240800000000, 0.0010290900000000 ] - [ -0.0017032800000000, -0.0002931200000000, -0.0011406800000000 ] - [ -0.0019729100000000, 0.0000627600000000, 0.0005923500000000 ] - [ -0.0007630900000000, 0.0000820600000000, 0.0019207700000000 ] - [ 0.0051823000000000, -0.0013338500000000, -0.0003153000000000 ] - [ -0.0012868400000000, 0.0000900700000000, 0.0029264700000000 ] - [ -0.0024772200000000, -0.0000736500000000, 0.0008022200000000 ] - [ -0.0028349400000000, 0.0000416200000000, -0.0002339500000000 ] - [ 0.0036633200000000, -0.0009157300000000, 0.0013995600000000 ] - [ -0.0012793000000000, -0.0002283900000000, 0.0000685700000000 ] - [ -0.0013685800000000, 0.0001367900000000, -0.0001701200000000 ] - [ 0.0020223500000000, 0.0005775700000000, -0.0008289500000000 ] - [ -0.0018391500000000, -0.0004104100000000, -0.0003285300000000 ] - [ -0.0017219300000000, -0.0003300500000000, -0.0016881300000000 ] - [ -0.0023991800000000, -0.0003648100000000, -0.0016408500000000 ] - [ -0.0359629200000000, 0.0002215100000000, -0.0062760400000000 ] - [ 0.0025583600000000, 0.0000535500000000, -0.0005832100000000 ] - [ 0.0037932200000000, 0.0000095500000000, 0.0004619100000000 ] - [ 0.0024633400000000, -0.0093560200000000, -0.0050159600000000 ] - [ 0.0130778000000000, 0.0020767600000000, 0.0010506600000000 ] - [ -0.0016358800000000, 0.0001540600000000, -0.0001389100000000 ] - [ 0.0005802300000000, -0.0004001500000000, -0.0019379600000000 ] - [ -0.0072505400000000, 0.0000430600000000, 0.0040959900000000 ] - [ -0.0020193700000000, 0.0001018700000000, 0.0009650300000000 ] - [ 0.0002336300000000, 0.0003478200000000, -0.0032208300000000 ] - [ -0.0018444500000000, 0.0001063500000000, -0.0006270800000000 ] - [ 0.0033021500000000, -0.0007560400000000, 0.0009139900000000 ] - [ -0.0025679300000000, -0.0000176900000000, 0.0000177900000000 ] - [ -0.0009151500000000, 0.0002277700000000, 0.0007556400000000 ] - [ -0.0032609000000000, 0.0000125700000000, -0.0012327000000000 ] - [ -0.0133574800000000, 0.0182730600000000, -0.0004121200000000 ] - [ -0.0015444200000000, -0.0000317500000000, 0.0007053400000000 ] - [ -0.0017338400000000, 0.0006526000000000, -0.0001690100000000 ] - [ -0.0020377200000000, -0.0001204200000000, 0.0005464200000000 ] - [ 0.0028471900000000, 0.0002228600000000, -0.0018897700000000 ] - [ -0.0000712700000000, 0.0001224100000000, -0.0006902600000000 ] - [ -0.0017083900000000, -0.0001752400000000, -0.0000186600000000 ] - [ 0.0000361000000000, 0.0009669600000000, 0.0039213200000000 ] - [ -0.0038475100000000, 0.0002055300000000, 0.0007913800000000 ] - [ -0.0023465800000000, -0.0001053000000000, 0.0004149400000000 ] - [ -0.0098916700000000, 0.0051849800000000, -0.0216860800000000 ] - [ -0.0015656000000000, -0.0002267200000000, -0.0003006700000000 ] - [ -0.0014499500000000, -0.0000231000000000, -0.0003893500000000 ] - [ -0.0019290200000000, 0.0001564200000000, 0.0002679800000000 ] - [ -0.0017042100000000, 0.0001661000000000, -0.0001032700000000 ] - [ -0.0020608600000000, -0.0001332900000000, -0.0006035900000000 ] - [ -0.0015667400000000, -0.0001923400000000, -0.0001589600000000 ] - [ -0.0016536000000000, -0.0006208500000000, -0.0002620500000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004272200000000, 0.0001757400000000, 0.0003267800000000 ] - [ 0.0001007300000000, 0.0000497500000000, 0.0001786600000000 ] - [ -0.0003342600000000, -0.0010873000000000, 0.0013948500000000 ] - [ -0.0000787700000000, -0.0000408100000000, 0.0001182600000000 ] - [ -0.0007779300000000, -0.0016751000000000, -0.0007770600000000 ] - [ 0.0002437600000000, -0.0000401600000000, -0.0001457800000000 ] - [ 0.0010976600000000, 0.0017180000000000, 0.0015676800000000 ] - [ -0.0008515200000000, 0.0001561300000000, -0.0001480400000000 ] - [ 0.0001494800000000, 0.0000379700000000, 0.0006460400000000 ] - [ -0.0000079600000000, 0.0000827100000000, -0.0000733100000000 ] - [ -0.0000999600000000, -0.0000077000000000, 0.0000487400000000 ] - [ -0.0014424900000000, -0.0008046800000000, 0.0006137700000000 ] - [ 0.0002398600000000, -0.0000257600000000, 0.0001162100000000 ] - [ -0.0004983200000000, 0.0002840500000000, 0.0002957800000000 ] - [ 0.0001291000000000, 0.0000050400000000, -0.0001893400000000 ] - [ -0.0000949100000000, 0.0001332600000000, 0.0000591100000000 ] - [ 0.0000900900000000, -0.0000130700000000, 0.0000681300000000 ] - [ -0.0002350800000000, -0.0004201100000000, -0.0002591800000000 ] - [ 0.0000923800000000, -0.0000022800000000, -0.0001682800000000 ] - [ 0.0000672900000000, -0.0000030800000000, -0.0000210400000000 ] - [ 0.0000094000000000, -0.0000968200000000, 0.0002272900000000 ] - [ 0.0002886800000000, 0.0002395100000000, 0.0002425000000000 ] - [ -0.0007315400000000, -0.0022485600000000, 0.0004419100000000 ] - [ 0.0001795800000000, 0.0000288900000000, 0.0001068100000000 ] - [ 0.0007263800000000, 0.0003771200000000, -0.0007993500000000 ] - [ -0.0002263200000000, -0.0006978400000000, 0.0001121100000000 ] - [ 0.0308540500000000, 0.0478193200000000, 0.0198071500000000 ] - [ 0.0000981300000000, -0.0000141000000000, 0.0000724900000000 ] - [ 0.0000781200000000, 0.0000597900000000, -0.0001313200000000 ] - [ 0.0001192800000000, -0.0000164300000000, -0.0002165500000000 ] - [ 0.0001714900000000, -0.0000040900000000, -0.0001483900000000 ] - [ 0.0000083300000000, 0.0000253100000000, -0.0002188900000000 ] - [ -0.0000270000000000, 0.0000121100000000, -0.0003116500000000 ] - [ 0.0001846400000000, 0.0000661200000000, -0.0000485000000000 ] - [ 0.0001388300000000, -0.0000513100000000, -0.0000063600000000 ] - [ -0.0001416100000000, -0.0002595700000000, 0.0005976800000000 ] - [ 0.0045438800000000, 0.0053573800000000, -0.0047229200000000 ] - [ -0.0444305600000000, 0.0828056900000000, -0.0566803500000000 ] - [ -0.0001295900000000, -0.0002452600000000, 0.0012344800000000 ] - [ 0.0001626100000000, 0.0000448000000000, -0.0000442200000000 ] - [ -0.0027902900000000, -0.0044936500000000, -0.0060826600000000 ] - [ 0.0000896500000000, -0.0001955700000000, -0.0000773700000000 ] - [ 0.0000482800000000, 0.0001772700000000, 0.0000435000000000 ] - [ -0.0000870500000000, 0.0001024800000000, 0.0005507500000000 ] - [ 0.0001102000000000, 0.0002023300000000, -0.0001644500000000 ] - [ 0.0256792400000000, -0.1638119100000000, 0.0438898800000000 ] - [ -0.0002191400000000, -0.0000428700000000, -0.0001957200000000 ] - [ -0.0001612000000000, -0.0003084200000000, 0.0003756000000000 ] - [ -0.0004132100000000, -0.0000630200000000, 0.0001446600000000 ] - [ 0.0002005000000000, 0.0000648400000000, 0.0001824200000000 ] - [ -0.0001607700000000, -0.0000868200000000, 0.0000973200000000 ] - [ -0.0001652300000000, 0.0000185000000000, 0.0004090500000000 ] - [ -0.0007592000000000, 0.0005641900000000, -0.0013631900000000 ] - [ -0.0025566700000000, 0.0012427300000000, 0.0008021800000000 ] - [ -0.0001697400000000, 0.0000623900000000, 0.0000346900000000 ] - [ -0.0001250300000000, 0.0000641700000000, -0.0000828700000000 ] - [ 0.0004621900000000, -0.0004423100000000, 0.0008851300000000 ] - [ 0.0000313000000000, -0.0001820400000000, -0.0000565000000000 ] - [ -0.0000048500000000, -0.0000403600000000, 0.0001679500000000 ] - [ -0.0000844600000000, 0.0000975400000000, 0.0001351400000000 ] - [ -0.0001506100000000, 0.0000748100000000, -0.0001719500000000 ] - [ 0.0002818600000000, 0.0002006000000000, 0.0003616700000000 ] - [ 0.0003411500000000, -0.0003857800000000, 0.0000030200000000 ] - [ -0.0061359700000000, -0.0047135700000000, 0.0003103600000000 ] - [ 0.0002924500000000, 0.0003260400000000, -0.0008072100000000 ] - [ 0.0001043100000000, -0.0001524400000000, -0.0003848600000000 ] - [ 0.0127791400000000, 0.0229004400000000, 0.0081548700000000 ] - [ -0.0018192000000000, 0.0111991200000000, -0.0149908900000000 ] - [ -0.0002117000000000, 0.0001840200000000, -0.0001172900000000 ] - [ 0.0001162400000000, -0.0002172900000000, -0.0001778100000000 ] - [ 0.0022869400000000, -0.0014674300000000, 0.0000644400000000 ] - [ -0.0000114500000000, 0.0000052200000000, 0.0002673000000000 ] - [ -0.0003072400000000, 0.0001296700000000, -0.0005124700000000 ] - [ -0.0000119000000000, 0.0000811900000000, 0.0000177600000000 ] - [ 0.0004945600000000, -0.0005443000000000, -0.0015240200000000 ] - [ -0.0002596500000000, -0.0000438100000000, 0.0000509300000000 ] - [ 0.0002597300000000, 0.0000283500000000, 0.0001275400000000 ] - [ -0.0000773400000000, 0.0001008000000000, -0.0000442100000000 ] - [ -0.0183716800000000, 0.0129211200000000, -0.0000137100000000 ] - [ -0.0000167700000000, 0.0001006400000000, 0.0002882300000000 ] - [ 0.0000040600000000, 0.0001158500000000, -0.0001915500000000 ] - [ -0.0001477800000000, 0.0000187600000000, 0.0001204100000000 ] - [ 0.0001300800000000, 0.0003056000000000, -0.0005743300000000 ] - [ 0.0000538100000000, 0.0000241700000000, -0.0001514300000000 ] - [ -0.0002012000000000, -0.0001873500000000, -0.0000884100000000 ] - [ 0.0003107700000000, 0.0002336700000000, 0.0014735000000000 ] - [ -0.0021341400000000, -0.0004992200000000, 0.0006829500000000 ] - [ -0.0001917200000000, -0.0000465400000000, 0.0001152800000000 ] - [ 0.0042238600000000, -0.0050538500000000, 0.0048188200000000 ] - [ -0.0000867300000000, -0.0001027200000000, 0.0001306400000000 ] - [ -0.0000494000000000, -0.0000476500000000, 0.0000605600000000 ] - [ -0.0001117700000000, 0.0000565400000000, 0.0000674000000000 ] - [ -0.0002015600000000, 0.0001856900000000, -0.0000141700000000 ] - [ -0.0000430900000000, -0.0000952300000000, -0.0000039300000000 ] - [ -0.0001956200000000, -0.0001896900000000, -0.0000289600000000 ] - [ 0.0000398900000000, -0.0000995300000000, -0.0001799000000000 ]- atom: 46 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002178100000000, -0.0002111600000000, -0.0000904400000000 ] - [ -0.0003162200000000, 0.0000002200000000, 0.0000409900000000 ] - [ 0.0002345500000000, 0.0009155000000000, -0.0015877900000000 ] - [ 0.0001485100000000, 0.0000303600000000, -0.0000885800000000 ] - [ 0.0007056800000000, 0.0016370600000000, 0.0008057100000000 ] - [ -0.0001792400000000, 0.0000528800000000, 0.0001749300000000 ] - [ -0.0010849900000000, -0.0017095400000000, -0.0019330300000000 ] - [ 0.0007821100000000, -0.0001405900000000, 0.0001790700000000 ] - [ -0.0001355200000000, -0.0001914500000000, -0.0002819400000000 ] - [ 0.0000083500000000, 0.0000849300000000, 0.0004560900000000 ] - [ -0.0001140400000000, -0.0000394500000000, 0.0001707400000000 ] - [ 0.0018621900000000, 0.0006258600000000, -0.0006059200000000 ] - [ -0.0000213000000000, -0.0000217200000000, 0.0001040300000000 ] - [ 0.0002853400000000, -0.0002344700000000, -0.0000831200000000 ] - [ -0.0001274400000000, -0.0000048400000000, -0.0001661400000000 ] - [ 0.0001549000000000, -0.0001423200000000, -0.0000334700000000 ] - [ -0.0001537100000000, 0.0000025200000000, -0.0000377500000000 ] - [ 0.0003054100000000, 0.0004277800000000, 0.0002864300000000 ] - [ -0.0000897100000000, 0.0000031000000000, -0.0001884400000000 ] - [ -0.0001284400000000, 0.0000153700000000, 0.0000503000000000 ] - [ -0.0000073100000000, -0.0000706400000000, 0.0001480200000000 ] - [ -0.0002847200000000, -0.0000702600000000, 0.0001396300000000 ] - [ 0.0005251300000000, 0.0021825900000000, -0.0001969600000000 ] - [ 0.0000392700000000, 0.0000193200000000, 0.0001106800000000 ] - [ -0.0007379400000000, -0.0005175800000000, 0.0004792700000000 ] - [ 0.0002766200000000, 0.0007924500000000, -0.0001653900000000 ] - [ -0.0299570300000000, -0.0480749500000000, -0.0192801600000000 ] - [ -0.0001512400000000, -0.0000814400000000, -0.0001324600000000 ] - [ -0.0001348500000000, 0.0000345500000000, 0.0000700600000000 ] - [ -0.0001180600000000, 0.0000170000000000, -0.0001528500000000 ] - [ -0.0001663600000000, 0.0000038600000000, -0.0002136500000000 ] - [ -0.0000032200000000, 0.0001117800000000, -0.0000992900000000 ] - [ 0.0000294600000000, -0.0001439300000000, -0.0000146800000000 ] - [ -0.0001257800000000, 0.0000285000000000, -0.0000118300000000 ] - [ -0.0000805100000000, -0.0000442600000000, -0.0000514000000000 ] - [ 0.0000859600000000, 0.0001640300000000, -0.0006657300000000 ] - [ -0.0045835000000000, -0.0052258500000000, 0.0046447400000000 ] - [ 0.0422068500000000, -0.0815133800000000, 0.0537803200000000 ] - [ 0.0001215400000000, 0.0002467900000000, -0.0016126300000000 ] - [ -0.0001637900000000, 0.0000894100000000, -0.0002777900000000 ] - [ 0.0024647900000000, 0.0048716900000000, 0.0057947700000000 ] - [ 0.0001549400000000, -0.0001305400000000, 0.0000536000000000 ] - [ 0.0001974800000000, 0.0001509700000000, -0.0000685200000000 ] - [ 0.0000901900000000, 0.0000175300000000, -0.0001899800000000 ] - [ 0.0001395000000000, 0.0001435700000000, -0.0000395900000000 ] - [ -0.0240783400000000, 0.1627723100000000, -0.0416798800000000 ] - [ 0.0000126800000000, -0.0001337500000000, -0.0002032000000000 ] - [ -0.0000752100000000, 0.0002877400000000, -0.0002376200000000 ] - [ 0.0006529400000000, 0.0000802200000000, -0.0000011900000000 ] - [ 0.0000346300000000, -0.0000831100000000, -0.0000430800000000 ] - [ -0.0000092000000000, -0.0000656300000000, -0.0000170800000000 ] - [ 0.0001668100000000, 0.0001774700000000, 0.0000048700000000 ] - [ 0.0009792000000000, -0.0003918800000000, 0.0009800500000000 ] - [ 0.0023552900000000, -0.0012400100000000, -0.0006642000000000 ] - [ 0.0000025200000000, 0.0000875800000000, 0.0000454000000000 ] - [ 0.0002391500000000, 0.0000208100000000, 0.0002457700000000 ] - [ -0.0007148800000000, 0.0001030200000000, -0.0010999900000000 ] - [ 0.0002202200000000, -0.0001647500000000, -0.0001485500000000 ] - [ 0.0001254500000000, -0.0000454000000000, -0.0000053800000000 ] - [ -0.0000339400000000, -0.0001814600000000, 0.0000237200000000 ] - [ -0.0000561600000000, 0.0001041900000000, -0.0002271700000000 ] - [ -0.0002847500000000, -0.0003939500000000, 0.0000450900000000 ] - [ -0.0003432100000000, 0.0002633600000000, 0.0003641500000000 ] - [ 0.0058845800000000, 0.0048303600000000, -0.0001862300000000 ] - [ -0.0005364100000000, -0.0000006600000000, 0.0007773300000000 ] - [ 0.0000666500000000, 0.0000019900000000, 0.0004646800000000 ] - [ -0.0127450900000000, -0.0230176500000000, -0.0079893800000000 ] - [ 0.0020157400000000, -0.0113321100000000, 0.0143509400000000 ] - [ -0.0000405200000000, 0.0001624100000000, -0.0000859900000000 ] - [ 0.0001308500000000, -0.0001058300000000, 0.0001609900000000 ] - [ -0.0020319300000000, 0.0017954800000000, -0.0000909600000000 ] - [ 0.0000084600000000, 0.0001147600000000, 0.0000979300000000 ] - [ 0.0005604900000000, 0.0002160100000000, 0.0003109000000000 ] - [ 0.0001781300000000, 0.0000690500000000, 0.0000609800000000 ] - [ -0.0007002800000000, 0.0003746500000000, 0.0011409300000000 ] - [ 0.0000204200000000, 0.0000261600000000, 0.0000895800000000 ] - [ -0.0000275800000000, -0.0000097100000000, 0.0000147400000000 ] - [ 0.0003131000000000, -0.0001184100000000, 0.0001817900000000 ] - [ 0.0178956000000000, -0.0129605000000000, 0.0000907200000000 ] - [ 0.0000139700000000, 0.0000931000000000, 0.0001242600000000 ] - [ 0.0002010200000000, 0.0000624400000000, -0.0002075300000000 ] - [ -0.0000932100000000, -0.0000014100000000, 0.0000227300000000 ] - [ -0.0002981900000000, -0.0001551200000000, 0.0006585100000000 ] - [ 0.0000657900000000, 0.0000624200000000, 0.0003169200000000 ] - [ -0.0000534500000000, -0.0001590500000000, -0.0001145500000000 ] - [ -0.0000680800000000, -0.0005855500000000, -0.0016697200000000 ] - [ 0.0022332400000000, 0.0004157700000000, -0.0005232000000000 ] - [ 0.0000683600000000, -0.0000391400000000, 0.0000482500000000 ] - [ -0.0043902600000000, 0.0052278500000000, -0.0051899500000000 ] - [ 0.0000861900000000, -0.0000907200000000, 0.0002803000000000 ] - [ 0.0000493000000000, -0.0000713600000000, 0.0003087900000000 ] - [ -0.0000112100000000, 0.0000295500000000, 0.0000973900000000 ] - [ -0.0000466400000000, 0.0001409600000000, -0.0000098600000000 ] - [ 0.0002083100000000, -0.0000602100000000, 0.0000811000000000 ] - [ -0.0000518100000000, -0.0001361800000000, 0.0000058700000000 ] - [ 0.0001652100000000, -0.0000773400000000, -0.0002198600000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003630400000000, -0.0019926300000000, -0.0077070300000000 ] - [ -0.0005255400000000, 0.0001454700000000, 0.0005429200000000 ] - [ 0.0066917300000000, 0.0015620600000000, 0.0042197200000000 ] - [ -0.0016303900000000, -0.0001504400000000, 0.0003985800000000 ] - [ -0.0056563500000000, 0.0027935600000000, -0.0001686300000000 ] - [ 0.0000987500000000, -0.0000575000000000, -0.0001937700000000 ] - [ 0.0010703100000000, -0.0001671700000000, -0.0092754800000000 ] - [ 0.0031820400000000, 0.0000829600000000, -0.0015885900000000 ] - [ -0.0010686500000000, -0.0006211100000000, 0.0026748600000000 ] - [ -0.0003959200000000, -0.0000655300000000, -0.0019330400000000 ] - [ -0.0011365800000000, 0.0000040100000000, -0.0003016000000000 ] - [ 0.0055831500000000, 0.0044046600000000, 0.0130381600000000 ] - [ -0.0007136700000000, -0.0000610500000000, 0.0002829800000000 ] - [ 0.0015229200000000, -0.0002977800000000, -0.0020606000000000 ] - [ -0.0006900100000000, -0.0000191600000000, -0.0002221600000000 ] - [ -0.0027185400000000, 0.0001891600000000, -0.0014064400000000 ] - [ -0.0010471900000000, 0.0001067400000000, -0.0002476100000000 ] - [ 0.0008711600000000, 0.0000731400000000, 0.0005653900000000 ] - [ -0.0008677400000000, 0.0000347700000000, -0.0001495900000000 ] - [ -0.0005211200000000, -0.0000219300000000, 0.0000698900000000 ] - [ -0.0005917800000000, -0.0000495900000000, -0.0004638200000000 ] - [ -0.0008794300000000, 0.0001736400000000, 0.0009901000000000 ] - [ -0.0051617800000000, -0.0026286600000000, 0.0039633900000000 ] - [ -0.0004802200000000, -0.0000036000000000, -0.0000273100000000 ] - [ 0.0016639500000000, 0.0004645900000000, -0.0006680100000000 ] - [ 0.0017868600000000, 0.0000146900000000, -0.0064204000000000 ] - [ 0.0377693800000000, 0.0184626000000000, 0.0608579000000000 ] - [ -0.0011459800000000, -0.0000279600000000, 0.0003368600000000 ] - [ -0.0007031200000000, 0.0001276200000000, -0.0002720200000000 ] - [ -0.0009936400000000, -0.0000044700000000, -0.0004614100000000 ] - [ -0.0010040200000000, -0.0000826400000000, 0.0000565100000000 ] - [ -0.0026674800000000, -0.0004588800000000, -0.0007269800000000 ] - [ -0.0001240500000000, -0.0001196900000000, -0.0000008200000000 ] - [ -0.0008042000000000, -0.0000106300000000, 0.0000776500000000 ] - [ -0.0008446600000000, -0.0000494500000000, -0.0002327800000000 ] - [ 0.0002999700000000, -0.0006296000000000, -0.0046856300000000 ] - [ 0.0003084700000000, -0.0014409300000000, 0.0050054000000000 ] - [ 0.0459171900000000, -0.0491669100000000, 0.0910866000000000 ] - [ 0.0033510100000000, -0.0003085000000000, -0.0070881900000000 ] - [ -0.0017884200000000, -0.0000417300000000, -0.0005992400000000 ] - [ 0.0225224200000000, -0.0001485200000000, 0.0298303900000000 ] - [ 0.0007921200000000, -0.0001910700000000, -0.0002888500000000 ] - [ 0.0004180900000000, 0.0001355700000000, 0.0001905000000000 ] - [ -0.0006767300000000, -0.0002497400000000, 0.0010973000000000 ] - [ 0.0008491400000000, 0.0002545100000000, -0.0001879500000000 ] - [ -0.1332177300000000, 0.0409598600000000, -0.1964637700000000 ] - [ 0.0003627700000000, -0.0002167700000000, -0.0003403400000000 ] - [ 0.0017139600000000, 0.0003399500000000, 0.0017776600000000 ] - [ -0.0004956300000000, 0.0002835700000000, -0.0004307700000000 ] - [ 0.0015691100000000, 0.0003198700000000, 0.0007183400000000 ] - [ 0.0004471700000000, -0.0000999600000000, 0.0000268500000000 ] - [ -0.0006478800000000, -0.0000621400000000, -0.0002030900000000 ] - [ -0.0017685000000000, 0.0005561800000000, 0.0041521700000000 ] - [ -0.0040723800000000, 0.0007619000000000, -0.0002175700000000 ] - [ 0.0006581300000000, 0.0000391000000000, -0.0003652300000000 ] - [ 0.0008743600000000, 0.0000356200000000, -0.0002891400000000 ] - [ -0.0032954900000000, 0.0005486000000000, 0.0046657100000000 ] - [ 0.0003881400000000, -0.0000998200000000, 0.0000076100000000 ] - [ 0.0006282000000000, -0.0000927100000000, 0.0006216400000000 ] - [ -0.0014626900000000, -0.0007419100000000, 0.0035668700000000 ] - [ 0.0005400000000000, 0.0002914900000000, -0.0000965900000000 ] - [ 0.0020348100000000, 0.0000299900000000, 0.0008172900000000 ] - [ 0.0019221500000000, -0.0005474800000000, -0.0001860700000000 ] - [ 0.0051447000000000, 0.0004260300000000, -0.0098588100000000 ] - [ -0.0015557900000000, 0.0005123400000000, 0.0039078600000000 ] - [ -0.0003135300000000, 0.0003804300000000, 0.0039461300000000 ] - [ 0.0058456300000000, 0.0073850500000000, -0.0059774500000000 ] - [ 0.0014787400000000, -0.0176032700000000, 0.0112230500000000 ] - [ 0.0004287800000000, 0.0001426000000000, -0.0000418100000000 ] - [ 0.0004769200000000, 0.0001828300000000, 0.0028762500000000 ] - [ -0.0022769300000000, 0.0005004800000000, -0.0033012300000000 ] - [ 0.0001046200000000, 0.0001996500000000, -0.0000884200000000 ] - [ 0.0020015900000000, -0.0006827000000000, 0.0028808300000000 ] - [ 0.0007734100000000, 0.0000216800000000, 0.0003635900000000 ] - [ -0.0028892200000000, 0.0004756100000000, 0.0030882400000000 ] - [ 0.0010601400000000, -0.0001087400000000, -0.0001292300000000 ] - [ -0.0001340300000000, -0.0000777200000000, 0.0003257300000000 ] - [ 0.0023418800000000, 0.0001003900000000, -0.0000005300000000 ] - [ -0.0004727600000000, -0.0000472400000000, -0.0100716600000000 ] - [ 0.0000826300000000, 0.0001146000000000, 0.0002603900000000 ] - [ 0.0006850100000000, -0.0000847700000000, -0.0003008600000000 ] - [ 0.0002100800000000, -0.0000513200000000, 0.0000871800000000 ] - [ -0.0020379400000000, -0.0005707500000000, 0.0037907000000000 ] - [ 0.0005451800000000, 0.0003095500000000, 0.0017975900000000 ] - [ 0.0003273300000000, -0.0002002500000000, -0.0001726700000000 ] - [ -0.0020190400000000, -0.0010154900000000, -0.0016232400000000 ] - [ 0.0004550500000000, 0.0005661200000000, -0.0018471000000000 ] - [ 0.0005813400000000, -0.0000095800000000, -0.0001812800000000 ] - [ 0.0183051300000000, -0.0032827700000000, 0.0122041400000000 ] - [ 0.0009109100000000, -0.0000351000000000, 0.0002113800000000 ] - [ 0.0008781300000000, 0.0000603300000000, 0.0006899200000000 ] - [ 0.0005223600000000, 0.0000163100000000, 0.0002014000000000 ] - [ 0.0003248000000000, 0.0001458100000000, -0.0000700300000000 ] - [ 0.0007486900000000, -0.0000015600000000, 0.0001321300000000 ] - [ 0.0003979900000000, -0.0001150900000000, 0.0001420600000000 ] - [ 0.0006652100000000, 0.0000782600000000, -0.0001329400000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001281100000000, 0.0019106000000000, 0.0079365300000000 ] - [ 0.0002825800000000, -0.0000749400000000, -0.0003081200000000 ] - [ -0.0067997900000000, -0.0017624000000000, -0.0043361300000000 ] - [ 0.0016962400000000, 0.0001354800000000, -0.0003585800000000 ] - [ 0.0055926800000000, -0.0027994500000000, 0.0002457500000000 ] - [ -0.0000403000000000, 0.0000717100000000, 0.0002284300000000 ] - [ -0.0010668700000000, 0.0001632900000000, 0.0089242200000000 ] - [ -0.0032596600000000, -0.0000730200000000, 0.0016196300000000 ] - [ 0.0010920400000000, 0.0004618600000000, -0.0023192100000000 ] - [ 0.0003847100000000, 0.0002380900000000, 0.0023028600000000 ] - [ 0.0008924000000000, -0.0000772000000000, 0.0005314100000000 ] - [ -0.0052317000000000, -0.0044975900000000, -0.0129171100000000 ] - [ 0.0009626400000000, -0.0000096200000000, -0.0000484600000000 ] - [ -0.0017578100000000, 0.0003684700000000, 0.0022969600000000 ] - [ 0.0006894900000000, 0.0000206800000000, -0.0001365900000000 ] - [ 0.0027888500000000, -0.0002044800000000, 0.0014453000000000 ] - [ 0.0009911200000000, -0.0001237500000000, 0.0002847100000000 ] - [ -0.0008146300000000, -0.0000599500000000, -0.0005185400000000 ] - [ 0.0008684100000000, -0.0000352400000000, -0.0002126300000000 ] - [ 0.0004633700000000, 0.0000366900000000, -0.0000347300000000 ] - [ 0.0005981900000000, -0.0001213500000000, 0.0008346800000000 ] - [ 0.0008777300000000, -0.0000045700000000, -0.0006218100000000 ] - [ 0.0049213100000000, 0.0025794700000000, -0.0037637300000000 ] - [ 0.0007232100000000, 0.0000717100000000, 0.0002575100000000 ] - [ -0.0016628600000000, -0.0006624100000000, 0.0003605100000000 ] - [ -0.0017122500000000, 0.0000798500000000, 0.0063850000000000 ] - [ -0.0355258500000000, -0.0175332000000000, -0.0600547700000000 ] - [ 0.0010703800000000, -0.0000596100000000, -0.0003755700000000 ] - [ 0.0006198700000000, -0.0000331400000000, 0.0002321300000000 ] - [ 0.0009939700000000, 0.0000039300000000, 0.0000334600000000 ] - [ 0.0010054000000000, 0.0000843700000000, -0.0004807600000000 ] - [ 0.0026612200000000, 0.0006623200000000, 0.0004407600000000 ] - [ 0.0001285900000000, -0.0000808800000000, -0.0002967700000000 ] - [ 0.0008884800000000, 0.0001011700000000, -0.0001192400000000 ] - [ 0.0009271700000000, -0.0000367800000000, 0.0001921100000000 ] - [ -0.0003712300000000, 0.0005357700000000, 0.0046488000000000 ] - [ -0.0004304300000000, 0.0015107000000000, -0.0049915800000000 ] - [ -0.0487033000000000, 0.0520976200000000, -0.0937061700000000 ] - [ -0.0033473300000000, 0.0003103700000000, 0.0066617400000000 ] - [ 0.0017901900000000, 0.0002412800000000, 0.0002972800000000 ] - [ -0.0223438600000000, 0.0004502200000000, -0.0295021100000000 ] - [ -0.0005667100000000, -0.0000794800000000, 0.0002845200000000 ] - [ -0.0001902500000000, 0.0001339900000000, -0.0001936300000000 ] - [ 0.0006814800000000, 0.0003809800000000, -0.0006019500000000 ] - [ -0.0006321400000000, 0.0000770200000000, -0.0000124700000000 ] - [ 0.1340192400000000, -0.0446367500000000, 0.1976547600000000 ] - [ -0.0005668400000000, 0.0000260100000000, -0.0000966300000000 ] - [ -0.0019197700000000, -0.0003385800000000, -0.0017176200000000 ] - [ 0.0007113700000000, -0.0002779500000000, 0.0005029900000000 ] - [ -0.0013512400000000, -0.0003281800000000, -0.0006547400000000 ] - [ -0.0006767900000000, 0.0000317400000000, 0.0000561000000000 ] - [ 0.0006501900000000, 0.0002740500000000, 0.0006040600000000 ] - [ 0.0019782700000000, -0.0003709700000000, -0.0045862000000000 ] - [ 0.0038595500000000, -0.0007566300000000, 0.0002960100000000 ] - [ -0.0008909300000000, 0.0000346600000000, 0.0004463800000000 ] - [ -0.0006964400000000, 0.0000470500000000, 0.0004706800000000 ] - [ 0.0030917400000000, -0.0008827800000000, -0.0048777300000000 ] - [ -0.0001707200000000, -0.0002327800000000, -0.0002110600000000 ] - [ -0.0004387000000000, 0.0000097300000000, -0.0004340300000000 ] - [ 0.0012875900000000, 0.0006568800000000, -0.0033847900000000 ] - [ -0.0007445200000000, -0.0001015400000000, -0.0003360400000000 ] - [ -0.0020326900000000, -0.0002504000000000, -0.0004343700000000 ] - [ -0.0019285300000000, 0.0004159300000000, 0.0006659100000000 ] - [ -0.0054851000000000, -0.0003268800000000, 0.0099640400000000 ] - [ 0.0013320300000000, -0.0002430400000000, -0.0039115200000000 ] - [ 0.0005443900000000, -0.0004504100000000, -0.0038641300000000 ] - [ -0.0060921400000000, -0.0076972300000000, 0.0058638000000000 ] - [ -0.0012838300000000, 0.0177136600000000, -0.0117953800000000 ] - [ -0.0006501900000000, 0.0001902700000000, -0.0001631600000000 ] - [ -0.0002528000000000, -0.0004533200000000, -0.0028840100000000 ] - [ 0.0025305600000000, -0.0002318900000000, 0.0032777300000000 ] - [ -0.0001037300000000, -0.0000703700000000, 0.0005807500000000 ] - [ -0.0017881900000000, 0.0010166100000000, -0.0030813000000000 ] - [ -0.0005438700000000, 0.0000493200000000, -0.0002800800000000 ] - [ 0.0026749700000000, -0.0006611000000000, -0.0035209700000000 ] - [ -0.0012828300000000, 0.0001023200000000, 0.0001978000000000 ] - [ 0.0003476500000000, 0.0000832200000000, -0.0002602300000000 ] - [ -0.0021270000000000, -0.0001079200000000, 0.0000740800000000 ] - [ 0.0003891100000000, -0.0001391800000000, 0.0101729200000000 ] - [ -0.0000818100000000, 0.0001019700000000, 0.0001317900000000 ] - [ -0.0004826500000000, 0.0002768600000000, -0.0001363400000000 ] - [ -0.0004290300000000, 0.0000578300000000, -0.0000185200000000 ] - [ 0.0018036200000000, 0.0006433900000000, -0.0037074100000000 ] - [ -0.0003649200000000, -0.0002256600000000, -0.0016132600000000 ] - [ -0.0005472200000000, -0.0001316200000000, -0.0000279500000000 ] - [ 0.0022300400000000, 0.0006779000000000, 0.0014022300000000 ] - [ -0.0002510700000000, -0.0006496700000000, 0.0020281300000000 ] - [ -0.0007678700000000, -0.0000727100000000, 0.0003646200000000 ] - [ -0.0188318800000000, 0.0034994800000000, -0.0128293200000000 ] - [ -0.0009148900000000, -0.0001800800000000, 0.0001818300000000 ] - [ -0.0008833900000000, -0.0001884300000000, -0.0002004600000000 ] - [ -0.0007129300000000, 0.0000690600000000, -0.0000138800000000 ] - [ -0.0005538800000000, 0.0001249900000000, 0.0000651500000000 ] - [ -0.0005200800000000, -0.0000673500000000, -0.0000515800000000 ] - [ -0.0006269600000000, -0.0001599300000000, -0.0001458300000000 ] - [ -0.0004615500000000, -0.0002681700000000, -0.0002968600000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015190800000000, 0.0000498000000000, -0.0000364500000000 ] - [ 0.0227143900000000, -0.0189256700000000, -0.0060954300000000 ] - [ -0.0020528800000000, -0.0000681200000000, -0.0001374300000000 ] - [ 0.0001514400000000, -0.0000783900000000, 0.0022778700000000 ] - [ -0.0016437200000000, 0.0001243100000000, 0.0001995200000000 ] - [ -0.0048241200000000, -0.0022136500000000, -0.0067596100000000 ] - [ -0.0021863300000000, 0.0000759000000000, -0.0002230600000000 ] - [ -0.0025145000000000, -0.0002896200000000, -0.0008093600000000 ] - [ -0.0032401200000000, -0.0004624100000000, 0.0017788300000000 ] - [ -0.0007316700000000, 0.0002286100000000, -0.0005799300000000 ] - [ 0.0025995900000000, 0.0000100800000000, -0.0005199300000000 ] - [ -0.0022161700000000, 0.0000851000000000, 0.0003246900000000 ] - [ -0.0060826400000000, -0.0006256300000000, -0.0020534600000000 ] - [ -0.0019291700000000, 0.0000735600000000, 0.0001333600000000 ] - [ 0.0165204500000000, -0.0029728700000000, 0.0014490500000000 ] - [ -0.0021862000000000, -0.0002288700000000, 0.0004677400000000 ] - [ -0.0028988600000000, 0.0004047300000000, 0.0014256200000000 ] - [ -0.0018993400000000, 0.0001722100000000, 0.0001116600000000 ] - [ 0.0069206300000000, -0.0010817900000000, -0.0019511900000000 ] - [ -0.0012715900000000, -0.0004501600000000, -0.0014031600000000 ] - [ -0.0015847200000000, -0.0000859400000000, 0.0004736900000000 ] - [ -0.0025483500000000, 0.0001098300000000, -0.0001898800000000 ] - [ -0.0022111800000000, -0.0000374700000000, 0.0000472100000000 ] - [ 0.0014307500000000, 0.0004805000000000, 0.0004559500000000 ] - [ -0.0050267600000000, 0.0007501500000000, -0.0029243000000000 ] - [ -0.0022423000000000, 0.0000630100000000, -0.0005286000000000 ] - [ -0.0023876100000000, 0.0000834300000000, 0.0001469900000000 ] - [ 0.0070391600000000, -0.0030894000000000, 0.0050936100000000 ] - [ 0.0038792700000000, 0.0013272600000000, -0.0062180400000000 ] - [ 0.0064840700000000, -0.0005988400000000, 0.0002987900000000 ] - [ 0.1378037600000000, -0.0903129300000000, 0.0833876100000000 ] - [ -0.0007334100000000, 0.0001657400000000, 0.0008852000000000 ] - [ -0.0016742000000000, 0.0000658500000000, -0.0007140800000000 ] - [ -0.0055223800000000, 0.0027329800000000, -0.0052840300000000 ] - [ 0.0014632300000000, -0.0005596100000000, 0.0060667500000000 ] - [ -0.0023438300000000, -0.0000862400000000, 0.0002127000000000 ] - [ -0.0024372700000000, 0.0001374800000000, 0.0000311900000000 ] - [ -0.0028144100000000, 0.0000592500000000, -0.0001133700000000 ] - [ -0.0026367300000000, -0.0001362100000000, -0.0002376700000000 ] - [ -0.0031704300000000, 0.0002368000000000, 0.0005395900000000 ] - [ 0.0011091400000000, 0.0001926900000000, -0.0002992400000000 ] - [ -0.0024176200000000, -0.0000558100000000, -0.0066700900000000 ] - [ -0.0025226500000000, 0.0000217400000000, 0.0049937100000000 ] - [ 0.0016599400000000, -0.0000108200000000, 0.0020131100000000 ] - [ -0.0027660100000000, 0.0010689000000000, -0.0015002300000000 ] - [ 0.0019140200000000, -0.0000480700000000, 0.0005113700000000 ] - [ -0.1844194600000000, 0.1444877300000000, -0.0910553700000000 ] - [ 0.0009431700000000, 0.0000103300000000, -0.0002139800000000 ] - [ 0.0080254600000000, -0.0013186200000000, 0.0016481700000000 ] - [ -0.0001320500000000, 0.0002642700000000, -0.0002907000000000 ] - [ -0.0051803200000000, -0.0009369000000000, 0.0019226400000000 ] - [ 0.0020520900000000, -0.0003797500000000, 0.0009776200000000 ] - [ 0.0015297600000000, -0.0003175200000000, -0.0001875700000000 ] - [ 0.0032407900000000, 0.0001857100000000, 0.0000145300000000 ] - [ -0.0130581800000000, 0.0020385200000000, -0.0013990900000000 ] - [ 0.0000306700000000, -0.0017491900000000, -0.0053088000000000 ] - [ 0.0013428400000000, -0.0001391400000000, 0.0000891400000000 ] - [ -0.0031597100000000, 0.0010613500000000, 0.0073938200000000 ] - [ -0.0007893600000000, 0.0002632800000000, 0.0018804400000000 ] - [ 0.0014020900000000, 0.0000846300000000, 0.0002764700000000 ] - [ -0.0035987200000000, -0.0008472800000000, -0.0002458200000000 ] - [ 0.0005852800000000, -0.0001478500000000, -0.0001491200000000 ] - [ 0.0009114200000000, -0.0002310700000000, -0.0009204100000000 ] - [ 0.0018764400000000, -0.0000104500000000, -0.0005273800000000 ] - [ 0.0012353300000000, 0.0000502200000000, 0.0003052800000000 ] - [ 0.0018402900000000, -0.0000206500000000, 0.0006896700000000 ] - [ 0.0011380200000000, -0.0001221800000000, -0.0000934100000000 ] - [ 0.0017760100000000, 0.0004232400000000, -0.0002341200000000 ] - [ 0.0034173400000000, 0.0010113200000000, -0.0056419500000000 ] - [ 0.0014400900000000, -0.0002013500000000, -0.0001723200000000 ] - [ 0.0014163900000000, 0.0001788900000000, -0.0000667000000000 ] - [ 0.0013044300000000, -0.0000102100000000, 0.0007198200000000 ] - [ 0.0015149000000000, 0.0001651200000000, -0.0001338200000000 ] - [ -0.0032985000000000, 0.0006656600000000, -0.0027327300000000 ] - [ 0.0013636400000000, -0.0005245800000000, -0.0002117500000000 ] - [ 0.0031514800000000, 0.0001625600000000, -0.0006046800000000 ] - [ 0.0016435500000000, -0.0000324100000000, 0.0003104800000000 ] - [ 0.0023958400000000, 0.0000557500000000, 0.0001971800000000 ] - [ 0.0017301400000000, -0.0001678200000000, -0.0005354700000000 ] - [ 0.0011234800000000, 0.0000327000000000, 0.0003858200000000 ] - [ 0.0134365200000000, -0.0246648300000000, 0.0039237600000000 ] - [ 0.0006560600000000, 0.0001358600000000, 0.0001912900000000 ] - [ 0.0016490300000000, 0.0001317800000000, -0.0005134400000000 ] - [ 0.0017270400000000, 0.0001307900000000, 0.0001715400000000 ] - [ 0.0002402300000000, 0.0006191700000000, 0.0036762700000000 ] - [ 0.0014201300000000, -0.0001584100000000, -0.0000234600000000 ] - [ 0.0019360100000000, -0.0001005100000000, 0.0004323700000000 ] - [ 0.0026088900000000, -0.0005131600000000, 0.0015880800000000 ] - [ 0.0015132500000000, 0.0005885400000000, -0.0002208600000000 ] - [ 0.0016392100000000, -0.0001918500000000, -0.0000434800000000 ] - [ 0.0015533300000000, -0.0001054600000000, -0.0003639100000000 ] - [ 0.0006711300000000, 0.0000010500000000, -0.0019138200000000 ] - [ 0.0001362800000000, -0.0009947100000000, 0.0025790900000000 ] - [ 0.0098793200000000, -0.0043831900000000, 0.0187247400000000 ] - [ -0.0005157000000000, -0.0000867200000000, -0.0022577700000000 ] - [ -0.0027989400000000, -0.0006940000000000, -0.0001135300000000 ]- atom: 47 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017488900000000, -0.0001111600000000, 0.0002623700000000 ] - [ -0.0233652200000000, 0.0197468500000000, 0.0066130500000000 ] - [ 0.0020555400000000, 0.0000681400000000, -0.0002231800000000 ] - [ -0.0000984400000000, 0.0000641600000000, -0.0022493500000000 ] - [ 0.0015754600000000, -0.0001390100000000, -0.0001701600000000 ] - [ 0.0048917500000000, 0.0022456200000000, 0.0068356800000000 ] - [ 0.0021914000000000, -0.0000765800000000, -0.0001369600000000 ] - [ 0.0024509700000000, 0.0003060100000000, 0.0008456600000000 ] - [ 0.0032484400000000, 0.0002988000000000, -0.0014192000000000 ] - [ 0.0007239300000000, -0.0000624100000000, 0.0009547300000000 ] - [ -0.0028374600000000, -0.0000702500000000, 0.0007462400000000 ] - [ 0.0024515500000000, -0.0000245200000000, -0.0001011200000000 ] - [ 0.0063100800000000, 0.0005477800000000, 0.0022735100000000 ] - [ 0.0017008800000000, -0.0000142800000000, 0.0000899300000000 ] - [ -0.0164944100000000, 0.0028890800000000, -0.0019878600000000 ] - [ 0.0022544200000000, 0.0002150300000000, -0.0004346800000000 ] - [ 0.0028326800000000, -0.0004184300000000, -0.0013916100000000 ] - [ 0.0019691500000000, -0.0001578400000000, -0.0000789900000000 ] - [ -0.0069055700000000, 0.0010679700000000, 0.0016120900000000 ] - [ 0.0012064200000000, 0.0004641300000000, 0.0014342400000000 ] - [ 0.0015889400000000, -0.0000817500000000, -0.0001029200000000 ] - [ 0.0025489100000000, 0.0000581500000000, 0.0005615800000000 ] - [ 0.0019838900000000, -0.0000217200000000, 0.0001774600000000 ] - [ -0.0011979600000000, -0.0004208200000000, -0.0002340600000000 ] - [ 0.0050468700000000, -0.0009340000000000, 0.0026307700000000 ] - [ 0.0023101000000000, 0.0000296000000000, 0.0004793600000000 ] - [ 0.0024543100000000, -0.0001748400000000, -0.0001969700000000 ] - [ -0.0072074000000000, 0.0030158100000000, -0.0051339100000000 ] - [ -0.0039544000000000, -0.0012313500000000, 0.0061651900000000 ] - [ -0.0064853800000000, 0.0005987800000000, -0.0006969900000000 ] - [ -0.1357549400000000, 0.0865018900000000, -0.0798968900000000 ] - [ 0.0007286800000000, 0.0000165800000000, -0.0012027200000000 ] - [ 0.0016768900000000, -0.0002472000000000, 0.0004021700000000 ] - [ 0.0055863700000000, -0.0026355600000000, 0.0052428600000000 ] - [ -0.0013908300000000, 0.0004677100000000, -0.0061099600000000 ] - [ 0.0022827700000000, -0.0000096800000000, -0.0002640800000000 ] - [ 0.0023768200000000, -0.0000473800000000, -0.0000806200000000 ] - [ 0.0028194600000000, -0.0000594500000000, -0.0002789000000000 ] - [ 0.0026405000000000, 0.0001360900000000, -0.0001545600000000 ] - [ 0.0031694100000000, -0.0000570700000000, -0.0008512100000000 ] - [ -0.0013357800000000, 0.0001331300000000, 0.0000998600000000 ] - [ 0.0026904600000000, -0.0002143900000000, 0.0066727800000000 ] - [ 0.0027661900000000, 0.0002525800000000, -0.0050158800000000 ] - [ -0.0016621300000000, 0.0001366800000000, -0.0015550800000000 ] - [ 0.0030123700000000, -0.0007426000000000, 0.0012895000000000 ] - [ -0.0017001400000000, 0.0001472200000000, -0.0004313400000000 ] - [ 0.1824117500000000, -0.1413242200000000, 0.0864699800000000 ] - [ -0.0011603400000000, -0.0000132300000000, 0.0002981900000000 ] - [ -0.0078679200000000, 0.0013468700000000, -0.0015733100000000 ] - [ 0.0003639100000000, -0.0002677100000000, 0.0003737100000000 ] - [ 0.0049686000000000, 0.0008436900000000, -0.0018401400000000 ] - [ -0.0020578200000000, 0.0005810500000000, -0.0005894300000000 ] - [ -0.0013272200000000, 0.0005067600000000, -0.0002385100000000 ] - [ -0.0034774900000000, -0.0001849600000000, 0.0000676700000000 ] - [ 0.0128502300000000, -0.0018347000000000, 0.0013440200000000 ] - [ 0.0001488500000000, 0.0018398700000000, 0.0055271300000000 ] - [ -0.0015701300000000, -0.0001865900000000, -0.0002880700000000 ] - [ 0.0034220900000000, -0.0013676900000000, -0.0076027800000000 ] - [ 0.0009697000000000, -0.0003464500000000, -0.0016975400000000 ] - [ -0.0015715200000000, -0.0001661300000000, -0.0000969500000000 ] - [ 0.0033941300000000, 0.0010381200000000, -0.0001841800000000 ] - [ -0.0005796700000000, -0.0000531900000000, 0.0005433000000000 ] - [ -0.0009070100000000, 0.0001090100000000, 0.0013940200000000 ] - [ -0.0020485500000000, 0.0000902400000000, 0.0007101200000000 ] - [ -0.0014685200000000, 0.0002231100000000, -0.0003151900000000 ] - [ -0.0016271800000000, -0.0000771500000000, -0.0006089300000000 ] - [ -0.0013703000000000, -0.0001536200000000, 0.0000841300000000 ] - [ -0.0015757100000000, -0.0006162300000000, -0.0001913600000000 ] - [ -0.0036271400000000, -0.0006804900000000, 0.0054158600000000 ] - [ -0.0012113700000000, -0.0000749900000000, 0.0001612100000000 ] - [ -0.0011876800000000, 0.0000962000000000, 0.0000560400000000 ] - [ -0.0013060300000000, 0.0001346100000000, -0.0002499300000000 ] - [ -0.0012921800000000, 0.0001612900000000, -0.0000670900000000 ] - [ 0.0035109400000000, -0.0005687400000000, 0.0028171100000000 ] - [ -0.0015722300000000, 0.0003347400000000, -0.0002135700000000 ] - [ -0.0033754600000000, -0.0001658300000000, 0.0006879100000000 ] - [ -0.0014220800000000, 0.0000351900000000, -0.0002257000000000 ] - [ -0.0021746400000000, -0.0000585800000000, -0.0001141100000000 ] - [ -0.0019507200000000, 0.0000672000000000, 0.0006169900000000 ] - [ -0.0011234900000000, 0.0001682700000000, 0.0000091200000000 ] - [ -0.0131100300000000, 0.0244668400000000, -0.0043351000000000 ] - [ -0.0008799500000000, -0.0001322100000000, -0.0001062200000000 ] - [ -0.0018708800000000, -0.0000310900000000, 0.0005960100000000 ] - [ -0.0015590500000000, -0.0000499100000000, 0.0000096000000000 ] - [ -0.0004628900000000, -0.0009423600000000, -0.0038646000000000 ] - [ -0.0011975200000000, -0.0001679100000000, -0.0001766700000000 ] - [ -0.0017674200000000, 0.0000202200000000, -0.0002520900000000 ] - [ -0.0027812600000000, 0.0004323500000000, -0.0014064500000000 ] - [ -0.0017214200000000, -0.0003994500000000, -0.0002059200000000 ] - [ -0.0016399700000000, -0.0000081600000000, 0.0004356200000000 ] - [ -0.0015551900000000, -0.0000185800000000, 0.0008296200000000 ] - [ -0.0008432200000000, 0.0000810700000000, 0.0020923700000000 ] - [ -0.0003729900000000, 0.0012662000000000, -0.0025901600000000 ] - [ -0.0096065200000000, 0.0042717500000000, -0.0184315000000000 ] - [ 0.0002751800000000, -0.0001834600000000, 0.0022485200000000 ] - [ 0.0030008700000000, 0.0005034400000000, -0.0003125900000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005633200000000, -0.0000605800000000, 0.0001765900000000 ] - [ -0.0215436200000000, 0.0215696500000000, 0.0089370900000000 ] - [ 0.0006076500000000, 0.0000198200000000, -0.0002002100000000 ] - [ -0.0003301000000000, -0.0002878700000000, -0.0010940000000000 ] - [ 0.0003878100000000, -0.0000541000000000, -0.0001090200000000 ] - [ -0.0011031400000000, 0.0011680600000000, 0.0007727200000000 ] - [ 0.0006653900000000, -0.0000230800000000, -0.0001560100000000 ] - [ 0.0007568500000000, 0.0001224500000000, 0.0003501600000000 ] - [ 0.0010278300000000, 0.0001604600000000, -0.0004835600000000 ] - [ 0.0000033800000000, -0.0000161100000000, 0.0005019600000000 ] - [ -0.0010625900000000, 0.0001430900000000, 0.0004756300000000 ] - [ 0.0008742600000000, 0.0000005400000000, 0.0000276700000000 ] - [ -0.0011437100000000, -0.0036848000000000, 0.0009101800000000 ] - [ 0.0004114500000000, 0.0000191700000000, 0.0000999500000000 ] - [ -0.0053345600000000, 0.0082359600000000, 0.0003085900000000 ] - [ 0.0007126200000000, 0.0000709600000000, -0.0001387100000000 ] - [ 0.0011629100000000, 0.0005980900000000, -0.0008782800000000 ] - [ 0.0005880800000000, -0.0000469100000000, -0.0000006800000000 ] - [ -0.0010349100000000, -0.0016275500000000, 0.0001377200000000 ] - [ 0.0002990400000000, -0.0000365700000000, 0.0004377000000000 ] - [ 0.0004381100000000, -0.0001276400000000, 0.0000718900000000 ] - [ 0.0008040800000000, 0.0001630700000000, 0.0004092900000000 ] - [ 0.0005299100000000, -0.0000381200000000, 0.0001437600000000 ] - [ 0.0000041800000000, 0.0001085100000000, -0.0001866800000000 ] - [ 0.0022623100000000, -0.0008150900000000, 0.0012485400000000 ] - [ 0.0007045200000000, 0.0000294600000000, 0.0001786500000000 ] - [ 0.0007767300000000, -0.0000942300000000, -0.0001196000000000 ] - [ -0.0093580300000000, 0.0045920700000000, 0.0028481100000000 ] - [ -0.0002805900000000, -0.0004041900000000, 0.0024157300000000 ] - [ -0.0016079100000000, -0.0000084600000000, -0.0002465400000000 ] - [ -0.0903977700000000, 0.1180403800000000, -0.0803166200000000 ] - [ -0.0000012700000000, 0.0001414300000000, -0.0006516200000000 ] - [ 0.0004850700000000, -0.0000997600000000, 0.0000087800000000 ] - [ -0.0008717400000000, 0.0010252400000000, 0.0007789500000000 ] - [ -0.0001811900000000, -0.0011626100000000, -0.0001959700000000 ] - [ 0.0006497500000000, -0.0000423500000000, -0.0001015600000000 ] - [ 0.0006817900000000, 0.0000200300000000, -0.0000319000000000 ] - [ 0.0008588100000000, -0.0000116800000000, -0.0002395400000000 ] - [ 0.0007793200000000, 0.0000431400000000, -0.0001929300000000 ] - [ 0.0010884700000000, -0.0000503000000000, -0.0005579200000000 ] - [ -0.0004571400000000, 0.0001481500000000, -0.0000125100000000 ] - [ 0.0007499900000000, -0.0027314500000000, 0.0032508700000000 ] - [ 0.0005177800000000, 0.0000513300000000, -0.0016926000000000 ] - [ -0.0005193100000000, 0.0000566000000000, -0.0006728700000000 ] - [ 0.0025675400000000, -0.0004752700000000, -0.0011766200000000 ] - [ -0.0004283800000000, 0.0000675800000000, -0.0000902900000000 ] - [ 0.1413198600000000, -0.1810468300000000, 0.0815959100000000 ] - [ -0.0003244100000000, -0.0000135500000000, 0.0001298500000000 ] - [ -0.0036320700000000, -0.0016565800000000, -0.0014557300000000 ] - [ 0.0004055500000000, -0.0001212900000000, 0.0001729100000000 ] - [ 0.0013206200000000, 0.0004595700000000, -0.0004357900000000 ] - [ -0.0006264900000000, 0.0003522800000000, -0.0002089300000000 ] - [ -0.0003180300000000, 0.0002191100000000, -0.0002226600000000 ] - [ -0.0013709200000000, -0.0000256400000000, 0.0000137200000000 ] - [ 0.0021374200000000, 0.0112737500000000, -0.0175176900000000 ] - [ 0.0012903800000000, 0.0031650200000000, 0.0034170600000000 ] - [ -0.0005534200000000, -0.0001686500000000, -0.0001869900000000 ] - [ 0.0018364600000000, 0.0097537700000000, -0.0006061000000000 ] - [ 0.0006096700000000, -0.0003061100000000, -0.0002465200000000 ] - [ -0.0004977300000000, -0.0000849400000000, -0.0000155400000000 ] - [ 0.0008505300000000, 0.0003983400000000, -0.0003406300000000 ] - [ -0.0000298700000000, -0.0001068000000000, 0.0003485800000000 ] - [ -0.0002518000000000, 0.0000315100000000, 0.0008046400000000 ] - [ -0.0007194600000000, 0.0000483800000000, 0.0003371800000000 ] - [ -0.0005201300000000, 0.0001553700000000, -0.0001200600000000 ] - [ -0.0003928300000000, -0.0000378500000000, -0.0001673300000000 ] - [ -0.0004820600000000, -0.0001271200000000, 0.0000548900000000 ] - [ -0.0004260400000000, -0.0002679900000000, -0.0002091500000000 ] - [ 0.0016332900000000, -0.0000994800000000, -0.0002069900000000 ] - [ -0.0002886600000000, -0.0001050500000000, 0.0000547100000000 ] - [ -0.0002765200000000, 0.0001111500000000, 0.0000118600000000 ] - [ -0.0003818100000000, 0.0000860500000000, 0.0000890500000000 ] - [ -0.0003215200000000, 0.0001614800000000, -0.0000845500000000 ] - [ 0.0007797500000000, -0.0004381200000000, 0.0006032600000000 ] - [ -0.0005274100000000, 0.0000228900000000, -0.0002138400000000 ] - [ -0.0014971100000000, 0.0002072400000000, 0.0002652100000000 ] - [ -0.0003397100000000, 0.0000061800000000, -0.0000481000000000 ] - [ -0.0006800900000000, -0.0000329500000000, -0.0000127500000000 ] - [ -0.0006741200000000, 0.0000033000000000, 0.0002108700000000 ] - [ -0.0002951500000000, 0.0001180100000000, 0.0001383200000000 ] - [ -0.0242691300000000, 0.0185671000000000, -0.0038836600000000 ] - [ -0.0003721300000000, -0.0000477000000000, 0.0000184300000000 ] - [ -0.0006422600000000, 0.0000118800000000, 0.0002029900000000 ] - [ -0.0003844500000000, 0.0000108500000000, 0.0000848600000000 ] - [ 0.0002610800000000, -0.0002534300000000, -0.0000945500000000 ] - [ -0.0002800600000000, -0.0001635700000000, -0.0001232600000000 ] - [ -0.0004578500000000, -0.0000236200000000, -0.0000220600000000 ] - [ -0.0001634500000000, 0.0002353700000000, -0.0006570800000000 ] - [ -0.0005930100000000, -0.0000523700000000, -0.0002164200000000 ] - [ -0.0004932700000000, -0.0000451400000000, 0.0003083400000000 ] - [ -0.0004743100000000, -0.0000552000000000, 0.0004995800000000 ] - [ -0.0001705200000000, 0.0001231800000000, 0.0001246600000000 ] - [ -0.0003149800000000, -0.0003414900000000, -0.0010721200000000 ] - [ 0.0051228100000000, -0.0051368400000000, 0.0033498600000000 ] - [ -0.0005274000000000, 0.0005087800000000, 0.0008669100000000 ] - [ 0.0006997800000000, 0.0000312100000000, -0.0002795000000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003184200000000, -0.0000074800000000, 0.0000514400000000 ] - [ 0.0203412200000000, -0.0206431100000000, -0.0082446600000000 ] - [ -0.0006030900000000, -0.0000195000000000, -0.0001524500000000 ] - [ 0.0003874500000000, 0.0002790700000000, 0.0011160300000000 ] - [ -0.0004413700000000, 0.0000381300000000, 0.0001408000000000 ] - [ 0.0011430500000000, -0.0011599900000000, -0.0007344200000000 ] - [ -0.0006584400000000, 0.0000222000000000, -0.0001942400000000 ] - [ -0.0008103800000000, -0.0001070700000000, -0.0003119500000000 ] - [ -0.0010142000000000, -0.0003319800000000, 0.0008503200000000 ] - [ -0.0000042600000000, 0.0001877200000000, -0.0001332000000000 ] - [ 0.0008093000000000, -0.0002139600000000, -0.0002532900000000 ] - [ -0.0006236700000000, 0.0000639800000000, 0.0002009100000000 ] - [ 0.0013865800000000, 0.0036459500000000, -0.0006891400000000 ] - [ -0.0006467100000000, 0.0000440200000000, 0.0001250600000000 ] - [ 0.0054020300000000, -0.0082810700000000, -0.0008362700000000 ] - [ -0.0006460400000000, -0.0000845900000000, 0.0001722900000000 ] - [ -0.0012190800000000, -0.0006201800000000, 0.0009162900000000 ] - [ -0.0005197100000000, 0.0000606400000000, 0.0000350700000000 ] - [ 0.0010054400000000, 0.0016445500000000, -0.0004871600000000 ] - [ -0.0003527100000000, 0.0000556200000000, -0.0004013400000000 ] - [ -0.0004291200000000, -0.0000426900000000, 0.0002960500000000 ] - [ -0.0007955100000000, 0.0000062800000000, -0.0000383600000000 ] - [ -0.0007626700000000, -0.0000274300000000, 0.0000860200000000 ] - [ 0.0002310100000000, -0.0000502600000000, 0.0004116200000000 ] - [ -0.0022386300000000, 0.0006035000000000, -0.0015332400000000 ] - [ -0.0006064300000000, 0.0000675100000000, -0.0002189400000000 ] - [ -0.0006828400000000, -0.0000047100000000, 0.0000815800000000 ] - [ 0.0092539600000000, -0.0047339800000000, -0.0028904900000000 ] - [ 0.0001738200000000, 0.0005200100000000, -0.0024179900000000 ] - [ 0.0015877400000000, 0.0000116300000000, -0.0002004100000000 ] - [ 0.0940353200000000, -0.1198860800000000, 0.0835633700000000 ] - [ 0.0000052600000000, 0.0000701500000000, 0.0003401000000000 ] - [ -0.0004721900000000, -0.0001108500000000, -0.0003070800000000 ] - [ 0.0010185000000000, -0.0009740500000000, -0.0007888900000000 ] - [ 0.0002610900000000, 0.0010759400000000, 0.0001421900000000 ] - [ -0.0007278100000000, -0.0000573000000000, 0.0000630400000000 ] - [ -0.0007587800000000, 0.0000706500000000, -0.0000049700000000 ] - [ -0.0008517900000000, 0.0000093100000000, -0.0001917000000000 ] - [ -0.0007740700000000, -0.0000439500000000, -0.0002434100000000 ] - [ -0.0010839900000000, 0.0002592400000000, 0.0002576700000000 ] - [ 0.0002459900000000, 0.0001737100000000, -0.0001865300000000 ] - [ -0.0004983500000000, 0.0024759500000000, -0.0032694600000000 ] - [ -0.0002828200000000, 0.0001779600000000, 0.0016942600000000 ] - [ 0.0005141500000000, 0.0000716900000000, 0.0011803900000000 ] - [ -0.0023561100000000, 0.0007951400000000, 0.0010011100000000 ] - [ 0.0006711400000000, -0.0000129100000000, 0.0001650300000000 ] - [ -0.1444839000000000, 0.1819904200000000, -0.0860343100000000 ] - [ 0.0001082200000000, 0.0000158500000000, -0.0000775100000000 ] - [ 0.0038208400000000, 0.0016264400000000, 0.0014888700000000 ] - [ -0.0001885000000000, 0.0001197800000000, -0.0001201100000000 ] - [ -0.0015493200000000, -0.0005094100000000, 0.0005091100000000 ] - [ 0.0006190200000000, -0.0001344100000000, 0.0005913000000000 ] - [ 0.0005062500000000, -0.0000158600000000, -0.0002138900000000 ] - [ 0.0011442400000000, 0.0000255300000000, 0.0000355600000000 ] - [ -0.0023466800000000, -0.0112423500000000, 0.0178183600000000 ] - [ -0.0010998800000000, -0.0030469800000000, -0.0031894800000000 ] - [ 0.0003434800000000, -0.0001523500000000, -0.0000105000000000 ] - [ -0.0016695800000000, -0.0100580500000000, 0.0003036300000000 ] - [ -0.0004035600000000, 0.0002234100000000, 0.0004294500000000 ] - [ 0.0002903800000000, 0.0000010600000000, 0.0002067400000000 ] - [ -0.0010330100000000, -0.0001933600000000, -0.0000982700000000 ] - [ 0.0000276700000000, -0.0001164500000000, 0.0000407700000000 ] - [ 0.0002476400000000, -0.0001573600000000, -0.0002811300000000 ] - [ 0.0005097900000000, 0.0000304400000000, -0.0001439900000000 ] - [ 0.0002954000000000, 0.0000881200000000, 0.0001229900000000 ] - [ 0.0006343600000000, -0.0000176500000000, 0.0002421300000000 ] - [ 0.0002590300000000, -0.0001219800000000, -0.0000514300000000 ] - [ 0.0006137800000000, 0.0000622100000000, -0.0002319100000000 ] - [ -0.0018593100000000, 0.0004106400000000, 0.0000192400000000 ] - [ 0.0005052600000000, -0.0001433900000000, -0.0000523800000000 ] - [ 0.0004937000000000, 0.0001333700000000, -0.0000102700000000 ] - [ 0.0003751300000000, 0.0000418800000000, 0.0004282700000000 ] - [ 0.0005245300000000, 0.0001617400000000, -0.0001154500000000 ] - [ -0.0005207900000000, 0.0004930700000000, -0.0005138700000000 ] - [ 0.0003306900000000, -0.0002261500000000, -0.0002224400000000 ] - [ 0.0012764100000000, -0.0002098400000000, -0.0002136200000000 ] - [ 0.0005489200000000, -0.0000070600000000, 0.0001005500000000 ] - [ 0.0008895800000000, 0.0000351900000000, 0.0000631900000000 ] - [ 0.0004227300000000, -0.0000615000000000, -0.0001355500000000 ] - [ 0.0002918200000000, 0.0001052700000000, 0.0002491900000000 ] - [ 0.0248622300000000, -0.0184376100000000, 0.0034447700000000 ] - [ 0.0001530300000000, 0.0000469700000000, 0.0000335500000000 ] - [ 0.0003885400000000, 0.0000453600000000, -0.0001232300000000 ] - [ 0.0005821200000000, 0.0000717500000000, 0.0001080400000000 ] - [ -0.0004785200000000, -0.0000704200000000, -0.0001286000000000 ] - [ 0.0004838800000000, -0.0001584000000000, -0.0000734200000000 ] - [ 0.0006509400000000, -0.0000579900000000, 0.0002100000000000 ] - [ -0.0000619000000000, -0.0003151100000000, 0.0008473700000000 ] - [ 0.0003951100000000, 0.0002526500000000, -0.0002249100000000 ] - [ 0.0004874700000000, -0.0001767400000000, 0.0000759700000000 ] - [ 0.0004674700000000, -0.0000711900000000, 0.0000130000000000 ] - [ -0.0000362600000000, -0.0000406900000000, 0.0000769500000000 ] - [ 0.0000928100000000, 0.0005972000000000, 0.0010721200000000 ] - [ -0.0050110300000000, 0.0051325100000000, -0.0034116100000000 ] - [ 0.0003033400000000, -0.0007526800000000, -0.0008593900000000 ] - [ -0.0004974100000000, -0.0002333100000000, -0.0001549500000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001769400000000, 0.0000105900000000, -0.0002043000000000 ] - [ -0.0062799100000000, 0.0104862300000000, 0.0158817000000000 ] - [ 0.0000503700000000, 0.0000040400000000, -0.0002323200000000 ] - [ 0.0030481400000000, -0.0002089400000000, -0.0030918200000000 ] - [ 0.0005712900000000, -0.0000745100000000, -0.0001135600000000 ] - [ -0.0074125500000000, -0.0008162900000000, 0.0008029900000000 ] - [ -0.0000421400000000, 0.0000038200000000, -0.0001232900000000 ] - [ -0.0006344600000000, -0.0000765800000000, 0.0001237100000000 ] - [ 0.0017303100000000, -0.0004508200000000, 0.0018751500000000 ] - [ -0.0013815900000000, -0.0001227100000000, -0.0013442500000000 ] - [ -0.0007057000000000, -0.0004134300000000, -0.0058284000000000 ] - [ 0.0000416100000000, 0.0000618000000000, 0.0004340200000000 ] - [ -0.0014279000000000, -0.0012111600000000, 0.0056862200000000 ] - [ -0.0001273500000000, 0.0000068900000000, -0.0000725300000000 ] - [ -0.0015815500000000, 0.0036165500000000, 0.0127215200000000 ] - [ 0.0003415800000000, 0.0000295000000000, 0.0000899400000000 ] - [ 0.0021120800000000, -0.0004929100000000, 0.0012335300000000 ] - [ -0.0002672100000000, 0.0000250800000000, -0.0000783000000000 ] - [ -0.0020748900000000, -0.0004589600000000, -0.0074673100000000 ] - [ -0.0014896300000000, -0.0004560300000000, -0.0014423200000000 ] - [ 0.0007774700000000, 0.0000539900000000, -0.0006244500000000 ] - [ -0.0008815300000000, 0.0003678400000000, 0.0011100400000000 ] - [ -0.0000777700000000, -0.0000423800000000, 0.0002976300000000 ] - [ 0.0008246300000000, 0.0001192300000000, -0.0034298900000000 ] - [ -0.0003971700000000, -0.0003848500000000, 0.0013561600000000 ] - [ -0.0002496600000000, 0.0000482600000000, -0.0000703000000000 ] - [ 0.0003378300000000, -0.0000609400000000, -0.0000063000000000 ] - [ 0.0088010500000000, 0.0034703500000000, -0.0077216100000000 ] - [ -0.0029292600000000, 0.0043534700000000, -0.0050379900000000 ] - [ 0.0009467200000000, -0.0003461700000000, -0.0075402000000000 ] - [ 0.0886736700000000, -0.0880426700000000, 0.1292380300000000 ] - [ 0.0003160700000000, -0.0002166200000000, -0.0017253600000000 ] - [ -0.0001576700000000, 0.0001332200000000, -0.0010142900000000 ] - [ -0.0084210300000000, 0.0035527800000000, -0.0048751800000000 ] - [ 0.0026490100000000, -0.0004889700000000, -0.0019512000000000 ] - [ 0.0001110000000000, -0.0000459100000000, -0.0000380600000000 ] - [ -0.0001794100000000, 0.0000606800000000, -0.0000337700000000 ] - [ 0.0000220000000000, -0.0000221900000000, 0.0000425000000000 ] - [ -0.0000111900000000, -0.0000199100000000, -0.0004151200000000 ] - [ 0.0003160800000000, 0.0002417400000000, 0.0006918800000000 ] - [ -0.0002969000000000, 0.0002471100000000, -0.0000318700000000 ] - [ -0.0065011800000000, 0.0005447800000000, 0.0088078000000000 ] - [ 0.0043428400000000, -0.0013825900000000, 0.0076851300000000 ] - [ 0.0012467100000000, -0.0004138300000000, -0.0004837900000000 ] - [ -0.0012438200000000, -0.0005701500000000, 0.0049030900000000 ] - [ -0.0000568900000000, 0.0000719900000000, -0.0000868000000000 ] - [ -0.0910667900000000, 0.0858799200000000, -0.1746574100000000 ] - [ -0.0003421500000000, 0.0002303100000000, 0.0007888800000000 ] - [ -0.0000042900000000, -0.0010162800000000, -0.0032043900000000 ] - [ 0.0003495100000000, -0.0001812700000000, 0.0022714400000000 ] - [ -0.0001765500000000, 0.0010922200000000, 0.0044050300000000 ] - [ 0.0007447700000000, 0.0003430200000000, -0.0009208600000000 ] - [ 0.0000792600000000, 0.0000913700000000, -0.0000603200000000 ] - [ 0.0001436600000000, 0.0003339100000000, -0.0006123100000000 ] - [ 0.0011480900000000, -0.0147254300000000, 0.0115876000000000 ] - [ -0.0038414900000000, -0.0008380600000000, -0.0000397800000000 ] - [ 0.0000231900000000, -0.0001250400000000, -0.0001752000000000 ] - [ 0.0056596000000000, 0.0025664700000000, -0.0000034400000000 ] - [ 0.0024980800000000, -0.0011648800000000, 0.0023668300000000 ] - [ 0.0002626700000000, -0.0001045000000000, 0.0002507700000000 ] - [ -0.0001314800000000, 0.0002085300000000, 0.0044198800000000 ] - [ -0.0006400500000000, 0.0001257200000000, 0.0012857500000000 ] - [ -0.0011499500000000, -0.0003101500000000, 0.0008595600000000 ] - [ -0.0004043300000000, -0.0000095000000000, -0.0000815600000000 ] - [ 0.0000290400000000, 0.0001881900000000, 0.0000745600000000 ] - [ 0.0001870200000000, -0.0000959400000000, 0.0001588600000000 ] - [ -0.0002924400000000, -0.0001782700000000, -0.0001056600000000 ] - [ 0.0001255600000000, -0.0000756400000000, -0.0003165600000000 ] - [ -0.0049821600000000, -0.0010245100000000, -0.0008069100000000 ] - [ 0.0000536300000000, -0.0001829500000000, 0.0000304600000000 ] - [ 0.0001998300000000, 0.0001830700000000, -0.0000603700000000 ] - [ 0.0005489000000000, 0.0001692600000000, 0.0005339800000000 ] - [ 0.0000588900000000, 0.0001511500000000, -0.0001562100000000 ] - [ -0.0010518400000000, -0.0012559300000000, 0.0033414900000000 ] - [ -0.0001020400000000, -0.0000812100000000, -0.0000822400000000 ] - [ -0.0000229900000000, 0.0000597500000000, -0.0011832800000000 ] - [ 0.0002057300000000, -0.0001121500000000, 0.0004629700000000 ] - [ 0.0000086800000000, -0.0001822900000000, -0.0003205400000000 ] - [ -0.0000210700000000, -0.0000755200000000, -0.0000449300000000 ] - [ 0.0003218300000000, 0.0000122500000000, 0.0007923800000000 ] - [ -0.0041222800000000, 0.0038352200000000, -0.0119494500000000 ] - [ -0.0002941200000000, 0.0000766300000000, 0.0012091900000000 ] - [ -0.0001216800000000, 0.0000885900000000, 0.0001231500000000 ] - [ -0.0001272300000000, 0.0000814800000000, 0.0001600700000000 ] - [ 0.0018274300000000, -0.0000936700000000, 0.0039709000000000 ] - [ 0.0002040400000000, -0.0002194600000000, -0.0000527000000000 ] - [ 0.0002410800000000, -0.0000140500000000, 0.0000008600000000 ] - [ 0.0037800600000000, 0.0004770100000000, -0.0004130200000000 ] - [ -0.0001094800000000, 0.0000836700000000, -0.0002940200000000 ] - [ -0.0004114300000000, -0.0001775600000000, -0.0003775400000000 ] - [ -0.0006417200000000, 0.0001196400000000, -0.0001755600000000 ] - [ -0.0017515000000000, 0.0007343000000000, 0.0014464200000000 ] - [ 0.0021741600000000, -0.0012470100000000, 0.0003664600000000 ] - [ 0.0215139900000000, -0.0050812900000000, 0.0126054900000000 ] - [ -0.0031936600000000, 0.0008986300000000, 0.0011664000000000 ] - [ 0.0000049800000000, -0.0001481800000000, 0.0035184300000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000527100000000, -0.0000651200000000, 0.0004258900000000 ] - [ 0.0059673600000000, -0.0103600000000000, -0.0157540200000000 ] - [ -0.0000514000000000, -0.0000038800000000, -0.0001201100000000 ] - [ -0.0029814500000000, 0.0001928000000000, 0.0031318200000000 ] - [ -0.0006258000000000, 0.0000630400000000, 0.0001475400000000 ] - [ 0.0074798900000000, 0.0008310500000000, -0.0008064400000000 ] - [ 0.0000421300000000, -0.0000041500000000, -0.0002296100000000 ] - [ 0.0005756200000000, 0.0000878100000000, -0.0000946600000000 ] - [ -0.0017365300000000, 0.0002782600000000, -0.0014897300000000 ] - [ 0.0013893000000000, 0.0002948600000000, 0.0017156300000000 ] - [ 0.0004881900000000, 0.0003586200000000, 0.0060600400000000 ] - [ 0.0001857900000000, -0.0000061100000000, -0.0002071800000000 ] - [ 0.0017075200000000, 0.0011321800000000, -0.0054333500000000 ] - [ -0.0000991100000000, 0.0000477000000000, 0.0002924800000000 ] - [ 0.0020478400000000, -0.0040831700000000, -0.0140426000000000 ] - [ -0.0002811000000000, -0.0000402600000000, -0.0000594500000000 ] - [ -0.0021670400000000, 0.0004836600000000, -0.0012222000000000 ] - [ 0.0003249000000000, -0.0000148000000000, 0.0001108300000000 ] - [ 0.0020660600000000, 0.0004518500000000, 0.0071189100000000 ] - [ 0.0014317100000000, 0.0004665700000000, 0.0014794600000000 ] - [ -0.0007804900000000, -0.0002259600000000, 0.0009966800000000 ] - [ 0.0008865600000000, -0.0001945900000000, -0.0007258900000000 ] - [ -0.0001477100000000, -0.0000131500000000, -0.0000717900000000 ] - [ -0.0006107700000000, -0.0000642800000000, 0.0036609800000000 ] - [ 0.0003822700000000, 0.0002314200000000, -0.0016811900000000 ] - [ 0.0003293300000000, 0.0000485500000000, 0.0000156100000000 ] - [ -0.0002608200000000, -0.0000344600000000, -0.0000389100000000 ] - [ -0.0088546900000000, -0.0035408600000000, 0.0076992100000000 ] - [ 0.0028774200000000, -0.0042816900000000, 0.0049562900000000 ] - [ -0.0009552000000000, 0.0003465400000000, 0.0071606000000000 ] - [ -0.0847550700000000, 0.0842261700000000, -0.1275206200000000 ] - [ -0.0003098300000000, 0.0003767200000000, 0.0014187200000000 ] - [ 0.0001554200000000, -0.0002923600000000, 0.0007041900000000 ] - [ 0.0085042100000000, -0.0034418100000000, 0.0048385000000000 ] - [ -0.0025973200000000, 0.0004042800000000, 0.0018704500000000 ] - [ -0.0001870400000000, -0.0000502200000000, -0.0000100300000000 ] - [ 0.0001018700000000, 0.0000334600000000, -0.0000128600000000 ] - [ -0.0000241700000000, 0.0000217100000000, -0.0004445600000000 ] - [ 0.0000110500000000, 0.0000210000000000, 0.0000034400000000 ] - [ -0.0003084800000000, -0.0000832100000000, -0.0010083700000000 ] - [ 0.0000576500000000, 0.0001011300000000, -0.0001753500000000 ] - [ 0.0066725500000000, -0.0008402000000000, -0.0087474300000000 ] - [ -0.0041502700000000, 0.0017106900000000, -0.0077593300000000 ] - [ -0.0012482900000000, 0.0005392300000000, 0.0008924000000000 ] - [ 0.0014804800000000, 0.0009140400000000, -0.0051162500000000 ] - [ 0.0002519000000000, 0.0000389900000000, 0.0001613300000000 ] - [ 0.0864645500000000, -0.0817659500000000, 0.1729665600000000 ] - [ 0.0001048200000000, -0.0002491200000000, -0.0006694400000000 ] - [ 0.0002620900000000, 0.0010366900000000, 0.0033348200000000 ] - [ -0.0001275200000000, 0.0001630800000000, -0.0021561300000000 ] - [ -0.0000320400000000, -0.0012176300000000, -0.0043343900000000 ] - [ -0.0007434300000000, -0.0001354100000000, 0.0013320600000000 ] - [ 0.0001218200000000, 0.0000933500000000, -0.0003430800000000 ] - [ -0.0003696600000000, -0.0003142200000000, 0.0007283800000000 ] - [ -0.0013207400000000, 0.0145921300000000, -0.0114349600000000 ] - [ 0.0039881700000000, 0.0009136200000000, 0.0001735900000000 ] - [ -0.0002599600000000, -0.0002215100000000, -0.0000290800000000 ] - [ -0.0054448200000000, -0.0029206200000000, -0.0001491400000000 ] - [ -0.0023621500000000, 0.0010810700000000, -0.0021861200000000 ] - [ -0.0004131300000000, 0.0000142800000000, -0.0000755200000000 ] - [ -0.0000663400000000, -0.0000243400000000, -0.0048302600000000 ] - [ 0.0006367300000000, -0.0003401000000000, -0.0008788200000000 ] - [ 0.0011467600000000, 0.0001836200000000, -0.0004641200000000 ] - [ 0.0002593500000000, 0.0000982400000000, 0.0002478800000000 ] - [ -0.0002684000000000, 0.0001190100000000, -0.0000887400000000 ] - [ 0.0000090200000000, -0.0000140400000000, -0.0000798200000000 ] - [ 0.0000523000000000, -0.0001301000000000, 0.0000874500000000 ] - [ 0.0000768000000000, -0.0001081500000000, -0.0000919700000000 ] - [ 0.0047551700000000, 0.0013769100000000, 0.0006430700000000 ] - [ 0.0001869200000000, -0.0001225900000000, -0.0000437600000000 ] - [ 0.0000415800000000, 0.0001264000000000, 0.0000418600000000 ] - [ -0.0005486300000000, -0.0000444900000000, -0.0001376900000000 ] - [ 0.0001792400000000, 0.0001963900000000, -0.0000495000000000 ] - [ 0.0012607500000000, 0.0013799700000000, -0.0032667200000000 ] - [ -0.0000965700000000, -0.0001032200000000, -0.0003220600000000 ] - [ -0.0002230500000000, -0.0000795800000000, 0.0013026900000000 ] - [ 0.0000247000000000, 0.0001318600000000, -0.0003456600000000 ] - [ 0.0002180000000000, 0.0001636500000000, 0.0004346100000000 ] - [ -0.0001712400000000, -0.0000355000000000, 0.0001196500000000 ] - [ -0.0003210400000000, 0.0002015600000000, -0.0003849700000000 ] - [ 0.0041282100000000, -0.0034806100000000, 0.0115218200000000 ] - [ 0.0000686000000000, -0.0000590000000000, -0.0010936100000000 ] - [ -0.0000726800000000, 0.0000211100000000, -0.0000441100000000 ] - [ 0.0002753300000000, 0.0000090600000000, 0.0000142800000000 ] - [ -0.0020616400000000, -0.0002532700000000, -0.0041763900000000 ] - [ 0.0000352200000000, -0.0001278400000000, -0.0001530600000000 ] - [ -0.0000976300000000, -0.0000743500000000, 0.0001655900000000 ] - [ -0.0039115300000000, -0.0005587300000000, 0.0005665700000000 ] - [ -0.0000900000000000, 0.0001009500000000, -0.0001137800000000 ] - [ 0.0004100200000000, -0.0000338600000000, 0.0007852100000000 ] - [ 0.0006418200000000, -0.0002439900000000, 0.0005844500000000 ] - [ 0.0016153000000000, -0.0006502500000000, -0.0012672900000000 ] - [ -0.0024140200000000, 0.0015480100000000, -0.0004004800000000 ] - [ -0.0210727900000000, 0.0049586500000000, -0.0124293500000000 ] - [ 0.0029885200000000, -0.0012293500000000, -0.0011725600000000 ] - [ 0.0002001000000000, -0.0000338200000000, -0.0039270000000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0327265800000000, 0.0132757300000000, -0.0062918600000000 ] - [ -0.0000833000000000, 0.0002781200000000, 0.0013546000000000 ] - [ -0.0026937700000000, 0.0001603100000000, -0.0033783100000000 ] - [ -0.0028832400000000, -0.0035019200000000, 0.0053666000000000 ] - [ 0.0175787100000000, -0.0027385500000000, 0.0013520700000000 ] - [ 0.0021629900000000, -0.0003055900000000, -0.0021574400000000 ] - [ -0.0014200000000000, -0.0000798600000000, 0.0019582200000000 ] - [ 0.0062919100000000, 0.0006884400000000, 0.0029122200000000 ] - [ 0.0050839300000000, 0.0012567300000000, 0.0040199500000000 ] - [ 0.0165001300000000, 0.0002806800000000, -0.0046973300000000 ] - [ -0.0061370500000000, 0.0023942000000000, -0.0025618400000000 ] - [ 0.0031079000000000, -0.0000996400000000, -0.0004330100000000 ] - [ -0.0020323800000000, -0.0000215200000000, 0.0002249200000000 ] - [ -0.0034293500000000, 0.0000925600000000, 0.0002582800000000 ] - [ -0.0020370200000000, -0.0000191900000000, -0.0007552800000000 ] - [ -0.0023786200000000, -0.0002628500000000, 0.0006332500000000 ] - [ -0.0024952400000000, 0.0002286500000000, -0.0003432700000000 ] - [ -0.0026586800000000, 0.0002564000000000, 0.0000322200000000 ] - [ -0.0029996400000000, 0.0000516700000000, 0.0005801200000000 ] - [ -0.0026645900000000, -0.0002448000000000, -0.0002749200000000 ] - [ -0.0026768200000000, -0.0000792900000000, 0.0002086800000000 ] - [ -0.0024165600000000, 0.0000910000000000, 0.0001645200000000 ] - [ -0.0017596300000000, 0.0000063400000000, 0.0000229600000000 ] - [ -0.0025385400000000, -0.0000118000000000, 0.0000347800000000 ] - [ 0.0048397700000000, -0.0005181500000000, -0.0009353100000000 ] - [ 0.0034638800000000, 0.0023835600000000, 0.0049085800000000 ] - [ 0.0036976900000000, -0.0005712300000000, -0.0080297500000000 ] - [ -0.0017967100000000, 0.0005827500000000, 0.0032737000000000 ] - [ -0.0018598600000000, -0.0000562400000000, -0.0023280400000000 ] - [ -0.0040123800000000, -0.0004323800000000, -0.0013353200000000 ] - [ -0.0027170600000000, -0.0002952400000000, 0.0004495000000000 ] - [ 0.1574841300000000, -0.0564641100000000, -0.0651529000000000 ] - [ -0.0030800600000000, -0.0000720500000000, -0.0002647000000000 ] - [ -0.0027244600000000, -0.0000436200000000, 0.0001048300000000 ] - [ -0.0029762100000000, -0.0000012300000000, -0.0005061100000000 ] - [ -0.0035485300000000, 0.0000295700000000, 0.0012965800000000 ] - [ -0.0022403000000000, 0.0001472100000000, -0.0010186800000000 ] - [ -0.0009101800000000, 0.0002097800000000, -0.0007929700000000 ] - [ -0.0062296900000000, 0.0018287300000000, 0.0029006200000000 ] - [ -0.0027101300000000, 0.0001217100000000, -0.0000449600000000 ] - [ 0.0003115200000000, 0.0032982500000000, 0.0071705600000000 ] - [ 0.0017093400000000, -0.0003815700000000, -0.0018278900000000 ] - [ 0.0009421000000000, 0.0002126900000000, 0.0017945200000000 ] - [ -0.0039660400000000, -0.0004124400000000, 0.0027535700000000 ] - [ 0.0022386700000000, -0.0000873700000000, -0.0020378900000000 ] - [ 0.0000603600000000, -0.0000052800000000, 0.0018586800000000 ] - [ 0.0009497000000000, -0.0003109100000000, -0.0004283800000000 ] - [ -0.2568565800000000, 0.0536134300000000, 0.0984576200000000 ] - [ -0.0023441800000000, 0.0004766100000000, -0.0006988500000000 ] - [ 0.0410896300000000, -0.0015977600000000, -0.0046818000000000 ] - [ 0.0018147700000000, -0.0005695200000000, 0.0006479000000000 ] - [ -0.0030736000000000, 0.0001403100000000, -0.0001969700000000 ] - [ 0.0080125800000000, -0.0036185100000000, -0.0000799600000000 ] - [ -0.0046450100000000, -0.0000875500000000, 0.0000562600000000 ] - [ 0.0016859300000000, -0.0000443700000000, -0.0014196400000000 ] - [ -0.0001042400000000, 0.0004385600000000, -0.0022909200000000 ] - [ -0.0018203700000000, -0.0012315800000000, -0.0022632400000000 ] - [ 0.0004432400000000, 0.0002931400000000, 0.0010580300000000 ] - [ 0.0012657300000000, -0.0003288400000000, 0.0030350000000000 ] - [ -0.0076751800000000, 0.0006355100000000, -0.0033395900000000 ] - [ 0.0032611800000000, 0.0013524900000000, 0.0000511600000000 ] - [ -0.0045786300000000, -0.0086337100000000, -0.0059480600000000 ] - [ -0.0011713700000000, -0.0006219400000000, -0.0191892800000000 ] - [ -0.0054707500000000, -0.0009786100000000, 0.0030932800000000 ] - [ -0.0007675500000000, -0.0010578500000000, -0.0053015800000000 ] - [ 0.0012849400000000, 0.0024028700000000, -0.0039006000000000 ] - [ -0.0015876200000000, -0.0005226400000000, 0.0034943500000000 ] - [ -0.0001438300000000, -0.0003881800000000, -0.0004427200000000 ] - [ 0.0014223300000000, 0.0001129400000000, 0.0000464300000000 ] - [ 0.0018214100000000, -0.0003331600000000, -0.0006675800000000 ] - [ 0.0014745500000000, 0.0001019600000000, 0.0003798600000000 ] - [ 0.0018194100000000, 0.0000617600000000, 0.0003326900000000 ] - [ 0.0015071000000000, 0.0003209400000000, -0.0007997900000000 ] - [ 0.0025757200000000, -0.0001035100000000, 0.0012117000000000 ] - [ 0.0031528100000000, -0.0014755300000000, -0.0001120000000000 ] - [ 0.0020616700000000, -0.0000653200000000, -0.0002347900000000 ] - [ 0.0026945400000000, -0.0000245100000000, 0.0003982700000000 ] - [ 0.0021571800000000, 0.0000732400000000, 0.0002015300000000 ] - [ 0.0009110700000000, 0.0001073600000000, 0.0002787900000000 ] - [ 0.0017411400000000, 0.0000917000000000, 0.0002434500000000 ] - [ 0.0016265000000000, -0.0003464400000000, -0.0002978600000000 ] - [ 0.0023427800000000, 0.0000510300000000, -0.0002198800000000 ] - [ 0.0032453800000000, 0.0002315200000000, -0.0021859500000000 ] - [ 0.0024824700000000, 0.0000974000000000, 0.0000532100000000 ] - [ 0.0016733700000000, -0.0002130300000000, -0.0003122000000000 ] - [ 0.0020474700000000, -0.0000213700000000, 0.0007361900000000 ] - [ 0.0019962900000000, -0.0001503500000000, 0.0006523900000000 ] - [ 0.0019968500000000, 0.0000711800000000, -0.0002454400000000 ] - [ 0.0006686000000000, 0.0003552900000000, -0.0003874000000000 ] - [ 0.0016160600000000, -0.0001182200000000, 0.0001515600000000 ] - [ 0.0017712200000000, -0.0000698100000000, 0.0001615800000000 ] - [ 0.0021179200000000, -0.0000308400000000, -0.0000906500000000 ] - [ 0.0014725800000000, 0.0001017200000000, -0.0000168400000000 ] - [ 0.0020441300000000, -0.0000079800000000, 0.0003589500000000 ] - [ 0.0014842100000000, -0.0000390700000000, 0.0002853900000000 ] - [ 0.0023829000000000, 0.0006910400000000, -0.0001003600000000 ]- atom: 48 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0339662000000000, -0.0142546800000000, 0.0070728200000000 ] - [ -0.0001368000000000, -0.0002184000000000, -0.0011324900000000 ] - [ 0.0026918300000000, -0.0001650600000000, 0.0030500000000000 ] - [ 0.0030029200000000, 0.0034693500000000, -0.0053135200000000 ] - [ -0.0176907700000000, 0.0027528800000000, -0.0013498900000000 ] - [ -0.0020875200000000, 0.0003174800000000, 0.0021871200000000 ] - [ 0.0014206600000000, 0.0000779000000000, -0.0023374200000000 ] - [ -0.0063901600000000, -0.0006763300000000, -0.0028744300000000 ] - [ -0.0050924200000000, -0.0014364900000000, -0.0036817600000000 ] - [ -0.0163477700000000, 0.0000698800000000, 0.0052794000000000 ] - [ 0.0058995600000000, -0.0024380500000000, 0.0027803300000000 ] - [ -0.0028974100000000, 0.0001579300000000, 0.0006483300000000 ] - [ 0.0022704300000000, -0.0000394600000000, 0.0000018700000000 ] - [ 0.0032156400000000, -0.0000328800000000, -0.0000351000000000 ] - [ 0.0020445300000000, 0.0000199600000000, 0.0003947700000000 ] - [ 0.0024507300000000, 0.0002501500000000, -0.0006034500000000 ] - [ 0.0024352200000000, -0.0002439800000000, 0.0003765500000000 ] - [ 0.0027322300000000, -0.0002431700000000, 0.0000037500000000 ] - [ 0.0030085900000000, -0.0000519300000000, -0.0009333900000000 ] - [ 0.0026042400000000, 0.0002592200000000, 0.0003088600000000 ] - [ 0.0026850500000000, -0.0000896800000000, 0.0001629000000000 ] - [ 0.0024217700000000, 0.0000775100000000, 0.0002095400000000 ] - [ 0.0015303900000000, -0.0000671600000000, 0.0002023700000000 ] - [ 0.0027727200000000, 0.0000724900000000, 0.0001899000000000 ] - [ -0.0048492900000000, 0.0003495600000000, 0.0006318000000000 ] - [ -0.0034707800000000, -0.0023004800000000, -0.0049887300000000 ] - [ -0.0036752600000000, 0.0004792700000000, 0.0080109400000000 ] - [ 0.0017564400000000, -0.0006761100000000, -0.0033139400000000 ] - [ 0.0018099600000000, 0.0001442000000000, 0.0022700600000000 ] - [ 0.0040156200000000, 0.0004288700000000, 0.0009393400000000 ] - [ 0.0027310500000000, 0.0002964100000000, -0.0008439500000000 ] - [ -0.1509431000000000, 0.0524422000000000, 0.0599922400000000 ] - [ 0.0030885900000000, -0.0001007400000000, -0.0000460700000000 ] - [ 0.0027971900000000, 0.0001368100000000, -0.0001530000000000 ] - [ 0.0030449500000000, -0.0000912700000000, 0.0004547400000000 ] - [ 0.0035003200000000, -0.0001257700000000, -0.0013571800000000 ] - [ 0.0021763200000000, -0.0000552500000000, 0.0009795900000000 ] - [ 0.0008983100000000, -0.0002081900000000, 0.0003982700000000 ] - [ 0.0062667000000000, -0.0018377700000000, -0.0033105500000000 ] - [ 0.0027141500000000, 0.0000500400000000, -0.0002705500000000 ] - [ -0.0005102200000000, -0.0030052400000000, -0.0074281800000000 ] - [ -0.0014941700000000, 0.0000998400000000, 0.0018150200000000 ] - [ -0.0007160000000000, 0.0000738800000000, -0.0017980600000000 ] - [ 0.0039649800000000, 0.0005387100000000, -0.0023178100000000 ] - [ -0.0020240500000000, 0.0004096400000000, 0.0018296700000000 ] - [ 0.0001711600000000, 0.0001126000000000, -0.0017783800000000 ] - [ -0.0011639900000000, 0.0001255200000000, 0.0000016200000000 ] - [ 0.2508595800000000, -0.0485781500000000, -0.0941497000000000 ] - [ 0.0025630300000000, -0.0004698000000000, 0.0007882800000000 ] - [ -0.0400061600000000, 0.0015667300000000, 0.0047024100000000 ] - [ -0.0020363800000000, 0.0004636900000000, -0.0005581700000000 ] - [ 0.0030790500000000, 0.0000542400000000, 0.0005960700000000 ] - [ -0.0078768000000000, 0.0038359200000000, -0.0003562600000000 ] - [ 0.0044389900000000, 0.0000938400000000, 0.0000333000000000 ] - [ -0.0019121800000000, 0.0001490300000000, 0.0015022700000000 ] - [ 0.0002497600000000, -0.0003560200000000, 0.0024732500000000 ] - [ 0.0016133500000000, 0.0009071400000000, 0.0020725800000000 ] - [ -0.0002248500000000, -0.0006222700000000, -0.0012580800000000 ] - [ -0.0011276100000000, 0.0002423400000000, -0.0028571300000000 ] - [ 0.0075903100000000, -0.0007085900000000, 0.0035042700000000 ] - [ -0.0034656700000000, -0.0011631900000000, -0.0004795100000000 ] - [ 0.0044473300000000, 0.0084249500000000, 0.0063405100000000 ] - [ 0.0010536700000000, 0.0004639700000000, 0.0196232400000000 ] - [ 0.0053355800000000, 0.0010439100000000, -0.0029030800000000 ] - [ 0.0005608900000000, 0.0013519700000000, 0.0053263200000000 ] - [ -0.0010778200000000, -0.0025447200000000, 0.0040310100000000 ] - [ 0.0013820500000000, 0.0002449700000000, -0.0035154100000000 ] - [ 0.0003599800000000, 0.0002050100000000, 0.0000219700000000 ] - [ -0.0016547800000000, 0.0002171500000000, -0.0002479900000000 ] - [ -0.0015957100000000, 0.0000475900000000, 0.0006624900000000 ] - [ -0.0012435000000000, 0.0001833300000000, -0.0003961100000000 ] - [ -0.0018235800000000, 0.0000648100000000, 0.0001283200000000 ] - [ -0.0012841800000000, 0.0000087200000000, 0.0006047300000000 ] - [ -0.0023657500000000, 0.0002082900000000, -0.0011301800000000 ] - [ -0.0033800500000000, 0.0012975200000000, -0.0003191900000000 ] - [ -0.0022886100000000, 0.0000560700000000, 0.0003224800000000 ] - [ -0.0024823100000000, 0.0000320200000000, -0.0003121400000000 ] - [ -0.0019400700000000, -0.0000821500000000, -0.0001141500000000 ] - [ -0.0011206900000000, -0.0002142100000000, -0.0002023600000000 ] - [ -0.0017449900000000, 0.0001044800000000, 0.0001534700000000 ] - [ -0.0014285400000000, 0.0005378800000000, -0.0001302200000000 ] - [ -0.0025701800000000, -0.0000430800000000, 0.0003090900000000 ] - [ -0.0034799300000000, -0.0001270100000000, 0.0022843200000000 ] - [ -0.0023251900000000, -0.0000146000000000, 0.0001294100000000 ] - [ -0.0019053100000000, -0.0001171900000000, 0.0001099600000000 ] - [ -0.0018267500000000, -0.0003099400000000, -0.0009450100000000 ] - [ -0.0018353400000000, 0.0000690600000000, -0.0004780200000000 ] - [ -0.0021683900000000, -0.0001524900000000, 0.0004239300000000 ] - [ -0.0008733800000000, -0.0001692900000000, -0.0000362700000000 ] - [ -0.0016203100000000, -0.0000761600000000, 0.0002445900000000 ] - [ -0.0017768800000000, -0.0000572400000000, 0.0002997900000000 ] - [ -0.0022882000000000, 0.0001132100000000, 0.0002723100000000 ] - [ -0.0017106700000000, 0.0001837900000000, 0.0000053300000000 ] - [ -0.0018385100000000, -0.0000943800000000, -0.0002809700000000 ] - [ -0.0017212700000000, -0.0002479300000000, -0.0002950200000000 ] - [ -0.0021794100000000, -0.0008774400000000, -0.0003246400000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0147528800000000, 0.0118711700000000, -0.0047464200000000 ] - [ -0.0002533600000000, -0.0000078700000000, -0.0005206600000000 ] - [ 0.0002502800000000, -0.0004267300000000, -0.0004216800000000 ] - [ 0.0013559900000000, -0.0012195200000000, -0.0008580100000000 ] - [ -0.0022980600000000, 0.0057327200000000, -0.0073365300000000 ] - [ -0.0003554700000000, -0.0000184800000000, -0.0002390600000000 ] - [ 0.0000661800000000, 0.0000716300000000, 0.0002141700000000 ] - [ 0.0002312100000000, 0.0000881000000000, 0.0005113600000000 ] - [ -0.0009508900000000, -0.0001038700000000, -0.0008310600000000 ] - [ -0.0006755900000000, 0.0036025800000000, 0.0028791400000000 ] - [ 0.0005546400000000, -0.0002445900000000, 0.0012183300000000 ] - [ 0.0004969900000000, 0.0000331900000000, 0.0006657800000000 ] - [ 0.0001899700000000, -0.0000327100000000, 0.0000535400000000 ] - [ -0.0001516800000000, 0.0000909300000000, 0.0000888200000000 ] - [ -0.0001803800000000, -0.0000349300000000, -0.0002908200000000 ] - [ 0.0000879800000000, 0.0000008000000000, 0.0000501400000000 ] - [ 0.0000079100000000, -0.0000116900000000, 0.0000125800000000 ] - [ 0.0000933900000000, -0.0000102300000000, -0.0000342900000000 ] - [ 0.0003620200000000, -0.0000248700000000, -0.0001192400000000 ] - [ 0.0000607500000000, 0.0000178600000000, 0.0000372600000000 ] - [ 0.0000375300000000, -0.0000875300000000, 0.0001956800000000 ] - [ 0.0000911000000000, 0.0000853500000000, 0.0001759300000000 ] - [ 0.0000178400000000, -0.0000374900000000, 0.0001360200000000 ] - [ 0.0001724400000000, 0.0000347400000000, 0.0001831500000000 ] - [ -0.0003875200000000, -0.0003424200000000, -0.0010713700000000 ] - [ 0.0018066400000000, 0.0001096400000000, -0.0006479200000000 ] - [ 0.0007774900000000, 0.0010483300000000, -0.0027007700000000 ] - [ 0.0002555800000000, -0.0001666900000000, -0.0004662600000000 ] - [ -0.0010556400000000, 0.0005689800000000, -0.0003697100000000 ] - [ -0.0000422000000000, 0.0002176200000000, 0.0002772500000000 ] - [ 0.0001980400000000, 0.0000877000000000, -0.0005783700000000 ] - [ -0.0530332300000000, 0.0619624300000000, 0.0303910200000000 ] - [ 0.0000630400000000, -0.0000965900000000, -0.0001614200000000 ] - [ 0.0001829300000000, 0.0000499900000000, -0.0000204400000000 ] - [ 0.0000382900000000, -0.0000333100000000, -0.0000216900000000 ] - [ -0.0000506600000000, -0.0000740300000000, 0.0001042000000000 ] - [ 0.0001305900000000, 0.0000702000000000, -0.0001444000000000 ] - [ 0.0004297200000000, 0.0000904500000000, -0.0000812800000000 ] - [ -0.0001357200000000, -0.0008566500000000, -0.0007283000000000 ] - [ 0.0000789300000000, 0.0000998200000000, -0.0001411400000000 ] - [ 0.0011753300000000, 0.0035362000000000, 0.0030976100000000 ] - [ -0.0004053200000000, 0.0002093500000000, 0.0005342900000000 ] - [ 0.0004101700000000, 0.0000455100000000, -0.0000957400000000 ] - [ 0.0000754600000000, -0.0007748200000000, 0.0016168000000000 ] - [ -0.0004832800000000, -0.0001524700000000, -0.0000536400000000 ] - [ -0.0002036500000000, -0.0002597800000000, 0.0003786700000000 ] - [ -0.0000896800000000, -0.0001115200000000, 0.0000347900000000 ] - [ 0.0503049800000000, -0.1047137200000000, -0.0287400500000000 ] - [ 0.0005862500000000, 0.0000170000000000, 0.0005902200000000 ] - [ 0.0015827100000000, -0.0067620900000000, 0.0005672800000000 ] - [ 0.0004099700000000, -0.0001093300000000, -0.0002383900000000 ] - [ 0.0001635100000000, 0.0001590600000000, 0.0004358900000000 ] - [ -0.0012331600000000, -0.0015480800000000, 0.0008202500000000 ] - [ -0.0000135600000000, 0.0000483200000000, 0.0001863700000000 ] - [ -0.0004129800000000, 0.0001142100000000, 0.0003681700000000 ] - [ 0.0000301100000000, -0.0002724000000000, 0.0008508700000000 ] - [ -0.0004316400000000, -0.0003947200000000, -0.0003368900000000 ] - [ 0.0004099800000000, -0.0002384700000000, 0.0002808700000000 ] - [ 0.0028020800000000, 0.0009836500000000, 0.0002811800000000 ] - [ -0.0010060000000000, 0.0054992400000000, 0.0007174800000000 ] - [ -0.0002919300000000, 0.0000681600000000, -0.0005283100000000 ] - [ -0.0135998000000000, 0.0274015900000000, 0.0086775300000000 ] - [ 0.0009172100000000, -0.0065476800000000, -0.0013258700000000 ] - [ -0.0004356400000000, 0.0023736900000000, -0.0012594900000000 ] - [ -0.0008244600000000, -0.0005460500000000, -0.0003880100000000 ] - [ 0.0002037900000000, 0.0012054900000000, -0.0007172700000000 ] - [ -0.0013197900000000, -0.0013502600000000, -0.0004305500000000 ] - [ -0.0001623500000000, -0.0002149400000000, -0.0003786000000000 ] - [ -0.0001133800000000, 0.0001730100000000, -0.0000802000000000 ] - [ 0.0001260700000000, -0.0001393400000000, -0.0000612800000000 ] - [ 0.0000401900000000, 0.0001196900000000, 0.0000548800000000 ] - [ -0.0000568900000000, 0.0000621400000000, 0.0002514300000000 ] - [ 0.0000485800000000, 0.0001800000000000, -0.0001717900000000 ] - [ 0.0001348600000000, 0.0000032200000000, -0.0000617000000000 ] - [ 0.0000575500000000, 0.0001143000000000, -0.0001346300000000 ] - [ -0.0001735400000000, -0.0000058100000000, 0.0000530300000000 ] - [ 0.0000786300000000, 0.0000077800000000, 0.0000433900000000 ] - [ 0.0000300500000000, 0.0000001900000000, 0.0000164500000000 ] - [ -0.0003491500000000, -0.0000205400000000, 0.0001232400000000 ] - [ -0.0000456000000000, 0.0001061900000000, 0.0001999300000000 ] - [ 0.0000676900000000, 0.0001030700000000, -0.0000836000000000 ] - [ -0.0001592000000000, 0.0000012200000000, 0.0000313900000000 ] - [ -0.0001112800000000, 0.0001492600000000, 0.0001512500000000 ] - [ 0.0000748700000000, 0.0000430700000000, 0.0000589300000000 ] - [ -0.0001976200000000, -0.0001597000000000, -0.0001211800000000 ] - [ 0.0000505800000000, -0.0001548400000000, -0.0000426500000000 ] - [ -0.0000108500000000, -0.0000385100000000, 0.0001028900000000 ] - [ -0.0001803800000000, -0.0000536400000000, 0.0001138800000000 ] - [ -0.0002406200000000, 0.0000452100000000, -0.0002748300000000 ] - [ -0.0000392500000000, -0.0001093200000000, 0.0001933600000000 ] - [ -0.0000337500000000, -0.0000657000000000, 0.0002311600000000 ] - [ -0.0001135300000000, 0.0000358800000000, 0.0000841600000000 ] - [ -0.0002008600000000, 0.0001352700000000, 0.0000048100000000 ] - [ -0.0000028900000000, -0.0000269800000000, 0.0000982000000000 ] - [ -0.0001013400000000, -0.0001438100000000, -0.0000142800000000 ] - [ 0.0000428000000000, -0.0001305000000000, -0.0003752700000000 ]- atom: 48 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0148883900000000, -0.0119804200000000, 0.0051107100000000 ] - [ 0.0000120100000000, 0.0000744100000000, 0.0007463300000000 ] - [ -0.0002433600000000, 0.0004277800000000, 0.0000682600000000 ] - [ -0.0012969500000000, 0.0012481500000000, 0.0008913900000000 ] - [ 0.0020907400000000, -0.0053684900000000, 0.0068975000000000 ] - [ 0.0004092600000000, 0.0000289200000000, 0.0002726800000000 ] - [ -0.0000612600000000, -0.0000733900000000, -0.0005700800000000 ] - [ -0.0003035800000000, -0.0000837900000000, -0.0004789500000000 ] - [ 0.0009318500000000, -0.0000874800000000, 0.0011787600000000 ] - [ 0.0008661900000000, -0.0031369200000000, -0.0022649200000000 ] - [ -0.0007790600000000, 0.0001551100000000, -0.0009769700000000 ] - [ -0.0002584400000000, 0.0000375300000000, -0.0004300000000000 ] - [ 0.0000573100000000, -0.0000361600000000, 0.0001789200000000 ] - [ -0.0000832000000000, -0.0000248300000000, 0.0001377100000000 ] - [ 0.0001812500000000, 0.0000344600000000, -0.0000599100000000 ] - [ -0.0000226900000000, -0.0000146100000000, -0.0000154000000000 ] - [ -0.0000625700000000, -0.0000054500000000, 0.0000220900000000 ] - [ -0.0000269500000000, 0.0000231700000000, 0.0000685000000000 ] - [ -0.0003552400000000, 0.0000251800000000, -0.0002378500000000 ] - [ -0.0001148700000000, -0.0000036800000000, -0.0000042200000000 ] - [ -0.0000298300000000, -0.0000837300000000, 0.0001713800000000 ] - [ -0.0000855800000000, 0.0000852800000000, 0.0001987400000000 ] - [ -0.0002528400000000, -0.0000314900000000, 0.0000968600000000 ] - [ 0.0000722400000000, 0.0000293800000000, 0.0000432600000000 ] - [ 0.0003740500000000, 0.0001410700000000, 0.0007638900000000 ] - [ -0.0016945500000000, -0.0000000700000000, 0.0005888500000000 ] - [ -0.0006998700000000, -0.0011623700000000, 0.0026689300000000 ] - [ -0.0003317400000000, 0.0000684500000000, 0.0004173500000000 ] - [ 0.0009578000000000, -0.0004645800000000, 0.0003304200000000 ] - [ 0.0000475000000000, -0.0002163400000000, -0.0007097500000000 ] - [ -0.0001927300000000, -0.0000859800000000, 0.0001429400000000 ] - [ 0.0546797400000000, -0.0618220900000000, -0.0316803000000000 ] - [ -0.0000533500000000, -0.0001086900000000, -0.0001400800000000 ] - [ -0.0000922100000000, 0.0000419000000000, -0.0000195000000000 ] - [ 0.0000507100000000, -0.0000566700000000, -0.0000166700000000 ] - [ -0.0000257000000000, -0.0000238100000000, -0.0001449100000000 ] - [ -0.0002064200000000, 0.0000187500000000, 0.0001082300000000 ] - [ -0.0004257200000000, -0.0000947500000000, -0.0003432300000000 ] - [ 0.0001455700000000, 0.0008543300000000, 0.0002891200000000 ] - [ -0.0000759000000000, 0.0001024900000000, -0.0001607800000000 ] - [ -0.0014138300000000, -0.0031913300000000, -0.0033174400000000 ] - [ 0.0006216100000000, -0.0004697200000000, -0.0005327500000000 ] - [ -0.0001858900000000, 0.0002098000000000, 0.0000898100000000 ] - [ -0.0000707400000000, 0.0008905500000000, -0.0011115500000000 ] - [ 0.0006904400000000, 0.0004827700000000, -0.0001410000000000 ] - [ 0.0004450700000000, 0.0003146700000000, -0.0003086400000000 ] - [ -0.0001067500000000, -0.0000885200000000, -0.0004714900000000 ] - [ -0.0518298000000000, 0.1043461600000000, 0.0298553300000000 ] - [ -0.0003629500000000, -0.0000140600000000, -0.0005229500000000 ] - [ -0.0015835000000000, 0.0067714800000000, -0.0004869200000000 ] - [ -0.0006524400000000, 0.0000546700000000, 0.0003143500000000 ] - [ -0.0001548700000000, 0.0000573400000000, -0.0000390700000000 ] - [ 0.0014228800000000, 0.0017432700000000, -0.0012559600000000 ] - [ -0.0001915900000000, -0.0000456000000000, -0.0001240800000000 ] - [ 0.0001636900000000, -0.0000538700000000, -0.0002884400000000 ] - [ 0.0001634200000000, 0.0003572100000000, -0.0006597400000000 ] - [ 0.0002151100000000, 0.0000668800000000, 0.0001459900000000 ] - [ -0.0001968700000000, -0.0000917600000000, -0.0004832200000000 ] - [ -0.0025739100000000, -0.0010550800000000, -0.0000877100000000 ] - [ 0.0007900900000000, -0.0055723600000000, -0.0004690000000000 ] - [ 0.0000855300000000, 0.0001250900000000, 0.0000946600000000 ] - [ 0.0139247300000000, -0.0278189400000000, -0.0084694300000000 ] - [ -0.0010204100000000, 0.0064175500000000, 0.0020021000000000 ] - [ 0.0002496200000000, -0.0022659000000000, 0.0014260800000000 ] - [ 0.0006041000000000, 0.0007951400000000, 0.0003901500000000 ] - [ 0.0000359500000000, -0.0012547100000000, 0.0007927700000000 ] - [ 0.0010957000000000, 0.0010759400000000, 0.0004287200000000 ] - [ 0.0003589900000000, 0.0000170900000000, -0.0000581900000000 ] - [ -0.0001017200000000, 0.0001555300000000, -0.0001250700000000 ] - [ 0.0000944400000000, -0.0001235100000000, 0.0000602500000000 ] - [ 0.0001814900000000, 0.0001402600000000, -0.0000584500000000 ] - [ 0.0000525600000000, 0.0000660600000000, 0.0002494600000000 ] - [ 0.0001595800000000, 0.0001483800000000, -0.0000326300000000 ] - [ 0.0001059500000000, 0.0000531800000000, 0.0001403000000000 ] - [ -0.0002602300000000, -0.0003115900000000, -0.0002953700000000 ] - [ -0.0000483400000000, 0.0000007100000000, 0.0000055700000000 ] - [ 0.0001318500000000, -0.0000050100000000, 0.0000185700000000 ] - [ 0.0001809100000000, -0.0000035900000000, 0.0000413200000000 ] - [ 0.0001021800000000, -0.0000367500000000, -0.0000468600000000 ] - [ 0.0000431100000000, 0.0001152600000000, 0.0001924800000000 ] - [ 0.0001255300000000, 0.0000981100000000, -0.0003528300000000 ] - [ -0.0000601300000000, 0.0000015200000000, 0.0000310500000000 ] - [ -0.0001391800000000, -0.0000905000000000, -0.0000674300000000 ] - [ 0.0001187700000000, 0.0000419000000000, 0.0001325700000000 ] - [ -0.0000185900000000, -0.0001686100000000, -0.0000781400000000 ] - [ 0.0001581600000000, -0.0001746600000000, -0.0001592900000000 ] - [ 0.0001995200000000, -0.0000454900000000, 0.0000817300000000 ] - [ -0.0000188200000000, -0.0000289100000000, 0.0000725700000000 ] - [ 0.0000395800000000, 0.0001501800000000, -0.0001632600000000 ] - [ 0.0000353700000000, -0.0001097400000000, 0.0001930800000000 ] - [ 0.0000283800000000, -0.0000619700000000, 0.0002668700000000 ] - [ -0.0000874500000000, 0.0000480000000000, 0.0001091800000000 ] - [ -0.0000269600000000, 0.0001218000000000, -0.0000074300000000 ] - [ 0.0002424800000000, -0.0000249300000000, -0.0000201500000000 ] - [ -0.0001241700000000, -0.0001191900000000, 0.0000137300000000 ] - [ 0.0001491500000000, -0.0000707800000000, -0.0000535500000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0068132800000000, -0.0050645200000000, 0.0123934000000000 ] - [ 0.0004229700000000, -0.0000683100000000, -0.0018038600000000 ] - [ -0.0021666900000000, -0.0003088400000000, 0.0016317400000000 ] - [ 0.0052831500000000, 0.0019332800000000, 0.0024188100000000 ] - [ -0.0035641400000000, -0.0039093200000000, 0.0159625100000000 ] - [ -0.0015989600000000, 0.0001897500000000, -0.0019252800000000 ] - [ 0.0019328700000000, 0.0000970000000000, -0.0020571400000000 ] - [ -0.0005036900000000, 0.0003515600000000, -0.0069299500000000 ] - [ 0.0003372400000000, -0.0019149800000000, -0.0075408500000000 ] - [ -0.0043033900000000, 0.0014205800000000, 0.0092119300000000 ] - [ -0.0005801300000000, 0.0000363800000000, 0.0018961700000000 ] - [ -0.0009615500000000, -0.0000534300000000, -0.0043316800000000 ] - [ 0.0004521000000000, -0.0000208700000000, -0.0000707500000000 ] - [ 0.0005794900000000, 0.0000302100000000, 0.0005999700000000 ] - [ -0.0002801100000000, -0.0000540100000000, -0.0006100300000000 ] - [ 0.0004786100000000, 0.0000518800000000, -0.0002833800000000 ] - [ 0.0002242900000000, -0.0000276100000000, -0.0000344600000000 ] - [ 0.0001756500000000, 0.0000139100000000, 0.0002434800000000 ] - [ 0.0009644600000000, -0.0000354900000000, 0.0002993900000000 ] - [ 0.0002841700000000, 0.0000431400000000, 0.0001400700000000 ] - [ 0.0003840300000000, -0.0001090900000000, 0.0002939900000000 ] - [ 0.0001994200000000, 0.0000556300000000, 0.0000793600000000 ] - [ -0.0001841200000000, -0.0000150700000000, -0.0003734100000000 ] - [ 0.0003070600000000, 0.0000329500000000, 0.0002829600000000 ] - [ -0.0004926500000000, -0.0006190900000000, -0.0063468100000000 ] - [ 0.0052956500000000, -0.0019120100000000, -0.0045088300000000 ] - [ -0.0051528900000000, -0.0016712000000000, -0.0020428200000000 ] - [ 0.0027530000000000, -0.0005579000000000, 0.0001748500000000 ] - [ -0.0022831100000000, 0.0007173500000000, -0.0010685600000000 ] - [ -0.0001401400000000, 0.0002678600000000, 0.0007374000000000 ] - [ 0.0008649200000000, 0.0002273000000000, -0.0011167900000000 ] - [ -0.0636620400000000, 0.0319870900000000, 0.0827357600000000 ] - [ 0.0003532500000000, -0.0001191100000000, 0.0000195000000000 ] - [ 0.0005659600000000, 0.0000606500000000, 0.0001003800000000 ] - [ 0.0001497200000000, -0.0000435800000000, -0.0001145700000000 ] - [ 0.0011184200000000, -0.0000302700000000, -0.0005694200000000 ] - [ -0.0005001300000000, 0.0000581000000000, 0.0004169200000000 ] - [ -0.0014910800000000, 0.0005201000000000, -0.0026826700000000 ] - [ 0.0027990800000000, 0.0005131800000000, 0.0021132600000000 ] - [ 0.0003084000000000, 0.0000412900000000, -0.0003379200000000 ] - [ 0.0049687500000000, 0.0001971300000000, -0.0030390000000000 ] - [ -0.0017427600000000, -0.0000619900000000, 0.0002943400000000 ] - [ 0.0009258600000000, -0.0000694800000000, 0.0000097100000000 ] - [ 0.0020885500000000, 0.0009549800000000, 0.0066428300000000 ] - [ -0.0011249100000000, -0.0004361300000000, -0.0009843200000000 ] - [ 0.0023971500000000, 0.0003555200000000, 0.0017835100000000 ] - [ -0.0003675800000000, 0.0000092500000000, 0.0004821800000000 ] - [ 0.0949475500000000, -0.0291439000000000, -0.1268500100000000 ] - [ 0.0008552800000000, -0.0005489400000000, 0.0035799300000000 ] - [ 0.0046789800000000, 0.0005259600000000, -0.0119870800000000 ] - [ 0.0009105100000000, -0.0001206800000000, -0.0004379800000000 ] - [ 0.0006231500000000, 0.0005495500000000, 0.0034436700000000 ] - [ -0.0014913500000000, 0.0015633100000000, -0.0035155600000000 ] - [ -0.0000926200000000, -0.0001466000000000, 0.0040652900000000 ] - [ -0.0012675600000000, 0.0001623900000000, 0.0007233400000000 ] - [ -0.0020283700000000, 0.0006316800000000, 0.0010973200000000 ] - [ -0.0011446400000000, 0.0002567000000000, 0.0036305500000000 ] - [ 0.0007653400000000, -0.0003665200000000, 0.0010796900000000 ] - [ 0.0044852900000000, 0.0007590700000000, 0.0008119700000000 ] - [ -0.0034998500000000, -0.0004173200000000, 0.0045132200000000 ] - [ -0.0001454800000000, 0.0001024600000000, -0.0009181300000000 ] - [ -0.0051931700000000, 0.0037812000000000, -0.0091605800000000 ] - [ -0.0242844500000000, 0.0005603900000000, 0.0261347400000000 ] - [ 0.0022821600000000, -0.0012271800000000, 0.0037302800000000 ] - [ -0.0041026700000000, 0.0005015200000000, 0.0034844500000000 ] - [ -0.0028081400000000, -0.0007779600000000, -0.0002300700000000 ] - [ 0.0036271400000000, 0.0002961900000000, 0.0024248800000000 ] - [ 0.0004416400000000, 0.0000501400000000, 0.0019699700000000 ] - [ -0.0002308700000000, 0.0001722900000000, 0.0000320800000000 ] - [ -0.0005056500000000, -0.0001083800000000, 0.0001478300000000 ] - [ 0.0003834200000000, 0.0001508800000000, -0.0001020400000000 ] - [ -0.0001615200000000, 0.0000401800000000, 0.0001245700000000 ] - [ -0.0002816100000000, 0.0001578700000000, 0.0003896100000000 ] - [ 0.0001049700000000, 0.0000310900000000, -0.0001326100000000 ] - [ -0.0007574600000000, 0.0001428000000000, -0.0014860900000000 ] - [ -0.0003848900000000, 0.0000157500000000, 0.0001783600000000 ] - [ -0.0002517700000000, -0.0000053000000000, -0.0001627900000000 ] - [ -0.0000555900000000, -0.0000206200000000, 0.0002017500000000 ] - [ 0.0006255800000000, -0.0001064700000000, 0.0003288700000000 ] - [ -0.0001750100000000, 0.0001128400000000, 0.0000944300000000 ] - [ -0.0001562200000000, 0.0001688800000000, 0.0001590200000000 ] - [ -0.0003707000000000, 0.0000069300000000, -0.0000157900000000 ] - [ -0.0013585700000000, -0.0000617500000000, -0.0000055400000000 ] - [ -0.0005028300000000, -0.0000351400000000, 0.0000711900000000 ] - [ -0.0003855400000000, -0.0001510700000000, -0.0002273600000000 ] - [ 0.0001753300000000, -0.0001434300000000, -0.0006168100000000 ] - [ 0.0001563700000000, -0.0000974300000000, 0.0000533900000000 ] - [ -0.0003888000000000, -0.0000753800000000, 0.0001302500000000 ] - [ 0.0000352400000000, 0.0001006600000000, 0.0009073200000000 ] - [ -0.0002076300000000, -0.0000712000000000, 0.0003021900000000 ] - [ -0.0002492300000000, -0.0000792000000000, 0.0003167000000000 ] - [ -0.0002528800000000, 0.0000238700000000, 0.0001050600000000 ] - [ -0.0004259600000000, 0.0001544200000000, -0.0000358800000000 ] - [ -0.0004201500000000, -0.0000978300000000, 0.0000866800000000 ] - [ -0.0001715900000000, -0.0001471200000000, -0.0000044400000000 ] - [ -0.0000460200000000, -0.0001334200000000, -0.0006217700000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0069499700000000, 0.0049533700000000, -0.0122197900000000 ] - [ -0.0006636500000000, 0.0001255400000000, 0.0020254600000000 ] - [ 0.0021671800000000, 0.0003087700000000, -0.0019933700000000 ] - [ -0.0052051400000000, -0.0019539900000000, -0.0024439100000000 ] - [ 0.0032854900000000, 0.0044794500000000, -0.0165415800000000 ] - [ 0.0016451000000000, -0.0001716600000000, 0.0019630300000000 ] - [ -0.0019223300000000, -0.0000960800000000, 0.0017025800000000 ] - [ 0.0004452600000000, -0.0003268800000000, 0.0069335100000000 ] - [ -0.0003451100000000, 0.0017584200000000, 0.0079147700000000 ] - [ 0.0044782300000000, -0.0009900100000000, -0.0085855700000000 ] - [ 0.0003809100000000, -0.0001144600000000, -0.0016491100000000 ] - [ 0.0012001400000000, 0.0001139300000000, 0.0045545800000000 ] - [ -0.0002189200000000, -0.0000374200000000, 0.0002965300000000 ] - [ -0.0008072200000000, 0.0000288000000000, -0.0003747700000000 ] - [ 0.0002780900000000, 0.0000544400000000, 0.0002593100000000 ] - [ -0.0004076700000000, -0.0000648600000000, 0.0003155200000000 ] - [ -0.0002880800000000, 0.0000122700000000, 0.0000672400000000 ] - [ -0.0001060000000000, 0.0000003000000000, -0.0002107400000000 ] - [ -0.0009584400000000, 0.0000350300000000, -0.0006601500000000 ] - [ -0.0003483900000000, -0.0000285500000000, -0.0001085900000000 ] - [ -0.0003787700000000, -0.0000584800000000, 0.0000770100000000 ] - [ -0.0001961300000000, 0.0001128600000000, 0.0002942600000000 ] - [ -0.0000407800000000, -0.0000451100000000, 0.0005984800000000 ] - [ -0.0000738900000000, 0.0000252200000000, -0.0000595300000000 ] - [ 0.0004844900000000, 0.0004365000000000, 0.0060218900000000 ] - [ -0.0052061100000000, 0.0019901700000000, 0.0044591600000000 ] - [ 0.0052423300000000, 0.0015820200000000, 0.0019818500000000 ] - [ -0.0028290000000000, 0.0004687400000000, -0.0002458600000000 ] - [ 0.0022075100000000, -0.0006183000000000, 0.0010306200000000 ] - [ 0.0001483000000000, -0.0002630400000000, -0.0011285800000000 ] - [ -0.0008647700000000, -0.0002243700000000, 0.0007155500000000 ] - [ 0.0659922100000000, -0.0330331700000000, -0.0834620800000000 ] - [ -0.0003467400000000, -0.0000630900000000, -0.0003314500000000 ] - [ -0.0004958200000000, 0.0000328800000000, -0.0001514100000000 ] - [ -0.0000791500000000, -0.0000486700000000, 0.0000670200000000 ] - [ -0.0011803400000000, -0.0000657100000000, 0.0005219400000000 ] - [ 0.0004388000000000, 0.0000339600000000, -0.0004675600000000 ] - [ 0.0014986200000000, -0.0005185100000000, 0.0022838500000000 ] - [ -0.0027994500000000, -0.0005048500000000, -0.0024965100000000 ] - [ -0.0003067100000000, 0.0001394400000000, 0.0000240400000000 ] - [ -0.0051953800000000, 0.0001327600000000, 0.0028672400000000 ] - [ 0.0019720400000000, -0.0002003000000000, -0.0002874700000000 ] - [ -0.0006959100000000, 0.0003349100000000, -0.0000261000000000 ] - [ -0.0020685400000000, -0.0008183000000000, -0.0061411000000000 ] - [ 0.0013379100000000, 0.0007617400000000, 0.0008038700000000 ] - [ -0.0021791600000000, -0.0002620000000000, -0.0016987500000000 ] - [ 0.0001700500000000, -0.0002055200000000, -0.0009132900000000 ] - [ -0.0975934800000000, 0.0294658700000000, 0.1280391100000000 ] - [ -0.0006184900000000, 0.0005511200000000, -0.0034969600000000 ] - [ -0.0046944400000000, -0.0005161500000000, 0.0120785100000000 ] - [ -0.0011275700000000, 0.0000276500000000, 0.0005107000000000 ] - [ -0.0006156100000000, -0.0003486200000000, -0.0030480800000000 ] - [ 0.0017075000000000, -0.0013764400000000, 0.0030821100000000 ] - [ -0.0001297300000000, 0.0001499000000000, -0.0039833000000000 ] - [ 0.0010465100000000, -0.0000620000000000, -0.0006393300000000 ] - [ 0.0022142300000000, -0.0005613400000000, -0.0008991900000000 ] - [ 0.0009183100000000, -0.0005793400000000, -0.0038232500000000 ] - [ -0.0005395300000000, 0.0000406300000000, -0.0012819800000000 ] - [ -0.0042842600000000, -0.0008319900000000, -0.0006370400000000 ] - [ 0.0033063500000000, 0.0003379400000000, -0.0043265400000000 ] - [ -0.0000685200000000, 0.0000865200000000, 0.0004864600000000 ] - [ 0.0051531600000000, -0.0039463700000000, 0.0096585700000000 ] - [ 0.0247271100000000, -0.0006595000000000, -0.0260985400000000 ] - [ -0.0024620000000000, 0.0013142000000000, -0.0035545100000000 ] - [ 0.0038417600000000, -0.0002375100000000, -0.0034809700000000 ] - [ 0.0030227100000000, 0.0006912700000000, 0.0002974600000000 ] - [ -0.0038660400000000, -0.0005641400000000, -0.0024301800000000 ] - [ -0.0002471000000000, -0.0002477500000000, -0.0023955300000000 ] - [ 0.0000096300000000, 0.0001527900000000, -0.0002336700000000 ] - [ 0.0007307800000000, -0.0001602200000000, -0.0001559200000000 ] - [ -0.0001576500000000, 0.0001150500000000, 0.0000957100000000 ] - [ 0.0001599000000000, 0.0000848200000000, 0.0003553200000000 ] - [ 0.0004987400000000, 0.0001667500000000, -0.0005886800000000 ] - [ 0.0001124500000000, 0.0000666800000000, 0.0002101100000000 ] - [ 0.0005588400000000, -0.0003421200000000, 0.0010578300000000 ] - [ 0.0001588400000000, -0.0000185400000000, -0.0001003700000000 ] - [ 0.0004717300000000, 0.0000063600000000, 0.0002414100000000 ] - [ 0.0002743700000000, 0.0000188300000000, -0.0001235700000000 ] - [ -0.0008490800000000, 0.0000093300000000, -0.0002473000000000 ] - [ 0.0001747700000000, 0.0000901400000000, 0.0002986900000000 ] - [ 0.0003545500000000, 0.0000283300000000, -0.0005901700000000 ] - [ 0.0001450500000000, -0.0000056900000000, 0.0000961100000000 ] - [ 0.0011351600000000, 0.0001608800000000, 0.0000825400000000 ] - [ 0.0006771600000000, 0.0001153400000000, 0.0001140500000000 ] - [ 0.0001615000000000, -0.0001714400000000, 0.0000315700000000 ] - [ 0.0000450200000000, -0.0001790800000000, 0.0004211700000000 ] - [ 0.0000153700000000, 0.0000177400000000, 0.0001296000000000 ] - [ 0.0002115900000000, -0.0000032600000000, 0.0000534500000000 ] - [ -0.0002390500000000, 0.0000929200000000, -0.0013344700000000 ] - [ 0.0002051700000000, -0.0001294600000000, 0.0000885700000000 ] - [ 0.0002451200000000, -0.0000452900000000, 0.0001596700000000 ] - [ 0.0000744600000000, 0.0000560800000000, 0.0000818000000000 ] - [ 0.0001975500000000, 0.0001120100000000, 0.0000302000000000 ] - [ 0.0006383600000000, 0.0000047100000000, -0.0000065900000000 ] - [ -0.0000568500000000, -0.0001214600000000, -0.0000023000000000 ] - [ 0.0002406000000000, -0.0000643300000000, 0.0001956900000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010564100000000, 0.0003540700000000, -0.0018020400000000 ] - [ -0.0052090700000000, 0.0014029400000000, -0.0037439800000000 ] - [ -0.0010701800000000, -0.0000138000000000, -0.0000072900000000 ] - [ 0.0029337000000000, 0.0006740900000000, -0.0013261200000000 ] - [ 0.0028649900000000, -0.0006875500000000, 0.0013658500000000 ] - [ 0.0107695500000000, 0.0017299600000000, 0.0015412300000000 ] - [ -0.0028812700000000, 0.0003386800000000, -0.0005050300000000 ] - [ 0.0102677600000000, -0.0013804200000000, -0.0017789300000000 ] - [ 0.0147306600000000, -0.0000847700000000, 0.0001934100000000 ] - [ 0.0059239000000000, 0.0000918900000000, 0.0001664900000000 ] - [ 0.0008209000000000, -0.0004251000000000, 0.0020395800000000 ] - [ -0.0049663200000000, -0.0013025300000000, 0.0039527500000000 ] - [ -0.0017500400000000, 0.0000188600000000, -0.0000732900000000 ] - [ -0.0017275100000000, 0.0000429400000000, -0.0000899000000000 ] - [ -0.0028904900000000, -0.0003411300000000, 0.0001449500000000 ] - [ -0.0019414700000000, -0.0001975000000000, 0.0002503500000000 ] - [ -0.0020020400000000, 0.0001818700000000, -0.0002166000000000 ] - [ -0.0017155900000000, 0.0001717400000000, 0.0002608700000000 ] - [ -0.0010648800000000, 0.0000138800000000, -0.0003514700000000 ] - [ -0.0017745000000000, -0.0001571300000000, -0.0002262300000000 ] - [ -0.0018706100000000, -0.0000852500000000, 0.0001827100000000 ] - [ -0.0018359400000000, 0.0000856200000000, 0.0001863000000000 ] - [ -0.0019950500000000, -0.0000893900000000, 0.0003070200000000 ] - [ -0.0014856200000000, 0.0000245600000000, 0.0003180500000000 ] - [ 0.0503503200000000, 0.0004432700000000, -0.0001604400000000 ] - [ -0.0005160400000000, -0.0000053600000000, -0.0045441100000000 ] - [ -0.0008452700000000, 0.0002871500000000, 0.0014542500000000 ] - [ -0.0009150400000000, -0.0003811300000000, -0.0014909900000000 ] - [ -0.0005898600000000, 0.0001036500000000, 0.0045313700000000 ] - [ -0.0022464500000000, 0.0004740800000000, 0.0010155800000000 ] - [ -0.0025331200000000, 0.0003440800000000, -0.0016774200000000 ] - [ 0.0042356000000000, 0.0001017400000000, -0.0001467200000000 ] - [ -0.0020283600000000, -0.0001033800000000, -0.0001505300000000 ] - [ -0.0019701100000000, 0.0000129800000000, -0.0003326800000000 ] - [ -0.0021425700000000, 0.0000432900000000, 0.0000618500000000 ] - [ -0.0022243300000000, -0.0001377600000000, -0.0001046500000000 ] - [ -0.0020554300000000, 0.0000791000000000, 0.0002933700000000 ] - [ -0.0025356100000000, -0.0003419600000000, 0.0012459200000000 ] - [ -0.0022435000000000, -0.0004723500000000, -0.0014420700000000 ] - [ -0.0021815500000000, 0.0001024200000000, -0.0001515900000000 ] - [ -0.0001633500000000, 0.0005416300000000, -0.0008593000000000 ] - [ 0.0000986800000000, -0.0000294400000000, 0.0012357900000000 ] - [ 0.0023099500000000, 0.0017058700000000, -0.0030250600000000 ] - [ -0.0137610800000000, 0.0001345900000000, 0.0002802600000000 ] - [ 0.0000399100000000, -0.0002172400000000, 0.0006554500000000 ] - [ 0.0008898600000000, -0.0001401800000000, -0.0006085000000000 ] - [ 0.0019578000000000, -0.0007230900000000, 0.0005278500000000 ] - [ -0.0031781300000000, 0.0001600200000000, 0.0006446600000000 ] - [ -0.0044349800000000, -0.0137795400000000, 0.0052355100000000 ] - [ -0.0029721300000000, -0.0001592800000000, -0.0005935900000000 ] - [ 0.0015986200000000, 0.0002584400000000, -0.0019989500000000 ] - [ -0.0667624400000000, -0.0008509200000000, 0.0004213400000000 ] - [ 0.0006793500000000, 0.0000714800000000, 0.0004207400000000 ] - [ -0.0045876200000000, 0.0137429200000000, -0.0051127900000000 ] - [ 0.0006355600000000, 0.0001957600000000, 0.0006879600000000 ] - [ -0.0005267500000000, 0.0008562700000000, 0.0039688700000000 ] - [ 0.0040700800000000, 0.0007178300000000, 0.0024474700000000 ] - [ 0.0043174300000000, -0.0010505700000000, -0.0026650600000000 ] - [ -0.0012183200000000, -0.0010992200000000, -0.0040140500000000 ] - [ -0.0013981000000000, 0.0010154100000000, 0.0041904100000000 ] - [ 0.0004849100000000, 0.0001300300000000, -0.0008549700000000 ] - [ -0.0025535900000000, -0.0001096900000000, 0.0001928400000000 ] - [ -0.0027902500000000, -0.0000669000000000, 0.0002429100000000 ] - [ -0.0007059100000000, -0.0007742200000000, -0.0037710700000000 ] - [ 0.0020765200000000, -0.0014481500000000, 0.0030081100000000 ] - [ 0.0018422500000000, -0.0003087600000000, 0.0020685700000000 ] - [ -0.0001118700000000, -0.0002182600000000, -0.0012374200000000 ] - [ 0.0021530400000000, 0.0005229800000000, -0.0009581300000000 ] - [ 0.0012789100000000, 0.0002088700000000, -0.0001856500000000 ] - [ 0.0013692500000000, -0.0001415600000000, 0.0000298200000000 ] - [ 0.0011744200000000, 0.0001907900000000, -0.0002174500000000 ] - [ 0.0012565300000000, 0.0000645600000000, 0.0002547500000000 ] - [ 0.0014872000000000, 0.0001151500000000, -0.0000155100000000 ] - [ 0.0016691600000000, 0.0000141400000000, 0.0001221300000000 ] - [ 0.0010271700000000, -0.0003945600000000, 0.0001057800000000 ] - [ 0.0016327900000000, -0.0000446500000000, -0.0001463700000000 ] - [ 0.0017274800000000, -0.0000370400000000, 0.0002349200000000 ] - [ 0.0018527300000000, 0.0000444400000000, 0.0002021100000000 ] - [ 0.0014448700000000, -0.0001141400000000, -0.0008745900000000 ] - [ 0.0011765000000000, 0.0001114200000000, 0.0001938600000000 ] - [ 0.0017353800000000, -0.0003871600000000, 0.0001940700000000 ] - [ 0.0015092800000000, 0.0000374000000000, -0.0001778000000000 ] - [ 0.0014204200000000, 0.0000427400000000, -0.0000429900000000 ] - [ 0.0017038500000000, 0.0001406100000000, 0.0003738900000000 ] - [ 0.0009345200000000, -0.0001162900000000, -0.0000557900000000 ] - [ 0.0011442200000000, -0.0002076100000000, -0.0001452600000000 ] - [ 0.0016148000000000, -0.0000803600000000, 0.0001984900000000 ] - [ 0.0014175000000000, -0.0000000800000000, -0.0000103900000000 ] - [ 0.0015412900000000, 0.0005893900000000, -0.0006278200000000 ] - [ 0.0012685100000000, -0.0001102000000000, 0.0001928100000000 ] - [ 0.0013608400000000, -0.0000633500000000, 0.0002527800000000 ] - [ 0.0015054600000000, -0.0000582100000000, -0.0001785900000000 ] - [ 0.0009539800000000, 0.0000540600000000, 0.0002151400000000 ] - [ 0.0016884000000000, 0.0000620900000000, 0.0009515300000000 ] - [ 0.0011507100000000, -0.0001053600000000, -0.0000284900000000 ] - [ 0.0012184300000000, 0.0001908100000000, -0.0005350700000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000211500000000, 0.0000243500000000, 0.0004797100000000 ] - [ 0.0024170800000000, 0.0019168100000000, 0.0007544000000000 ] - [ -0.0000700200000000, 0.0000264900000000, 0.0000173600000000 ] - [ -0.0001504400000000, 0.0000279800000000, 0.0002789700000000 ] - [ 0.0001504400000000, 0.0000279800000000, 0.0002789700000000 ] - [ 0.0026142300000000, 0.0014243500000000, -0.0013062500000000 ] - [ 0.0002426200000000, 0.0000429500000000, -0.0005022000000000 ] - [ -0.0026142300000000, 0.0014243500000000, -0.0013062500000000 ] - [ 0.0000000000000000, -0.0002509400000000, -0.0004341000000000 ] - [ 0.0000000000000000, 0.0017191900000000, -0.0020086700000000 ] - [ 0.0000211500000000, 0.0000243500000000, 0.0004797100000000 ] - [ -0.0024170800000000, 0.0019168100000000, 0.0007544000000000 ] - [ 0.0001882500000000, -0.0000315000000000, 0.0000924700000000 ] - [ -0.0000646800000000, 0.0000298600000000, 0.0001482800000000 ] - [ -0.0002426200000000, 0.0000429500000000, -0.0005022000000000 ] - [ 0.0000347400000000, -0.0000055900000000, -0.0000206100000000 ] - [ -0.0000347400000000, -0.0000055900000000, -0.0000206100000000 ] - [ 0.0000257700000000, 0.0000109300000000, 0.0000498800000000 ] - [ 0.0000700200000000, 0.0000264900000000, 0.0000173600000000 ] - [ -0.0000257700000000, 0.0000109300000000, 0.0000498800000000 ] - [ 0.0000000000000000, -0.0000894200000000, 0.0001911400000000 ] - [ 0.0000000000000000, 0.0000824200000000, 0.0001809800000000 ] - [ -0.0001882500000000, -0.0000315000000000, 0.0000924700000000 ] - [ 0.0000646800000000, 0.0000298600000000, 0.0001482800000000 ] - [ 0.0000000000000000, 0.2178005400000000, -0.0006536000000000 ] - [ -0.0007073600000000, -0.0006470400000000, -0.0005577300000000 ] - [ 0.0003423100000000, -0.0006357300000000, 0.0002874000000000 ] - [ -0.0003423100000000, -0.0006357300000000, 0.0002874000000000 ] - [ 0.0007073600000000, -0.0006470400000000, -0.0005577300000000 ] - [ -0.0002760200000000, 0.0000079300000000, 0.0000397500000000 ] - [ 0.0002731600000000, -0.0001231900000000, -0.0001557800000000 ] - [ 0.0000000000000000, 0.0005249400000000, -0.0010262000000000 ] - [ 0.0000000000000000, -0.0001135600000000, -0.0001178800000000 ] - [ 0.0001232500000000, 0.0000355100000000, 0.0000652100000000 ] - [ -0.0000526600000000, -0.0000514000000000, -0.0001185600000000 ] - [ 0.0000526600000000, -0.0000514000000000, -0.0001185600000000 ] - [ -0.0001232500000000, 0.0000355100000000, 0.0000652100000000 ] - [ -0.0002731600000000, -0.0001231900000000, -0.0001557800000000 ] - [ 0.0002760200000000, 0.0000079300000000, 0.0000397500000000 ] - [ 0.0000000000000000, 0.0000982600000000, -0.0001822400000000 ] - [ -0.0002140400000000, 0.0002465800000000, -0.0001756100000000 ] - [ -0.0000536400000000, 0.0000117700000000, -0.0004354900000000 ] - [ 0.0013712500000000, 0.0020562400000000, -0.0012503100000000 ] - [ 0.0000000000000000, 0.0270652300000000, 0.0091329400000000 ] - [ 0.0002140400000000, 0.0002465800000000, -0.0001756100000000 ] - [ 0.0001499900000000, -0.0000563500000000, -0.0001289600000000 ] - [ -0.0005665400000000, 0.0001410600000000, 0.0000202400000000 ] - [ -0.0000717300000000, 0.0000524200000000, 0.0004807200000000 ] - [ -0.0083099400000000, 0.0275365500000000, -0.0037718900000000 ] - [ 0.0000717300000000, 0.0000524200000000, 0.0004807200000000 ] - [ 0.0000942500000000, 0.0002765400000000, -0.0000971300000000 ] - [ 0.0000000000000000, -0.3079873600000000, 0.0029138300000000 ] - [ 0.0000401200000000, 0.0001063900000000, -0.0004451000000000 ] - [ 0.0083099400000000, 0.0275365500000000, -0.0037718900000000 ] - [ -0.0001499900000000, -0.0000563500000000, -0.0001289600000000 ] - [ 0.0009667800000000, -0.0002956100000000, 0.0004521200000000 ] - [ -0.0002149300000000, -0.0011976700000000, 0.0004575500000000 ] - [ 0.0002149300000000, -0.0011976700000000, 0.0004575500000000 ] - [ -0.0001706000000000, -0.0008596800000000, -0.0001686000000000 ] - [ 0.0001706000000000, -0.0008596800000000, -0.0001686000000000 ] - [ -0.0000401200000000, 0.0001063900000000, -0.0004451000000000 ] - [ 0.0000000000000000, -0.0002500400000000, 0.0004748000000000 ] - [ 0.0000000000000000, 0.0011333400000000, 0.0023953300000000 ] - [ -0.0009667800000000, -0.0002956100000000, 0.0004521200000000 ] - [ -0.0013712500000000, 0.0020562400000000, -0.0012503100000000 ] - [ -0.0000942500000000, 0.0002765400000000, -0.0000971300000000 ] - [ 0.0000536400000000, 0.0000117700000000, -0.0004354900000000 ] - [ 0.0005665400000000, 0.0001410600000000, 0.0000202400000000 ] - [ -0.0001019800000000, 0.0001533300000000, -0.0000213500000000 ] - [ 0.0000671400000000, -0.0001171800000000, 0.0000352100000000 ] - [ 0.0001401700000000, 0.0001302800000000, -0.0000311400000000 ] - [ 0.0000000000000000, 0.0000623500000000, 0.0002373100000000 ] - [ 0.0001019800000000, 0.0001533300000000, -0.0000213500000000 ] - [ 0.0002665400000000, 0.0000270400000000, 0.0000484400000000 ] - [ -0.0001549600000000, -0.0000960800000000, -0.0003052600000000 ] - [ -0.0001225900000000, -0.0000019000000000, 0.0000445500000000 ] - [ 0.0000938500000000, -0.0000014100000000, 0.0000051900000000 ] - [ 0.0001225900000000, -0.0000019000000000, 0.0000445500000000 ] - [ -0.0000073800000000, -0.0000277700000000, -0.0000332400000000 ] - [ 0.0000000000000000, 0.0001160800000000, 0.0001782000000000 ] - [ -0.0000030100000000, 0.0001667500000000, -0.0001457800000000 ] - [ -0.0000938500000000, -0.0000014100000000, 0.0000051900000000 ] - [ -0.0002665400000000, 0.0000270400000000, 0.0000484400000000 ] - [ 0.0000666900000000, 0.0000353100000000, 0.0001151300000000 ] - [ -0.0001101400000000, -0.0001666300000000, -0.0001640400000000 ] - [ 0.0001101400000000, -0.0001666300000000, -0.0001640400000000 ] - [ 0.0001322600000000, -0.0000428300000000, 0.0000784000000000 ] - [ -0.0001322600000000, -0.0000428300000000, 0.0000784000000000 ] - [ 0.0000030100000000, 0.0001667500000000, -0.0001457800000000 ] - [ 0.0000000000000000, -0.0001068600000000, 0.0002079300000000 ] - [ 0.0000000000000000, -0.0000638900000000, 0.0002782800000000 ] - [ -0.0000666900000000, 0.0000353100000000, 0.0001151300000000 ] - [ -0.0001401700000000, 0.0001302800000000, -0.0000311400000000 ] - [ 0.0000073800000000, -0.0000277700000000, -0.0000332400000000 ] - [ -0.0000671400000000, -0.0001171800000000, 0.0000352100000000 ] - [ 0.0001549600000000, -0.0000960800000000, -0.0003052600000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002625100000000, -0.0000868500000000, -0.0002539300000000 ] - [ -0.0026500800000000, -0.0018832900000000, -0.0005210600000000 ] - [ 0.0000696200000000, -0.0000266900000000, -0.0003713000000000 ] - [ 0.0002092700000000, -0.0000478900000000, -0.0002449600000000 ] - [ -0.0002092700000000, -0.0000478900000000, -0.0002449600000000 ] - [ -0.0023292000000000, -0.0012234700000000, 0.0012172200000000 ] - [ -0.0002406400000000, -0.0000394200000000, 0.0001525700000000 ] - [ 0.0023292000000000, -0.0012234700000000, 0.0012172200000000 ] - [ 0.0000000000000000, 0.0002221700000000, 0.0009767600000000 ] - [ 0.0000000000000000, -0.0015760200000000, 0.0023689400000000 ] - [ -0.0002625100000000, -0.0000868500000000, -0.0002539300000000 ] - [ 0.0026500800000000, -0.0018832900000000, -0.0005210600000000 ] - [ 0.0000525100000000, -0.0000339800000000, 0.0001390900000000 ] - [ -0.0001754100000000, 0.0000340200000000, 0.0000756300000000 ] - [ 0.0002406400000000, -0.0000394200000000, 0.0001525700000000 ] - [ 0.0000259200000000, -0.0000092700000000, 0.0000539600000000 ] - [ -0.0000259200000000, -0.0000092700000000, 0.0000539600000000 ] - [ 0.0000354600000000, 0.0000045700000000, -0.0000169000000000 ] - [ -0.0000696200000000, -0.0000266900000000, -0.0003713000000000 ] - [ -0.0000354600000000, 0.0000045700000000, -0.0000169000000000 ] - [ 0.0000000000000000, -0.0000804300000000, 0.0001747600000000 ] - [ 0.0000000000000000, 0.0000893000000000, 0.0001927100000000 ] - [ -0.0000525100000000, -0.0000339800000000, 0.0001390900000000 ] - [ 0.0001754100000000, 0.0000340200000000, 0.0000756300000000 ] - [ 0.0000000000000000, -0.2346379600000000, 0.0002567200000000 ] - [ 0.0007895000000000, 0.0007280400000000, 0.0005156700000000 ] - [ -0.0002639200000000, 0.0005494100000000, -0.0003256200000000 ] - [ 0.0002639200000000, 0.0005494100000000, -0.0003256200000000 ] - [ -0.0007895000000000, 0.0007280400000000, 0.0005156700000000 ] - [ 0.0002767600000000, -0.0000104300000000, -0.0004817600000000 ] - [ -0.0002752900000000, 0.0001269300000000, -0.0002800500000000 ] - [ 0.0000000000000000, -0.0003089700000000, 0.0007199300000000 ] - [ 0.0000000000000000, -0.0000972300000000, -0.0001832000000000 ] - [ -0.0000364500000000, 0.0000570900000000, -0.0001032700000000 ] - [ 0.0001386200000000, -0.0000438400000000, 0.0000801900000000 ] - [ -0.0001386200000000, -0.0000438400000000, 0.0000801900000000 ] - [ 0.0000364500000000, 0.0000570900000000, -0.0001032700000000 ] - [ 0.0002752900000000, 0.0001269300000000, -0.0002800500000000 ] - [ -0.0002767600000000, -0.0000104300000000, -0.0004817600000000 ] - [ 0.0000000000000000, 0.0001100400000000, -0.0001184800000000 ] - [ 0.0000107200000000, 0.0000758800000000, -0.0000248500000000 ] - [ 0.0002735900000000, -0.0002592600000000, 0.0004404800000000 ] - [ -0.0011439400000000, -0.0017989500000000, 0.0012486200000000 ] - [ 0.0000000000000000, -0.0270655000000000, -0.0088519600000000 ] - [ -0.0000107200000000, 0.0000758800000000, -0.0000248500000000 ] - [ 0.0000994300000000, 0.0001143900000000, 0.0002046700000000 ] - [ 0.0003806100000000, -0.0003475600000000, -0.0004605300000000 ] - [ -0.0001458300000000, -0.0000515700000000, -0.0004299100000000 ] - [ 0.0087371200000000, -0.0276799600000000, 0.0039429900000000 ] - [ 0.0001458300000000, -0.0000515700000000, -0.0004299100000000 ] - [ -0.0003441300000000, -0.0003282900000000, 0.0001779000000000 ] - [ 0.0000000000000000, 0.3248090000000000, -0.0023530600000000 ] - [ 0.0001513100000000, 0.0000989100000000, 0.0000113600000000 ] - [ -0.0087371200000000, -0.0276799600000000, 0.0039429900000000 ] - [ -0.0000994300000000, 0.0001143900000000, 0.0002046700000000 ] - [ -0.0007784900000000, 0.0003636000000000, -0.0002803700000000 ] - [ 0.0000256400000000, 0.0008728400000000, -0.0006479000000000 ] - [ -0.0000256400000000, 0.0008728400000000, -0.0006479000000000 ] - [ 0.0003563600000000, 0.0007794900000000, 0.0003779300000000 ] - [ -0.0003563600000000, 0.0007794900000000, 0.0003779300000000 ] - [ -0.0001513100000000, 0.0000989100000000, 0.0000113600000000 ] - [ 0.0000000000000000, 0.0000275500000000, -0.0000892100000000 ] - [ 0.0000000000000000, -0.0012519500000000, -0.0018762900000000 ] - [ 0.0007784900000000, 0.0003636000000000, -0.0002803700000000 ] - [ 0.0011439400000000, -0.0017989500000000, 0.0012486200000000 ] - [ 0.0003441300000000, -0.0003282900000000, 0.0001779000000000 ] - [ -0.0002735900000000, -0.0002592600000000, 0.0004404800000000 ] - [ -0.0003806100000000, -0.0003475600000000, -0.0004605300000000 ] - [ -0.0001050900000000, 0.0001701000000000, -0.0001800400000000 ] - [ 0.0001538200000000, -0.0001292400000000, -0.0000322400000000 ] - [ 0.0000805900000000, 0.0001134100000000, 0.0000315100000000 ] - [ 0.0000000000000000, 0.0000659100000000, 0.0002762500000000 ] - [ 0.0001050900000000, 0.0001701000000000, -0.0001800400000000 ] - [ -0.0000188200000000, 0.0000313500000000, 0.0000307600000000 ] - [ -0.0000349600000000, -0.0001096200000000, -0.0001251900000000 ] - [ -0.0000954800000000, 0.0000023100000000, 0.0000063800000000 ] - [ 0.0001222200000000, 0.0000013200000000, 0.0000491100000000 ] - [ 0.0000954800000000, 0.0000023100000000, 0.0000063800000000 ] - [ -0.0002385200000000, -0.0000267100000000, 0.0001078500000000 ] - [ 0.0000000000000000, 0.0001083900000000, 0.0002106100000000 ] - [ 0.0001950400000000, 0.0000377700000000, -0.0002955400000000 ] - [ -0.0001222200000000, 0.0000013200000000, 0.0000491100000000 ] - [ 0.0000188200000000, 0.0000313500000000, 0.0000307600000000 ] - [ 0.0001369600000000, 0.0000478400000000, 0.0000797600000000 ] - [ -0.0000976400000000, -0.0001545400000000, -0.0000326300000000 ] - [ 0.0000976400000000, -0.0001545400000000, -0.0000326300000000 ] - [ 0.0000682400000000, -0.0000374900000000, 0.0001088900000000 ] - [ -0.0000682400000000, -0.0000374900000000, 0.0001088900000000 ] - [ -0.0001950400000000, 0.0000377700000000, -0.0002955400000000 ] - [ 0.0000000000000000, -0.0001143000000000, 0.0001754900000000 ] - [ 0.0000000000000000, -0.0000619200000000, 0.0002310500000000 ] - [ -0.0001369600000000, 0.0000478400000000, 0.0000797600000000 ] - [ -0.0000805900000000, 0.0001134100000000, 0.0000315100000000 ] - [ 0.0002385200000000, -0.0000267100000000, 0.0001078500000000 ] - [ -0.0001538200000000, -0.0001292400000000, -0.0000322400000000 ] - [ 0.0000349600000000, -0.0001096200000000, -0.0001251900000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007746200000000, 0.0003620500000000, -0.0025519300000000 ] - [ -0.0045510600000000, 0.0004735200000000, 0.0018697400000000 ] - [ 0.0007552800000000, 0.0000931900000000, -0.0010398400000000 ] - [ -0.0005239900000000, 0.0003404500000000, -0.0031198900000000 ] - [ 0.0005239900000000, 0.0003404500000000, -0.0031198900000000 ] - [ 0.0015244500000000, -0.0009668100000000, 0.0105309400000000 ] - [ -0.0009468000000000, 0.0000902500000000, 0.0008167000000000 ] - [ -0.0015244500000000, -0.0009668100000000, 0.0105309400000000 ] - [ 0.0000000000000000, -0.0008063000000000, 0.0013418900000000 ] - [ 0.0000000000000000, -0.0011790600000000, -0.0085555100000000 ] - [ 0.0007746200000000, 0.0003620500000000, -0.0025519300000000 ] - [ 0.0045510600000000, 0.0004735200000000, 0.0018697400000000 ] - [ -0.0000971200000000, -0.0000254600000000, 0.0003328000000000 ] - [ -0.0002957900000000, 0.0000251800000000, -0.0001271500000000 ] - [ 0.0009468000000000, 0.0000902500000000, 0.0008167000000000 ] - [ -0.0000201400000000, -0.0000209500000000, 0.0001582400000000 ] - [ 0.0000201400000000, -0.0000209500000000, 0.0001582400000000 ] - [ 0.0000974000000000, -0.0000064600000000, -0.0001236500000000 ] - [ -0.0007552800000000, 0.0000931900000000, -0.0010398400000000 ] - [ -0.0000974000000000, -0.0000064600000000, -0.0001236500000000 ] - [ 0.0000000000000000, -0.0000621600000000, 0.0001144400000000 ] - [ 0.0000000000000000, 0.0001008200000000, 0.0002573100000000 ] - [ 0.0000971200000000, -0.0000254600000000, 0.0003328000000000 ] - [ 0.0002957900000000, 0.0000251800000000, -0.0001271500000000 ] - [ 0.0000000000000000, 0.0022772200000000, 0.0478326800000000 ] - [ -0.0043340200000000, -0.0002281900000000, 0.0018411300000000 ] - [ 0.0040577700000000, -0.0010778600000000, -0.0022544100000000 ] - [ -0.0040577700000000, -0.0010778600000000, -0.0022544100000000 ] - [ 0.0043340200000000, -0.0002281900000000, 0.0018411300000000 ] - [ 0.0010237400000000, -0.0003545300000000, -0.0015072300000000 ] - [ -0.0011117500000000, -0.0002513900000000, 0.0008319300000000 ] - [ 0.0000000000000000, 0.0008405300000000, -0.0057061400000000 ] - [ 0.0000000000000000, -0.0000524700000000, -0.0002990400000000 ] - [ -0.0003579200000000, 0.0000387800000000, -0.0002935600000000 ] - [ 0.0004214100000000, -0.0000596700000000, 0.0002477300000000 ] - [ -0.0004214100000000, -0.0000596700000000, 0.0002477300000000 ] - [ 0.0003579200000000, 0.0000387800000000, -0.0002935600000000 ] - [ 0.0011117500000000, -0.0002513900000000, 0.0008319300000000 ] - [ -0.0010237400000000, -0.0003545300000000, -0.0015072300000000 ] - [ 0.0000000000000000, 0.0001123100000000, -0.0000207300000000 ] - [ -0.0011861500000000, 0.0001772500000000, 0.0023079600000000 ] - [ 0.0013670500000000, 0.0002844700000000, 0.0007108500000000 ] - [ -0.0021593800000000, -0.0004076700000000, 0.0006626500000000 ] - [ 0.0000000000000000, 0.0141809000000000, 0.0004838300000000 ] - [ 0.0011861500000000, 0.0001772500000000, 0.0023079600000000 ] - [ -0.0016371400000000, 0.0002603400000000, -0.0003706200000000 ] - [ 0.0006769300000000, -0.0004946700000000, -0.0013557000000000 ] - [ -0.0005123800000000, 0.0002378900000000, 0.0032971000000000 ] - [ 0.0062609300000000, -0.0085359900000000, -0.0094079100000000 ] - [ 0.0005123800000000, 0.0002378900000000, 0.0032971000000000 ] - [ -0.0019847000000000, -0.0002158300000000, 0.0006679100000000 ] - [ 0.0000000000000000, 0.0018729300000000, -0.0598774500000000 ] - [ 0.0004490900000000, -0.0000591600000000, 0.0008573500000000 ] - [ -0.0062609300000000, -0.0085359900000000, -0.0094079100000000 ] - [ 0.0016371400000000, 0.0002603400000000, -0.0003706200000000 ] - [ 0.0051264100000000, 0.0002423200000000, 0.0040788400000000 ] - [ 0.0014414800000000, 0.0006470100000000, -0.0027479000000000 ] - [ -0.0014414800000000, 0.0006470100000000, -0.0027479000000000 ] - [ -0.0046138200000000, 0.0005506700000000, 0.0026644100000000 ] - [ 0.0046138200000000, 0.0005506700000000, 0.0026644100000000 ] - [ -0.0004490900000000, -0.0000591600000000, 0.0008573500000000 ] - [ 0.0000000000000000, -0.0003751800000000, 0.0030092800000000 ] - [ 0.0000000000000000, 0.0007997100000000, 0.0070848800000000 ] - [ -0.0051264100000000, 0.0002423200000000, 0.0040788400000000 ] - [ 0.0021593800000000, -0.0004076700000000, 0.0006626500000000 ] - [ 0.0019847000000000, -0.0002158300000000, 0.0006679100000000 ] - [ -0.0013670500000000, 0.0002844700000000, 0.0007108500000000 ] - [ -0.0006769300000000, -0.0004946700000000, -0.0013557000000000 ] - [ -0.0002050900000000, 0.0001624400000000, -0.0003632100000000 ] - [ 0.0003401800000000, -0.0001499700000000, -0.0000860100000000 ] - [ -0.0000959500000000, 0.0001190100000000, 0.0000768800000000 ] - [ 0.0000000000000000, 0.0000722800000000, 0.0003063300000000 ] - [ 0.0002050900000000, 0.0001624400000000, -0.0003632100000000 ] - [ -0.0004107000000000, 0.0001397500000000, 0.0001033200000000 ] - [ 0.0000832500000000, -0.0001504000000000, 0.0003640900000000 ] - [ -0.0000683300000000, 0.0000034600000000, -0.0000569000000000 ] - [ 0.0001604500000000, -0.0000012300000000, 0.0001536300000000 ] - [ 0.0000683300000000, 0.0000034600000000, -0.0000569000000000 ] - [ -0.0005910200000000, 0.0000175200000000, 0.0000502400000000 ] - [ 0.0000000000000000, 0.0000769000000000, 0.0002762800000000 ] - [ 0.0003422700000000, -0.0000206000000000, -0.0008098500000000 ] - [ -0.0001604500000000, -0.0000012300000000, 0.0001536300000000 ] - [ 0.0004107000000000, 0.0001397500000000, 0.0001033200000000 ] - [ 0.0002283000000000, 0.0000699500000000, 0.0000744800000000 ] - [ -0.0000240200000000, -0.0001531300000000, 0.0001585800000000 ] - [ 0.0000240200000000, -0.0001531300000000, 0.0001585800000000 ] - [ -0.0000702500000000, -0.0000070700000000, 0.0001031200000000 ] - [ 0.0000702500000000, -0.0000070700000000, 0.0001031200000000 ] - [ -0.0003422700000000, -0.0000206000000000, -0.0008098500000000 ] - [ 0.0000000000000000, -0.0001095300000000, 0.0001171000000000 ] - [ 0.0000000000000000, -0.0000458700000000, 0.0001451300000000 ] - [ -0.0002283000000000, 0.0000699500000000, 0.0000744800000000 ] - [ 0.0000959500000000, 0.0001190100000000, 0.0000768800000000 ] - [ 0.0005910200000000, 0.0000175200000000, 0.0000502400000000 ] - [ -0.0003401800000000, -0.0001499700000000, -0.0000860100000000 ] - [ -0.0000832500000000, -0.0001504000000000, 0.0003640900000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010111400000000, -0.0004240200000000, 0.0027689200000000 ] - [ 0.0043390100000000, -0.0004014200000000, -0.0016180200000000 ] - [ -0.0007513200000000, -0.0000928500000000, 0.0006824400000000 ] - [ 0.0005817500000000, -0.0003550100000000, 0.0031464700000000 ] - [ -0.0005817500000000, -0.0003550100000000, 0.0031464700000000 ] - [ -0.0013210800000000, 0.0010688000000000, -0.0105425700000000 ] - [ 0.0009432000000000, -0.0000890700000000, -0.0011733400000000 ] - [ 0.0013210800000000, 0.0010688000000000, -0.0105425700000000 ] - [ 0.0000000000000000, 0.0009311400000000, -0.0004591100000000 ] - [ 0.0000000000000000, 0.0013740900000000, 0.0089359500000000 ] - [ -0.0010111400000000, -0.0004240200000000, 0.0027689200000000 ] - [ -0.0043390100000000, -0.0004014200000000, -0.0016180200000000 ] - [ 0.0003278700000000, -0.0000340900000000, -0.0001045300000000 ] - [ 0.0000670900000000, 0.0000322300000000, 0.0003476100000000 ] - [ -0.0009432000000000, -0.0000890700000000, -0.0011733400000000 ] - [ 0.0000879600000000, 0.0000055200000000, -0.0001252600000000 ] - [ -0.0000879600000000, 0.0000055200000000, -0.0001252600000000 ] - [ -0.0000279200000000, 0.0000210800000000, 0.0001556900000000 ] - [ 0.0007513200000000, -0.0000928500000000, 0.0006824400000000 ] - [ 0.0000279200000000, 0.0000210800000000, 0.0001556900000000 ] - [ 0.0000000000000000, -0.0001046800000000, 0.0002548200000000 ] - [ 0.0000000000000000, 0.0000667400000000, 0.0001172900000000 ] - [ -0.0003278700000000, -0.0000340900000000, -0.0001045300000000 ] - [ -0.0000670900000000, 0.0000322300000000, 0.0003476100000000 ] - [ 0.0000000000000000, -0.0013403200000000, -0.0481002100000000 ] - [ 0.0044121600000000, 0.0003298500000000, -0.0019147900000000 ] - [ -0.0039744100000000, 0.0009784500000000, 0.0022085000000000 ] - [ 0.0039744100000000, 0.0009784500000000, 0.0022085000000000 ] - [ -0.0044121600000000, 0.0003298500000000, -0.0019147900000000 ] - [ -0.0010246200000000, 0.0003537400000000, 0.0011018600000000 ] - [ 0.0011113500000000, 0.0002483200000000, -0.0012178500000000 ] - [ 0.0000000000000000, -0.0006472200000000, 0.0053722400000000 ] - [ 0.0000000000000000, -0.0001336800000000, -0.0000124700000000 ] - [ 0.0004226200000000, 0.0000508600000000, 0.0002469200000000 ] - [ -0.0003564000000000, -0.0000334500000000, -0.0002973100000000 ] - [ 0.0003564000000000, -0.0000334500000000, -0.0002973100000000 ] - [ -0.0004226200000000, 0.0000508600000000, 0.0002469200000000 ] - [ -0.0011113500000000, 0.0002483200000000, -0.0012178500000000 ] - [ 0.0010246200000000, 0.0003537400000000, 0.0011018600000000 ] - [ 0.0000000000000000, 0.0000733800000000, -0.0002901600000000 ] - [ 0.0009599900000000, 0.0001447100000000, -0.0024967400000000 ] - [ -0.0011366200000000, -0.0005410100000000, -0.0007212900000000 ] - [ 0.0023800300000000, 0.0006596600000000, -0.0006571000000000 ] - [ 0.0000000000000000, -0.0141462700000000, 0.0000040300000000 ] - [ -0.0009599900000000, 0.0001447100000000, -0.0024967400000000 ] - [ 0.0018513500000000, -0.0001663100000000, 0.0004411400000000 ] - [ -0.0008810200000000, 0.0002993700000000, 0.0009156900000000 ] - [ 0.0002824700000000, -0.0002351800000000, -0.0032099200000000 ] - [ -0.0060301300000000, 0.0086087600000000, 0.0093959400000000 ] - [ -0.0002824700000000, -0.0002351800000000, -0.0032099200000000 ] - [ 0.0017668100000000, 0.0001249500000000, -0.0005797900000000 ] - [ 0.0000000000000000, -0.0033738800000000, 0.0598163100000000 ] - [ -0.0002520200000000, 0.0002554600000000, -0.0012848300000000 ] - [ 0.0060301300000000, 0.0086087600000000, 0.0093959400000000 ] - [ -0.0018513500000000, -0.0001663100000000, 0.0004411400000000 ] - [ -0.0049156300000000, -0.0001634700000000, -0.0038832000000000 ] - [ -0.0016480000000000, -0.0009645700000000, 0.0025680700000000 ] - [ 0.0016480000000000, -0.0009645700000000, 0.0025680700000000 ] - [ 0.0048214900000000, -0.0006352000000000, -0.0024869700000000 ] - [ -0.0048214900000000, -0.0006352000000000, -0.0024869700000000 ] - [ 0.0002520200000000, 0.0002554600000000, -0.0012848300000000 ] - [ 0.0000000000000000, 0.0001694200000000, -0.0026094400000000 ] - [ 0.0000000000000000, -0.0009121300000000, -0.0065608100000000 ] - [ 0.0049156300000000, -0.0001634700000000, -0.0038832000000000 ] - [ -0.0023800300000000, 0.0006596600000000, -0.0006571000000000 ] - [ -0.0017668100000000, 0.0001249500000000, -0.0005797900000000 ] - [ 0.0011366200000000, -0.0005410100000000, -0.0007212900000000 ] - [ 0.0008810200000000, 0.0002993700000000, 0.0009156900000000 ] - [ -0.0000154700000000, 0.0001586700000000, 0.0001671700000000 ] - [ -0.0001144100000000, -0.0001120500000000, 0.0000820300000000 ] - [ 0.0003209800000000, 0.0001408800000000, -0.0000831600000000 ] - [ 0.0000000000000000, 0.0000525300000000, 0.0001768300000000 ] - [ 0.0000154700000000, 0.0001586700000000, 0.0001671700000000 ] - [ 0.0006331800000000, -0.0000453600000000, -0.0000203700000000 ] - [ -0.0002838700000000, -0.0000467300000000, -0.0007907400000000 ] - [ -0.0001575800000000, -0.0000027200000000, 0.0001322100000000 ] - [ 0.0000647700000000, -0.0000014000000000, -0.0000740600000000 ] - [ 0.0001575800000000, -0.0000027200000000, 0.0001322100000000 ] - [ 0.0003697500000000, -0.0001100000000000, 0.0000258600000000 ] - [ 0.0000000000000000, 0.0001277700000000, 0.0001172200000000 ] - [ -0.0001445800000000, 0.0002181400000000, 0.0003715100000000 ] - [ -0.0000647700000000, -0.0000014000000000, -0.0000740600000000 ] - [ -0.0006331800000000, -0.0000453600000000, -0.0000203700000000 ] - [ -0.0000508800000000, 0.0000093900000000, 0.0001131600000000 ] - [ -0.0001944500000000, -0.0001673900000000, -0.0003519000000000 ] - [ 0.0001944500000000, -0.0001673900000000, -0.0003519000000000 ] - [ 0.0002458300000000, -0.0000702800000000, 0.0000797100000000 ] - [ -0.0002458300000000, -0.0000702800000000, 0.0000797100000000 ] - [ 0.0001445800000000, 0.0002181400000000, 0.0003715100000000 ] - [ 0.0000000000000000, -0.0000945500000000, 0.0002708800000000 ] - [ 0.0000000000000000, -0.0000768400000000, 0.0003322800000000 ] - [ 0.0000508800000000, 0.0000093900000000, 0.0001131600000000 ] - [ -0.0003209800000000, 0.0001408800000000, -0.0000831600000000 ] - [ -0.0003697500000000, -0.0001100000000000, 0.0000258600000000 ] - [ 0.0001144100000000, -0.0001120500000000, 0.0000820300000000 ] - [ 0.0002838700000000, -0.0000467300000000, -0.0007907400000000 ]- atom: 56 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011340900000000, 0.0001030600000000, 0.0006486000000000 ] - [ 0.0156858900000000, 0.0000091800000000, 0.0034226700000000 ] - [ -0.0026514700000000, -0.0001207100000000, 0.0001916500000000 ] - [ 0.0179790900000000, 0.0011855200000000, 0.0003289300000000 ] - [ -0.0027327000000000, -0.0003671800000000, 0.0024881200000000 ] - [ 0.0068595100000000, -0.0004987200000000, -0.0023794100000000 ] - [ -0.0021535600000000, 0.0000659500000000, -0.0005178400000000 ] - [ -0.0012260900000000, -0.0000608000000000, -0.0019450500000000 ] - [ 0.0181811400000000, -0.0056956500000000, 0.0021777800000000 ] - [ 0.0028169200000000, 0.0001358000000000, 0.0008902900000000 ] - [ 0.0050864900000000, -0.0014189400000000, -0.0036501100000000 ] - [ -0.0029224100000000, -0.0002049700000000, -0.0008055600000000 ] - [ -0.0029338100000000, 0.0002861400000000, 0.0012093100000000 ] - [ -0.0022581400000000, 0.0000699000000000, 0.0001332400000000 ] - [ 0.0011812900000000, 0.0000783300000000, 0.0022198400000000 ] - [ -0.0022802100000000, -0.0002250500000000, 0.0003215400000000 ] - [ -0.0021291200000000, 0.0001092100000000, 0.0002471600000000 ] - [ -0.0024188000000000, 0.0002437800000000, 0.0003300100000000 ] - [ -0.0033824500000000, 0.0020920300000000, -0.0044739800000000 ] - [ -0.0026797100000000, -0.0001948300000000, -0.0008888800000000 ] - [ -0.0020892200000000, -0.0000480200000000, 0.0000575500000000 ] - [ -0.0026616900000000, 0.0001100000000000, 0.0003204600000000 ] - [ -0.0024503700000000, -0.0000782500000000, 0.0000543300000000 ] - [ -0.0012374000000000, -0.0000074600000000, -0.0006177200000000 ] - [ 0.0031755400000000, -0.0022695500000000, -0.0042852700000000 ] - [ -0.0013719400000000, 0.0000791800000000, -0.0009879400000000 ] - [ -0.0047348600000000, 0.0008200600000000, 0.0014651100000000 ] - [ 0.1669137400000000, 0.0671004500000000, 0.0694010900000000 ] - [ 0.0048712000000000, 0.0000937400000000, 0.0004489900000000 ] - [ 0.0005771300000000, -0.0000396100000000, -0.0029649300000000 ] - [ -0.0070201400000000, -0.0091452300000000, 0.0110891500000000 ] - [ 0.0032891100000000, 0.0013313600000000, 0.0078249600000000 ] - [ -0.0026035100000000, -0.0000476300000000, -0.0004284400000000 ] - [ -0.0043670600000000, -0.0005571400000000, -0.0015125900000000 ] - [ -0.0011566400000000, 0.0000848300000000, 0.0007314700000000 ] - [ -0.0025551800000000, -0.0001190900000000, 0.0000552900000000 ] - [ -0.0029285700000000, 0.0001331500000000, 0.0002502100000000 ] - [ -0.0035203200000000, 0.0002991600000000, -0.0006119500000000 ] - [ -0.0027007500000000, -0.0000575600000000, 0.0000784600000000 ] - [ -0.0027676800000000, 0.0001609200000000, 0.0001157200000000 ] - [ 0.0016789000000000, 0.0000853200000000, -0.0013760300000000 ] - [ -0.0032546700000000, 0.0075431000000000, 0.0052071700000000 ] - [ -0.0027173400000000, 0.0001100600000000, 0.0005421400000000 ] - [ -0.0019402100000000, 0.0009996100000000, 0.0022590400000000 ] - [ 0.0016741000000000, 0.0020306300000000, 0.0211462100000000 ] - [ 0.0030481300000000, -0.0001354000000000, 0.0008315000000000 ] - [ -0.0001648900000000, 0.0011140100000000, -0.0041048900000000 ] - [ -0.0002905500000000, -0.0000672700000000, -0.0020673700000000 ] - [ -0.0074711800000000, -0.0009044900000000, 0.0034603100000000 ] - [ -0.0052602500000000, 0.0003537800000000, -0.0023297900000000 ] - [ -0.0022445500000000, -0.0000696500000000, 0.0014209500000000 ] - [ -0.0006032600000000, 0.0009729400000000, 0.0052138100000000 ] - [ 0.0015793500000000, -0.0003012600000000, -0.0005253500000000 ] - [ 0.0010712500000000, -0.0026713900000000, 0.0044117900000000 ] - [ 0.0365451200000000, 0.0060948600000000, -0.0053022300000000 ] - [ -0.2477353800000000, -0.0682652100000000, -0.0956623300000000 ] - [ 0.0010931000000000, -0.0003102400000000, 0.0006908400000000 ] - [ -0.0033892800000000, 0.0002809300000000, -0.0021982200000000 ] - [ -0.0041618400000000, 0.0001003600000000, 0.0000161000000000 ] - [ 0.0003029900000000, 0.0002782300000000, 0.0003514300000000 ] - [ -0.0009765600000000, -0.0004117400000000, 0.0022400900000000 ] - [ -0.0012954100000000, 0.0001572900000000, -0.0044975700000000 ] - [ 0.0006802300000000, -0.0036515900000000, -0.0075022400000000 ] - [ 0.0055396700000000, 0.0005610900000000, -0.0015477900000000 ] - [ 0.0008160900000000, 0.0000288500000000, 0.0003470100000000 ] - [ 0.0015845400000000, 0.0000203500000000, 0.0005801300000000 ] - [ 0.0018475500000000, -0.0003807300000000, -0.0003411800000000 ] - [ 0.0020528600000000, 0.0005203500000000, 0.0001414300000000 ] - [ 0.0008791800000000, 0.0001543200000000, -0.0010696500000000 ] - [ 0.0015225200000000, -0.0001885000000000, -0.0000955200000000 ] - [ 0.0017153700000000, 0.0001962900000000, -0.0001747500000000 ] - [ 0.0018171000000000, 0.0000904600000000, 0.0004041900000000 ] - [ 0.0016121400000000, 0.0001594600000000, -0.0000035200000000 ] - [ 0.0002852900000000, 0.0000420600000000, 0.0004982600000000 ] - [ 0.0015479000000000, -0.0005749600000000, -0.0003870700000000 ] - [ 0.0022778700000000, -0.0000199500000000, -0.0005386900000000 ] - [ 0.0022036900000000, -0.0000822500000000, 0.0003519200000000 ] - [ 0.0023249100000000, 0.0000151800000000, 0.0002148600000000 ] - [ 0.0021278100000000, -0.0001757800000000, -0.0006268700000000 ] - [ 0.0016037500000000, 0.0000709100000000, 0.0003499300000000 ] - [ 0.0027903100000000, 0.0000488000000000, -0.0040482600000000 ] - [ 0.0017893100000000, 0.0001026300000000, 0.0001232500000000 ] - [ 0.0017117900000000, 0.0000978100000000, -0.0005688400000000 ] - [ 0.0019824000000000, 0.0001330300000000, 0.0003409600000000 ] - [ 0.0015377000000000, -0.0000278900000000, 0.0009532500000000 ] - [ 0.0016873700000000, -0.0001827500000000, -0.0001594700000000 ] - [ 0.0022119700000000, -0.0001314600000000, 0.0003234400000000 ] - [ 0.0025188500000000, 0.0001723100000000, -0.0000745500000000 ] - [ 0.0017545100000000, 0.0006466200000000, -0.0000202000000000 ] - [ 0.0015143100000000, -0.0001364200000000, 0.0000481400000000 ] - [ 0.0015455400000000, -0.0000389600000000, 0.0000895700000000 ] - [ 0.0012525500000000, 0.0000588800000000, -0.0001864300000000 ] - [ 0.0027403500000000, 0.0000712600000000, 0.0007353100000000 ] - [ 0.0040667500000000, 0.0021534400000000, 0.0004040300000000 ] - [ 0.0005797000000000, -0.0001437700000000, -0.0002186900000000 ] - [ 0.0008413800000000, -0.0000288800000000, 0.0014981800000000 ]- atom: 56 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013707900000000, -0.0001751900000000, -0.0004203700000000 ] - [ -0.0158378500000000, -0.0000919600000000, -0.0033716700000000 ] - [ 0.0026571200000000, 0.0001216000000000, -0.0005552000000000 ] - [ -0.0179879000000000, -0.0012183800000000, -0.0002760800000000 ] - [ 0.0026733000000000, 0.0003613600000000, -0.0024824700000000 ] - [ -0.0068228600000000, 0.0005175900000000, 0.0024030500000000 ] - [ 0.0021580900000000, -0.0000662200000000, 0.0001626500000000 ] - [ 0.0011654100000000, 0.0000783000000000, 0.0019968900000000 ] - [ -0.0192423900000000, 0.0061132300000000, -0.0022152700000000 ] - [ -0.0028370900000000, 0.0000380900000000, -0.0005142700000000 ] - [ -0.0053380000000000, 0.0013554800000000, 0.0039056200000000 ] - [ 0.0031807700000000, 0.0002746200000000, 0.0010424600000000 ] - [ 0.0031766500000000, -0.0003513300000000, -0.0009718300000000 ] - [ 0.0020196000000000, -0.0000015100000000, 0.0000939700000000 ] - [ -0.0011712700000000, -0.0000788300000000, -0.0025696600000000 ] - [ 0.0023448100000000, 0.0002119800000000, -0.0002855900000000 ] - [ 0.0020754300000000, -0.0001267500000000, -0.0002094400000000 ] - [ 0.0024841800000000, -0.0002293300000000, -0.0002949800000000 ] - [ 0.0034220800000000, -0.0020783800000000, 0.0040906700000000 ] - [ 0.0026263200000000, 0.0002112500000000, 0.0009182000000000 ] - [ 0.0020979600000000, -0.0001223800000000, 0.0003092000000000 ] - [ 0.0026662000000000, 0.0000614300000000, 0.0000520300000000 ] - [ 0.0022156300000000, 0.0000093200000000, 0.0001781600000000 ] - [ 0.0014895600000000, 0.0000753100000000, 0.0008459200000000 ] - [ -0.0032354800000000, 0.0020791500000000, 0.0040103800000000 ] - [ 0.0014545100000000, 0.0000153100000000, 0.0009529500000000 ] - [ 0.0048414000000000, -0.0009234300000000, -0.0015226200000000 ] - [ -0.1601084000000000, -0.0623822500000000, -0.0646235900000000 ] - [ -0.0049650400000000, -0.0000014900000000, -0.0004923800000000 ] - [ -0.0005638400000000, 0.0000395400000000, 0.0025468200000000 ] - [ 0.0070236500000000, 0.0090645400000000, -0.0114464200000000 ] - [ -0.0033285200000000, -0.0011291900000000, -0.0081595200000000 ] - [ 0.0026159700000000, -0.0001548200000000, 0.0001251800000000 ] - [ 0.0044489000000000, 0.0006444600000000, 0.0014589600000000 ] - [ 0.0012496800000000, -0.0001727900000000, -0.0007661300000000 ] - [ 0.0024792600000000, 0.0000206200000000, -0.0000950900000000 ] - [ 0.0028535400000000, -0.0000430000000000, -0.0002913300000000 ] - [ 0.0035300600000000, -0.0003021300000000, 0.0001898000000000 ] - [ 0.0027022300000000, 0.0000569500000000, -0.0005062300000000 ] - [ 0.0027717700000000, 0.0000413900000000, -0.0004158900000000 ] - [ -0.0018956200000000, 0.0002414200000000, 0.0011871800000000 ] - [ 0.0033583600000000, -0.0077785200000000, -0.0051938000000000 ] - [ 0.0029446100000000, 0.0001491200000000, -0.0005485800000000 ] - [ 0.0019597500000000, -0.0008737400000000, -0.0017718500000000 ] - [ -0.0015440500000000, -0.0016648000000000, -0.0212300600000000 ] - [ -0.0028176900000000, 0.0001909900000000, -0.0007550000000000 ] - [ -0.0000606300000000, -0.0012819900000000, 0.0036661000000000 ] - [ 0.0000885300000000, 0.0000619400000000, 0.0021367000000000 ] - [ 0.0077637800000000, 0.0008964000000000, -0.0033844300000000 ] - [ 0.0055155300000000, -0.0003354400000000, 0.0023751100000000 ] - [ 0.0020016700000000, 0.0000125100000000, -0.0013444700000000 ] - [ 0.0006273100000000, -0.0007654100000000, -0.0048536200000000 ] - [ -0.0013804300000000, 0.0004964900000000, 0.0000979700000000 ] - [ -0.0012948900000000, 0.0027113300000000, -0.0043985300000000 ] - [ -0.0360043000000000, -0.0059624700000000, 0.0053182200000000 ] - [ 0.2413973500000000, 0.0629070700000000, 0.0914870700000000 ] - [ -0.0013072000000000, -0.0000157800000000, -0.0008978700000000 ] - [ 0.0036000100000000, -0.0006106800000000, 0.0020109500000000 ] - [ 0.0043668100000000, -0.0001805000000000, 0.0001693600000000 ] - [ -0.0004871000000000, -0.0003638100000000, -0.0001705600000000 ] - [ 0.0007680400000000, 0.0006077800000000, -0.0026824000000000 ] - [ 0.0013209900000000, -0.0003786200000000, 0.0049103900000000 ] - [ -0.0006509700000000, 0.0035546800000000, 0.0080574800000000 ] - [ -0.0057658200000000, -0.0004858100000000, 0.0017503600000000 ] - [ -0.0010400300000000, 0.0002291700000000, -0.0003532600000000 ] - [ -0.0013444600000000, -0.0000768600000000, -0.0005030800000000 ] - [ -0.0020783200000000, 0.0001242000000000, 0.0003441700000000 ] - [ -0.0018602100000000, -0.0007193900000000, -0.0005765400000000 ] - [ -0.0010976700000000, 0.0001746200000000, 0.0008609500000000 ] - [ -0.0013002200000000, -0.0000725400000000, 0.0000915800000000 ] - [ -0.0014930400000000, 0.0000623000000000, 0.0001705100000000 ] - [ -0.0018211500000000, 0.0000387100000000, 0.0000967600000000 ] - [ -0.0014023200000000, 0.0001693200000000, -0.0002016300000000 ] - [ -0.0000513400000000, 0.0000182800000000, -0.0004251200000000 ] - [ -0.0017495100000000, 0.0003791900000000, -0.0000408500000000 ] - [ -0.0025013900000000, 0.0000162700000000, 0.0006001800000000 ] - [ -0.0019898800000000, 0.0000859000000000, -0.0002882000000000 ] - [ -0.0021105500000000, -0.0000178900000000, -0.0001542300000000 ] - [ -0.0023741100000000, 0.0001168300000000, 0.0007049000000000 ] - [ -0.0016059700000000, 0.0001493100000000, 0.0000433000000000 ] - [ -0.0025848300000000, 0.0001566600000000, 0.0035829000000000 ] - [ -0.0020151500000000, -0.0000998200000000, -0.0000564000000000 ] - [ -0.0019560200000000, -0.0000368800000000, 0.0006487000000000 ] - [ -0.0017918100000000, -0.0000481100000000, -0.0001522300000000 ] - [ -0.0017583800000000, -0.0002971900000000, -0.0011466300000000 ] - [ -0.0014766900000000, -0.0001454100000000, -0.0000403100000000 ] - [ -0.0020249500000000, 0.0000483100000000, -0.0001386400000000 ] - [ -0.0027139200000000, -0.0002538600000000, 0.0002623700000000 ] - [ -0.0019571100000000, -0.0004522300000000, -0.0004141400000000 ] - [ -0.0015180500000000, -0.0000804800000000, 0.0003386700000000 ] - [ -0.0015511100000000, -0.0000880200000000, 0.0004058100000000 ] - [ -0.0014520100000000, 0.0000256100000000, 0.0003753900000000 ] - [ -0.0029578200000000, 0.0001843200000000, -0.0007317100000000 ] - [ -0.0038168300000000, -0.0021779900000000, -0.0003188900000000 ] - [ -0.0008080900000000, -0.0001167100000000, 0.0002116000000000 ] - [ -0.0006573000000000, -0.0001699300000000, -0.0019284900000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001700500000000, -0.0000193000000000, 0.0000417400000000 ] - [ 0.0006348400000000, 0.0006730100000000, 0.0026033800000000 ] - [ -0.0000652300000000, -0.0000004900000000, -0.0002360300000000 ] - [ 0.0006400400000000, -0.0000337400000000, -0.0007819700000000 ] - [ -0.0008165000000000, -0.0005146800000000, -0.0000666400000000 ] - [ -0.0000261500000000, 0.0002398900000000, 0.0004403500000000 ] - [ -0.0001414500000000, 0.0000071200000000, -0.0001276000000000 ] - [ -0.0003179100000000, 0.0000992900000000, 0.0002439700000000 ] - [ -0.0072513600000000, 0.0076182200000000, -0.0021269700000000 ] - [ -0.0004443200000000, 0.0000570100000000, 0.0005828000000000 ] - [ 0.0009015500000000, -0.0000477200000000, -0.0006473900000000 ] - [ 0.0000952200000000, 0.0000277600000000, 0.0002543500000000 ] - [ 0.0001158000000000, -0.0000842800000000, 0.0004816000000000 ] - [ -0.0002345900000000, 0.0000323400000000, 0.0000907400000000 ] - [ 0.0006513600000000, 0.0000951100000000, -0.0003708100000000 ] - [ -0.0000535500000000, -0.0000155500000000, 0.0000356600000000 ] - [ 0.0000037500000000, -0.0000112400000000, 0.0000295500000000 ] - [ -0.0000935400000000, 0.0000193900000000, 0.0000239100000000 ] - [ -0.0016350200000000, -0.0008176000000000, -0.0013082900000000 ] - [ -0.0002750700000000, -0.0000119200000000, -0.0000644700000000 ] - [ -0.0000692000000000, -0.0000755500000000, 0.0001227700000000 ] - [ -0.0001390600000000, 0.0000973000000000, 0.0002534000000000 ] - [ -0.0002007900000000, -0.0000377900000000, 0.0001375700000000 ] - [ 0.0000487300000000, 0.0000078100000000, -0.0001460800000000 ] - [ -0.0015444900000000, -0.0003997900000000, -0.0009840400000000 ] - [ -0.0002712500000000, 0.0000126500000000, 0.0000838600000000 ] - [ 0.0003126100000000, -0.0001944100000000, -0.0002016600000000 ] - [ 0.0654544900000000, 0.0698813400000000, 0.0356412700000000 ] - [ 0.0004700700000000, -0.0003018700000000, -0.0010844200000000 ] - [ 0.0003815600000000, -0.0001922200000000, -0.0011649600000000 ] - [ -0.0007011200000000, -0.0002708300000000, 0.0023440000000000 ] - [ -0.0007574200000000, 0.0015616500000000, -0.0028864700000000 ] - [ -0.0001438800000000, -0.0000950500000000, -0.0001951000000000 ] - [ -0.0003219500000000, -0.0000471200000000, 0.0000244300000000 ] - [ 0.0001380500000000, -0.0000605600000000, -0.0001327300000000 ] - [ -0.0001731100000000, -0.0000527100000000, -0.0000014500000000 ] - [ -0.0001471800000000, 0.0000484900000000, -0.0000234500000000 ] - [ -0.0000776900000000, -0.0000088200000000, -0.0001488700000000 ] - [ -0.0001963700000000, -0.0000110200000000, -0.0002721500000000 ] - [ -0.0000787900000000, 0.0001083000000000, -0.0001202500000000 ] - [ -0.0001023900000000, 0.0002227000000000, 0.0001322400000000 ] - [ 0.0129141400000000, 0.0258500800000000, 0.0067613600000000 ] - [ -0.0001991800000000, 0.0001907700000000, 0.0002982000000000 ] - [ 0.0003144700000000, -0.0000676500000000, 0.0001241100000000 ] - [ -0.0006229600000000, -0.0063811300000000, -0.0022783000000000 ] - [ 0.0001194700000000, 0.0000405300000000, 0.0000299200000000 ] - [ -0.0018750300000000, 0.0029831800000000, -0.0010976200000000 ] - [ 0.0002849500000000, -0.0003140500000000, 0.0006280400000000 ] - [ 0.0007717900000000, 0.0055299800000000, 0.0003771200000000 ] - [ 0.0011238700000000, 0.0023054600000000, -0.0012327400000000 ] - [ -0.0007396100000000, 0.0001209600000000, 0.0007332000000000 ] - [ 0.0008165200000000, -0.0002147800000000, 0.0003978400000000 ] - [ 0.0002161100000000, 0.0000607500000000, -0.0001594900000000 ] - [ 0.0001709600000000, 0.0010167400000000, -0.0007676200000000 ] - [ -0.0000166900000000, -0.0047730600000000, 0.0004268000000000 ] - [ -0.0664347000000000, -0.1049738600000000, -0.0404270000000000 ] - [ 0.0000252400000000, -0.0001353300000000, -0.0002251100000000 ] - [ -0.0002080200000000, -0.0008225900000000, 0.0014040700000000 ] - [ -0.0000358100000000, 0.0000341600000000, 0.0002704600000000 ] - [ 0.0002205700000000, -0.0000429800000000, 0.0000022000000000 ] - [ -0.0003955200000000, -0.0001604100000000, 0.0009021500000000 ] - [ 0.0010593100000000, -0.0009292200000000, -0.0003998700000000 ] - [ -0.0023483800000000, 0.0041701600000000, 0.0030612900000000 ] - [ -0.0006262400000000, -0.0008597100000000, 0.0007064500000000 ] - [ 0.0000366100000000, 0.0001207400000000, -0.0000128300000000 ] - [ 0.0002993200000000, -0.0000165500000000, 0.0000885900000000 ] - [ -0.0001336700000000, -0.0000906700000000, 0.0000622400000000 ] - [ 0.0001422500000000, -0.0000950800000000, -0.0002771900000000 ] - [ -0.0002270600000000, 0.0001225800000000, -0.0001135600000000 ] - [ 0.0001801900000000, -0.0001264900000000, -0.0000054000000000 ] - [ 0.0001695100000000, 0.0001219700000000, -0.0000055800000000 ] - [ 0.0001140400000000, 0.0000753900000000, 0.0002709600000000 ] - [ 0.0001684900000000, 0.0001600700000000, -0.0001137800000000 ] - [ 0.0000438700000000, 0.0000012900000000, 0.0003062600000000 ] - [ -0.0000026800000000, -0.0001349000000000, -0.0001814000000000 ] - [ -0.0000593700000000, -0.0000001600000000, -0.0000460200000000 ] - [ 0.0002206200000000, -0.0000131000000000, 0.0000650300000000 ] - [ 0.0001814300000000, -0.0000055000000000, 0.0000113300000000 ] - [ -0.0000592400000000, -0.0000239800000000, 0.0000053700000000 ] - [ 0.0000976000000000, 0.0001074000000000, 0.0002263500000000 ] - [ -0.0003816200000000, 0.0003768600000000, -0.0007320600000000 ] - [ -0.0000034300000000, 0.0000021500000000, 0.0000863200000000 ] - [ -0.0000100300000000, 0.0000363900000000, 0.0000122600000000 ] - [ 0.0001888100000000, 0.0000480100000000, 0.0001154900000000 ] - [ 0.0001705300000000, -0.0002418500000000, -0.0000069500000000 ] - [ 0.0001730600000000, -0.0001628900000000, -0.0000833600000000 ] - [ 0.0001868500000000, -0.0000423000000000, 0.0000979900000000 ] - [ 0.0001102800000000, 0.0000382800000000, -0.0000112400000000 ] - [ -0.0000344100000000, 0.0001185100000000, -0.0002521200000000 ] - [ 0.0000376600000000, -0.0001144600000000, 0.0001622600000000 ] - [ 0.0000339300000000, -0.0000526400000000, 0.0002490100000000 ] - [ -0.0001191400000000, 0.0000712700000000, 0.0001740000000000 ] - [ 0.0002387100000000, 0.0002004600000000, -0.0001113600000000 ] - [ 0.0003660000000000, -0.0004845000000000, -0.0005683900000000 ] - [ -0.0001930800000000, -0.0001094900000000, 0.0001038900000000 ] - [ 0.0001301100000000, -0.0000199600000000, 0.0004726300000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004129200000000, -0.0000468900000000, 0.0001850100000000 ] - [ -0.0006876800000000, -0.0008802400000000, -0.0026075900000000 ] - [ 0.0000683200000000, 0.0000002700000000, -0.0001173500000000 ] - [ -0.0006167300000000, -0.0002705000000000, 0.0011168400000000 ] - [ 0.0007648700000000, 0.0004945800000000, 0.0000945200000000 ] - [ 0.0000787400000000, -0.0002146400000000, -0.0004087500000000 ] - [ 0.0001452400000000, -0.0000080000000000, -0.0002243600000000 ] - [ 0.0002590000000000, -0.0000831100000000, -0.0002087400000000 ] - [ 0.0070202300000000, -0.0077505800000000, 0.0024083600000000 ] - [ 0.0004413100000000, 0.0001105200000000, -0.0002180000000000 ] - [ -0.0011629700000000, -0.0000013700000000, 0.0008956600000000 ] - [ 0.0001520400000000, 0.0000386500000000, -0.0000221000000000 ] - [ 0.0001310100000000, 0.0000161800000000, -0.0002535900000000 ] - [ -0.0000015800000000, 0.0000309800000000, 0.0001358700000000 ] - [ -0.0006606700000000, -0.0000930000000000, 0.0000226900000000 ] - [ 0.0001181300000000, 0.0000013900000000, -0.0000022000000000 ] - [ -0.0000615800000000, -0.0000049200000000, 0.0000040000000000 ] - [ 0.0001588300000000, -0.0000051000000000, 0.0000101800000000 ] - [ 0.0016309300000000, 0.0007869300000000, 0.0009498400000000 ] - [ 0.0002193400000000, 0.0000266900000000, 0.0000984000000000 ] - [ 0.0000750400000000, -0.0000949900000000, 0.0002455700000000 ] - [ 0.0001439100000000, 0.0000740300000000, 0.0001190800000000 ] - [ -0.0000347100000000, -0.0000296000000000, 0.0000935700000000 ] - [ 0.0001938200000000, 0.0000566400000000, 0.0003740800000000 ] - [ 0.0015665800000000, 0.0001759700000000, 0.0007030800000000 ] - [ 0.0003637400000000, 0.0000828700000000, -0.0001268600000000 ] - [ -0.0002193400000000, 0.0000970900000000, 0.0001647500000000 ] - [ -0.0634551600000000, -0.0697419000000000, -0.0345381300000000 ] - [ -0.0005722300000000, 0.0004026300000000, 0.0010585100000000 ] - [ -0.0003854900000000, 0.0001847200000000, 0.0007342800000000 ] - [ 0.0007091400000000, 0.0003408900000000, -0.0028385500000000 ] - [ 0.0007535000000000, -0.0013288100000000, 0.0025722000000000 ] - [ 0.0001541000000000, -0.0001156600000000, -0.0001059400000000 ] - [ 0.0004183300000000, 0.0001456300000000, -0.0000629100000000 ] - [ -0.0000505500000000, -0.0000321700000000, 0.0000949100000000 ] - [ 0.0000923800000000, -0.0000471800000000, -0.0000373200000000 ] - [ 0.0000658000000000, 0.0000421200000000, -0.0000139100000000 ] - [ 0.0000816800000000, 0.0000052000000000, -0.0002820400000000 ] - [ 0.0001988300000000, 0.0000101400000000, -0.0001652000000000 ] - [ 0.0000811800000000, 0.0001004100000000, -0.0001826700000000 ] - [ -0.0001059600000000, 0.0000996100000000, -0.0003326300000000 ] - [ -0.0123776600000000, -0.0259161700000000, -0.0066169700000000 ] - [ 0.0004225000000000, 0.0000515000000000, -0.0003005200000000 ] - [ -0.0003190700000000, 0.0001962300000000, 0.0003814700000000 ] - [ 0.0007208800000000, 0.0066814000000000, 0.0019214200000000 ] - [ 0.0001245700000000, 0.0000102200000000, 0.0000434400000000 ] - [ 0.0017060000000000, -0.0032236300000000, 0.0006568300000000 ] - [ -0.0005036400000000, 0.0003174000000000, -0.0005693100000000 ] - [ -0.0005783100000000, -0.0055427000000000, -0.0003848000000000 ] - [ -0.0009050500000000, -0.0023304300000000, 0.0013041000000000 ] - [ 0.0004981700000000, -0.0001718300000000, -0.0006633300000000 ] - [ -0.0008128700000000, 0.0004430600000000, -0.0000127400000000 ] - [ -0.0000280300000000, 0.0001445300000000, -0.0002727000000000 ] - [ -0.0003931000000000, -0.0010234500000000, 0.0008190100000000 ] - [ -0.0004183100000000, 0.0047792900000000, -0.0003213400000000 ] - [ 0.0646677400000000, 0.1052830200000000, 0.0395200100000000 ] - [ -0.0002316400000000, -0.0001851900000000, 0.0000286400000000 ] - [ 0.0004152000000000, 0.0005112200000000, -0.0016197000000000 ] - [ 0.0002496000000000, -0.0001156500000000, -0.0000764900000000 ] - [ -0.0004245600000000, -0.0000406700000000, 0.0001922700000000 ] - [ 0.0002085500000000, 0.0003676600000000, -0.0013384400000000 ] - [ -0.0010557200000000, 0.0007100000000000, 0.0007804300000000 ] - [ 0.0023062400000000, -0.0043132200000000, -0.0025153800000000 ] - [ 0.0004165400000000, 0.0009384900000000, -0.0005103200000000 ] - [ -0.0002585000000000, 0.0001220600000000, 0.0000165400000000 ] - [ -0.0000549000000000, -0.0000344400000000, -0.0000115500000000 ] - [ -0.0000886800000000, -0.0001565800000000, -0.0000596300000000 ] - [ 0.0000460800000000, -0.0001115400000000, -0.0001620900000000 ] - [ 0.0000216300000000, 0.0001995300000000, -0.0000889000000000 ] - [ 0.0000369500000000, -0.0001200600000000, 0.0000074700000000 ] - [ 0.0000476600000000, 0.0001202000000000, 0.0000065600000000 ] - [ -0.0001184900000000, 0.0000524000000000, 0.0002479300000000 ] - [ 0.0000340600000000, 0.0001624200000000, -0.0000869000000000 ] - [ 0.0002060900000000, 0.0000535400000000, -0.0002286300000000 ] - [ -0.0001914700000000, -0.0000708900000000, -0.0002506200000000 ] - [ -0.0001643200000000, 0.0000005800000000, 0.0000973100000000 ] - [ -0.0000093900000000, 0.0000108200000000, -0.0000133700000000 ] - [ 0.0000312800000000, 0.0000079900000000, 0.0000380200000000 ] - [ -0.0001905800000000, -0.0000304200000000, 0.0000696900000000 ] - [ -0.0000989800000000, 0.0001180900000000, 0.0001608500000000 ] - [ 0.0005691500000000, -0.0001762800000000, 0.0003066000000000 ] - [ -0.0002163100000000, -0.0000047600000000, -0.0000343800000000 ] - [ -0.0002416500000000, 0.0000191100000000, 0.0000667000000000 ] - [ 0.0000121300000000, 0.0000346000000000, 0.0000800600000000 ] - [ -0.0003795800000000, -0.0000803700000000, -0.0001930400000000 ] - [ 0.0000301300000000, -0.0001592100000000, -0.0001150600000000 ] - [ 0.0000098800000000, -0.0000398400000000, 0.0000915500000000 ] - [ -0.0003189900000000, -0.0001190800000000, 0.0002039100000000 ] - [ -0.0001607500000000, 0.0000842700000000, -0.0001872800000000 ] - [ -0.0000410100000000, -0.0001092400000000, 0.0002214700000000 ] - [ -0.0000382800000000, -0.0000746700000000, 0.0002643800000000 ] - [ -0.0000873700000000, 0.0000110500000000, 0.0000229500000000 ] - [ -0.0004657100000000, 0.0000428800000000, 0.0001115500000000 ] - [ -0.0001197900000000, 0.0004213200000000, 0.0006484100000000 ] - [ -0.0000269100000000, -0.0001368200000000, -0.0001008800000000 ] - [ 0.0000543000000000, -0.0001832000000000, -0.0009078100000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011565900000000, 0.0001470200000000, -0.0007913700000000 ] - [ 0.0031707900000000, -0.0005102300000000, 0.0085413600000000 ] - [ -0.0000233700000000, 0.0000081000000000, 0.0000554700000000 ] - [ 0.0059020600000000, 0.0024783200000000, 0.0087589100000000 ] - [ 0.0027378500000000, -0.0003671800000000, 0.0018156100000000 ] - [ 0.0011147100000000, 0.0007660100000000, -0.0075960900000000 ] - [ -0.0005360100000000, 0.0000356100000000, -0.0004040100000000 ] - [ -0.0022263700000000, 0.0000400100000000, -0.0019628500000000 ] - [ 0.0020351500000000, -0.0021961300000000, 0.0112341200000000 ] - [ 0.0011947700000000, 0.0000851700000000, -0.0044053900000000 ] - [ 0.0002281600000000, -0.0017633700000000, -0.0074675300000000 ] - [ -0.0015495500000000, 0.0001575500000000, 0.0009206500000000 ] - [ 0.0008320000000000, -0.0001551900000000, 0.0006740200000000 ] - [ -0.0003262300000000, 0.0000127200000000, 0.0000242000000000 ] - [ 0.0015247100000000, 0.0000124100000000, -0.0026599600000000 ] - [ -0.0002213000000000, -0.0000265300000000, -0.0000128800000000 ] - [ 0.0000094800000000, 0.0000008700000000, -0.0002930500000000 ] - [ -0.0002746700000000, 0.0000397800000000, 0.0001172400000000 ] - [ -0.0046581400000000, 0.0015182900000000, 0.0027019400000000 ] - [ -0.0006818500000000, -0.0000566200000000, 0.0002792700000000 ] - [ -0.0003443000000000, -0.0000688400000000, 0.0000223100000000 ] - [ -0.0002224300000000, 0.0000958800000000, 0.0003484000000000 ] - [ -0.0004266500000000, -0.0000463400000000, 0.0001889400000000 ] - [ -0.0010597100000000, -0.0002070800000000, -0.0005686500000000 ] - [ -0.0047736300000000, -0.0022916900000000, -0.0047254100000000 ] - [ -0.0002299000000000, 0.0002251100000000, -0.0013252000000000 ] - [ -0.0006087200000000, 0.0005095000000000, 0.0015767200000000 ] - [ 0.0679430100000000, 0.0351381300000000, 0.0836048500000000 ] - [ 0.0005144300000000, -0.0004783900000000, -0.0061598800000000 ] - [ -0.0017456700000000, -0.0003148400000000, -0.0046751900000000 ] - [ 0.0034981400000000, -0.0005800800000000, 0.0036602900000000 ] - [ 0.0049490800000000, -0.0020699100000000, -0.0012212400000000 ] - [ -0.0005157200000000, -0.0000983600000000, -0.0000469900000000 ] - [ -0.0000023800000000, 0.0000037200000000, 0.0014801800000000 ] - [ -0.0004876500000000, -0.0000923300000000, -0.0013592300000000 ] - [ -0.0003236800000000, -0.0000737000000000, -0.0001616700000000 ] - [ -0.0003725600000000, 0.0000392200000000, 0.0001473600000000 ] - [ -0.0005796100000000, -0.0000942200000000, 0.0002389800000000 ] - [ -0.0001769900000000, -0.0001556100000000, -0.0006225000000000 ] - [ -0.0001355000000000, 0.0000500400000000, -0.0002710100000000 ] - [ -0.0005571300000000, 0.0004394900000000, -0.0009707700000000 ] - [ 0.0040389100000000, 0.0023376100000000, -0.0102722900000000 ] - [ -0.0005769100000000, 0.0004941100000000, 0.0033368900000000 ] - [ 0.0008012100000000, 0.0004501000000000, 0.0041177300000000 ] - [ 0.0250026400000000, 0.0022134500000000, 0.0228347000000000 ] - [ 0.0004255000000000, -0.0000855700000000, -0.0003376500000000 ] - [ -0.0055048100000000, 0.0031982700000000, -0.0003070000000000 ] - [ -0.0024982900000000, 0.0007552900000000, 0.0010506400000000 ] - [ 0.0035277800000000, -0.0005891500000000, 0.0044721300000000 ] - [ -0.0028912600000000, -0.0013500600000000, 0.0037049400000000 ] - [ -0.0010173700000000, -0.0001328000000000, 0.0035195000000000 ] - [ 0.0038548800000000, 0.0004565900000000, 0.0041755700000000 ] - [ -0.0000849900000000, 0.0002026900000000, -0.0000413300000000 ] - [ 0.0028282900000000, -0.0001894300000000, 0.0007838800000000 ] - [ -0.0066253000000000, 0.0003045500000000, -0.0098427900000000 ] - [ -0.0946020000000000, -0.0401498800000000, -0.1179013900000000 ] - [ 0.0006073000000000, -0.0000235500000000, 0.0006114600000000 ] - [ -0.0014814600000000, 0.0004982700000000, 0.0054340500000000 ] - [ -0.0000001800000000, -0.0002130200000000, 0.0039527000000000 ] - [ -0.0003387300000000, 0.0000560300000000, 0.0016727200000000 ] - [ 0.0016903200000000, 0.0004295700000000, 0.0020682800000000 ] - [ -0.0041124600000000, 0.0001806200000000, 0.0027798300000000 ] - [ -0.0051274900000000, 0.0007653200000000, -0.0029492400000000 ] - [ 0.0015758200000000, 0.0006470800000000, -0.0023122100000000 ] - [ 0.0003177100000000, 0.0000012600000000, 0.0008076600000000 ] - [ 0.0003614400000000, -0.0001632400000000, 0.0005733200000000 ] - [ -0.0003081400000000, -0.0003589000000000, -0.0009166200000000 ] - [ 0.0007218400000000, 0.0001482700000000, -0.0003686500000000 ] - [ -0.0005158500000000, -0.0000448600000000, 0.0006262500000000 ] - [ 0.0002976800000000, -0.0001388600000000, 0.0000630500000000 ] - [ 0.0002991500000000, 0.0001699900000000, -0.0001088100000000 ] - [ 0.0002670900000000, 0.0000898500000000, 0.0000916500000000 ] - [ 0.0003439100000000, 0.0001376100000000, -0.0000156500000000 ] - [ 0.0008868700000000, -0.0001564000000000, 0.0017521100000000 ] - [ -0.0000224800000000, -0.0001033800000000, -0.0001307000000000 ] - [ -0.0001558800000000, -0.0000387200000000, 0.0000359800000000 ] - [ 0.0004476000000000, -0.0000203200000000, 0.0000933200000000 ] - [ 0.0002934900000000, -0.0000133100000000, 0.0000681500000000 ] - [ 0.0002252400000000, -0.0001112800000000, -0.0002295900000000 ] - [ 0.0002761700000000, 0.0001084900000000, 0.0001845300000000 ] - [ -0.0013954300000000, 0.0008406500000000, -0.0006838600000000 ] - [ 0.0004520200000000, -0.0000108500000000, 0.0000173500000000 ] - [ 0.0000729000000000, 0.0000634400000000, 0.0001540600000000 ] - [ 0.0003213300000000, 0.0000566600000000, 0.0002007000000000 ] - [ 0.0007716900000000, -0.0004420000000000, -0.0008177600000000 ] - [ 0.0002600700000000, -0.0001883600000000, -0.0001757700000000 ] - [ 0.0003055300000000, -0.0000415300000000, 0.0000325200000000 ] - [ 0.0000896200000000, 0.0000693100000000, -0.0004307700000000 ] - [ 0.0002393400000000, 0.0002087400000000, -0.0002870200000000 ] - [ 0.0001026300000000, -0.0000743800000000, 0.0002139200000000 ] - [ 0.0001322000000000, -0.0000337600000000, 0.0003411400000000 ] - [ 0.0002047600000000, 0.0001150900000000, 0.0005378700000000 ] - [ 0.0000094700000000, 0.0002994000000000, -0.0008509900000000 ] - [ -0.0006160500000000, -0.0006869500000000, -0.0018941700000000 ] - [ -0.0000409100000000, -0.0000250900000000, 0.0007224300000000 ] - [ 0.0021123900000000, -0.0000689300000000, 0.0011532600000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009249100000000, -0.0002046500000000, 0.0010136800000000 ] - [ -0.0032240800000000, 0.0003082700000000, -0.0085732400000000 ] - [ 0.0000251800000000, -0.0000082000000000, -0.0004075400000000 ] - [ -0.0058846100000000, -0.0028768200000000, -0.0082412000000000 ] - [ -0.0028065100000000, 0.0003556500000000, -0.0017780200000000 ] - [ -0.0010438500000000, -0.0007678500000000, 0.0076621300000000 ] - [ 0.0005395300000000, -0.0000361800000000, 0.0000503300000000 ] - [ 0.0021658700000000, -0.0000284600000000, 0.0019933000000000 ] - [ -0.0021544300000000, 0.0020878000000000, -0.0108631900000000 ] - [ -0.0011888800000000, 0.0000831600000000, 0.0047744600000000 ] - [ -0.0004618400000000, 0.0016980800000000, 0.0076818800000000 ] - [ 0.0017811200000000, -0.0001010400000000, -0.0006990200000000 ] - [ -0.0005939400000000, 0.0000954100000000, -0.0004536700000000 ] - [ 0.0001010100000000, 0.0000442600000000, 0.0001965100000000 ] - [ -0.0015394100000000, -0.0000125400000000, 0.0022997400000000 ] - [ 0.0002922500000000, 0.0000131200000000, 0.0000434200000000 ] - [ -0.0000748100000000, -0.0000155700000000, 0.0003204300000000 ] - [ 0.0003461900000000, -0.0000261600000000, -0.0000855700000000 ] - [ 0.0046702100000000, -0.0015087400000000, -0.0030078700000000 ] - [ 0.0006182200000000, 0.0000710700000000, -0.0002437300000000 ] - [ 0.0003469200000000, -0.0000992100000000, 0.0003486300000000 ] - [ 0.0002280300000000, 0.0000724400000000, 0.0000265200000000 ] - [ 0.0002026500000000, -0.0000122300000000, 0.0000369300000000 ] - [ 0.0012824200000000, 0.0002620400000000, 0.0007917600000000 ] - [ 0.0047918200000000, 0.0021268100000000, 0.0044176200000000 ] - [ 0.0003032400000000, -0.0001280900000000, 0.0012737800000000 ] - [ 0.0006754000000000, -0.0006034300000000, -0.0016200200000000 ] - [ -0.0659636700000000, -0.0341000000000000, -0.0835011600000000 ] - [ -0.0005896300000000, 0.0005780100000000, 0.0061161600000000 ] - [ 0.0017263800000000, 0.0003225700000000, 0.0042693700000000 ] - [ -0.0034714400000000, 0.0006412900000000, -0.0041496900000000 ] - [ -0.0049274600000000, 0.0022412500000000, 0.0009347100000000 ] - [ 0.0005207500000000, -0.0000844200000000, -0.0002628000000000 ] - [ 0.0000856600000000, 0.0000892000000000, -0.0015152000000000 ] - [ 0.0005496800000000, 0.0000004300000000, 0.0013017000000000 ] - [ 0.0002610300000000, -0.0000221300000000, 0.0001118100000000 ] - [ 0.0003092000000000, 0.0000512600000000, -0.0001936400000000 ] - [ 0.0005839400000000, 0.0000952700000000, -0.0006363500000000 ] - [ 0.0001817300000000, 0.0001551900000000, 0.0002213300000000 ] - [ 0.0001382400000000, 0.0001300600000000, -0.0000439500000000 ] - [ 0.0003348500000000, -0.0001157700000000, 0.0007676100000000 ] - [ -0.0038676000000000, -0.0026502700000000, 0.0101652800000000 ] - [ 0.0008091000000000, -0.0002244000000000, -0.0033413700000000 ] - [ -0.0008052500000000, -0.0003257300000000, -0.0036447300000000 ] - [ -0.0243408900000000, -0.0019010000000000, -0.0226931600000000 ] - [ -0.0002058500000000, 0.0001863900000000, 0.0004148700000000 ] - [ 0.0053391000000000, -0.0034195900000000, -0.0001151400000000 ] - [ 0.0022757500000000, -0.0007572700000000, -0.0009794400000000 ] - [ -0.0033229000000000, 0.0006004100000000, -0.0043998000000000 ] - [ 0.0030954800000000, 0.0013328800000000, -0.0036132800000000 ] - [ 0.0008093800000000, 0.0000323200000000, -0.0034411600000000 ] - [ -0.0038852700000000, -0.0002597600000000, -0.0037979100000000 ] - [ 0.0002829600000000, -0.0000083600000000, -0.0003884000000000 ] - [ -0.0030532200000000, 0.0001835500000000, -0.0006989600000000 ] - [ 0.0062132400000000, -0.0002425000000000, 0.0099715200000000 ] - [ 0.0924899000000000, 0.0398061000000000, 0.1174615200000000 ] - [ -0.0008312400000000, -0.0002996400000000, -0.0008060100000000 ] - [ 0.0017170900000000, -0.0008272000000000, -0.0056438700000000 ] - [ 0.0001750700000000, 0.0001323300000000, -0.0037663900000000 ] - [ 0.0001620600000000, -0.0001349000000000, -0.0014876900000000 ] - [ -0.0018842400000000, -0.0002361800000000, -0.0025110000000000 ] - [ 0.0040939900000000, -0.0003859500000000, -0.0023847000000000 ] - [ 0.0051312600000000, -0.0008964000000000, 0.0033867900000000 ] - [ -0.0017436800000000, -0.0005700100000000, 0.0024935500000000 ] - [ -0.0005483000000000, 0.0002673200000000, -0.0008119200000000 ] - [ -0.0001465500000000, 0.0000656800000000, -0.0004939000000000 ] - [ 0.0000807000000000, 0.0000848400000000, 0.0009090900000000 ] - [ -0.0005216900000000, -0.0003426800000000, -0.0000637800000000 ] - [ 0.0002939200000000, 0.0003690000000000, -0.0008184600000000 ] - [ -0.0000720400000000, -0.0001338300000000, -0.0000685700000000 ] - [ -0.0000730700000000, 0.0000999300000000, 0.0001007700000000 ] - [ -0.0002701400000000, 0.0000345700000000, 0.0003791900000000 ] - [ -0.0001240400000000, 0.0001863000000000, -0.0001823000000000 ] - [ -0.0006610100000000, 0.0002579100000000, -0.0016674100000000 ] - [ -0.0001801700000000, -0.0000913300000000, -0.0002989800000000 ] - [ -0.0000709800000000, 0.0000336800000000, 0.0000430000000000 ] - [ -0.0002297300000000, 0.0000238600000000, -0.0000147000000000 ] - [ -0.0000777000000000, 0.0000096200000000, 0.0000086900000000 ] - [ -0.0004445300000000, 0.0000092800000000, 0.0003066000000000 ] - [ -0.0002770000000000, 0.0000937700000000, 0.0002090100000000 ] - [ 0.0015907600000000, -0.0006521600000000, 0.0002723400000000 ] - [ -0.0006715600000000, 0.0000143300000000, 0.0000614100000000 ] - [ -0.0002961800000000, 0.0000386200000000, -0.0000717600000000 ] - [ -0.0001502300000000, 0.0000234600000000, -0.0000160600000000 ] - [ -0.0009942500000000, 0.0001162100000000, 0.0006106700000000 ] - [ -0.0000398800000000, -0.0001359400000000, -0.0000214600000000 ] - [ -0.0001381500000000, -0.0000368900000000, 0.0001470300000000 ] - [ -0.0002675100000000, -0.0001480900000000, 0.0006096900000000 ] - [ -0.0004414700000000, -0.0000154500000000, -0.0001464700000000 ] - [ -0.0001060100000000, -0.0001250100000000, 0.0001786600000000 ] - [ -0.0001360600000000, -0.0000913300000000, 0.0001328400000000 ] - [ -0.0003756700000000, -0.0000353700000000, -0.0003504400000000 ] - [ -0.0002470300000000, -0.0000270800000000, 0.0008373900000000 ] - [ 0.0008122800000000, 0.0005752400000000, 0.0019712700000000 ] - [ -0.0001841100000000, -0.0002470700000000, -0.0007236100000000 ] - [ -0.0018989100000000, -0.0001273500000000, -0.0015862700000000 ]