# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c224eefb-d1fa-459e-8b41-6c28b0741b9a/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 Lu2GeO5 / C2/c (15) / materials id 768388](https://mdr.nims.go.jp/datasets/dfe4c039-98cb-4ed8-82da-7b589d030568) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.318750515000000, -3.324671290000000, 0.017949685000000 ] # a - [ 7.318750515000000, 3.324671290000000, 0.017949685000000 ] # b - [ -5.376044100000000, 0.000000000000000, 8.573045380000000 ] # c points: - symbol: Lu # 1 coordinates: [ 0.495982270000000, 0.233235390000000, 0.662651610000000 ] mass: 174.966800 - symbol: Lu # 2 coordinates: [ 0.294162480000000, 0.774620380000000, 0.964132920000000 ] mass: 174.966800 - symbol: Lu # 3 coordinates: [ 0.225379620000000, 0.705837520000000, 0.535867080000000 ] mass: 174.966800 - symbol: Lu # 4 coordinates: [ 0.233235390000000, 0.495982270000000, 0.162651610000000 ] mass: 174.966800 - symbol: Lu # 5 coordinates: [ 0.766764610000000, 0.504017730000000, 0.837348390000000 ] mass: 174.966800 - symbol: Lu # 6 coordinates: [ 0.774620380000000, 0.294162480000000, 0.464132920000000 ] mass: 174.966800 - symbol: Lu # 7 coordinates: [ 0.705837520000000, 0.225379620000000, 0.035867080000000 ] mass: 174.966800 - symbol: Lu # 8 coordinates: [ 0.504017730000000, 0.766764610000000, 0.337348390000000 ] mass: 174.966800 - symbol: Ge # 9 coordinates: [ 0.089862260000000, 0.283626000000000, 0.309056890000000 ] mass: 72.640000 - symbol: Ge # 10 coordinates: [ 0.716374000000000, 0.910137740000000, 0.190943110000000 ] mass: 72.640000 - symbol: Ge # 11 coordinates: [ 0.283626000000000, 0.089862260000000, 0.809056890000000 ] mass: 72.640000 - symbol: Ge # 12 coordinates: [ 0.910137740000000, 0.716374000000000, 0.690943110000000 ] mass: 72.640000 - symbol: O # 13 coordinates: [ 0.075701840000000, 0.088140780000000, 0.129820680000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.717579760000000, 0.870059140000000, 0.548487840000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.188209340000000, 0.580781920000000, 0.675984010000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.534505620000000, 0.850482360000000, 0.175562960000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.149517640000000, 0.465494380000000, 0.324437040000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.617449420000000, 0.417149660000000, 0.898375460000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.582850340000000, 0.382550580000000, 0.601624540000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.911859220000000, 0.924298160000000, 0.370179320000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.870059140000000, 0.717579760000000, 0.048487840000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.419218080000000, 0.811790660000000, 0.824015990000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.580781920000000, 0.188209340000000, 0.175984010000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.129940860000000, 0.282420240000000, 0.951512160000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.088140780000000, 0.075701840000000, 0.629820680000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.417149660000000, 0.617449420000000, 0.398375460000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.382550580000000, 0.582850340000000, 0.101624540000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.850482360000000, 0.534505620000000, 0.675562960000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.465494380000000, 0.149517640000000, 0.824437040000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.811790660000000, 0.419218080000000, 0.324015990000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.282420240000000, 0.129940860000000, 0.451512160000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.924298160000000, 0.911859220000000, 0.870179320000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.068212763274680, -0.150390807507469, 0.042775327470335 ] # a* - [ 0.068212763274680, 0.150390807507469, 0.042775327470335 ] # b* - [ -0.000285638897145, -0.000000000000000, 0.116465543856980 ] # c*unit_cell: lattice: - [ 14.637501029999999, 0.000000000000000, 0.035899370000000 ] # a - [ 0.000000000000000, 6.649342580000000, 0.000000000000000 ] # b - [ -5.376044100000000, 0.000000000000000, 8.573045380000000 ] # c points: - symbol: Lu # 1 coordinates: [ 0.864608830000000, 0.368626560000000, 0.662651610000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 2 coordinates: [ 0.034391430000000, 0.740228950000000, 0.964132920000000 ] mass: 174.966800 reduced_to: 2 - symbol: Lu # 3 coordinates: [ 0.965608570000000, 0.740228950000000, 0.535867080000000 ] mass: 174.966800 reduced_to: 3 - symbol: Lu # 4 coordinates: [ 0.864608830000000, 0.631373440000000, 0.162651610000000 ] mass: 174.966800 reduced_to: 4 - symbol: Lu # 5 coordinates: [ 0.135391170000000, 0.368626560000000, 0.837348390000000 ] mass: 174.966800 reduced_to: 5 - symbol: Lu # 6 coordinates: [ 0.034391430000000, 0.259771050000000, 0.464132920000000 ] mass: 174.966800 reduced_to: 6 - symbol: Lu # 7 coordinates: [ 0.965608570000000, 0.259771050000000, 0.035867080000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 8 coordinates: [ 0.135391170000000, 0.631373440000000, 0.337348390000000 ] mass: 174.966800 reduced_to: 8 - symbol: Lu # 9 coordinates: [ 0.364608830000000, 0.868626560000000, 0.662651610000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 10 coordinates: [ 0.534391430000000, 0.240228950000000, 0.964132920000000 ] mass: 174.966800 reduced_to: 2 - symbol: Lu # 11 coordinates: [ 0.465608570000000, 0.240228950000000, 0.535867080000000 ] mass: 174.966800 reduced_to: 3 - symbol: Lu # 12 coordinates: [ 0.364608830000000, 0.131373440000000, 0.162651610000000 ] mass: 174.966800 reduced_to: 4 - symbol: Lu # 13 coordinates: [ 0.635391170000000, 0.868626560000000, 0.837348390000000 ] mass: 174.966800 reduced_to: 5 - symbol: Lu # 14 coordinates: [ 0.534391430000000, 0.759771050000000, 0.464132920000000 ] mass: 174.966800 reduced_to: 6 - symbol: Lu # 15 coordinates: [ 0.465608570000000, 0.759771050000000, 0.035867080000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 16 coordinates: [ 0.635391170000000, 0.131373440000000, 0.337348390000000 ] mass: 174.966800 reduced_to: 8 - symbol: Ge # 17 coordinates: [ 0.686744130000000, 0.596881870000000, 0.309056890000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 18 coordinates: [ 0.813255870000000, 0.096881870000000, 0.190943110000000 ] mass: 72.640000 reduced_to: 18 - symbol: Ge # 19 coordinates: [ 0.186744130000000, 0.903118130000000, 0.809056890000000 ] mass: 72.640000 reduced_to: 19 - symbol: Ge # 20 coordinates: [ 0.313255870000000, 0.403118130000000, 0.690943110000000 ] mass: 72.640000 reduced_to: 20 - symbol: Ge # 21 coordinates: [ 0.186744130000000, 0.096881870000000, 0.309056890000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 22 coordinates: [ 0.313255870000000, 0.596881870000000, 0.190943110000000 ] mass: 72.640000 reduced_to: 18 - symbol: Ge # 23 coordinates: [ 0.686744130000000, 0.403118130000000, 0.809056890000000 ] mass: 72.640000 reduced_to: 19 - symbol: Ge # 24 coordinates: [ 0.813255870000000, 0.903118130000000, 0.690943110000000 ] mass: 72.640000 reduced_to: 20 - symbol: O # 25 coordinates: [ 0.581921310000000, 0.506219470000000, 0.129820680000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.793819450000000, 0.076239690000000, 0.548487840000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.884495630000000, 0.696286290000000, 0.675984010000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.692493990000000, 0.157988370000000, 0.175562960000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.807506010000000, 0.657988370000000, 0.324437040000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.017299540000000, 0.399850120000000, 0.898375460000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.982700460000000, 0.399850120000000, 0.601624540000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.918078690000000, 0.006219470000000, 0.370179320000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.793819450000000, 0.923760310000000, 0.048487840000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.115504370000000, 0.696286290000000, 0.824015990000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.884495630000000, 0.303713710000000, 0.175984010000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.206180550000000, 0.076239690000000, 0.951512160000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.081921310000000, 0.993780530000000, 0.629820680000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.017299540000000, 0.600149880000000, 0.398375460000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.982700460000000, 0.600149880000000, 0.101624540000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.192493990000000, 0.342011630000000, 0.675562960000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.307506010000000, 0.842011630000000, 0.824437040000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.115504370000000, 0.303713710000000, 0.324015990000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.206180550000000, 0.923760310000000, 0.451512160000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.418078690000000, 0.493780530000000, 0.870179320000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.081921310000000, 0.006219470000000, 0.129820680000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 46 coordinates: [ 0.293819450000000, 0.576239690000000, 0.548487840000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 47 coordinates: [ 0.384495630000000, 0.196286290000000, 0.675984010000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 48 coordinates: [ 0.192493990000000, 0.657988370000000, 0.175562960000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 49 coordinates: [ 0.307506010000000, 0.157988370000000, 0.324437040000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 50 coordinates: [ 0.517299540000000, 0.899850120000000, 0.898375460000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 51 coordinates: [ 0.482700460000000, 0.899850120000000, 0.601624540000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 52 coordinates: [ 0.418078690000000, 0.506219470000000, 0.370179320000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 53 coordinates: [ 0.293819450000000, 0.423760310000000, 0.048487840000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 54 coordinates: [ 0.615504370000000, 0.196286290000000, 0.824015990000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 55 coordinates: [ 0.384495630000000, 0.803713710000000, 0.175984010000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 56 coordinates: [ 0.706180550000000, 0.576239690000000, 0.951512160000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 57 coordinates: [ 0.581921310000000, 0.493780530000000, 0.629820680000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 58 coordinates: [ 0.517299540000000, 0.100149880000000, 0.398375460000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 59 coordinates: [ 0.482700460000000, 0.100149880000000, 0.101624540000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 60 coordinates: [ 0.692493990000000, 0.842011630000000, 0.675562960000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 61 coordinates: [ 0.807506010000000, 0.342011630000000, 0.824437040000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 62 coordinates: [ 0.615504370000000, 0.803713710000000, 0.324015990000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 63 coordinates: [ 0.706180550000000, 0.423760310000000, 0.451512160000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 64 coordinates: [ 0.918078690000000, 0.993780530000000, 0.870179320000000 ] mass: 15.999400 reduced_to: 44supercell: lattice: - [ 14.637501029999999, 0.000000000000000, 0.035899370000000 ] # a - [ 0.000000000000000, 13.298685160000000, 0.000000000000000 ] # b - [ -5.376044100000000, 0.000000000000000, 8.573045380000000 ] # c points: - symbol: Lu # 1 coordinates: [ 0.864608830000000, 0.184313280000000, 0.662651610000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 2 coordinates: [ 0.864608830000000, 0.684313280000000, 0.662651610000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 3 coordinates: [ 0.034391430000000, 0.370114475000000, 0.964132920000000 ] mass: 174.966800 reduced_to: 3 - symbol: Lu # 4 coordinates: [ 0.034391430000000, 0.870114475000000, 0.964132920000000 ] mass: 174.966800 reduced_to: 3 - symbol: Lu # 5 coordinates: [ 0.965608570000000, 0.370114475000000, 0.535867080000000 ] mass: 174.966800 reduced_to: 5 - symbol: Lu # 6 coordinates: [ 0.965608570000000, 0.870114475000000, 0.535867080000000 ] mass: 174.966800 reduced_to: 5 - symbol: Lu # 7 coordinates: [ 0.864608830000000, 0.315686720000000, 0.162651610000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 8 coordinates: [ 0.864608830000000, 0.815686720000000, 0.162651610000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 9 coordinates: [ 0.135391170000000, 0.184313280000000, 0.837348390000000 ] mass: 174.966800 reduced_to: 9 - symbol: Lu # 10 coordinates: [ 0.135391170000000, 0.684313280000000, 0.837348390000000 ] mass: 174.966800 reduced_to: 9 - symbol: Lu # 11 coordinates: [ 0.034391430000000, 0.129885525000000, 0.464132920000000 ] mass: 174.966800 reduced_to: 11 - symbol: Lu # 12 coordinates: [ 0.034391430000000, 0.629885525000000, 0.464132920000000 ] mass: 174.966800 reduced_to: 11 - symbol: Lu # 13 coordinates: [ 0.965608570000000, 0.129885525000000, 0.035867080000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 14 coordinates: [ 0.965608570000000, 0.629885525000000, 0.035867080000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 15 coordinates: [ 0.135391170000000, 0.315686720000000, 0.337348390000000 ] mass: 174.966800 reduced_to: 15 - symbol: Lu # 16 coordinates: [ 0.135391170000000, 0.815686720000000, 0.337348390000000 ] mass: 174.966800 reduced_to: 15 - symbol: Lu # 17 coordinates: [ 0.364608830000000, 0.434313280000000, 0.662651610000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 18 coordinates: [ 0.364608830000000, 0.934313280000000, 0.662651610000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 19 coordinates: [ 0.534391430000000, 0.120114475000000, 0.964132920000000 ] mass: 174.966800 reduced_to: 3 - symbol: Lu # 20 coordinates: [ 0.534391430000000, 0.620114475000000, 0.964132920000000 ] mass: 174.966800 reduced_to: 3 - symbol: Lu # 21 coordinates: [ 0.465608570000000, 0.120114475000000, 0.535867080000000 ] mass: 174.966800 reduced_to: 5 - symbol: Lu # 22 coordinates: [ 0.465608570000000, 0.620114475000000, 0.535867080000000 ] mass: 174.966800 reduced_to: 5 - symbol: Lu # 23 coordinates: [ 0.364608830000000, 0.065686720000000, 0.162651610000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 24 coordinates: [ 0.364608830000000, 0.565686720000000, 0.162651610000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 25 coordinates: [ 0.635391170000000, 0.434313280000000, 0.837348390000000 ] mass: 174.966800 reduced_to: 9 - symbol: Lu # 26 coordinates: [ 0.635391170000000, 0.934313280000000, 0.837348390000000 ] mass: 174.966800 reduced_to: 9 - symbol: Lu # 27 coordinates: [ 0.534391430000000, 0.379885525000000, 0.464132920000000 ] mass: 174.966800 reduced_to: 11 - symbol: Lu # 28 coordinates: [ 0.534391430000000, 0.879885525000000, 0.464132920000000 ] mass: 174.966800 reduced_to: 11 - symbol: Lu # 29 coordinates: [ 0.465608570000000, 0.379885525000000, 0.035867080000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 30 coordinates: [ 0.465608570000000, 0.879885525000000, 0.035867080000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 31 coordinates: [ 0.635391170000000, 0.065686720000000, 0.337348390000000 ] mass: 174.966800 reduced_to: 15 - symbol: Lu # 32 coordinates: [ 0.635391170000000, 0.565686720000000, 0.337348390000000 ] mass: 174.966800 reduced_to: 15 - symbol: Ge # 33 coordinates: [ 0.686744130000000, 0.298440935000000, 0.309056890000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.686744130000000, 0.798440935000000, 0.309056890000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 35 coordinates: [ 0.813255870000000, 0.048440935000000, 0.190943110000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 36 coordinates: [ 0.813255870000000, 0.548440935000000, 0.190943110000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 37 coordinates: [ 0.186744130000000, 0.451559065000000, 0.809056890000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 38 coordinates: [ 0.186744130000000, 0.951559065000000, 0.809056890000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 39 coordinates: [ 0.313255870000000, 0.201559065000000, 0.690943110000000 ] mass: 72.640000 reduced_to: 39 - symbol: Ge # 40 coordinates: [ 0.313255870000000, 0.701559065000000, 0.690943110000000 ] mass: 72.640000 reduced_to: 39 - symbol: Ge # 41 coordinates: [ 0.186744130000000, 0.048440935000000, 0.309056890000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 42 coordinates: [ 0.186744130000000, 0.548440935000000, 0.309056890000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 43 coordinates: [ 0.313255870000000, 0.298440935000000, 0.190943110000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 44 coordinates: [ 0.313255870000000, 0.798440935000000, 0.190943110000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 45 coordinates: [ 0.686744130000000, 0.201559065000000, 0.809056890000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 46 coordinates: [ 0.686744130000000, 0.701559065000000, 0.809056890000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 47 coordinates: [ 0.813255870000000, 0.451559065000000, 0.690943110000000 ] mass: 72.640000 reduced_to: 39 - symbol: Ge # 48 coordinates: [ 0.813255870000000, 0.951559065000000, 0.690943110000000 ] mass: 72.640000 reduced_to: 39 - symbol: O # 49 coordinates: [ 0.581921310000000, 0.253109735000000, 0.129820680000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.581921310000000, 0.753109735000000, 0.129820680000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.793819450000000, 0.038119845000000, 0.548487840000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.793819450000000, 0.538119845000000, 0.548487840000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.884495630000000, 0.348143145000000, 0.675984010000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.884495630000000, 0.848143145000000, 0.675984010000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.692493990000000, 0.078994185000000, 0.175562960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.692493990000000, 0.578994185000000, 0.175562960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.807506010000000, 0.328994185000000, 0.324437040000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.807506010000000, 0.828994185000000, 0.324437040000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.017299540000000, 0.199925060000000, 0.898375460000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.017299540000000, 0.699925060000000, 0.898375460000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.982700460000000, 0.199925060000000, 0.601624540000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.982700460000000, 0.699925060000000, 0.601624540000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.918078690000000, 0.003109735000000, 0.370179320000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.918078690000000, 0.503109735000000, 0.370179320000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.793819450000000, 0.461880155000000, 0.048487840000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.793819450000000, 0.961880155000000, 0.048487840000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.115504370000000, 0.348143145000000, 0.824015990000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.115504370000000, 0.848143145000000, 0.824015990000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.884495630000000, 0.151856855000000, 0.175984010000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.884495630000000, 0.651856855000000, 0.175984010000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.206180550000000, 0.038119845000000, 0.951512160000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.206180550000000, 0.538119845000000, 0.951512160000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.081921310000000, 0.496890265000000, 0.629820680000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.081921310000000, 0.996890265000000, 0.629820680000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.017299540000000, 0.300074940000000, 0.398375460000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.017299540000000, 0.800074940000000, 0.398375460000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.982700460000000, 0.300074940000000, 0.101624540000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.982700460000000, 0.800074940000000, 0.101624540000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.192493990000000, 0.171005815000000, 0.675562960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.192493990000000, 0.671005815000000, 0.675562960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.307506010000000, 0.421005815000000, 0.824437040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.307506010000000, 0.921005815000000, 0.824437040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.115504370000000, 0.151856855000000, 0.324015990000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.115504370000000, 0.651856855000000, 0.324015990000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.206180550000000, 0.461880155000000, 0.451512160000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.206180550000000, 0.961880155000000, 0.451512160000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.418078690000000, 0.246890265000000, 0.870179320000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.418078690000000, 0.746890265000000, 0.870179320000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.081921310000000, 0.003109735000000, 0.129820680000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 90 coordinates: [ 0.081921310000000, 0.503109735000000, 0.129820680000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 91 coordinates: [ 0.293819450000000, 0.288119845000000, 0.548487840000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 92 coordinates: [ 0.293819450000000, 0.788119845000000, 0.548487840000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 93 coordinates: [ 0.384495630000000, 0.098143145000000, 0.675984010000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 94 coordinates: [ 0.384495630000000, 0.598143145000000, 0.675984010000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 95 coordinates: [ 0.192493990000000, 0.328994185000000, 0.175562960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 96 coordinates: [ 0.192493990000000, 0.828994185000000, 0.175562960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 97 coordinates: [ 0.307506010000000, 0.078994185000000, 0.324437040000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.307506010000000, 0.578994185000000, 0.324437040000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 99 coordinates: [ 0.517299540000000, 0.449925060000000, 0.898375460000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.517299540000000, 0.949925060000000, 0.898375460000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 101 coordinates: [ 0.482700460000000, 0.449925060000000, 0.601624540000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.482700460000000, 0.949925060000000, 0.601624540000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 103 coordinates: [ 0.418078690000000, 0.253109735000000, 0.370179320000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.418078690000000, 0.753109735000000, 0.370179320000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 105 coordinates: [ 0.293819450000000, 0.211880155000000, 0.048487840000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.293819450000000, 0.711880155000000, 0.048487840000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 107 coordinates: [ 0.615504370000000, 0.098143145000000, 0.824015990000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.615504370000000, 0.598143145000000, 0.824015990000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 109 coordinates: [ 0.384495630000000, 0.401856855000000, 0.175984010000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.384495630000000, 0.901856855000000, 0.175984010000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 111 coordinates: [ 0.706180550000000, 0.288119845000000, 0.951512160000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.706180550000000, 0.788119845000000, 0.951512160000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 113 coordinates: [ 0.581921310000000, 0.246890265000000, 0.629820680000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.581921310000000, 0.746890265000000, 0.629820680000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 115 coordinates: [ 0.517299540000000, 0.050074940000000, 0.398375460000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.517299540000000, 0.550074940000000, 0.398375460000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 117 coordinates: [ 0.482700460000000, 0.050074940000000, 0.101624540000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.482700460000000, 0.550074940000000, 0.101624540000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 119 coordinates: [ 0.692493990000000, 0.421005815000000, 0.675562960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.692493990000000, 0.921005815000000, 0.675562960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 121 coordinates: [ 0.807506010000000, 0.171005815000000, 0.824437040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 122 coordinates: [ 0.807506010000000, 0.671005815000000, 0.824437040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 123 coordinates: [ 0.615504370000000, 0.401856855000000, 0.324015990000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 124 coordinates: [ 0.615504370000000, 0.901856855000000, 0.324015990000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 125 coordinates: [ 0.706180550000000, 0.211880155000000, 0.451512160000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 126 coordinates: [ 0.706180550000000, 0.711880155000000, 0.451512160000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 127 coordinates: [ 0.918078690000000, 0.496890265000000, 0.870179320000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 128 coordinates: [ 0.918078690000000, 0.996890265000000, 0.870179320000000 ] mass: 15.999400 reduced_to: 87displacements:- atom: 1 displacement: [ 0.0099999699248486, 0.0000000000000000, 0.0000245255402261 ] forces: - [ -0.1766971300000000, -0.0229499000000000, -0.0004632100000000 ] - [ -0.0007204100000000, 0.0014950900000000, -0.0000764700000000 ] - [ -0.0053670000000000, 0.0072557900000000, 0.0048632800000000 ] - [ -0.0022733800000000, -0.0006845600000000, -0.0005337900000000 ] - [ 0.0042827800000000, 0.0237938800000000, -0.0103113000000000 ] - [ -0.0040009500000000, -0.0040216000000000, -0.0012341700000000 ] - [ -0.0035414400000000, -0.0006617300000000, -0.0083988500000000 ] - [ -0.0006298600000000, 0.0002171300000000, -0.0015908200000000 ] - [ 0.0298134700000000, -0.0009972500000000, 0.0233033700000000 ] - [ -0.0008262900000000, 0.0005182800000000, 0.0002348800000000 ] - [ 0.0184781500000000, -0.0074928200000000, -0.0153246800000000 ] - [ 0.0000425700000000, 0.0019800300000000, -0.0004351900000000 ] - [ -0.0198311300000000, 0.0005404800000000, -0.0117585200000000 ] - [ -0.0008424200000000, 0.0015353500000000, -0.0007577700000000 ] - [ 0.0019680400000000, 0.0013285700000000, -0.0006537500000000 ] - [ 0.0000027300000000, -0.0004760000000000, -0.0006733300000000 ] - [ 0.0038371600000000, 0.0005460000000000, 0.0010214500000000 ] - [ 0.0038430100000000, 0.0001164600000000, 0.0009240900000000 ] - [ 0.0035334500000000, 0.0004588200000000, 0.0006889200000000 ] - [ 0.0004824000000000, -0.0007424300000000, 0.0002826300000000 ] - [ 0.0061810700000000, 0.0016909200000000, 0.0031817100000000 ] - [ 0.0011821500000000, -0.0008369500000000, 0.0004330100000000 ] - [ 0.0049947700000000, -0.0013716100000000, 0.0046933800000000 ] - [ 0.0023836700000000, 0.0000882500000000, 0.0017837600000000 ] - [ 0.0009749800000000, -0.0043787900000000, -0.0008390900000000 ] - [ 0.0009864600000000, 0.0040205200000000, -0.0017284400000000 ] - [ 0.0040499000000000, -0.0046673200000000, 0.0031729200000000 ] - [ 0.0016941000000000, 0.0027252500000000, 0.0014473800000000 ] - [ 0.0031330400000000, -0.0006605900000000, 0.0025894000000000 ] - [ 0.0015965100000000, 0.0012130600000000, 0.0013547700000000 ] - [ 0.0023597400000000, 0.0104229600000000, 0.0116824200000000 ] - [ -0.0017355400000000, -0.0017719400000000, -0.0005678900000000 ] - [ -0.0100918300000000, -0.0129966400000000, 0.0116141500000000 ] - [ -0.0016662900000000, 0.0014028600000000, 0.0010576700000000 ] - [ -0.0035400700000000, 0.0002873500000000, -0.0070206200000000 ] - [ -0.0012038500000000, -0.0001149800000000, -0.0029506300000000 ] - [ 0.0041040800000000, 0.0041409900000000, 0.0015186500000000 ] - [ 0.0027209100000000, -0.0039162700000000, 0.0037704700000000 ] - [ 0.0068589000000000, 0.0008524200000000, 0.0010550800000000 ] - [ 0.0012564400000000, 0.0000650200000000, -0.0001341900000000 ] - [ 0.0024484200000000, -0.0020336200000000, 0.0007043400000000 ] - [ 0.0009854200000000, 0.0008160000000000, 0.0010459200000000 ] - [ 0.0028205200000000, 0.0008757900000000, 0.0039745200000000 ] - [ 0.0007554400000000, 0.0000312300000000, 0.0005527500000000 ] - [ 0.0297466500000000, -0.0048840000000000, -0.0055114800000000 ] - [ -0.0006949400000000, 0.0006050200000000, 0.0001093400000000 ] - [ -0.0078510700000000, -0.0025667300000000, -0.0018783200000000 ] - [ -0.0036132400000000, 0.0141468100000000, -0.0050869500000000 ] - [ -0.0008486100000000, 0.0016811100000000, -0.0048671200000000 ] - [ 0.0000503200000000, -0.0004637000000000, -0.0001203100000000 ] - [ 0.0107711900000000, 0.0008275900000000, 0.0038777500000000 ] - [ 0.0016555400000000, -0.0020152900000000, 0.0011784500000000 ] - [ 0.0139904700000000, -0.0009073400000000, 0.0001166800000000 ] - [ 0.0021517700000000, -0.0029523300000000, 0.0008157400000000 ] - [ 0.0030936000000000, -0.0012667000000000, -0.0004736900000000 ] - [ 0.0010700800000000, -0.0002252900000000, 0.0002150700000000 ] - [ 0.0080562500000000, 0.0009091000000000, 0.0038467200000000 ] - [ 0.0013186500000000, -0.0001448900000000, 0.0005862900000000 ] - [ 0.0194604200000000, -0.0004295600000000, -0.0041694100000000 ] - [ 0.0006826500000000, -0.0006303400000000, 0.0001199300000000 ] - [ 0.0564971500000000, 0.0046969200000000, -0.0096065200000000 ] - [ 0.0010027900000000, -0.0003793400000000, 0.0000169400000000 ] - [ 0.0021038100000000, 0.0033943200000000, 0.0038618200000000 ] - [ 0.0007186500000000, -0.0019878300000000, 0.0025432400000000 ] - [ 0.0009274600000000, 0.0015591000000000, 0.0018662500000000 ] - [ 0.0007354900000000, -0.0001425300000000, 0.0029351200000000 ] - [ -0.0019645400000000, -0.0061565600000000, -0.0025970900000000 ] - [ 0.0012249200000000, 0.0018302400000000, -0.0009627000000000 ] - [ 0.0013464900000000, -0.0005708900000000, 0.0054028700000000 ] - [ 0.0001724600000000, -0.0004527100000000, 0.0008937600000000 ] - [ -0.0026702600000000, 0.0025538200000000, -0.0031470400000000 ] - [ -0.0008889000000000, -0.0024568400000000, -0.0015294900000000 ] - [ -0.0015615400000000, -0.0028172300000000, 0.0000775500000000 ] - [ -0.0023407600000000, 0.0063785400000000, -0.0006314600000000 ] - [ -0.0036453100000000, -0.0039126400000000, 0.0063989400000000 ] - [ 0.0001093800000000, 0.0006320200000000, 0.0006321300000000 ] - [ 0.0048986000000000, 0.0004707100000000, 0.0011508100000000 ] - [ 0.0003876800000000, -0.0000562100000000, 0.0005274700000000 ] - [ -0.0079772800000000, -0.0000668700000000, -0.0009277100000000 ] - [ -0.0005258600000000, -0.0001863200000000, -0.0003011900000000 ] - [ -0.0031236300000000, -0.0000714400000000, -0.0006607800000000 ] - [ -0.0030126800000000, 0.0011182900000000, -0.0008587300000000 ] - [ -0.0032899400000000, 0.0001708600000000, 0.0026925800000000 ] - [ 0.0000259900000000, -0.0004118100000000, -0.0000541600000000 ] - [ -0.0009956100000000, -0.0000395800000000, -0.0006356200000000 ] - [ -0.0013911900000000, 0.0013602300000000, -0.0002353400000000 ] - [ -0.0024429700000000, 0.0000060200000000, -0.0022446700000000 ] - [ -0.0005304100000000, 0.0000488200000000, -0.0007970300000000 ] - [ 0.0008937300000000, 0.0004600000000000, 0.0010030400000000 ] - [ 0.0001150700000000, -0.0012826900000000, -0.0005353500000000 ] - [ -0.0019157500000000, -0.0013497300000000, -0.0006173200000000 ] - [ -0.0004916700000000, -0.0006615900000000, -0.0001979600000000 ] - [ -0.0034749700000000, 0.0005246400000000, -0.0003756200000000 ] - [ -0.0009379300000000, 0.0000337900000000, -0.0001411000000000 ] - [ -0.0012947200000000, -0.0008678600000000, -0.0019566200000000 ] - [ 0.0000447000000000, -0.0000892700000000, -0.0001051500000000 ] - [ -0.0025023300000000, -0.0001631200000000, -0.0012379800000000 ] - [ -0.0012958200000000, -0.0005306400000000, -0.0003929600000000 ] - [ -0.0014855700000000, 0.0004056600000000, -0.0004806900000000 ] - [ -0.0018029900000000, -0.0011997700000000, -0.0003579100000000 ] - [ -0.0020153300000000, 0.0011051400000000, 0.0000317200000000 ] - [ -0.0018603200000000, -0.0010704500000000, -0.0000902500000000 ] - [ -0.0020521800000000, 0.0003233700000000, -0.0035680700000000 ] - [ -0.0005359500000000, -0.0003929300000000, -0.0009821200000000 ] - [ -0.0034774200000000, 0.0000088100000000, -0.0055966100000000 ] - [ -0.0003168300000000, 0.0003728900000000, -0.0006984600000000 ] - [ -0.0063086800000000, -0.0032882200000000, 0.0008571900000000 ] - [ -0.0000482800000000, 0.0006589300000000, 0.0001623900000000 ] - [ -0.0016009100000000, -0.0003288800000000, -0.0012862700000000 ] - [ -0.0011102900000000, 0.0000334600000000, -0.0010041200000000 ] - [ -0.0037482400000000, 0.0045224300000000, 0.0048542600000000 ] - [ 0.0003532700000000, -0.0013798000000000, 0.0007354800000000 ] - [ -0.0072951600000000, 0.0023033500000000, -0.0023118200000000 ] - [ -0.0003494400000000, -0.0007650100000000, 0.0003112800000000 ] - [ -0.0035287800000000, -0.0013413300000000, -0.0022440900000000 ] - [ -0.0006767200000000, 0.0011616700000000, -0.0008097000000000 ] - [ -0.0023123700000000, -0.0005679500000000, -0.0016989200000000 ] - [ -0.0007474300000000, 0.0006035200000000, -0.0003204700000000 ] - [ 0.0025436200000000, 0.0036091400000000, 0.0003009600000000 ] - [ -0.0004775600000000, -0.0021697700000000, 0.0000436500000000 ] - [ 0.0224807300000000, 0.0011494900000000, -0.0064182600000000 ] - [ 0.0006239700000000, -0.0002002600000000, 0.0005651700000000 ] - [ -0.0003554300000000, 0.0050215000000000, -0.0022102600000000 ] - [ 0.0001441000000000, -0.0028444800000000, -0.0010070300000000 ] - [ 0.0203107100000000, -0.0013857400000000, 0.0110039500000000 ] - [ 0.0005195900000000, 0.0002147500000000, 0.0002970600000000 ] - [ 0.0019539700000000, -0.0019873600000000, -0.0004550800000000 ] - [ 0.0064031600000000, -0.0024837000000000, 0.0028671700000000 ]- atom: 1 displacement: [ -0.0099999699248486, 0.0000000000000000, -0.0000245255402261 ] forces: - [ 0.1747400100000000, 0.0226302600000000, 0.0009362300000000 ] - [ 0.0019258800000000, -0.0014456400000000, 0.0004616800000000 ] - [ 0.0052786500000000, -0.0083627900000000, -0.0045535400000000 ] - [ 0.0021982500000000, -0.0003975500000000, 0.0008815900000000 ] - [ -0.0042555300000000, -0.0246857800000000, 0.0098909700000000 ] - [ 0.0039892800000000, 0.0028986200000000, 0.0008666700000000 ] - [ 0.0047435200000000, 0.0006280200000000, 0.0087666900000000 ] - [ 0.0018410500000000, -0.0002582300000000, 0.0019687700000000 ] - [ -0.0306205700000000, 0.0010408900000000, -0.0233472600000000 ] - [ -0.0003903100000000, -0.0004862100000000, -0.0006140700000000 ] - [ -0.0183455700000000, 0.0085502600000000, 0.0155560600000000 ] - [ -0.0000874300000000, -0.0008767900000000, 0.0008014600000000 ] - [ 0.0199142100000000, 0.0005463500000000, 0.0112794700000000 ] - [ 0.0008820600000000, -0.0004385300000000, 0.0003833100000000 ] - [ -0.0031721200000000, -0.0013628700000000, 0.0002602800000000 ] - [ -0.0012122700000000, 0.0004378500000000, 0.0002813300000000 ] - [ -0.0026298000000000, -0.0005021800000000, -0.0006287100000000 ] - [ -0.0026241300000000, -0.0000894700000000, -0.0005448600000000 ] - [ -0.0035720000000000, -0.0015583300000000, -0.0003042500000000 ] - [ -0.0005199100000000, -0.0003533500000000, 0.0000903800000000 ] - [ -0.0061520500000000, -0.0028171800000000, -0.0035604800000000 ] - [ -0.0011400800000000, -0.0002590800000000, -0.0007975000000000 ] - [ -0.0037684900000000, 0.0013217700000000, -0.0043001700000000 ] - [ -0.0011747300000000, -0.0001175500000000, -0.0014032300000000 ] - [ -0.0021815500000000, 0.0044242200000000, 0.0004669800000000 ] - [ -0.0021798800000000, -0.0039925400000000, 0.0013420700000000 ] - [ -0.0040816400000000, 0.0057956300000000, -0.0028242700000000 ] - [ -0.0017186400000000, -0.0016244400000000, -0.0010705800000000 ] - [ -0.0030813300000000, 0.0017570700000000, -0.0029478200000000 ] - [ -0.0015500900000000, -0.0001149400000000, -0.0017076200000000 ] - [ -0.0034896500000000, -0.0104679000000000, -0.0120542300000000 ] - [ 0.0005373900000000, 0.0017411800000000, 0.0001894500000000 ] - [ 0.0100939900000000, 0.0127229300000000, -0.0103770700000000 ] - [ 0.0016651100000000, -0.0016197400000000, 0.0001536400000000 ] - [ 0.0035194300000000, -0.0005106400000000, 0.0058022100000000 ] - [ 0.0012012300000000, -0.0001062700000000, 0.0017412300000000 ] - [ -0.0040960300000000, -0.0038961300000000, -0.0003164600000000 ] - [ -0.0027063500000000, 0.0041103600000000, -0.0025424500000000 ] - [ -0.0068335900000000, -0.0006173500000000, -0.0022501000000000 ] - [ -0.0012548700000000, 0.0001568500000000, -0.0010620900000000 ] - [ -0.0024550400000000, 0.0017966800000000, 0.0004845700000000 ] - [ -0.0009860700000000, -0.0010381200000000, 0.0001457800000000 ] - [ -0.0028305800000000, -0.0010852400000000, -0.0051678900000000 ] - [ -0.0007623300000000, -0.0002606500000000, -0.0017474700000000 ] - [ -0.0299041500000000, 0.0050851100000000, 0.0068944700000000 ] - [ 0.0007050300000000, -0.0003771500000000, 0.0010908900000000 ] - [ 0.0079395000000000, 0.0027207200000000, 0.0006756100000000 ] - [ 0.0037023900000000, -0.0138231200000000, 0.0038521900000000 ] - [ 0.0006849700000000, -0.0017444900000000, 0.0053739700000000 ] - [ -0.0001978400000000, 0.0003931700000000, 0.0006720100000000 ] - [ -0.0105260600000000, -0.0021343700000000, -0.0036854000000000 ] - [ -0.0014905700000000, 0.0006727200000000, -0.0010154100000000 ] - [ -0.0141984500000000, 0.0006931500000000, -0.0000009700000000 ] - [ -0.0024354200000000, 0.0029513800000000, -0.0006927600000000 ] - [ -0.0025460000000000, 0.0008531700000000, 0.0002037000000000 ] - [ -0.0005272100000000, -0.0001929200000000, -0.0004789900000000 ] - [ -0.0085482900000000, -0.0013357400000000, -0.0035714500000000 ] - [ -0.0018558700000000, -0.0002638000000000, -0.0003307300000000 ] - [ -0.0191967900000000, 0.0001250600000000, 0.0041965700000000 ] - [ -0.0006641000000000, 0.0003044600000000, -0.0002975400000000 ] - [ -0.0522658700000000, -0.0044956400000000, 0.0086596700000000 ] - [ -0.0010032100000000, 0.0000581900000000, 0.0001637300000000 ] - [ -0.0019465000000000, -0.0034407400000000, -0.0043941000000000 ] - [ -0.0005621000000000, 0.0019065400000000, -0.0030901500000000 ] - [ -0.0007491600000000, -0.0001969700000000, -0.0016994800000000 ] - [ -0.0005589600000000, 0.0014992200000000, -0.0027634900000000 ] - [ 0.0022899200000000, 0.0061594500000000, 0.0024636000000000 ] - [ -0.0009057400000000, -0.0017808700000000, 0.0008442500000000 ] - [ -0.0016650400000000, 0.0005282400000000, -0.0052675200000000 ] - [ -0.0004796600000000, 0.0004096100000000, -0.0007755600000000 ] - [ 0.0024849800000000, -0.0038842300000000, 0.0029723000000000 ] - [ 0.0007115200000000, 0.0010743400000000, 0.0013469700000000 ] - [ 0.0014178900000000, 0.0028755800000000, 0.0004865200000000 ] - [ 0.0021660800000000, -0.0062513100000000, 0.0011862800000000 ] - [ 0.0036425400000000, 0.0042095700000000, -0.0065606700000000 ] - [ -0.0000984400000000, -0.0003036300000000, -0.0008098700000000 ] - [ -0.0049075900000000, -0.0001471900000000, -0.0009599100000000 ] - [ -0.0003994100000000, 0.0003763000000000, -0.0003385500000000 ] - [ 0.0084983400000000, 0.0004777200000000, 0.0006687400000000 ] - [ 0.0010748600000000, 0.0005992200000000, 0.0000483400000000 ] - [ 0.0025514000000000, 0.0004839600000000, 0.0009148200000000 ] - [ 0.0024557300000000, -0.0006950200000000, 0.0011114200000000 ] - [ 0.0035853000000000, -0.0002115900000000, -0.0027843400000000 ] - [ 0.0002908700000000, 0.0003745900000000, -0.0000544500000000 ] - [ 0.0008159700000000, 0.0013944300000000, 0.0004726500000000 ] - [ 0.0012053200000000, 0.0000117000000000, 0.0000801300000000 ] - [ 0.0025691600000000, 0.0000596600000000, 0.0016639900000000 ] - [ 0.0006777000000000, 0.0000191000000000, 0.0002403200000000 ] - [ -0.0010387700000000, -0.0005272200000000, -0.0004387000000000 ] - [ -0.0002587300000000, 0.0012123600000000, 0.0010982900000000 ] - [ 0.0020853400000000, -0.0000289600000000, 0.0007989200000000 ] - [ 0.0006721300000000, -0.0006900500000000, 0.0003616200000000 ] - [ 0.0031457500000000, -0.0004665400000000, 0.0004884900000000 ] - [ 0.0006236700000000, 0.0000051900000000, 0.0002518800000000 ] - [ 0.0018489500000000, 0.0004520200000000, 0.0017014400000000 ] - [ 0.0004977100000000, -0.0003278600000000, -0.0001485000000000 ] - [ 0.0019589900000000, -0.0002533900000000, 0.0014992000000000 ] - [ 0.0007452900000000, 0.0001180400000000, 0.0006478800000000 ] - [ 0.0014963900000000, -0.0007323900000000, 0.0002954300000000 ] - [ 0.0018062000000000, 0.0008757500000000, 0.0001745500000000 ] - [ 0.0020104400000000, -0.0014327400000000, 0.0001518800000000 ] - [ 0.0018457500000000, 0.0007500600000000, 0.0002663400000000 ] - [ 0.0022025200000000, -0.0003990400000000, 0.0030172700000000 ] - [ 0.0006847100000000, 0.0003228400000000, 0.0004270200000000 ] - [ 0.0036421500000000, 0.0013418900000000, 0.0057248600000000 ] - [ 0.0005027000000000, 0.0009771700000000, 0.0008538800000000 ] - [ 0.0066108200000000, 0.0033369700000000, -0.0009899500000000 ] - [ 0.0003577600000000, -0.0006190300000000, -0.0002826100000000 ] - [ 0.0012852000000000, 0.0002855000000000, 0.0013961800000000 ] - [ 0.0008043900000000, -0.0000649600000000, 0.0011178600000000 ] - [ 0.0035558800000000, -0.0058513000000000, -0.0050228800000000 ] - [ -0.0005333700000000, 0.0000181600000000, -0.0009046000000000 ] - [ 0.0071924000000000, -0.0022397100000000, 0.0028594600000000 ] - [ 0.0002022000000000, 0.0008350700000000, 0.0002453500000000 ] - [ 0.0035256900000000, 0.0016723500000000, 0.0020702700000000 ] - [ 0.0006796600000000, -0.0008415300000000, 0.0006274800000000 ] - [ 0.0022848200000000, 0.0008880800000000, 0.0018679500000000 ] - [ 0.0007376000000000, -0.0002789700000000, 0.0004982700000000 ] - [ -0.0020244300000000, -0.0032186300000000, -0.0005582600000000 ] - [ 0.0009764900000000, 0.0025770000000000, -0.0002980600000000 ] - [ -0.0246266200000000, -0.0009037000000000, 0.0080098700000000 ] - [ -0.0011854200000000, 0.0006131000000000, -0.0003032100000000 ] - [ 0.0006476900000000, -0.0050444000000000, 0.0020920900000000 ] - [ 0.0001547700000000, 0.0027942900000000, 0.0008801400000000 ] - [ -0.0208292100000000, 0.0028666300000000, -0.0119012900000000 ] - [ -0.0007013600000000, 0.0011406200000000, -0.0004673300000000 ] - [ -0.0018124500000000, 0.0020859300000000, -0.0000807400000000 ] - [ -0.0062681700000000, 0.0025003800000000, -0.0033682500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0219994300000000, -0.1501828700000000, -0.0052063800000000 ] - [ 0.0020651000000000, 0.0105372800000000, 0.0013749400000000 ] - [ 0.0058064900000000, 0.0016306900000000, 0.0183490300000000 ] - [ -0.0047909100000000, 0.0065471800000000, -0.0056432100000000 ] - [ 0.0226277700000000, 0.0070945700000000, -0.0118278100000000 ] - [ -0.0063634600000000, 0.0052817700000000, 0.0019828500000000 ] - [ 0.0012620200000000, -0.0024570500000000, -0.0015930500000000 ] - [ 0.0003534900000000, 0.0028681500000000, 0.0000194500000000 ] - [ 0.0003336000000000, -0.0088598000000000, 0.0001245100000000 ] - [ -0.0010992500000000, 0.0035351900000000, -0.0002705300000000 ] - [ -0.0016633100000000, -0.0052351200000000, -0.0004636500000000 ] - [ 0.0003925100000000, 0.0042426300000000, 0.0001055300000000 ] - [ -0.0007384000000000, -0.0109205300000000, -0.0101990700000000 ] - [ -0.0002396700000000, 0.0066506900000000, 0.0014991400000000 ] - [ 0.0007419000000000, -0.0011433500000000, 0.0007314300000000 ] - [ -0.0010528600000000, 0.0015031400000000, -0.0010188900000000 ] - [ 0.0007046400000000, 0.0001018300000000, 0.0001496400000000 ] - [ 0.0011206700000000, 0.0001113300000000, 0.0004195200000000 ] - [ 0.0005308100000000, -0.0034483600000000, 0.0010609100000000 ] - [ -0.0001906500000000, 0.0017113200000000, -0.0000155300000000 ] - [ 0.0013332900000000, -0.0037342200000000, -0.0005335200000000 ] - [ -0.0001789300000000, 0.0021197300000000, 0.0000068900000000 ] - [ 0.0019469600000000, -0.0020574000000000, 0.0009826100000000 ] - [ 0.0004944700000000, 0.0016908600000000, 0.0002909600000000 ] - [ -0.0046302300000000, 0.0001982300000000, 0.0017753500000000 ] - [ 0.0037987200000000, 0.0002176300000000, -0.0019000300000000 ] - [ -0.0039043300000000, -0.0010205500000000, -0.0025647100000000 ] - [ 0.0037354300000000, 0.0035081500000000, 0.0027317100000000 ] - [ 0.0001099600000000, -0.0002084600000000, -0.0007996300000000 ] - [ 0.0003114400000000, 0.0018863900000000, 0.0009119700000000 ] - [ 0.0097869300000000, -0.0054695800000000, 0.0166767500000000 ] - [ -0.0023542200000000, 0.0034943000000000, -0.0032389100000000 ] - [ -0.0062252700000000, -0.0028124300000000, -0.0101477200000000 ] - [ 0.0003587900000000, 0.0047167500000000, 0.0019358700000000 ] - [ -0.0016113600000000, -0.0030360000000000, 0.0014313600000000 ] - [ 0.0000993200000000, 0.0026276500000000, -0.0016083500000000 ] - [ 0.0027052000000000, 0.0025664100000000, 0.0015638800000000 ] - [ -0.0015277300000000, -0.0000209900000000, -0.0009053500000000 ] - [ 0.0007764100000000, -0.0015484100000000, -0.0003178400000000 ] - [ 0.0001532500000000, 0.0016945200000000, -0.0005538900000000 ] - [ 0.0001193600000000, -0.0023072800000000, -0.0006536000000000 ] - [ 0.0002973500000000, 0.0016482200000000, 0.0016751700000000 ] - [ 0.0012245800000000, -0.0014943400000000, -0.0000742400000000 ] - [ -0.0004708000000000, 0.0014467300000000, -0.0003879400000000 ] - [ 0.0009109200000000, -0.0056755800000000, 0.0016664500000000 ] - [ -0.0003242200000000, 0.0038440000000000, 0.0002353700000000 ] - [ -0.0156491200000000, 0.0294667100000000, 0.0018518400000000 ] - [ 0.0138390300000000, 0.0365868300000000, -0.0100930900000000 ] - [ 0.0005724500000000, 0.0020757600000000, 0.0013440100000000 ] - [ -0.0000302800000000, -0.0019873500000000, -0.0004616600000000 ] - [ 0.0000329500000000, 0.0283028900000000, 0.0108147600000000 ] - [ 0.0014686400000000, -0.0106323700000000, 0.0032719500000000 ] - [ 0.0026421100000000, 0.0434111500000000, 0.0000529200000000 ] - [ 0.0028966900000000, -0.0107590000000000, 0.0009191800000000 ] - [ 0.0006571600000000, 0.0015070400000000, -0.0024013500000000 ] - [ 0.0005978600000000, -0.0014078500000000, 0.0005830800000000 ] - [ -0.0007197600000000, 0.0004590000000000, 0.0058894200000000 ] - [ -0.0000427000000000, -0.0020639300000000, -0.0010425200000000 ] - [ 0.0013634400000000, 0.0158440400000000, 0.0007579900000000 ] - [ -0.0004225200000000, -0.0038337000000000, 0.0000984500000000 ] - [ 0.0027674400000000, 0.0143560200000000, -0.0004661100000000 ] - [ 0.0005942100000000, -0.0030515500000000, 0.0000155500000000 ] - [ 0.0029947700000000, 0.0009586500000000, -0.0019919700000000 ] - [ -0.0007784300000000, -0.0023795200000000, 0.0009745000000000 ] - [ 0.0005484200000000, 0.0001161200000000, -0.0001522100000000 ] - [ -0.0006852700000000, 0.0007012800000000, 0.0006590300000000 ] - [ -0.0042085500000000, 0.0006677300000000, -0.0017236200000000 ] - [ 0.0016288800000000, -0.0013091600000000, 0.0001958200000000 ] - [ 0.0004942900000000, 0.0028487800000000, 0.0003173500000000 ] - [ -0.0003660000000000, -0.0022979200000000, 0.0002486200000000 ] - [ 0.0001959600000000, 0.0009970000000000, 0.0001783200000000 ] - [ -0.0004454200000000, -0.0024835900000000, -0.0007036700000000 ] - [ -0.0019112100000000, -0.0026614800000000, 0.0000821500000000 ] - [ 0.0023563900000000, 0.0010626000000000, 0.0003362400000000 ] - [ -0.0031442600000000, 0.0030922300000000, 0.0020700700000000 ] - [ 0.0011463900000000, -0.0017566900000000, -0.0004477400000000 ] - [ 0.0007210300000000, 0.0032381700000000, -0.0017153600000000 ] - [ -0.0003817100000000, -0.0027421900000000, 0.0014017500000000 ] - [ -0.0004109500000000, 0.0014080400000000, 0.0001846300000000 ] - [ -0.0000058800000000, -0.0008335600000000, -0.0003546200000000 ] - [ -0.0015140200000000, 0.0001265000000000, -0.0000361000000000 ] - [ 0.0001073900000000, -0.0000062800000000, 0.0002325200000000 ] - [ -0.0006409900000000, 0.0020395200000000, 0.0006712400000000 ] - [ 0.0004759800000000, -0.0018147600000000, -0.0004030700000000 ] - [ -0.0003570600000000, 0.0003122200000000, -0.0003834700000000 ] - [ -0.0000155800000000, 0.0008609300000000, 0.0002928100000000 ] - [ -0.0003330500000000, 0.0013364600000000, -0.0002572400000000 ] - [ 0.0001298100000000, -0.0011440900000000, -0.0005901300000000 ] - [ 0.0009919200000000, 0.0015179600000000, 0.0029711900000000 ] - [ -0.0003270000000000, -0.0018275600000000, -0.0015752300000000 ] - [ -0.0001743600000000, 0.0001400000000000, -0.0004077900000000 ] - [ 0.0000089100000000, -0.0015581900000000, 0.0003492800000000 ] - [ -0.0008690300000000, 0.0011403400000000, 0.0000608900000000 ] - [ 0.0000491500000000, -0.0009885400000000, -0.0000356400000000 ] - [ -0.0013266700000000, 0.0007640100000000, -0.0017146900000000 ] - [ 0.0011572800000000, -0.0009784700000000, 0.0010220300000000 ] - [ -0.0002690600000000, 0.0007364800000000, 0.0004274400000000 ] - [ -0.0006813300000000, -0.0010368100000000, -0.0002287100000000 ] - [ 0.0007882200000000, -0.0005645400000000, -0.0001653000000000 ] - [ -0.0010682800000000, -0.0000154400000000, -0.0002229800000000 ] - [ 0.0014974200000000, -0.0007121300000000, 0.0002994600000000 ] - [ -0.0017332200000000, 0.0002609800000000, -0.0000386800000000 ] - [ 0.0001317200000000, 0.0017666900000000, -0.0006402800000000 ] - [ -0.0002746000000000, -0.0017226300000000, -0.0003040700000000 ] - [ -0.0007568100000000, 0.0023315100000000, -0.0005633300000000 ] - [ 0.0003158800000000, -0.0007784300000000, -0.0001017900000000 ] - [ -0.0001544800000000, 0.0019513900000000, -0.0002483400000000 ] - [ 0.0002708700000000, -0.0017888900000000, 0.0000098500000000 ] - [ -0.0000667700000000, -0.0000037700000000, 0.0001463000000000 ] - [ -0.0006713400000000, -0.0003521500000000, -0.0003387400000000 ] - [ -0.0005449300000000, 0.0018021700000000, 0.0007419700000000 ] - [ -0.0001526500000000, -0.0024971400000000, -0.0001253200000000 ] - [ 0.0007251200000000, 0.0029876600000000, -0.0004151700000000 ] - [ -0.0007915300000000, -0.0026322800000000, 0.0004763200000000 ] - [ -0.0033202000000000, 0.0012611700000000, -0.0007636400000000 ] - [ 0.0010347400000000, -0.0010423000000000, 0.0002579600000000 ] - [ -0.0012676000000000, 0.0004240700000000, -0.0024929000000000 ] - [ 0.0001379000000000, -0.0006046500000000, 0.0007766100000000 ] - [ 0.0095832500000000, -0.0025534000000000, -0.0001394400000000 ] - [ -0.0087861500000000, -0.0047273900000000, 0.0011029900000000 ] - [ 0.0016532500000000, 0.0086700600000000, -0.0003320100000000 ] - [ 0.0004177900000000, -0.0023502600000000, 0.0004189900000000 ] - [ 0.0012043700000000, 0.0006533700000000, 0.0018285900000000 ] - [ -0.0011072100000000, -0.0027415800000000, -0.0029244900000000 ] - [ -0.0058909700000000, 0.0178900900000000, -0.0105812600000000 ] - [ -0.0002670500000000, -0.0030330000000000, 0.0000930800000000 ] - [ 0.0011739300000000, -0.0092362200000000, -0.0073790400000000 ] - [ -0.0015454000000000, -0.0110058700000000, 0.0127581800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0235695200000000, 0.1492538300000000, 0.0068491500000000 ] - [ -0.0008370200000000, -0.0104914600000000, -0.0009911200000000 ] - [ -0.0057852100000000, -0.0027895200000000, -0.0178185100000000 ] - [ 0.0047740800000000, -0.0076755100000000, 0.0060558100000000 ] - [ -0.0223437300000000, -0.0081823700000000, 0.0113421600000000 ] - [ 0.0064385200000000, -0.0064008500000000, -0.0023787100000000 ] - [ -0.0000223400000000, 0.0023938900000000, 0.0019667700000000 ] - [ 0.0008648900000000, -0.0028999900000000, 0.0003670100000000 ] - [ -0.0017420100000000, 0.0089016600000000, -0.0005599100000000 ] - [ -0.0001181700000000, -0.0035033800000000, -0.0001125200000000 ] - [ 0.0015572900000000, 0.0063847000000000, 0.0008661900000000 ] - [ -0.0004323800000000, -0.0031448700000000, 0.0002676500000000 ] - [ 0.0008316200000000, 0.0121587200000000, 0.0096989000000000 ] - [ 0.0002827300000000, -0.0055378000000000, -0.0018530100000000 ] - [ -0.0019781900000000, 0.0010875500000000, -0.0011264500000000 ] - [ -0.0001729600000000, -0.0015335100000000, 0.0006439600000000 ] - [ 0.0005139600000000, -0.0000771100000000, 0.0002457700000000 ] - [ 0.0001017600000000, -0.0000748100000000, -0.0000384700000000 ] - [ -0.0005666300000000, 0.0023414800000000, -0.0006879200000000 ] - [ 0.0001426800000000, -0.0028169300000000, 0.0003901500000000 ] - [ -0.0012752300000000, 0.0026416700000000, 0.0001627200000000 ] - [ 0.0002199100000000, -0.0032240900000000, -0.0003817500000000 ] - [ -0.0007252000000000, 0.0020350300000000, -0.0005963400000000 ] - [ 0.0007232100000000, -0.0017270400000000, 0.0000925200000000 ] - [ 0.0033734600000000, -0.0001840600000000, -0.0021381600000000 ] - [ -0.0050417200000000, -0.0001653200000000, 0.0015200600000000 ] - [ 0.0038334600000000, 0.0020859900000000, 0.0029200800000000 ] - [ -0.0037882100000000, -0.0023957500000000, -0.0023713800000000 ] - [ -0.0000623800000000, 0.0013014500000000, 0.0004186100000000 ] - [ -0.0002644800000000, -0.0007706300000000, -0.0012843000000000 ] - [ -0.0110389700000000, 0.0054774400000000, -0.0171130400000000 ] - [ 0.0011202400000000, -0.0035182500000000, 0.0028264100000000 ] - [ 0.0062166000000000, 0.0024833700000000, 0.0113255500000000 ] - [ -0.0003738500000000, -0.0049390100000000, -0.0007427500000000 ] - [ 0.0016222300000000, 0.0028392800000000, -0.0026306400000000 ] - [ -0.0000920300000000, -0.0028589500000000, 0.0004010200000000 ] - [ -0.0027046700000000, -0.0023450600000000, -0.0003587900000000 ] - [ 0.0015303600000000, 0.0002696300000000, 0.0021165900000000 ] - [ -0.0007890900000000, 0.0017781500000000, -0.0008823900000000 ] - [ -0.0001353900000000, -0.0014566600000000, -0.0006445900000000 ] - [ -0.0001310700000000, 0.0021013100000000, 0.0018513000000000 ] - [ -0.0003076700000000, -0.0018864900000000, -0.0004677000000000 ] - [ -0.0012247800000000, 0.0012476800000000, -0.0011348500000000 ] - [ 0.0004819600000000, -0.0016697200000000, -0.0008127300000000 ] - [ -0.0007965800000000, 0.0058696600000000, -0.0004823000000000 ] - [ 0.0003036500000000, -0.0036119700000000, 0.0009717900000000 ] - [ 0.0155549700000000, -0.0288940600000000, -0.0030084700000000 ] - [ -0.0140329700000000, -0.0367722100000000, 0.0088668600000000 ] - [ -0.0006893200000000, -0.0021079600000000, -0.0007309700000000 ] - [ -0.0000905600000000, 0.0019224800000000, 0.0010594300000000 ] - [ -0.0003884600000000, -0.0319672300000000, -0.0118530500000000 ] - [ -0.0012994900000000, 0.0092314900000000, -0.0030960900000000 ] - [ -0.0026015600000000, -0.0399107300000000, 0.0002588900000000 ] - [ -0.0032260400000000, 0.0108473800000000, -0.0007873000000000 ] - [ -0.0000887400000000, -0.0019365200000000, 0.0021422000000000 ] - [ -0.0000651500000000, 0.0009988400000000, -0.0008401200000000 ] - [ 0.0001147700000000, -0.0008624800000000, -0.0055963100000000 ] - [ -0.0005332800000000, 0.0016414100000000, 0.0013072700000000 ] - [ -0.0013491800000000, -0.0162133700000000, -0.0008911600000000 ] - [ 0.0004341000000000, 0.0035017700000000, -0.0002828700000000 ] - [ -0.0031140900000000, -0.0146989900000000, 0.0006494300000000 ] - [ -0.0006194200000000, 0.0027209800000000, 0.0001669000000000 ] - [ -0.0028818200000000, -0.0010407400000000, 0.0014022700000000 ] - [ 0.0009185000000000, 0.0023156100000000, -0.0015313400000000 ] - [ -0.0003789400000000, 0.0012599600000000, 0.0003147100000000 ] - [ 0.0008586300000000, 0.0006636400000000, -0.0004858400000000 ] - [ 0.0045070100000000, -0.0005791200000000, 0.0016006100000000 ] - [ -0.0013105600000000, 0.0013666800000000, -0.0003114100000000 ] - [ -0.0008438800000000, -0.0029200700000000, -0.0001909300000000 ] - [ 0.0000458400000000, 0.0022487600000000, -0.0001404000000000 ] - [ -0.0003553200000000, -0.0023939600000000, -0.0003572200000000 ] - [ 0.0002650500000000, 0.0011176800000000, 0.0005301300000000 ] - [ 0.0017662000000000, 0.0027359400000000, 0.0004857000000000 ] - [ -0.0025082500000000, -0.0010257800000000, 0.0002612100000000 ] - [ 0.0031515900000000, -0.0027289500000000, -0.0022413400000000 ] - [ -0.0011383000000000, 0.0020844500000000, 0.0002698700000000 ] - [ -0.0007428200000000, -0.0028769300000000, 0.0019041100000000 ] - [ 0.0003703100000000, 0.0030737300000000, -0.0012338200000000 ] - [ 0.0010423100000000, -0.0009842400000000, -0.0004437100000000 ] - [ 0.0005360400000000, 0.0012494300000000, 0.0000870300000000 ] - [ 0.0009933600000000, 0.0002836300000000, 0.0002963500000000 ] - [ -0.0006678900000000, 0.0004290100000000, 0.0000266100000000 ] - [ 0.0009376100000000, -0.0020432300000000, -0.0007774300000000 ] - [ -0.0001278800000000, 0.0017315600000000, 0.0002878200000000 ] - [ 0.0002008100000000, 0.0010886900000000, 0.0001851200000000 ] - [ -0.0001829200000000, 0.0004603500000000, -0.0004083800000000 ] - [ 0.0004455400000000, -0.0012713700000000, -0.0003574900000000 ] - [ 0.0000126600000000, 0.0012147800000000, 0.0000309700000000 ] - [ -0.0011602000000000, -0.0016442000000000, -0.0024765300000000 ] - [ 0.0001981500000000, 0.0017802200000000, 0.0021724700000000 ] - [ 0.0003455600000000, -0.0015363600000000, 0.0006118900000000 ] - [ 0.0001620300000000, 0.0002087800000000, -0.0001957900000000 ] - [ 0.0005163400000000, -0.0010539800000000, 0.0000642100000000 ] - [ -0.0003691800000000, 0.0010350400000000, 0.0001442900000000 ] - [ 0.0018939800000000, -0.0011715700000000, 0.0014574900000000 ] - [ -0.0006252500000000, 0.0005590700000000, -0.0012949500000000 ] - [ -0.0002110800000000, -0.0011384500000000, -0.0001599900000000 ] - [ 0.0001033800000000, 0.0006170400000000, 0.0004860700000000 ] - [ -0.0007688200000000, 0.0002342100000000, -0.0000157000000000 ] - [ 0.0010843200000000, -0.0003212200000000, 0.0000439400000000 ] - [ -0.0014973300000000, 0.0003860300000000, -0.0001168100000000 ] - [ 0.0017279700000000, -0.0006011600000000, 0.0002194200000000 ] - [ -0.0000003500000000, -0.0018227300000000, 0.0000492300000000 ] - [ 0.0004159600000000, 0.0016489300000000, -0.0002663100000000 ] - [ 0.0009464400000000, -0.0009387400000000, 0.0007707600000000 ] - [ -0.0001410800000000, 0.0021335400000000, 0.0002600100000000 ] - [ 0.0004578300000000, -0.0019094300000000, 0.0001367700000000 ] - [ 0.0000970900000000, 0.0018893200000000, -0.0001333000000000 ] - [ -0.0002686000000000, -0.0000638800000000, -0.0000215700000000 ] - [ 0.0003558600000000, 0.0002964400000000, 0.0004543600000000 ] - [ 0.0003512700000000, -0.0031378000000000, -0.0008954200000000 ] - [ -0.0000070200000000, 0.0010901500000000, -0.0000813000000000 ] - [ -0.0008838400000000, -0.0028959100000000, 0.0009737000000000 ] - [ 0.0006776300000000, 0.0026907600000000, 0.0001342000000000 ] - [ 0.0033403600000000, -0.0009387700000000, 0.0005861000000000 ] - [ -0.0010161200000000, 0.0013783500000000, -0.0004296500000000 ] - [ 0.0012541700000000, -0.0000988900000000, 0.0026765900000000 ] - [ -0.0001452800000000, 0.0009366900000000, -0.0005935100000000 ] - [ -0.0089401000000000, 0.0029552400000000, -0.0001241500000000 ] - [ 0.0093744900000000, 0.0051518000000000, -0.0013486600000000 ] - [ -0.0020544700000000, -0.0082188500000000, 0.0004008300000000 ] - [ -0.0010164000000000, 0.0027768100000000, -0.0001654000000000 ] - [ -0.0008513600000000, -0.0007285500000000, -0.0019402700000000 ] - [ 0.0014398900000000, 0.0026484700000000, 0.0028019100000000 ] - [ 0.0057834600000000, -0.0167312500000000, 0.0105046500000000 ] - [ 0.0000990800000000, 0.0044057000000000, -0.0002615700000000 ] - [ -0.0010508500000000, 0.0092696200000000, 0.0067741400000000 ] - [ 0.0017114200000000, 0.0111277900000000, -0.0134618300000000 ]- atom: 1 displacement: [ -0.0053126970990986, 0.0000000000000000, 0.0084720274747683 ] forces: - [ 0.0937791200000000, 0.0070534800000000, -0.1381039500000000 ] - [ 0.0010884600000000, 0.0002316000000000, -0.0006500400000000 ] - [ 0.0049169700000000, 0.0110500700000000, 0.0034988800000000 ] - [ 0.0028348100000000, -0.0046313600000000, 0.0007142800000000 ] - [ -0.0080821100000000, -0.0225323900000000, 0.0006198600000000 ] - [ 0.0002807300000000, 0.0033876200000000, -0.0006604200000000 ] - [ -0.0044833600000000, 0.0018623200000000, 0.0105749800000000 ] - [ -0.0002474800000000, -0.0000031100000000, 0.0021108300000000 ] - [ 0.0031125400000000, 0.0002634800000000, -0.0207211100000000 ] - [ -0.0001342200000000, -0.0001912500000000, -0.0007803500000000 ] - [ -0.0179480700000000, 0.0062253200000000, 0.0118407100000000 ] - [ -0.0007005700000000, -0.0002306000000000, 0.0004084500000000 ] - [ 0.0002356600000000, -0.0098937500000000, 0.0371883700000000 ] - [ -0.0003154300000000, 0.0008512600000000, 0.0001542000000000 ] - [ -0.0023632000000000, 0.0000589900000000, 0.0036377900000000 ] - [ -0.0013390300000000, -0.0004785100000000, 0.0010671200000000 ] - [ -0.0004859000000000, -0.0000731000000000, 0.0005506000000000 ] - [ -0.0004095600000000, -0.0000832800000000, 0.0005936500000000 ] - [ -0.0031172600000000, 0.0000965100000000, 0.0042623000000000 ] - [ -0.0004374300000000, -0.0004950200000000, 0.0009085400000000 ] - [ -0.0015897400000000, -0.0026715100000000, -0.0035546500000000 ] - [ -0.0000623000000000, -0.0003410000000000, -0.0004430800000000 ] - [ 0.0020951100000000, 0.0000339400000000, -0.0002091800000000 ] - [ 0.0010123700000000, -0.0001534100000000, -0.0002633600000000 ] - [ -0.0027474500000000, 0.0038190100000000, 0.0000893400000000 ] - [ -0.0020051500000000, -0.0037922000000000, 0.0005566700000000 ] - [ 0.0027684500000000, 0.0015216100000000, -0.0040239600000000 ] - [ 0.0007450400000000, 0.0006523600000000, -0.0010728200000000 ] - [ 0.0007557100000000, -0.0006970000000000, 0.0014614500000000 ] - [ -0.0001060400000000, 0.0008901400000000, 0.0003261300000000 ] - [ 0.0078535700000000, 0.0087896500000000, 0.0060104900000000 ] - [ -0.0003191300000000, -0.0016579800000000, -0.0010824500000000 ] - [ 0.0053067900000000, -0.0109178800000000, 0.0158579400000000 ] - [ -0.0000030800000000, 0.0008164600000000, 0.0006944500000000 ] - [ -0.0036377000000000, -0.0003875100000000, 0.0070125400000000 ] - [ -0.0005657500000000, -0.0008501300000000, 0.0016809800000000 ] - [ -0.0005675000000000, -0.0003260300000000, -0.0003565800000000 ] - [ -0.0004294500000000, 0.0012064500000000, -0.0029409900000000 ] - [ -0.0028999400000000, -0.0001555100000000, 0.0000458600000000 ] - [ -0.0004620000000000, 0.0001145100000000, -0.0003482900000000 ] - [ 0.0000785100000000, 0.0006387100000000, 0.0038417200000000 ] - [ 0.0000756600000000, 0.0001145500000000, 0.0015345800000000 ] - [ 0.0019443200000000, 0.0000280900000000, -0.0012685900000000 ] - [ 0.0008590900000000, -0.0001848100000000, -0.0009084600000000 ] - [ -0.0317987200000000, 0.0062774300000000, 0.0022589900000000 ] - [ -0.0000708600000000, 0.0001009500000000, 0.0005729700000000 ] - [ 0.0016389000000000, 0.0035550300000000, -0.0027320700000000 ] - [ 0.0020683100000000, -0.0063848400000000, -0.0167143300000000 ] - [ -0.0007647000000000, 0.0002354500000000, -0.0039197800000000 ] - [ -0.0000916500000000, -0.0002764000000000, -0.0001236900000000 ] - [ -0.0032630100000000, 0.0082370100000000, 0.0168611900000000 ] - [ -0.0001738500000000, -0.0013176000000000, 0.0014384300000000 ] - [ -0.0078090100000000, -0.0043640000000000, 0.0106831400000000 ] - [ -0.0009406100000000, -0.0002476200000000, 0.0032443700000000 ] - [ 0.0014898200000000, -0.0010837800000000, -0.0038853400000000 ] - [ 0.0003865700000000, 0.0000918600000000, -0.0006978700000000 ] - [ 0.0021544300000000, 0.0044049200000000, -0.0065585200000000 ] - [ -0.0003070900000000, -0.0008577300000000, -0.0004464700000000 ] - [ -0.0104663800000000, -0.0003417900000000, 0.0179486200000000 ] - [ -0.0003835100000000, 0.0001890200000000, 0.0004520600000000 ] - [ -0.0311774300000000, -0.0036380300000000, 0.0203151900000000 ] - [ -0.0003689700000000, -0.0003190100000000, 0.0004468000000000 ] - [ 0.0010592800000000, -0.0027637300000000, -0.0040726100000000 ] - [ 0.0006805000000000, 0.0023463900000000, -0.0018565500000000 ] - [ 0.0004456600000000, -0.0002419300000000, -0.0016898200000000 ] - [ 0.0013452200000000, 0.0012918400000000, -0.0029362000000000 ] - [ -0.0014073000000000, 0.0009965100000000, 0.0038351700000000 ] - [ -0.0008712200000000, -0.0006947900000000, 0.0012015900000000 ] - [ 0.0035147900000000, 0.0005249200000000, -0.0067590800000000 ] - [ 0.0002967700000000, 0.0004024500000000, -0.0007332200000000 ] - [ -0.0010488600000000, -0.0006652900000000, 0.0012581400000000 ] - [ -0.0002263400000000, -0.0001819100000000, 0.0005762600000000 ] - [ 0.0009682100000000, 0.0014227900000000, 0.0013880100000000 ] - [ 0.0017385000000000, -0.0039217800000000, 0.0020272400000000 ] - [ 0.0046602600000000, 0.0029887900000000, -0.0052789800000000 ] - [ 0.0008000600000000, -0.0004415000000000, -0.0007824000000000 ] - [ 0.0009640700000000, -0.0035809600000000, -0.0062431200000000 ] - [ 0.0006565700000000, 0.0010874100000000, -0.0008389700000000 ] - [ 0.0036153300000000, 0.0004297800000000, 0.0024255000000000 ] - [ 0.0005835500000000, 0.0003944100000000, 0.0000019800000000 ] - [ 0.0000760000000000, 0.0002992100000000, 0.0000176400000000 ] - [ 0.0004964300000000, -0.0000690700000000, 0.0005726100000000 ] - [ 0.0027898500000000, -0.0000034900000000, -0.0041310400000000 ] - [ 0.0005582500000000, -0.0001726300000000, -0.0005591900000000 ] - [ 0.0002469500000000, 0.0007665400000000, -0.0005523700000000 ] - [ 0.0004457700000000, 0.0007870800000000, -0.0012274800000000 ] - [ 0.0007547500000000, 0.0000662000000000, -0.0007123700000000 ] - [ 0.0002212000000000, -0.0000037000000000, -0.0004147500000000 ] - [ -0.0018122100000000, 0.0026286500000000, -0.0027748000000000 ] - [ -0.0002277300000000, -0.0012101200000000, -0.0007133600000000 ] - [ 0.0006837700000000, -0.0002938500000000, -0.0007066000000000 ] - [ 0.0002234200000000, -0.0005344700000000, -0.0001930200000000 ] - [ 0.0015992500000000, -0.0003665300000000, -0.0002098200000000 ] - [ 0.0000998000000000, -0.0000721200000000, -0.0000906100000000 ] - [ -0.0007971400000000, -0.0007555100000000, -0.0015485700000000 ] - [ -0.0006057500000000, 0.0003055600000000, -0.0007820000000000 ] - [ -0.0006029200000000, -0.0002228800000000, 0.0000996000000000 ] - [ -0.0004868500000000, -0.0002684300000000, 0.0001007300000000 ] - [ 0.0012596700000000, -0.0002643100000000, -0.0007363500000000 ] - [ 0.0012004400000000, 0.0001193100000000, -0.0008239100000000 ] - [ 0.0006119600000000, -0.0007849700000000, 0.0006229300000000 ] - [ 0.0003163900000000, 0.0005457800000000, 0.0006685800000000 ] - [ -0.0002853800000000, -0.0001593100000000, 0.0011379600000000 ] - [ -0.0000848400000000, -0.0000108500000000, -0.0001088700000000 ] - [ 0.0001989800000000, 0.0011809700000000, 0.0020302600000000 ] - [ -0.0000677700000000, 0.0007943500000000, 0.0003062800000000 ] - [ 0.0081849800000000, 0.0034480000000000, -0.0011064100000000 ] - [ 0.0004834900000000, -0.0005778600000000, -0.0002594100000000 ] - [ -0.0009921000000000, -0.0001744000000000, 0.0004833900000000 ] - [ -0.0005198600000000, -0.0001824400000000, 0.0002328300000000 ] - [ 0.0053682600000000, -0.0059597900000000, -0.0046541000000000 ] - [ -0.0001332000000000, -0.0002213600000000, -0.0005073200000000 ] - [ 0.0051029500000000, -0.0024538100000000, 0.0055495400000000 ] - [ -0.0000334200000000, 0.0001271700000000, 0.0004420700000000 ] - [ -0.0026141300000000, -0.0001026100000000, 0.0012583600000000 ] - [ -0.0005640100000000, 0.0000698300000000, 0.0005025300000000 ] - [ -0.0006919100000000, -0.0000654600000000, -0.0014569200000000 ] - [ -0.0001964600000000, 0.0006349900000000, -0.0001730100000000 ] - [ -0.0001715600000000, -0.0017313300000000, 0.0013520900000000 ] - [ -0.0012607700000000, 0.0005866800000000, 0.0029897600000000 ] - [ -0.0281788800000000, -0.0016984300000000, 0.0268535500000000 ] - [ -0.0002818600000000, 0.0001082500000000, 0.0002833700000000 ] - [ -0.0023111000000000, 0.0040983900000000, -0.0008100000000000 ] - [ -0.0005085700000000, -0.0019090400000000, -0.0001638300000000 ] - [ 0.0018004400000000, -0.0019104700000000, 0.0167997100000000 ] - [ -0.0000540000000000, 0.0005093800000000, 0.0005091700000000 ] - [ 0.0001523000000000, -0.0003450500000000, 0.0010132200000000 ] - [ -0.0015741900000000, 0.0128348700000000, 0.0010688900000000 ]- atom: 1 displacement: [ 0.0053126970990986, 0.0000000000000000, -0.0084720274747683 ] forces: - [ -0.0924165400000000, -0.0069464700000000, 0.1365473100000000 ] - [ 0.0001165900000000, -0.0002024300000000, 0.0010287300000000 ] - [ -0.0049208800000000, -0.0120752600000000, -0.0031800900000000 ] - [ -0.0028786400000000, 0.0035180800000000, -0.0003590500000000 ] - [ 0.0081614600000000, 0.0215238900000000, -0.0009191000000000 ] - [ -0.0002591900000000, -0.0044970200000000, 0.0003138200000000 ] - [ 0.0056939300000000, -0.0018633400000000, -0.0101643800000000 ] - [ 0.0014554400000000, -0.0000525100000000, -0.0017337700000000 ] - [ -0.0043860900000000, -0.0002306800000000, 0.0202634500000000 ] - [ -0.0010784800000000, 0.0002245700000000, 0.0003925100000000 ] - [ 0.0179673800000000, -0.0051043800000000, -0.0114313100000000 ] - [ 0.0006476100000000, 0.0013339300000000, -0.0000225500000000 ] - [ -0.0001449700000000, 0.0107896100000000, -0.0370303400000000 ] - [ 0.0003600200000000, 0.0002475400000000, -0.0005384000000000 ] - [ 0.0011600400000000, -0.0001002900000000, -0.0039975500000000 ] - [ 0.0001279800000000, 0.0004432100000000, -0.0014339300000000 ] - [ 0.0017035100000000, 0.0001152700000000, -0.0001605100000000 ] - [ 0.0016144200000000, 0.0001092000000000, -0.0002190000000000 ] - [ 0.0030373400000000, -0.0011887600000000, -0.0038743100000000 ] - [ 0.0003917500000000, -0.0006051300000000, -0.0005397400000000 ] - [ 0.0016353500000000, 0.0015490500000000, 0.0031536400000000 ] - [ 0.0001112500000000, -0.0007566600000000, 0.0000805700000000 ] - [ -0.0008717700000000, -0.0000643500000000, 0.0005899700000000 ] - [ 0.0002050600000000, 0.0001109900000000, 0.0006412100000000 ] - [ 0.0015343500000000, -0.0037472200000000, -0.0004855700000000 ] - [ 0.0007950200000000, 0.0037929900000000, -0.0009452500000000 ] - [ -0.0027772500000000, -0.0004067500000000, 0.0043730300000000 ] - [ -0.0007762600000000, 0.0004500300000000, 0.0014460400000000 ] - [ -0.0007084400000000, 0.0017880000000000, -0.0018142400000000 ] - [ 0.0001523800000000, 0.0002114000000000, -0.0006841500000000 ] - [ -0.0090879300000000, -0.0087797000000000, -0.0063066700000000 ] - [ -0.0008872600000000, 0.0016136900000000, 0.0007132200000000 ] - [ -0.0054626200000000, 0.0106506200000000, -0.0146311000000000 ] - [ -0.0000015200000000, -0.0010339200000000, 0.0005133200000000 ] - [ 0.0036154400000000, 0.0001367100000000, -0.0082253300000000 ] - [ 0.0005580900000000, 0.0006404900000000, -0.0028769300000000 ] - [ 0.0005742500000000, 0.0005409900000000, 0.0015553900000000 ] - [ 0.0004326100000000, -0.0009839500000000, 0.0041420700000000 ] - [ 0.0028840000000000, 0.0003753000000000, -0.0012377500000000 ] - [ 0.0004558700000000, 0.0001076400000000, -0.0008506700000000 ] - [ -0.0000573100000000, -0.0008626900000000, -0.0026281100000000 ] - [ -0.0000668100000000, -0.0003356700000000, -0.0003341000000000 ] - [ -0.0019334900000000, -0.0002503400000000, 0.0000642400000000 ] - [ -0.0008598700000000, -0.0000373500000000, -0.0002929500000000 ] - [ 0.0314847600000000, -0.0060307500000000, -0.0009926300000000 ] - [ 0.0000847500000000, 0.0001210800000000, 0.0006210600000000 ] - [ -0.0015624500000000, -0.0034207300000000, 0.0015078400000000 ] - [ -0.0020115700000000, 0.0066876000000000, 0.0153641000000000 ] - [ 0.0006150900000000, -0.0003078700000000, 0.0043884800000000 ] - [ -0.0000669500000000, 0.0001883900000000, 0.0006317300000000 ] - [ 0.0033668300000000, -0.0096909500000000, -0.0166172800000000 ] - [ 0.0003437500000000, -0.0000017100000000, -0.0012953500000000 ] - [ 0.0074664300000000, 0.0041665100000000, -0.0104575100000000 ] - [ 0.0006552400000000, 0.0002378400000000, -0.0031082000000000 ] - [ -0.0008954100000000, 0.0006632400000000, 0.0036364700000000 ] - [ 0.0001355600000000, -0.0004988100000000, 0.0004422700000000 ] - [ -0.0026373600000000, -0.0048647800000000, 0.0068504400000000 ] - [ -0.0002130300000000, 0.0004550800000000, 0.0006915100000000 ] - [ 0.0106909100000000, 0.0000524900000000, -0.0176639600000000 ] - [ 0.0004068500000000, -0.0005096400000000, -0.0006315400000000 ] - [ 0.0337558300000000, 0.0036005800000000, -0.0206448600000000 ] - [ 0.0003610300000000, -0.0000046900000000, -0.0002615800000000 ] - [ -0.0009265900000000, 0.0027196200000000, 0.0035174700000000 ] - [ -0.0005208200000000, -0.0024427100000000, 0.0013391400000000 ] - [ -0.0002665300000000, 0.0015533200000000, 0.0018341700000000 ] - [ -0.0011700400000000, 0.0000869800000000, 0.0031092000000000 ] - [ 0.0016876800000000, -0.0010193100000000, -0.0039346300000000 ] - [ 0.0011514300000000, 0.0006847900000000, -0.0013077500000000 ] - [ -0.0038289300000000, -0.0005638200000000, 0.0068432600000000 ] - [ -0.0005928300000000, -0.0004102100000000, 0.0008431100000000 ] - [ 0.0008594100000000, -0.0006427700000000, -0.0013749800000000 ] - [ 0.0000320500000000, -0.0011214400000000, -0.0006808600000000 ] - [ -0.0011420600000000, -0.0013108400000000, -0.0009270600000000 ] - [ -0.0019133100000000, 0.0040232000000000, -0.0015467900000000 ] - [ -0.0046346500000000, -0.0026600900000000, 0.0050537100000000 ] - [ -0.0007818600000000, 0.0007729200000000, 0.0005946300000000 ] - [ -0.0010025800000000, 0.0038741200000000, 0.0063861500000000 ] - [ -0.0006741400000000, -0.0007508000000000, 0.0010268700000000 ] - [ -0.0030875500000000, -0.0000320700000000, -0.0026729600000000 ] - [ -0.0000621700000000, 0.0000192400000000, -0.0002532100000000 ] - [ -0.0005553500000000, 0.0000999400000000, 0.0002365200000000 ] - [ -0.0009907700000000, 0.0004716400000000, -0.0003195700000000 ] - [ -0.0025063200000000, 0.0000177200000000, 0.0039993700000000 ] - [ -0.0002146400000000, 0.0001090100000000, 0.0004466600000000 ] - [ -0.0004043200000000, 0.0006141300000000, 0.0003581000000000 ] - [ -0.0006364300000000, 0.0005298000000000, 0.0011012500000000 ] - [ -0.0005820200000000, 0.0000316000000000, 0.0002250800000000 ] - [ -0.0000622600000000, 0.0000926400000000, -0.0001073200000000 ] - [ 0.0016260200000000, -0.0026966100000000, 0.0032491000000000 ] - [ 0.0000914100000000, 0.0011372900000000, 0.0012911400000000 ] - [ -0.0004906000000000, -0.0010192700000000, 0.0008219600000000 ] - [ -0.0000490700000000, -0.0008001300000000, 0.0003422000000000 ] - [ -0.0018791200000000, 0.0003677300000000, 0.0003242500000000 ] - [ -0.0004034700000000, 0.0000893700000000, 0.0001962500000000 ] - [ 0.0013377800000000, 0.0003391600000000, 0.0013041300000000 ] - [ 0.0011196500000000, -0.0007136600000000, 0.0005275900000000 ] - [ 0.0000990800000000, -0.0001788700000000, 0.0001504200000000 ] - [ -0.0001070900000000, -0.0001576300000000, 0.0001458400000000 ] - [ -0.0012365700000000, -0.0000675900000000, 0.0005444200000000 ] - [ -0.0011784800000000, -0.0004425000000000, 0.0006382800000000 ] - [ -0.0006354700000000, 0.0004544800000000, -0.0004310500000000 ] - [ -0.0003372300000000, -0.0008688700000000, -0.0004798100000000 ] - [ 0.0004336400000000, 0.0000719800000000, -0.0016607200000000 ] - [ 0.0002481000000000, -0.0000803200000000, -0.0003974000000000 ] - [ -0.0000243600000000, 0.0001640800000000, -0.0018706000000000 ] - [ 0.0002528200000000, 0.0005319400000000, -0.0001702800000000 ] - [ -0.0078398700000000, -0.0033990100000000, 0.0009875700000000 ] - [ -0.0001978200000000, 0.0005782900000000, 0.0001482400000000 ] - [ 0.0006716900000000, 0.0001442200000000, -0.0003725200000000 ] - [ 0.0002289500000000, 0.0001732900000000, -0.0001256800000000 ] - [ -0.0055156000000000, 0.0045957100000000, 0.0044850200000000 ] - [ -0.0000541500000000, -0.0010964000000000, 0.0003759000000000 ] - [ -0.0052128900000000, 0.0025107100000000, -0.0049651100000000 ] - [ -0.0001361800000000, -0.0000367800000000, 0.0000623100000000 ] - [ 0.0026104000000000, 0.0004257800000000, -0.0014405500000000 ] - [ 0.0005740500000000, 0.0002579200000000, -0.0006900500000000 ] - [ 0.0006719500000000, 0.0003934500000000, 0.0016233600000000 ] - [ 0.0001739900000000, -0.0003064000000000, 0.0003551400000000 ] - [ 0.0006680700000000, 0.0021342500000000, -0.0015849500000000 ] - [ 0.0017431600000000, -0.0001851500000000, -0.0032150100000000 ] - [ 0.0253464000000000, 0.0019144600000000, -0.0249226800000000 ] - [ -0.0002328000000000, 0.0002980200000000, -0.0000262600000000 ] - [ 0.0026173700000000, -0.0040962300000000, 0.0006801900000000 ] - [ 0.0008036800000000, 0.0018734000000000, 0.0000395800000000 ] - [ -0.0023194400000000, 0.0033317800000000, -0.0174180600000000 ] - [ -0.0001258100000000, 0.0008230600000000, -0.0006536600000000 ] - [ -0.0000080600000000, 0.0004612500000000, -0.0015031100000000 ] - [ 0.0016953500000000, -0.0126640400000000, -0.0015176000000000 ]- atom: 3 displacement: [ 0.0099999699248486, 0.0000000000000000, 0.0000245255402261 ] forces: - [ -0.0047058900000000, 0.0058792000000000, 0.0026799300000000 ] - [ -0.0016578700000000, -0.0047973100000000, 0.0021644900000000 ] - [ -0.1489947500000000, 0.0133531100000000, 0.0143624700000000 ] - [ -0.0017274000000000, -0.0009122900000000, 0.0000773200000000 ] - [ -0.0077317500000000, -0.0016888800000000, -0.0130796200000000 ] - [ -0.0008932100000000, -0.0005221000000000, -0.0010202500000000 ] - [ 0.0189499200000000, 0.0015716800000000, -0.0093988000000000 ] - [ 0.0006564700000000, -0.0004211600000000, -0.0005680500000000 ] - [ 0.0036688200000000, -0.0225443100000000, -0.0071365900000000 ] - [ -0.0046001700000000, 0.0064326700000000, -0.0023811000000000 ] - [ 0.0000942300000000, 0.0008873600000000, -0.0039291600000000 ] - [ -0.0006462100000000, 0.0026938800000000, -0.0036302600000000 ] - [ -0.0064802300000000, 0.0159487900000000, 0.0028110200000000 ] - [ -0.0009052700000000, -0.0093710900000000, -0.0048952600000000 ] - [ -0.0204527600000000, -0.0008032100000000, -0.0123611100000000 ] - [ -0.0014526200000000, -0.0002761400000000, -0.0011333400000000 ] - [ 0.0041476800000000, 0.0005627300000000, -0.0012136900000000 ] - [ 0.0010873400000000, -0.0001500600000000, 0.0000123700000000 ] - [ 0.0023721200000000, -0.0008006300000000, 0.0005519500000000 ] - [ 0.0023668500000000, -0.0002418700000000, 0.0006052300000000 ] - [ 0.0010425300000000, -0.0015936100000000, 0.0022096200000000 ] - [ 0.0010483500000000, -0.0002944900000000, 0.0010355700000000 ] - [ 0.0022865000000000, -0.0037933800000000, 0.0021540200000000 ] - [ 0.0046536500000000, 0.0038771400000000, 0.0060210300000000 ] - [ 0.0055754000000000, -0.0012891400000000, 0.0017625500000000 ] - [ 0.0005755100000000, 0.0002150900000000, 0.0004391600000000 ] - [ 0.0037533000000000, 0.0019922800000000, 0.0056066300000000 ] - [ 0.0007712700000000, 0.0002211700000000, 0.0012529200000000 ] - [ 0.0057768600000000, 0.0000784400000000, 0.0013965200000000 ] - [ 0.0011711500000000, 0.0004235100000000, 0.0000965400000000 ] - [ 0.0009904400000000, 0.0002826700000000, 0.0006525600000000 ] - [ 0.0025229600000000, 0.0000698200000000, 0.0026411100000000 ] - [ 0.0023340000000000, 0.0004611700000000, 0.0025679600000000 ] - [ 0.0003833400000000, -0.0006558800000000, 0.0013380200000000 ] - [ 0.0017026900000000, 0.0019559600000000, -0.0013918500000000 ] - [ 0.0015135600000000, -0.0028229200000000, -0.0038785100000000 ] - [ 0.0214598700000000, 0.0158100900000000, -0.0104679100000000 ] - [ 0.0002803100000000, -0.0011792400000000, -0.0007975400000000 ] - [ 0.0022331200000000, -0.0008700400000000, -0.0016560100000000 ] - [ 0.0012300800000000, 0.0008532900000000, -0.0009824800000000 ] - [ -0.0028155000000000, -0.0003262500000000, 0.0003404800000000 ] - [ -0.0035877800000000, 0.0023297300000000, -0.0015979900000000 ] - [ 0.0179503500000000, -0.0060258600000000, 0.0108402100000000 ] - [ -0.0010732800000000, 0.0005984600000000, 0.0006597700000000 ] - [ 0.0043932200000000, 0.0020966700000000, 0.0034157000000000 ] - [ 0.0021053800000000, -0.0008464200000000, 0.0013164900000000 ] - [ 0.0091297800000000, -0.0049644500000000, 0.0233599900000000 ] - [ 0.0000564800000000, 0.0005294900000000, -0.0001277300000000 ] - [ -0.0014859500000000, 0.0003354800000000, -0.0005428200000000 ] - [ -0.0006427900000000, 0.0001000400000000, -0.0002526000000000 ] - [ 0.0000796400000000, -0.0010329800000000, -0.0006275800000000 ] - [ -0.0005143100000000, 0.0016597800000000, -0.0055955200000000 ] - [ 0.0099927500000000, -0.0030309400000000, -0.0080431000000000 ] - [ 0.0003716000000000, 0.0003989000000000, -0.0001194400000000 ] - [ -0.0010995900000000, -0.0004194700000000, -0.0002068700000000 ] - [ -0.0014469500000000, 0.0004882400000000, -0.0000880900000000 ] - [ -0.0019521200000000, -0.0000038500000000, 0.0024843500000000 ] - [ -0.0003281800000000, -0.0001197000000000, 0.0003197300000000 ] - [ 0.0192881700000000, 0.0041780600000000, -0.0001262900000000 ] - [ 0.0037998700000000, 0.0017710800000000, -0.0002405800000000 ] - [ 0.0032214700000000, 0.0014384600000000, 0.0038637500000000 ] - [ 0.0020341700000000, -0.0006391700000000, 0.0007080200000000 ] - [ 0.0001389000000000, -0.0006762500000000, 0.0009578600000000 ] - [ 0.0007487100000000, 0.0001989600000000, 0.0025189600000000 ] - [ -0.0039868500000000, 0.0033660300000000, 0.0011263200000000 ] - [ -0.0003140900000000, 0.0000511300000000, -0.0000433000000000 ] - [ 0.0153090100000000, -0.0028379500000000, -0.0012634400000000 ] - [ 0.0010704200000000, -0.0003577000000000, 0.0001924900000000 ] - [ -0.0018268100000000, -0.0039141600000000, 0.0016443600000000 ] - [ -0.0005154700000000, 0.0009649800000000, 0.0013627600000000 ] - [ -0.0005038800000000, 0.0022300900000000, -0.0004057800000000 ] - [ -0.0064574700000000, -0.0110019600000000, 0.0000055100000000 ] - [ -0.0001895200000000, -0.0057051800000000, 0.0082152300000000 ] - [ 0.0002564300000000, 0.0005497700000000, 0.0013354700000000 ] - [ 0.0004327700000000, -0.0001188300000000, 0.0064989400000000 ] - [ 0.0002906900000000, -0.0001641700000000, 0.0006184900000000 ] - [ 0.0388674900000000, 0.0136615300000000, -0.0164925000000000 ] - [ 0.0005071500000000, 0.0014250400000000, 0.0005948000000000 ] - [ -0.0010826000000000, 0.0016023000000000, 0.0020469000000000 ] - [ -0.0003898400000000, -0.0009527200000000, 0.0008747100000000 ] - [ -0.0080658900000000, -0.0006296900000000, 0.0009475400000000 ] - [ -0.0008581400000000, 0.0004367600000000, 0.0003336000000000 ] - [ 0.0023976200000000, -0.0018462600000000, 0.0022953200000000 ] - [ 0.0000317300000000, 0.0004740700000000, 0.0015697900000000 ] - [ 0.0010060300000000, 0.0003956700000000, 0.0014108500000000 ] - [ 0.0003087300000000, 0.0004449700000000, 0.0004556300000000 ] - [ -0.0015179400000000, 0.0009916300000000, -0.0001871200000000 ] - [ -0.0004935700000000, -0.0000728200000000, -0.0004385500000000 ] - [ 0.0015803100000000, -0.0008505700000000, 0.0010778300000000 ] - [ 0.0106995900000000, -0.0005458800000000, 0.0019764700000000 ] - [ 0.0013309000000000, -0.0008772400000000, 0.0017642400000000 ] - [ 0.0000213100000000, -0.0009605900000000, 0.0005507500000000 ] - [ -0.0008448700000000, 0.0005094200000000, 0.0000775700000000 ] - [ -0.0008839200000000, -0.0004147100000000, 0.0001106300000000 ] - [ 0.0197887800000000, -0.0022076100000000, 0.0055206000000000 ] - [ 0.0013991600000000, -0.0004013700000000, -0.0000891500000000 ] - [ 0.0008240000000000, 0.0009098400000000, -0.0006778000000000 ] - [ 0.0019377500000000, -0.0008170000000000, -0.0003306100000000 ] - [ -0.0034009900000000, -0.0005241500000000, -0.0000124600000000 ] - [ -0.0008790200000000, -0.0001967600000000, -0.0000700600000000 ] - [ -0.0022092800000000, -0.0002534100000000, -0.0012064700000000 ] - [ -0.0005506800000000, 0.0001137200000000, -0.0004013500000000 ] - [ -0.0029310000000000, 0.0011594100000000, -0.0043732600000000 ] - [ -0.0000799300000000, -0.0002067200000000, -0.0010585100000000 ] - [ -0.0039764300000000, 0.0055589400000000, -0.0017224000000000 ] - [ 0.0002349300000000, -0.0015834300000000, -0.0008742400000000 ] - [ -0.0013068200000000, -0.0008491400000000, -0.0005295000000000 ] - [ -0.0012125300000000, 0.0006244300000000, -0.0005120200000000 ] - [ -0.0047873200000000, -0.0011582400000000, -0.0023114500000000 ] - [ -0.0004988800000000, 0.0004956500000000, -0.0004174600000000 ] - [ -0.0027932700000000, -0.0014456100000000, -0.0020125700000000 ] - [ -0.0006551100000000, -0.0002628900000000, -0.0000396800000000 ] - [ -0.0016974000000000, -0.0003941100000000, -0.0020489000000000 ] - [ -0.0007959300000000, 0.0002533300000000, -0.0006012800000000 ] - [ -0.0009910600000000, 0.0006195200000000, -0.0009419200000000 ] - [ -0.0017000700000000, -0.0000317300000000, -0.0020299400000000 ] - [ -0.0015387200000000, 0.0005195200000000, -0.0001129500000000 ] - [ -0.0027186700000000, -0.0007408000000000, -0.0007967000000000 ] - [ -0.0042741600000000, -0.0003983400000000, -0.0039038300000000 ] - [ -0.0001388000000000, 0.0000996900000000, -0.0005688500000000 ] - [ -0.0013315700000000, -0.0028809100000000, -0.0022488000000000 ] - [ -0.0018005300000000, 0.0023058500000000, -0.0004008100000000 ] - [ -0.0014740500000000, -0.0002127600000000, -0.0014949000000000 ] - [ -0.0003238800000000, 0.0001917800000000, -0.0004049200000000 ] - [ -0.0005832300000000, -0.0001131500000000, -0.0008601600000000 ] - [ -0.0004940800000000, 0.0013237300000000, -0.0009077700000000 ] - [ 0.0210136300000000, -0.0111495100000000, 0.0056631500000000 ] - [ 0.0010015500000000, -0.0007810000000000, -0.0012127100000000 ]- atom: 3 displacement: [ -0.0099999699248486, 0.0000000000000000, -0.0000245255402261 ] forces: - [ 0.0059520800000000, -0.0058053600000000, -0.0022749500000000 ] - [ 0.0028466800000000, 0.0047954100000000, -0.0017696900000000 ] - [ 0.1492594800000000, -0.0134765600000000, -0.0145272100000000 ] - [ 0.0016765200000000, -0.0001813400000000, 0.0002959600000000 ] - [ 0.0076977200000000, 0.0005832500000000, 0.0126808300000000 ] - [ 0.0009230200000000, -0.0005808800000000, 0.0006463800000000 ] - [ -0.0178128500000000, -0.0016417200000000, 0.0098437100000000 ] - [ 0.0005460100000000, 0.0004014900000000, 0.0009343300000000 ] - [ -0.0048796000000000, 0.0223703100000000, 0.0067013600000000 ] - [ 0.0033579500000000, -0.0063707500000000, 0.0019985300000000 ] - [ -0.0001310800000000, 0.0002132600000000, 0.0042906100000000 ] - [ 0.0006205600000000, -0.0015855000000000, 0.0039818000000000 ] - [ 0.0065741800000000, -0.0148866000000000, -0.0031852300000000 ] - [ 0.0009966300000000, 0.0104286500000000, 0.0045226600000000 ] - [ 0.0192734500000000, 0.0008153200000000, 0.0118915900000000 ] - [ 0.0002457800000000, 0.0002399100000000, 0.0007597500000000 ] - [ -0.0029482100000000, -0.0005401400000000, 0.0015653000000000 ] - [ 0.0001057000000000, 0.0001672200000000, 0.0003470100000000 ] - [ -0.0023998900000000, -0.0002994600000000, -0.0001800600000000 ] - [ -0.0023998200000000, -0.0008482000000000, -0.0002256200000000 ] - [ -0.0010040300000000, 0.0004843100000000, -0.0025930900000000 ] - [ -0.0010191600000000, -0.0008034600000000, -0.0014061700000000 ] - [ -0.0011016300000000, 0.0037518600000000, -0.0017629200000000 ] - [ -0.0034442600000000, -0.0038715200000000, -0.0056040800000000 ] - [ -0.0067834900000000, 0.0013173900000000, -0.0021411400000000 ] - [ -0.0017530300000000, -0.0001967600000000, -0.0008115700000000 ] - [ -0.0037860200000000, -0.0008987000000000, -0.0052151000000000 ] - [ -0.0008015600000000, 0.0008809700000000, -0.0008672200000000 ] - [ -0.0057113000000000, 0.0010145400000000, -0.0017690700000000 ] - [ -0.0011314600000000, 0.0006692300000000, -0.0004647400000000 ] - [ -0.0021807500000000, -0.0003064900000000, -0.0010143500000000 ] - [ -0.0036935500000000, -0.0000843600000000, -0.0030041400000000 ] - [ -0.0023243500000000, -0.0006855300000000, -0.0013404200000000 ] - [ -0.0003851200000000, 0.0004265700000000, -0.0001278500000000 ] - [ -0.0017023800000000, -0.0021763000000000, 0.0001898700000000 ] - [ -0.0015123800000000, 0.0026225300000000, 0.0026930700000000 ] - [ -0.0212320300000000, -0.0154915000000000, 0.0114961000000000 ] - [ -0.0002782400000000, 0.0013968700000000, 0.0019962500000000 ] - [ -0.0022309200000000, 0.0010846000000000, 0.0004448700000000 ] - [ -0.0012279400000000, -0.0006262100000000, -0.0002278000000000 ] - [ 0.0028101900000000, 0.0001082500000000, 0.0008607400000000 ] - [ 0.0035429400000000, -0.0025723300000000, 0.0027152700000000 ] - [ -0.0178758900000000, 0.0057444700000000, -0.0119009000000000 ] - [ 0.0010638900000000, -0.0008180200000000, -0.0018589800000000 ] - [ -0.0044100800000000, -0.0018863800000000, -0.0022179800000000 ] - [ -0.0020824200000000, 0.0010714100000000, -0.0001123500000000 ] - [ -0.0090375300000000, 0.0052320100000000, -0.0246625200000000 ] - [ -0.0000385100000000, -0.0003057500000000, -0.0010747900000000 ] - [ 0.0013377100000000, -0.0003972800000000, 0.0010920900000000 ] - [ 0.0004899300000000, -0.0001818400000000, 0.0007806600000000 ] - [ 0.0000895800000000, -0.0003288400000000, 0.0007771100000000 ] - [ 0.0006733400000000, -0.0029918000000000, 0.0057225600000000 ] - [ -0.0103881400000000, 0.0030369700000000, 0.0080032900000000 ] - [ -0.0006729400000000, -0.0003647600000000, 0.0002323100000000 ] - [ 0.0016281400000000, 0.0000116500000000, -0.0000518200000000 ] - [ 0.0019752700000000, -0.0009052300000000, -0.0001849300000000 ] - [ 0.0013943400000000, -0.0004235400000000, -0.0022310600000000 ] - [ -0.0001999200000000, -0.0002845100000000, -0.0000606800000000 ] - [ -0.0192235400000000, -0.0044427600000000, -0.0000344700000000 ] - [ -0.0037647900000000, -0.0020765100000000, 0.0000524600000000 ] - [ -0.0032164900000000, -0.0017475700000000, -0.0036770500000000 ] - [ -0.0020356300000000, 0.0003208400000000, -0.0005237700000000 ] - [ 0.0000134000000000, 0.0005973000000000, -0.0014881200000000 ] - [ -0.0005863500000000, -0.0002744400000000, -0.0030565600000000 ] - [ 0.0041792700000000, -0.0020334900000000, -0.0009817100000000 ] - [ 0.0004820600000000, 0.0012961200000000, 0.0001921100000000 ] - [ -0.0137302600000000, 0.0026681500000000, 0.0003390900000000 ] - [ -0.0007479000000000, 0.0003939100000000, -0.0003037700000000 ] - [ 0.0015088200000000, 0.0038879500000000, -0.0015390500000000 ] - [ 0.0002032600000000, -0.0010004800000000, -0.0012465200000000 ] - [ 0.0003398400000000, -0.0035684100000000, 0.0002538200000000 ] - [ 0.0062220500000000, 0.0095444100000000, -0.0001410400000000 ] - [ 0.0000285900000000, 0.0057591400000000, -0.0076353100000000 ] - [ -0.0004046200000000, -0.0004839900000000, -0.0007857100000000 ] - [ -0.0004297300000000, 0.0004423700000000, -0.0066637700000000 ] - [ -0.0002839500000000, 0.0004834900000000, -0.0007966000000000 ] - [ -0.0405358000000000, -0.0144879300000000, 0.0181968000000000 ] - [ -0.0005217800000000, -0.0010927800000000, -0.0004096000000000 ] - [ 0.0016001800000000, -0.0011964500000000, -0.0022966500000000 ] - [ 0.0009133300000000, 0.0013600800000000, -0.0011258600000000 ] - [ 0.0075131500000000, 0.0010359100000000, -0.0006727100000000 ] - [ 0.0003025000000000, -0.0000229200000000, -0.0000725300000000 ] - [ -0.0021030500000000, 0.0018335300000000, -0.0024026000000000 ] - [ 0.0002725900000000, -0.0004835800000000, -0.0016514200000000 ] - [ -0.0011665000000000, 0.0009579700000000, -0.0015320300000000 ] - [ -0.0004943100000000, 0.0008950600000000, -0.0005809000000000 ] - [ 0.0016691100000000, -0.0009035100000000, -0.0003300500000000 ] - [ 0.0006484000000000, 0.0001464000000000, -0.0000858600000000 ] - [ -0.0017479800000000, 0.0007615500000000, -0.0005870500000000 ] - [ -0.0108378500000000, 0.0004151300000000, -0.0014905000000000 ] - [ -0.0011487200000000, -0.0004592300000000, -0.0016146700000000 ] - [ 0.0001508200000000, -0.0003736900000000, -0.0003956200000000 ] - [ 0.0005403900000000, -0.0004837000000000, 0.0000388500000000 ] - [ 0.0005759300000000, 0.0004394000000000, 0.0000091000000000 ] - [ -0.0189725800000000, 0.0015787000000000, -0.0052191900000000 ] - [ -0.0008398500000000, -0.0000117600000000, -0.0001727800000000 ] - [ -0.0013133900000000, -0.0013104100000000, 0.0009369700000000 ] - [ -0.0024560000000000, 0.0004120600000000, 0.0005952000000000 ] - [ 0.0034092200000000, 0.0001937300000000, -0.0001623800000000 ] - [ 0.0008900200000000, -0.0001229000000000, -0.0001108300000000 ] - [ 0.0022001900000000, -0.0000750400000000, 0.0013906300000000 ] - [ 0.0005492600000000, -0.0004369900000000, 0.0005787000000000 ] - [ 0.0030956800000000, -0.0012345300000000, 0.0038253300000000 ] - [ 0.0002305900000000, 0.0001372600000000, 0.0005115100000000 ] - [ 0.0041397300000000, -0.0041819600000000, 0.0018582400000000 ] - [ -0.0000641600000000, 0.0029307300000000, 0.0010281500000000 ] - [ 0.0016085000000000, 0.0008736000000000, 0.0004174300000000 ] - [ 0.0015057500000000, -0.0006139900000000, 0.0003973800000000 ] - [ 0.0044583500000000, 0.0011215300000000, 0.0024033800000000 ] - [ 0.0001827700000000, -0.0005367300000000, 0.0005258800000000 ] - [ 0.0026280300000000, 0.0001255500000000, 0.0018772100000000 ] - [ 0.0004709200000000, -0.0010625700000000, -0.0001044400000000 ] - [ 0.0015329800000000, 0.0004783600000000, 0.0025586600000000 ] - [ 0.0006345000000000, -0.0001597200000000, 0.0011146300000000 ] - [ 0.0009980700000000, -0.0002965200000000, 0.0007595400000000 ] - [ 0.0017037400000000, 0.0003517200000000, 0.0018418500000000 ] - [ 0.0015219200000000, -0.0001952000000000, 0.0002917500000000 ] - [ 0.0027033800000000, 0.0010610500000000, 0.0009672800000000 ] - [ 0.0047813600000000, 0.0008020900000000, 0.0036537800000000 ] - [ 0.0006538100000000, 0.0003075000000000, 0.0003044800000000 ] - [ 0.0008250400000000, 0.0033202300000000, 0.0025338200000000 ] - [ 0.0012583500000000, -0.0018811100000000, 0.0006525100000000 ] - [ 0.0017929500000000, 0.0001565500000000, 0.0013695700000000 ] - [ 0.0006283800000000, -0.0002301500000000, 0.0002843100000000 ] - [ 0.0004125600000000, 0.0014661100000000, 0.0006697700000000 ] - [ 0.0003133100000000, 0.0000316700000000, 0.0007432900000000 ] - [ -0.0213238500000000, 0.0119848300000000, -0.0065657200000000 ] - [ -0.0008445800000000, 0.0008581600000000, 0.0006877600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0083315000000000, 0.0022379500000000, 0.0186209300000000 ] - [ 0.0004506700000000, 0.0071319500000000, -0.0047172000000000 ] - [ 0.0142450600000000, -0.1372345300000000, 0.0284474200000000 ] - [ -0.0003751600000000, 0.0075261600000000, 0.0000500800000000 ] - [ 0.0011395300000000, -0.0080870300000000, -0.0013202800000000 ] - [ -0.0000109300000000, 0.0035031500000000, 0.0000270200000000 ] - [ 0.0086270600000000, -0.0058219500000000, -0.0014651000000000 ] - [ -0.0008454200000000, 0.0036778000000000, 0.0002113700000000 ] - [ -0.0247233900000000, 0.0076494600000000, 0.0105457100000000 ] - [ 0.0028889600000000, 0.0058683300000000, -0.0026769600000000 ] - [ -0.0003533300000000, 0.0025281200000000, 0.0003553900000000 ] - [ -0.0021551100000000, 0.0009830300000000, 0.0015943300000000 ] - [ 0.0153514200000000, 0.0203402100000000, -0.0098921700000000 ] - [ -0.0099355400000000, 0.0209120300000000, 0.0016592000000000 ] - [ -0.0005386900000000, -0.0115378900000000, -0.0124225400000000 ] - [ 0.0003921400000000, 0.0060724900000000, 0.0007952100000000 ] - [ 0.0015908700000000, -0.0028866200000000, 0.0015847900000000 ] - [ 0.0003998800000000, 0.0022852700000000, 0.0001274800000000 ] - [ 0.0002834700000000, -0.0002710700000000, 0.0001770300000000 ] - [ -0.0002633000000000, -0.0002794800000000, 0.0002522300000000 ] - [ -0.0002379200000000, 0.0002473900000000, -0.0009562300000000 ] - [ 0.0010514900000000, 0.0002314200000000, 0.0015275700000000 ] - [ -0.0015744000000000, 0.0029421500000000, -0.0012888600000000 ] - [ 0.0058290000000000, -0.0015892300000000, 0.0023308500000000 ] - [ -0.0028514500000000, -0.0031693600000000, 0.0008862800000000 ] - [ -0.0003068300000000, 0.0026884100000000, -0.0002502200000000 ] - [ -0.0014585800000000, -0.0036699100000000, -0.0020637500000000 ] - [ 0.0003096900000000, 0.0032615900000000, 0.0003591900000000 ] - [ -0.0004664000000000, -0.0024524200000000, 0.0005374500000000 ] - [ -0.0001118000000000, 0.0028134000000000, -0.0003668000000000 ] - [ 0.0000684900000000, 0.0013127700000000, 0.0006275000000000 ] - [ -0.0017961400000000, -0.0007757700000000, -0.0024132500000000 ] - [ 0.0010550500000000, -0.0026454600000000, 0.0012856100000000 ] - [ -0.0001891900000000, 0.0020045900000000, 0.0000720600000000 ] - [ 0.0016726500000000, 0.0028902600000000, -0.0004001800000000 ] - [ -0.0017068700000000, -0.0016593600000000, -0.0001994200000000 ] - [ 0.0055429200000000, -0.0095901600000000, -0.0047363300000000 ] - [ -0.0004163400000000, 0.0044376300000000, 0.0014734900000000 ] - [ -0.0022161900000000, -0.0008300900000000, -0.0014326100000000 ] - [ 0.0011676900000000, 0.0015914200000000, 0.0003502000000000 ] - [ -0.0012068000000000, 0.0034361100000000, -0.0022819700000000 ] - [ 0.0062172200000000, 0.0046171400000000, 0.0207014100000000 ] - [ -0.0100988700000000, -0.0022237200000000, -0.0038841700000000 ] - [ 0.0007126700000000, 0.0030188700000000, -0.0002479700000000 ] - [ 0.0051469300000000, -0.0017960500000000, 0.0018286500000000 ] - [ -0.0036859800000000, 0.0020635200000000, 0.0004578600000000 ] - [ -0.0084593200000000, -0.0136303500000000, -0.0249358100000000 ] - [ 0.0005518200000000, 0.0045806000000000, 0.0014511200000000 ] - [ -0.0003802500000000, 0.0009440700000000, -0.0000051500000000 ] - [ 0.0001389400000000, -0.0010170100000000, 0.0003607300000000 ] - [ -0.0006371500000000, -0.0030777300000000, -0.0009502100000000 ] - [ 0.0008218700000000, -0.0003337500000000, 0.0072760100000000 ] - [ -0.0029339900000000, 0.0171268900000000, 0.0017984500000000 ] - [ 0.0006046700000000, -0.0037899400000000, -0.0002108800000000 ] - [ -0.0004469600000000, -0.0006409700000000, -0.0003224700000000 ] - [ 0.0007406900000000, -0.0001235100000000, 0.0001820000000000 ] - [ -0.0018793000000000, 0.0013348000000000, 0.0011413900000000 ] - [ -0.0002089700000000, -0.0013023800000000, -0.0000398400000000 ] - [ 0.0000696300000000, 0.0019396400000000, -0.0049913700000000 ] - [ -0.0019500400000000, -0.0070143200000000, 0.0017803800000000 ] - [ 0.0019549300000000, 0.0015114500000000, -0.0050467800000000 ] - [ -0.0005468000000000, -0.0020051400000000, 0.0010958000000000 ] - [ -0.0003179800000000, -0.0023354000000000, 0.0000200300000000 ] - [ 0.0006254600000000, 0.0021221300000000, -0.0007085000000000 ] - [ 0.0016210300000000, 0.0038665300000000, -0.0011597100000000 ] - [ -0.0002467800000000, -0.0015318000000000, -0.0000119000000000 ] - [ -0.0049096900000000, 0.0169707700000000, 0.0021220900000000 ] - [ -0.0006671700000000, -0.0033937100000000, 0.0001235800000000 ] - [ -0.0035373400000000, -0.0007687400000000, 0.0018772800000000 ] - [ 0.0025427400000000, -0.0008164900000000, -0.0011196600000000 ] - [ 0.0019154000000000, -0.0042370800000000, 0.0000104600000000 ] - [ -0.0085956900000000, -0.0013452700000000, 0.0019882000000000 ] - [ -0.0005504300000000, 0.0037743700000000, 0.0007109600000000 ] - [ -0.0000625100000000, -0.0023525400000000, 0.0001638400000000 ] - [ -0.0015794300000000, 0.0019900500000000, 0.0023123300000000 ] - [ 0.0008528500000000, -0.0018920200000000, -0.0004134100000000 ] - [ 0.0176670700000000, 0.0307212600000000, -0.0140917400000000 ] - [ 0.0000982400000000, -0.0046182200000000, -0.0004882500000000 ] - [ 0.0035310500000000, 0.0002174700000000, -0.0017437600000000 ] - [ -0.0006944500000000, -0.0005049800000000, -0.0000314300000000 ] - [ -0.0008170700000000, 0.0025235800000000, 0.0000003000000000 ] - [ 0.0004941600000000, -0.0010856600000000, 0.0001199700000000 ] - [ 0.0004397500000000, -0.0011210200000000, 0.0024237200000000 ] - [ 0.0024456500000000, -0.0070823700000000, -0.0055998900000000 ] - [ -0.0007244200000000, 0.0061607000000000, -0.0069723800000000 ] - [ -0.0001567600000000, -0.0019614800000000, 0.0006744100000000 ] - [ 0.0005137700000000, 0.0010961000000000, 0.0000926800000000 ] - [ -0.0000728000000000, -0.0010628400000000, -0.0006644300000000 ] - [ 0.0008569800000000, -0.0050764200000000, 0.0018174400000000 ] - [ -0.0003400300000000, 0.0144322900000000, 0.0022146500000000 ] - [ 0.0011081300000000, 0.0011821800000000, 0.0018315800000000 ] - [ -0.0004541300000000, -0.0024110800000000, -0.0005969000000000 ] - [ 0.0002121000000000, -0.0005830700000000, 0.0002897300000000 ] - [ -0.0002619500000000, 0.0000744500000000, -0.0006757600000000 ] - [ 0.0004504000000000, 0.0117196600000000, 0.0003597800000000 ] - [ 0.0002680800000000, -0.0022073400000000, 0.0000517700000000 ] - [ 0.0005909500000000, -0.0010304200000000, 0.0011264200000000 ] - [ -0.0059229400000000, -0.0016943700000000, -0.0040271800000000 ] - [ 0.0004415600000000, 0.0008617200000000, -0.0006517500000000 ] - [ -0.0001504100000000, -0.0011450000000000, -0.0000256800000000 ] - [ 0.0000159700000000, 0.0011924000000000, 0.0001835100000000 ] - [ 0.0001561400000000, -0.0013621000000000, 0.0000606200000000 ] - [ 0.0020925700000000, 0.0004938200000000, 0.0014373800000000 ] - [ -0.0005214600000000, -0.0017752600000000, -0.0003335100000000 ] - [ 0.0036395300000000, 0.0004396300000000, 0.0021323700000000 ] - [ -0.0005775100000000, -0.0011940900000000, -0.0008820300000000 ] - [ -0.0011390900000000, -0.0008743600000000, -0.0000899000000000 ] - [ 0.0010118000000000, 0.0003272600000000, -0.0002607500000000 ] - [ 0.0021863500000000, 0.0039107600000000, -0.0003636000000000 ] - [ -0.0004835600000000, -0.0022539900000000, 0.0002696400000000 ] - [ -0.0018499300000000, 0.0015090400000000, -0.0010644700000000 ] - [ 0.0008350100000000, -0.0025271600000000, -0.0002503900000000 ] - [ -0.0005341000000000, 0.0019370300000000, -0.0003546000000000 ] - [ 0.0003493700000000, -0.0015125800000000, 0.0007499700000000 ] - [ 0.0002598400000000, -0.0008772300000000, 0.0002245400000000 ] - [ -0.0005267600000000, 0.0011550100000000, -0.0003487800000000 ] - [ 0.0004605300000000, -0.0007641000000000, -0.0000628800000000 ] - [ -0.0006932800000000, 0.0011735300000000, 0.0005085500000000 ] - [ 0.0054541900000000, 0.0041077900000000, 0.0036820400000000 ] - [ -0.0006717100000000, -0.0012735400000000, -0.0006496500000000 ] - [ -0.0064030000000000, -0.0005183200000000, -0.0022603000000000 ] - [ 0.0033373100000000, -0.0030036900000000, 0.0021322900000000 ] - [ -0.0002606500000000, 0.0021255000000000, 0.0004903700000000 ] - [ 0.0003856000000000, -0.0016077900000000, -0.0001478000000000 ] - [ -0.0016471200000000, 0.0020396300000000, -0.0028067500000000 ] - [ 0.0003395600000000, -0.0006815400000000, 0.0012322100000000 ] - [ -0.0135167900000000, 0.0320331700000000, -0.0052399400000000 ] - [ -0.0007017300000000, -0.0059296900000000, -0.0017906500000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0071971300000000, -0.0021925400000000, -0.0184242200000000 ] - [ 0.0007203000000000, -0.0071059800000000, 0.0050565000000000 ] - [ -0.0124782300000000, 0.1356944000000000, -0.0283234900000000 ] - [ 0.0003337800000000, -0.0086066700000000, 0.0003269400000000 ] - [ -0.0011170000000000, 0.0069950600000000, 0.0010292800000000 ] - [ 0.0000555400000000, -0.0045890500000000, -0.0004013500000000 ] - [ -0.0074243100000000, 0.0058147400000000, 0.0018400500000000 ] - [ 0.0020194400000000, -0.0036978000000000, 0.0001582200000000 ] - [ 0.0238025800000000, -0.0076447600000000, -0.0110293000000000 ] - [ -0.0040424300000000, -0.0058317900000000, 0.0022875000000000 ] - [ 0.0003135800000000, -0.0014195800000000, 0.0000173700000000 ] - [ 0.0021109100000000, 0.0000882500000000, -0.0012131000000000 ] - [ -0.0155183000000000, -0.0194922300000000, 0.0096335900000000 ] - [ 0.0098832000000000, -0.0196901400000000, -0.0019929200000000 ] - [ -0.0005976400000000, 0.0115601800000000, 0.0119633500000000 ] - [ -0.0015778400000000, -0.0061023000000000, -0.0011492200000000 ] - [ -0.0004158100000000, 0.0028982300000000, -0.0011991100000000 ] - [ 0.0007915700000000, -0.0022577100000000, 0.0002434200000000 ] - [ -0.0003331000000000, -0.0008094900000000, 0.0001976300000000 ] - [ 0.0002226100000000, -0.0008167500000000, 0.0001196000000000 ] - [ 0.0002772000000000, -0.0013182100000000, 0.0005686900000000 ] - [ -0.0010078400000000, -0.0013320500000000, -0.0018923200000000 ] - [ 0.0027648500000000, -0.0029509100000000, 0.0016631700000000 ] - [ -0.0046214500000000, 0.0015324800000000, -0.0019491500000000 ] - [ 0.0016600200000000, 0.0031912100000000, -0.0012574600000000 ] - [ -0.0008857800000000, -0.0026674400000000, -0.0001186000000000 ] - [ 0.0014084600000000, 0.0047482700000000, 0.0024170200000000 ] - [ -0.0003529800000000, -0.0021679200000000, 0.0000131600000000 ] - [ 0.0004854300000000, 0.0035420300000000, -0.0009149200000000 ] - [ 0.0001516200000000, -0.0017189900000000, -0.0000028900000000 ] - [ -0.0012627900000000, -0.0013303300000000, -0.0010005300000000 ] - [ 0.0006081000000000, 0.0007390200000000, 0.0020402000000000 ] - [ -0.0010385500000000, 0.0024345300000000, -0.0000752600000000 ] - [ 0.0001888300000000, -0.0022274100000000, 0.0011275300000000 ] - [ -0.0016774000000000, -0.0031228200000000, -0.0008050600000000 ] - [ 0.0016991600000000, 0.0014225000000000, -0.0009931400000000 ] - [ -0.0055989300000000, 0.0096143600000000, 0.0059099200000000 ] - [ 0.0004248100000000, -0.0042128000000000, -0.0002801800000000 ] - [ 0.0022284800000000, 0.0010826700000000, 0.0002287500000000 ] - [ -0.0011686600000000, -0.0013751600000000, -0.0015482300000000 ] - [ 0.0012229400000000, -0.0036467000000000, 0.0035059200000000 ] - [ -0.0062043700000000, -0.0047770000000000, -0.0193991700000000 ] - [ 0.0099770600000000, 0.0020639800000000, 0.0026891300000000 ] - [ -0.0007040300000000, -0.0032398900000000, -0.0009493200000000 ] - [ -0.0051696100000000, 0.0020416500000000, -0.0006302100000000 ] - [ 0.0036830600000000, -0.0018473900000000, 0.0007407000000000 ] - [ 0.0084690700000000, 0.0136946100000000, 0.0236737000000000 ] - [ -0.0005572300000000, -0.0043561500000000, -0.0026636200000000 ] - [ 0.0002030400000000, -0.0010418700000000, 0.0004992600000000 ] - [ -0.0003091700000000, 0.0009273300000000, 0.0001437400000000 ] - [ 0.0008222200000000, 0.0017510800000000, 0.0011023700000000 ] - [ -0.0006370100000000, -0.0009401700000000, -0.0071336600000000 ] - [ 0.0025862000000000, -0.0171348700000000, -0.0018149900000000 ] - [ -0.0009092300000000, 0.0038251700000000, 0.0003371200000000 ] - [ 0.0009587700000000, 0.0002266300000000, 0.0000752300000000 ] - [ -0.0002124300000000, -0.0002871900000000, -0.0004297700000000 ] - [ 0.0013555800000000, -0.0017525300000000, -0.0008991500000000 ] - [ -0.0003171900000000, 0.0008974900000000, 0.0002850500000000 ] - [ -0.0000023100000000, -0.0038290800000000, 0.0044728200000000 ] - [ 0.0019755700000000, 0.0066344500000000, -0.0019471000000000 ] - [ -0.0020101800000000, -0.0018750200000000, 0.0052577200000000 ] - [ 0.0005197400000000, 0.0016732900000000, -0.0009022300000000 ] - [ 0.0004904900000000, 0.0022402200000000, -0.0005210400000000 ] - [ -0.0004558600000000, -0.0021948500000000, 0.0001896600000000 ] - [ -0.0014372900000000, -0.0025309900000000, 0.0013087200000000 ] - [ 0.0004272800000000, 0.0028392600000000, 0.0001557300000000 ] - [ 0.0053499700000000, -0.0168632400000000, -0.0023294500000000 ] - [ 0.0009628700000000, 0.0034100800000000, -0.0002448500000000 ] - [ 0.0032535900000000, 0.0007299900000000, -0.0017772800000000 ] - [ -0.0028391400000000, 0.0007794900000000, 0.0012309200000000 ] - [ -0.0021073800000000, 0.0029471000000000, -0.0001320400000000 ] - [ 0.0083289000000000, 0.0000799600000000, -0.0020929000000000 ] - [ 0.0003714600000000, -0.0036228800000000, -0.0002392100000000 ] - [ -0.0001210800000000, 0.0024362600000000, 0.0003201000000000 ] - [ 0.0015872200000000, -0.0016670800000000, -0.0024843400000000 ] - [ -0.0008244700000000, 0.0022299000000000, 0.0002326700000000 ] - [ -0.0183365200000000, -0.0305457100000000, 0.0147875300000000 ] - [ -0.0001187600000000, 0.0049430400000000, 0.0006615900000000 ] - [ -0.0030217400000000, 0.0001825300000000, 0.0015135100000000 ] - [ 0.0012211300000000, 0.0009246500000000, -0.0002077600000000 ] - [ 0.0003627800000000, -0.0020946600000000, 0.0002410600000000 ] - [ -0.0009959400000000, 0.0014950600000000, 0.0001240800000000 ] - [ -0.0001399400000000, 0.0010773600000000, -0.0025537900000000 ] - [ -0.0021457400000000, 0.0070763400000000, 0.0054911900000000 ] - [ 0.0005394600000000, -0.0048305300000000, 0.0067996100000000 ] - [ -0.0000330200000000, 0.0032688900000000, -0.0008141500000000 ] - [ -0.0003379300000000, -0.0010174500000000, -0.0005959500000000 ] - [ 0.0002379400000000, 0.0011486900000000, 0.0001478000000000 ] - [ -0.0010351200000000, 0.0049989900000000, -0.0013399700000000 ] - [ 0.0000515100000000, -0.0134722100000000, -0.0008797200000000 ] - [ -0.0009298900000000, -0.0025098200000000, -0.0016734200000000 ] - [ 0.0006238100000000, 0.0010945000000000, 0.0007399700000000 ] - [ -0.0005267300000000, 0.0006124800000000, -0.0001693200000000 ] - [ -0.0000531400000000, -0.0000265000000000, 0.0007914600000000 ] - [ 0.0001405400000000, -0.0122027500000000, -0.0004507600000000 ] - [ 0.0002439200000000, 0.0017945300000000, -0.0002961700000000 ] - [ -0.0010982500000000, 0.0006124900000000, -0.0008865400000000 ] - [ 0.0053896000000000, 0.0012829300000000, 0.0042548300000000 ] - [ -0.0004014300000000, -0.0011925500000000, 0.0004686800000000 ] - [ 0.0001763200000000, 0.0008022500000000, -0.0001532600000000 ] - [ -0.0000346300000000, -0.0015217700000000, -0.0000033100000000 ] - [ -0.0001770700000000, 0.0010137100000000, 0.0001167100000000 ] - [ -0.0018728400000000, -0.0006127400000000, -0.0018934900000000 ] - [ 0.0006893400000000, 0.0016842900000000, -0.0001679900000000 ] - [ -0.0034505100000000, 0.0008263300000000, -0.0020246100000000 ] - [ 0.0007523700000000, 0.0025091200000000, 0.0010154800000000 ] - [ 0.0014547200000000, 0.0009070800000000, -0.0000241400000000 ] - [ -0.0007026000000000, -0.0002923200000000, 0.0001422500000000 ] - [ -0.0024608000000000, -0.0039109700000000, 0.0004857700000000 ] - [ 0.0001800600000000, 0.0022230600000000, -0.0001508600000000 ] - [ 0.0016749000000000, -0.0028377100000000, 0.0009095300000000 ] - [ -0.0010137000000000, 0.0012087400000000, 0.0001133400000000 ] - [ 0.0003737600000000, -0.0018560000000000, 0.0008694900000000 ] - [ -0.0005192600000000, 0.0016051100000000, -0.0002512600000000 ] - [ -0.0002300700000000, 0.0012050100000000, -0.0003987900000000 ] - [ 0.0005483500000000, -0.0008089200000000, 0.0001686300000000 ] - [ -0.0004856700000000, 0.0010982500000000, 0.0002397100000000 ] - [ 0.0006676300000000, -0.0008220100000000, -0.0003237300000000 ] - [ -0.0049642200000000, -0.0036960500000000, -0.0039129600000000 ] - [ 0.0012096000000000, 0.0016891000000000, 0.0004042000000000 ] - [ 0.0059321900000000, 0.0009283700000000, 0.0025194100000000 ] - [ -0.0038573600000000, 0.0034219100000000, -0.0018790900000000 ] - [ 0.0005603800000000, -0.0021439100000000, -0.0005984700000000 ] - [ -0.0000715900000000, 0.0015648500000000, 0.0000339000000000 ] - [ 0.0014624100000000, -0.0007417400000000, 0.0026858400000000 ] - [ -0.0005239900000000, 0.0020138500000000, -0.0013738800000000 ] - [ 0.0126085600000000, -0.0305942100000000, 0.0040995700000000 ] - [ 0.0008757700000000, 0.0060188700000000, 0.0012965800000000 ]- atom: 3 displacement: [ -0.0053126970990986, 0.0000000000000000, 0.0084720274747683 ] forces: - [ 0.0073694400000000, 0.0122235900000000, 0.0047217600000000 ] - [ 0.0011663700000000, -0.0024387400000000, -0.0006944100000000 ] - [ 0.0921687200000000, 0.0173076300000000, -0.1380263700000000 ] - [ 0.0007948100000000, -0.0004640500000000, -0.0011384200000000 ] - [ -0.0068552200000000, 0.0010563200000000, 0.0231346000000000 ] - [ -0.0002106400000000, -0.0007314500000000, 0.0008313100000000 ] - [ -0.0223721000000000, -0.0003004700000000, 0.0087279900000000 ] - [ 0.0000225600000000, 0.0002994400000000, 0.0004568600000000 ] - [ -0.0113723300000000, 0.0216652000000000, -0.0010732000000000 ] - [ 0.0006466900000000, -0.0052404600000000, -0.0000567000000000 ] - [ -0.0035737500000000, 0.0001946400000000, 0.0058710300000000 ] - [ -0.0029136000000000, -0.0017714100000000, 0.0051027400000000 ] - [ 0.0060671700000000, -0.0159645200000000, -0.0106722100000000 ] - [ -0.0034295800000000, 0.0073147700000000, -0.0082721000000000 ] - [ 0.0001634200000000, -0.0080768400000000, 0.0374893700000000 ] - [ -0.0006015700000000, 0.0015622200000000, 0.0003593200000000 ] - [ -0.0008888800000000, 0.0004520000000000, 0.0052487100000000 ] - [ 0.0003877200000000, -0.0000808200000000, 0.0010378200000000 ] - [ -0.0009259300000000, -0.0003481000000000, 0.0004659800000000 ] - [ -0.0009762600000000, -0.0007032500000000, 0.0004352900000000 ] - [ 0.0005033800000000, -0.0014305900000000, 0.0004207400000000 ] - [ 0.0014929800000000, -0.0000245200000000, 0.0010429300000000 ] - [ 0.0007345300000000, -0.0001677000000000, -0.0014581500000000 ] - [ 0.0009733200000000, 0.0002634100000000, -0.0055056600000000 ] - [ -0.0009807200000000, 0.0009858200000000, -0.0027900900000000 ] - [ -0.0006677600000000, -0.0002702700000000, -0.0004351100000000 ] - [ 0.0025599800000000, 0.0016652900000000, 0.0011957200000000 ] - [ 0.0004654300000000, 0.0005551700000000, -0.0000382800000000 ] - [ -0.0016931600000000, 0.0013948900000000, -0.0023124600000000 ] - [ -0.0003614700000000, 0.0004515200000000, -0.0001770700000000 ] - [ -0.0001153500000000, 0.0007708700000000, 0.0006855700000000 ] - [ 0.0001185100000000, -0.0005581900000000, 0.0014433100000000 ] - [ -0.0005848000000000, -0.0003197900000000, 0.0034756000000000 ] - [ -0.0003470100000000, -0.0003135300000000, 0.0010281100000000 ] - [ -0.0019096800000000, -0.0022663200000000, 0.0001744800000000 ] - [ -0.0019746600000000, 0.0014164100000000, 0.0023802100000000 ] - [ -0.0229718100000000, -0.0179064300000000, 0.0054641600000000 ] - [ -0.0007651300000000, 0.0011552200000000, 0.0012518800000000 ] - [ -0.0031650400000000, -0.0007722300000000, 0.0019781300000000 ] - [ -0.0014672100000000, -0.0000448900000000, 0.0005653400000000 ] - [ 0.0019169600000000, -0.0030642000000000, 0.0002727200000000 ] - [ 0.0038861700000000, 0.0078619000000000, 0.0142637100000000 ] - [ 0.0110277100000000, -0.0021590800000000, -0.0066302300000000 ] - [ 0.0010696400000000, -0.0001055400000000, -0.0018157400000000 ] - [ -0.0002584300000000, -0.0012080900000000, -0.0017131200000000 ] - [ 0.0003322100000000, 0.0001999100000000, 0.0003493100000000 ] - [ 0.0173914900000000, -0.0132834000000000, 0.0015166000000000 ] - [ 0.0006579000000000, 0.0006171800000000, -0.0015380400000000 ] - [ 0.0002388200000000, -0.0004538600000000, -0.0003611600000000 ] - [ 0.0000750100000000, -0.0000556200000000, 0.0001256500000000 ] - [ -0.0008120400000000, -0.0024584300000000, -0.0003875400000000 ] - [ -0.0012934300000000, 0.0031043000000000, -0.0007944600000000 ] - [ -0.0104434400000000, -0.0002475100000000, -0.0087464700000000 ] - [ -0.0002680300000000, 0.0003548200000000, 0.0004238400000000 ] - [ 0.0014248600000000, -0.0000775800000000, -0.0004741000000000 ] - [ 0.0014685600000000, -0.0005056400000000, -0.0008476600000000 ] - [ 0.0029848400000000, -0.0010239700000000, -0.0056796000000000 ] - [ 0.0000788000000000, -0.0001316000000000, -0.0002657200000000 ] - [ -0.0109115700000000, -0.0076761300000000, 0.0135023000000000 ] - [ -0.0016619200000000, -0.0002113900000000, 0.0022424300000000 ] - [ 0.0018403600000000, -0.0042856600000000, -0.0047460100000000 ] - [ -0.0000596500000000, 0.0008884100000000, -0.0007075600000000 ] - [ 0.0004316800000000, 0.0006494100000000, -0.0015640300000000 ] - [ 0.0009190000000000, 0.0005826900000000, -0.0036957900000000 ] - [ 0.0032768000000000, -0.0022504100000000, 0.0004937900000000 ] - [ 0.0003827900000000, 0.0012975000000000, 0.0002591900000000 ] - [ -0.0070849200000000, 0.0019562900000000, 0.0084963300000000 ] - [ -0.0001942700000000, 0.0003943500000000, 0.0000252300000000 ] - [ 0.0020334500000000, 0.0045172500000000, -0.0010466600000000 ] - [ 0.0008321000000000, -0.0006257500000000, -0.0008119400000000 ] - [ 0.0012432500000000, -0.0030777700000000, 0.0014764500000000 ] - [ 0.0043431100000000, 0.0074576100000000, 0.0042382000000000 ] - [ 0.0029430100000000, 0.0067605400000000, -0.0067263200000000 ] - [ 0.0002035500000000, -0.0005865100000000, -0.0005426900000000 ] - [ 0.0072583700000000, -0.0000225500000000, -0.0097266800000000 ] - [ 0.0008832500000000, 0.0002611100000000, -0.0008738300000000 ] - [ -0.0365477500000000, -0.0170338100000000, 0.0346014700000000 ] - [ -0.0000816300000000, -0.0005982500000000, 0.0004095400000000 ] - [ 0.0034478400000000, -0.0008949300000000, -0.0026152300000000 ] - [ 0.0016207800000000, 0.0012146300000000, -0.0010681000000000 ] - [ 0.0084335600000000, 0.0013341200000000, -0.0002746800000000 ] - [ 0.0004898500000000, 0.0000062100000000, -0.0000965500000000 ] - [ 0.0003196900000000, 0.0052390200000000, -0.0031469000000000 ] - [ 0.0027268000000000, -0.0045477000000000, -0.0035144900000000 ] - [ -0.0007287300000000, -0.0007127400000000, -0.0064977400000000 ] - [ -0.0002707900000000, 0.0015160700000000, -0.0009227800000000 ] - [ 0.0009727400000000, -0.0005683100000000, -0.0009896300000000 ] - [ 0.0004194500000000, 0.0000297300000000, -0.0004838200000000 ] - [ -0.0012227200000000, 0.0011450600000000, 0.0009338200000000 ] - [ -0.0042509900000000, 0.0026089900000000, 0.0147084300000000 ] - [ -0.0010619300000000, 0.0005584900000000, -0.0049220600000000 ] - [ 0.0001825700000000, -0.0006014800000000, -0.0007680100000000 ] - [ 0.0003615100000000, 0.0001754600000000, -0.0005700800000000 ] - [ 0.0001813800000000, -0.0002333400000000, -0.0009110500000000 ] - [ -0.0046407200000000, -0.0014791800000000, 0.0196845600000000 ] - [ -0.0005054600000000, -0.0002466500000000, 0.0003654100000000 ] - [ -0.0014935500000000, 0.0004510900000000, 0.0003278300000000 ] - [ -0.0053721800000000, -0.0020941800000000, -0.0019392300000000 ] - [ 0.0012025700000000, -0.0002143600000000, -0.0005189500000000 ] - [ 0.0002698400000000, -0.0000762900000000, -0.0003123700000000 ] - [ -0.0004647700000000, -0.0001669300000000, -0.0001638600000000 ] - [ -0.0000953700000000, 0.0000389800000000, 0.0000958900000000 ] - [ -0.0027363400000000, 0.0007030100000000, -0.0011899600000000 ] - [ -0.0003816500000000, -0.0005741900000000, 0.0001122900000000 ] - [ -0.0005314800000000, 0.0011534900000000, 0.0060473800000000 ] - [ 0.0001015000000000, 0.0019236900000000, 0.0014516800000000 ] - [ 0.0003686600000000, 0.0004650900000000, 0.0000995900000000 ] - [ 0.0002471300000000, -0.0002186400000000, 0.0000665700000000 ] - [ -0.0033247400000000, -0.0015592700000000, 0.0022342800000000 ] - [ -0.0001959500000000, -0.0000570400000000, 0.0005309900000000 ] - [ 0.0018675700000000, -0.0001803600000000, 0.0023974600000000 ] - [ -0.0000737600000000, -0.0005725300000000, 0.0001209100000000 ] - [ -0.0005715500000000, -0.0002586300000000, 0.0006179500000000 ] - [ -0.0003244200000000, -0.0002063900000000, 0.0002920800000000 ] - [ -0.0005788400000000, 0.0003600500000000, 0.0002364300000000 ] - [ -0.0009438000000000, 0.0001514500000000, 0.0004742400000000 ] - [ 0.0001307300000000, 0.0001496700000000, -0.0000371400000000 ] - [ 0.0002853300000000, 0.0003121200000000, 0.0002578700000000 ] - [ -0.0045424400000000, 0.0007194400000000, 0.0005991200000000 ] - [ -0.0002316400000000, 0.0001415100000000, 0.0000884000000000 ] - [ -0.0020227300000000, 0.0010993600000000, 0.0041078900000000 ] - [ -0.0004317300000000, 0.0007128300000000, 0.0016034700000000 ] - [ -0.0002054100000000, -0.0000402700000000, -0.0007114600000000 ] - [ 0.0000217000000000, -0.0001299700000000, -0.0001787200000000 ] - [ -0.0013236800000000, -0.0004363600000000, -0.0026593700000000 ] - [ -0.0002065100000000, 0.0013415100000000, -0.0004701400000000 ] - [ -0.0082296700000000, 0.0060590200000000, 0.0106340500000000 ] - [ -0.0007256200000000, 0.0001593300000000, 0.0015335800000000 ]- atom: 3 displacement: [ 0.0053126970990986, 0.0000000000000000, -0.0084720274747683 ] forces: - [ -0.0062286400000000, -0.0122544800000000, -0.0043204500000000 ] - [ 0.0000048500000000, 0.0024028500000000, 0.0010907400000000 ] - [ -0.0914690600000000, -0.0166586100000000, 0.1365900500000000 ] - [ -0.0008439600000000, -0.0006385500000000, 0.0015136000000000 ] - [ 0.0069043400000000, -0.0021545200000000, -0.0236894400000000 ] - [ 0.0002413000000000, -0.0003595800000000, -0.0012018600000000 ] - [ 0.0234172000000000, 0.0002675700000000, -0.0083452200000000 ] - [ 0.0011540200000000, -0.0002949200000000, -0.0001071400000000 ] - [ 0.0102469100000000, -0.0218395300000000, 0.0007600400000000 ] - [ -0.0018461200000000, 0.0052646000000000, -0.0003017000000000 ] - [ 0.0035373500000000, 0.0008677100000000, -0.0054896600000000 ] - [ 0.0028772000000000, 0.0028952900000000, -0.0047401400000000 ] - [ -0.0059958200000000, 0.0170076100000000, 0.0102388700000000 ] - [ 0.0035066300000000, -0.0062827200000000, 0.0078299900000000 ] - [ -0.0012795400000000, 0.0079457600000000, -0.0373944000000000 ] - [ -0.0005653900000000, -0.0015689400000000, -0.0007301100000000 ] - [ 0.0020871700000000, -0.0004371000000000, -0.0048819200000000 ] - [ 0.0007872900000000, 0.0000863600000000, -0.0006797100000000 ] - [ 0.0008937500000000, -0.0007490700000000, -0.0000853500000000 ] - [ 0.0009316500000000, -0.0003808100000000, -0.0000621300000000 ] - [ -0.0004642500000000, 0.0003420300000000, -0.0007994700000000 ] - [ -0.0014525800000000, -0.0010671200000000, -0.0014155500000000 ] - [ 0.0004332900000000, 0.0001529200000000, 0.0018248900000000 ] - [ 0.0002036200000000, -0.0002780800000000, 0.0058850000000000 ] - [ -0.0001815100000000, -0.0009801700000000, 0.0024065000000000 ] - [ -0.0004995800000000, 0.0002802100000000, 0.0000756100000000 ] - [ -0.0026049000000000, -0.0005787800000000, -0.0008157700000000 ] - [ -0.0005066800000000, 0.0005307300000000, 0.0004103100000000 ] - [ 0.0017285100000000, -0.0003067500000000, 0.0019501200000000 ] - [ 0.0003914000000000, 0.0006425400000000, -0.0001919200000000 ] - [ -0.0010641500000000, -0.0007869100000000, -0.0010673200000000 ] - [ -0.0012891900000000, 0.0005479900000000, -0.0017945700000000 ] - [ 0.0005714700000000, 0.0000963400000000, -0.0022749900000000 ] - [ 0.0003470900000000, 0.0000810600000000, 0.0001721600000000 ] - [ 0.0019043900000000, 0.0020341000000000, -0.0013739200000000 ] - [ 0.0019744800000000, -0.0016384400000000, -0.0035913800000000 ] - [ 0.0231946800000000, 0.0182530300000000, -0.0042928100000000 ] - [ 0.0007662900000000, -0.0009303900000000, -0.0000547700000000 ] - [ 0.0031788500000000, 0.0009897500000000, -0.0031714900000000 ] - [ 0.0014770100000000, 0.0002815400000000, -0.0017664600000000 ] - [ -0.0018960800000000, 0.0028273900000000, 0.0009179800000000 ] - [ -0.0038664300000000, -0.0080201000000000, -0.0130839200000000 ] - [ -0.0111138300000000, 0.0019595100000000, 0.0054683600000000 ] - [ -0.0010676200000000, -0.0001229200000000, 0.0006205400000000 ] - [ 0.0002622300000000, 0.0014272000000000, 0.0029008800000000 ] - [ -0.0003198700000000, 0.0000325700000000, 0.0008492600000000 ] - [ -0.0174273900000000, 0.0136136000000000, -0.0024957600000000 ] - [ -0.0006488500000000, -0.0003893600000000, 0.0003433400000000 ] - [ -0.0004076800000000, 0.0003670600000000, 0.0008675000000000 ] - [ -0.0002464400000000, -0.0000318200000000, 0.0003764800000000 ] - [ 0.0009957800000000, 0.0011028500000000, 0.0005675400000000 ] - [ 0.0014905700000000, -0.0044327600000000, 0.0008866400000000 ] - [ 0.0102402700000000, 0.0002331500000000, 0.0085951600000000 ] - [ -0.0000571300000000, -0.0002694500000000, -0.0002981700000000 ] - [ -0.0009767900000000, -0.0003147500000000, 0.0002123300000000 ] - [ -0.0009170400000000, 0.0000812800000000, 0.0005925800000000 ] - [ -0.0034687600000000, 0.0006129200000000, 0.0059411000000000 ] - [ -0.0005777000000000, -0.0002722100000000, 0.0005204900000000 ] - [ 0.0109576800000000, 0.0073445600000000, -0.0137446000000000 ] - [ 0.0016909100000000, -0.0000934800000000, -0.0024202700000000 ] - [ -0.0018389300000000, 0.0039977200000000, 0.0049329000000000 ] - [ 0.0000652300000000, -0.0012165600000000, 0.0008839300000000 ] - [ -0.0002380500000000, -0.0007479700000000, 0.0011067000000000 ] - [ -0.0007535900000000, -0.0006692600000000, 0.0031620700000000 ] - [ -0.0030900600000000, 0.0035775600000000, -0.0003092800000000 ] - [ -0.0001767100000000, -0.0000195100000000, -0.0001613200000000 ] - [ 0.0088159400000000, -0.0021050800000000, -0.0095069700000000 ] - [ 0.0004915700000000, -0.0003708700000000, -0.0001544900000000 ] - [ -0.0023074800000000, -0.0045126300000000, 0.0011726000000000 ] - [ -0.0011696100000000, 0.0005381900000000, 0.0009569900000000 ] - [ -0.0014460000000000, 0.0018046400000000, -0.0015875900000000 ] - [ -0.0045223600000000, -0.0088461800000000, -0.0044433000000000 ] - [ -0.0031361000000000, -0.0067290200000000, 0.0073047100000000 ] - [ -0.0003793800000000, 0.0006955600000000, 0.0010210300000000 ] - [ -0.0072371000000000, 0.0003671200000000, 0.0095378400000000 ] - [ -0.0008752600000000, 0.0000626900000000, 0.0006980000000000 ] - [ 0.0339685000000000, 0.0156705100000000, -0.0325001400000000 ] - [ 0.0000679700000000, 0.0009332300000000, -0.0002258000000000 ] - [ -0.0029763100000000, 0.0012965400000000, 0.0023583400000000 ] - [ -0.0010889700000000, -0.0008039500000000, 0.0008167200000000 ] - [ -0.0089792700000000, -0.0009258000000000, 0.0005246300000000 ] - [ -0.0009662700000000, 0.0003993300000000, 0.0003534800000000 ] - [ 0.0000128200000000, -0.0052927800000000, 0.0030169500000000 ] - [ -0.0024072000000000, 0.0044914100000000, 0.0034191800000000 ] - [ 0.0005405100000000, 0.0020326200000000, 0.0063280000000000 ] - [ 0.0000868500000000, -0.0001648600000000, 0.0007610800000000 ] - [ -0.0008027700000000, 0.0006642000000000, 0.0004917100000000 ] - [ -0.0002615000000000, 0.0000407600000000, -0.0000549400000000 ] - [ 0.0010687800000000, -0.0012000900000000, -0.0003696000000000 ] - [ 0.0040584700000000, -0.0021079300000000, -0.0136366800000000 ] - [ 0.0012435800000000, -0.0018681600000000, 0.0050307500000000 ] - [ -0.0000002100000000, -0.0007297600000000, 0.0009284800000000 ] - [ -0.0006670100000000, -0.0001419700000000, 0.0006911200000000 ] - [ -0.0005075200000000, 0.0002961500000000, 0.0010380700000000 ] - [ 0.0053952400000000, 0.0009155200000000, -0.0196750100000000 ] - [ 0.0010282500000000, -0.0001580900000000, -0.0006108900000000 ] - [ 0.0009434500000000, -0.0008694500000000, -0.0000846300000000 ] - [ 0.0048321700000000, 0.0016727700000000, 0.0021918700000000 ] - [ -0.0011976900000000, -0.0001122700000000, 0.0003360200000000 ] - [ -0.0002592200000000, -0.0002441600000000, 0.0001374200000000 ] - [ 0.0004442000000000, -0.0001567900000000, 0.0003480400000000 ] - [ 0.0000847900000000, -0.0003686900000000, 0.0000815800000000 ] - [ 0.0029138800000000, -0.0007815800000000, 0.0006415700000000 ] - [ 0.0005516700000000, 0.0005004100000000, -0.0006315400000000 ] - [ 0.0007104500000000, 0.0001997300000000, -0.0059030100000000 ] - [ 0.0000895700000000, -0.0006059600000000, -0.0013106500000000 ] - [ -0.0001000100000000, -0.0004640900000000, -0.0002188000000000 ] - [ 0.0000508600000000, 0.0002664300000000, -0.0001953200000000 ] - [ 0.0030049700000000, 0.0014867200000000, -0.0021159100000000 ] - [ -0.0001097800000000, 0.0000147800000000, -0.0004087400000000 ] - [ -0.0020689100000000, -0.0011039400000000, -0.0024859300000000 ] - [ -0.0001230200000000, -0.0007453300000000, -0.0002596700000000 ] - [ 0.0003825000000000, 0.0003563200000000, -0.0001490500000000 ] - [ 0.0001486000000000, 0.0002902700000000, 0.0002204000000000 ] - [ 0.0005921000000000, -0.0000401500000000, -0.0004152400000000 ] - [ 0.0009491300000000, 0.0001782200000000, -0.0006576200000000 ] - [ -0.0001404900000000, 0.0001752700000000, 0.0002122500000000 ] - [ -0.0002984000000000, 0.0000164600000000, -0.0000878300000000 ] - [ 0.0050357100000000, -0.0003281900000000, -0.0008827700000000 ] - [ 0.0007852400000000, 0.0002849700000000, -0.0003438300000000 ] - [ 0.0015541600000000, -0.0006990400000000, -0.0038381300000000 ] - [ -0.0001194800000000, -0.0002739000000000, -0.0013488500000000 ] - [ 0.0005056800000000, 0.0000009200000000, 0.0005798400000000 ] - [ 0.0002704900000000, 0.0000982600000000, 0.0000498700000000 ] - [ 0.0011310200000000, 0.0017562600000000, 0.0025183300000000 ] - [ 0.0000117000000000, -0.0000242000000000, 0.0003312800000000 ] - [ 0.0084200100000000, -0.0060070000000000, -0.0112482500000000 ] - [ 0.0008734100000000, -0.0000860900000000, -0.0020876300000000 ]- atom: 33 displacement: [ 0.0099999699248486, 0.0000000000000000, 0.0000245255402261 ] forces: - [ -0.0095050000000000, -0.0062195400000000, 0.0002574800000000 ] - [ -0.0010745400000000, 0.0003840600000000, -0.0008639900000000 ] - [ 0.0023151100000000, 0.0004971600000000, 0.0009762000000000 ] - [ 0.0003696900000000, -0.0007418900000000, 0.0000228500000000 ] - [ 0.0179461100000000, 0.0095187000000000, 0.0240799200000000 ] - [ -0.0010553900000000, -0.0012660800000000, 0.0004075400000000 ] - [ 0.0305254400000000, -0.0008458000000000, -0.0184397700000000 ] - [ -0.0001148700000000, 0.0003025900000000, -0.0003472200000000 ] - [ 0.0022388500000000, -0.0012114700000000, 0.0038815700000000 ] - [ 0.0001694400000000, 0.0004960900000000, 0.0013054600000000 ] - [ 0.0043952500000000, -0.0046123500000000, 0.0026300400000000 ] - [ 0.0020736900000000, 0.0042355500000000, 0.0018823200000000 ] - [ 0.0022562200000000, -0.0016713200000000, -0.0025369300000000 ] - [ 0.0012494800000000, 0.0017218400000000, -0.0011509900000000 ] - [ 0.0062520700000000, 0.0007676600000000, 0.0007042700000000 ] - [ 0.0006686900000000, 0.0001262400000000, 0.0000622300000000 ] - [ 0.0030335600000000, 0.0001362400000000, 0.0018188500000000 ] - [ 0.0015728300000000, 0.0003190300000000, 0.0008952200000000 ] - [ -0.0035949500000000, 0.0057158100000000, 0.0025600600000000 ] - [ -0.0028346200000000, -0.0017719600000000, 0.0006730400000000 ] - [ 0.0015221100000000, 0.0011436700000000, -0.0015575100000000 ] - [ 0.0017190300000000, -0.0022206300000000, -0.0013681400000000 ] - [ 0.0033114900000000, 0.0015008800000000, 0.0013669300000000 ] - [ 0.0046891400000000, -0.0027107700000000, 0.0020825900000000 ] - [ -0.0041224300000000, 0.0016302000000000, -0.0066564300000000 ] - [ -0.0017925200000000, -0.0000802400000000, -0.0015940500000000 ] - [ 0.0212768300000000, -0.0049434400000000, -0.0136058100000000 ] - [ 0.0002601800000000, 0.0009671100000000, -0.0005400500000000 ] - [ 0.0091136500000000, -0.0079358100000000, 0.0259852600000000 ] - [ 0.0000603700000000, 0.0011090100000000, 0.0006159000000000 ] - [ -0.0042160100000000, 0.0139182200000000, -0.0001219400000000 ] - [ -0.0084823200000000, -0.0156335500000000, -0.0032576600000000 ] - [ -0.4033558600000000, -0.0310640700000000, -0.0372265000000000 ] - [ -0.0023443700000000, -0.0007451000000000, 0.0012058300000000 ] - [ -0.0016527400000000, -0.0070341800000000, -0.0022206500000000 ] - [ -0.0016455000000000, 0.0108451700000000, -0.0053933200000000 ] - [ 0.0043600300000000, 0.0004812100000000, 0.0046515200000000 ] - [ 0.0010256600000000, -0.0002645000000000, 0.0019277900000000 ] - [ 0.0025348700000000, 0.0005631200000000, 0.0020237200000000 ] - [ 0.0015983400000000, -0.0001520900000000, 0.0002112800000000 ] - [ 0.0024499700000000, -0.0010600600000000, 0.0011027400000000 ] - [ 0.0024455200000000, 0.0003928400000000, 0.0011961400000000 ] - [ 0.0058370900000000, 0.0012417700000000, 0.0022644800000000 ] - [ 0.0011832600000000, -0.0003285800000000, -0.0001077100000000 ] - [ -0.0009896900000000, -0.0017388000000000, -0.0053121100000000 ] - [ -0.0007923000000000, 0.0001583600000000, -0.0008750600000000 ] - [ -0.0074046700000000, 0.0019224700000000, -0.0049301100000000 ] - [ -0.0003435700000000, 0.0002716900000000, -0.0022548300000000 ] - [ 0.0422362400000000, 0.0182982300000000, 0.0502640900000000 ] - [ 0.0007979600000000, 0.0002143100000000, 0.0001178600000000 ] - [ 0.0016073500000000, -0.0028367700000000, 0.0024675700000000 ] - [ 0.0046222900000000, -0.0007707900000000, 0.0029776900000000 ] - [ 0.0051799000000000, -0.0001568800000000, -0.0050829600000000 ] - [ 0.0005388500000000, -0.0002140700000000, 0.0005247400000000 ] - [ 0.0059689800000000, 0.0016645900000000, 0.0016155800000000 ] - [ 0.0060640400000000, -0.0020246000000000, 0.0000764800000000 ] - [ 0.2004106300000000, 0.0451912500000000, 0.0137532600000000 ] - [ 0.0013265100000000, 0.0001801800000000, 0.0000696100000000 ] - [ 0.0000710700000000, 0.0007812200000000, 0.0013985400000000 ] - [ -0.0001908400000000, -0.0004523700000000, 0.0002467400000000 ] - [ -0.0015086400000000, 0.0046024000000000, -0.0064094700000000 ] - [ 0.0008708800000000, -0.0009255200000000, -0.0007819500000000 ] - [ 0.0006627600000000, 0.0021069000000000, -0.0007232900000000 ] - [ -0.0043151800000000, -0.0096167200000000, -0.0006009000000000 ] - [ 0.0000684300000000, -0.0038821100000000, 0.0054482600000000 ] - [ 0.0007348100000000, 0.0019512100000000, 0.0013683100000000 ] - [ -0.0013875400000000, 0.0000825100000000, -0.0030783300000000 ] - [ 0.0000030700000000, 0.0001676600000000, -0.0005143100000000 ] - [ -0.0028441400000000, 0.0056667300000000, 0.0021609100000000 ] - [ -0.0006801800000000, -0.0025912900000000, 0.0011773100000000 ] - [ -0.0008646700000000, -0.0005021300000000, -0.0012609900000000 ] - [ -0.0014273100000000, -0.0009685400000000, -0.0023694200000000 ] - [ -0.0031880800000000, -0.0036954900000000, -0.0029109500000000 ] - [ -0.0005279100000000, 0.0012063000000000, -0.0008235000000000 ] - [ -0.0092325800000000, 0.0017386100000000, -0.0015195000000000 ] - [ -0.0002498900000000, -0.0003269000000000, -0.0000669700000000 ] - [ -0.0080192900000000, 0.0009718200000000, 0.0017655500000000 ] - [ -0.0004379500000000, -0.0000852900000000, 0.0002239500000000 ] - [ -0.0022605000000000, 0.0001287200000000, -0.0017716400000000 ] - [ -0.0011579500000000, -0.0003616600000000, -0.0012008000000000 ] - [ -0.0037824200000000, 0.0011740100000000, -0.0029869200000000 ] - [ -0.0011101700000000, 0.0003091500000000, -0.0004627400000000 ] - [ -0.0019445200000000, 0.0011373000000000, -0.0001368900000000 ] - [ -0.0008933900000000, -0.0002865700000000, -0.0000578900000000 ] - [ -0.0017091600000000, 0.0000400700000000, -0.0010141800000000 ] - [ -0.0008452500000000, 0.0009442700000000, -0.0006006700000000 ] - [ -0.0010300800000000, -0.0014824400000000, -0.0026561400000000 ] - [ -0.0002696000000000, 0.0001945200000000, -0.0009322200000000 ] - [ -0.0008415400000000, 0.0007111900000000, 0.0001991500000000 ] - [ -0.0010078000000000, -0.0006423300000000, -0.0000960500000000 ] - [ -0.0015219200000000, -0.0007397800000000, -0.0015409400000000 ] - [ -0.0005143900000000, -0.0006273900000000, -0.0003961900000000 ] - [ -0.0008307300000000, -0.0003586600000000, -0.0007190700000000 ] - [ -0.0010357200000000, 0.0004414500000000, -0.0000563000000000 ] - [ -0.0037766300000000, -0.0000374700000000, -0.0006644600000000 ] - [ -0.0006964600000000, -0.0000208400000000, -0.0002801500000000 ] - [ -0.0020844300000000, -0.0006750400000000, -0.0001334300000000 ] - [ -0.0023890000000000, -0.0001750000000000, 0.0000333300000000 ] - [ 0.0030408000000000, 0.0013580300000000, -0.0020829200000000 ] - [ 0.0007585000000000, -0.0013643300000000, -0.0003858500000000 ] - [ -0.0027591200000000, 0.0015178100000000, 0.0033907500000000 ] - [ -0.0002916700000000, -0.0004832400000000, 0.0006580900000000 ] - [ -0.0037038900000000, -0.0017594000000000, -0.0005565500000000 ] - [ -0.0004261600000000, 0.0004852400000000, -0.0005020000000000 ] - [ -0.0020227000000000, -0.0001210800000000, -0.0022696500000000 ] - [ -0.0007590800000000, 0.0011957400000000, -0.0007690000000000 ] - [ 0.0013722400000000, 0.0002365700000000, 0.0009894500000000 ] - [ 0.0011512200000000, -0.0002064400000000, 0.0008395300000000 ] - [ -0.0051520000000000, 0.0007769300000000, -0.0014901500000000 ] - [ -0.0006380700000000, -0.0003426100000000, -0.0001862300000000 ] - [ 0.0017049000000000, 0.0006682000000000, 0.0074110100000000 ] - [ 0.0004779500000000, -0.0005873700000000, 0.0007505800000000 ] - [ -0.0004882900000000, -0.0013606700000000, 0.0042521000000000 ] - [ 0.0001603100000000, 0.0002237700000000, 0.0011220600000000 ] - [ -0.0010084800000000, -0.0012748800000000, 0.0004837100000000 ] - [ -0.0035537500000000, 0.0034765500000000, 0.0005862800000000 ] - [ -0.0007298500000000, -0.0021611700000000, -0.0008890500000000 ] - [ -0.0008036000000000, 0.0043898600000000, -0.0030648200000000 ] - [ 0.0015084700000000, 0.0013478600000000, 0.0053448500000000 ] - [ 0.0005411200000000, 0.0002380300000000, 0.0005579800000000 ] - [ 0.0000954600000000, 0.0005905200000000, 0.0021383700000000 ] - [ 0.0002089000000000, -0.0001084600000000, 0.0009378000000000 ] - [ 0.0789314800000000, -0.0655543900000000, -0.0070195700000000 ] - [ 0.0006500400000000, -0.0012543800000000, -0.0002054300000000 ] - [ 0.0393004800000000, 0.0358381800000000, -0.0335511800000000 ] - [ 0.0019031300000000, 0.0033437600000000, 0.0019862300000000 ] - [ 0.0006638400000000, -0.0012738600000000, 0.0003118700000000 ] - [ 0.0001472700000000, 0.0006028000000000, 0.0007415800000000 ]- atom: 33 displacement: [ -0.0099999699248486, 0.0000000000000000, -0.0000245255402261 ] forces: - [ 0.0106273900000000, 0.0062685100000000, 0.0000770200000000 ] - [ 0.0022507500000000, -0.0003507000000000, 0.0012314900000000 ] - [ -0.0023527200000000, -0.0015951000000000, -0.0006131600000000 ] - [ -0.0004070000000000, -0.0003575200000000, 0.0003476800000000 ] - [ -0.0178169300000000, -0.0105732800000000, -0.0244438500000000 ] - [ 0.0010837400000000, 0.0001614800000000, -0.0007762200000000 ] - [ -0.0291915400000000, 0.0008560900000000, 0.0188028000000000 ] - [ 0.0012881800000000, -0.0003341600000000, 0.0007175200000000 ] - [ -0.0034157000000000, 0.0012486500000000, -0.0042520700000000 ] - [ -0.0013471500000000, -0.0004593600000000, -0.0016786300000000 ] - [ -0.0044143400000000, 0.0057127000000000, -0.0022586600000000 ] - [ -0.0021066900000000, -0.0031341500000000, -0.0015084900000000 ] - [ -0.0022149600000000, 0.0027694800000000, 0.0021454000000000 ] - [ -0.0012078400000000, -0.0006255300000000, 0.0007766000000000 ] - [ -0.0074423800000000, -0.0007990400000000, -0.0010698300000000 ] - [ -0.0018423000000000, -0.0001665200000000, -0.0004359700000000 ] - [ -0.0018638200000000, -0.0001053600000000, -0.0014358500000000 ] - [ -0.0003967800000000, -0.0002860000000000, -0.0005160200000000 ] - [ 0.0035577200000000, -0.0068002200000000, -0.0021826000000000 ] - [ 0.0027953300000000, 0.0006716200000000, -0.0003009800000000 ] - [ -0.0014901800000000, -0.0022598000000000, 0.0011926300000000 ] - [ -0.0016812900000000, 0.0011259300000000, 0.0009896300000000 ] - [ -0.0021303200000000, -0.0015543400000000, -0.0009968600000000 ] - [ -0.0035043600000000, 0.0026930500000000, -0.0017047500000000 ] - [ 0.0029394800000000, -0.0015926800000000, 0.0062836900000000 ] - [ 0.0006143800000000, 0.0001137400000000, 0.0012219500000000 ] - [ -0.0214262700000000, 0.0061735100000000, 0.0140758600000000 ] - [ -0.0002955900000000, 0.0001274800000000, 0.0009084700000000 ] - [ -0.0090412700000000, 0.0091189500000000, -0.0265096300000000 ] - [ -0.0000251800000000, -0.0000146000000000, -0.0009860300000000 ] - [ 0.0031170600000000, -0.0139053000000000, -0.0002513300000000 ] - [ 0.0072973500000000, 0.0155515400000000, 0.0028699500000000 ] - [ 0.3918814800000000, 0.0239275900000000, 0.0375962600000000 ] - [ 0.0023399400000000, 0.0005251400000000, 0.0000003400000000 ] - [ 0.0016442300000000, 0.0067891300000000, 0.0010097800000000 ] - [ 0.0016379300000000, -0.0110511800000000, 0.0041934000000000 ] - [ -0.0043611000000000, -0.0002677500000000, -0.0034508700000000 ] - [ -0.0010248800000000, 0.0004748500000000, -0.0007253500000000 ] - [ -0.0025388600000000, -0.0003455500000000, -0.0032270600000000 ] - [ -0.0015921100000000, 0.0003737500000000, -0.0014118200000000 ] - [ -0.0024533000000000, 0.0008336000000000, 0.0000967200000000 ] - [ -0.0024517100000000, -0.0006108300000000, 0.0000031000000000 ] - [ -0.0058690800000000, -0.0014534100000000, -0.0034948000000000 ] - [ -0.0011877100000000, 0.0001142100000000, -0.0010954700000000 ] - [ 0.0010047700000000, 0.0019368200000000, 0.0065121800000000 ] - [ 0.0007953700000000, 0.0000615200000000, 0.0020766200000000 ] - [ 0.0074099000000000, -0.0017216100000000, 0.0036916900000000 ] - [ 0.0003470600000000, -0.0000463700000000, 0.0010374900000000 ] - [ -0.0419580700000000, -0.0185703900000000, -0.0502408200000000 ] - [ -0.0009496200000000, -0.0002857700000000, 0.0004131300000000 ] - [ -0.0014246100000000, 0.0014716500000000, -0.0023117000000000 ] - [ -0.0044475400000000, -0.0005714400000000, -0.0028157000000000 ] - [ -0.0054647200000000, 0.0001869800000000, 0.0051961800000000 ] - [ -0.0008373700000000, 0.0002318500000000, -0.0004149400000000 ] - [ -0.0053920400000000, -0.0020717000000000, -0.0018850300000000 ] - [ -0.0055167200000000, 0.0016148400000000, -0.0003472400000000 ] - [ -0.1886899900000000, -0.0421703600000000, -0.0123416600000000 ] - [ -0.0018524100000000, -0.0005793000000000, 0.0001898600000000 ] - [ -0.0000589900000000, -0.0011011800000000, -0.0015749800000000 ] - [ 0.0002034700000000, 0.0001185600000000, -0.0004244400000000 ] - [ 0.0014831800000000, -0.0049143700000000, 0.0065648300000000 ] - [ -0.0008772200000000, 0.0006010800000000, 0.0009630700000000 ] - [ -0.0005122500000000, -0.0021686100000000, 0.0001706800000000 ] - [ 0.0044582100000000, 0.0095693600000000, 0.0000518400000000 ] - [ 0.0000956500000000, 0.0052265300000000, -0.0052897800000000 ] - [ -0.0005676100000000, -0.0006071800000000, -0.0012135700000000 ] - [ 0.0016939800000000, -0.0000669800000000, 0.0029764000000000 ] - [ 0.0003042300000000, -0.0001461200000000, 0.0004078100000000 ] - [ 0.0025067900000000, -0.0056868000000000, -0.0020496200000000 ] - [ 0.0003665000000000, 0.0025411500000000, -0.0010671800000000 ] - [ 0.0006918800000000, -0.0008261500000000, 0.0011263900000000 ] - [ 0.0012493700000000, -0.0003787500000000, 0.0022259200000000 ] - [ 0.0030306900000000, 0.0037708500000000, 0.0034387400000000 ] - [ 0.0003660800000000, -0.0011323900000000, 0.0013468400000000 ] - [ 0.0092766400000000, -0.0014323300000000, 0.0013510500000000 ] - [ 0.0002589400000000, 0.0006502800000000, -0.0001137000000000 ] - [ 0.0080032900000000, -0.0006423800000000, -0.0015825600000000 ] - [ 0.0004282900000000, 0.0004070900000000, -0.0000459500000000 ] - [ 0.0028044300000000, 0.0002781200000000, 0.0015157500000000 ] - [ 0.0017145700000000, 0.0007726500000000, 0.0009472500000000 ] - [ 0.0032796300000000, -0.0007782500000000, 0.0032466300000000 ] - [ 0.0005986600000000, 0.0000963800000000, 0.0007241700000000 ] - [ 0.0022455300000000, -0.0011515600000000, 0.0000296500000000 ] - [ 0.0012226900000000, 0.0002428100000000, -0.0000505700000000 ] - [ 0.0015436300000000, 0.0013214200000000, 0.0008532600000000 ] - [ 0.0006632600000000, 0.0003980600000000, 0.0004689700000000 ] - [ 0.0011686600000000, 0.0015609100000000, 0.0021120600000000 ] - [ 0.0004121600000000, -0.0001340100000000, 0.0003741900000000 ] - [ 0.0006800700000000, -0.0007806500000000, 0.0003281500000000 ] - [ 0.0008629400000000, 0.0005794400000000, 0.0006500900000000 ] - [ 0.0017018200000000, -0.0006070700000000, 0.0016909900000000 ] - [ 0.0006839800000000, -0.0007292700000000, 0.0005564700000000 ] - [ 0.0005093800000000, 0.0003948800000000, 0.0008256900000000 ] - [ 0.0007072000000000, -0.0004009700000000, 0.0001650200000000 ] - [ 0.0042876600000000, -0.0003644700000000, 0.0004095500000000 ] - [ 0.0012220100000000, -0.0003925800000000, 0.0000223500000000 ] - [ 0.0015854900000000, 0.0002758500000000, 0.0003962100000000 ] - [ 0.0018408900000000, -0.0002338900000000, 0.0002153700000000 ] - [ -0.0030377500000000, -0.0016781500000000, 0.0018912300000000 ] - [ -0.0007499000000000, 0.0010319300000000, 0.0002048000000000 ] - [ 0.0027664700000000, -0.0018547000000000, -0.0032217300000000 ] - [ 0.0002870500000000, 0.0001575200000000, -0.0004862000000000 ] - [ 0.0039050900000000, 0.0016813200000000, 0.0000314200000000 ] - [ 0.0005764900000000, -0.0005595200000000, -0.0000266100000000 ] - [ 0.0022166300000000, 0.0014550400000000, 0.0024119000000000 ] - [ 0.0009324600000000, 0.0001365900000000, 0.0009125300000000 ] - [ -0.0010500000000000, -0.0001956700000000, -0.0010993200000000 ] - [ -0.0008521100000000, 0.0002262400000000, -0.0009573100000000 ] - [ 0.0048748500000000, -0.0008146800000000, 0.0016096600000000 ] - [ 0.0003251600000000, 0.0003117900000000, 0.0002956000000000 ] - [ -0.0018848700000000, -0.0020067700000000, -0.0075426700000000 ] - [ -0.0006553300000000, -0.0007585000000000, -0.0009085500000000 ] - [ 0.0003381100000000, 0.0014434900000000, -0.0037198500000000 ] - [ -0.0003171600000000, -0.0001519800000000, -0.0005811500000000 ] - [ 0.0010082200000000, 0.0016121400000000, -0.0006654100000000 ] - [ 0.0035303900000000, -0.0031409800000000, -0.0007601500000000 ] - [ 0.0007075100000000, 0.0024881500000000, 0.0010650300000000 ] - [ 0.0007929200000000, -0.0040634200000000, 0.0032286900000000 ] - [ -0.0009980500000000, -0.0009488500000000, -0.0056069100000000 ] - [ -0.0000311400000000, 0.0001689500000000, -0.0008196600000000 ] - [ -0.0006343000000000, -0.0001761100000000, -0.0018692200000000 ] - [ -0.0007404500000000, 0.0005161900000000, -0.0006723700000000 ] - [ -0.0805567800000000, 0.0690309300000000, 0.0072437700000000 ] - [ -0.0003412000000000, 0.0012133400000000, 0.0000893000000000 ] - [ -0.0389782500000000, -0.0345617300000000, 0.0334863800000000 ] - [ -0.0020758100000000, -0.0019894400000000, -0.0021306100000000 ] - [ -0.0005119400000000, 0.0013472200000000, -0.0008534000000000 ] - [ 0.0000123400000000, -0.0005250900000000, -0.0012662800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0122165900000000, -0.0026207400000000, -0.0205699600000000 ] - [ 0.0021192100000000, 0.0048397300000000, 0.0022299200000000 ] - [ 0.0005516900000000, -0.0030922400000000, 0.0002974400000000 ] - [ -0.0005593100000000, 0.0015677500000000, -0.0003821600000000 ] - [ 0.0058821200000000, -0.0027215000000000, 0.0059189200000000 ] - [ -0.0006810000000000, 0.0025792300000000, -0.0006348700000000 ] - [ 0.0055709800000000, -0.0057781000000000, -0.0039383600000000 ] - [ 0.0001198200000000, 0.0037197600000000, -0.0001070800000000 ] - [ -0.0015937300000000, -0.0013566300000000, -0.0009650900000000 ] - [ -0.0007528100000000, 0.0015626800000000, -0.0001885800000000 ] - [ -0.0020128300000000, -0.0013578300000000, 0.0005011800000000 ] - [ 0.0009403700000000, 0.0025046200000000, 0.0006918000000000 ] - [ -0.0009430600000000, -0.0004009700000000, -0.0018509000000000 ] - [ 0.0007670100000000, 0.0020290300000000, 0.0000844900000000 ] - [ 0.0001244000000000, -0.0016686200000000, -0.0000367600000000 ] - [ -0.0006490700000000, 0.0015666600000000, -0.0002063300000000 ] - [ -0.0013047600000000, -0.0022008300000000, -0.0001198900000000 ] - [ 0.0015320100000000, 0.0017766800000000, 0.0010293900000000 ] - [ 0.0023793100000000, 0.0041840700000000, 0.0110363100000000 ] - [ -0.0002387400000000, 0.0029927600000000, -0.0034331200000000 ] - [ 0.0027460400000000, -0.0020774700000000, -0.0002771000000000 ] - [ -0.0020442000000000, 0.0024494700000000, 0.0010511300000000 ] - [ 0.0046126600000000, -0.0001451400000000, 0.0014084700000000 ] - [ -0.0034095200000000, 0.0024409600000000, -0.0018124800000000 ] - [ -0.0010108900000000, -0.0029405200000000, -0.0001334200000000 ] - [ -0.0006038400000000, 0.0027512000000000, 0.0006840600000000 ] - [ -0.0156748900000000, -0.0090590600000000, 0.0116711100000000 ] - [ 0.0012589000000000, 0.0048707400000000, -0.0002277800000000 ] - [ -0.0050267200000000, -0.0131666600000000, -0.0192207400000000 ] - [ 0.0004281900000000, 0.0050161700000000, 0.0006647700000000 ] - [ 0.0132656600000000, 0.0364951300000000, 0.0009223400000000 ] - [ -0.0033329700000000, 0.0292126900000000, 0.0022687900000000 ] - [ -0.0239560400000000, -0.3222919900000000, 0.0286052100000000 ] - [ -0.0006263700000000, 0.0062667200000000, 0.0000874900000000 ] - [ -0.0108879500000000, 0.0026688100000000, -0.0004402300000000 ] - [ 0.0069360300000000, 0.0026656800000000, -0.0014149500000000 ] - [ -0.0003710800000000, -0.0011588900000000, 0.0006015800000000 ] - [ 0.0003757700000000, 0.0012760700000000, 0.0005437900000000 ] - [ 0.0004403200000000, -0.0009851600000000, 0.0012695400000000 ] - [ -0.0002670300000000, 0.0018037700000000, -0.0009794600000000 ] - [ 0.0005048700000000, -0.0000228000000000, 0.0004950200000000 ] - [ -0.0009408400000000, -0.0000299500000000, 0.0005277200000000 ] - [ -0.0013391400000000, -0.0048491700000000, -0.0007755400000000 ] - [ 0.0002149700000000, 0.0023059900000000, -0.0006768800000000 ] - [ 0.0018464900000000, -0.0026885500000000, -0.0006904100000000 ] - [ -0.0000467400000000, 0.0027689800000000, 0.0008007500000000 ] - [ 0.0017929000000000, -0.0030265600000000, 0.0089782200000000 ] - [ 0.0001648300000000, 0.0049320900000000, -0.0037031700000000 ] - [ 0.0170556600000000, 0.0513808300000000, 0.0554002500000000 ] - [ 0.0005490500000000, -0.0036603400000000, 0.0000703700000000 ] - [ 0.0009764400000000, -0.0058103600000000, 0.0043656400000000 ] - [ -0.0017519900000000, -0.0049341500000000, -0.0068751100000000 ] - [ 0.0005423500000000, 0.0069603500000000, -0.0014281300000000 ] - [ 0.0004880900000000, -0.0034845500000000, 0.0003794700000000 ] - [ 0.0057881100000000, -0.0076326100000000, -0.0054055100000000 ] - [ -0.0030628600000000, -0.0046784800000000, 0.0029230800000000 ] - [ 0.0424731300000000, 0.0308968500000000, 0.0042558400000000 ] - [ -0.0005364700000000, -0.0021650000000000, 0.0001335900000000 ] - [ 0.0017740000000000, 0.0020742300000000, 0.0033035700000000 ] - [ -0.0003242400000000, -0.0013294100000000, -0.0004546700000000 ] - [ 0.0042215700000000, 0.0026625000000000, -0.0003877100000000 ] - [ -0.0004926400000000, -0.0016840900000000, -0.0000028500000000 ] - [ 0.0021855700000000, -0.0013214900000000, 0.0007698500000000 ] - [ -0.0017877100000000, 0.0001933000000000, -0.0005037100000000 ] - [ -0.0013632500000000, 0.0011378200000000, 0.0009537100000000 ] - [ 0.0021077300000000, -0.0018085700000000, -0.0006868200000000 ] - [ 0.0004020900000000, 0.0016971300000000, -0.0002492900000000 ] - [ 0.0000383800000000, -0.0011933300000000, 0.0000789300000000 ] - [ 0.0018598500000000, 0.0025988100000000, 0.0004391700000000 ] - [ -0.0015321900000000, -0.0020136200000000, 0.0001748300000000 ] - [ -0.0004018200000000, -0.0008987200000000, -0.0005085200000000 ] - [ 0.0005140800000000, -0.0008148200000000, 0.0008017600000000 ] - [ -0.0006640700000000, -0.0003835800000000, -0.0003380500000000 ] - [ 0.0001407300000000, -0.0005440200000000, 0.0005996400000000 ] - [ -0.0031879200000000, 0.0020396900000000, -0.0008323500000000 ] - [ 0.0003425600000000, -0.0012201600000000, -0.0000696600000000 ] - [ -0.0016211500000000, 0.0020581100000000, 0.0006809800000000 ] - [ -0.0000356400000000, -0.0010948300000000, 0.0001665100000000 ] - [ 0.0000953600000000, 0.0004814500000000, -0.0005898300000000 ] - [ 0.0001898000000000, -0.0003609600000000, -0.0001834900000000 ] - [ 0.0002555100000000, 0.0006912300000000, 0.0002975600000000 ] - [ -0.0005317000000000, -0.0005449600000000, -0.0000843700000000 ] - [ 0.0003169700000000, 0.0009525900000000, 0.0000246200000000 ] - [ 0.0002202400000000, -0.0008108900000000, -0.0000802800000000 ] - [ 0.0001663900000000, 0.0011514000000000, 0.0001551500000000 ] - [ -0.0003061400000000, 0.0000928300000000, -0.0003014000000000 ] - [ -0.0021774900000000, 0.0022860600000000, -0.0033083600000000 ] - [ 0.0003890500000000, -0.0020950600000000, -0.0002511600000000 ] - [ 0.0001331100000000, -0.0005643000000000, 0.0005606100000000 ] - [ -0.0000928500000000, 0.0001879000000000, 0.0002226700000000 ] - [ 0.0001771000000000, 0.0009758400000000, -0.0010540000000000 ] - [ 0.0000050000000000, -0.0019281200000000, 0.0002155000000000 ] - [ -0.0007300500000000, -0.0001194100000000, -0.0007821800000000 ] - [ 0.0007607100000000, -0.0005865100000000, 0.0000812400000000 ] - [ 0.0006707500000000, 0.0008676300000000, -0.0000595300000000 ] - [ 0.0004646000000000, -0.0009435100000000, 0.0000517200000000 ] - [ -0.0012291800000000, 0.0000746400000000, 0.0001154300000000 ] - [ 0.0010519400000000, -0.0005962800000000, 0.0000512700000000 ] - [ 0.0008349000000000, 0.0014443600000000, 0.0016788300000000 ] - [ -0.0005912600000000, -0.0022762600000000, -0.0013477400000000 ] - [ 0.0033398200000000, -0.0014601800000000, -0.0024572100000000 ] - [ -0.0006589100000000, -0.0011133600000000, 0.0001723300000000 ] - [ 0.0002840400000000, 0.0040873900000000, -0.0002540400000000 ] - [ -0.0000025200000000, -0.0022799000000000, -0.0000129500000000 ] - [ -0.0005694500000000, 0.0027635300000000, 0.0006582400000000 ] - [ 0.0005332300000000, -0.0009970900000000, 0.0001501800000000 ] - [ 0.0007824100000000, 0.0002801200000000, -0.0013041200000000 ] - [ -0.0004071800000000, -0.0009542000000000, 0.0004555500000000 ] - [ 0.0045531500000000, 0.0018198700000000, 0.0026165800000000 ] - [ -0.0011531000000000, -0.0018313500000000, -0.0000574000000000 ] - [ 0.0010508400000000, 0.0027729300000000, 0.0004399700000000 ] - [ -0.0000447300000000, -0.0027356100000000, -0.0001753100000000 ] - [ -0.0024436300000000, 0.0038640900000000, 0.0002448300000000 ] - [ -0.0002853700000000, -0.0021659500000000, 0.0003531900000000 ] - [ -0.0058173700000000, -0.0022146600000000, 0.0005630700000000 ] - [ 0.0063915300000000, -0.0039457300000000, -0.0013184600000000 ] - [ -0.0032107200000000, -0.0025200800000000, -0.0026837600000000 ] - [ 0.0027098100000000, -0.0026382800000000, 0.0052913100000000 ] - [ 0.0012576300000000, 0.0017572100000000, -0.0044607600000000 ] - [ -0.0007615100000000, -0.0014361100000000, 0.0002773900000000 ] - [ -0.0016153100000000, 0.0006438900000000, 0.0031933800000000 ] - [ -0.0000209400000000, -0.0008115400000000, -0.0003361500000000 ] - [ -0.0680158300000000, 0.1126328400000000, 0.0085614100000000 ] - [ 0.0001891400000000, -0.0068088900000000, -0.0002241100000000 ] - [ 0.0364137600000000, 0.0996879800000000, -0.0808490300000000 ] - [ -0.0011616800000000, -0.0048707600000000, -0.0009567500000000 ] - [ -0.0008590400000000, 0.0006287500000000, -0.0018035800000000 ] - [ 0.0006673400000000, -0.0011701300000000, 0.0011649600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0133727600000000, 0.0026807500000000, 0.0209499100000000 ] - [ -0.0009298600000000, -0.0048091600000000, -0.0018550000000000 ] - [ -0.0005849700000000, 0.0019877200000000, 0.0000720700000000 ] - [ 0.0005262400000000, -0.0026575000000000, 0.0007596500000000 ] - [ -0.0058651400000000, 0.0015696800000000, -0.0063036700000000 ] - [ 0.0007253800000000, -0.0036711700000000, 0.0002738200000000 ] - [ -0.0044525700000000, 0.0057548800000000, 0.0043137500000000 ] - [ 0.0010645400000000, -0.0037405000000000, 0.0004743000000000 ] - [ 0.0004090100000000, 0.0013878800000000, 0.0006032500000000 ] - [ -0.0004269300000000, -0.0015490900000000, -0.0001737700000000 ] - [ 0.0019808900000000, 0.0024782300000000, -0.0001139300000000 ] - [ -0.0009709600000000, -0.0014112900000000, -0.0003077700000000 ] - [ 0.0009927500000000, 0.0015098200000000, 0.0014615300000000 ] - [ -0.0007174800000000, -0.0009449400000000, -0.0004596600000000 ] - [ -0.0012999800000000, 0.0016505500000000, -0.0003243700000000 ] - [ -0.0005253600000000, -0.0015798500000000, -0.0001557600000000 ] - [ 0.0024880100000000, 0.0022018100000000, 0.0004906200000000 ] - [ -0.0003511100000000, -0.0017480200000000, -0.0006702300000000 ] - [ -0.0024605700000000, -0.0052006800000000, -0.0107551600000000 ] - [ 0.0001853700000000, -0.0040887300000000, 0.0037828800000000 ] - [ -0.0027071200000000, 0.0010083600000000, -0.0000895600000000 ] - [ 0.0020888600000000, -0.0035521300000000, -0.0014344100000000 ] - [ -0.0034449000000000, 0.0001454100000000, -0.0010467900000000 ] - [ 0.0045859600000000, -0.0024740700000000, 0.0021890800000000 ] - [ -0.0001792100000000, 0.0029331400000000, -0.0002375300000000 ] - [ -0.0005836000000000, -0.0027289000000000, -0.0010693600000000 ] - [ 0.0156934300000000, 0.0101415900000000, -0.0113508500000000 ] - [ -0.0013130800000000, -0.0037855100000000, 0.0006060400000000 ] - [ 0.0050685900000000, 0.0141471600000000, 0.0188641200000000 ] - [ -0.0004027100000000, -0.0039297800000000, -0.0010443200000000 ] - [ -0.0146717100000000, -0.0368675500000000, -0.0011823700000000 ] - [ 0.0019961200000000, -0.0291451400000000, -0.0026305900000000 ] - [ 0.0311176100000000, 0.3203722400000000, -0.0315437700000000 ] - [ 0.0006328400000000, -0.0065023600000000, 0.0011116100000000 ] - [ 0.0110155700000000, -0.0028941600000000, -0.0007492400000000 ] - [ -0.0068864500000000, -0.0028972500000000, 0.0001976400000000 ] - [ 0.0003733200000000, 0.0013769700000000, 0.0006072400000000 ] - [ -0.0003726300000000, -0.0010465000000000, 0.0006573000000000 ] - [ -0.0004499200000000, 0.0012254800000000, -0.0024677600000000 ] - [ 0.0002693000000000, -0.0015790500000000, -0.0002314500000000 ] - [ -0.0005034200000000, -0.0001964400000000, 0.0007048900000000 ] - [ 0.0009520100000000, -0.0002005400000000, 0.0006709100000000 ] - [ 0.0013540900000000, 0.0046317900000000, -0.0004224400000000 ] - [ -0.0002215700000000, -0.0025328100000000, -0.0005220100000000 ] - [ -0.0018385900000000, 0.0029415000000000, 0.0018856100000000 ] - [ 0.0000442700000000, -0.0025496600000000, 0.0003947000000000 ] - [ -0.0018083200000000, 0.0031937300000000, -0.0101420500000000 ] - [ -0.0001601400000000, -0.0046975600000000, 0.0025099000000000 ] - [ -0.0175323100000000, -0.0510585000000000, -0.0556011200000000 ] - [ -0.0007016700000000, 0.0035712600000000, 0.0004507200000000 ] - [ -0.0007783600000000, 0.0044533900000000, -0.0042453300000000 ] - [ 0.0019553500000000, 0.0035893300000000, 0.0069521800000000 ] - [ -0.0008403500000000, -0.0069263400000000, 0.0015572200000000 ] - [ -0.0007983800000000, 0.0035155400000000, -0.0002663900000000 ] - [ -0.0053181900000000, 0.0073228300000000, 0.0052388300000000 ] - [ 0.0035808300000000, 0.0042297300000000, -0.0031536200000000 ] - [ -0.0432194500000000, -0.0318366600000000, -0.0040011000000000 ] - [ 0.0000080800000000, 0.0017680900000000, 0.0001133900000000 ] - [ -0.0017635600000000, -0.0024002100000000, -0.0034767100000000 ] - [ 0.0003302100000000, 0.0009990300000000, 0.0002757600000000 ] - [ -0.0042305400000000, -0.0029973600000000, 0.0005658500000000 ] - [ 0.0004745200000000, 0.0013581800000000, 0.0001750300000000 ] - [ -0.0020469300000000, 0.0012354400000000, -0.0013090600000000 ] - [ 0.0019256600000000, -0.0002649900000000, -0.0000424200000000 ] - [ 0.0015363900000000, 0.0002315900000000, -0.0007948600000000 ] - [ -0.0019482100000000, 0.0031585300000000, 0.0008476400000000 ] - [ -0.0000929600000000, -0.0016753000000000, 0.0001469400000000 ] - [ 0.0002770200000000, 0.0012289700000000, -0.0001899800000000 ] - [ -0.0022010400000000, -0.0026598200000000, -0.0003283300000000 ] - [ 0.0012069600000000, 0.0019779500000000, -0.0000588500000000 ] - [ 0.0002209600000000, -0.0004387600000000, 0.0003661300000000 ] - [ -0.0007069700000000, -0.0005236100000000, -0.0009370300000000 ] - [ 0.0005043800000000, 0.0004899600000000, 0.0008532700000000 ] - [ -0.0003031200000000, 0.0006279200000000, -0.0000758100000000 ] - [ 0.0032262200000000, -0.0017170000000000, 0.0006636400000000 ] - [ -0.0003367100000000, 0.0015523500000000, -0.0001071200000000 ] - [ 0.0016228400000000, -0.0017332400000000, -0.0005073200000000 ] - [ 0.0000169200000000, 0.0014239900000000, 0.0000109600000000 ] - [ 0.0004275300000000, -0.0000854200000000, 0.0003374700000000 ] - [ 0.0003609400000000, 0.0007826200000000, -0.0000781000000000 ] - [ -0.0007723600000000, -0.0002872300000000, -0.0000490400000000 ] - [ 0.0000124300000000, 0.0009576400000000, 0.0003421900000000 ] - [ 0.0000045500000000, -0.0009906800000000, -0.0001335300000000 ] - [ 0.0000918200000000, 0.0007879400000000, -0.0000295000000000 ] - [ -0.0003499700000000, 0.0001937700000000, -0.0003044100000000 ] - [ 0.0001143100000000, 0.0012454800000000, 0.0001661400000000 ] - [ 0.0023301200000000, -0.0022050500000000, 0.0027629400000000 ] - [ -0.0002307200000000, 0.0021799900000000, -0.0002751700000000 ] - [ -0.0002966000000000, 0.0004760800000000, -0.0000408800000000 ] - [ -0.0000706300000000, -0.0002631700000000, 0.0003036200000000 ] - [ 0.0000112200000000, -0.0023160600000000, 0.0011931600000000 ] - [ 0.0001733700000000, 0.0005736500000000, -0.0000596800000000 ] - [ 0.0004100400000000, 0.0001490800000000, 0.0008932100000000 ] - [ -0.0010948900000000, 0.0006466900000000, 0.0000318300000000 ] - [ -0.0001414900000000, -0.0012716200000000, -0.0001905300000000 ] - [ 0.0000514300000000, 0.0005439300000000, -0.0002996900000000 ] - [ 0.0007069600000000, -0.0004819900000000, 0.0001282400000000 ] - [ -0.0015850500000000, 0.0001969700000000, 0.0001948400000000 ] - [ -0.0008091100000000, -0.0017492100000000, -0.0018558000000000 ] - [ 0.0006143500000000, 0.0019497300000000, 0.0011844800000000 ] - [ -0.0033598600000000, 0.0011395800000000, 0.0026434300000000 ] - [ 0.0006532200000000, 0.0007812800000000, 0.0000074700000000 ] - [ -0.0001350300000000, -0.0041818900000000, -0.0002708700000000 ] - [ 0.0001663500000000, 0.0022012400000000, -0.0005029900000000 ] - [ 0.0007557700000000, -0.0014301700000000, -0.0005129100000000 ] - [ -0.0003488300000000, 0.0023348200000000, -0.0000090200000000 ] - [ -0.0004513200000000, -0.0002323100000000, 0.0012011900000000 ] - [ 0.0007258700000000, 0.0009968500000000, -0.0005612600000000 ] - [ -0.0048884700000000, -0.0018527700000000, -0.0025045300000000 ] - [ 0.0008412900000000, 0.0018067500000000, 0.0001682600000000 ] - [ -0.0012230800000000, -0.0041345800000000, -0.0006206400000000 ] - [ -0.0001387000000000, 0.0013947300000000, 0.0000320400000000 ] - [ 0.0022838000000000, -0.0037892300000000, 0.0003025500000000 ] - [ 0.0001283400000000, 0.0022636000000000, 0.0001777600000000 ] - [ 0.0058609000000000, 0.0025371200000000, -0.0007528000000000 ] - [ -0.0064025700000000, 0.0043264600000000, 0.0011552700000000 ] - [ 0.0032167200000000, 0.0028484200000000, 0.0028792300000000 ] - [ -0.0026960500000000, 0.0029792900000000, -0.0051158700000000 ] - [ -0.0007530900000000, -0.0013407600000000, 0.0042056200000000 ] - [ 0.0012859800000000, 0.0018475300000000, -0.0005400300000000 ] - [ 0.0010595000000000, -0.0002348200000000, -0.0029242100000000 ] - [ -0.0005141500000000, 0.0012166700000000, 0.0005899900000000 ] - [ 0.0637347200000000, -0.1081699300000000, -0.0081133400000000 ] - [ 0.0001285800000000, 0.0068066300000000, 0.0001058500000000 ] - [ -0.0382566000000000, -0.1009631900000000, 0.0849093900000000 ] - [ 0.0009757100000000, 0.0062134100000000, 0.0008155900000000 ] - [ 0.0010273000000000, -0.0005138900000000, 0.0012956000000000 ] - [ -0.0005107800000000, 0.0012553200000000, -0.0017020900000000 ]- atom: 33 displacement: [ -0.0053126970990986, 0.0000000000000000, 0.0084720274747683 ] forces: - [ 0.0152459300000000, -0.0058226100000000, 0.0212213000000000 ] - [ 0.0018702900000000, 0.0009523200000000, 0.0010674800000000 ] - [ 0.0004009400000000, -0.0005204300000000, 0.0036865200000000 ] - [ 0.0004060300000000, -0.0008957200000000, 0.0010892000000000 ] - [ 0.0001445100000000, -0.0031151300000000, -0.0131187100000000 ] - [ 0.0016468400000000, -0.0004641900000000, -0.0010475000000000 ] - [ -0.0204479200000000, -0.0004579400000000, 0.0084553800000000 ] - [ 0.0005556000000000, 0.0001338400000000, 0.0001854000000000 ] - [ 0.0017780800000000, 0.0002079700000000, -0.0005864600000000 ] - [ -0.0000266500000000, -0.0004181300000000, -0.0006771000000000 ] - [ 0.0000366300000000, 0.0022523300000000, -0.0019261900000000 ] - [ -0.0005126400000000, -0.0012839400000000, -0.0005967100000000 ] - [ -0.0020692100000000, 0.0010177800000000, 0.0030803000000000 ] - [ -0.0009606800000000, 0.0007268100000000, 0.0012977000000000 ] - [ -0.0028411600000000, -0.0001884900000000, 0.0008689400000000 ] - [ -0.0008780300000000, -0.0000596000000000, 0.0001690400000000 ] - [ -0.0006273000000000, -0.0011252300000000, 0.0026099400000000 ] - [ 0.0004583600000000, 0.0007689400000000, 0.0009913600000000 ] - [ -0.0000090100000000, 0.0131333700000000, 0.0114472600000000 ] - [ 0.0012630000000000, -0.0023462000000000, -0.0005355900000000 ] - [ -0.0035863500000000, -0.0018015700000000, 0.0017807800000000 ] - [ -0.0015589300000000, 0.0001757600000000, 0.0007894200000000 ] - [ 0.0018489300000000, 0.0004578800000000, -0.0023021800000000 ] - [ -0.0007872400000000, 0.0006013000000000, -0.0012824700000000 ] - [ -0.0041826300000000, -0.0025419300000000, 0.0074517000000000 ] - [ -0.0019513100000000, 0.0009056600000000, 0.0015933700000000 ] - [ -0.0207384500000000, 0.0080705000000000, 0.0065606600000000 ] - [ -0.0013383500000000, -0.0004201200000000, 0.0004754400000000 ] - [ 0.0154958100000000, -0.0155660300000000, 0.0006928500000000 ] - [ 0.0003913400000000, 0.0019995400000000, -0.0012894100000000 ] - [ -0.0023822800000000, -0.0153947200000000, -0.0186319900000000 ] - [ 0.0025132500000000, 0.0103057100000000, -0.0013651400000000 ] - [ 0.1812648700000000, 0.0425574200000000, -0.2804870500000000 ] - [ 0.0017532700000000, -0.0002055600000000, -0.0012822100000000 ] - [ -0.0031781200000000, 0.0042367300000000, -0.0012671300000000 ] - [ -0.0004887300000000, -0.0060549400000000, 0.0004254200000000 ] - [ 0.0011197000000000, -0.0000869800000000, -0.0011397900000000 ] - [ 0.0005813600000000, 0.0003540100000000, 0.0003565600000000 ] - [ 0.0008723500000000, 0.0014591300000000, 0.0022275400000000 ] - [ -0.0001629300000000, -0.0000648600000000, -0.0006118700000000 ] - [ -0.0007953200000000, 0.0003351100000000, 0.0012612600000000 ] - [ -0.0008867900000000, -0.0004682300000000, 0.0012118200000000 ] - [ -0.0006483600000000, -0.0006732600000000, -0.0030427300000000 ] - [ -0.0001889100000000, 0.0000679600000000, -0.0009310500000000 ] - [ -0.0044977400000000, 0.0021477200000000, 0.0090533800000000 ] - [ -0.0008320100000000, -0.0000876500000000, 0.0017120100000000 ] - [ 0.0002846100000000, 0.0072924700000000, 0.0068669600000000 ] - [ -0.0012125600000000, -0.0026080900000000, 0.0026747100000000 ] - [ 0.0165791800000000, 0.0352716300000000, 0.1090891300000000 ] - [ -0.0003377000000000, 0.0003006500000000, 0.0014927100000000 ] - [ -0.0007559100000000, 0.0064369900000000, -0.0028766600000000 ] - [ -0.0016411400000000, -0.0034600100000000, -0.0012353800000000 ] - [ -0.0060804400000000, -0.0040512800000000, -0.0045517300000000 ] - [ -0.0011275300000000, 0.0012864500000000, -0.0006030100000000 ] - [ 0.0003673400000000, -0.0065199700000000, 0.0037507800000000 ] - [ -0.0020769700000000, 0.0014070000000000, 0.0007996900000000 ] - [ -0.0906669900000000, -0.0193103500000000, 0.0160154300000000 ] - [ -0.0013851100000000, -0.0004261000000000, 0.0006929700000000 ] - [ -0.0019620600000000, -0.0004265000000000, -0.0042335300000000 ] - [ -0.0003457300000000, -0.0001128700000000, -0.0005770300000000 ] - [ -0.0045138600000000, -0.0021566200000000, 0.0029737100000000 ] - [ -0.0011504300000000, 0.0001898800000000, 0.0005835500000000 ] - [ 0.0001837100000000, -0.0011114400000000, 0.0010872000000000 ] - [ 0.0019865300000000, 0.0042691000000000, 0.0003030700000000 ] - [ 0.0012575700000000, 0.0035396800000000, -0.0019965800000000 ] - [ 0.0008847700000000, -0.0005837400000000, -0.0008512200000000 ] - [ -0.0010454600000000, -0.0004498400000000, 0.0011854600000000 ] - [ -0.0001726100000000, -0.0000153400000000, 0.0000807000000000 ] - [ 0.0026546500000000, -0.0027693400000000, -0.0008924000000000 ] - [ 0.0003456700000000, 0.0012253400000000, -0.0004418600000000 ] - [ -0.0003057100000000, -0.0007027200000000, 0.0001370000000000 ] - [ -0.0001199900000000, -0.0004043400000000, 0.0008673900000000 ] - [ 0.0005527900000000, 0.0019079200000000, 0.0014747300000000 ] - [ -0.0004058700000000, -0.0003592200000000, 0.0006998200000000 ] - [ 0.0038579100000000, -0.0004810800000000, 0.0014249400000000 ] - [ -0.0000967000000000, 0.0004677800000000, 0.0000572500000000 ] - [ 0.0036874200000000, -0.0002947600000000, -0.0018251200000000 ] - [ 0.0003770900000000, 0.0002083100000000, -0.0003262300000000 ] - [ -0.0009149600000000, -0.0003069900000000, -0.0002755600000000 ] - [ 0.0005176800000000, 0.0005399000000000, 0.0002541800000000 ] - [ -0.0016342600000000, 0.0007704200000000, -0.0010229700000000 ] - [ -0.0006558700000000, 0.0000405500000000, 0.0001171000000000 ] - [ 0.0009184800000000, -0.0007170000000000, -0.0003780200000000 ] - [ 0.0006051000000000, 0.0000500500000000, -0.0003427700000000 ] - [ 0.0003040500000000, 0.0012788600000000, -0.0006317900000000 ] - [ -0.0000061600000000, 0.0005547400000000, -0.0004318000000000 ] - [ -0.0015736300000000, 0.0000000300000000, -0.0047780400000000 ] - [ -0.0000527800000000, -0.0001358600000000, -0.0002376500000000 ] - [ 0.0000570900000000, -0.0001725000000000, -0.0002873200000000 ] - [ 0.0001430400000000, -0.0000574400000000, -0.0004068900000000 ] - [ 0.0005002100000000, -0.0004316300000000, -0.0013156200000000 ] - [ 0.0001808000000000, -0.0007402700000000, -0.0000790100000000 ] - [ 0.0004534600000000, -0.0009490500000000, -0.0017199100000000 ] - [ 0.0002319000000000, 0.0005932300000000, -0.0005141700000000 ] - [ 0.0012893000000000, -0.0001694700000000, -0.0004792800000000 ] - [ 0.0004364200000000, -0.0002362800000000, -0.0002844900000000 ] - [ 0.0004131500000000, -0.0000404300000000, 0.0003509600000000 ] - [ 0.0005062300000000, -0.0001598900000000, 0.0001036600000000 ] - [ 0.0003546000000000, 0.0030556800000000, -0.0036922200000000 ] - [ 0.0001517900000000, -0.0023078000000000, -0.0007926900000000 ] - [ 0.0033012500000000, -0.0012642500000000, -0.0029715500000000 ] - [ 0.0009756500000000, -0.0001349300000000, -0.0009255000000000 ] - [ 0.0024361300000000, 0.0007272200000000, 0.0008328300000000 ] - [ 0.0004426000000000, -0.0002328200000000, -0.0000145800000000 ] - [ -0.0010254200000000, 0.0009694300000000, 0.0009054100000000 ] - [ 0.0002201300000000, 0.0005644400000000, 0.0003820000000000 ] - [ 0.0021347500000000, -0.0002267100000000, -0.0026113300000000 ] - [ 0.0006334000000000, 0.0008450200000000, -0.0009261500000000 ] - [ 0.0006519900000000, 0.0002007400000000, 0.0028648900000000 ] - [ -0.0003613100000000, -0.0002336600000000, 0.0006993000000000 ] - [ 0.0036999600000000, -0.0017712500000000, -0.0074896400000000 ] - [ 0.0000823000000000, -0.0009760300000000, -0.0005972300000000 ] - [ 0.0032294700000000, 0.0011410400000000, -0.0044904500000000 ] - [ 0.0002592600000000, 0.0002472600000000, -0.0002895400000000 ] - [ 0.0032418400000000, 0.0020807100000000, 0.0006803200000000 ] - [ 0.0022564400000000, -0.0016876300000000, -0.0001403300000000 ] - [ -0.0024229500000000, -0.0047268800000000, 0.0032686000000000 ] - [ 0.0004977500000000, -0.0003435800000000, 0.0044867900000000 ] - [ 0.0032570800000000, -0.0021139600000000, -0.0049698700000000 ] - [ 0.0018910900000000, 0.0008267100000000, -0.0011091700000000 ] - [ 0.0028981400000000, 0.0001285400000000, -0.0040840000000000 ] - [ 0.0001688700000000, 0.0000485500000000, -0.0005882100000000 ] - [ -0.0487215700000000, 0.0434651100000000, 0.0270546600000000 ] - [ 0.0001876600000000, 0.0029987400000000, 0.0009818800000000 ] - [ -0.0517855900000000, -0.0893334600000000, 0.1197492300000000 ] - [ -0.0011203000000000, -0.0011590500000000, -0.0006175800000000 ] - [ 0.0000331700000000, -0.0013163900000000, -0.0027193200000000 ] - [ 0.0000260500000000, 0.0004543100000000, -0.0020043100000000 ]- atom: 33 displacement: [ 0.0053126970990986, 0.0000000000000000, -0.0084720274747683 ] forces: - [ -0.0139906500000000, 0.0057565100000000, -0.0208547000000000 ] - [ -0.0006458600000000, -0.0009141700000000, -0.0006953200000000 ] - [ -0.0004227000000000, -0.0005825900000000, -0.0033010100000000 ] - [ -0.0004408400000000, -0.0002044800000000, -0.0007241000000000 ] - [ -0.0001268600000000, 0.0019902700000000, 0.0126812500000000 ] - [ -0.0016175000000000, -0.0006384800000000, 0.0006828100000000 ] - [ 0.0218148200000000, 0.0004524100000000, -0.0079977900000000 ] - [ 0.0006561800000000, -0.0001612000000000, 0.0001925400000000 ] - [ -0.0029964900000000, -0.0001809100000000, 0.0002085500000000 ] - [ -0.0011970500000000, 0.0004458600000000, 0.0003011500000000 ] - [ -0.0000801300000000, -0.0011395100000000, 0.0022919900000000 ] - [ 0.0004721700000000, 0.0023835500000000, 0.0009573000000000 ] - [ 0.0021207200000000, 0.0000723800000000, -0.0034484900000000 ] - [ 0.0010033600000000, 0.0003825600000000, -0.0016643600000000 ] - [ 0.0016155100000000, 0.0001539200000000, -0.0012406300000000 ] - [ -0.0003474600000000, 0.0000264100000000, -0.0005500900000000 ] - [ 0.0018202300000000, 0.0011381800000000, -0.0022359200000000 ] - [ 0.0007679900000000, -0.0007364100000000, -0.0006088600000000 ] - [ -0.0000989800000000, -0.0142496100000000, -0.0110918500000000 ] - [ -0.0013032300000000, 0.0012552700000000, 0.0009155700000000 ] - [ 0.0036143800000000, 0.0006741600000000, -0.0021696200000000 ] - [ 0.0016056100000000, -0.0012679800000000, -0.0011698000000000 ] - [ -0.0006168100000000, -0.0004753900000000, 0.0026849400000000 ] - [ 0.0020189600000000, -0.0006370200000000, 0.0016610500000000 ] - [ 0.0029456300000000, 0.0026237900000000, -0.0078518900000000 ] - [ 0.0007355100000000, -0.0008948900000000, -0.0019751400000000 ] - [ 0.0205596900000000, -0.0068672200000000, -0.0062344000000000 ] - [ 0.0013076800000000, 0.0015253300000000, -0.0001048500000000 ] - [ -0.0155172100000000, 0.0166353100000000, -0.0009618300000000 ] - [ -0.0003498600000000, -0.0008912400000000, 0.0009310700000000 ] - [ 0.0012013300000000, 0.0154718900000000, 0.0182673800000000 ] - [ -0.0037292000000000, -0.0103904100000000, 0.0009583000000000 ] - [ -0.1791194600000000, -0.0377025200000000, 0.2796175600000000 ] - [ -0.0017620900000000, -0.0000221400000000, 0.0024862300000000 ] - [ 0.0031867200000000, -0.0044753800000000, 0.0000798500000000 ] - [ 0.0004875900000000, 0.0058430400000000, -0.0015988700000000 ] - [ -0.0011161300000000, 0.0003112400000000, 0.0023450000000000 ] - [ -0.0005790600000000, -0.0001331800000000, 0.0008464100000000 ] - [ -0.0008732700000000, -0.0012319800000000, -0.0034261000000000 ] - [ 0.0001586500000000, 0.0002922100000000, -0.0005883300000000 ] - [ 0.0007980600000000, -0.0005566800000000, -0.0000553900000000 ] - [ 0.0008805500000000, 0.0002430800000000, -0.0000064800000000 ] - [ 0.0006702800000000, 0.0004542200000000, 0.0018236200000000 ] - [ 0.0002108200000000, -0.0002950800000000, -0.0002766100000000 ] - [ 0.0045089400000000, -0.0019916400000000, -0.0078767800000000 ] - [ 0.0008306400000000, 0.0003205700000000, -0.0005139300000000 ] - [ -0.0002519000000000, -0.0069906700000000, -0.0080487900000000 ] - [ 0.0012250100000000, 0.0028383000000000, -0.0038959300000000 ] - [ -0.0186621400000000, -0.0367839600000000, -0.1111916100000000 ] - [ 0.0002264700000000, -0.0003584500000000, -0.0008946200000000 ] - [ 0.0009465300000000, -0.0078482500000000, 0.0030565500000000 ] - [ 0.0017935800000000, 0.0020621600000000, 0.0014453000000000 ] - [ 0.0056549500000000, 0.0041201500000000, 0.0046162500000000 ] - [ 0.0007739800000000, -0.0012210900000000, 0.0007106200000000 ] - [ 0.0002602300000000, 0.0061240900000000, -0.0040365800000000 ] - [ 0.0027891900000000, -0.0018539900000000, -0.0010645200000000 ] - [ 0.0917352200000000, 0.0193901100000000, -0.0148144700000000 ] - [ 0.0007437100000000, -0.0000018500000000, -0.0004479600000000 ] - [ 0.0019615300000000, 0.0000970900000000, 0.0040593600000000 ] - [ 0.0003612400000000, -0.0002208300000000, 0.0003989200000000 ] - [ 0.0044866400000000, 0.0018326800000000, -0.0027836900000000 ] - [ 0.0011260900000000, -0.0005192700000000, -0.0004006000000000 ] - [ -0.0000598600000000, 0.0010462900000000, -0.0016740000000000 ] - [ -0.0018803900000000, -0.0042898100000000, -0.0009690200000000 ] - [ -0.0011345500000000, -0.0021064200000000, 0.0022367200000000 ] - [ -0.0007276100000000, 0.0019718300000000, 0.0010262400000000 ] - [ 0.0014317200000000, 0.0005589100000000, -0.0012802400000000 ] - [ 0.0005445900000000, 0.0001044900000000, -0.0001744900000000 ] - [ -0.0030350400000000, 0.0026955000000000, 0.0009690800000000 ] - [ -0.0007757600000000, -0.0013877000000000, 0.0005318200000000 ] - [ 0.0001524900000000, -0.0006896500000000, -0.0003227400000000 ] - [ -0.0000290900000000, -0.0010116800000000, -0.0010736700000000 ] - [ -0.0006666500000000, -0.0018521500000000, -0.0008696700000000 ] - [ 0.0002848700000000, 0.0004177600000000, -0.0001237000000000 ] - [ -0.0038274700000000, 0.0008115000000000, -0.0016140400000000 ] - [ 0.0001163700000000, -0.0001352500000000, -0.0002392600000000 ] - [ -0.0037270500000000, 0.0006191400000000, 0.0019954400000000 ] - [ -0.0003873900000000, 0.0001252100000000, 0.0005002000000000 ] - [ 0.0015576700000000, 0.0007395300000000, 0.0000253400000000 ] - [ 0.0001293100000000, -0.0001073700000000, -0.0005081800000000 ] - [ 0.0010043100000000, -0.0003404400000000, 0.0012710000000000 ] - [ 0.0000443400000000, 0.0003874600000000, 0.0001374500000000 ] - [ -0.0005597100000000, 0.0006493000000000, 0.0002742100000000 ] - [ -0.0002295900000000, -0.0001315500000000, 0.0002485000000000 ] - [ -0.0004574700000000, 0.0001146700000000, 0.0004516000000000 ] - [ -0.0001621400000000, 0.0008332200000000, 0.0002705400000000 ] - [ 0.0016857800000000, 0.0000608500000000, 0.0041475900000000 ] - [ 0.0001732100000000, 0.0001875500000000, -0.0003487800000000 ] - [ -0.0001981600000000, 0.0001036300000000, 0.0008250700000000 ] - [ -0.0002676200000000, -0.0000149500000000, 0.0009646600000000 ] - [ -0.0003405700000000, -0.0009746400000000, 0.0015135000000000 ] - [ -0.0000259400000000, -0.0006602000000000, 0.0002806100000000 ] - [ -0.0008371800000000, 0.0010575300000000, 0.0018152300000000 ] - [ -0.0006125900000000, -0.0004892700000000, 0.0006167700000000 ] - [ -0.0006479500000000, -0.0002611500000000, 0.0002283700000000 ] - [ 0.0001568800000000, -0.0001868600000000, 0.0000190100000000 ] - [ -0.0009849000000000, -0.0003700000000000, -0.0000881900000000 ] - [ -0.0011130900000000, -0.0002670700000000, 0.0001579600000000 ] - [ -0.0002938900000000, -0.0034023200000000, 0.0035227500000000 ] - [ -0.0001211900000000, 0.0019730000000000, 0.0006094700000000 ] - [ -0.0032996900000000, 0.0009253900000000, 0.0031543200000000 ] - [ -0.0009829600000000, -0.0001971100000000, 0.0011040600000000 ] - [ -0.0023167500000000, -0.0007808500000000, -0.0014144200000000 ] - [ -0.0003041700000000, 0.0001591000000000, -0.0005244900000000 ] - [ 0.0011779800000000, 0.0004484800000000, -0.0006978500000000 ] - [ -0.0000507200000000, 0.0008077400000000, -0.0002179700000000 ] - [ -0.0017704600000000, 0.0003183600000000, 0.0025096800000000 ] - [ -0.0002517300000000, -0.0007671600000000, 0.0008199700000000 ] - [ -0.0010574600000000, -0.0003044900000000, -0.0027644500000000 ] - [ -0.0000011600000000, 0.0001550400000000, -0.0005967100000000 ] - [ -0.0039207000000000, 0.0004132200000000, 0.0073943800000000 ] - [ -0.0002397400000000, -0.0004262900000000, 0.0003934900000000 ] - [ -0.0033468000000000, -0.0010437300000000, 0.0050268000000000 ] - [ -0.0003843700000000, -0.0001833500000000, 0.0008679800000000 ] - [ -0.0032341100000000, -0.0017501000000000, -0.0008507400000000 ] - [ -0.0022658900000000, 0.0020293500000000, -0.0000217200000000 ] - [ 0.0024110100000000, 0.0050493900000000, -0.0030988600000000 ] - [ -0.0005138000000000, 0.0006849900000000, -0.0043196700000000 ] - [ -0.0026329000000000, 0.0025088800000000, 0.0046997100000000 ] - [ -0.0013227500000000, -0.0004135000000000, 0.0008486700000000 ] - [ -0.0034883800000000, 0.0003074300000000, 0.0043607100000000 ] - [ -0.0007939600000000, 0.0003712900000000, 0.0008405500000000 ] - [ 0.0485562800000000, -0.0425557500000000, -0.0275416800000000 ] - [ 0.0001956100000000, -0.0031029500000000, -0.0010806600000000 ] - [ 0.0502648800000000, 0.0855237000000000, -0.1156845200000000 ] - [ 0.0009662100000000, 0.0025742200000000, 0.0004253300000000 ] - [ 0.0000869400000000, 0.0013718400000000, 0.0021326000000000 ] - [ 0.0001093600000000, -0.0003802900000000, 0.0014646300000000 ]- atom: 49 displacement: [ 0.0099999699248486, 0.0000000000000000, 0.0000245255402261 ] forces: - [ -0.0001717600000000, 0.0006537200000000, -0.0011207000000000 ] - [ 0.0007126500000000, 0.0000454100000000, 0.0002520600000000 ] - [ -0.0014258800000000, -0.0008455800000000, -0.0003299100000000 ] - [ -0.0005731500000000, -0.0003328100000000, 0.0000140700000000 ] - [ -0.0030010400000000, -0.0025412700000000, -0.0054204500000000 ] - [ -0.0001451700000000, 0.0000467500000000, -0.0008398400000000 ] - [ -0.0066865100000000, -0.0008154200000000, 0.0017406100000000 ] - [ 0.0003138500000000, 0.0007246000000000, 0.0000771100000000 ] - [ -0.0027140500000000, -0.0000473100000000, -0.0019260600000000 ] - [ -0.0011966900000000, 0.0003633700000000, -0.0007776300000000 ] - [ -0.0016353300000000, 0.0010071800000000, -0.0014005100000000 ] - [ -0.0007301700000000, 0.0001141500000000, -0.0005416700000000 ] - [ -0.0015764900000000, 0.0009824400000000, -0.0001385300000000 ] - [ -0.0005590700000000, 0.0003972600000000, -0.0001447800000000 ] - [ -0.0030985500000000, -0.0004132800000000, -0.0009855900000000 ] - [ -0.0011952700000000, 0.0000421000000000, -0.0004020400000000 ] - [ 0.0015598900000000, 0.0011025800000000, -0.0012397900000000 ] - [ 0.0007734000000000, -0.0002637900000000, 0.0001039500000000 ] - [ 0.0107464900000000, -0.0007301100000000, 0.0021024600000000 ] - [ 0.0016432600000000, 0.0003927000000000, -0.0001288000000000 ] - [ 0.0006910500000000, -0.0010912100000000, 0.0012062400000000 ] - [ 0.0000775100000000, -0.0001490200000000, 0.0002435200000000 ] - [ -0.0016791700000000, -0.0024339300000000, 0.0009328100000000 ] - [ -0.0008953800000000, 0.0018128200000000, 0.0005156100000000 ] - [ 0.0014375300000000, -0.0029234800000000, 0.0022578200000000 ] - [ 0.0000594100000000, 0.0008656200000000, 0.0009243800000000 ] - [ -0.0001263500000000, 0.0010071800000000, 0.0036899900000000 ] - [ 0.0003168900000000, 0.0005262600000000, 0.0007348100000000 ] - [ 0.0210251000000000, -0.0121628700000000, 0.0031283300000000 ] - [ 0.0009397100000000, -0.0002432500000000, -0.0005389300000000 ] - [ 0.0057433200000000, -0.0016301100000000, 0.0018703300000000 ] - [ 0.0012968500000000, 0.0010965800000000, 0.0010881400000000 ] - [ 0.0418535900000000, 0.0174361900000000, 0.0483585000000000 ] - [ 0.0008636200000000, 0.0005086100000000, 0.0007951000000000 ] - [ -0.0043775200000000, 0.0017545900000000, -0.0010254900000000 ] - [ 0.0005964100000000, -0.0022414300000000, -0.0000725400000000 ] - [ -0.0031195200000000, 0.0006931700000000, -0.0006556900000000 ] - [ -0.0004565600000000, -0.0001110100000000, -0.0001092800000000 ] - [ -0.0010898300000000, -0.0021455600000000, -0.0032195300000000 ] - [ -0.0003376200000000, 0.0004311500000000, -0.0009374900000000 ] - [ -0.0009404100000000, -0.0001200000000000, 0.0002461500000000 ] - [ -0.0007656200000000, 0.0000998200000000, 0.0002610100000000 ] - [ -0.0037879400000000, -0.0003266900000000, -0.0001623000000000 ] - [ -0.0005002100000000, -0.0000313700000000, -0.0004719900000000 ] - [ -0.0004139300000000, 0.0024921000000000, 0.0042139000000000 ] - [ 0.0002257000000000, 0.0003165700000000, 0.0011100300000000 ] - [ 0.0005956200000000, -0.0008305300000000, -0.0002534800000000 ] - [ 0.0000772500000000, 0.0007014100000000, -0.0005966600000000 ] - [ -0.0750253200000000, 0.0064699000000000, -0.0779052700000000 ] - [ -0.0005521300000000, -0.0003584900000000, 0.0000418700000000 ] - [ -0.0002009400000000, -0.0010859900000000, 0.0000435200000000 ] - [ -0.0006199900000000, -0.0005254700000000, -0.0005007200000000 ] - [ -0.0005892500000000, 0.0004941200000000, 0.0010299100000000 ] - [ -0.0001156800000000, -0.0002566000000000, 0.0000876200000000 ] - [ 0.0036034100000000, -0.0116012500000000, 0.0017992100000000 ] - [ -0.0009981300000000, 0.0002842700000000, -0.0003656700000000 ] - [ 0.0104497000000000, 0.0062148200000000, 0.0119830500000000 ] - [ -0.0007345900000000, -0.0006747700000000, 0.0002353600000000 ] - [ 0.0010042400000000, -0.0000546500000000, 0.0000320000000000 ] - [ 0.0003195700000000, -0.0001915000000000, -0.0001002800000000 ] - [ 0.0009906800000000, -0.0008425700000000, 0.0014472300000000 ] - [ 0.0000773500000000, -0.0001924200000000, 0.0004208600000000 ] - [ 0.0009320100000000, -0.0006445000000000, 0.0006740500000000 ] - [ 0.0009397300000000, 0.0020698000000000, -0.0000786900000000 ] - [ 0.0000661800000000, 0.0021614800000000, -0.0004978500000000 ] - [ 0.0008962100000000, -0.0004892300000000, -0.0007217400000000 ] - [ 0.0012716800000000, 0.0000621900000000, 0.0008968200000000 ] - [ 0.0004274600000000, 0.0000001700000000, 0.0001787300000000 ] - [ 0.0013683500000000, -0.0008467700000000, 0.0001567000000000 ] - [ 0.0000040900000000, 0.0003632300000000, -0.0000665200000000 ] - [ 0.0003045700000000, -0.0003277200000000, 0.0004674100000000 ] - [ 0.0006514800000000, -0.0011084600000000, 0.0004998000000000 ] - [ 0.0011693700000000, 0.0006360600000000, 0.0014799900000000 ] - [ 0.0003324500000000, -0.0000593200000000, 0.0010044000000000 ] - [ 0.0025487700000000, -0.0001608600000000, 0.0006884300000000 ] - [ 0.0003431900000000, 0.0000382900000000, 0.0000451800000000 ] - [ 0.0022089600000000, 0.0002960000000000, 0.0000432100000000 ] - [ 0.0003968300000000, 0.0000752500000000, 0.0001287900000000 ] - [ 0.0018225200000000, 0.0007804300000000, 0.0010553900000000 ] - [ 0.0007374300000000, 0.0002060000000000, 0.0002321000000000 ] - [ 0.0027693500000000, -0.0006283100000000, 0.0041424100000000 ] - [ -0.0001482100000000, 0.0003091900000000, 0.0004533000000000 ] - [ 0.0009762000000000, -0.0000840900000000, 0.0002448800000000 ] - [ 0.0005420700000000, -0.0001404900000000, 0.0000435100000000 ] - [ 0.0003631200000000, 0.0006155300000000, 0.0004428100000000 ] - [ 0.0001767200000000, 0.0007337700000000, 0.0000867800000000 ] - [ 0.0013068700000000, 0.0031072200000000, 0.0137051700000000 ] - [ 0.0000213600000000, -0.0001107500000000, -0.0000920500000000 ] - [ 0.0003861700000000, -0.0002222100000000, 0.0005422200000000 ] - [ 0.0003741800000000, -0.0000290700000000, 0.0005521500000000 ] - [ 0.0005282800000000, -0.0009038600000000, 0.0022147400000000 ] - [ 0.0002114600000000, -0.0008360400000000, 0.0003610100000000 ] - [ -0.0008766200000000, 0.0013781700000000, 0.0003295000000000 ] - [ -0.0002586800000000, -0.0002705400000000, 0.0001719000000000 ] - [ 0.0021347000000000, -0.0003803600000000, 0.0000183600000000 ] - [ 0.0007551500000000, -0.0002953800000000, -0.0000618200000000 ] - [ 0.0003293000000000, 0.0000902100000000, -0.0001166300000000 ] - [ 0.0003088100000000, -0.0003788100000000, -0.0000806400000000 ] - [ -0.0054448000000000, -0.0005702500000000, 0.0011928400000000 ] - [ -0.0008075000000000, -0.0005401300000000, -0.0001877800000000 ] - [ -0.0006069700000000, -0.0002215600000000, -0.0003870100000000 ] - [ -0.0002984800000000, -0.0000555500000000, -0.0003384000000000 ] - [ 0.0010720400000000, 0.0004297300000000, -0.0017591000000000 ] - [ 0.0000762900000000, -0.0001696100000000, -0.0004970600000000 ] - [ 0.0025575600000000, 0.0014126100000000, 0.0009171600000000 ] - [ 0.0004462700000000, 0.0002827700000000, 0.0003315100000000 ] - [ -0.0005604600000000, -0.0009126600000000, -0.0012049600000000 ] - [ -0.0004356100000000, 0.0002364800000000, -0.0002082300000000 ] - [ 0.0026385500000000, -0.0013447200000000, -0.0012410100000000 ] - [ 0.0000141500000000, 0.0004566700000000, -0.0001208000000000 ] - [ 0.0043606200000000, 0.0002909500000000, -0.0048322700000000 ] - [ -0.0002446200000000, -0.0010472900000000, -0.0003509100000000 ] - [ -0.0008229900000000, 0.0001493100000000, -0.0015222700000000 ] - [ -0.0002408100000000, -0.0001278500000000, -0.0000285700000000 ] - [ -0.0006823400000000, 0.0006647300000000, -0.0009046900000000 ] - [ -0.0000276100000000, -0.0001149400000000, -0.0007430600000000 ] - [ -0.0004688900000000, 0.0060775000000000, 0.0013142900000000 ] - [ -0.0008665500000000, -0.0037320900000000, -0.0013736700000000 ] - [ -0.0000694300000000, 0.0005773000000000, -0.0009962100000000 ] - [ 0.0000133000000000, -0.0000232200000000, -0.0004455600000000 ] - [ 0.0006068900000000, -0.0004323200000000, -0.0002213800000000 ] - [ -0.0003178100000000, 0.0002310900000000, -0.0000132500000000 ] - [ -0.0061452800000000, -0.0068410600000000, -0.0063044800000000 ] - [ -0.0003928000000000, -0.0002857400000000, -0.0002328900000000 ] - [ -0.0057191600000000, -0.0005690600000000, 0.0013687600000000 ] - [ -0.0004496200000000, 0.0003351600000000, -0.0004751500000000 ] - [ 0.0001832200000000, 0.0003038100000000, -0.0002757600000000 ] - [ 0.0003525400000000, -0.0003300300000000, -0.0002798000000000 ]- atom: 49 displacement: [ -0.0099999699248486, 0.0000000000000000, -0.0000245255402261 ] forces: - [ 0.0013828200000000, -0.0006112100000000, 0.0015151600000000 ] - [ 0.0004758400000000, -0.0000180800000000, 0.0001169000000000 ] - [ 0.0013942800000000, -0.0002493400000000, 0.0007023500000000 ] - [ 0.0005430000000000, -0.0007658900000000, 0.0003593200000000 ] - [ 0.0030261300000000, 0.0014463600000000, 0.0050369800000000 ] - [ 0.0001809900000000, -0.0011413600000000, 0.0004742800000000 ] - [ 0.0078320700000000, 0.0007832300000000, -0.0013649800000000 ] - [ 0.0008703500000000, -0.0007489700000000, 0.0002952700000000 ] - [ 0.0015320700000000, 0.0000768600000000, 0.0015673400000000 ] - [ 0.0000117100000000, -0.0003329700000000, 0.0004073000000000 ] - [ 0.0015982600000000, 0.0000889800000000, 0.0017607300000000 ] - [ 0.0007008400000000, 0.0009747700000000, 0.0009038200000000 ] - [ 0.0016086700000000, 0.0001138800000000, -0.0002281700000000 ] - [ 0.0005933500000000, 0.0006975200000000, -0.0002227200000000 ] - [ 0.0019186200000000, 0.0003838900000000, 0.0006101100000000 ] - [ 0.0000114100000000, -0.0000805500000000, 0.0000311300000000 ] - [ -0.0003796000000000, -0.0010719400000000, 0.0016147900000000 ] - [ 0.0004083600000000, 0.0002875900000000, 0.0002571100000000 ] - [ -0.0108061200000000, -0.0003233000000000, -0.0016908600000000 ] - [ -0.0016778100000000, -0.0015001000000000, 0.0005011700000000 ] - [ -0.0006567400000000, 0.0000033000000000, -0.0015866600000000 ] - [ -0.0000473900000000, -0.0009480800000000, -0.0006165100000000 ] - [ 0.0028575900000000, 0.0024253300000000, -0.0005653000000000 ] - [ 0.0020846300000000, -0.0018544000000000, -0.0001464700000000 ] - [ -0.0026204300000000, 0.0029504200000000, -0.0026180200000000 ] - [ -0.0012333800000000, -0.0008361600000000, -0.0012915200000000 ] - [ 0.0000719800000000, 0.0000718200000000, -0.0033356900000000 ] - [ -0.0003514400000000, 0.0005610300000000, -0.0003666700000000 ] - [ -0.0213191800000000, 0.0139631700000000, -0.0038340100000000 ] - [ -0.0009123500000000, 0.0013291600000000, 0.0001827700000000 ] - [ -0.0069453800000000, 0.0015604100000000, -0.0022315900000000 ] - [ -0.0024712700000000, -0.0011020100000000, -0.0014710300000000 ] - [ -0.0423352700000000, -0.0174239600000000, -0.0466298500000000 ] - [ -0.0008588800000000, -0.0007404100000000, 0.0004079000000000 ] - [ 0.0043875700000000, -0.0019639700000000, -0.0001756200000000 ] - [ -0.0005907300000000, 0.0020043500000000, -0.0011338800000000 ] - [ 0.0031293500000000, -0.0004762100000000, 0.0018644100000000 ] - [ 0.0004499500000000, 0.0003359700000000, 0.0013140000000000 ] - [ 0.0010745400000000, 0.0023716400000000, 0.0019879600000000 ] - [ 0.0003415300000000, -0.0002037300000000, -0.0002683600000000 ] - [ 0.0009408700000000, -0.0001028100000000, 0.0009557500000000 ] - [ 0.0007619500000000, -0.0003291000000000, 0.0009421500000000 ] - [ 0.0038152800000000, 0.0001011700000000, -0.0010500300000000 ] - [ 0.0004975400000000, -0.0001997200000000, -0.0007308000000000 ] - [ 0.0004137800000000, -0.0022480700000000, -0.0029939300000000 ] - [ -0.0002300100000000, -0.0000956000000000, 0.0000938900000000 ] - [ -0.0005906200000000, 0.0010621700000000, -0.0009446200000000 ] - [ -0.0000770900000000, -0.0004794300000000, -0.0006028000000000 ] - [ 0.0755323300000000, -0.0075091800000000, 0.0783430700000000 ] - [ 0.0004535700000000, 0.0003118000000000, 0.0005892800000000 ] - [ 0.0003879800000000, -0.0002629200000000, 0.0000990700000000 ] - [ 0.0007840100000000, -0.0008826900000000, 0.0007009200000000 ] - [ 0.0002333200000000, -0.0004204500000000, -0.0009130800000000 ] - [ -0.0001908600000000, 0.0002837500000000, 0.0000145500000000 ] - [ -0.0030346900000000, 0.0110842700000000, -0.0020437300000000 ] - [ 0.0015891000000000, -0.0007017800000000, 0.0001174300000000 ] - [ -0.0109238200000000, -0.0065533100000000, -0.0115807600000000 ] - [ 0.0001005100000000, 0.0002485600000000, 0.0000122800000000 ] - [ -0.0010023400000000, -0.0002630900000000, -0.0002296200000000 ] - [ -0.0003118700000000, -0.0001261700000000, -0.0000866300000000 ] - [ -0.0010108500000000, 0.0005224300000000, -0.0012570600000000 ] - [ -0.0000898200000000, -0.0001209000000000, -0.0002330900000000 ] - [ -0.0008220100000000, 0.0005933500000000, -0.0013018200000000 ] - [ -0.0008086000000000, -0.0021243600000000, -0.0005263900000000 ] - [ 0.0001012600000000, -0.0007586800000000, 0.0006938000000000 ] - [ -0.0007379400000000, 0.0018872800000000, 0.0009157100000000 ] - [ -0.0009700500000000, -0.0000439100000000, -0.0010019800000000 ] - [ -0.0000996500000000, 0.0000511300000000, -0.0002890400000000 ] - [ -0.0017227900000000, 0.0007558700000000, -0.0000463600000000 ] - [ -0.0003503100000000, -0.0004333100000000, 0.0001796900000000 ] - [ -0.0004808100000000, -0.0010473800000000, -0.0006368800000000 ] - [ -0.0008426300000000, -0.0002468500000000, -0.0006469700000000 ] - [ -0.0013135300000000, -0.0005483000000000, -0.0009356900000000 ] - [ -0.0004641200000000, 0.0001286800000000, -0.0004161600000000 ] - [ -0.0025343200000000, 0.0004783200000000, -0.0008692300000000 ] - [ -0.0003272200000000, 0.0002756500000000, -0.0002343400000000 ] - [ -0.0022127400000000, 0.0000274000000000, 0.0001367300000000 ] - [ -0.0004031000000000, 0.0002399400000000, 0.0000592800000000 ] - [ -0.0012596900000000, -0.0003647500000000, -0.0013067000000000 ] - [ -0.0001307400000000, 0.0002293400000000, -0.0004934200000000 ] - [ -0.0032959800000000, 0.0010306300000000, -0.0038895600000000 ] - [ -0.0004173900000000, 0.0001150700000000, -0.0001943300000000 ] - [ -0.0006367700000000, 0.0000211900000000, -0.0003550100000000 ] - [ -0.0002299800000000, 0.0001071200000000, -0.0001544000000000 ] - [ -0.0005462200000000, 0.0007388700000000, -0.0005932000000000 ] - [ -0.0003502900000000, 0.0006518600000000, -0.0002642100000000 ] - [ -0.0011281100000000, -0.0030349900000000, -0.0143442100000000 ] - [ 0.0000977000000000, 0.0001761700000000, -0.0005227300000000 ] - [ -0.0005189700000000, 0.0001570100000000, 0.0000477400000000 ] - [ -0.0005189200000000, -0.0000424900000000, 0.0000083600000000 ] - [ -0.0003469800000000, -0.0004566100000000, -0.0020495300000000 ] - [ -0.0000432000000000, -0.0005594700000000, -0.0001679700000000 ] - [ 0.0005600700000000, -0.0013338700000000, -0.0002013300000000 ] - [ -0.0000884600000000, 0.0003464800000000, -0.0000584200000000 ] - [ -0.0015313500000000, -0.0000541500000000, -0.0002730300000000 ] - [ -0.0001828700000000, -0.0001225400000000, -0.0001899000000000 ] - [ -0.0009033200000000, -0.0005108500000000, 0.0003690400000000 ] - [ -0.0008435100000000, -0.0000235200000000, 0.0003393500000000 ] - [ 0.0054861800000000, 0.0002437900000000, -0.0013895200000000 ] - [ 0.0008202600000000, 0.0002584500000000, 0.0000104800000000 ] - [ 0.0006031500000000, -0.0000938300000000, 0.0005703000000000 ] - [ 0.0002942500000000, -0.0002659200000000, 0.0005344900000000 ] - [ -0.0009623000000000, -0.0004926300000000, 0.0011673700000000 ] - [ 0.0000512800000000, 0.0001040300000000, -0.0000935600000000 ] - [ -0.0024124100000000, -0.0000277600000000, -0.0007310900000000 ] - [ -0.0002683300000000, 0.0010911600000000, -0.0001568300000000 ] - [ 0.0008576000000000, 0.0009304800000000, 0.0011067500000000 ] - [ 0.0007410400000000, -0.0002071500000000, 0.0000944200000000 ] - [ -0.0030020800000000, 0.0012871200000000, 0.0013617000000000 ] - [ -0.0003417200000000, -0.0005178100000000, 0.0002360100000000 ] - [ -0.0045104200000000, -0.0016286100000000, 0.0046433800000000 ] - [ 0.0000503900000000, -0.0003046100000000, 0.0001949700000000 ] - [ 0.0006782400000000, -0.0000692000000000, 0.0020667600000000 ] - [ 0.0000965500000000, 0.0002131100000000, 0.0005852700000000 ] - [ 0.0006979400000000, -0.0003516700000000, 0.0007202300000000 ] - [ 0.0000430800000000, 0.0004321100000000, 0.0005604400000000 ] - [ 0.0004867500000000, -0.0057729000000000, -0.0011447800000000 ] - [ 0.0008671200000000, 0.0040740200000000, 0.0015755300000000 ] - [ 0.0006882100000000, -0.0001439400000000, 0.0007340500000000 ] - [ 0.0005148200000000, 0.0004361800000000, 0.0001828200000000 ] - [ -0.0011162600000000, 0.0008363600000000, 0.0004785100000000 ] - [ -0.0002114100000000, 0.0001758300000000, 0.0002701800000000 ] - [ 0.0065330600000000, 0.0067334600000000, 0.0061562600000000 ] - [ 0.0007522000000000, 0.0002020400000000, 0.0001145400000000 ] - [ 0.0055192200000000, 0.0019610300000000, -0.0016175600000000 ] - [ 0.0002904000000000, 0.0010707200000000, 0.0002693500000000 ] - [ -0.0000637000000000, -0.0002478700000000, -0.0003475800000000 ] - [ -0.0002077700000000, 0.0004127100000000, -0.0002749800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023454800000000, 0.0021050600000000, 0.0016220200000000 ] - [ 0.0001864000000000, -0.0019342300000000, -0.0003409500000000 ] - [ 0.0003591500000000, 0.0004378600000000, -0.0000708700000000 ] - [ 0.0001279600000000, -0.0015374800000000, 0.0002634200000000 ] - [ -0.0011568300000000, 0.0000035400000000, -0.0017861000000000 ] - [ 0.0001827100000000, -0.0022968600000000, 0.0005438200000000 ] - [ -0.0016376000000000, 0.0029278500000000, 0.0016792100000000 ] - [ 0.0014103900000000, -0.0026680700000000, 0.0005901300000000 ] - [ -0.0009650500000000, 0.0018085500000000, -0.0002748900000000 ] - [ -0.0002479900000000, -0.0016688200000000, -0.0000192200000000 ] - [ 0.0004241900000000, 0.0024533900000000, 0.0008189000000000 ] - [ -0.0002195100000000, -0.0009891400000000, 0.0003557100000000 ] - [ 0.0009690100000000, 0.0016159600000000, -0.0003258300000000 ] - [ -0.0000929500000000, -0.0005374500000000, -0.0002622200000000 ] - [ -0.0006293700000000, 0.0012890400000000, -0.0001928400000000 ] - [ -0.0005948000000000, -0.0012006700000000, -0.0002458800000000 ] - [ 0.0010809100000000, 0.0015982900000000, 0.0036512800000000 ] - [ -0.0006233500000000, -0.0017909700000000, -0.0019749700000000 ] - [ -0.0004623200000000, 0.0129224200000000, 0.0022162300000000 ] - [ -0.0008322400000000, -0.0056057300000000, 0.0010601100000000 ] - [ -0.0002243800000000, 0.0015855400000000, -0.0010688800000000 ] - [ 0.0006526000000000, -0.0028439900000000, -0.0006146700000000 ] - [ -0.0056997100000000, 0.0010095700000000, 0.0009245900000000 ] - [ 0.0034592000000000, -0.0027162700000000, 0.0003736000000000 ] - [ -0.0040339100000000, 0.0010219200000000, 0.0008971400000000 ] - [ 0.0013368500000000, -0.0023247900000000, -0.0017956300000000 ] - [ 0.0057169600000000, 0.0042762900000000, -0.0041551900000000 ] - [ -0.0005343700000000, -0.0018284300000000, 0.0006255300000000 ] - [ -0.0120900500000000, 0.0325025900000000, -0.0006670900000000 ] - [ -0.0008012400000000, -0.0053976000000000, -0.0005482200000000 ] - [ -0.0031401800000000, -0.0111025900000000, 0.0132123400000000 ] - [ -0.0026360000000000, -0.0092596600000000, -0.0019509300000000 ] - [ 0.0184466900000000, 0.0509453900000000, 0.0550253400000000 ] - [ 0.0002311800000000, -0.0037255500000000, 0.0011236500000000 ] - [ 0.0095839800000000, 0.0001066800000000, 0.0003924000000000 ] - [ -0.0021268900000000, -0.0013750400000000, -0.0006663200000000 ] - [ 0.0037364000000000, -0.0003286500000000, 0.0006982900000000 ] - [ -0.0011759700000000, -0.0004720100000000, 0.0003124700000000 ] - [ -0.0014972800000000, 0.0023582300000000, -0.0015702300000000 ] - [ 0.0001737100000000, -0.0020222300000000, -0.0006787100000000 ] - [ -0.0006172200000000, 0.0001154900000000, 0.0001948900000000 ] - [ 0.0007335700000000, -0.0006322000000000, 0.0009008900000000 ] - [ 0.0017236000000000, 0.0040306100000000, -0.0003993800000000 ] - [ -0.0005117100000000, -0.0023533800000000, -0.0007001600000000 ] - [ 0.0013900200000000, 0.0039264900000000, 0.0001901600000000 ] - [ -0.0001994900000000, -0.0021045700000000, 0.0002186300000000 ] - [ -0.0013017300000000, 0.0006939000000000, -0.0029982900000000 ] - [ 0.0005696400000000, -0.0011109300000000, 0.0002477200000000 ] - [ 0.0074921800000000, -0.1235600800000000, -0.0801731900000000 ] - [ -0.0003843300000000, 0.0028344000000000, 0.0004150600000000 ] - [ -0.0006922400000000, -0.0005419200000000, -0.0019484500000000 ] - [ 0.0012506200000000, 0.0006347900000000, 0.0021304400000000 ] - [ -0.0001476300000000, -0.0014680900000000, 0.0004855700000000 ] - [ -0.0003338500000000, 0.0011762800000000, -0.0000767000000000 ] - [ -0.0144147200000000, 0.0140992400000000, -0.0040596000000000 ] - [ 0.0017118100000000, 0.0012218200000000, -0.0004884700000000 ] - [ 0.0059207500000000, -0.0026610300000000, 0.0043995900000000 ] - [ -0.0002781800000000, 0.0010023400000000, -0.0001411100000000 ] - [ -0.0004394500000000, -0.0011135600000000, -0.0003655500000000 ] - [ -0.0000002000000000, 0.0005831900000000, 0.0000238700000000 ] - [ -0.0001647300000000, -0.0014914300000000, 0.0002594000000000 ] - [ -0.0000125900000000, 0.0008437900000000, 0.0000114700000000 ] - [ -0.0020116200000000, 0.0004967700000000, -0.0019655500000000 ] - [ 0.0006968100000000, 0.0004696800000000, -0.0002224200000000 ] - [ 0.0009923300000000, 0.0005083900000000, 0.0002526900000000 ] - [ -0.0023174300000000, 0.0027537000000000, 0.0009416200000000 ] - [ -0.0006720800000000, -0.0011570700000000, 0.0001959600000000 ] - [ 0.0004506600000000, 0.0009373100000000, -0.0001336900000000 ] - [ -0.0020652200000000, -0.0020205800000000, -0.0000286600000000 ] - [ 0.0003583900000000, 0.0012932500000000, -0.0000444600000000 ] - [ 0.0006452200000000, -0.0010019100000000, 0.0004823700000000 ] - [ -0.0010004400000000, 0.0001781000000000, -0.0004291700000000 ] - [ -0.0006482300000000, 0.0007765800000000, -0.0001981700000000 ] - [ 0.0000431900000000, 0.0000490700000000, 0.0001520400000000 ] - [ 0.0010250400000000, -0.0010088200000000, -0.0001322000000000 ] - [ -0.0003019700000000, 0.0010841800000000, -0.0002591900000000 ] - [ 0.0001281600000000, -0.0008210600000000, 0.0000298900000000 ] - [ -0.0002208400000000, 0.0009222800000000, 0.0001328300000000 ] - [ 0.0008397000000000, -0.0003606300000000, -0.0000415300000000 ] - [ 0.0003653900000000, 0.0009306300000000, -0.0001355100000000 ] - [ -0.0048791400000000, 0.0006907400000000, -0.0068427900000000 ] - [ 0.0006332200000000, 0.0009023600000000, 0.0008335400000000 ] - [ 0.0001863000000000, -0.0008056400000000, -0.0000328100000000 ] - [ -0.0000318500000000, 0.0007601600000000, -0.0000872200000000 ] - [ -0.0004344900000000, 0.0005476900000000, -0.0008857700000000 ] - [ 0.0002905900000000, 0.0010463100000000, 0.0005113900000000 ] - [ 0.0031097800000000, -0.0084154200000000, 0.0027181200000000 ] - [ -0.0000882200000000, 0.0025140700000000, 0.0001311400000000 ] - [ -0.0000547400000000, 0.0000373000000000, 0.0003653800000000 ] - [ -0.0002561900000000, 0.0000410400000000, 0.0002034400000000 ] - [ 0.0000328800000000, -0.0026133100000000, 0.0009765200000000 ] - [ 0.0002182200000000, 0.0005718600000000, 0.0001247500000000 ] - [ 0.0010521900000000, -0.0007996300000000, 0.0023780000000000 ] - [ -0.0007279100000000, 0.0015475700000000, -0.0003377500000000 ] - [ -0.0002766700000000, -0.0009483600000000, -0.0001333000000000 ] - [ 0.0003102700000000, 0.0003415500000000, -0.0001539800000000 ] - [ 0.0006429900000000, -0.0005785100000000, -0.0000841700000000 ] - [ -0.0010658600000000, 0.0002820100000000, 0.0003096700000000 ] - [ 0.0029647000000000, 0.0041435900000000, -0.0064570000000000 ] - [ -0.0004108300000000, 0.0061772900000000, 0.0018056300000000 ] - [ -0.0004116300000000, 0.0002896900000000, 0.0001874100000000 ] - [ 0.0000322900000000, 0.0003367700000000, 0.0007492200000000 ] - [ -0.0004090400000000, -0.0028015500000000, 0.0000294800000000 ] - [ 0.0002056700000000, 0.0016549500000000, -0.0005252700000000 ] - [ 0.0007141500000000, -0.0016090500000000, 0.0000172300000000 ] - [ -0.0001621900000000, 0.0022680800000000, 0.0000718300000000 ] - [ -0.0032987300000000, -0.0010428500000000, 0.0024225000000000 ] - [ 0.0010570900000000, 0.0013904100000000, -0.0003461500000000 ] - [ -0.0047065600000000, -0.0009942400000000, 0.0017511600000000 ] - [ 0.0013335500000000, 0.0017901700000000, -0.0003981600000000 ] - [ 0.0000024700000000, -0.0038530600000000, -0.0003755700000000 ] - [ -0.0003279200000000, 0.0010587800000000, 0.0001182800000000 ] - [ -0.0001688500000000, -0.0024248200000000, 0.0010886200000000 ] - [ 0.0001167400000000, 0.0016047000000000, 0.0002292600000000 ] - [ 0.0023767500000000, 0.0005104200000000, -0.0015693000000000 ] - [ -0.0024801800000000, 0.0022631000000000, 0.0006990700000000 ] - [ 0.0085084400000000, 0.0122309200000000, 0.0006610900000000 ] - [ -0.0003817400000000, 0.0050532500000000, 0.0004459600000000 ] - [ 0.0005069900000000, -0.0002082600000000, 0.0012937500000000 ] - [ -0.0001592200000000, 0.0008358100000000, 0.0000385500000000 ] - [ -0.0005266100000000, -0.0006080300000000, -0.0000753200000000 ] - [ -0.0003436500000000, 0.0008623700000000, 0.0002876200000000 ] - [ -0.0084078100000000, 0.0198275100000000, 0.0238642500000000 ] - [ 0.0000579700000000, 0.0031288000000000, -0.0005989200000000 ] - [ -0.0014436200000000, -0.0062507500000000, -0.0091842100000000 ] - [ 0.0004605000000000, 0.0034001700000000, 0.0001890100000000 ] - [ 0.0003464900000000, 0.0001354200000000, 0.0002783400000000 ] - [ -0.0003096000000000, 0.0002116500000000, -0.0005926800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010955100000000, -0.0020900000000000, -0.0011682500000000 ] - [ 0.0010256000000000, 0.0019658900000000, 0.0007062500000000 ] - [ -0.0003877300000000, -0.0015317300000000, 0.0004537900000000 ] - [ -0.0001760200000000, 0.0004290600000000, 0.0001259200000000 ] - [ 0.0012385600000000, -0.0010846700000000, 0.0014587900000000 ] - [ -0.0001429000000000, 0.0011986900000000, -0.0009151000000000 ] - [ 0.0028933000000000, -0.0029423900000000, -0.0013289100000000 ] - [ -0.0002097500000000, 0.0026640300000000, -0.0002360700000000 ] - [ -0.0002272600000000, -0.0017979500000000, -0.0000830200000000 ] - [ -0.0009424800000000, 0.0016822300000000, -0.0003608800000000 ] - [ -0.0004573100000000, -0.0013702600000000, -0.0004503200000000 ] - [ 0.0001865100000000, 0.0021021200000000, 0.0000285600000000 ] - [ -0.0009215200000000, -0.0005234100000000, -0.0000564100000000 ] - [ 0.0001340700000000, 0.0016486400000000, -0.0001075000000000 ] - [ -0.0005572400000000, -0.0013063000000000, -0.0001664600000000 ] - [ -0.0005987300000000, 0.0011702400000000, -0.0001307500000000 ] - [ 0.0001017100000000, -0.0015807400000000, -0.0032589000000000 ] - [ 0.0018336700000000, 0.0018152100000000, 0.0023558400000000 ] - [ 0.0004991100000000, -0.0149491900000000, -0.0027602900000000 ] - [ 0.0007857500000000, 0.0044977900000000, -0.0006797100000000 ] - [ 0.0002484400000000, -0.0027100700000000, 0.0007075700000000 ] - [ -0.0006193300000000, 0.0017423700000000, 0.0002434100000000 ] - [ 0.0069261000000000, -0.0010588100000000, -0.0005670000000000 ] - [ -0.0022606000000000, 0.0026948900000000, -0.0000107700000000 ] - [ 0.0028150100000000, -0.0009819200000000, -0.0012814500000000 ] - [ -0.0025381800000000, 0.0023523700000000, 0.0014297400000000 ] - [ -0.0057784000000000, -0.0031400800000000, 0.0045453800000000 ] - [ 0.0004908800000000, 0.0029341300000000, -0.0002402600000000 ] - [ 0.0110649500000000, -0.0301532400000000, -0.0003967400000000 ] - [ 0.0008332900000000, 0.0065238200000000, 0.0001847000000000 ] - [ 0.0019382900000000, 0.0110370200000000, -0.0137026300000000 ] - [ 0.0014413200000000, 0.0092457600000000, 0.0015616600000000 ] - [ -0.0181261600000000, -0.0514907300000000, -0.0529552400000000 ] - [ -0.0002290200000000, 0.0035070400000000, 0.0000712700000000 ] - [ -0.0096229800000000, -0.0003675300000000, -0.0016061400000000 ] - [ 0.0021160300000000, 0.0011703700000000, -0.0005532800000000 ] - [ -0.0036898200000000, 0.0005466200000000, 0.0005151300000000 ] - [ 0.0011899700000000, 0.0006958800000000, 0.0008959800000000 ] - [ 0.0015116900000000, -0.0021390700000000, 0.0003620100000000 ] - [ -0.0001683500000000, 0.0022522400000000, -0.0005232100000000 ] - [ 0.0006273600000000, -0.0003431400000000, 0.0010201300000000 ] - [ -0.0007299000000000, 0.0004121200000000, 0.0003106400000000 ] - [ -0.0017405300000000, -0.0042402800000000, -0.0008157000000000 ] - [ 0.0005095500000000, 0.0021352700000000, -0.0005084900000000 ] - [ -0.0014087300000000, -0.0037420900000000, 0.0010124600000000 ] - [ 0.0002006300000000, 0.0023363300000000, 0.0009858400000000 ] - [ 0.0012904600000000, -0.0004487900000000, 0.0017933600000000 ] - [ -0.0005819900000000, 0.0013250800000000, -0.0014504700000000 ] - [ -0.0068931000000000, 0.1235442100000000, 0.0814527700000000 ] - [ 0.0002735200000000, -0.0029351800000000, 0.0001748000000000 ] - [ 0.0008783300000000, -0.0007739700000000, 0.0021021900000000 ] - [ -0.0010707300000000, -0.0019865100000000, -0.0019721100000000 ] - [ -0.0001585900000000, 0.0014758100000000, -0.0003977600000000 ] - [ 0.0000368100000000, -0.0011569600000000, 0.0001780200000000 ] - [ 0.0151775200000000, -0.0147180900000000, 0.0038732500000000 ] - [ -0.0012041400000000, -0.0016213100000000, 0.0002379600000000 ] - [ -0.0065648100000000, 0.0021659300000000, -0.0041996000000000 ] - [ -0.0002900800000000, -0.0014277700000000, 0.0003932400000000 ] - [ 0.0004213700000000, 0.0007974400000000, 0.0001659900000000 ] - [ -0.0000016900000000, -0.0008990700000000, -0.0002027600000000 ] - [ 0.0001304000000000, 0.0011907000000000, -0.0000857300000000 ] - [ 0.0000125400000000, -0.0011594800000000, 0.0001724700000000 ] - [ 0.0021624300000000, -0.0005858200000000, 0.0014197800000000 ] - [ -0.0005593300000000, -0.0005987500000000, -0.0003063600000000 ] - [ -0.0008087100000000, 0.0008195400000000, -0.0000931800000000 ] - [ 0.0025026900000000, -0.0014063700000000, -0.0007710100000000 ] - [ 0.0009692200000000, 0.0011896500000000, -0.0003004500000000 ] - [ -0.0001577600000000, -0.0009128400000000, 0.0000259100000000 ] - [ 0.0017517900000000, 0.0019938100000000, 0.0001344700000000 ] - [ -0.0006497600000000, -0.0013188800000000, 0.0001535800000000 ] - [ -0.0008301500000000, -0.0003383700000000, -0.0006422300000000 ] - [ 0.0008150500000000, -0.0015359600000000, 0.0002647000000000 ] - [ 0.0005049300000000, -0.0006814600000000, 0.0007356600000000 ] - [ -0.0001848000000000, 0.0000543800000000, 0.0003904000000000 ] - [ -0.0010517600000000, 0.0013315100000000, -0.0000539000000000 ] - [ 0.0003069800000000, -0.0007795900000000, 0.0000730600000000 ] - [ -0.0001503700000000, 0.0011373800000000, 0.0001474600000000 ] - [ 0.0002181700000000, -0.0006155800000000, 0.0000499900000000 ] - [ -0.0002791000000000, 0.0007839700000000, -0.0002137000000000 ] - [ 0.0001639700000000, -0.0005221100000000, -0.0001286200000000 ] - [ 0.0042842300000000, -0.0002651600000000, 0.0070138100000000 ] - [ -0.0011601800000000, -0.0004915500000000, -0.0005802800000000 ] - [ 0.0001234400000000, 0.0007783900000000, -0.0000732300000000 ] - [ 0.0003469800000000, -0.0008023000000000, -0.0000232700000000 ] - [ 0.0002622300000000, 0.0008141000000000, 0.0007014000000000 ] - [ -0.0004709600000000, 0.0003043300000000, -0.0006774700000000 ] - [ -0.0029706800000000, 0.0085398400000000, -0.0032598800000000 ] - [ 0.0002170600000000, -0.0024183400000000, -0.0006857900000000 ] - [ -0.0000873100000000, -0.0001292400000000, 0.0001746600000000 ] - [ 0.0001189100000000, -0.0001313100000000, 0.0003470600000000 ] - [ 0.0001305500000000, 0.0012441500000000, -0.0008020600000000 ] - [ -0.0000452200000000, -0.0019299300000000, 0.0000360900000000 ] - [ -0.0013907900000000, 0.0008641600000000, -0.0023055200000000 ] - [ 0.0004286300000000, -0.0015118900000000, 0.0004389400000000 ] - [ 0.0008413600000000, 0.0005227000000000, -0.0001245700000000 ] - [ 0.0001829100000000, -0.0007404900000000, -0.0001060700000000 ] - [ -0.0011864700000000, 0.0001774800000000, 0.0003365300000000 ] - [ 0.0005189100000000, -0.0006991600000000, -0.0000544600000000 ] - [ -0.0029329600000000, -0.0044311300000000, 0.0062333300000000 ] - [ 0.0004224700000000, -0.0065266800000000, -0.0019841200000000 ] - [ 0.0004233900000000, -0.0005960200000000, -0.0000041500000000 ] - [ -0.0000221500000000, -0.0006521700000000, -0.0005695400000000 ] - [ 0.0005365000000000, 0.0027035200000000, -0.0006018900000000 ] - [ -0.0000592000000000, -0.0017678400000000, 0.0000191200000000 ] - [ -0.0005501800000000, 0.0029774900000000, 0.0001607200000000 ] - [ 0.0003474300000000, -0.0009370400000000, 0.0000619000000000 ] - [ 0.0036348800000000, 0.0010802200000000, -0.0025449300000000 ] - [ -0.0007436800000000, -0.0013582200000000, 0.0002319000000000 ] - [ 0.0043694500000000, 0.0009391900000000, -0.0016232000000000 ] - [ -0.0016277200000000, -0.0017998300000000, 0.0005042900000000 ] - [ -0.0002010300000000, 0.0025147600000000, 0.0002486700000000 ] - [ 0.0001580700000000, -0.0024146800000000, -0.0002878600000000 ] - [ 0.0000487500000000, 0.0025395400000000, -0.0005517000000000 ] - [ -0.0002461300000000, -0.0015047800000000, 0.0003326400000000 ] - [ -0.0023718500000000, -0.0001870200000000, 0.0013985700000000 ] - [ 0.0024831100000000, -0.0019471000000000, -0.0008751000000000 ] - [ -0.0086132200000000, -0.0120491000000000, -0.0004825000000000 ] - [ 0.0003913000000000, -0.0047259000000000, -0.0002554000000000 ] - [ 0.0000111100000000, 0.0006120400000000, -0.0015423700000000 ] - [ 0.0006800000000000, -0.0004311700000000, -0.0002995600000000 ] - [ 0.0000113800000000, 0.0010275700000000, 0.0003281400000000 ] - [ -0.0001933600000000, -0.0004446500000000, -0.0000255000000000 ] - [ 0.0086033300000000, -0.0197075900000000, -0.0236317200000000 ] - [ 0.0002673900000000, -0.0031888700000000, 0.0004915700000000 ] - [ 0.0012422700000000, 0.0077143500000000, 0.0088029500000000 ] - [ -0.0006200800000000, -0.0020343500000000, -0.0003787700000000 ] - [ -0.0002030200000000, -0.0000386000000000, -0.0008049500000000 ] - [ 0.0004475600000000, -0.0000948300000000, 0.0000608000000000 ]- atom: 49 displacement: [ -0.0053126970990986, 0.0000000000000000, 0.0084720274747683 ] forces: - [ -0.0033231000000000, 0.0005670300000000, -0.0060014000000000 ] - [ 0.0001979700000000, -0.0006418500000000, -0.0004153000000000 ] - [ 0.0000383000000000, -0.0006283200000000, -0.0006136800000000 ] - [ -0.0001461200000000, -0.0005947000000000, -0.0001294900000000 ] - [ -0.0018513300000000, -0.0009208000000000, -0.0005027200000000 ] - [ -0.0005691600000000, -0.0008206000000000, 0.0000884400000000 ] - [ 0.0022570800000000, 0.0009909600000000, 0.0032301900000000 ] - [ 0.0007760700000000, -0.0005487300000000, 0.0004633300000000 ] - [ -0.0022580700000000, 0.0003499500000000, 0.0003973000000000 ] - [ -0.0008690400000000, -0.0001341600000000, -0.0001367200000000 ] - [ -0.0011135700000000, 0.0008426400000000, 0.0001850500000000 ] - [ -0.0003604200000000, 0.0003712400000000, 0.0001665400000000 ] - [ 0.0009307400000000, 0.0006348900000000, -0.0009263500000000 ] - [ 0.0001744700000000, 0.0003059800000000, -0.0005206600000000 ] - [ -0.0009161400000000, 0.0002245700000000, -0.0012960700000000 ] - [ -0.0007147300000000, -0.0003151800000000, -0.0005183300000000 ] - [ 0.0007068800000000, 0.0017592300000000, -0.0016798900000000 ] - [ -0.0001769400000000, -0.0014295400000000, -0.0012125300000000 ] - [ -0.0043163400000000, 0.0005421600000000, 0.0140906400000000 ] - [ -0.0002083300000000, 0.0002771800000000, 0.0014339300000000 ] - [ 0.0020378000000000, 0.0000941900000000, -0.0028786100000000 ] - [ 0.0010247200000000, -0.0010072500000000, -0.0011099900000000 ] - [ 0.0010215700000000, 0.0012306900000000, 0.0011197300000000 ] - [ 0.0012146100000000, -0.0008288100000000, 0.0011032300000000 ] - [ 0.0018361600000000, 0.0030019000000000, -0.0030794100000000 ] - [ 0.0014352200000000, -0.0014732600000000, -0.0008842100000000 ] - [ 0.0067746900000000, -0.0000895500000000, -0.0044691800000000 ] - [ 0.0007088900000000, 0.0006579400000000, -0.0003150200000000 ] - [ -0.0060450000000000, 0.0034906300000000, 0.0121377300000000 ] - [ -0.0012685600000000, -0.0003174900000000, 0.0013085900000000 ] - [ -0.0013419200000000, 0.0119713900000000, 0.0016815700000000 ] - [ -0.0017609800000000, -0.0066039000000000, 0.0002911900000000 ] - [ 0.0209790500000000, 0.0384373100000000, 0.1135638700000000 ] - [ -0.0006167600000000, -0.0006012400000000, 0.0015741000000000 ] - [ 0.0020722900000000, -0.0008905600000000, 0.0001663500000000 ] - [ -0.0006712900000000, 0.0001370100000000, 0.0002802500000000 ] - [ -0.0010725700000000, 0.0003033900000000, 0.0007023100000000 ] - [ -0.0006979400000000, -0.0000551600000000, 0.0007775500000000 ] - [ -0.0014082500000000, -0.0012700900000000, -0.0049156100000000 ] - [ -0.0003624200000000, -0.0000384000000000, -0.0007021900000000 ] - [ 0.0001738700000000, -0.0001359800000000, -0.0000990900000000 ] - [ 0.0003301900000000, 0.0000281900000000, 0.0001688400000000 ] - [ 0.0017847400000000, -0.0000157800000000, 0.0001776300000000 ] - [ 0.0000752000000000, -0.0003661200000000, -0.0005391700000000 ] - [ 0.0035934500000000, -0.0011099800000000, -0.0039443000000000 ] - [ 0.0005753400000000, -0.0000775300000000, 0.0001727500000000 ] - [ 0.0002005800000000, -0.0007023900000000, -0.0028826500000000 ] - [ 0.0008359200000000, 0.0010116000000000, -0.0017983000000000 ] - [ -0.0269178600000000, -0.0728232600000000, -0.1738238500000000 ] - [ -0.0000271900000000, 0.0002200100000000, -0.0004687600000000 ] - [ 0.0004673300000000, -0.0028509300000000, 0.0010169600000000 ] - [ 0.0007200000000000, 0.0003189700000000, 0.0014274800000000 ] - [ 0.0006142600000000, 0.0009535900000000, 0.0012088300000000 ] - [ 0.0000647000000000, -0.0001901400000000, 0.0003039500000000 ] - [ -0.0000359800000000, 0.0037802400000000, -0.0055811400000000 ] - [ 0.0010769000000000, 0.0000172800000000, -0.0012313300000000 ] - [ 0.0039451800000000, -0.0005107400000000, -0.0038241600000000 ] - [ 0.0000827500000000, 0.0000520400000000, -0.0001591100000000 ] - [ 0.0006040400000000, -0.0000742200000000, 0.0014800500000000 ] - [ 0.0001347700000000, -0.0000420700000000, 0.0001182600000000 ] - [ 0.0019330300000000, -0.0003022700000000, -0.0000589900000000 ] - [ 0.0003623300000000, 0.0000094500000000, 0.0000537600000000 ] - [ -0.0002255600000000, 0.0002917900000000, -0.0010207100000000 ] - [ 0.0004551000000000, 0.0002713600000000, -0.0005321700000000 ] - [ -0.0001624000000000, -0.0001223300000000, -0.0005381600000000 ] - [ -0.0004702900000000, 0.0011622900000000, -0.0000297800000000 ] - [ 0.0006601700000000, 0.0000207000000000, -0.0000566800000000 ] - [ 0.0004519400000000, 0.0002303500000000, -0.0000938400000000 ] - [ -0.0009559700000000, -0.0000400800000000, -0.0002494800000000 ] - [ -0.0001140500000000, 0.0000708700000000, -0.0000774900000000 ] - [ 0.0001407400000000, -0.0009138300000000, -0.0003388300000000 ] - [ 0.0000001800000000, -0.0007047500000000, -0.0004190300000000 ] - [ 0.0002982300000000, 0.0001427400000000, 0.0003563200000000 ] - [ 0.0003534700000000, 0.0002083000000000, 0.0003104500000000 ] - [ 0.0006574000000000, -0.0000966400000000, -0.0004961700000000 ] - [ 0.0001049400000000, 0.0002759000000000, -0.0001888200000000 ] - [ -0.0004377500000000, 0.0000702800000000, 0.0004382800000000 ] - [ -0.0000870400000000, 0.0002712100000000, 0.0002520200000000 ] - [ 0.0029375600000000, 0.0009466900000000, 0.0010269900000000 ] - [ 0.0006278700000000, 0.0002979500000000, -0.0001068700000000 ] - [ 0.0001897700000000, -0.0003619500000000, -0.0000215000000000 ] - [ 0.0002665600000000, 0.0003886000000000, -0.0000171000000000 ] - [ 0.0001640900000000, 0.0000214000000000, 0.0002751000000000 ] - [ 0.0002015800000000, 0.0000270200000000, 0.0000849000000000 ] - [ 0.0000744600000000, 0.0003641300000000, 0.0003878900000000 ] - [ 0.0001238700000000, 0.0008579400000000, 0.0005326500000000 ] - [ 0.0111814900000000, 0.0009989100000000, 0.0157032100000000 ] - [ 0.0002792400000000, 0.0004633200000000, -0.0003990200000000 ] - [ -0.0000633100000000, -0.0000034300000000, 0.0005938000000000 ] - [ -0.0000679500000000, 0.0000577700000000, 0.0006543200000000 ] - [ 0.0000803100000000, -0.0015851900000000, 0.0027293000000000 ] - [ 0.0002205600000000, -0.0003960100000000, 0.0003614800000000 ] - [ -0.0004322500000000, 0.0012383400000000, 0.0025595400000000 ] - [ -0.0003702700000000, -0.0004055100000000, 0.0004483800000000 ] - [ -0.0002246700000000, -0.0002144800000000, 0.0000550600000000 ] - [ 0.0002001800000000, -0.0001282300000000, -0.0000389700000000 ] - [ -0.0006040600000000, -0.0003563000000000, 0.0004584800000000 ] - [ -0.0007559900000000, -0.0001706500000000, 0.0002560100000000 ] - [ 0.0009827800000000, -0.0039666200000000, 0.0016919700000000 ] - [ -0.0001934400000000, 0.0054588400000000, 0.0005397300000000 ] - [ -0.0015854300000000, 0.0001685900000000, 0.0017779200000000 ] - [ -0.0007140000000000, 0.0001175800000000, 0.0010435100000000 ] - [ -0.0017396900000000, -0.0005552500000000, 0.0000908500000000 ] - [ -0.0001208800000000, 0.0002699600000000, -0.0002905400000000 ] - [ -0.0002508700000000, 0.0003125700000000, -0.0007409500000000 ] - [ 0.0000388700000000, 0.0009289400000000, -0.0000573400000000 ] - [ -0.0023272000000000, 0.0006703600000000, 0.0020166000000000 ] - [ -0.0001274900000000, -0.0004942900000000, 0.0001519500000000 ] - [ -0.0008582700000000, 0.0007593400000000, -0.0014666100000000 ] - [ 0.0000411400000000, -0.0000493200000000, -0.0002398100000000 ] - [ -0.0065758400000000, -0.0018421700000000, 0.0032652800000000 ] - [ -0.0004317800000000, -0.0001906200000000, -0.0001245700000000 ] - [ -0.0011795000000000, -0.0007322600000000, 0.0028290000000000 ] - [ -0.0002358700000000, 0.0001798900000000, 0.0006162500000000 ] - [ -0.0014514600000000, -0.0008165600000000, 0.0002191500000000 ] - [ -0.0020745900000000, 0.0016471500000000, 0.0001788200000000 ] - [ 0.0023634400000000, -0.0006133600000000, -0.0051297500000000 ] - [ -0.0002472500000000, -0.0001405900000000, -0.0021916100000000 ] - [ -0.0008608100000000, 0.0003300300000000, 0.0019832200000000 ] - [ -0.0006860500000000, 0.0001429400000000, 0.0004349700000000 ] - [ -0.0025668800000000, 0.0005396800000000, 0.0018281900000000 ] - [ -0.0006421700000000, 0.0003618400000000, 0.0003908900000000 ] - [ -0.0028913100000000, 0.0240464100000000, 0.0124414300000000 ] - [ 0.0001186700000000, -0.0010442500000000, -0.0006209500000000 ] - [ 0.0064732500000000, -0.0050649500000000, 0.0213301300000000 ] - [ 0.0004172100000000, 0.0019311300000000, 0.0003287600000000 ] - [ 0.0000048300000000, 0.0003334000000000, 0.0003890600000000 ] - [ -0.0000886300000000, -0.0000375300000000, 0.0002827400000000 ]- atom: 49 displacement: [ 0.0053126970990986, 0.0000000000000000, -0.0084720274747683 ] forces: - [ 0.0044840400000000, -0.0005330800000000, 0.0063516900000000 ] - [ 0.0009828900000000, 0.0006839700000000, 0.0007866800000000 ] - [ -0.0000790500000000, -0.0004767100000000, 0.0009836700000000 ] - [ 0.0001167400000000, -0.0005079600000000, 0.0005055100000000 ] - [ 0.0018884300000000, -0.0001779400000000, 0.0001466000000000 ] - [ 0.0006052100000000, -0.0002798100000000, -0.0004614000000000 ] - [ -0.0010545800000000, -0.0010404800000000, -0.0028939800000000 ] - [ 0.0004093500000000, 0.0005086700000000, -0.0000909400000000 ] - [ 0.0010710800000000, -0.0003149300000000, -0.0007719100000000 ] - [ -0.0003165800000000, 0.0001806700000000, -0.0002345000000000 ] - [ 0.0010785900000000, 0.0002565800000000, 0.0001896300000000 ] - [ 0.0003367000000000, 0.0007374600000000, 0.0002035900000000 ] - [ -0.0009050900000000, 0.0004706800000000, 0.0005424500000000 ] - [ -0.0001404700000000, 0.0007984300000000, 0.0001502200000000 ] - [ -0.0002634100000000, -0.0002666600000000, 0.0009259700000000 ] - [ -0.0004731600000000, 0.0002724700000000, 0.0001450500000000 ] - [ 0.0004886100000000, -0.0017195400000000, 0.0020350500000000 ] - [ 0.0013760000000000, 0.0014809500000000, 0.0015920800000000 ] - [ 0.0042617200000000, -0.0022457800000000, -0.0141223200000000 ] - [ 0.0001845500000000, -0.0013637800000000, -0.0010629900000000 ] - [ -0.0019990800000000, -0.0012029100000000, 0.0025144600000000 ] - [ -0.0009928000000000, -0.0000933400000000, 0.0007335600000000 ] - [ 0.0001723800000000, -0.0012795700000000, -0.0007345500000000 ] - [ -0.0000395000000000, 0.0007951800000000, -0.0007260700000000 ] - [ -0.0030076000000000, -0.0029836400000000, 0.0027154100000000 ] - [ -0.0026364700000000, 0.0015310700000000, 0.0005110400000000 ] - [ -0.0067956500000000, 0.0011741200000000, 0.0048377100000000 ] - [ -0.0007389600000000, 0.0004525300000000, 0.0006918100000000 ] - [ 0.0061520800000000, -0.0025140700000000, -0.0125166000000000 ] - [ 0.0013122400000000, 0.0014270300000000, -0.0016876200000000 ] - [ 0.0001411300000000, -0.0119680600000000, -0.0020248700000000 ] - [ 0.0005758400000000, 0.0065712300000000, -0.0006602900000000 ] - [ -0.0188694500000000, -0.0372381900000000, -0.1096260900000000 ] - [ 0.0006220500000000, 0.0003917400000000, -0.0003698300000000 ] - [ -0.0020695700000000, 0.0006807000000000, -0.0013713400000000 ] - [ 0.0006756000000000, -0.0003481400000000, -0.0014926700000000 ] - [ 0.0010580400000000, -0.0000839600000000, 0.0005089500000000 ] - [ 0.0007098200000000, 0.0002708800000000, 0.0004245400000000 ] - [ 0.0013869300000000, 0.0014694600000000, 0.0036911400000000 ] - [ 0.0003606800000000, 0.0002622700000000, -0.0005093900000000 ] - [ -0.0001625300000000, -0.0000794200000000, 0.0013072300000000 ] - [ -0.0003266300000000, -0.0002445000000000, 0.0010304800000000 ] - [ -0.0017997800000000, -0.0002139700000000, -0.0013672500000000 ] - [ -0.0000862700000000, 0.0001575600000000, -0.0006613600000000 ] - [ -0.0036002700000000, 0.0013241100000000, 0.0051596500000000 ] - [ -0.0005662400000000, 0.0003007200000000, 0.0010302800000000 ] - [ -0.0002110800000000, 0.0009129100000000, 0.0016775400000000 ] - [ -0.0008475700000000, -0.0007846300000000, 0.0005854400000000 ] - [ 0.0246626200000000, 0.0717663400000000, 0.1717685100000000 ] - [ -0.0000936200000000, -0.0003186200000000, 0.0010166500000000 ] - [ -0.0002863000000000, 0.0014986800000000, -0.0008791600000000 ] - [ -0.0005727600000000, -0.0017180600000000, -0.0012263000000000 ] - [ -0.0009598800000000, -0.0008726600000000, -0.0011029900000000 ] - [ -0.0003651900000000, 0.0001951100000000, -0.0001994600000000 ] - [ 0.0005743300000000, -0.0041616800000000, 0.0053457900000000 ] - [ -0.0005403400000000, -0.0004280300000000, 0.0009654600000000 ] - [ -0.0045119200000000, 0.0000940100000000, 0.0040450300000000 ] - [ -0.0006246000000000, -0.0004567800000000, 0.0004025600000000 ] - [ -0.0005866000000000, -0.0002391800000000, -0.0016492800000000 ] - [ -0.0001257000000000, -0.0002836800000000, -0.0002951900000000 ] - [ -0.0019383000000000, -0.0000019000000000, 0.0002341300000000 ] - [ -0.0003621600000000, -0.0003388600000000, 0.0001259000000000 ] - [ 0.0003343900000000, -0.0003600300000000, 0.0004176400000000 ] - [ -0.0003158000000000, -0.0003605900000000, -0.0000208400000000 ] - [ 0.0003292800000000, 0.0014932300000000, 0.0007052200000000 ] - [ 0.0006217600000000, 0.0002135700000000, 0.0002226900000000 ] - [ -0.0003438100000000, 0.0000030400000000, -0.0000488900000000 ] - [ -0.0000991100000000, -0.0001657500000000, -0.0000138700000000 ] - [ 0.0006070400000000, -0.0000160300000000, 0.0003603600000000 ] - [ -0.0002099400000000, -0.0001182000000000, 0.0001913200000000 ] - [ -0.0002888200000000, -0.0004751300000000, 0.0001443700000000 ] - [ -0.0001683600000000, -0.0006491700000000, 0.0002822400000000 ] - [ -0.0004339800000000, -0.0000576500000000, 0.0001721200000000 ] - [ -0.0004615500000000, -0.0001442200000000, 0.0002881800000000 ] - [ -0.0006594500000000, 0.0004268900000000, 0.0003151500000000 ] - [ -0.0000913200000000, 0.0000346000000000, 0.0000066900000000 ] - [ 0.0004190200000000, 0.0002540900000000, -0.0002567000000000 ] - [ 0.0000756800000000, 0.0000458500000000, -0.0000696200000000 ] - [ -0.0024292200000000, -0.0005500100000000, -0.0012809100000000 ] - [ -0.0000693900000000, 0.0001180100000000, -0.0001582700000000 ] - [ -0.0006726900000000, 0.0007578600000000, 0.0003346500000000 ] - [ -0.0008612600000000, 0.0000380200000000, 0.0002656500000000 ] - [ 0.0001391700000000, -0.0000322800000000, -0.0003813200000000 ] - [ 0.0001481700000000, -0.0001000100000000, -0.0001921600000000 ] - [ -0.0002195700000000, 0.0010268500000000, -0.0005837200000000 ] - [ -0.0003063400000000, 0.0004800200000000, -0.0006643600000000 ] - [ -0.0111965100000000, -0.0008796600000000, -0.0163466900000000 ] - [ -0.0001491600000000, -0.0004029700000000, -0.0001695400000000 ] - [ -0.0000813800000000, -0.0000949800000000, -0.0000718300000000 ] - [ -0.0000396300000000, -0.0001131800000000, -0.0000336700000000 ] - [ 0.0000941700000000, 0.0002522900000000, -0.0025923800000000 ] - [ -0.0000643400000000, -0.0009812200000000, -0.0001922000000000 ] - [ 0.0001156500000000, -0.0012141400000000, -0.0024620800000000 ] - [ 0.0000385200000000, 0.0004491700000000, -0.0003437600000000 ] - [ 0.0008056400000000, -0.0001976100000000, -0.0003030400000000 ] - [ 0.0003273500000000, -0.0002854600000000, -0.0002115000000000 ] - [ 0.0000864000000000, -0.0000394100000000, -0.0002034900000000 ] - [ 0.0001667600000000, -0.0002539300000000, -0.0000125900000000 ] - [ -0.0010097100000000, 0.0036574000000000, -0.0018529600000000 ] - [ 0.0002127400000000, -0.0058314100000000, -0.0007218800000000 ] - [ 0.0015625200000000, -0.0004793000000000, -0.0015920900000000 ] - [ 0.0007052300000000, -0.0004464900000000, -0.0008679400000000 ] - [ 0.0018445700000000, 0.0004849000000000, -0.0006773700000000 ] - [ 0.0002513900000000, -0.0003591800000000, -0.0002457300000000 ] - [ 0.0004196600000000, 0.0010741800000000, 0.0009166000000000 ] - [ 0.0001306900000000, 0.0004021200000000, 0.0001965600000000 ] - [ 0.0026676400000000, -0.0006335900000000, -0.0021306800000000 ] - [ 0.0004186600000000, 0.0005100300000000, -0.0002619900000000 ] - [ 0.0005398500000000, -0.0008066300000000, 0.0015598900000000 ] - [ -0.0003530200000000, 0.0000258500000000, 0.0003427000000000 ] - [ 0.0064857500000000, 0.0005227000000000, -0.0034399000000000 ] - [ 0.0002580900000000, -0.0011665300000000, -0.0000173900000000 ] - [ 0.0010499200000000, 0.0008162100000000, -0.0022663900000000 ] - [ 0.0000966900000000, -0.0000971600000000, -0.0000772400000000 ] - [ 0.0014506700000000, 0.0011284200000000, -0.0004014300000000 ] - [ 0.0020858200000000, -0.0013208200000000, -0.0003607400000000 ] - [ -0.0023779000000000, 0.0009615800000000, 0.0053276400000000 ] - [ 0.0002461800000000, 0.0004350700000000, 0.0023507300000000 ] - [ 0.0014617100000000, 0.0001014000000000, -0.0022294800000000 ] - [ 0.0012036300000000, 0.0002581800000000, -0.0006980300000000 ] - [ 0.0020337900000000, -0.0001260500000000, -0.0015710000000000 ] - [ 0.0001160100000000, 0.0000386200000000, -0.0001310400000000 ] - [ 0.0032131700000000, -0.0237616700000000, -0.0124591600000000 ] - [ 0.0002015800000000, 0.0009975900000000, 0.0005076500000000 ] - [ -0.0065477500000000, 0.0063397200000000, -0.0211422000000000 ] - [ -0.0005805200000000, -0.0005734700000000, -0.0004893500000000 ] - [ 0.0000981700000000, -0.0002660000000000, -0.0010014600000000 ] - [ 0.0002289700000000, 0.0001274500000000, -0.0008022500000000 ]- atom: 51 displacement: [ 0.0099999699248486, 0.0000000000000000, 0.0000245255402261 ] forces: - [ 0.0112033000000000, 0.0002481100000000, 0.0029838000000000 ] - [ 0.0021527800000000, 0.0013941400000000, 0.0008649900000000 ] - [ -0.0000208200000000, -0.0012731800000000, -0.0008898000000000 ] - [ -0.0006051200000000, 0.0001900400000000, -0.0018310200000000 ] - [ -0.0004059300000000, -0.0025581300000000, 0.0011425200000000 ] - [ -0.0063318400000000, 0.0079524600000000, 0.0010965300000000 ] - [ 0.0014168600000000, -0.0004751900000000, 0.0011286000000000 ] - [ 0.0012281900000000, 0.0007557900000000, 0.0020767100000000 ] - [ -0.0031618800000000, -0.0002651200000000, -0.0029223300000000 ] - [ -0.0013783200000000, 0.0003701700000000, -0.0008273600000000 ] - [ -0.0041124000000000, -0.0009850400000000, 0.0013783500000000 ] - [ -0.0004156100000000, 0.0008869200000000, 0.0002605100000000 ] - [ 0.0011044100000000, -0.0000907400000000, -0.0002483200000000 ] - [ 0.0004117700000000, 0.0004834400000000, -0.0001441600000000 ] - [ -0.0014839600000000, -0.0003043200000000, -0.0003675200000000 ] - [ -0.0018841900000000, 0.0000724500000000, -0.0003562100000000 ] - [ 0.0000003700000000, -0.0000646400000000, -0.0000230900000000 ] - [ -0.0014141900000000, -0.0002400900000000, -0.0003849500000000 ] - [ 0.0012313900000000, 0.0004788200000000, -0.0004127200000000 ] - [ -0.0000787700000000, -0.0010866300000000, 0.0002460300000000 ] - [ -0.0026843700000000, 0.0012139000000000, 0.0004445600000000 ] - [ -0.0005425400000000, -0.0014689300000000, -0.0005025000000000 ] - [ -0.0029741400000000, 0.0008313300000000, -0.0019059000000000 ] - [ 0.0001755500000000, -0.0002440200000000, -0.0002674200000000 ] - [ -0.0001365000000000, 0.0000912600000000, 0.0000485700000000 ] - [ -0.0042285300000000, 0.0004659200000000, 0.0039324500000000 ] - [ 0.0001208400000000, 0.0012090900000000, 0.0002698000000000 ] - [ -0.0040668300000000, -0.0029946700000000, -0.0030773900000000 ] - [ -0.0003870100000000, 0.0009734600000000, -0.0005704600000000 ] - [ -0.0004710800000000, -0.0010149000000000, -0.0019555500000000 ] - [ 0.0198730600000000, -0.0057993100000000, 0.0148063100000000 ] - [ 0.0000256000000000, -0.0001996700000000, 0.0002430100000000 ] - [ 0.0015309200000000, 0.0007688600000000, 0.0005407400000000 ] - [ 0.0045403700000000, -0.0019754600000000, 0.0014159300000000 ] - [ 0.0017956800000000, -0.0012405900000000, 0.0050131600000000 ] - [ 0.0005669300000000, -0.0001600500000000, -0.0000724400000000 ] - [ -0.0008403400000000, -0.0003334900000000, 0.0002260700000000 ] - [ -0.0021146300000000, 0.0007775600000000, -0.0020202100000000 ] - [ -0.0016273800000000, 0.0003701000000000, -0.0011717100000000 ] - [ -0.0007562400000000, -0.0001018600000000, -0.0009902600000000 ] - [ -0.0016007200000000, -0.0000219300000000, 0.0000984800000000 ] - [ -0.0005981900000000, -0.0001909700000000, 0.0003467700000000 ] - [ -0.0007807100000000, 0.0002004700000000, -0.0013673600000000 ] - [ -0.0013462800000000, -0.0007271400000000, -0.0015125700000000 ] - [ -0.0000091300000000, 0.0015604600000000, 0.0020238900000000 ] - [ 0.0006524600000000, -0.0019132300000000, 0.0019626600000000 ] - [ 0.0019824000000000, -0.0009570100000000, -0.0005928100000000 ] - [ 0.0394036600000000, 0.0371698900000000, -0.0358689200000000 ] - [ -0.0003805500000000, -0.0008335200000000, 0.0005204000000000 ] - [ -0.0007660300000000, 0.0011261000000000, 0.0006225700000000 ] - [ -0.0660252900000000, -0.0414225400000000, 0.0094149500000000 ] - [ -0.0005840200000000, -0.0004287900000000, -0.0006329600000000 ] - [ -0.0002162800000000, 0.0047181200000000, -0.0002587500000000 ] - [ -0.0048010800000000, -0.0080068500000000, 0.0038883400000000 ] - [ -0.0035157400000000, 0.0002556100000000, -0.0012281000000000 ] - [ -0.0001491700000000, -0.0000465500000000, -0.0003608400000000 ] - [ -0.0015956900000000, -0.0003946400000000, -0.0003271100000000 ] - [ -0.0017232600000000, -0.0015655800000000, -0.0014504400000000 ] - [ 0.0002712000000000, 0.0002866800000000, 0.0019367100000000 ] - [ 0.0000901800000000, -0.0005987700000000, 0.0002775900000000 ] - [ 0.0038586400000000, 0.0042815500000000, 0.0007008900000000 ] - [ 0.0001712400000000, -0.0009616300000000, 0.0002758500000000 ] - [ 0.0045317300000000, -0.0001403900000000, -0.0052351100000000 ] - [ -0.0000791100000000, 0.0002185400000000, -0.0007991500000000 ] - [ -0.0002195900000000, 0.0007423900000000, -0.0002568400000000 ] - [ -0.0009211100000000, 0.0003149600000000, -0.0022734200000000 ] - [ 0.0006571800000000, 0.0006614900000000, 0.0004762000000000 ] - [ 0.0006612400000000, -0.0005200900000000, 0.0007492300000000 ] - [ -0.0004444800000000, 0.0008058000000000, -0.0011094900000000 ] - [ -0.0003710600000000, -0.0001237100000000, -0.0002580700000000 ] - [ 0.0010488300000000, -0.0007624200000000, 0.0016033000000000 ] - [ 0.0002024000000000, -0.0004820900000000, 0.0003627600000000 ] - [ 0.0002761600000000, 0.0003066600000000, 0.0004283000000000 ] - [ 0.0024341100000000, -0.0006092100000000, 0.0014677900000000 ] - [ 0.0006020800000000, 0.0008396100000000, -0.0009588100000000 ] - [ 0.0010857000000000, -0.0007602000000000, -0.0009988500000000 ] - [ -0.0003201800000000, 0.0003784200000000, 0.0001656300000000 ] - [ -0.0000814900000000, -0.0001010200000000, 0.0001640200000000 ] - [ 0.0018739700000000, 0.0004533900000000, 0.0004154600000000 ] - [ 0.0008481100000000, 0.0002784000000000, 0.0000537800000000 ] - [ 0.0003469900000000, 0.0001565100000000, 0.0003308300000000 ] - [ 0.0014140300000000, 0.0000728100000000, 0.0010796900000000 ] - [ 0.0011272100000000, -0.0000155600000000, -0.0002292700000000 ] - [ 0.0004543300000000, -0.0000855500000000, -0.0000198900000000 ] - [ 0.0002017100000000, 0.0007555000000000, 0.0001454600000000 ] - [ 0.0007749900000000, 0.0006346400000000, 0.0003164900000000 ] - [ 0.0005218000000000, -0.0003108800000000, 0.0001497200000000 ] - [ 0.0003444100000000, 0.0004225600000000, 0.0001568500000000 ] - [ 0.0003585000000000, -0.0000791100000000, 0.0005348400000000 ] - [ 0.0000567600000000, 0.0001006600000000, 0.0005268800000000 ] - [ 0.0005896400000000, -0.0007198100000000, 0.0003867800000000 ] - [ 0.0005996600000000, -0.0004918500000000, 0.0004155100000000 ] - [ 0.0008037400000000, -0.0003027500000000, 0.0000846000000000 ] - [ 0.0001451900000000, 0.0001484300000000, 0.0001369600000000 ] - [ 0.0009030100000000, -0.0002618900000000, 0.0002324700000000 ] - [ 0.0011640500000000, -0.0002996500000000, 0.0002737000000000 ] - [ 0.0013821300000000, -0.0002250300000000, 0.0004661400000000 ] - [ 0.0002743300000000, 0.0000099100000000, 0.0003986100000000 ] - [ 0.0000470800000000, -0.0001405600000000, 0.0000035200000000 ] - [ 0.0010787900000000, -0.0000357900000000, 0.0000974000000000 ] - [ 0.0001298500000000, -0.0001383000000000, -0.0000057500000000 ] - [ 0.0020845500000000, -0.0002964800000000, -0.0001979600000000 ] - [ 0.0004576400000000, -0.0007533100000000, 0.0001902500000000 ] - [ 0.0008252700000000, 0.0008696100000000, 0.0003067300000000 ] - [ 0.0008960700000000, 0.0003069100000000, 0.0010765300000000 ] - [ 0.0004998900000000, 0.0009663900000000, 0.0007189100000000 ] - [ 0.0001840400000000, -0.0008250600000000, -0.0006400800000000 ] - [ 0.0001681600000000, 0.0005439700000000, -0.0003748400000000 ] - [ 0.0000210400000000, -0.0001260400000000, 0.0002837200000000 ] - [ 0.0008351400000000, 0.0005684500000000, 0.0008377400000000 ] - [ -0.0003736100000000, -0.0010443900000000, -0.0007532300000000 ] - [ -0.0003774200000000, 0.0000472000000000, -0.0014342200000000 ] - [ -0.0000739700000000, -0.0008591100000000, -0.0000094000000000 ] - [ 0.0007450900000000, 0.0024434200000000, 0.0001639000000000 ] - [ 0.0049537500000000, -0.0003455100000000, 0.0015456800000000 ] - [ -0.0001182200000000, 0.0003191700000000, 0.0000810900000000 ] - [ 0.0029140800000000, 0.0013422700000000, 0.0060320000000000 ] - [ 0.0000947400000000, 0.0002392500000000, 0.0000555500000000 ] - [ -0.0006143700000000, 0.0000880000000000, -0.0002748100000000 ] - [ 0.0106092800000000, 0.0101981000000000, -0.0086948100000000 ] - [ -0.0024032900000000, -0.0018041800000000, -0.0019416600000000 ] - [ -0.0013484500000000, 0.0005814600000000, -0.0000830700000000 ] - [ 0.0001427300000000, -0.0006430100000000, -0.0000681300000000 ] - [ -0.0002850900000000, 0.0048671100000000, 0.0039369300000000 ] - [ -0.0048764400000000, -0.0061953400000000, 0.0009839300000000 ] - [ -0.0011663300000000, 0.0013888900000000, -0.0007829900000000 ] - [ -0.0003193000000000, 0.0005656700000000, 0.0000394800000000 ] - [ -0.0055707500000000, -0.0013258100000000, 0.0038779500000000 ]- atom: 51 displacement: [ -0.0099999699248486, 0.0000000000000000, -0.0000245255402261 ] forces: - [ -0.0100925500000000, -0.0002168300000000, -0.0026501600000000 ] - [ -0.0009966600000000, -0.0013931300000000, -0.0005128200000000 ] - [ -0.0000061100000000, 0.0001861400000000, 0.0012605300000000 ] - [ 0.0006131200000000, -0.0013007500000000, 0.0022281600000000 ] - [ 0.0004327400000000, 0.0014636000000000, -0.0015159000000000 ] - [ 0.0063430500000000, -0.0089609300000000, -0.0014623100000000 ] - [ -0.0002578700000000, 0.0004318400000000, -0.0007609600000000 ] - [ -0.0000680200000000, -0.0007852200000000, -0.0016964700000000 ] - [ 0.0020037500000000, 0.0002907200000000, 0.0025431700000000 ] - [ 0.0002204700000000, -0.0003285200000000, 0.0004568900000000 ] - [ 0.0040669400000000, 0.0020622900000000, -0.0010070500000000 ] - [ 0.0003909000000000, 0.0002023700000000, 0.0001018200000000 ] - [ -0.0010915000000000, 0.0012081000000000, -0.0000928500000000 ] - [ -0.0003925000000000, 0.0006013300000000, -0.0002174800000000 ] - [ 0.0003245200000000, 0.0002603000000000, 0.0000062000000000 ] - [ 0.0007146200000000, -0.0001040600000000, -0.0000072000000000 ] - [ 0.0011745900000000, 0.0000903800000000, 0.0003968000000000 ] - [ 0.0025846500000000, 0.0002884100000000, 0.0007600300000000 ] - [ -0.0012552200000000, -0.0015720300000000, 0.0007811400000000 ] - [ 0.0000559000000000, -0.0000005800000000, 0.0001257100000000 ] - [ 0.0027314500000000, -0.0023111300000000, -0.0008140600000000 ] - [ 0.0005695600000000, 0.0003823100000000, 0.0001314700000000 ] - [ 0.0041602000000000, -0.0008705100000000, 0.0022859100000000 ] - [ 0.0009945800000000, 0.0002077600000000, 0.0006426000000000 ] - [ -0.0010313600000000, -0.0000617100000000, -0.0004134300000000 ] - [ 0.0030641100000000, -0.0004225500000000, -0.0043073000000000 ] - [ -0.0001486800000000, -0.0001252600000000, 0.0000909200000000 ] - [ 0.0040541200000000, 0.0041059200000000, 0.0034479600000000 ] - [ 0.0004135500000000, 0.0001032500000000, 0.0002061700000000 ] - [ 0.0004991000000000, 0.0021090200000000, 0.0015930300000000 ] - [ -0.0212476700000000, 0.0059243300000000, -0.0159420500000000 ] - [ -0.0011940100000000, 0.0001702400000000, -0.0006191200000000 ] - [ -0.0015227100000000, -0.0010008300000000, 0.0006461800000000 ] - [ -0.0045461500000000, 0.0017524500000000, -0.0002254900000000 ] - [ -0.0018017400000000, 0.0010214300000000, -0.0062003500000000 ] - [ -0.0005568300000000, -0.0000655300000000, -0.0011381800000000 ] - [ 0.0008431900000000, 0.0005560400000000, 0.0009807500000000 ] - [ 0.0021132500000000, -0.0005446800000000, 0.0032077000000000 ] - [ 0.0016320300000000, -0.0001476200000000, -0.0000313300000000 ] - [ 0.0007606900000000, 0.0003296700000000, -0.0002177500000000 ] - [ 0.0016082200000000, -0.0001956700000000, 0.0011192600000000 ] - [ 0.0005998200000000, -0.0000329300000000, 0.0008578700000000 ] - [ 0.0007888100000000, -0.0004308700000000, 0.0001679100000000 ] - [ 0.0013564200000000, 0.0005016400000000, 0.0003130000000000 ] - [ -0.0000101000000000, -0.0013433100000000, -0.0008294800000000 ] - [ -0.0006626700000000, 0.0021461600000000, -0.0007612800000000 ] - [ -0.0019927900000000, 0.0011855400000000, -0.0006090600000000 ] - [ -0.0388731900000000, -0.0370600600000000, 0.0347921800000000 ] - [ 0.0002408500000000, 0.0007620400000000, 0.0000553300000000 ] - [ 0.0006465500000000, -0.0012036100000000, -0.0000397200000000 ] - [ 0.0660455600000000, 0.0400907800000000, -0.0085457400000000 ] - [ 0.0007454400000000, -0.0009796500000000, 0.0008576700000000 ] - [ -0.0001379100000000, -0.0046605000000000, 0.0003718300000000 ] - [ 0.0044290000000000, 0.0081126100000000, -0.0037912200000000 ] - [ 0.0041030800000000, -0.0006768300000000, 0.0009664600000000 ] - [ 0.0007689700000000, -0.0003801400000000, 0.0001087800000000 ] - [ 0.0010650800000000, -0.0000168300000000, 0.0005846300000000 ] - [ 0.0011437200000000, 0.0011463700000000, 0.0016969500000000 ] - [ -0.0002747700000000, -0.0006106500000000, -0.0021259800000000 ] - [ -0.0000844600000000, 0.0002819600000000, -0.0004636200000000 ] - [ -0.0038681000000000, -0.0045602100000000, -0.0005114300000000 ] - [ -0.0001897800000000, 0.0006381500000000, -0.0000895700000000 ] - [ -0.0043589900000000, 0.0000728600000000, 0.0045880000000000 ] - [ 0.0002036700000000, -0.0002685200000000, 0.0001756900000000 ] - [ 0.0003778700000000, 0.0006826500000000, 0.0004763400000000 ] - [ 0.0010925500000000, 0.0010577100000000, 0.0024531000000000 ] - [ -0.0003660700000000, -0.0006479300000000, -0.0005810500000000 ] - [ -0.0003196400000000, 0.0005993000000000, -0.0008550200000000 ] - [ 0.0001014000000000, -0.0008731200000000, 0.0012094600000000 ] - [ -0.0000010000000000, 0.0000150800000000, 0.0003739400000000 ] - [ -0.0012178300000000, -0.0006344800000000, -0.0017982700000000 ] - [ -0.0003992400000000, -0.0008573400000000, -0.0004913800000000 ] - [ -0.0004283900000000, -0.0002072800000000, 0.0000957300000000 ] - [ -0.0025349200000000, 0.0006588800000000, -0.0008441900000000 ] - [ -0.0005883700000000, -0.0005122400000000, 0.0007780500000000 ] - [ -0.0010693500000000, 0.0010776600000000, 0.0008101200000000 ] - [ 0.0003132900000000, -0.0000533100000000, 0.0000088000000000 ] - [ 0.0000755400000000, 0.0004285600000000, 0.0000062600000000 ] - [ -0.0012566600000000, -0.0000287800000000, -0.0006591400000000 ] - [ -0.0003144300000000, 0.0001359000000000, -0.0003224900000000 ] - [ -0.0008338800000000, 0.0002344700000000, -0.0000721700000000 ] - [ -0.0020074500000000, 0.0003580800000000, -0.0008225200000000 ] - [ -0.0008115900000000, -0.0000128800000000, 0.0001192200000000 ] - [ -0.0001314200000000, 0.0000422100000000, -0.0000932600000000 ] - [ -0.0003768600000000, 0.0006026400000000, -0.0003115000000000 ] - [ -0.0009621500000000, 0.0007139600000000, -0.0004643500000000 ] - [ -0.0004121500000000, 0.0003754200000000, -0.0007772600000000 ] - [ -0.0001993000000000, -0.0003457800000000, -0.0007138500000000 ] - [ -0.0005193100000000, -0.0000082300000000, -0.0000142400000000 ] - [ -0.0001930200000000, -0.0001744400000000, 0.0000416700000000 ] - [ -0.0004284500000000, -0.0006880300000000, -0.0001716300000000 ] - [ -0.0004191000000000, -0.0008702300000000, -0.0002623500000000 ] - [ -0.0011786800000000, 0.0004072200000000, 0.0000310300000000 ] - [ -0.0004562200000000, -0.0001084100000000, -0.0000275500000000 ] - [ -0.0003301700000000, -0.0001603000000000, -0.0004858400000000 ] - [ -0.0006280900000000, -0.0001108600000000, -0.0005296600000000 ] - [ -0.0019163100000000, -0.0001833800000000, -0.0002187700000000 ] - [ -0.0008130300000000, -0.0004122700000000, -0.0001492700000000 ] - [ -0.0000348200000000, -0.0001810000000000, -0.0001860000000000 ] - [ -0.0010650700000000, -0.0002897300000000, -0.0002738900000000 ] - [ -0.0001422600000000, -0.0001766600000000, 0.0001897300000000 ] - [ -0.0020963200000000, -0.0000361100000000, 0.0003843200000000 ] - [ -0.0003333900000000, 0.0006912400000000, -0.0007894500000000 ] - [ -0.0006928800000000, -0.0009478800000000, -0.0008799000000000 ] - [ -0.0007233000000000, 0.0010820500000000, -0.0008874800000000 ] - [ -0.0003235800000000, 0.0003953800000000, -0.0005483000000000 ] - [ 0.0001649800000000, 0.0008994400000000, 0.0005316200000000 ] - [ 0.0001238400000000, -0.0005314300000000, 0.0002629500000000 ] - [ -0.0003607700000000, 0.0000539900000000, -0.0001677700000000 ] - [ -0.0011565400000000, -0.0006235100000000, -0.0007293500000000 ] - [ 0.0002018400000000, -0.0003361700000000, 0.0005704000000000 ] - [ 0.0001863700000000, -0.0013863000000000, 0.0013028600000000 ] - [ -0.0000479600000000, 0.0009311000000000, 0.0006066400000000 ] - [ -0.0008999900000000, -0.0023568900000000, 0.0003687500000000 ] - [ -0.0049926600000000, 0.0006729000000000, -0.0017515300000000 ] - [ 0.0001299800000000, 0.0000103100000000, -0.0002588000000000 ] - [ -0.0029407600000000, -0.0010243000000000, -0.0058632400000000 ] - [ -0.0000971600000000, 0.0000848300000000, 0.0001240500000000 ] - [ 0.0012279500000000, 0.0003413900000000, 0.0000274300000000 ] - [ -0.0101964200000000, -0.0099472200000000, 0.0085521900000000 ] - [ 0.0018510300000000, 0.0022271300000000, 0.0022042400000000 ] - [ 0.0008574600000000, -0.0001876700000000, 0.0003421100000000 ] - [ 0.0001770600000000, 0.0005957900000000, -0.0000373100000000 ] - [ 0.0006436300000000, -0.0049599300000000, -0.0040744800000000 ] - [ 0.0047166600000000, 0.0075336300000000, -0.0011102300000000 ] - [ 0.0009958500000000, -0.0000036400000000, 0.0006044700000000 ] - [ 0.0004360700000000, -0.0005083400000000, -0.0006702800000000 ] - [ 0.0056996600000000, 0.0014227500000000, -0.0045310800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022978100000000, 0.0311850700000000, 0.0122987100000000 ] - [ -0.0007493800000000, -0.0099007300000000, -0.0014322700000000 ] - [ -0.0003601500000000, -0.0029538900000000, -0.0021464500000000 ] - [ 0.0023033500000000, -0.0002512400000000, 0.0060670200000000 ] - [ -0.0028994700000000, -0.0041217300000000, 0.0008891900000000 ] - [ 0.0102861400000000, -0.0012583100000000, -0.0033275300000000 ] - [ -0.0002989200000000, -0.0005755400000000, 0.0006852800000000 ] - [ 0.0014076700000000, -0.0000088500000000, -0.0000150200000000 ] - [ -0.0038242800000000, 0.0017106300000000, -0.0021738000000000 ] - [ 0.0011855900000000, -0.0017899900000000, 0.0004093500000000 ] - [ -0.0027232800000000, 0.0037449600000000, 0.0019302000000000 ] - [ 0.0006100600000000, -0.0016537800000000, -0.0002045600000000 ] - [ -0.0002521300000000, 0.0060526000000000, -0.0019645400000000 ] - [ -0.0002239000000000, -0.0020907200000000, 0.0006529100000000 ] - [ -0.0012991800000000, -0.0004106600000000, -0.0005449300000000 ] - [ 0.0000944600000000, 0.0001821500000000, 0.0004071600000000 ] - [ 0.0005931800000000, -0.0008684700000000, 0.0003303800000000 ] - [ -0.0000832300000000, 0.0008477000000000, 0.0001742900000000 ] - [ -0.0002121400000000, 0.0013307700000000, 0.0014674800000000 ] - [ -0.0003080700000000, -0.0022931200000000, 0.0000685500000000 ] - [ 0.0007939600000000, 0.0016461000000000, -0.0002319600000000 ] - [ -0.0003839800000000, -0.0024141800000000, -0.0005260700000000 ] - [ 0.0012300100000000, 0.0016173700000000, -0.0000115400000000 ] - [ 0.0008900700000000, -0.0014667000000000, 0.0001863400000000 ] - [ 0.0001247700000000, -0.0017698700000000, -0.0002496200000000 ] - [ -0.0057903000000000, 0.0024885300000000, 0.0028027900000000 ] - [ 0.0022413600000000, -0.0013204300000000, 0.0000776500000000 ] - [ -0.0048859900000000, 0.0003240600000000, -0.0034481000000000 ] - [ 0.0006686200000000, -0.0008086900000000, 0.0010195700000000 ] - [ -0.0007682300000000, 0.0019103300000000, -0.0019938800000000 ] - [ -0.0026956000000000, 0.0172257200000000, -0.0046237000000000 ] - [ -0.0010400000000000, -0.0037451400000000, -0.0006322500000000 ] - [ -0.0021490200000000, -0.0052295500000000, 0.0077105000000000 ] - [ -0.0000717400000000, -0.0043706200000000, -0.0026815700000000 ] - [ -0.0013263200000000, 0.0033727100000000, -0.0001737000000000 ] - [ -0.0001002300000000, -0.0021829700000000, -0.0003710500000000 ] - [ -0.0005239000000000, -0.0015726100000000, 0.0004209900000000 ] - [ 0.0007976300000000, 0.0021949600000000, 0.0008357600000000 ] - [ -0.0006536200000000, 0.0005914200000000, -0.0003350200000000 ] - [ 0.0002598800000000, -0.0004829200000000, -0.0006190500000000 ] - [ -0.0000488800000000, 0.0015593100000000, 0.0009218700000000 ] - [ 0.0000542000000000, -0.0013537700000000, 0.0006082800000000 ] - [ -0.0001794600000000, -0.0003262200000000, -0.0007337200000000 ] - [ 0.0002657700000000, -0.0002560800000000, -0.0008354900000000 ] - [ 0.0045771100000000, 0.0005690600000000, 0.0002041100000000 ] - [ -0.0012681700000000, -0.0023879300000000, 0.0013343100000000 ] - [ 0.0026549800000000, -0.0054507200000000, -0.0011793100000000 ] - [ 0.0345762900000000, 0.0990912900000000, -0.0794476300000000 ] - [ -0.0004765700000000, 0.0000659400000000, -0.0025447000000000 ] - [ 0.0001178400000000, 0.0012647400000000, 0.0016246000000000 ] - [ -0.0403209100000000, -0.1918643300000000, 0.0979193200000000 ] - [ 0.0003527100000000, 0.0034726000000000, 0.0001580700000000 ] - [ -0.0002374800000000, 0.0121650400000000, 0.0000935900000000 ] - [ -0.0066599100000000, 0.0209374500000000, -0.0111401200000000 ] - [ 0.0013503300000000, -0.0019131000000000, -0.0017139300000000 ] - [ 0.0001795700000000, 0.0007463400000000, -0.0002282600000000 ] - [ 0.0019542000000000, 0.0012651400000000, -0.0012750000000000 ] - [ -0.0016007200000000, 0.0010752100000000, 0.0022371500000000 ] - [ 0.0023299100000000, -0.0012979600000000, 0.0059154000000000 ] - [ -0.0007907100000000, 0.0022734900000000, -0.0019337200000000 ] - [ 0.0087626600000000, 0.0012835600000000, -0.0005894000000000 ] - [ -0.0021811100000000, 0.0019290800000000, 0.0005395500000000 ] - [ -0.0009062200000000, -0.0032395000000000, 0.0005011900000000 ] - [ 0.0004427300000000, 0.0017043400000000, -0.0006427700000000 ] - [ 0.0000470900000000, 0.0017759800000000, 0.0001052700000000 ] - [ 0.0004480700000000, -0.0008321800000000, -0.0008432300000000 ] - [ 0.0011576600000000, 0.0010906600000000, 0.0004512700000000 ] - [ -0.0017982800000000, -0.0004531100000000, -0.0005816700000000 ] - [ -0.0002732100000000, -0.0012982300000000, 0.0003720300000000 ] - [ 0.0001185300000000, 0.0011918800000000, -0.0001732400000000 ] - [ -0.0000024800000000, -0.0022763500000000, -0.0002122700000000 ] - [ -0.0002710900000000, 0.0005699500000000, 0.0000552700000000 ] - [ 0.0003236400000000, 0.0016617800000000, 0.0002000400000000 ] - [ -0.0007765700000000, -0.0022738500000000, 0.0003219800000000 ] - [ 0.0012942400000000, 0.0002929100000000, -0.0008125500000000 ] - [ -0.0014499300000000, 0.0008753000000000, 0.0006723400000000 ] - [ 0.0001879100000000, 0.0002096000000000, 0.0007941100000000 ] - [ -0.0000020900000000, 0.0007247700000000, -0.0007902000000000 ] - [ 0.0012963300000000, -0.0002905600000000, -0.0002604200000000 ] - [ -0.0001245400000000, 0.0006629700000000, -0.0000212000000000 ] - [ -0.0001938900000000, 0.0006259100000000, -0.0000483900000000 ] - [ -0.0002140900000000, -0.0003548100000000, 0.0001668400000000 ] - [ 0.0008954800000000, -0.0008516200000000, -0.0003256500000000 ] - [ -0.0002540300000000, 0.0007754900000000, -0.0000417200000000 ] - [ 0.0000010900000000, 0.0013589200000000, -0.0001438000000000 ] - [ -0.0001124500000000, -0.0000276900000000, -0.0001653400000000 ] - [ 0.0000167400000000, -0.0000955200000000, -0.0007462000000000 ] - [ 0.0001128600000000, 0.0004142700000000, -0.0000320400000000 ] - [ -0.0002921000000000, -0.0019493400000000, -0.0009253300000000 ] - [ -0.0001902700000000, 0.0012287100000000, 0.0005639400000000 ] - [ 0.0002567900000000, -0.0005863500000000, 0.0001367400000000 ] - [ 0.0000554900000000, -0.0005622000000000, -0.0001365000000000 ] - [ 0.0001108000000000, -0.0009550700000000, -0.0001320300000000 ] - [ -0.0002269900000000, 0.0007423300000000, 0.0000809600000000 ] - [ 0.0005188800000000, 0.0000759200000000, 0.0002897000000000 ] - [ -0.0002422200000000, -0.0001385100000000, -0.0007052100000000 ] - [ -0.0006388500000000, -0.0008394800000000, 0.0000620300000000 ] - [ -0.0001306000000000, 0.0003403300000000, 0.0002804500000000 ] - [ 0.0000080100000000, 0.0007217600000000, -0.0002815000000000 ] - [ 0.0015383700000000, -0.0013897100000000, -0.0003682600000000 ] - [ -0.0005321200000000, 0.0007821600000000, 0.0001677000000000 ] - [ 0.0019226200000000, -0.0015919800000000, 0.0004404000000000 ] - [ -0.0003000400000000, -0.0003469300000000, -0.0002897300000000 ] - [ 0.0005057400000000, 0.0008283000000000, 0.0000313900000000 ] - [ 0.0004687400000000, 0.0003559200000000, 0.0006378600000000 ] - [ -0.0002138200000000, 0.0012647000000000, -0.0000980000000000 ] - [ -0.0004871100000000, -0.0022342100000000, -0.0002464300000000 ] - [ 0.0006253700000000, 0.0014588400000000, -0.0002409200000000 ] - [ -0.0003647600000000, 0.0006322200000000, -0.0000436100000000 ] - [ 0.0002971400000000, -0.0009028700000000, 0.0005650200000000 ] - [ -0.0008095300000000, -0.0000680200000000, -0.0000140500000000 ] - [ 0.0002749000000000, -0.0000583300000000, -0.0004978600000000 ] - [ -0.0015078900000000, -0.0001079400000000, 0.0003326000000000 ] - [ 0.0011217900000000, 0.0021353600000000, 0.0005001700000000 ] - [ -0.0014778300000000, -0.0024385000000000, 0.0007509600000000 ] - [ -0.0003045800000000, 0.0014040600000000, 0.0000174000000000 ] - [ -0.0014401400000000, -0.0014087800000000, -0.0028564900000000 ] - [ 0.0000632000000000, 0.0012933300000000, -0.0000870700000000 ] - [ -0.0006916400000000, 0.0013743300000000, 0.0001679100000000 ] - [ 0.0157408700000000, 0.0043169400000000, -0.0064329700000000 ] - [ -0.0048508600000000, 0.0001429900000000, 0.0060060500000000 ] - [ 0.0003716000000000, 0.0016937600000000, -0.0006852900000000 ] - [ -0.0011396100000000, 0.0043075100000000, -0.0014584700000000 ] - [ 0.0043003900000000, 0.0016744000000000, 0.0068608000000000 ] - [ -0.0069822700000000, 0.0220244100000000, -0.0153321600000000 ] - [ 0.0006140300000000, 0.0032525000000000, 0.0013216700000000 ] - [ -0.0003213500000000, 0.0027623400000000, 0.0009564900000000 ] - [ -0.0011868200000000, -0.0069086900000000, -0.0078004500000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005799800000000, -0.0291036700000000, -0.0106879900000000 ] - [ 0.0019473300000000, 0.0099558600000000, 0.0018109700000000 ] - [ 0.0003251500000000, 0.0018473500000000, 0.0024951200000000 ] - [ -0.0023237500000000, -0.0008822300000000, -0.0057110400000000 ] - [ 0.0029101000000000, 0.0030225400000000, -0.0012489900000000 ] - [ -0.0102917300000000, 0.0001432800000000, 0.0029809200000000 ] - [ 0.0014824000000000, 0.0005644400000000, -0.0003159100000000 ] - [ -0.0002238700000000, -0.0000246600000000, 0.0003815300000000 ] - [ 0.0026057700000000, -0.0016737900000000, 0.0017929100000000 ] - [ -0.0023792800000000, 0.0018071300000000, -0.0007778100000000 ] - [ 0.0026802900000000, -0.0026258400000000, -0.0015396700000000 ] - [ -0.0006489400000000, 0.0027356200000000, 0.0005828900000000 ] - [ 0.0003008500000000, -0.0049071800000000, 0.0015799100000000 ] - [ 0.0002609300000000, 0.0031733400000000, -0.0010329000000000 ] - [ 0.0001130300000000, 0.0003875000000000, 0.0001717700000000 ] - [ -0.0012789500000000, -0.0002176600000000, -0.0007677700000000 ] - [ 0.0005862700000000, 0.0008939600000000, 0.0000397200000000 ] - [ 0.0012602800000000, -0.0008294400000000, 0.0001853100000000 ] - [ 0.0001869200000000, -0.0023982700000000, -0.0011111800000000 ] - [ 0.0002794500000000, 0.0011944200000000, 0.0003120800000000 ] - [ -0.0007790800000000, -0.0027173700000000, -0.0001347600000000 ] - [ 0.0004137800000000, 0.0013112900000000, 0.0001529700000000 ] - [ -0.0000812100000000, -0.0016426400000000, 0.0003596700000000 ] - [ 0.0002912300000000, 0.0014400900000000, 0.0001752900000000 ] - [ -0.0012991900000000, 0.0017928400000000, -0.0001174200000000 ] - [ 0.0045952900000000, -0.0024640100000000, -0.0031552800000000 ] - [ -0.0022580100000000, 0.0024147500000000, 0.0002979900000000 ] - [ 0.0048383000000000, 0.0007392600000000, 0.0038162700000000 ] - [ -0.0006381600000000, 0.0019058900000000, -0.0013932600000000 ] - [ 0.0007950700000000, -0.0008453000000000, 0.0016169900000000 ] - [ 0.0015142600000000, -0.0173919700000000, 0.0042299800000000 ] - [ -0.0001340900000000, 0.0037081000000000, 0.0002644800000000 ] - [ 0.0021582900000000, 0.0050323400000000, -0.0064845700000000 ] - [ 0.0000952400000000, 0.0041394900000000, 0.0039048700000000 ] - [ 0.0013537200000000, -0.0035785800000000, -0.0010386200000000 ] - [ 0.0001075400000000, 0.0019549300000000, -0.0008296500000000 ] - [ 0.0005213700000000, 0.0017855100000000, 0.0007793300000000 ] - [ -0.0008067700000000, -0.0019774200000000, 0.0003662000000000 ] - [ 0.0006400700000000, -0.0003644800000000, -0.0008729200000000 ] - [ -0.0002628500000000, 0.0007022800000000, -0.0005863800000000 ] - [ 0.0000400200000000, -0.0017716200000000, 0.0002851700000000 ] - [ -0.0000525000000000, 0.0011262300000000, 0.0005874700000000 ] - [ 0.0001671200000000, 0.0001132500000000, -0.0004725900000000 ] - [ -0.0002693600000000, 0.0000289300000000, -0.0003724000000000 ] - [ -0.0045501600000000, -0.0003412600000000, 0.0010060600000000 ] - [ 0.0012717200000000, 0.0025954600000000, -0.0001243800000000 ] - [ -0.0026341100000000, 0.0056425500000000, -0.0000336300000000 ] - [ -0.0362169900000000, -0.1015435800000000, 0.0825455900000000 ] - [ 0.0003113900000000, -0.0001823700000000, 0.0030314900000000 ] - [ -0.0002756600000000, -0.0013551700000000, -0.0011125900000000 ] - [ 0.0417314100000000, 0.1910295300000000, -0.1034010700000000 ] - [ -0.0001761400000000, -0.0048030600000000, -0.0000195700000000 ] - [ -0.0000864500000000, -0.0120231200000000, -0.0000033700000000 ] - [ 0.0064854700000000, -0.0212626200000000, 0.0114734500000000 ] - [ -0.0008221400000000, 0.0014870800000000, 0.0014970300000000 ] - [ 0.0003481500000000, -0.0011467200000000, -0.0000216900000000 ] - [ -0.0024589700000000, -0.0016700400000000, 0.0015077400000000 ] - [ 0.0010626600000000, -0.0014833700000000, -0.0020123500000000 ] - [ -0.0022803500000000, 0.0009374600000000, -0.0060130600000000 ] - [ 0.0008170100000000, -0.0026158000000000, 0.0017736900000000 ] - [ -0.0087026800000000, -0.0016213400000000, 0.0007477800000000 ] - [ 0.0021730200000000, -0.0022705300000000, -0.0003675600000000 ] - [ 0.0010268000000000, 0.0031528400000000, -0.0010327100000000 ] - [ -0.0002814200000000, -0.0017884100000000, 0.0001119700000000 ] - [ 0.0001338200000000, -0.0004322600000000, 0.0000493900000000 ] - [ -0.0002753000000000, 0.0021827100000000, 0.0010088800000000 ] - [ -0.0008556500000000, -0.0010794700000000, -0.0005545200000000 ] - [ 0.0021333700000000, 0.0005028700000000, 0.0004779300000000 ] - [ -0.0000763200000000, 0.0012341500000000, -0.0002635300000000 ] - [ -0.0004415600000000, -0.0012275200000000, 0.0002843000000000 ] - [ -0.0001688600000000, 0.0009326500000000, 0.0000666500000000 ] - [ 0.0000798300000000, -0.0018700600000000, -0.0001692400000000 ] - [ -0.0004909900000000, -0.0015487000000000, 0.0002828200000000 ] - [ 0.0006186000000000, 0.0023661300000000, 0.0002004100000000 ] - [ -0.0012668100000000, 0.0000422800000000, 0.0006273700000000 ] - [ 0.0014759400000000, -0.0005376400000000, -0.0008539400000000 ] - [ -0.0002185300000000, 0.0001272300000000, -0.0006123800000000 ] - [ -0.0000192400000000, -0.0003793700000000, 0.0009624600000000 ] - [ -0.0007421600000000, 0.0006976000000000, 0.0000144300000000 ] - [ 0.0006151900000000, -0.0002631500000000, -0.0002338900000000 ] - [ -0.0002849500000000, -0.0002316500000000, 0.0002994700000000 ] - [ -0.0003223400000000, 0.0007729100000000, 0.0000825200000000 ] - [ -0.0005712400000000, 0.0008129600000000, 0.0002166100000000 ] - [ 0.0005637600000000, -0.0007941100000000, -0.0000663500000000 ] - [ -0.0001821000000000, -0.0000297600000000, 0.0000027900000000 ] - [ -0.0000678400000000, 0.0013614900000000, 0.0000184700000000 ] - [ 0.0001439500000000, 0.0001862000000000, 0.0002296800000000 ] - [ 0.0000623400000000, -0.0003007800000000, -0.0004461300000000 ] - [ 0.0001264500000000, 0.0018477500000000, 0.0014299700000000 ] - [ 0.0000295400000000, -0.0013194700000000, -0.0000481600000000 ] - [ -0.0000736200000000, -0.0007595800000000, 0.0000214200000000 ] - [ 0.0001401300000000, -0.0007371600000000, 0.0002535000000000 ] - [ -0.0004373100000000, 0.0009973700000000, 0.0002423900000000 ] - [ -0.0000610300000000, -0.0007359500000000, 0.0000236200000000 ] - [ -0.0000061300000000, -0.0004780000000000, -0.0005275600000000 ] - [ 0.0007966500000000, -0.0002711300000000, 0.0004620700000000 ] - [ 0.0001228600000000, 0.0004307400000000, 0.0001831900000000 ] - [ -0.0003832200000000, -0.0007413000000000, -0.0000344000000000 ] - [ 0.0000121100000000, -0.0010573100000000, 0.0001053500000000 ] - [ -0.0015170500000000, 0.0010561200000000, 0.0001997100000000 ] - [ 0.0005079300000000, -0.0011130900000000, 0.0000119300000000 ] - [ -0.0019374700000000, 0.0012556800000000, -0.0002696800000000 ] - [ 0.0004607600000000, 0.0002384500000000, -0.0002167600000000 ] - [ -0.0003509100000000, -0.0009120900000000, -0.0005583400000000 ] - [ -0.0002736700000000, 0.0009586400000000, -0.0004932500000000 ] - [ 0.0003950100000000, 0.0000824800000000, 0.0002606100000000 ] - [ 0.0007750300000000, 0.0022329100000000, 0.0001431500000000 ] - [ -0.0003149300000000, -0.0014225500000000, 0.0001275200000000 ] - [ 0.0000543000000000, -0.0006537000000000, 0.0001536800000000 ] - [ -0.0006169900000000, 0.0008649800000000, -0.0004534500000000 ] - [ 0.0006154900000000, -0.0012420700000000, -0.0001057100000000 ] - [ -0.0004593700000000, -0.0012650000000000, 0.0003480400000000 ] - [ 0.0013351800000000, 0.0002049200000000, 0.0001579300000000 ] - [ -0.0012798700000000, -0.0020233200000000, 0.0000187600000000 ] - [ 0.0015563800000000, 0.0027818800000000, -0.0009235400000000 ] - [ 0.0003195000000000, -0.0010597000000000, -0.0001900800000000 ] - [ 0.0014527200000000, 0.0017700600000000, 0.0030934600000000 ] - [ -0.0000825100000000, -0.0009490000000000, 0.0002584100000000 ] - [ 0.0012061900000000, -0.0009672800000000, -0.0004101400000000 ] - [ -0.0153238800000000, -0.0038782900000000, 0.0062316300000000 ] - [ 0.0043127100000000, 0.0002302100000000, -0.0057272500000000 ] - [ -0.0009068200000000, -0.0012824300000000, 0.0009376000000000 ] - [ 0.0014357300000000, -0.0043024200000000, 0.0013359900000000 ] - [ -0.0040098400000000, -0.0016902900000000, -0.0070183800000000 ] - [ 0.0066229100000000, -0.0203658500000000, 0.0149687400000000 ] - [ -0.0008002300000000, -0.0019079300000000, -0.0014838800000000 ] - [ 0.0004739900000000, -0.0026514600000000, -0.0014596300000000 ] - [ 0.0013354900000000, 0.0070674600000000, 0.0072558500000000 ]- atom: 51 displacement: [ -0.0053126970990986, 0.0000000000000000, 0.0084720274747683 ] forces: - [ -0.0018274400000000, 0.0095348300000000, 0.0173890100000000 ] - [ 0.0006943200000000, 0.0019723500000000, 0.0017751300000000 ] - [ -0.0006086700000000, -0.0010353800000000, -0.0000902300000000 ] - [ -0.0044844200000000, 0.0051756200000000, -0.0025730000000000 ] - [ -0.0000394700000000, 0.0004537900000000, 0.0004581400000000 ] - [ 0.0034326900000000, -0.0067705400000000, 0.0034843200000000 ] - [ 0.0016932400000000, 0.0004023000000000, -0.0011275300000000 ] - [ 0.0026844100000000, -0.0009079700000000, -0.0023262400000000 ] - [ -0.0018229300000000, -0.0000499300000000, 0.0009425800000000 ] - [ -0.0014190300000000, 0.0003636300000000, -0.0000118900000000 ] - [ 0.0030509200000000, 0.0024053600000000, 0.0005006700000000 ] - [ 0.0001003600000000, 0.0004390400000000, 0.0002791400000000 ] - [ 0.0006777300000000, -0.0049549200000000, -0.0057903800000000 ] - [ 0.0002480200000000, 0.0012162000000000, -0.0007600000000000 ] - [ -0.0006065600000000, -0.0001050800000000, -0.0008302700000000 ] - [ -0.0000624600000000, 0.0002246200000000, -0.0013569200000000 ] - [ 0.0006795600000000, 0.0002897600000000, -0.0001003700000000 ] - [ 0.0010840800000000, -0.0002638900000000, -0.0006227500000000 ] - [ 0.0007729500000000, 0.0003785500000000, -0.0035697300000000 ] - [ 0.0004342400000000, -0.0008333200000000, -0.0004384100000000 ] - [ -0.0002032900000000, -0.0006557100000000, 0.0008934200000000 ] - [ 0.0003369900000000, 0.0001018500000000, 0.0001809700000000 ] - [ -0.0022956000000000, 0.0000929400000000, 0.0002521500000000 ] - [ 0.0001644300000000, 0.0002495800000000, 0.0002854700000000 ] - [ -0.0001580400000000, -0.0000053700000000, -0.0003258200000000 ] - [ 0.0055352600000000, -0.0009151800000000, -0.0043252500000000 ] - [ -0.0008848900000000, 0.0010034400000000, 0.0010381100000000 ] - [ 0.0006151300000000, 0.0006760100000000, 0.0069652100000000 ] - [ -0.0004814800000000, 0.0014292700000000, -0.0008071600000000 ] - [ -0.0003735200000000, -0.0009466600000000, -0.0022180000000000 ] - [ -0.0020442900000000, -0.0058154900000000, 0.0146891000000000 ] - [ -0.0006113900000000, 0.0002333000000000, 0.0003422400000000 ] - [ 0.0012046100000000, 0.0030709300000000, -0.0010841900000000 ] - [ 0.0000394700000000, -0.0049895200000000, 0.0003512700000000 ] - [ 0.0053866300000000, 0.0000271300000000, -0.0070407500000000 ] - [ 0.0004298000000000, 0.0000071700000000, -0.0009150700000000 ] - [ -0.0002717900000000, 0.0002849200000000, 0.0006615900000000 ] - [ -0.0008732700000000, -0.0007328500000000, 0.0015183200000000 ] - [ 0.0000837100000000, 0.0001669000000000, -0.0013347300000000 ] - [ -0.0000353600000000, 0.0000385200000000, -0.0010236500000000 ] - [ -0.0005356700000000, -0.0011215200000000, -0.0014252400000000 ] - [ -0.0000878800000000, 0.0000436900000000, 0.0002999300000000 ] - [ -0.0005832500000000, 0.0000871600000000, -0.0005762400000000 ] - [ -0.0012080500000000, -0.0005227600000000, -0.0003305500000000 ] - [ 0.0045483500000000, -0.0014133600000000, 0.0005247900000000 ] - [ 0.0007286300000000, 0.0018463600000000, -0.0003839900000000 ] - [ 0.0007016900000000, -0.0000666800000000, -0.0000054200000000 ] - [ -0.0501403300000000, -0.0925134300000000, 0.1201466300000000 ] - [ 0.0001007100000000, -0.0013092400000000, 0.0011592400000000 ] - [ -0.0002020700000000, 0.0010911800000000, 0.0011123300000000 ] - [ 0.0440290300000000, 0.1090238200000000, -0.1793798600000000 ] - [ -0.0001826500000000, -0.0007657900000000, -0.0006561200000000 ] - [ -0.0004835300000000, 0.0028806000000000, -0.0004015900000000 ] - [ 0.0049894700000000, -0.0045367100000000, -0.0048774000000000 ] - [ -0.0018466400000000, -0.0013188800000000, 0.0059814000000000 ] - [ 0.0000052200000000, -0.0001099900000000, -0.0000373400000000 ] - [ -0.0013172300000000, -0.0010006300000000, 0.0002756200000000 ] - [ -0.0014534900000000, 0.0021852900000000, 0.0010618900000000 ] - [ 0.0015364500000000, 0.0013401300000000, -0.0004777900000000 ] - [ 0.0002929900000000, -0.0012325300000000, -0.0002623300000000 ] - [ -0.0000573300000000, -0.0024157500000000, -0.0020440500000000 ] - [ 0.0006538100000000, -0.0000554200000000, -0.0005412200000000 ] - [ -0.0062951900000000, 0.0003073000000000, 0.0031395600000000 ] - [ -0.0000884500000000, -0.0003351000000000, -0.0002286300000000 ] - [ -0.0000621500000000, 0.0006583700000000, 0.0003645400000000 ] - [ -0.0013927600000000, 0.0016727200000000, 0.0030517000000000 ] - [ 0.0004802400000000, -0.0001148700000000, -0.0003422000000000 ] - [ 0.0014568100000000, 0.0003173900000000, -0.0007817400000000 ] - [ -0.0021283100000000, -0.0011644600000000, 0.0018022900000000 ] - [ -0.0005763900000000, -0.0000046700000000, 0.0004481400000000 ] - [ 0.0007434800000000, -0.0005391600000000, -0.0001040600000000 ] - [ 0.0001116100000000, -0.0008942300000000, -0.0000839200000000 ] - [ -0.0000440600000000, -0.0001228400000000, 0.0002028300000000 ] - [ -0.0006969900000000, 0.0004439000000000, -0.0007521700000000 ] - [ -0.0004007800000000, -0.0002628700000000, 0.0002321300000000 ] - [ -0.0009640600000000, 0.0007806000000000, 0.0002843000000000 ] - [ -0.0002818100000000, 0.0010586700000000, 0.0009187700000000 ] - [ -0.0010697000000000, -0.0008824300000000, 0.0016075400000000 ] - [ 0.0001841000000000, 0.0001278800000000, -0.0003488400000000 ] - [ 0.0004780900000000, 0.0002229100000000, -0.0001721700000000 ] - [ -0.0000383400000000, 0.0000274800000000, 0.0003185800000000 ] - [ -0.0000766200000000, 0.0004853100000000, 0.0005430900000000 ] - [ -0.0003838300000000, 0.0004588700000000, 0.0009806000000000 ] - [ 0.0000948300000000, -0.0001385300000000, 0.0002204600000000 ] - [ -0.0000579600000000, 0.0005883900000000, 0.0001235900000000 ] - [ -0.0002165700000000, 0.0006723100000000, 0.0009051500000000 ] - [ 0.0002199400000000, -0.0004768200000000, 0.0001989100000000 ] - [ 0.0000553400000000, 0.0003238300000000, 0.0001469500000000 ] - [ 0.0015116000000000, 0.0007282700000000, 0.0039515900000000 ] - [ 0.0000649700000000, -0.0000826600000000, 0.0005375400000000 ] - [ 0.0000919500000000, -0.0008805800000000, 0.0004994300000000 ] - [ 0.0000477200000000, -0.0007763800000000, 0.0004605800000000 ] - [ -0.0003251500000000, 0.0003546200000000, 0.0004850700000000 ] - [ -0.0003139300000000, 0.0000305100000000, 0.0002608600000000 ] - [ 0.0007397700000000, -0.0002810000000000, 0.0000632600000000 ] - [ 0.0012999400000000, -0.0004989100000000, 0.0007865500000000 ] - [ 0.0008976600000000, 0.0001187800000000, 0.0003400200000000 ] - [ -0.0002185900000000, -0.0002981000000000, 0.0000527600000000 ] - [ -0.0003237000000000, -0.0003191700000000, 0.0001933900000000 ] - [ -0.0018925200000000, 0.0005193500000000, 0.0012475300000000 ] - [ -0.0000242200000000, -0.0003396100000000, 0.0000012200000000 ] - [ -0.0011689700000000, 0.0003600600000000, -0.0007296500000000 ] - [ 0.0003106200000000, -0.0001378800000000, -0.0005108200000000 ] - [ 0.0001257300000000, -0.0002281200000000, -0.0006939400000000 ] - [ 0.0004728100000000, 0.0004589200000000, 0.0001471600000000 ] - [ 0.0004025400000000, 0.0007088100000000, 0.0001201400000000 ] - [ -0.0016029900000000, 0.0005842200000000, 0.0009383900000000 ] - [ -0.0002771600000000, -0.0004475300000000, 0.0002468300000000 ] - [ 0.0000842600000000, -0.0002236100000000, 0.0000021600000000 ] - [ 0.0008998500000000, 0.0005905600000000, -0.0002339800000000 ] - [ -0.0010834700000000, -0.0001425600000000, 0.0006976700000000 ] - [ -0.0005015900000000, -0.0011180000000000, 0.0010803700000000 ] - [ -0.0005698700000000, 0.0003533900000000, -0.0004731300000000 ] - [ -0.0012127600000000, -0.0019722200000000, -0.0002670500000000 ] - [ 0.0043577300000000, 0.0015278900000000, -0.0034807200000000 ] - [ 0.0003259200000000, -0.0000946100000000, -0.0003480300000000 ] - [ 0.0029918100000000, 0.0015563600000000, 0.0063055400000000 ] - [ 0.0001809100000000, -0.0000055700000000, 0.0001374800000000 ] - [ 0.0000632700000000, 0.0001709200000000, -0.0004982200000000 ] - [ -0.0138352100000000, -0.0092341000000000, 0.0019691700000000 ] - [ -0.0029736000000000, 0.0046389800000000, 0.0033058100000000 ] - [ -0.0003369800000000, -0.0003131300000000, 0.0003202400000000 ] - [ 0.0007432200000000, -0.0017429800000000, 0.0001604800000000 ] - [ 0.0047190700000000, 0.0057603300000000, 0.0016971700000000 ] - [ 0.0033391200000000, -0.0084972800000000, -0.0017976400000000 ] - [ -0.0000889000000000, 0.0015161200000000, -0.0015557000000000 ] - [ -0.0000382500000000, -0.0000016500000000, -0.0002527600000000 ] - [ 0.0043340000000000, -0.0069241200000000, 0.0196606400000000 ]- atom: 51 displacement: [ 0.0053126970990986, 0.0000000000000000, -0.0084720274747683 ] forces: - [ 0.0031166800000000, -0.0094236900000000, -0.0171276800000000 ] - [ 0.0004896700000000, -0.0019508200000000, -0.0013999900000000 ] - [ 0.0005810900000000, -0.0000565500000000, 0.0004590100000000 ] - [ 0.0044506100000000, -0.0062424100000000, 0.0029453800000000 ] - [ 0.0000746300000000, -0.0015406900000000, -0.0008310100000000 ] - [ -0.0033919600000000, 0.0056864800000000, -0.0038741000000000 ] - [ -0.0004884600000000, -0.0004548500000000, 0.0014939600000000 ] - [ -0.0014915800000000, 0.0008729200000000, 0.0026930000000000 ] - [ 0.0006338500000000, 0.0000968000000000, -0.0013103800000000 ] - [ 0.0002250900000000, -0.0003183900000000, -0.0003529700000000 ] - [ -0.0030731700000000, -0.0013191100000000, -0.0001659300000000 ] - [ -0.0001162300000000, 0.0006540100000000, 0.0000656400000000 ] - [ -0.0006757100000000, 0.0060257600000000, 0.0054230700000000 ] - [ -0.0002314500000000, -0.0001206800000000, 0.0004020600000000 ] - [ -0.0005948900000000, 0.0000562900000000, 0.0004588400000000 ] - [ -0.0011415900000000, -0.0002698300000000, 0.0009796200000000 ] - [ 0.0005073300000000, -0.0002538500000000, 0.0004779300000000 ] - [ 0.0001215100000000, 0.0003094200000000, 0.0010035800000000 ] - [ -0.0007804700000000, -0.0014848400000000, 0.0039357600000000 ] - [ -0.0004503600000000, -0.0002696200000000, 0.0007930700000000 ] - [ 0.0002311100000000, -0.0004470100000000, -0.0012479700000000 ] - [ -0.0003100500000000, -0.0011892200000000, -0.0005477100000000 ] - [ 0.0034932000000000, -0.0001354200000000, 0.0001339800000000 ] - [ 0.0010253800000000, -0.0002869800000000, 0.0000958200000000 ] - [ -0.0010390600000000, 0.0000506400000000, -0.0000439200000000 ] - [ -0.0067100800000000, 0.0009539100000000, 0.0039480000000000 ] - [ 0.0008589800000000, 0.0000880500000000, -0.0006806700000000 ] - [ -0.0006393000000000, 0.0004143900000000, -0.0065789900000000 ] - [ 0.0005051600000000, -0.0003347200000000, 0.0004430800000000 ] - [ 0.0004032800000000, 0.0020422400000000, 0.0018561900000000 ] - [ 0.0005229800000000, 0.0058540000000000, -0.0153620300000000 ] - [ -0.0005824900000000, -0.0002662600000000, -0.0007295700000000 ] - [ -0.0011928500000000, -0.0032909700000000, 0.0022714300000000 ] - [ -0.0000240900000000, 0.0047774900000000, 0.0008487600000000 ] - [ -0.0054190300000000, -0.0002433300000000, 0.0058562700000000 ] - [ -0.0004185500000000, -0.0002268700000000, -0.0002966200000000 ] - [ 0.0002824800000000, -0.0000696800000000, 0.0005498000000000 ] - [ 0.0008861500000000, 0.0009464700000000, -0.0003089900000000 ] - [ -0.0000765200000000, 0.0000521600000000, 0.0001293500000000 ] - [ 0.0000404900000000, 0.0001859800000000, -0.0001859200000000 ] - [ 0.0005375000000000, 0.0009039000000000, 0.0026327400000000 ] - [ 0.0000877800000000, -0.0002571300000000, 0.0009088500000000 ] - [ 0.0005787900000000, -0.0003065000000000, -0.0006319000000000 ] - [ 0.0012012600000000, 0.0003064900000000, -0.0008760600000000 ] - [ -0.0045283800000000, 0.0016206000000000, 0.0006867300000000 ] - [ -0.0007329500000000, -0.0016206000000000, 0.0015907500000000 ] - [ -0.0007192900000000, 0.0002975000000000, -0.0011949300000000 ] - [ 0.0487876900000000, 0.0875910100000000, -0.1172401800000000 ] - [ -0.0002092200000000, 0.0012520000000000, -0.0005321700000000 ] - [ 0.0001079900000000, -0.0011465200000000, -0.0004701300000000 ] - [ -0.0422328400000000, -0.1051644000000000, 0.1754724000000000 ] - [ 0.0003418200000000, -0.0006545900000000, 0.0008686000000000 ] - [ 0.0001225100000000, -0.0028505000000000, 0.0005115700000000 ] - [ -0.0053148000000000, 0.0046498300000000, 0.0049257400000000 ] - [ 0.0023760700000000, 0.0009252400000000, -0.0063006900000000 ] - [ 0.0006031700000000, -0.0003167700000000, -0.0002215900000000 ] - [ 0.0007297500000000, 0.0005694000000000, -0.0000009100000000 ] - [ 0.0008371100000000, -0.0026312900000000, -0.0008065500000000 ] - [ -0.0015344900000000, -0.0016378000000000, 0.0002595500000000 ] - [ -0.0002921700000000, 0.0009143800000000, 0.0000647700000000 ] - [ 0.0000190800000000, 0.0021096500000000, 0.0022447100000000 ] - [ -0.0006746600000000, -0.0002545300000000, 0.0007337000000000 ] - [ 0.0064823000000000, -0.0003786800000000, -0.0037418600000000 ] - [ 0.0002003900000000, 0.0002883700000000, -0.0004053800000000 ] - [ 0.0002118200000000, 0.0007668500000000, -0.0001530000000000 ] - [ 0.0015521500000000, -0.0003192800000000, -0.0028945800000000 ] - [ -0.0001720300000000, 0.0001349600000000, 0.0002467800000000 ] - [ -0.0011011200000000, -0.0002446300000000, 0.0006764700000000 ] - [ 0.0018061700000000, 0.0011357300000000, -0.0017066100000000 ] - [ 0.0002097200000000, -0.0001026600000000, -0.0003350300000000 ] - [ -0.0008990500000000, -0.0008681300000000, -0.0000854300000000 ] - [ -0.0002900100000000, -0.0004680300000000, -0.0000517400000000 ] - [ -0.0000951400000000, 0.0001990500000000, 0.0003368400000000 ] - [ 0.0005816600000000, -0.0003936900000000, 0.0013604100000000 ] - [ 0.0004060000000000, 0.0005819400000000, -0.0004124900000000 ] - [ 0.0009779300000000, -0.0004750700000000, -0.0004687600000000 ] - [ 0.0002620600000000, -0.0007374500000000, -0.0007403800000000 ] - [ 0.0010571800000000, 0.0011814700000000, -0.0014203700000000 ] - [ 0.0004924800000000, 0.0003168100000000, 0.0000996200000000 ] - [ 0.0001774600000000, 0.0002255700000000, -0.0000952300000000 ] - [ -0.0004738400000000, 0.0003673600000000, -0.0000555600000000 ] - [ -0.0005288800000000, -0.0000565900000000, -0.0002789800000000 ] - [ 0.0007365300000000, -0.0005271300000000, -0.0010756200000000 ] - [ 0.0002348600000000, 0.0000855100000000, -0.0003172600000000 ] - [ -0.0001055700000000, 0.0007957400000000, -0.0002828600000000 ] - [ 0.0000545900000000, 0.0007385400000000, -0.0010845600000000 ] - [ -0.0001468000000000, 0.0005156800000000, -0.0008934800000000 ] - [ 0.0000348800000000, -0.0002876200000000, -0.0008086100000000 ] - [ -0.0016253800000000, -0.0007853400000000, -0.0033457700000000 ] - [ -0.0001991600000000, 0.0000205900000000, 0.0000254500000000 ] - [ 0.0000334500000000, -0.0005721800000000, -0.0002402200000000 ] - [ 0.0000865300000000, -0.0006689200000000, -0.0002254900000000 ] - [ -0.0000866700000000, -0.0002191600000000, -0.0003752800000000 ] - [ -0.0000714800000000, 0.0000886600000000, -0.0001460600000000 ] - [ -0.0000812000000000, -0.0001669000000000, -0.0003285100000000 ] - [ -0.0006851000000000, 0.0000668300000000, -0.0010502800000000 ] - [ -0.0014748500000000, -0.0005296500000000, -0.0000882800000000 ] - [ -0.0003212600000000, -0.0001078300000000, 0.0002107600000000 ] - [ 0.0003364600000000, 0.0000127900000000, -0.0003790000000000 ] - [ 0.0019027300000000, -0.0008351200000000, -0.0014252400000000 ] - [ 0.0000222500000000, 0.0000332300000000, 0.0001875100000000 ] - [ 0.0011655500000000, -0.0006831800000000, 0.0009183400000000 ] - [ -0.0002185200000000, 0.0000981000000000, -0.0001434400000000 ] - [ -0.0000204500000000, 0.0001639400000000, 0.0000767300000000 ] - [ -0.0003372900000000, 0.0009812600000000, 0.0000796800000000 ] - [ -0.0002540800000000, 0.0006962300000000, 0.0000788500000000 ] - [ 0.0019460100000000, -0.0005186900000000, -0.0010496600000000 ] - [ 0.0005822600000000, 0.0004635700000000, -0.0003516000000000 ] - [ -0.0004751100000000, 0.0001171500000000, 0.0001059900000000 ] - [ -0.0012568300000000, -0.0006828500000000, 0.0003381300000000 ] - [ 0.0009232400000000, -0.0012289500000000, -0.0008568500000000 ] - [ 0.0003303000000000, -0.0002344200000000, -0.0012241500000000 ] - [ 0.0004616100000000, -0.0002769300000000, 0.0010698800000000 ] - [ 0.0010648900000000, 0.0020473700000000, 0.0008091800000000 ] - [ -0.0043538000000000, -0.0012199100000000, 0.0033116200000000 ] - [ -0.0003207100000000, 0.0004196300000000, 0.0001673200000000 ] - [ -0.0029831600000000, -0.0012413600000000, -0.0061156700000000 ] - [ -0.0001774400000000, 0.0003253700000000, 0.0000412800000000 ] - [ 0.0005507500000000, 0.0002565000000000, 0.0002409300000000 ] - [ 0.0142233900000000, 0.0094928400000000, -0.0022216500000000 ] - [ 0.0024054700000000, -0.0041643200000000, -0.0030014500000000 ] - [ -0.0001648600000000, 0.0007154000000000, -0.0000509100000000 ] - [ -0.0003898100000000, 0.0016648500000000, -0.0002633100000000 ] - [ -0.0043633100000000, -0.0058607600000000, -0.0017890400000000 ] - [ -0.0035238500000000, 0.0098491200000000, 0.0017032500000000 ] - [ -0.0000516200000000, -0.0001015500000000, 0.0013470200000000 ] - [ 0.0001419400000000, 0.0000566100000000, -0.0003778100000000 ] - [ -0.0041001000000000, 0.0068827200000000, -0.0199187200000000 ]- atom: 53 displacement: [ 0.0099999699248486, 0.0000000000000000, 0.0000245255402261 ] forces: - [ 0.0146957500000000, 0.0027661900000000, 0.0000148900000000 ] - [ 0.0028867100000000, 0.0031038500000000, 0.0006948300000000 ] - [ 0.0102061700000000, -0.0032934600000000, -0.0056046800000000 ] - [ 0.0005286100000000, 0.0002055200000000, 0.0003934200000000 ] - [ 0.0151524700000000, 0.0047154700000000, -0.0008534000000000 ] - [ 0.0009257700000000, 0.0002598300000000, -0.0000171700000000 ] - [ 0.0020947300000000, -0.0007036100000000, 0.0054593000000000 ] - [ 0.0009113400000000, 0.0001813100000000, 0.0009178700000000 ] - [ -0.0026884200000000, 0.0043997600000000, -0.0033171600000000 ] - [ 0.0004737400000000, -0.0014465600000000, -0.0006892900000000 ] - [ -0.0016706400000000, 0.0039580100000000, 0.0016960100000000 ] - [ -0.0003608500000000, -0.0021541100000000, 0.0011280800000000 ] - [ 0.0022268300000000, 0.0008447500000000, 0.0014033100000000 ] - [ -0.0001091800000000, 0.0028414000000000, 0.0027902800000000 ] - [ -0.0040432500000000, -0.0008024100000000, 0.0008037000000000 ] - [ -0.0007241700000000, 0.0002505300000000, 0.0001680000000000 ] - [ -0.0027336700000000, -0.0006784700000000, 0.0001419200000000 ] - [ -0.0001891900000000, 0.0002470600000000, -0.0000079000000000 ] - [ -0.0007424500000000, -0.0006511700000000, 0.0001185800000000 ] - [ -0.0006940700000000, -0.0001853300000000, 0.0003466000000000 ] - [ -0.0013519100000000, -0.0014122900000000, -0.0009017300000000 ] - [ -0.0014402600000000, 0.0007456700000000, -0.0008327900000000 ] - [ -0.0003614100000000, 0.0004914700000000, -0.0008672800000000 ] - [ -0.0008562700000000, -0.0001252500000000, -0.0016922500000000 ] - [ -0.0070389300000000, 0.0003286600000000, 0.0052013200000000 ] - [ -0.0007991500000000, -0.0000465900000000, 0.0000885100000000 ] - [ -0.0046109700000000, -0.0017588300000000, -0.0064293300000000 ] - [ -0.0003660900000000, 0.0008713500000000, -0.0001024300000000 ] - [ -0.0016211600000000, 0.0001393700000000, -0.0016604900000000 ] - [ -0.0004610300000000, 0.0007876300000000, -0.0006339000000000 ] - [ -0.0006013900000000, -0.0013108800000000, -0.0009607300000000 ] - [ -0.0010981200000000, 0.0010025800000000, -0.0034344500000000 ] - [ 0.0053219800000000, 0.0005977500000000, -0.0029764100000000 ] - [ 0.0007029400000000, 0.0005366500000000, -0.0000581300000000 ] - [ 0.0009907800000000, 0.0004644300000000, 0.0004919900000000 ] - [ 0.0012096500000000, -0.0007063700000000, 0.0024303000000000 ] - [ -0.0050106000000000, -0.0046456800000000, -0.0014777600000000 ] - [ -0.0004716000000000, 0.0010922000000000, 0.0001123400000000 ] - [ -0.0021065600000000, 0.0002507800000000, -0.0010863700000000 ] - [ -0.0010642000000000, 0.0001717900000000, -0.0008029000000000 ] - [ -0.0008651900000000, 0.0008424700000000, 0.0005975200000000 ] - [ -0.0006490000000000, -0.0006615000000000, 0.0009974300000000 ] - [ -0.0015591000000000, -0.0003486300000000, -0.0031010900000000 ] - [ -0.0001629000000000, 0.0000222300000000, -0.0011732900000000 ] - [ -0.0026642500000000, -0.0019237300000000, 0.0023158200000000 ] - [ -0.0005183200000000, 0.0014733200000000, 0.0010227500000000 ] - [ 0.0787967600000000, -0.0639836700000000, -0.0078068700000000 ] - [ 0.0004713500000000, 0.0001254900000000, -0.0003380600000000 ] - [ -0.0004466900000000, -0.0000348400000000, 0.0010188900000000 ] - [ 0.0000111400000000, -0.0002108200000000, 0.0006337000000000 ] - [ 0.0000556000000000, -0.0007451900000000, -0.0003137200000000 ] - [ -0.0045159400000000, -0.0073414300000000, 0.0032914100000000 ] - [ -0.1398106300000000, 0.0887307300000000, 0.0201783700000000 ] - [ -0.0006186800000000, -0.0006542300000000, 0.0000374100000000 ] - [ -0.0002863300000000, -0.0001446100000000, -0.0001195300000000 ] - [ -0.0006000400000000, -0.0000851100000000, -0.0002959200000000 ] - [ -0.0039295200000000, -0.0012139700000000, -0.0041858400000000 ] - [ -0.0009638200000000, -0.0005064000000000, -0.0000006000000000 ] - [ -0.0026008300000000, -0.0040069000000000, 0.0028594000000000 ] - [ -0.0013026900000000, -0.0009717700000000, -0.0003520400000000 ] - [ 0.0051108700000000, -0.0123871400000000, -0.0012893900000000 ] - [ -0.0014540400000000, 0.0002558600000000, 0.0003154200000000 ] - [ -0.0005699300000000, -0.0009146000000000, -0.0010505700000000 ] - [ -0.0006527800000000, 0.0034277000000000, -0.0037072000000000 ] - [ -0.0001910400000000, 0.0008008200000000, -0.0023985100000000 ] - [ -0.0001320500000000, 0.0004511800000000, -0.0004818000000000 ] - [ 0.0119927800000000, -0.0002883800000000, 0.0068902400000000 ] - [ -0.0001873500000000, -0.0003143100000000, 0.0001715500000000 ] - [ -0.0008337200000000, -0.0006190100000000, -0.0011258200000000 ] - [ 0.0001461500000000, 0.0005471400000000, -0.0011410900000000 ] - [ 0.0004443500000000, -0.0017301300000000, 0.0005940500000000 ] - [ 0.0004203800000000, 0.0012625200000000, 0.0017547600000000 ] - [ 0.0027998100000000, 0.0045656500000000, 0.0012921500000000 ] - [ 0.0001472000000000, -0.0014567000000000, 0.0006896400000000 ] - [ 0.0077544900000000, -0.0062417000000000, -0.0076605000000000 ] - [ -0.0000715800000000, 0.0003082400000000, -0.0004212700000000 ] - [ -0.0011616300000000, 0.0000226900000000, -0.0014665100000000 ] - [ -0.0001075300000000, -0.0005015200000000, -0.0002807100000000 ] - [ 0.0020921100000000, -0.0002176200000000, 0.0001499600000000 ] - [ 0.0010847000000000, 0.0009200400000000, 0.0001069900000000 ] - [ 0.0030870200000000, 0.0005964300000000, 0.0006111100000000 ] - [ 0.0002605700000000, -0.0000502800000000, 0.0003522500000000 ] - [ 0.0014463600000000, -0.0008453600000000, -0.0007568100000000 ] - [ 0.0004098200000000, 0.0001189700000000, -0.0004886900000000 ] - [ 0.0009029000000000, 0.0014321500000000, -0.0001478400000000 ] - [ 0.0002172400000000, 0.0002911000000000, 0.0000469400000000 ] - [ 0.0008214400000000, 0.0000486300000000, 0.0001507000000000 ] - [ 0.0004078100000000, -0.0001685600000000, -0.0001212600000000 ] - [ -0.0001169300000000, -0.0006118700000000, 0.0000082600000000 ] - [ -0.0007567400000000, 0.0012137100000000, -0.0004465200000000 ] - [ 0.0010347000000000, -0.0004584000000000, 0.0005954400000000 ] - [ 0.0003475800000000, -0.0008271200000000, 0.0001687700000000 ] - [ 0.0006067400000000, -0.0001780000000000, 0.0001178800000000 ] - [ 0.0006080500000000, -0.0000205800000000, 0.0000754100000000 ] - [ 0.0014214900000000, -0.0003119100000000, 0.0005369300000000 ] - [ 0.0003552600000000, -0.0003537500000000, -0.0001323000000000 ] - [ 0.0004595200000000, -0.0002256800000000, 0.0005246200000000 ] - [ 0.0003270900000000, -0.0001064500000000, 0.0004723900000000 ] - [ 0.0025798600000000, -0.0001721400000000, -0.0002901900000000 ] - [ 0.0003639100000000, -0.0001473000000000, -0.0000097000000000 ] - [ 0.0038134500000000, -0.0004836500000000, 0.0006493100000000 ] - [ 0.0004583200000000, -0.0001515900000000, 0.0000836700000000 ] - [ 0.0011406900000000, 0.0008011900000000, 0.0009480200000000 ] - [ 0.0003026500000000, -0.0003175800000000, 0.0001571400000000 ] - [ 0.0010427200000000, 0.0002712500000000, 0.0020143100000000 ] - [ 0.0002655900000000, 0.0008933300000000, 0.0005202300000000 ] - [ 0.0009944200000000, 0.0007909900000000, -0.0003955200000000 ] - [ 0.0009288200000000, -0.0011135200000000, -0.0005737000000000 ] - [ 0.0006454700000000, 0.0001937400000000, 0.0012828400000000 ] - [ 0.0000238400000000, -0.0002580700000000, 0.0003626900000000 ] - [ -0.0000342500000000, -0.0001045800000000, -0.0022128200000000 ] - [ -0.0000730200000000, -0.0011637100000000, -0.0005613000000000 ] - [ 0.0015422200000000, 0.0019157300000000, 0.0004741100000000 ] - [ 0.0001480200000000, -0.0004439700000000, 0.0004566500000000 ] - [ 0.0004554000000000, 0.0003134500000000, 0.0003193600000000 ] - [ 0.0010438300000000, -0.0007561600000000, 0.0014053400000000 ] - [ 0.0004455400000000, 0.0000968300000000, 0.0004090500000000 ] - [ 0.0006964000000000, 0.0002012100000000, 0.0007875600000000 ] - [ 0.0193408100000000, -0.0066751700000000, -0.0004397100000000 ] - [ 0.0001881400000000, 0.0001528700000000, -0.0001962600000000 ] - [ -0.0000017900000000, 0.0037909900000000, -0.0019846100000000 ] - [ -0.0000411700000000, -0.0007304800000000, -0.0003072000000000 ] - [ -0.0005358500000000, 0.0002284100000000, 0.0022663600000000 ] - [ 0.0002422700000000, -0.0000310900000000, 0.0001629000000000 ] - [ -0.0005245700000000, 0.0048613800000000, 0.0050074500000000 ] - [ -0.0000646400000000, -0.0005724800000000, 0.0005269900000000 ] - [ -0.0062716000000000, -0.0084471500000000, -0.0079067600000000 ] - [ -0.0005394000000000, -0.0000708700000000, -0.0007252800000000 ]- atom: 53 displacement: [ -0.0099999699248486, 0.0000000000000000, -0.0000245255402261 ] forces: - [ -0.0134957800000000, -0.0024911100000000, 0.0002952500000000 ] - [ -0.0016977500000000, -0.0030426200000000, -0.0003182300000000 ] - [ -0.0101539400000000, 0.0022009900000000, 0.0061021400000000 ] - [ -0.0005281300000000, -0.0013146600000000, -0.0000178800000000 ] - [ -0.0138891500000000, -0.0055364600000000, -0.0003737200000000 ] - [ -0.0008941700000000, -0.0013724500000000, -0.0003417000000000 ] - [ -0.0009149200000000, 0.0006603700000000, -0.0050715100000000 ] - [ 0.0002610400000000, -0.0002280800000000, -0.0005345900000000 ] - [ 0.0015436500000000, -0.0043365400000000, 0.0029224400000000 ] - [ -0.0016370600000000, 0.0014810600000000, 0.0003234400000000 ] - [ 0.0016569600000000, -0.0028284900000000, -0.0013428500000000 ] - [ 0.0003470300000000, 0.0032276600000000, -0.0007727000000000 ] - [ -0.0022431500000000, 0.0002539500000000, -0.0017377200000000 ] - [ 0.0001239100000000, -0.0017066500000000, -0.0031263800000000 ] - [ 0.0028326200000000, 0.0007624400000000, -0.0011438800000000 ] - [ -0.0004606300000000, -0.0003045300000000, -0.0005436300000000 ] - [ 0.0038944700000000, 0.0007142200000000, 0.0002294100000000 ] - [ 0.0013692800000000, -0.0001951000000000, 0.0003903100000000 ] - [ 0.0007273200000000, -0.0004456200000000, 0.0002409400000000 ] - [ 0.0006775200000000, -0.0009323200000000, 0.0000101400000000 ] - [ 0.0013656300000000, 0.0003120500000000, 0.0005526100000000 ] - [ 0.0014632000000000, -0.0018536500000000, 0.0004575900000000 ] - [ 0.0015414600000000, -0.0005401400000000, 0.0012409700000000 ] - [ 0.0020283100000000, 0.0000827400000000, 0.0020650500000000 ] - [ 0.0058950700000000, -0.0003012700000000, -0.0055934500000000 ] - [ -0.0003918900000000, 0.0000964600000000, -0.0004558000000000 ] - [ 0.0046188500000000, 0.0028828700000000, 0.0068242800000000 ] - [ 0.0003410400000000, 0.0002223200000000, 0.0004653600000000 ] - [ 0.0016369600000000, 0.0009625500000000, 0.0012929900000000 ] - [ 0.0004757400000000, 0.0003241100000000, 0.0002759800000000 ] - [ -0.0005861100000000, 0.0012701500000000, 0.0005666500000000 ] - [ -0.0001029100000000, -0.0010531600000000, 0.0030342200000000 ] - [ -0.0053270800000000, -0.0008028300000000, 0.0041515100000000 ] - [ -0.0006992200000000, -0.0007529800000000, 0.0012533900000000 ] - [ -0.0009867800000000, -0.0006728100000000, -0.0016990500000000 ] - [ -0.0012025100000000, 0.0004814900000000, -0.0036215500000000 ] - [ 0.0049967400000000, 0.0048334900000000, 0.0026663000000000 ] - [ 0.0004776500000000, -0.0008781100000000, 0.0010926200000000 ] - [ 0.0020981100000000, -0.0000313700000000, -0.0001213200000000 ] - [ 0.0010618800000000, 0.0000442300000000, -0.0004026500000000 ] - [ 0.0008699500000000, -0.0010542900000000, 0.0006178700000000 ] - [ 0.0006550800000000, 0.0004462400000000, 0.0002289800000000 ] - [ 0.0015589700000000, 0.0001398500000000, 0.0018897100000000 ] - [ 0.0001623400000000, -0.0002420200000000, -0.0000348900000000 ] - [ 0.0026664000000000, 0.0021611500000000, -0.0011147600000000 ] - [ 0.0005038000000000, -0.0012670600000000, 0.0001868300000000 ] - [ -0.0806701600000000, 0.0677157000000000, 0.0069149200000000 ] - [ -0.0004875000000000, 0.0000724700000000, -0.0008570700000000 ] - [ 0.0003594100000000, -0.0000077000000000, -0.0003497000000000 ] - [ -0.0000788300000000, 0.0001711200000000, 0.0000564000000000 ] - [ 0.0001523900000000, -0.0005893600000000, 0.0005078600000000 ] - [ 0.0047131100000000, 0.0058797500000000, -0.0030554500000000 ] - [ 0.1398170500000000, -0.0926410400000000, -0.0196088800000000 ] - [ 0.0002724700000000, 0.0007018700000000, 0.0000531200000000 ] - [ 0.0010052700000000, -0.0003085400000000, -0.0001159200000000 ] - [ 0.0011618000000000, -0.0003185900000000, 0.0000316600000000 ] - [ 0.0032449700000000, 0.0007651100000000, 0.0044596000000000 ] - [ 0.0003029900000000, 0.0000836800000000, 0.0002417800000000 ] - [ 0.0025527900000000, 0.0037551500000000, -0.0030852800000000 ] - [ 0.0012884500000000, 0.0006740800000000, 0.0001660400000000 ] - [ -0.0050689800000000, 0.0119493200000000, 0.0014575700000000 ] - [ 0.0014350000000000, -0.0005397100000000, -0.0001218100000000 ] - [ 0.0006093200000000, 0.0008925300000000, 0.0003096500000000 ] - [ 0.0007666500000000, -0.0034542400000000, 0.0030875200000000 ] - [ 0.0003653800000000, 0.0005980700000000, 0.0025646400000000 ] - [ 0.0002460200000000, 0.0010251000000000, 0.0007515600000000 ] - [ -0.0114747900000000, 0.0003224700000000, -0.0068591200000000 ] - [ 0.0006100400000000, 0.0004529600000000, -0.0002706600000000 ] - [ 0.0003881100000000, 0.0004638700000000, 0.0012046300000000 ] - [ -0.0004858800000000, -0.0005854600000000, 0.0012326200000000 ] - [ -0.0005725900000000, 0.0002581800000000, -0.0008470100000000 ] - [ -0.0005935100000000, -0.0026401500000000, -0.0018996700000000 ] - [ -0.0028860400000000, -0.0044638700000000, -0.0006826800000000 ] - [ -0.0002079300000000, 0.0014721800000000, 0.0000278000000000 ] - [ -0.0076590900000000, 0.0064522500000000, 0.0074089300000000 ] - [ 0.0000760200000000, -0.0000180100000000, 0.0002282100000000 ] - [ 0.0011677500000000, 0.0002820800000000, 0.0016255500000000 ] - [ 0.0001144600000000, 0.0007869200000000, 0.0004700200000000 ] - [ -0.0014583500000000, 0.0006307100000000, -0.0003833300000000 ] - [ -0.0003582400000000, -0.0004475600000000, -0.0003558200000000 ] - [ -0.0036416300000000, -0.0001812600000000, -0.0003475500000000 ] - [ -0.0009770400000000, 0.0004989700000000, -0.0001052700000000 ] - [ -0.0010573800000000, 0.0007525200000000, 0.0006529200000000 ] - [ -0.0000469600000000, -0.0001829800000000, 0.0003894900000000 ] - [ -0.0010552100000000, -0.0000272700000000, -0.0000404500000000 ] - [ -0.0003738900000000, 0.0011398300000000, -0.0002428700000000 ] - [ -0.0007370800000000, 0.0000042800000000, -0.0008007000000000 ] - [ -0.0003482700000000, 0.0001914300000000, -0.0005922800000000 ] - [ 0.0000197300000000, 0.0005508200000000, 0.0006085100000000 ] - [ 0.0006437800000000, -0.0012754500000000, 0.0010358200000000 ] - [ -0.0008867300000000, -0.0009601200000000, -0.0003802900000000 ] - [ -0.0002157300000000, -0.0006584500000000, 0.0001002300000000 ] - [ -0.0010048700000000, 0.0002661500000000, -0.0000252800000000 ] - [ -0.0010343200000000, 0.0001774200000000, 0.0000301100000000 ] - [ -0.0007801900000000, -0.0001233200000000, -0.0008094300000000 ] - [ 0.0001953600000000, -0.0000468900000000, -0.0001321200000000 ] - [ -0.0010883200000000, -0.0001975000000000, -0.0002810400000000 ] - [ -0.0009156200000000, -0.0003097400000000, -0.0002208200000000 ] - [ -0.0025903500000000, -0.0001116100000000, 0.0001068800000000 ] - [ -0.0003553500000000, -0.0001544600000000, -0.0001687300000000 ] - [ -0.0038308200000000, 0.0002046600000000, -0.0004691900000000 ] - [ -0.0004431900000000, -0.0001592300000000, 0.0001058000000000 ] - [ -0.0010638800000000, -0.0008559100000000, -0.0016015400000000 ] - [ -0.0001803300000000, 0.0002406200000000, -0.0007129700000000 ] - [ -0.0008933300000000, 0.0011422900000000, -0.0018019000000000 ] - [ -0.0000908600000000, 0.0004683700000000, -0.0003777500000000 ] - [ -0.0005591900000000, -0.0006499700000000, 0.0003013000000000 ] - [ -0.0006029500000000, 0.0011624200000000, 0.0004748700000000 ] - [ -0.0010371200000000, -0.0002775500000000, -0.0011817800000000 ] - [ -0.0003549900000000, 0.0002209200000000, -0.0002702800000000 ] - [ -0.0000935300000000, -0.0013707300000000, 0.0019618200000000 ] - [ -0.0001048000000000, -0.0002141500000000, 0.0004024200000000 ] - [ -0.0016030500000000, -0.0019007100000000, 0.0002467100000000 ] - [ -0.0002734200000000, 0.0005311500000000, 0.0001009600000000 ] - [ -0.0004475300000000, -0.0000301500000000, -0.0005133100000000 ] - [ -0.0010507600000000, 0.0010795800000000, -0.0015977100000000 ] - [ -0.0004561600000000, 0.0001923600000000, -0.0002155000000000 ] - [ -0.0006895000000000, 0.0001054000000000, -0.0006042000000000 ] - [ -0.0190140500000000, 0.0072474200000000, 0.0001921300000000 ] - [ 0.0003854700000000, 0.0002666600000000, -0.0000825700000000 ] - [ -0.0006779500000000, -0.0033665900000000, 0.0022422500000000 ] - [ -0.0004964900000000, 0.0011295900000000, 0.0005657800000000 ] - [ 0.0009345200000000, -0.0003339100000000, -0.0023682300000000 ] - [ 0.0001547300000000, -0.0000868200000000, -0.0002680700000000 ] - [ 0.0004106800000000, -0.0034543100000000, -0.0052178200000000 ] - [ -0.0000747900000000, 0.0020047900000000, -0.0007528000000000 ] - [ 0.0064533600000000, 0.0084411700000000, 0.0072123700000000 ] - [ 0.0006626000000000, 0.0001428500000000, 0.0001356900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003318200000000, 0.0399896700000000, -0.0053964900000000 ] - [ -0.0023483200000000, -0.0107914900000000, -0.0019624100000000 ] - [ -0.0030169000000000, 0.0165696500000000, -0.0019028500000000 ] - [ 0.0003593800000000, -0.0043499400000000, 0.0007820300000000 ] - [ 0.0027411900000000, 0.0162898600000000, -0.0008698100000000 ] - [ 0.0003836100000000, -0.0039431800000000, -0.0003983900000000 ] - [ 0.0011451300000000, 0.0028736900000000, -0.0001353700000000 ] - [ 0.0010347500000000, -0.0022877300000000, -0.0000285900000000 ] - [ 0.0055277700000000, 0.0006137100000000, 0.0024452300000000 ] - [ -0.0023980500000000, -0.0013180100000000, -0.0005094400000000 ] - [ 0.0038791800000000, -0.0002126600000000, -0.0026854500000000 ] - [ -0.0009954800000000, -0.0002385300000000, 0.0002544100000000 ] - [ -0.0018205500000000, -0.0005595300000000, 0.0048632100000000 ] - [ 0.0004955500000000, -0.0065219900000000, -0.0052262200000000 ] - [ -0.0003988400000000, 0.0020162800000000, -0.0000748200000000 ] - [ -0.0009940000000000, -0.0017658000000000, -0.0005778300000000 ] - [ 0.0010847200000000, 0.0011152600000000, 0.0000778200000000 ] - [ 0.0006122400000000, -0.0009965400000000, 0.0000964900000000 ] - [ -0.0004319500000000, -0.0005013400000000, -0.0003837300000000 ] - [ 0.0004774500000000, -0.0011432000000000, 0.0006977300000000 ] - [ -0.0006067400000000, -0.0002392100000000, -0.0002984700000000 ] - [ 0.0008685300000000, -0.0014318000000000, -0.0001879800000000 ] - [ 0.0005419000000000, -0.0003538900000000, 0.0003801400000000 ] - [ 0.0009014300000000, 0.0000209100000000, 0.0005498200000000 ] - [ 0.0027062300000000, 0.0019335800000000, -0.0021240400000000 ] - [ -0.0012336400000000, -0.0018342100000000, 0.0000992500000000 ] - [ 0.0011223900000000, 0.0044514600000000, 0.0026828500000000 ] - [ -0.0005070000000000, -0.0016823200000000, -0.0000646900000000 ] - [ -0.0001811100000000, 0.0026777300000000, -0.0002933800000000 ] - [ 0.0002119700000000, -0.0010375400000000, -0.0001769500000000 ] - [ -0.0033934200000000, -0.0027053300000000, -0.0041692800000000 ] - [ 0.0044216100000000, 0.0006881400000000, 0.0078189700000000 ] - [ -0.0001853600000000, 0.0067946200000000, -0.0043546200000000 ] - [ -0.0002416800000000, -0.0036029900000000, 0.0019164100000000 ] - [ 0.0002307600000000, -0.0010892200000000, -0.0013652200000000 ] - [ -0.0002137700000000, 0.0001297900000000, -0.0004017100000000 ] - [ -0.0008006900000000, 0.0019788100000000, -0.0002351900000000 ] - [ 0.0003125700000000, -0.0016940400000000, 0.0010172800000000 ] - [ 0.0011563700000000, 0.0010918900000000, -0.0006531600000000 ] - [ -0.0002590000000000, -0.0006854100000000, -0.0006462300000000 ] - [ 0.0004175300000000, -0.0007466400000000, 0.0014646300000000 ] - [ -0.0003968500000000, -0.0002586000000000, -0.0008570400000000 ] - [ -0.0000434100000000, 0.0015700400000000, 0.0000171300000000 ] - [ -0.0001450400000000, -0.0013297300000000, -0.0005824100000000 ] - [ -0.0056701000000000, 0.0027312300000000, 0.0002406700000000 ] - [ 0.0025572900000000, -0.0018814900000000, 0.0005799700000000 ] - [ -0.0696883100000000, 0.1127584800000000, 0.0082518100000000 ] - [ -0.0012052400000000, -0.0066591300000000, 0.0022521600000000 ] - [ 0.0003666900000000, -0.0014903200000000, 0.0016161400000000 ] - [ -0.0003434300000000, 0.0011379800000000, -0.0001174300000000 ] - [ 0.0047403700000000, 0.0113294100000000, 0.0063530300000000 ] - [ -0.0080181800000000, 0.0205743200000000, -0.0104742700000000 ] - [ 0.0931865500000000, -0.2334168500000000, -0.0155684200000000 ] - [ -0.0008295700000000, 0.0045237200000000, -0.0002048200000000 ] - [ 0.0000208300000000, 0.0000573800000000, 0.0007957500000000 ] - [ 0.0004527800000000, -0.0000474100000000, -0.0011586000000000 ] - [ -0.0013853800000000, -0.0031307600000000, 0.0014928300000000 ] - [ 0.0001669800000000, 0.0010568600000000, 0.0002273800000000 ] - [ -0.0054952300000000, 0.0052543700000000, -0.0121705000000000 ] - [ 0.0018042300000000, 0.0026348900000000, 0.0005266300000000 ] - [ -0.0158148000000000, 0.0062555200000000, 0.0040651000000000 ] - [ 0.0017108200000000, 0.0015500200000000, -0.0002009400000000 ] - [ -0.0001441700000000, 0.0013392700000000, 0.0001666200000000 ] - [ 0.0009955200000000, -0.0010859800000000, -0.0004671800000000 ] - [ -0.0007429100000000, -0.0005877400000000, 0.0009057100000000 ] - [ 0.0001589100000000, 0.0018815800000000, 0.0000957000000000 ] - [ 0.0004482500000000, -0.0043784500000000, -0.0001591800000000 ] - [ 0.0005582900000000, 0.0015973300000000, -0.0002074400000000 ] - [ 0.0003830700000000, -0.0006597800000000, -0.0004083800000000 ] - [ -0.0007392100000000, 0.0007178500000000, 0.0006228400000000 ] - [ -0.0007354900000000, 0.0003846700000000, -0.0003521600000000 ] - [ 0.0004610700000000, -0.0011850600000000, -0.0001083100000000 ] - [ 0.0012317100000000, -0.0009456100000000, 0.0001689900000000 ] - [ -0.0005498200000000, 0.0018048400000000, 0.0000503500000000 ] - [ 0.0013539000000000, -0.0030101500000000, -0.0012402600000000 ] - [ -0.0000766500000000, 0.0012918100000000, 0.0000502900000000 ] - [ -0.0003979400000000, -0.0026940700000000, -0.0005349300000000 ] - [ 0.0001120400000000, 0.0027181900000000, 0.0004218400000000 ] - [ -0.0016265100000000, -0.0000652600000000, -0.0000329500000000 ] - [ 0.0007509200000000, 0.0005357900000000, -0.0000477100000000 ] - [ -0.0002466900000000, -0.0004510400000000, 0.0003570700000000 ] - [ -0.0006904400000000, 0.0008237400000000, 0.0000078200000000 ] - [ -0.0006701200000000, -0.0006918500000000, -0.0000878600000000 ] - [ 0.0003470700000000, 0.0006670400000000, 0.0006922400000000 ] - [ -0.0000852500000000, -0.0001082700000000, 0.0004690200000000 ] - [ -0.0001710900000000, 0.0014510900000000, -0.0002413900000000 ] - [ 0.0000186300000000, -0.0007662300000000, -0.0002970500000000 ] - [ -0.0000477600000000, 0.0008071500000000, -0.0002395800000000 ] - [ -0.0004148100000000, 0.0014760200000000, -0.0004579900000000 ] - [ 0.0012874300000000, -0.0008725000000000, 0.0026066500000000 ] - [ -0.0002511900000000, -0.0016760100000000, 0.0002335700000000 ] - [ 0.0002378200000000, 0.0000672800000000, 0.0001276100000000 ] - [ -0.0002918600000000, 0.0001607300000000, 0.0001065000000000 ] - [ -0.0004008200000000, 0.0001227100000000, 0.0001086800000000 ] - [ 0.0009313300000000, -0.0014358900000000, 0.0002328000000000 ] - [ 0.0002129000000000, 0.0005013600000000, -0.0002392900000000 ] - [ -0.0003864200000000, -0.0002015000000000, -0.0001058200000000 ] - [ -0.0000210100000000, 0.0000006000000000, 0.0003891100000000 ] - [ -0.0009681900000000, -0.0007661300000000, 0.0000727600000000 ] - [ 0.0002493500000000, 0.0004846700000000, -0.0000581900000000 ] - [ -0.0012789600000000, -0.0006363100000000, -0.0001831100000000 ] - [ 0.0001661900000000, 0.0004064400000000, 0.0001373300000000 ] - [ 0.0000103800000000, -0.0011957800000000, -0.0003658000000000 ] - [ 0.0001180400000000, 0.0008657800000000, -0.0004496600000000 ] - [ -0.0004930100000000, -0.0001853500000000, -0.0010288500000000 ] - [ 0.0001919700000000, 0.0013104200000000, 0.0003237900000000 ] - [ 0.0013162700000000, 0.0003803800000000, 0.0000596900000000 ] - [ -0.0005559000000000, 0.0003431500000000, -0.0000308900000000 ] - [ -0.0004376700000000, -0.0010057800000000, -0.0001934000000000 ] - [ 0.0000830600000000, 0.0008650700000000, 0.0000031700000000 ] - [ 0.0007719700000000, -0.0029335600000000, -0.0001929000000000 ] - [ -0.0006246900000000, 0.0007709800000000, 0.0001333900000000 ] - [ 0.0007210700000000, -0.0019842200000000, 0.0007727300000000 ] - [ -0.0005099100000000, 0.0013222800000000, -0.0000966100000000 ] - [ 0.0012124700000000, 0.0007602200000000, -0.0000890800000000 ] - [ -0.0015406200000000, -0.0000428600000000, -0.0005245500000000 ] - [ 0.0004244700000000, 0.0007226300000000, 0.0008872700000000 ] - [ -0.0007234200000000, -0.0004182800000000, -0.0013297400000000 ] - [ -0.0089298400000000, -0.0034227800000000, -0.0006269200000000 ] - [ 0.0019393900000000, 0.0018989000000000, -0.0003661700000000 ] - [ 0.0065301800000000, 0.0019682200000000, -0.0039907300000000 ] - [ -0.0024196500000000, 0.0026397000000000, 0.0004571900000000 ] - [ 0.0004275100000000, -0.0037554000000000, -0.0009717500000000 ] - [ 0.0001862500000000, 0.0029152100000000, 0.0004082300000000 ] - [ 0.0047692900000000, 0.0023687500000000, 0.0097891700000000 ] - [ -0.0007270300000000, 0.0049889600000000, -0.0024500700000000 ] - [ -0.0068141300000000, 0.0198936900000000, 0.0238097800000000 ] - [ -0.0001385200000000, 0.0031849100000000, -0.0016001200000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012343500000000, -0.0432922900000000, 0.0056914000000000 ] - [ 0.0035274100000000, 0.0108398600000000, 0.0023182300000000 ] - [ 0.0030252100000000, -0.0176941300000000, 0.0024409100000000 ] - [ -0.0003878100000000, 0.0032642200000000, -0.0004248900000000 ] - [ -0.0027504100000000, -0.0175713900000000, 0.0005053800000000 ] - [ -0.0003688700000000, 0.0028559000000000, 0.0000371100000000 ] - [ 0.0000314000000000, -0.0029348500000000, 0.0004871900000000 ] - [ 0.0001474600000000, 0.0022570700000000, 0.0004105900000000 ] - [ -0.0067435000000000, -0.0006117700000000, -0.0028394800000000 ] - [ 0.0012040300000000, 0.0013805100000000, 0.0001305800000000 ] - [ -0.0039383700000000, 0.0013007800000000, 0.0030761700000000 ] - [ 0.0009784200000000, 0.0013667000000000, 0.0001076300000000 ] - [ 0.0018530300000000, 0.0016448300000000, -0.0052768200000000 ] - [ -0.0004667200000000, 0.0076426800000000, 0.0048696000000000 ] - [ -0.0007674500000000, -0.0020680700000000, -0.0002885700000000 ] - [ -0.0001959800000000, 0.0017272800000000, 0.0001964700000000 ] - [ 0.0000977500000000, -0.0010709500000000, 0.0002978100000000 ] - [ 0.0005797900000000, 0.0010562500000000, 0.0002799800000000 ] - [ 0.0004127400000000, -0.0006122300000000, 0.0007505600000000 ] - [ -0.0005042700000000, 0.0000540600000000, -0.0003219100000000 ] - [ 0.0006368500000000, -0.0008784800000000, -0.0000615200000000 ] - [ -0.0008477400000000, 0.0003393500000000, -0.0001874300000000 ] - [ 0.0006494600000000, 0.0002960200000000, -0.0000024200000000 ] - [ 0.0002871200000000, -0.0000575500000000, -0.0001705600000000 ] - [ -0.0039264800000000, -0.0018987800000000, 0.0017792200000000 ] - [ 0.0000547600000000, 0.0018923200000000, -0.0004784900000000 ] - [ -0.0011629800000000, -0.0033644100000000, -0.0023470200000000 ] - [ 0.0004954900000000, 0.0027957100000000, 0.0004363300000000 ] - [ 0.0002089200000000, -0.0015864100000000, -0.0000716700000000 ] - [ -0.0001827400000000, 0.0021463100000000, -0.0001862200000000 ] - [ 0.0022343100000000, 0.0026515900000000, 0.0038406100000000 ] - [ -0.0055932100000000, -0.0007088000000000, -0.0081809700000000 ] - [ 0.0001546500000000, -0.0070729500000000, 0.0055474400000000 ] - [ 0.0002444500000000, 0.0033991600000000, -0.0007086400000000 ] - [ -0.0002468800000000, 0.0008647900000000, 0.0001703000000000 ] - [ 0.0002095100000000, -0.0003388100000000, -0.0008089400000000 ] - [ 0.0008250900000000, -0.0017202200000000, 0.0014416100000000 ] - [ -0.0003126700000000, 0.0019183100000000, 0.0001786500000000 ] - [ -0.0011586200000000, -0.0008816100000000, -0.0005485800000000 ] - [ 0.0002602500000000, 0.0009148500000000, -0.0005588100000000 ] - [ -0.0004127400000000, 0.0005210500000000, -0.0002663200000000 ] - [ 0.0003972600000000, 0.0000482800000000, 0.0020624400000000 ] - [ 0.0000566600000000, -0.0018045200000000, -0.0012162400000000 ] - [ 0.0001380300000000, 0.0011183900000000, -0.0006196500000000 ] - [ 0.0057100300000000, -0.0025486500000000, 0.0009711100000000 ] - [ -0.0025538500000000, 0.0021183700000000, 0.0006209600000000 ] - [ 0.0649350500000000, -0.1080494400000000, -0.0089337500000000 ] - [ 0.0012299900000000, 0.0069511800000000, -0.0034931600000000 ] - [ -0.0005109700000000, 0.0014242800000000, -0.0010822500000000 ] - [ 0.0002137900000000, -0.0012266200000000, 0.0006558600000000 ] - [ -0.0046248300000000, -0.0128681300000000, -0.0063358100000000 ] - [ 0.0080557500000000, -0.0216250100000000, 0.0104470600000000 ] - [ -0.0882521300000000, 0.2321677400000000, 0.0149928100000000 ] - [ 0.0005450100000000, -0.0045161000000000, 0.0003247600000000 ] - [ 0.0005851400000000, -0.0004924500000000, -0.0010690200000000 ] - [ 0.0000616500000000, -0.0003662200000000, 0.0008784600000000 ] - [ 0.0008951600000000, 0.0027390400000000, -0.0011677500000000 ] - [ -0.0006708800000000, -0.0014580500000000, 0.0000306600000000 ] - [ 0.0055699600000000, -0.0055876200000000, 0.0121581500000000 ] - [ -0.0018003900000000, -0.0029655300000000, -0.0007075300000000 ] - [ 0.0160516500000000, -0.0066241400000000, -0.0039542100000000 ] - [ -0.0017015300000000, -0.0018737800000000, 0.0003866800000000 ] - [ 0.0002427900000000, -0.0013971200000000, -0.0008095700000000 ] - [ -0.0008518000000000, 0.0009849800000000, -0.0000774300000000 ] - [ 0.0009217900000000, 0.0019437100000000, -0.0007572600000000 ] - [ -0.0000209300000000, -0.0004821600000000, 0.0001129200000000 ] - [ -0.0002318000000000, 0.0044574500000000, 0.0000070700000000 ] - [ -0.0001853000000000, -0.0014962800000000, 0.0000982900000000 ] - [ -0.0007494700000000, 0.0005855000000000, 0.0005167200000000 ] - [ 0.0004279900000000, -0.0007716100000000, -0.0005004100000000 ] - [ 0.0005968100000000, -0.0017984800000000, 0.0001352700000000 ] - [ -0.0006466600000000, -0.0002110000000000, -0.0000610800000000 ] - [ -0.0013632400000000, 0.0009925700000000, 0.0004022400000000 ] - [ 0.0004615700000000, -0.0017584400000000, 0.0006012300000000 ] - [ -0.0013944700000000, 0.0034008100000000, 0.0010926600000000 ] - [ 0.0000848900000000, -0.0009888200000000, -0.0002342100000000 ] - [ 0.0004044700000000, 0.0030439400000000, 0.0007002700000000 ] - [ -0.0001190500000000, -0.0024113900000000, -0.0002363200000000 ] - [ 0.0021968400000000, 0.0004866100000000, -0.0002253800000000 ] - [ -0.0002586000000000, -0.0001332400000000, -0.0002368300000000 ] - [ -0.0002951900000000, 0.0008560500000000, -0.0000853400000000 ] - [ 0.0000675100000000, -0.0003740500000000, 0.0002602900000000 ] - [ 0.0009996200000000, 0.0006543000000000, -0.0000194100000000 ] - [ 0.0000220200000000, -0.0007884700000000, -0.0008118500000000 ] - [ -0.0000520200000000, 0.0015235300000000, -0.0006977300000000 ] - [ 0.0000010200000000, -0.0000683200000000, 0.0000880000000000 ] - [ 0.0000964600000000, 0.0008478700000000, -0.0002931600000000 ] - [ 0.0001967300000000, -0.0007371200000000, -0.0002953600000000 ] - [ 0.0002887300000000, -0.0015487700000000, 0.0010357300000000 ] - [ -0.0013802100000000, 0.0008119100000000, -0.0019616400000000 ] - [ 0.0004125200000000, 0.0003005300000000, -0.0000567000000000 ] - [ -0.0000631200000000, -0.0014130900000000, 0.0000033600000000 ] - [ -0.0000557400000000, -0.0000843800000000, -0.0000023100000000 ] - [ 0.0001069000000000, -0.0001015400000000, 0.0000023200000000 ] - [ -0.0003618000000000, 0.0010297400000000, -0.0005184500000000 ] - [ 0.0003292900000000, -0.0009216200000000, -0.0000186300000000 ] - [ -0.0001588000000000, -0.0002056700000000, 0.0003773100000000 ] - [ -0.0005884800000000, -0.0004355800000000, -0.0001335900000000 ] - [ 0.0009807200000000, 0.0004587700000000, -0.0002632300000000 ] - [ -0.0002468500000000, -0.0008041700000000, -0.0001168200000000 ] - [ 0.0012860400000000, 0.0003312000000000, 0.0003753200000000 ] - [ -0.0001743900000000, -0.0007286900000000, 0.0000432000000000 ] - [ 0.0000874700000000, 0.0011548500000000, -0.0002630500000000 ] - [ 0.0000020400000000, -0.0009401900000000, -0.0001237800000000 ] - [ 0.0006519800000000, 0.0016108700000000, 0.0012261600000000 ] - [ -0.0000284900000000, 0.0000479600000000, -0.0001587500000000 ] - [ -0.0009573900000000, -0.0002718700000000, -0.0001644100000000 ] - [ 0.0008382300000000, -0.0003264700000000, -0.0000914800000000 ] - [ 0.0000834600000000, 0.0009169600000000, 0.0003072000000000 ] - [ -0.0004010100000000, -0.0009221800000000, 0.0001039200000000 ] - [ -0.0009237300000000, 0.0015453100000000, -0.0000035000000000 ] - [ 0.0004349600000000, -0.0021309200000000, -0.0002737300000000 ] - [ -0.0008236300000000, 0.0020512900000000, -0.0001428600000000 ] - [ 0.0003666000000000, -0.0012460600000000, 0.0006461100000000 ] - [ -0.0012176100000000, -0.0004440900000000, -0.0000939600000000 ] - [ 0.0015448500000000, 0.0003565800000000, 0.0003490600000000 ] - [ -0.0004355400000000, -0.0004076800000000, -0.0007168800000000 ] - [ 0.0007246400000000, 0.0007344100000000, 0.0015044200000000 ] - [ 0.0095186900000000, 0.0037934300000000, 0.0003704400000000 ] - [ -0.0014673800000000, -0.0014999600000000, 0.0000859900000000 ] - [ -0.0072049600000000, -0.0015171700000000, 0.0043022000000000 ] - [ 0.0019166500000000, -0.0022424600000000, -0.0001729800000000 ] - [ -0.0001379800000000, 0.0037420900000000, 0.0008703300000000 ] - [ 0.0001072800000000, -0.0029611000000000, -0.0005401900000000 ] - [ -0.0049881200000000, -0.0010078000000000, -0.0099978200000000 ] - [ 0.0005539200000000, -0.0036410100000000, 0.0022987600000000 ] - [ 0.0068305400000000, -0.0196401200000000, -0.0240472200000000 ] - [ 0.0002822500000000, -0.0031310200000000, 0.0010724700000000 ]- atom: 53 displacement: [ -0.0053126970990986, 0.0000000000000000, 0.0084720274747683 ] forces: - [ -0.0068459400000000, -0.0013909500000000, 0.0108397500000000 ] - [ 0.0000213900000000, -0.0008737300000000, 0.0035107500000000 ] - [ -0.0121980300000000, 0.0024736400000000, -0.0094925700000000 ] - [ -0.0004404200000000, -0.0011894000000000, 0.0003469200000000 ] - [ -0.0076721400000000, -0.0050337300000000, 0.0081368900000000 ] - [ -0.0002485500000000, -0.0011390700000000, -0.0000486600000000 ] - [ 0.0043339100000000, 0.0001241300000000, -0.0065572400000000 ] - [ 0.0011375200000000, -0.0002970600000000, -0.0005392900000000 ] - [ -0.0016188500000000, -0.0008919600000000, 0.0040004600000000 ] - [ -0.0019238400000000, 0.0005782500000000, 0.0008571000000000 ] - [ 0.0022201800000000, -0.0027899100000000, -0.0008949800000000 ] - [ 0.0012815900000000, 0.0029613500000000, -0.0005137100000000 ] - [ 0.0008120700000000, 0.0025117800000000, -0.0028360500000000 ] - [ 0.0014533900000000, -0.0053617100000000, -0.0043595800000000 ] - [ 0.0035384500000000, 0.0010098600000000, -0.0033101500000000 ] - [ -0.0005309100000000, -0.0004603800000000, -0.0008783200000000 ] - [ 0.0019828200000000, 0.0003822600000000, -0.0002840600000000 ] - [ 0.0008422600000000, -0.0001659100000000, 0.0000477200000000 ] - [ 0.0004193700000000, -0.0011173700000000, -0.0007314200000000 ] - [ 0.0003683200000000, -0.0005568400000000, -0.0005231200000000 ] - [ 0.0003463300000000, 0.0000792200000000, 0.0000925900000000 ] - [ 0.0003797800000000, -0.0012119700000000, 0.0000619500000000 ] - [ 0.0002039800000000, 0.0000401900000000, 0.0003628300000000 ] - [ 0.0002192500000000, -0.0000352200000000, 0.0008926600000000 ] - [ 0.0036171600000000, 0.0000111100000000, -0.0035965800000000 ] - [ -0.0003063600000000, -0.0000003900000000, -0.0004140500000000 ] - [ 0.0004256700000000, 0.0021390800000000, 0.0046153600000000 ] - [ -0.0002316400000000, 0.0001961800000000, 0.0005540500000000 ] - [ -0.0003344700000000, 0.0012268200000000, -0.0008083800000000 ] - [ -0.0000276600000000, 0.0003563000000000, -0.0002373400000000 ] - [ -0.0013951800000000, -0.0017645700000000, -0.0003956600000000 ] - [ -0.0021666900000000, 0.0010347700000000, -0.0003826200000000 ] - [ -0.0071296400000000, -0.0017380700000000, -0.0048311000000000 ] - [ 0.0000240900000000, -0.0001808900000000, 0.0005436200000000 ] - [ 0.0002449200000000, -0.0008397200000000, -0.0015802100000000 ] - [ 0.0002637800000000, 0.0012550200000000, -0.0042052100000000 ] - [ 0.0013276900000000, 0.0004691000000000, 0.0036808800000000 ] - [ 0.0000409600000000, -0.0003120600000000, 0.0013830700000000 ] - [ 0.0010482200000000, 0.0001111600000000, -0.0007193800000000 ] - [ 0.0005655100000000, 0.0000571200000000, -0.0008016400000000 ] - [ 0.0003566400000000, -0.0005913800000000, -0.0000145200000000 ] - [ -0.0003139800000000, -0.0005339900000000, -0.0017775400000000 ] - [ -0.0017443800000000, 0.0001886500000000, 0.0003475000000000 ] - [ -0.0003000800000000, -0.0002979100000000, -0.0004243800000000 ] - [ 0.0031917200000000, 0.0008677000000000, -0.0001097600000000 ] - [ 0.0012191800000000, -0.0007110500000000, 0.0004941600000000 ] - [ -0.0487316400000000, 0.0427113100000000, 0.0266078500000000 ] - [ -0.0003753700000000, -0.0000433700000000, 0.0002172000000000 ] - [ 0.0009740100000000, 0.0003571100000000, 0.0016331700000000 ] - [ -0.0000312500000000, -0.0000187800000000, 0.0004588600000000 ] - [ -0.0001362600000000, -0.0005787500000000, -0.0003109500000000 ] - [ 0.0057904300000000, -0.0068482700000000, -0.0044067300000000 ] - [ 0.0905160500000000, -0.0619486400000000, -0.0553959800000000 ] - [ 0.0000666300000000, 0.0001564400000000, -0.0003507200000000 ] - [ 0.0001984300000000, 0.0002014800000000, 0.0003221500000000 ] - [ 0.0004757700000000, -0.0006108700000000, 0.0006598500000000 ] - [ -0.0011713700000000, 0.0016542100000000, 0.0108499000000000 ] - [ -0.0003838500000000, -0.0001008300000000, 0.0002976000000000 ] - [ 0.0044763300000000, -0.0069136900000000, 0.0010204300000000 ] - [ 0.0014723400000000, 0.0016802400000000, -0.0006928800000000 ] - [ -0.0056845800000000, 0.0100612600000000, -0.0016764200000000 ] - [ 0.0005646100000000, -0.0006248100000000, -0.0004340800000000 ] - [ 0.0002370500000000, 0.0007016500000000, 0.0001721000000000 ] - [ -0.0005442900000000, -0.0039486100000000, 0.0029570300000000 ] - [ -0.0007479100000000, 0.0003552400000000, 0.0025201400000000 ] - [ -0.0000852600000000, 0.0010371600000000, 0.0006438900000000 ] - [ -0.0002498400000000, 0.0002617500000000, -0.0051122000000000 ] - [ 0.0005856700000000, 0.0003825500000000, -0.0004422400000000 ] - [ -0.0008389800000000, 0.0006410500000000, 0.0015427500000000 ] - [ -0.0013303700000000, -0.0007853500000000, 0.0014795300000000 ] - [ 0.0001003800000000, -0.0006050400000000, -0.0004979100000000 ] - [ 0.0003281000000000, -0.0012835600000000, -0.0013638300000000 ] - [ -0.0026576800000000, -0.0037775300000000, -0.0023999700000000 ] - [ -0.0002964100000000, 0.0011736500000000, -0.0002298300000000 ] - [ -0.0089339500000000, 0.0067622500000000, 0.0080951700000000 ] - [ -0.0002887700000000, 0.0000853200000000, 0.0002803100000000 ] - [ -0.0030754900000000, -0.0013470800000000, 0.0048997800000000 ] - [ -0.0002911500000000, 0.0014261700000000, 0.0005886200000000 ] - [ -0.0005647300000000, 0.0003595200000000, -0.0008727500000000 ] - [ -0.0001770000000000, -0.0002758000000000, -0.0004011700000000 ] - [ -0.0012343100000000, 0.0001876900000000, -0.0001233700000000 ] - [ -0.0004479000000000, 0.0003322700000000, 0.0000187800000000 ] - [ -0.0011034000000000, 0.0003683300000000, 0.0010247600000000 ] - [ -0.0003225500000000, 0.0005226300000000, 0.0011360100000000 ] - [ -0.0007491200000000, 0.0000816700000000, 0.0008621000000000 ] - [ -0.0002187400000000, 0.0009231900000000, 0.0001316100000000 ] - [ -0.0001146700000000, 0.0000184100000000, -0.0001065600000000 ] - [ -0.0000704600000000, 0.0000893700000000, -0.0002576100000000 ] - [ 0.0000644600000000, -0.0000547700000000, 0.0009050700000000 ] - [ 0.0005312600000000, 0.0013088400000000, 0.0033644600000000 ] - [ -0.0004045400000000, -0.0010070700000000, 0.0003097300000000 ] - [ 0.0000016300000000, -0.0006340600000000, 0.0003320500000000 ] - [ -0.0005944300000000, 0.0002230300000000, 0.0002035400000000 ] - [ -0.0005598000000000, 0.0001394300000000, 0.0002280800000000 ] - [ 0.0025747700000000, -0.0016632300000000, 0.0027935200000000 ] - [ 0.0004844200000000, -0.0001174800000000, -0.0000132300000000 ] - [ -0.0004486000000000, -0.0002757900000000, 0.0001240200000000 ] - [ 0.0001351200000000, -0.0000124900000000, 0.0003850900000000 ] - [ -0.0012822200000000, -0.0002405500000000, 0.0004690500000000 ] - [ -0.0002123500000000, -0.0000151600000000, 0.0000733400000000 ] - [ -0.0018693000000000, -0.0000946300000000, -0.0002841100000000 ] - [ -0.0001280300000000, -0.0001573200000000, 0.0000654700000000 ] - [ 0.0002711800000000, -0.0006756200000000, -0.0004959700000000 ] - [ 0.0001316100000000, 0.0001874900000000, -0.0004525200000000 ] - [ 0.0002322700000000, 0.0005021500000000, -0.0007777500000000 ] - [ 0.0001864200000000, 0.0006634300000000, -0.0000795800000000 ] - [ -0.0006900000000000, -0.0003802300000000, 0.0002756100000000 ] - [ -0.0005466200000000, 0.0005188000000000, 0.0003639200000000 ] - [ 0.0004198100000000, 0.0000457200000000, -0.0004657200000000 ] - [ 0.0000006400000000, 0.0001422100000000, -0.0000530100000000 ] - [ -0.0006044300000000, -0.0008547300000000, 0.0017042200000000 ] - [ -0.0003722200000000, -0.0002727100000000, 0.0003051600000000 ] - [ -0.0008088500000000, -0.0009137300000000, -0.0000078100000000 ] - [ -0.0002805200000000, 0.0003786200000000, -0.0000046500000000 ] - [ 0.0005623600000000, 0.0002654300000000, -0.0003369100000000 ] - [ 0.0004045100000000, 0.0005202900000000, -0.0010006300000000 ] - [ 0.0002648700000000, 0.0003706300000000, 0.0002756200000000 ] - [ 0.0002453900000000, -0.0001133000000000, 0.0002947600000000 ] - [ -0.0107691500000000, 0.0038041100000000, -0.0038828100000000 ] - [ 0.0003151200000000, 0.0002585900000000, -0.0003400900000000 ] - [ -0.0019473500000000, -0.0033853300000000, 0.0007800000000000 ] - [ -0.0014090000000000, 0.0017597100000000, -0.0006822100000000 ] - [ 0.0025200200000000, -0.0009680200000000, -0.0000754600000000 ] - [ 0.0003577900000000, 0.0003241300000000, -0.0001322200000000 ] - [ 0.0035473100000000, 0.0043747100000000, 0.0010939000000000 ] - [ -0.0000895800000000, 0.0002126200000000, -0.0002459100000000 ] - [ -0.0018600400000000, 0.0247939200000000, 0.0128590700000000 ] - [ 0.0002401900000000, -0.0003670500000000, -0.0007202300000000 ]- atom: 53 displacement: [ 0.0053126970990986, 0.0000000000000000, -0.0084720274747683 ] forces: - [ 0.0080704700000000, 0.0015653100000000, -0.0105155700000000 ] - [ 0.0011824800000000, 0.0009373300000000, -0.0031189600000000 ] - [ 0.0121698000000000, -0.0035083400000000, 0.0101483600000000 ] - [ 0.0004128700000000, 0.0000941800000000, 0.0000324000000000 ] - [ 0.0091674000000000, 0.0041993000000000, -0.0092678700000000 ] - [ 0.0002933900000000, 0.0000470800000000, -0.0003166200000000 ] - [ -0.0031596900000000, -0.0001470900000000, 0.0069630100000000 ] - [ 0.0000394700000000, 0.0002755500000000, 0.0009068100000000 ] - [ 0.0004589400000000, 0.0009134000000000, -0.0043807900000000 ] - [ 0.0007540100000000, -0.0005652900000000, -0.0012283400000000 ] - [ -0.0022478500000000, 0.0039113600000000, 0.0012540400000000 ] - [ -0.0013170800000000, -0.0018983100000000, 0.0008854700000000 ] - [ -0.0007980000000000, -0.0014027600000000, 0.0024899100000000 ] - [ -0.0014158000000000, 0.0064598400000000, 0.0040091400000000 ] - [ -0.0047513000000000, -0.0010449900000000, 0.0029461900000000 ] - [ -0.0006484600000000, 0.0004356500000000, 0.0005140100000000 ] - [ -0.0008194700000000, -0.0003690600000000, 0.0006537800000000 ] - [ 0.0003263300000000, 0.0001951200000000, 0.0003180200000000 ] - [ -0.0004531200000000, 0.0000316200000000, 0.0010994700000000 ] - [ -0.0004030100000000, -0.0005402600000000, 0.0008933800000000 ] - [ -0.0003215900000000, -0.0011705900000000, -0.0004599500000000 ] - [ -0.0003570300000000, 0.0001202700000000, -0.0004304000000000 ] - [ 0.0009693600000000, -0.0000705200000000, -0.0000018600000000 ] - [ 0.0009510300000000, 0.0000074200000000, -0.0005375700000000 ] - [ -0.0048114400000000, 0.0000046400000000, 0.0032563300000000 ] - [ -0.0008729500000000, 0.0000356300000000, 0.0000542700000000 ] - [ -0.0004749000000000, -0.0010561000000000, -0.0042685600000000 ] - [ 0.0001921700000000, 0.0008939700000000, -0.0001898900000000 ] - [ 0.0003646500000000, -0.0001429800000000, 0.0004364000000000 ] - [ 0.0000533100000000, 0.0007418600000000, -0.0001296300000000 ] - [ 0.0002126400000000, 0.0017349300000000, 0.0000064400000000 ] - [ 0.0009661700000000, -0.0010639000000000, -0.0000418100000000 ] - [ 0.0072180400000000, 0.0015445700000000, 0.0060006900000000 ] - [ -0.0000169600000000, -0.0000391600000000, 0.0006475700000000 ] - [ -0.0002398200000000, 0.0006305200000000, 0.0003858200000000 ] - [ -0.0002389500000000, -0.0015006700000000, 0.0030335600000000 ] - [ -0.0013346900000000, -0.0002279200000000, -0.0025179400000000 ] - [ -0.0000503700000000, 0.0005415000000000, -0.0001886900000000 ] - [ -0.0010507100000000, 0.0001234100000000, -0.0004804400000000 ] - [ -0.0005677100000000, 0.0001684600000000, -0.0004002000000000 ] - [ -0.0003705000000000, 0.0003715200000000, 0.0012143800000000 ] - [ 0.0003001000000000, 0.0003018200000000, 0.0029729600000000 ] - [ 0.0017248300000000, -0.0004096500000000, -0.0015420800000000 ] - [ 0.0003057300000000, 0.0000688400000000, -0.0007763100000000 ] - [ -0.0031959800000000, -0.0006457600000000, 0.0013229300000000 ] - [ -0.0012318300000000, 0.0009439100000000, 0.0007080400000000 ] - [ 0.0481905500000000, -0.0413817700000000, -0.0282143600000000 ] - [ 0.0003706300000000, 0.0002617600000000, -0.0013997200000000 ] - [ -0.0011199600000000, -0.0004245500000000, -0.0010395300000000 ] - [ -0.0000989300000000, -0.0000514600000000, 0.0001168800000000 ] - [ 0.0003450600000000, -0.0007213200000000, 0.0004824400000000 ] - [ -0.0056186100000000, 0.0053742800000000, 0.0046378300000000 ] - [ -0.0919697500000000, 0.0602640800000000, 0.0564813600000000 ] - [ -0.0003794900000000, -0.0001283100000000, 0.0004501700000000 ] - [ 0.0003128100000000, -0.0006131900000000, -0.0005766200000000 ] - [ 0.0000174400000000, 0.0002178200000000, -0.0009155500000000 ] - [ 0.0006078500000000, -0.0021138800000000, -0.0107439300000000 ] - [ -0.0002026500000000, -0.0003146000000000, -0.0000419700000000 ] - [ -0.0044704500000000, 0.0066152300000000, -0.0012690500000000 ] - [ -0.0014650600000000, -0.0019995100000000, 0.0005061600000000 ] - [ 0.0056871100000000, -0.0104794700000000, 0.0018873900000000 ] - [ -0.0005883300000000, 0.0003083500000000, 0.0006212100000000 ] - [ -0.0000939300000000, -0.0007767700000000, -0.0007244700000000 ] - [ 0.0006970000000000, 0.0039152700000000, -0.0035274300000000 ] - [ 0.0009312000000000, 0.0009925400000000, -0.0023932500000000 ] - [ 0.0002608800000000, 0.0002986100000000, -0.0005004200000000 ] - [ 0.0005242200000000, -0.0002238700000000, 0.0050084700000000 ] - [ -0.0002404200000000, -0.0003107800000000, 0.0003337800000000 ] - [ 0.0005217800000000, -0.0006890000000000, -0.0014426700000000 ] - [ 0.0010264400000000, 0.0007669900000000, -0.0013754800000000 ] - [ -0.0002646600000000, -0.0007700700000000, 0.0003183200000000 ] - [ -0.0005066400000000, -0.0000672500000000, 0.0012193400000000 ] - [ 0.0025306300000000, 0.0039068700000000, 0.0029931600000000 ] - [ 0.0001606600000000, -0.0011169400000000, 0.0008180000000000 ] - [ 0.0090302900000000, -0.0065332900000000, -0.0083694600000000 ] - [ 0.0002992900000000, 0.0002360800000000, -0.0004614500000000 ] - [ 0.0030749700000000, 0.0016577600000000, -0.0047133100000000 ] - [ 0.0002805600000000, -0.0011044800000000, -0.0004109500000000 ] - [ 0.0010958000000000, 0.0000434700000000, 0.0006302300000000 ] - [ 0.0007214700000000, 0.0006984900000000, 0.0001390100000000 ] - [ 0.0007212000000000, 0.0002169300000000, 0.0003870300000000 ] - [ -0.0001279000000000, 0.0000959800000000, 0.0002408400000000 ] - [ 0.0014377500000000, -0.0004317200000000, -0.0011411300000000 ] - [ 0.0006454100000000, -0.0005695000000000, -0.0012484600000000 ] - [ 0.0005814300000000, 0.0012782200000000, -0.0010248500000000 ] - [ 0.0000461900000000, 0.0004464900000000, -0.0002968600000000 ] - [ 0.0002572600000000, 0.0000509700000000, -0.0004617000000000 ] - [ 0.0002138000000000, -0.0000190900000000, -0.0003039900000000 ] - [ -0.0002076000000000, -0.0000129000000000, -0.0003425600000000 ] - [ -0.0006840200000000, -0.0013644000000000, -0.0028007100000000 ] - [ 0.0005886400000000, -0.0003500200000000, -0.0001308000000000 ] - [ 0.0001748800000000, -0.0007233200000000, -0.0001662300000000 ] - [ 0.0002677700000000, -0.0001692300000000, -0.0000912600000000 ] - [ 0.0002346100000000, -0.0000859300000000, -0.0001145900000000 ] - [ -0.0020291600000000, 0.0012376500000000, -0.0030357700000000 ] - [ 0.0000533200000000, -0.0002954300000000, -0.0002443100000000 ] - [ -0.0000930000000000, -0.0001427800000000, 0.0001351700000000 ] - [ -0.0006589700000000, -0.0003917800000000, -0.0001297200000000 ] - [ 0.0013012600000000, -0.0000769300000000, -0.0006524300000000 ] - [ 0.0002252900000000, -0.0003038400000000, -0.0002489500000000 ] - [ 0.0018691600000000, -0.0002220900000000, 0.0004696900000000 ] - [ 0.0001210900000000, -0.0001671300000000, 0.0001187500000000 ] - [ -0.0001120900000000, 0.0005943200000000, -0.0000399300000000 ] - [ 0.0000137300000000, -0.0002577300000000, -0.0001085500000000 ] - [ -0.0000452100000000, 0.0008375400000000, 0.0009267400000000 ] - [ -0.0000090700000000, 0.0006963300000000, 0.0002458200000000 ] - [ 0.0010071100000000, 0.0004194200000000, -0.0003868800000000 ] - [ 0.0008602800000000, -0.0004811400000000, -0.0004861800000000 ] - [ -0.0007237600000000, -0.0000741900000000, 0.0005787800000000 ] - [ -0.0003194200000000, -0.0001916100000000, 0.0001642200000000 ] - [ 0.0004200500000000, -0.0004878900000000, -0.0018667500000000 ] - [ 0.0001948500000000, -0.0010817400000000, -0.0004697400000000 ] - [ 0.0006644200000000, 0.0009935600000000, 0.0005585300000000 ] - [ 0.0001363000000000, -0.0003067900000000, 0.0005646900000000 ] - [ -0.0005470000000000, 0.0000581200000000, 0.0001554000000000 ] - [ -0.0003848500000000, -0.0001951500000000, 0.0008236100000000 ] - [ -0.0002729400000000, -0.0000485100000000, -0.0000898700000000 ] - [ -0.0002481300000000, 0.0004381200000000, -0.0001051200000000 ] - [ 0.0113219200000000, -0.0033647600000000, 0.0035660500000000 ] - [ 0.0002022600000000, 0.0001489700000000, 0.0000751100000000 ] - [ 0.0014298200000000, 0.0037659800000000, -0.0005257000000000 ] - [ 0.0008746000000000, -0.0013538000000000, 0.0009357000000000 ] - [ -0.0021946700000000, 0.0009106500000000, -0.0000249200000000 ] - [ -0.0000131400000000, -0.0003893300000000, 0.0000225100000000 ] - [ -0.0037251000000000, -0.0029964400000000, -0.0012060000000000 ] - [ -0.0000748900000000, 0.0011408300000000, 0.0000812800000000 ] - [ 0.0020392100000000, -0.0244578300000000, -0.0133644200000000 ] - [ -0.0000844000000000, 0.0004501700000000, 0.0001743900000000 ]- atom: 55 displacement: [ 0.0099999699248486, 0.0000000000000000, 0.0000245255402261 ] forces: - [ 0.0033967700000000, 0.0003753300000000, 0.0033499800000000 ] - [ 0.0013883400000000, 0.0003661500000000, 0.0008416000000000 ] - [ -0.0013816300000000, -0.0012584800000000, 0.0007455200000000 ] - [ -0.0017242800000000, -0.0000759000000000, 0.0005228700000000 ] - [ 0.0011048000000000, -0.0014015400000000, -0.0009243000000000 ] - [ 0.0022156700000000, 0.0051130500000000, -0.0048504700000000 ] - [ 0.0028829000000000, -0.0092995600000000, 0.0011253400000000 ] - [ -0.0001269000000000, 0.0090680900000000, -0.0020255100000000 ] - [ -0.0028145000000000, 0.0000608400000000, -0.0020180200000000 ] - [ -0.0016140900000000, 0.0003992500000000, -0.0010432200000000 ] - [ -0.0045247100000000, -0.0046641000000000, -0.0083129200000000 ] - [ -0.0004135000000000, 0.0014951400000000, -0.0006709800000000 ] - [ -0.0078093800000000, -0.0000404700000000, 0.0051984900000000 ] - [ -0.0005680900000000, 0.0013062600000000, 0.0003111000000000 ] - [ -0.0034356100000000, -0.0012851300000000, -0.0016571200000000 ] - [ -0.0033047700000000, 0.0003629100000000, -0.0010511800000000 ] - [ 0.0003530200000000, 0.0009305500000000, -0.0009356900000000 ] - [ -0.0009988100000000, -0.0015875400000000, -0.0020816100000000 ] - [ 0.0191999900000000, -0.0002852100000000, 0.0061451900000000 ] - [ 0.0011330800000000, -0.0005509100000000, 0.0000156200000000 ] - [ -0.0016690100000000, 0.0010525800000000, 0.0025712600000000 ] - [ -0.0000667600000000, -0.0006081400000000, 0.0001817700000000 ] - [ -0.0076419700000000, 0.0006881600000000, -0.0009786100000000 ] - [ -0.0002227800000000, 0.0002529800000000, 0.0000842900000000 ] - [ 0.0010019700000000, -0.0002292600000000, 0.0007258700000000 ] - [ 0.0077291000000000, 0.0004104100000000, 0.0078212000000000 ] - [ -0.0006570700000000, 0.0015143100000000, 0.0013883000000000 ] - [ -0.0013592800000000, -0.0027009600000000, 0.0031293700000000 ] - [ -0.0015211900000000, 0.0041594500000000, -0.0013379600000000 ] - [ -0.0010911100000000, -0.0056256800000000, -0.0029454900000000 ] - [ 0.0223216200000000, 0.0017493200000000, -0.0162057200000000 ] - [ 0.0003122000000000, 0.0007185600000000, 0.0003455700000000 ] - [ 0.0056444800000000, 0.0054453000000000, 0.0042170000000000 ] - [ 0.0057687500000000, -0.0034295800000000, 0.0012497900000000 ] - [ 0.2006966100000000, -0.0447286700000000, 0.0143470400000000 ] - [ 0.0016212300000000, 0.0001529700000000, -0.0007888900000000 ] - [ -0.0014435400000000, 0.0002255600000000, -0.0001019100000000 ] - [ -0.0025635800000000, 0.0003069400000000, -0.0025012400000000 ] - [ -0.0035010900000000, 0.0006234000000000, -0.0042924900000000 ] - [ -0.0008384500000000, -0.0001454500000000, -0.0015012500000000 ] - [ -0.0040494600000000, 0.0002764000000000, -0.0008483500000000 ] - [ -0.0009661900000000, 0.0000758900000000, 0.0001563200000000 ] - [ -0.0018278500000000, 0.0008289000000000, -0.0008868700000000 ] - [ -0.0021115700000000, -0.0014268300000000, -0.0009563500000000 ] - [ 0.0012600500000000, -0.0008605100000000, 0.0048133600000000 ] - [ 0.0002617100000000, 0.0011361700000000, 0.0026479800000000 ] - [ 0.0005063300000000, 0.0003558000000000, 0.0003365300000000 ] - [ 0.0003612000000000, -0.0011865300000000, 0.0033976800000000 ] - [ 0.0032553400000000, -0.0147914700000000, 0.0018847800000000 ] - [ -0.0013874000000000, 0.0014521000000000, 0.0004135000000000 ] - [ -0.0036693400000000, 0.0004006400000000, -0.0047931800000000 ] - [ -0.0003675900000000, -0.0007980600000000, -0.0004842900000000 ] - [ -0.0008040500000000, -0.0002137600000000, -0.0004467900000000 ] - [ -0.0010258700000000, 0.0001768600000000, -0.0002344000000000 ] - [ -0.3121330000000000, 0.0623614000000000, -0.0119397500000000 ] - [ -0.0009953600000000, -0.0001707200000000, -0.0001978500000000 ] - [ -0.0041104600000000, 0.0001197300000000, 0.0004501800000000 ] - [ -0.0041487400000000, -0.0016588000000000, 0.0004963500000000 ] - [ 0.0016117100000000, 0.0007886200000000, -0.0016146800000000 ] - [ 0.0004065800000000, -0.0003820300000000, -0.0004032100000000 ] - [ -0.0011876700000000, 0.0009257000000000, 0.0019321600000000 ] - [ -0.0001804000000000, -0.0011666000000000, 0.0007184500000000 ] - [ 0.0108252600000000, -0.0063381600000000, 0.0114741600000000 ] - [ -0.0003121100000000, -0.0000436700000000, -0.0000824500000000 ] - [ -0.0008325200000000, 0.0016335000000000, -0.0007418000000000 ] - [ 0.0105456800000000, -0.0149426000000000, -0.0100068500000000 ] - [ 0.0008636800000000, 0.0001224400000000, 0.0002158800000000 ] - [ 0.0008020100000000, -0.0002575500000000, 0.0008359800000000 ] - [ 0.0191892900000000, 0.0093181500000000, -0.0010238600000000 ] - [ -0.0002539300000000, -0.0017046700000000, 0.0000461800000000 ] - [ 0.0015569700000000, -0.0003423800000000, 0.0023199400000000 ] - [ 0.0004175800000000, -0.0007935800000000, 0.0003330400000000 ] - [ 0.0003166600000000, -0.0000269400000000, 0.0008761300000000 ] - [ 0.0014822900000000, -0.0005151700000000, 0.0044398100000000 ] - [ 0.0005539000000000, 0.0023460100000000, 0.0013130600000000 ] - [ 0.0013965100000000, -0.0018927000000000, 0.0007531300000000 ] - [ 0.0024894900000000, 0.0024461300000000, -0.0004439500000000 ] - [ 0.0020483900000000, -0.0009710500000000, -0.0000184800000000 ] - [ 0.0028704300000000, 0.0008369800000000, 0.0019767000000000 ] - [ 0.0009878400000000, 0.0002368600000000, 0.0003657000000000 ] - [ 0.0010572800000000, -0.0005382300000000, 0.0011209600000000 ] - [ 0.0015910300000000, 0.0005212800000000, 0.0017843300000000 ] - [ 0.0035577800000000, 0.0000227600000000, 0.0009274700000000 ] - [ 0.0007594100000000, -0.0004223000000000, 0.0001703500000000 ] - [ 0.0005084200000000, 0.0007506400000000, 0.0005353900000000 ] - [ 0.0016099800000000, 0.0007629700000000, 0.0011998600000000 ] - [ 0.0031059900000000, -0.0045504400000000, 0.0021506600000000 ] - [ 0.0002244600000000, 0.0009722300000000, 0.0005491200000000 ] - [ 0.0017473000000000, -0.0006134700000000, 0.0007846100000000 ] - [ 0.0004120800000000, 0.0000603900000000, 0.0005240900000000 ] - [ 0.0010202400000000, -0.0011730700000000, 0.0017948100000000 ] - [ 0.0007223200000000, -0.0004255800000000, 0.0009447500000000 ] - [ 0.0009243800000000, 0.0006393800000000, 0.0034005800000000 ] - [ -0.0000755900000000, -0.0000426000000000, 0.0003401900000000 ] - [ 0.0018964800000000, -0.0004246800000000, 0.0000254200000000 ] - [ 0.0019002000000000, -0.0002699400000000, 0.0000985200000000 ] - [ 0.0034464500000000, -0.0001603000000000, -0.0000504000000000 ] - [ 0.0004050400000000, -0.0001324000000000, 0.0001980300000000 ] - [ -0.0010672100000000, -0.0010387000000000, 0.0005980400000000 ] - [ -0.0022969000000000, 0.0039291200000000, 0.0041201300000000 ] - [ -0.0000777700000000, -0.0004325600000000, -0.0002372400000000 ] - [ -0.0001641400000000, 0.0006304400000000, -0.0019136800000000 ] - [ 0.0006836800000000, -0.0009405300000000, -0.0002838900000000 ] - [ 0.0006245100000000, 0.0007739900000000, -0.0004274100000000 ] - [ 0.0016849800000000, -0.0003162300000000, 0.0009097600000000 ] - [ 0.0006894600000000, 0.0010599500000000, 0.0006506300000000 ] - [ -0.0034867900000000, 0.0011216300000000, -0.0032869700000000 ] - [ -0.0004843300000000, -0.0004272800000000, -0.0005018800000000 ] - [ 0.0005598000000000, -0.0005137200000000, -0.0000624500000000 ] - [ 0.0015841700000000, 0.0019039100000000, 0.0001219400000000 ] - [ -0.0015506400000000, 0.0006431300000000, -0.0023604600000000 ] - [ -0.0014612200000000, -0.0028936500000000, -0.0020902600000000 ] - [ -0.0004570500000000, -0.0002306800000000, -0.0013621400000000 ] - [ -0.0003154900000000, 0.0004471800000000, -0.0009920400000000 ] - [ 0.0143834300000000, 0.0016434600000000, -0.0023870400000000 ] - [ 0.0001515400000000, -0.0001099900000000, -0.0002802500000000 ] - [ 0.0195749500000000, 0.0031650400000000, 0.0061755300000000 ] - [ -0.0000372000000000, -0.0005814500000000, -0.0000220500000000 ] - [ -0.0000729700000000, 0.0000043200000000, -0.0008489500000000 ] - [ -0.0001321000000000, 0.0003495600000000, -0.0025823200000000 ] - [ -0.0004527500000000, 0.0008483300000000, -0.0024188100000000 ] - [ -0.0002583600000000, -0.0000296100000000, -0.0004169600000000 ] - [ 0.0003715500000000, -0.0021605700000000, -0.0012565500000000 ] - [ 0.0005155500000000, 0.0068208700000000, -0.0018314800000000 ] - [ -0.0022055500000000, -0.0038750500000000, -0.0045726300000000 ] - [ -0.0011752600000000, 0.0013150500000000, -0.0008900000000000 ] - [ 0.0000049100000000, -0.0000407600000000, -0.0007837200000000 ] - [ 0.0009301800000000, -0.0002572600000000, -0.0024320600000000 ]- atom: 55 displacement: [ -0.0099999699248486, 0.0000000000000000, -0.0000245255402261 ] forces: - [ -0.0021883400000000, -0.0003382000000000, -0.0029563900000000 ] - [ -0.0001852700000000, -0.0003253800000000, -0.0004563300000000 ] - [ 0.0013427200000000, 0.0001495200000000, -0.0003753900000000 ] - [ 0.0016896000000000, -0.0010183200000000, -0.0001481600000000 ] - [ -0.0010592600000000, 0.0003037600000000, 0.0005568300000000 ] - [ -0.0021690700000000, -0.0062008200000000, 0.0044913200000000 ] - [ -0.0016380500000000, 0.0092162200000000, -0.0007372600000000 ] - [ 0.0013381200000000, -0.0091000200000000, 0.0023919500000000 ] - [ 0.0016087000000000, -0.0000248800000000, 0.0016389600000000 ] - [ 0.0004127300000000, -0.0003599100000000, 0.0006624000000000 ] - [ 0.0044856600000000, 0.0057624700000000, 0.0086444700000000 ] - [ 0.0003781200000000, -0.0004030500000000, 0.0010424900000000 ] - [ 0.0078152500000000, 0.0011432500000000, -0.0055368600000000 ] - [ 0.0006042000000000, -0.0002038900000000, -0.0006778800000000 ] - [ 0.0022264600000000, 0.0012411700000000, 0.0012672500000000 ] - [ 0.0021062000000000, -0.0003962800000000, 0.0006681000000000 ] - [ 0.0008442100000000, -0.0008870100000000, 0.0013157700000000 ] - [ 0.0021880000000000, 0.0016259700000000, 0.0024361600000000 ] - [ -0.0195804100000000, -0.0005656300000000, -0.0064552600000000 ] - [ -0.0011659900000000, -0.0005502800000000, 0.0003526600000000 ] - [ 0.0017155600000000, -0.0021655500000000, -0.0029704700000000 ] - [ 0.0000955400000000, -0.0004859100000000, -0.0005518000000000 ] - [ 0.0088581800000000, -0.0007306400000000, 0.0013672800000000 ] - [ 0.0014099100000000, -0.0002875300000000, 0.0002891700000000 ] - [ -0.0021991800000000, 0.0002788400000000, -0.0011059700000000 ] - [ -0.0088772400000000, -0.0004101400000000, -0.0082348900000000 ] - [ 0.0006156700000000, -0.0004138100000000, -0.0010195000000000 ] - [ 0.0013278500000000, 0.0038112600000000, -0.0027640400000000 ] - [ 0.0015471100000000, -0.0030469900000000, 0.0009609900000000 ] - [ 0.0010942300000000, 0.0067254700000000, 0.0025981200000000 ] - [ -0.0248851700000000, -0.0019616300000000, 0.0172389200000000 ] - [ -0.0015065100000000, -0.0007482000000000, -0.0007313700000000 ] - [ -0.0056704200000000, -0.0056067000000000, -0.0029723900000000 ] - [ -0.0057874800000000, 0.0031885200000000, -0.0000369200000000 ] - [ -0.1884350300000000, 0.0410893500000000, -0.0143636100000000 ] - [ -0.0016204000000000, -0.0003754000000000, -0.0004213500000000 ] - [ 0.0014378200000000, -0.0000006900000000, 0.0013115500000000 ] - [ 0.0025653900000000, -0.0000807700000000, 0.0037070800000000 ] - [ 0.0034924100000000, -0.0004110500000000, 0.0030781500000000 ] - [ 0.0008366800000000, 0.0003691000000000, 0.0002874600000000 ] - [ 0.0040530600000000, -0.0004922000000000, 0.0020529000000000 ] - [ 0.0009629100000000, -0.0003016200000000, 0.0010435600000000 ] - [ 0.0018196900000000, -0.0010562500000000, -0.0003184800000000 ] - [ 0.0021063900000000, 0.0012109700000000, -0.0002509100000000 ] - [ -0.0012278400000000, 0.0010980300000000, -0.0036136900000000 ] - [ -0.0002622800000000, -0.0009120400000000, -0.0014415300000000 ] - [ -0.0005034100000000, -0.0001299600000000, -0.0015385200000000 ] - [ -0.0003628300000000, 0.0014148900000000, -0.0046056500000000 ] - [ -0.0033431100000000, 0.0147612500000000, -0.0014076900000000 ] - [ 0.0012902600000000, -0.0015192900000000, 0.0001743400000000 ] - [ 0.0038865600000000, -0.0017527400000000, 0.0049243000000000 ] - [ 0.0005167800000000, -0.0006128300000000, 0.0006886700000000 ] - [ 0.0004581500000000, 0.0002759500000000, 0.0005522700000000 ] - [ 0.0007323200000000, -0.0001739100000000, 0.0003280200000000 ] - [ 0.3016833400000000, -0.0592713100000000, 0.0098568100000000 ] - [ 0.0015253300000000, -0.0002323400000000, -0.0000622600000000 ] - [ 0.0035953300000000, -0.0005389100000000, -0.0001844000000000 ] - [ 0.0035383700000000, 0.0012474200000000, -0.0002474200000000 ] - [ -0.0016096200000000, -0.0010773300000000, 0.0014059100000000 ] - [ -0.0004122000000000, 0.0000790900000000, 0.0002061300000000 ] - [ 0.0011742500000000, -0.0012136000000000, -0.0017319600000000 ] - [ 0.0001848000000000, 0.0008618200000000, -0.0005252400000000 ] - [ -0.0105665100000000, 0.0061391600000000, -0.0118521800000000 ] - [ 0.0004467400000000, -0.0000386900000000, -0.0004575900000000 ] - [ 0.0009842400000000, -0.0002634100000000, 0.0009034200000000 ] - [ -0.0102542700000000, 0.0160619300000000, 0.0099912200000000 ] - [ -0.0005869500000000, -0.0001324200000000, -0.0003185500000000 ] - [ -0.0004450600000000, 0.0003336800000000, -0.0009404400000000 ] - [ -0.0191278300000000, -0.0091455600000000, 0.0011185200000000 ] - [ -0.0000612000000000, 0.0016792500000000, 0.0000610000000000 ] - [ -0.0017009200000000, -0.0010726900000000, -0.0025399600000000 ] - [ -0.0006107800000000, -0.0005445200000000, -0.0004449300000000 ] - [ -0.0004662100000000, 0.0001384000000000, -0.0003877600000000 ] - [ -0.0015734700000000, 0.0005659900000000, -0.0037943500000000 ] - [ -0.0005622200000000, -0.0020365100000000, -0.0014982900000000 ] - [ -0.0013938900000000, 0.0021809300000000, -0.0009457500000000 ] - [ -0.0024730300000000, -0.0021309900000000, 0.0006306300000000 ] - [ -0.0020450400000000, 0.0012670700000000, 0.0002151400000000 ] - [ -0.0023509200000000, -0.0004455000000000, -0.0022300500000000 ] - [ -0.0004208400000000, 0.0001963800000000, -0.0006514100000000 ] - [ -0.0015259800000000, 0.0009305900000000, -0.0008364200000000 ] - [ -0.0022129500000000, -0.0000750900000000, -0.0015189500000000 ] - [ -0.0032252000000000, -0.0000621500000000, -0.0010279300000000 ] - [ -0.0004051800000000, 0.0003436700000000, -0.0002806200000000 ] - [ -0.0006487900000000, 0.0006581200000000, -0.0007503900000000 ] - [ -0.0017748000000000, 0.0006066700000000, -0.0013607500000000 ] - [ -0.0029698200000000, 0.0046308700000000, -0.0026570800000000 ] - [ -0.0001006100000000, -0.0008969700000000, -0.0011239300000000 ] - [ -0.0018711600000000, 0.0005268600000000, -0.0002257900000000 ] - [ -0.0005077900000000, -0.0001062500000000, 0.0001107700000000 ] - [ -0.0008334000000000, -0.0001702700000000, -0.0016466500000000 ] - [ -0.0005592100000000, -0.0009614200000000, -0.0007714800000000 ] - [ -0.0012294200000000, -0.0006280000000000, -0.0033061500000000 ] - [ -0.0002482600000000, 0.0000881200000000, -0.0002392800000000 ] - [ -0.0013572700000000, 0.0000176100000000, -0.0002886800000000 ] - [ -0.0013832200000000, -0.0001368600000000, -0.0003587700000000 ] - [ -0.0040075800000000, -0.0002580900000000, 0.0003202700000000 ] - [ -0.0010197100000000, -0.0002966000000000, 0.0000585200000000 ] - [ 0.0010594700000000, 0.0007410500000000, -0.0007952000000000 ] - [ 0.0023495300000000, -0.0041968200000000, -0.0042618800000000 ] - [ 0.0000787800000000, 0.0001435000000000, 0.0004390500000000 ] - [ 0.0001694900000000, -0.0009365100000000, 0.0021212700000000 ] - [ -0.0005586500000000, 0.0008596600000000, -0.0002620000000000 ] - [ -0.0004881400000000, -0.0008646100000000, -0.0000869700000000 ] - [ -0.0015117900000000, 0.0016795600000000, -0.0007549800000000 ] - [ -0.0005176400000000, 0.0002808900000000, -0.0005086000000000 ] - [ 0.0037958800000000, -0.0010769200000000, 0.0032319000000000 ] - [ 0.0007668300000000, 0.0004249200000000, 0.0003951900000000 ] - [ -0.0008611500000000, 0.0004922200000000, 0.0001731300000000 ] - [ -0.0018828400000000, -0.0019287000000000, -0.0000293000000000 ] - [ 0.0013693500000000, -0.0020454300000000, 0.0021716200000000 ] - [ 0.0012701500000000, 0.0015502600000000, 0.0019532400000000 ] - [ 0.0003556300000000, 0.0002936700000000, 0.0019752500000000 ] - [ 0.0001695600000000, -0.0003474800000000, 0.0015076800000000 ] - [ -0.0144739800000000, -0.0013525500000000, 0.0021849000000000 ] - [ -0.0001466200000000, 0.0004103400000000, 0.0000883000000000 ] - [ -0.0198635000000000, -0.0029118500000000, -0.0061068500000000 ] - [ 0.0000494500000000, 0.0008750000000000, 0.0002171200000000 ] - [ 0.0006693300000000, 0.0004185100000000, 0.0005858800000000 ] - [ 0.0006330800000000, 0.0000615100000000, 0.0023034500000000 ] - [ -0.0001378300000000, -0.0004086300000000, 0.0026757700000000 ] - [ -0.0002429400000000, 0.0004242000000000, 0.0006910700000000 ] - [ -0.0000776800000000, 0.0021469000000000, 0.0011499700000000 ] - [ -0.0001593700000000, -0.0069112200000000, 0.0017065400000000 ] - [ 0.0020662100000000, 0.0052195700000000, 0.0044245800000000 ] - [ 0.0010265900000000, 0.0000669200000000, 0.0006931000000000 ] - [ 0.0000966100000000, 0.0001107400000000, 0.0001622300000000 ] - [ -0.0007900000000000, 0.0003466300000000, 0.0019027600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004369300000000, 0.0017438400000000, -0.0014970300000000 ] - [ 0.0006004500000000, -0.0011892800000000, 0.0005310300000000 ] - [ -0.0002340500000000, -0.0009794600000000, 0.0001709200000000 ] - [ 0.0006713500000000, -0.0004664900000000, 0.0002659200000000 ] - [ -0.0010873200000000, -0.0013669500000000, -0.0016553600000000 ] - [ 0.0006215100000000, -0.0020460500000000, 0.0024382200000000 ] - [ -0.0028117800000000, -0.0027644400000000, 0.0003318800000000 ] - [ 0.0029782400000000, -0.0049598200000000, 0.0012212000000000 ] - [ -0.0006691400000000, 0.0009603500000000, -0.0001939500000000 ] - [ -0.0002909800000000, -0.0008128200000000, 0.0000664000000000 ] - [ 0.0005749200000000, 0.0044542500000000, -0.0000675700000000 ] - [ 0.0000772300000000, -0.0009378600000000, 0.0003307400000000 ] - [ -0.0008066800000000, 0.0028557700000000, 0.0006319800000000 ] - [ 0.0002480100000000, -0.0007465600000000, -0.0002629800000000 ] - [ -0.0008987100000000, -0.0000926300000000, -0.0002379800000000 ] - [ 0.0002846800000000, -0.0002266800000000, 0.0000630000000000 ] - [ 0.0007352900000000, -0.0007498300000000, 0.0008674700000000 ] - [ -0.0000320400000000, 0.0009733500000000, -0.0008640100000000 ] - [ -0.0019299500000000, 0.0114007700000000, -0.0024484800000000 ] - [ -0.0002228700000000, -0.0025418800000000, -0.0000065900000000 ] - [ -0.0001863400000000, 0.0010021000000000, 0.0006543900000000 ] - [ -0.0000572400000000, -0.0016501700000000, -0.0003086100000000 ] - [ 0.0008924400000000, 0.0011840500000000, 0.0000831000000000 ] - [ 0.0010101500000000, -0.0010544700000000, 0.0002092800000000 ] - [ -0.0006754100000000, -0.0018369100000000, 0.0005460700000000 ] - [ -0.0017203400000000, 0.0006726300000000, -0.0063507400000000 ] - [ 0.0011351900000000, -0.0001645000000000, -0.0002862900000000 ] - [ -0.0014153100000000, 0.0005551300000000, 0.0005919500000000 ] - [ 0.0021081900000000, -0.0026602900000000, 0.0017230700000000 ] - [ -0.0030616500000000, -0.0001836700000000, -0.0010548100000000 ] - [ 0.0004587600000000, 0.0084465700000000, -0.0017221600000000 ] - [ -0.0010133100000000, -0.0025806400000000, -0.0005635900000000 ] - [ 0.0018963400000000, -0.0075976100000000, -0.0056885200000000 ] - [ -0.0018159800000000, -0.0045558800000000, 0.0013919900000000 ] - [ -0.0437265400000000, 0.0315189400000000, -0.0051131800000000 ] - [ -0.0003821400000000, -0.0020796300000000, -0.0006023800000000 ] - [ 0.0005595400000000, -0.0004597800000000, 0.0005740400000000 ] - [ 0.0000718200000000, 0.0003884700000000, 0.0012682100000000 ] - [ 0.0009679200000000, 0.0005999900000000, 0.0006482200000000 ] - [ 0.0001086200000000, -0.0006386500000000, -0.0007432100000000 ] - [ 0.0001607800000000, 0.0009534900000000, 0.0007618200000000 ] - [ 0.0001773800000000, -0.0008537100000000, 0.0006750500000000 ] - [ 0.0004725000000000, 0.0001722200000000, -0.0004994400000000 ] - [ -0.0000169100000000, -0.0005144200000000, -0.0006756000000000 ] - [ -0.0011552700000000, 0.0016662300000000, 0.0026146200000000 ] - [ -0.0000350600000000, -0.0015244800000000, -0.0001552400000000 ] - [ -0.0003120000000000, -0.0008990000000000, -0.0009970100000000 ] - [ 0.0003876900000000, 0.0005475100000000, -0.0004612200000000 ] - [ -0.0114973500000000, 0.0144491700000000, -0.0021378600000000 ] - [ 0.0004306000000000, 0.0013711800000000, 0.0008578700000000 ] - [ 0.0005547600000000, -0.0023745000000000, -0.0009619600000000 ] - [ 0.0002607600000000, 0.0002752100000000, 0.0002852000000000 ] - [ -0.0000576000000000, 0.0002603500000000, 0.0005980300000000 ] - [ -0.0000291100000000, 0.0001719300000000, -0.0003625100000000 ] - [ 0.0610791300000000, -0.0527928500000000, 0.0140224900000000 ] - [ 0.0003016600000000, 0.0006626800000000, -0.0001894200000000 ] - [ 0.0011669300000000, 0.0022671800000000, 0.0019365300000000 ] - [ -0.0006010200000000, 0.0022434300000000, -0.0010907300000000 ] - [ 0.0003361100000000, -0.0003277800000000, -0.0000266500000000 ] - [ -0.0001380300000000, 0.0002451400000000, -0.0001226500000000 ] - [ 0.0006819800000000, -0.0009522700000000, 0.0002766500000000 ] - [ -0.0002451300000000, 0.0006700200000000, -0.0002596600000000 ] - [ -0.0062875900000000, -0.0024305000000000, -0.0039172900000000 ] - [ 0.0005299600000000, 0.0011754100000000, -0.0002849300000000 ] - [ 0.0002108700000000, 0.0018617300000000, 0.0002054900000000 ] - [ -0.0099296800000000, 0.0047771700000000, 0.0047769100000000 ] - [ 0.0001820700000000, 0.0000128500000000, 0.0000386800000000 ] - [ 0.0000700300000000, 0.0002539400000000, -0.0003532400000000 ] - [ 0.0068050100000000, -0.0036449600000000, 0.0002072600000000 ] - [ -0.0001010000000000, 0.0016809100000000, 0.0000248100000000 ] - [ -0.0000578800000000, -0.0013355200000000, -0.0004660500000000 ] - [ -0.0002980200000000, -0.0001529300000000, -0.0001012700000000 ] - [ -0.0000459400000000, 0.0007651100000000, 0.0002045200000000 ] - [ -0.0006321200000000, -0.0005427300000000, -0.0009472900000000 ] - [ 0.0007239000000000, -0.0001283900000000, 0.0005208200000000 ] - [ -0.0009147400000000, 0.0010080700000000, -0.0005670000000000 ] - [ 0.0010123200000000, 0.0003348100000000, -0.0000923400000000 ] - [ -0.0012974700000000, 0.0008896900000000, 0.0001396200000000 ] - [ -0.0003462100000000, -0.0002833300000000, -0.0005746400000000 ] - [ 0.0002219300000000, 0.0005541200000000, -0.0001477200000000 ] - [ -0.0009928600000000, 0.0006134800000000, -0.0006165000000000 ] - [ -0.0000107600000000, 0.0000507500000000, 0.0001777700000000 ] - [ 0.0005572700000000, -0.0006957900000000, 0.0001653500000000 ] - [ -0.0001138700000000, 0.0005820000000000, -0.0000981000000000 ] - [ -0.0001302000000000, 0.0011077000000000, -0.0003118800000000 ] - [ -0.0002247000000000, 0.0001380400000000, 0.0001473400000000 ] - [ -0.0007584700000000, 0.0005022000000000, -0.0014664300000000 ] - [ 0.0001740900000000, 0.0007373400000000, -0.0000132800000000 ] - [ -0.0002181400000000, -0.0007593600000000, 0.0002017300000000 ] - [ -0.0001617100000000, 0.0005008400000000, 0.0003188900000000 ] - [ -0.0000160600000000, -0.0006393800000000, -0.0002905400000000 ] - [ 0.0000407100000000, -0.0003933900000000, -0.0000247600000000 ] - [ -0.0002558300000000, -0.0011977800000000, -0.0016982200000000 ] - [ -0.0002928600000000, 0.0007124000000000, 0.0000678200000000 ] - [ 0.0002270000000000, -0.0001769200000000, -0.0001738200000000 ] - [ 0.0000470700000000, -0.0001649100000000, -0.0001549500000000 ] - [ -0.0003478800000000, -0.0006958400000000, -0.0001038000000000 ] - [ -0.0003531400000000, 0.0001077400000000, 0.0001931900000000 ] - [ 0.0002839300000000, 0.0010858600000000, -0.0007785400000000 ] - [ 0.0032883400000000, -0.0004052300000000, 0.0042722800000000 ] - [ -0.0001921600000000, 0.0004026400000000, -0.0000274300000000 ] - [ 0.0004843100000000, -0.0010946900000000, 0.0006164800000000 ] - [ -0.0002350300000000, -0.0004175900000000, -0.0002980000000000 ] - [ 0.0002591800000000, 0.0004479600000000, -0.0002144700000000 ] - [ -0.0001566000000000, 0.0001974200000000, 0.0000511500000000 ] - [ 0.0000155200000000, 0.0011412700000000, 0.0000258700000000 ] - [ 0.0011613200000000, -0.0029165100000000, -0.0016462900000000 ] - [ 0.0004441400000000, 0.0012767000000000, -0.0000098000000000 ] - [ -0.0008470900000000, 0.0003047000000000, 0.0002118500000000 ] - [ 0.0002880700000000, -0.0002917400000000, 0.0001498700000000 ] - [ 0.0012786200000000, 0.0005902500000000, -0.0020779700000000 ] - [ 0.0001023700000000, 0.0007833500000000, 0.0009476000000000 ] - [ -0.0004197200000000, -0.0003692100000000, -0.0000580500000000 ] - [ 0.0001570600000000, 0.0006821800000000, 0.0004890900000000 ] - [ 0.0011340900000000, 0.0000991300000000, -0.0002484600000000 ] - [ -0.0002346700000000, 0.0009106400000000, 0.0000003300000000 ] - [ 0.0005370500000000, -0.0038784600000000, 0.0016085100000000 ] - [ 0.0000875200000000, 0.0014745700000000, 0.0002014400000000 ] - [ 0.0004595100000000, 0.0006561600000000, -0.0000695800000000 ] - [ 0.0001106800000000, 0.0000579400000000, 0.0003120700000000 ] - [ 0.0003597300000000, -0.0006327800000000, 0.0001028900000000 ] - [ -0.0004946400000000, 0.0007703000000000, 0.0001988300000000 ] - [ -0.0007774300000000, 0.0024106100000000, 0.0011892600000000 ] - [ 0.0037205900000000, 0.0017171300000000, -0.0020216800000000 ] - [ -0.0021283600000000, 0.0006347000000000, 0.0038471900000000 ] - [ 0.0002944500000000, 0.0021729200000000, -0.0004549200000000 ] - [ 0.0001113900000000, 0.0007035200000000, -0.0000486500000000 ] - [ -0.0005560400000000, -0.0007682700000000, -0.0002869800000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016343600000000, -0.0017071300000000, 0.0018773300000000 ] - [ 0.0005954400000000, 0.0012198300000000, -0.0001567100000000 ] - [ 0.0002072100000000, -0.0001101400000000, 0.0001849300000000 ] - [ -0.0007100300000000, -0.0006209600000000, 0.0001027300000000 ] - [ 0.0011138200000000, 0.0002848800000000, 0.0012888600000000 ] - [ -0.0006073900000000, 0.0009354700000000, -0.0028066800000000 ] - [ 0.0039717100000000, 0.0027445700000000, 0.0000447100000000 ] - [ -0.0018026800000000, 0.0049341900000000, -0.0008407400000000 ] - [ -0.0005324300000000, -0.0009189900000000, -0.0001902300000000 ] - [ -0.0009011800000000, 0.0008323300000000, -0.0004540900000000 ] - [ -0.0006073500000000, -0.0033564000000000, 0.0004335900000000 ] - [ -0.0001169800000000, 0.0020211400000000, 0.0000432600000000 ] - [ 0.0008492900000000, -0.0017780300000000, -0.0010087000000000 ] - [ -0.0002227700000000, 0.0018372800000000, -0.0001036000000000 ] - [ -0.0002961900000000, 0.0000596400000000, -0.0001403800000000 ] - [ -0.0014803500000000, 0.0002006000000000, -0.0004440000000000 ] - [ 0.0004629100000000, 0.0007863000000000, -0.0004761100000000 ] - [ 0.0012274600000000, -0.0009481600000000, 0.0012384300000000 ] - [ 0.0018556000000000, -0.0125181500000000, 0.0027605900000000 ] - [ 0.0001890500000000, 0.0014568600000000, 0.0003782000000000 ] - [ 0.0002098700000000, -0.0020863800000000, -0.0010171300000000 ] - [ 0.0000864700000000, 0.0005579200000000, -0.0000482400000000 ] - [ 0.0002973800000000, -0.0012160300000000, 0.0002923900000000 ] - [ 0.0001850700000000, 0.0010221200000000, 0.0001627000000000 ] - [ -0.0005115600000000, 0.0018651400000000, -0.0009282600000000 ] - [ 0.0005260500000000, -0.0006463100000000, 0.0059976800000000 ] - [ -0.0011629800000000, 0.0012586900000000, 0.0006555400000000 ] - [ 0.0013956400000000, 0.0005160000000000, -0.0002231800000000 ] - [ -0.0020819800000000, 0.0037544500000000, -0.0020830600000000 ] - [ 0.0031125200000000, 0.0012598300000000, 0.0007058000000000 ] - [ -0.0015590600000000, -0.0084542000000000, 0.0012436500000000 ] - [ -0.0001741100000000, 0.0025610700000000, 0.0001782500000000 ] - [ -0.0018687000000000, 0.0073457000000000, 0.0068685700000000 ] - [ 0.0018265400000000, 0.0043575600000000, -0.0002033300000000 ] - [ 0.0435415100000000, -0.0312235100000000, 0.0039170900000000 ] - [ 0.0003904800000000, 0.0018522400000000, -0.0006018100000000 ] - [ -0.0005770800000000, 0.0006938800000000, 0.0006282200000000 ] - [ -0.0000791700000000, -0.0001686400000000, -0.0000675700000000 ] - [ -0.0009619300000000, -0.0003736100000000, -0.0018532200000000 ] - [ -0.0000954900000000, 0.0008638700000000, -0.0004557900000000 ] - [ -0.0001742500000000, -0.0011860000000000, 0.0004365800000000 ] - [ -0.0001883900000000, 0.0006280400000000, 0.0005195500000000 ] - [ -0.0004654800000000, -0.0003926100000000, -0.0006999400000000 ] - [ 0.0000305600000000, 0.0002804700000000, -0.0005250900000000 ] - [ 0.0011449300000000, -0.0014244700000000, -0.0014018600000000 ] - [ 0.0000242200000000, 0.0017528100000000, 0.0013596500000000 ] - [ 0.0003208500000000, 0.0011288800000000, -0.0002079300000000 ] - [ -0.0003752600000000, -0.0003219700000000, -0.0007406100000000 ] - [ 0.0111740300000000, -0.0143528900000000, 0.0026873600000000 ] - [ -0.0005452700000000, -0.0014320200000000, -0.0002342700000000 ] - [ -0.0003749600000000, 0.0009991200000000, 0.0011336800000000 ] - [ -0.0000850100000000, -0.0016537000000000, -0.0000967100000000 ] - [ -0.0002641800000000, -0.0002170300000000, -0.0004850200000000 ] - [ -0.0002886400000000, -0.0001220100000000, 0.0004716100000000 ] - [ -0.0603628300000000, 0.0517865100000000, -0.0140914800000000 ] - [ 0.0002363300000000, -0.0010750600000000, -0.0000791800000000 ] - [ -0.0017234400000000, -0.0026656800000000, -0.0016580300000000 ] - [ 0.0000141900000000, -0.0026902600000000, 0.0013680300000000 ] - [ -0.0003345800000000, 0.0000177400000000, -0.0001634200000000 ] - [ 0.0001442700000000, -0.0005654700000000, -0.0000634200000000 ] - [ -0.0006900300000000, 0.0006390900000000, -0.0000857100000000 ] - [ 0.0002476700000000, -0.0009837600000000, 0.0004511300000000 ] - [ 0.0064375900000000, 0.0024139400000000, 0.0032977600000000 ] - [ -0.0003790700000000, -0.0012469900000000, -0.0002835800000000 ] - [ -0.0000329200000000, -0.0004830900000000, -0.0000293400000000 ] - [ 0.0102247900000000, -0.0033780200000000, -0.0046296500000000 ] - [ 0.0001457200000000, 0.0000400200000000, -0.0001449300000000 ] - [ 0.0002814400000000, -0.0001741600000000, 0.0002395900000000 ] - [ -0.0071724900000000, 0.0035190500000000, -0.0000943300000000 ] - [ -0.0002186700000000, -0.0017309300000000, 0.0000854900000000 ] - [ -0.0001081700000000, -0.0000631900000000, 0.0002675100000000 ] - [ 0.0001158500000000, -0.0012459100000000, -0.0000878900000000 ] - [ -0.0000808400000000, -0.0006913300000000, 0.0003974800000000 ] - [ 0.0005097600000000, 0.0006037800000000, 0.0015651600000000 ] - [ -0.0007121700000000, 0.0004360900000000, -0.0007030800000000 ] - [ 0.0009250500000000, -0.0006964200000000, 0.0003811700000000 ] - [ -0.0010119000000000, -0.0000248700000000, 0.0002798700000000 ] - [ 0.0013017800000000, -0.0005793600000000, 0.0000494200000000 ] - [ 0.0009444200000000, 0.0007018200000000, 0.0003197400000000 ] - [ 0.0003027800000000, -0.0001392200000000, -0.0001277000000000 ] - [ 0.0004541800000000, -0.0002105100000000, 0.0008810100000000 ] - [ -0.0005886700000000, 0.0003896900000000, 0.0000922500000000 ] - [ -0.0001960700000000, 0.0006080600000000, -0.0002755400000000 ] - [ 0.0004338500000000, -0.0006319600000000, -0.0000198700000000 ] - [ -0.0000504100000000, 0.0002478200000000, 0.0001418400000000 ] - [ 0.0000538200000000, 0.0012736200000000, -0.0003496700000000 ] - [ 0.0008853700000000, -0.0004688200000000, 0.0008468600000000 ] - [ -0.0000309000000000, -0.0006622400000000, -0.0005526100000000 ] - [ 0.0000972600000000, 0.0007060400000000, 0.0004207000000000 ] - [ 0.0000184100000000, -0.0005682100000000, 0.0002576500000000 ] - [ 0.0001862900000000, -0.0007657900000000, 0.0005025300000000 ] - [ 0.0001437300000000, -0.0009618700000000, 0.0001828100000000 ] - [ -0.0000991900000000, 0.0012845800000000, 0.0018057000000000 ] - [ -0.0000200900000000, -0.0006737200000000, 0.0000425100000000 ] - [ 0.0003757200000000, -0.0002609500000000, -0.0000854600000000 ] - [ 0.0004833000000000, -0.0002439500000000, -0.0001064300000000 ] - [ -0.0002482800000000, 0.0002711800000000, 0.0003588500000000 ] - [ -0.0001925200000000, -0.0005229400000000, 0.0000717400000000 ] - [ -0.0002808200000000, -0.0013995700000000, 0.0005857300000000 ] - [ -0.0033056500000000, 0.0000959100000000, -0.0044864000000000 ] - [ 0.0001856500000000, -0.0007075700000000, 0.0002149300000000 ] - [ -0.0004858400000000, 0.0007830000000000, -0.0004312900000000 ] - [ 0.0003530700000000, 0.0003563800000000, -0.0003179400000000 ] - [ -0.0001172800000000, -0.0005236900000000, -0.0003438300000000 ] - [ 0.0003284900000000, 0.0011988600000000, 0.0001529900000000 ] - [ 0.0001691000000000, 0.0002132100000000, 0.0001322900000000 ] - [ -0.0008384800000000, 0.0029596200000000, 0.0015622200000000 ] - [ -0.0001368800000000, -0.0012431200000000, -0.0001077300000000 ] - [ 0.0004925100000000, -0.0003894400000000, -0.0000959000000000 ] - [ -0.0005927300000000, 0.0002607500000000, -0.0000407900000000 ] - [ -0.0014508300000000, -0.0019519800000000, 0.0018921600000000 ] - [ -0.0002889800000000, -0.0021496400000000, -0.0011202500000000 ] - [ 0.0002826800000000, 0.0004421000000000, 0.0006421800000000 ] - [ -0.0003022900000000, -0.0006029100000000, 0.0000726400000000 ] - [ -0.0010708300000000, 0.0002162600000000, 0.0000452300000000 ] - [ 0.0002355900000000, -0.0005920400000000, -0.0001830000000000 ] - [ -0.0005090200000000, 0.0041853900000000, -0.0014113100000000 ] - [ -0.0000855400000000, -0.0011620100000000, -0.0000164600000000 ] - [ 0.0000876500000000, -0.0002399500000000, -0.0001985200000000 ] - [ 0.0004328700000000, 0.0003639800000000, -0.0005891700000000 ] - [ -0.0008955700000000, 0.0010458200000000, 0.0001680900000000 ] - [ -0.0000381000000000, -0.0003624600000000, 0.0000649900000000 ] - [ 0.0010957400000000, -0.0024708500000000, -0.0013050700000000 ] - [ -0.0034164200000000, -0.0018206000000000, 0.0019226500000000 ] - [ 0.0019214800000000, 0.0007301200000000, -0.0040047900000000 ] - [ -0.0004680500000000, -0.0007675300000000, 0.0002430800000000 ] - [ 0.0000298700000000, -0.0006263300000000, -0.0005345500000000 ] - [ 0.0006961800000000, 0.0008424100000000, -0.0003042900000000 ]- atom: 55 displacement: [ -0.0053126970990986, 0.0000000000000000, 0.0084720274747683 ] forces: - [ -0.0011876700000000, -0.0021030500000000, -0.0054435800000000 ] - [ 0.0004674000000000, 0.0004485000000000, -0.0005456200000000 ] - [ 0.0006412700000000, -0.0003438400000000, -0.0005128900000000 ] - [ 0.0009331000000000, -0.0005416600000000, -0.0006960900000000 ] - [ -0.0012449400000000, -0.0009491400000000, -0.0000005200000000 ] - [ -0.0015462300000000, -0.0000688300000000, 0.0000145700000000 ] - [ -0.0002480300000000, 0.0049194900000000, 0.0013826600000000 ] - [ 0.0011232800000000, -0.0059077900000000, 0.0045489700000000 ] - [ -0.0005808800000000, -0.0002440700000000, 0.0000326700000000 ] - [ -0.0004980700000000, 0.0001255700000000, -0.0000305700000000 ] - [ -0.0008120800000000, 0.0001293600000000, 0.0034382500000000 ] - [ -0.0001771800000000, 0.0004866000000000, 0.0006165700000000 ] - [ 0.0048665200000000, 0.0007600100000000, -0.0030222500000000 ] - [ 0.0005047000000000, 0.0001458600000000, -0.0005564800000000 ] - [ 0.0002464500000000, 0.0005065700000000, 0.0000566300000000 ] - [ 0.0000134700000000, -0.0001435100000000, 0.0001885900000000 ] - [ 0.0007485000000000, 0.0005277700000000, 0.0001492800000000 ] - [ -0.0001002700000000, -0.0004637900000000, -0.0010104000000000 ] - [ -0.0059738000000000, -0.0002366200000000, 0.0192957400000000 ] - [ -0.0005897600000000, -0.0004048500000000, 0.0007819000000000 ] - [ 0.0029582500000000, -0.0022832900000000, -0.0062083200000000 ] - [ 0.0002254300000000, -0.0003815200000000, -0.0006622100000000 ] - [ 0.0043150100000000, -0.0006761400000000, 0.0029609300000000 ] - [ 0.0008781200000000, 0.0000246100000000, 0.0002820100000000 ] - [ -0.0010539100000000, 0.0011543200000000, -0.0010009200000000 ] - [ -0.0018463500000000, -0.0050447300000000, -0.0092020900000000 ] - [ 0.0011723300000000, -0.0000421600000000, -0.0008719500000000 ] - [ 0.0025531700000000, 0.0036858800000000, -0.0027265800000000 ] - [ 0.0003836000000000, 0.0003440400000000, 0.0016295100000000 ] - [ -0.0014458200000000, 0.0018009000000000, 0.0040109100000000 ] - [ -0.0204094400000000, -0.0014132400000000, 0.0315855100000000 ] - [ -0.0007093800000000, -0.0001631100000000, -0.0000907500000000 ] - [ -0.0015562400000000, -0.0075717000000000, 0.0035524600000000 ] - [ -0.0029190000000000, 0.0042370900000000, 0.0013022800000000 ] - [ -0.0913664800000000, 0.0189034900000000, 0.0146130200000000 ] - [ -0.0009117800000000, -0.0002570900000000, 0.0000334300000000 ] - [ -0.0001440100000000, 0.0000987200000000, 0.0007891900000000 ] - [ -0.0000238600000000, 0.0003936100000000, 0.0012354800000000 ] - [ -0.0007784900000000, -0.0000182500000000, -0.0014463200000000 ] - [ -0.0000571200000000, 0.0000662400000000, -0.0004462600000000 ] - [ 0.0017134400000000, -0.0002600600000000, 0.0007318100000000 ] - [ 0.0003879800000000, -0.0000584300000000, 0.0006042900000000 ] - [ 0.0007430900000000, -0.0006077800000000, -0.0003686100000000 ] - [ 0.0010475500000000, 0.0006572800000000, -0.0004842100000000 ] - [ 0.0039832200000000, 0.0042892500000000, -0.0035756000000000 ] - [ 0.0004468900000000, -0.0007833500000000, -0.0011004000000000 ] - [ 0.0004150200000000, -0.0004143600000000, -0.0013880400000000 ] - [ 0.0015060500000000, 0.0034164500000000, -0.0059125100000000 ] - [ -0.0001184600000000, 0.0044649400000000, -0.0049808500000000 ] - [ 0.0004703400000000, -0.0011127700000000, -0.0009597100000000 ] - [ 0.0011576600000000, -0.0026570800000000, 0.0082850100000000 ] - [ 0.0001052600000000, -0.0007547000000000, 0.0003926700000000 ] - [ 0.0001641500000000, 0.0009586000000000, 0.0007683000000000 ] - [ 0.0001620600000000, -0.0009378900000000, 0.0008999800000000 ] - [ 0.1546471600000000, -0.0201980300000000, -0.0699957100000000 ] - [ 0.0009522200000000, -0.0002851200000000, -0.0004054300000000 ] - [ 0.0020617600000000, 0.0006437000000000, -0.0008859600000000 ] - [ 0.0020064000000000, -0.0009595800000000, -0.0009117200000000 ] - [ -0.0007274700000000, -0.0004488100000000, 0.0013268100000000 ] - [ -0.0002053800000000, -0.0001948500000000, 0.0003081200000000 ] - [ 0.0014312000000000, 0.0000944800000000, 0.0000774000000000 ] - [ 0.0002839600000000, -0.0002388800000000, 0.0000079400000000 ] - [ 0.0043017100000000, -0.0003191000000000, -0.0042522200000000 ] - [ 0.0003450600000000, 0.0002246900000000, -0.0006688900000000 ] - [ 0.0004074000000000, -0.0000165800000000, 0.0001297000000000 ] - [ -0.0127072400000000, 0.0142445500000000, 0.0029417100000000 ] - [ 0.0001203100000000, 0.0001610300000000, 0.0000118800000000 ] - [ 0.0001538000000000, -0.0000195000000000, -0.0000852500000000 ] - [ -0.0106131700000000, -0.0045114400000000, -0.0032258100000000 ] - [ -0.0002065300000000, 0.0010264300000000, -0.0001776300000000 ] - [ -0.0006464200000000, -0.0008664800000000, -0.0010206500000000 ] - [ -0.0001249400000000, -0.0007774600000000, -0.0002399000000000 ] - [ 0.0000459300000000, 0.0000724800000000, 0.0001999600000000 ] - [ 0.0001340800000000, 0.0002322900000000, -0.0000927000000000 ] - [ 0.0001104200000000, -0.0006284700000000, -0.0012907600000000 ] - [ 0.0000684700000000, 0.0000821700000000, -0.0010003400000000 ] - [ -0.0013068400000000, -0.0009171600000000, 0.0004737400000000 ] - [ -0.0014040000000000, 0.0008565900000000, 0.0000950900000000 ] - [ 0.0006970200000000, 0.0002487300000000, -0.0004116700000000 ] - [ 0.0003391300000000, 0.0002095000000000, -0.0002699300000000 ] - [ -0.0001380600000000, -0.0000424400000000, -0.0001929800000000 ] - [ 0.0000663300000000, 0.0001041200000000, -0.0004969300000000 ] - [ -0.0012234200000000, 0.0001277600000000, -0.0005748400000000 ] - [ 0.0000737400000000, 0.0000426400000000, -0.0001655200000000 ] - [ -0.0002026000000000, 0.0005511200000000, -0.0001626100000000 ] - [ -0.0001659100000000, 0.0007084600000000, 0.0001278100000000 ] - [ 0.0018369900000000, -0.0034300700000000, 0.0003278900000000 ] - [ 0.0002506400000000, 0.0001294200000000, -0.0007237300000000 ] - [ -0.0008957600000000, 0.0002924400000000, 0.0003183800000000 ] - [ -0.0002330600000000, -0.0000648700000000, 0.0003528400000000 ] - [ -0.0000860200000000, -0.0009460100000000, 0.0003381100000000 ] - [ 0.0000386900000000, -0.0004941600000000, 0.0000218100000000 ] - [ -0.0001956100000000, 0.0000232900000000, 0.0015576300000000 ] - [ -0.0002104400000000, -0.0000349500000000, 0.0000176800000000 ] - [ -0.0003614100000000, -0.0001161500000000, -0.0000936800000000 ] - [ -0.0003954400000000, -0.0002286300000000, -0.0001242000000000 ] - [ -0.0024553600000000, -0.0000458200000000, 0.0005047400000000 ] - [ -0.0006440600000000, -0.0003090400000000, 0.0001718600000000 ] - [ 0.0003648600000000, -0.0002996800000000, -0.0004995000000000 ] - [ 0.0046778400000000, 0.0030114500000000, 0.0019351300000000 ] - [ -0.0001775700000000, -0.0001462800000000, 0.0005544100000000 ] - [ -0.0009039100000000, -0.0002083200000000, 0.0033725200000000 ] - [ -0.0004908600000000, 0.0006476000000000, -0.0001213400000000 ] - [ -0.0004491900000000, -0.0005867400000000, -0.0002577200000000 ] - [ -0.0003239400000000, 0.0013674100000000, -0.0002762500000000 ] - [ -0.0001058500000000, 0.0004306200000000, -0.0001174400000000 ] - [ -0.0015797600000000, -0.0016844700000000, 0.0101142800000000 ] - [ 0.0004063300000000, 0.0001824400000000, 0.0002931200000000 ] - [ -0.0003616800000000, 0.0001489100000000, -0.0000284600000000 ] - [ -0.0008970100000000, -0.0011781200000000, -0.0006038000000000 ] - [ -0.0006355200000000, -0.0032092800000000, 0.0012185800000000 ] - [ 0.0002675300000000, 0.0016506800000000, 0.0008678500000000 ] - [ -0.0005721800000000, -0.0010321700000000, 0.0028569700000000 ] - [ -0.0001811600000000, -0.0003445900000000, 0.0014192100000000 ] - [ -0.0189400700000000, -0.0015486900000000, 0.0027611300000000 ] - [ -0.0002790400000000, 0.0001735400000000, 0.0000616100000000 ] - [ -0.0051150000000000, 0.0002516700000000, -0.0092729500000000 ] - [ 0.0000377800000000, 0.0002631200000000, -0.0001818300000000 ] - [ -0.0001074400000000, 0.0002730300000000, 0.0004992500000000 ] - [ -0.0015791900000000, -0.0002516900000000, 0.0026404500000000 ] - [ -0.0023626300000000, -0.0001444800000000, 0.0022403700000000 ] - [ -0.0007786300000000, 0.0003929500000000, 0.0006351800000000 ] - [ -0.0002989000000000, 0.0013646100000000, -0.0004648400000000 ] - [ -0.0017742000000000, -0.0072548600000000, 0.0003985000000000 ] - [ -0.0006890000000000, 0.0081644200000000, 0.0043486100000000 ] - [ 0.0003471700000000, -0.0003107000000000, 0.0003775500000000 ] - [ -0.0000465500000000, 0.0001889500000000, 0.0001011500000000 ] - [ -0.0007096100000000, 0.0000059900000000, 0.0023473800000000 ]- atom: 55 displacement: [ 0.0053126970990986, 0.0000000000000000, -0.0084720274747683 ] forces: - [ 0.0023443400000000, 0.0021224900000000, 0.0057898100000000 ] - [ 0.0007310800000000, -0.0003997700000000, 0.0009313000000000 ] - [ -0.0006727200000000, -0.0007642900000000, 0.0008672900000000 ] - [ -0.0009664800000000, -0.0005642000000000, 0.0010604900000000 ] - [ 0.0012699300000000, -0.0001497700000000, -0.0003624800000000 ] - [ 0.0015537600000000, -0.0010879000000000, -0.0003271300000000 ] - [ 0.0014510900000000, -0.0049181900000000, -0.0010195800000000 ] - [ 0.0000913900000000, 0.0058274000000000, -0.0041850100000000 ] - [ -0.0006299500000000, 0.0002921100000000, -0.0004055100000000 ] - [ -0.0007013400000000, -0.0000871200000000, -0.0003443100000000 ] - [ 0.0008076600000000, 0.0010319900000000, -0.0030312100000000 ] - [ 0.0001487600000000, 0.0006061700000000, -0.0002463100000000 ] - [ -0.0048119800000000, 0.0003436100000000, 0.0026149100000000 ] - [ -0.0004715300000000, 0.0009581400000000, 0.0001900800000000 ] - [ -0.0014415700000000, -0.0005345400000000, -0.0004362700000000 ] - [ -0.0012025100000000, 0.0000884100000000, -0.0005758500000000 ] - [ 0.0004567700000000, -0.0004817800000000, 0.0002356500000000 ] - [ 0.0013256800000000, 0.0005058900000000, 0.0013862900000000 ] - [ 0.0056366500000000, -0.0007742900000000, -0.0190604600000000 ] - [ 0.0005600800000000, -0.0007003600000000, -0.0004126600000000 ] - [ -0.0028695500000000, 0.0011554100000000, 0.0058346000000000 ] - [ -0.0001900700000000, -0.0007231500000000, 0.0002963300000000 ] - [ -0.0030665300000000, 0.0006230900000000, -0.0025375100000000 ] - [ 0.0003191300000000, -0.0000587100000000, 0.0001010100000000 ] - [ -0.0001494300000000, -0.0011158000000000, 0.0006171000000000 ] - [ 0.0006421600000000, 0.0051277800000000, 0.0087911300000000 ] - [ -0.0011973700000000, 0.0011305800000000, 0.0012374500000000 ] - [ -0.0025651200000000, -0.0025413000000000, 0.0030825100000000 ] - [ -0.0003545600000000, 0.0007682900000000, -0.0019956700000000 ] - [ 0.0014579800000000, -0.0006948400000000, -0.0043467300000000 ] - [ 0.0170071600000000, 0.0011919400000000, -0.0302953700000000 ] - [ -0.0004983400000000, 0.0001213000000000, -0.0002981000000000 ] - [ 0.0015036400000000, 0.0073290300000000, -0.0022762700000000 ] - [ 0.0028650300000000, -0.0044438100000000, -0.0000899200000000 ] - [ 0.0932408200000000, -0.0196523900000000, -0.0148290800000000 ] - [ 0.0009166400000000, 0.0000317600000000, -0.0012404500000000 ] - [ 0.0001393700000000, 0.0001264100000000, 0.0004225800000000 ] - [ 0.0000378600000000, -0.0001793100000000, -0.0000107000000000 ] - [ 0.0007845600000000, 0.0002410500000000, 0.0002399700000000 ] - [ 0.0000664400000000, 0.0001582900000000, -0.0007511600000000 ] - [ -0.0016893000000000, 0.0000347300000000, 0.0004717600000000 ] - [ -0.0003864800000000, -0.0001683500000000, 0.0005930000000000 ] - [ -0.0007376100000000, 0.0003767300000000, -0.0008247000000000 ] - [ -0.0010322700000000, -0.0008737400000000, -0.0007110000000000 ] - [ -0.0040117900000000, -0.0040953900000000, 0.0047598700000000 ] - [ -0.0004538200000000, 0.0010083700000000, 0.0022907900000000 ] - [ -0.0004195400000000, 0.0006329700000000, 0.0001796200000000 ] - [ -0.0015120000000000, -0.0031527100000000, 0.0046654900000000 ] - [ 0.0000879300000000, -0.0045481800000000, 0.0055904500000000 ] - [ -0.0005380300000000, 0.0010510400000000, 0.0015996500000000 ] - [ -0.0009546700000000, 0.0012404300000000, -0.0080215300000000 ] - [ 0.0000342500000000, -0.0006770000000000, -0.0001670300000000 ] - [ -0.0005132600000000, -0.0008781900000000, -0.0006588000000000 ] - [ -0.0004747900000000, 0.0009668100000000, -0.0008040900000000 ] - [ -0.1532848800000000, 0.0205283600000000, 0.0671786000000000 ] - [ -0.0003628100000000, -0.0001314900000000, 0.0001383000000000 ] - [ -0.0026134500000000, -0.0010824400000000, 0.0011377700000000 ] - [ -0.0025998700000000, 0.0005552600000000, 0.0011621800000000 ] - [ 0.0007151800000000, 0.0001573600000000, -0.0015167800000000 ] - [ 0.0002033400000000, -0.0001028600000000, -0.0005069500000000 ] - [ -0.0014178800000000, -0.0003850500000000, 0.0001036600000000 ] - [ -0.0002696300000000, -0.0000462500000000, 0.0001864500000000 ] - [ -0.0043159300000000, 0.0003091700000000, 0.0035216700000000 ] - [ -0.0002410000000000, -0.0002784900000000, 0.0000234500000000 ] - [ -0.0002590000000000, 0.0014348700000000, 0.0000919300000000 ] - [ 0.0129793400000000, -0.0129869400000000, -0.0027204500000000 ] - [ 0.0002011800000000, -0.0001238300000000, -0.0001115400000000 ] - [ 0.0002142700000000, 0.0001053700000000, -0.0000285800000000 ] - [ 0.0102761800000000, 0.0044634700000000, 0.0034038400000000 ] - [ -0.0001501100000000, -0.0011080400000000, 0.0002925700000000 ] - [ 0.0005023900000000, -0.0005723200000000, 0.0007788700000000 ] - [ -0.0000421900000000, -0.0006217300000000, 0.0000620000000000 ] - [ -0.0001575000000000, 0.0000084500000000, 0.0003925700000000 ] - [ -0.0002248900000000, -0.0001859300000000, 0.0007202600000000 ] - [ -0.0001292700000000, 0.0009167400000000, 0.0010977800000000 ] - [ -0.0000789400000000, 0.0002208400000000, 0.0008103400000000 ] - [ 0.0012908500000000, 0.0012047700000000, -0.0002828900000000 ] - [ 0.0013990400000000, -0.0005639800000000, 0.0001055600000000 ] - [ -0.0000889300000000, 0.0001666200000000, 0.0001497900000000 ] - [ 0.0002234800000000, 0.0002212400000000, -0.0000108700000000 ] - [ -0.0003970100000000, 0.0004436900000000, 0.0004671900000000 ] - [ -0.0007057000000000, 0.0003432900000000, 0.0007611700000000 ] - [ 0.0015565500000000, -0.0001983200000000, 0.0004729300000000 ] - [ 0.0002908700000000, -0.0001400300000000, 0.0000549600000000 ] - [ 0.0000664300000000, 0.0008846000000000, -0.0000704100000000 ] - [ 0.0000036100000000, 0.0007116300000000, -0.0003244400000000 ] - [ -0.0017483700000000, 0.0034678600000000, -0.0009992900000000 ] - [ -0.0001433300000000, -0.0000772200000000, 0.0000956400000000 ] - [ 0.0007850200000000, -0.0003473100000000, 0.0003130000000000 ] - [ 0.0001562300000000, 0.0000308800000000, 0.0003300900000000 ] - [ 0.0002266700000000, -0.0004879100000000, -0.0001035300000000 ] - [ 0.0001114400000000, -0.0009045000000000, 0.0001654300000000 ] - [ -0.0001807600000000, 0.0000695600000000, -0.0014265200000000 ] - [ -0.0001233700000000, 0.0000903100000000, 0.0000893800000000 ] - [ 0.0009822400000000, -0.0003145800000000, -0.0001672700000000 ] - [ 0.0009955000000000, -0.0001992900000000, -0.0001316600000000 ] - [ 0.0018364500000000, -0.0003762400000000, -0.0002452500000000 ] - [ 0.0000206300000000, -0.0001228300000000, 0.0000832700000000 ] - [ -0.0003760800000000, 0.0000108900000000, 0.0003003300000000 ] - [ -0.0046717200000000, -0.0033007500000000, -0.0021002000000000 ] - [ 0.0001736200000000, -0.0001344900000000, -0.0003500300000000 ] - [ 0.0009039900000000, -0.0001075100000000, -0.0031460100000000 ] - [ 0.0005677700000000, -0.0006776100000000, -0.0005384900000000 ] - [ 0.0005277900000000, 0.0005348900000000, -0.0003965900000000 ] - [ 0.0004600000000000, 0.0000729000000000, 0.0004860000000000 ] - [ 0.0002449600000000, 0.0009761800000000, 0.0003185800000000 ] - [ 0.0019391100000000, 0.0017578300000000, -0.0103418900000000 ] - [ -0.0000853000000000, -0.0001346900000000, -0.0004014100000000 ] - [ 0.0000003400000000, -0.0002300400000000, 0.0001358700000000 ] - [ 0.0005298800000000, 0.0010693200000000, 0.0006958300000000 ] - [ 0.0004858400000000, 0.0018200400000000, -0.0013921200000000 ] - [ -0.0004311600000000, -0.0030407700000000, -0.0010506600000000 ] - [ 0.0004812400000000, 0.0011154000000000, -0.0022092000000000 ] - [ 0.0000798400000000, 0.0004060100000000, -0.0007814200000000 ] - [ 0.0186682300000000, 0.0018073700000000, -0.0029115900000000 ] - [ 0.0002767500000000, 0.0001272600000000, -0.0002516500000000 ] - [ 0.0050977400000000, 0.0000197600000000, 0.0093734400000000 ] - [ -0.0000174300000000, 0.0000304900000000, 0.0003684800000000 ] - [ 0.0007265000000000, 0.0001641100000000, -0.0007579300000000 ] - [ 0.0021263500000000, 0.0006580900000000, -0.0028990500000000 ] - [ 0.0018072500000000, 0.0005830200000000, -0.0019489500000000 ] - [ 0.0002164200000000, 0.0000189300000000, -0.0003669600000000 ] - [ 0.0006455400000000, -0.0014275300000000, 0.0003472500000000 ] - [ 0.0021410000000000, 0.0070883400000000, -0.0005381200000000 ] - [ 0.0005408900000000, -0.0066638800000000, -0.0044843900000000 ] - [ -0.0004739600000000, 0.0017212100000000, -0.0005940300000000 ] - [ 0.0001281300000000, -0.0001298900000000, -0.0007616300000000 ] - [ 0.0008168600000000, 0.0000612400000000, -0.0029319200000000 ]- atom: 59 displacement: [ 0.0099999699248486, 0.0000000000000000, 0.0000245255402261 ] forces: - [ 0.0198225600000000, 0.0013459600000000, -0.0004184400000000 ] - [ 0.0012752800000000, -0.0003964100000000, 0.0001397000000000 ] - [ 0.0192412500000000, -0.0004307600000000, -0.0005683000000000 ] - [ 0.0037734300000000, -0.0025070000000000, 0.0005964900000000 ] - [ 0.0032608000000000, -0.0025078200000000, 0.0039796500000000 ] - [ 0.0020609200000000, -0.0000084800000000, 0.0010077500000000 ] - [ -0.0030505900000000, 0.0031108400000000, 0.0033789300000000 ] - [ 0.0006977000000000, -0.0011571600000000, 0.0011813000000000 ] - [ 0.0558507600000000, -0.0031662300000000, -0.0048988400000000 ] - [ 0.0004097300000000, -0.0005787400000000, 0.0000157400000000 ] - [ 0.0004299000000000, 0.0021192400000000, 0.0090038200000000 ] - [ 0.0002669000000000, -0.0002957200000000, 0.0014144400000000 ] - [ 0.0389570400000000, 0.0179177400000000, -0.0160451800000000 ] - [ 0.0005319900000000, 0.0006636500000000, 0.0000459200000000 ] - [ 0.0042981600000000, 0.0006969800000000, 0.0040604400000000 ] - [ -0.0002010600000000, -0.0003889800000000, 0.0008469500000000 ] - [ -0.0012088000000000, -0.0010678000000000, 0.0004573600000000 ] - [ -0.0008984700000000, 0.0008081600000000, 0.0007254000000000 ] - [ -0.0034297400000000, -0.0001251500000000, -0.0005361500000000 ] - [ -0.0009110100000000, -0.0007027200000000, -0.0000535700000000 ] - [ -0.0021875400000000, -0.0005690700000000, -0.0021037800000000 ] - [ -0.0005296300000000, -0.0007105500000000, -0.0006387000000000 ] - [ -0.0029297900000000, 0.0033214700000000, -0.0051279400000000 ] - [ -0.0000787000000000, -0.0010450200000000, -0.0009128300000000 ] - [ -0.0024563900000000, 0.0017443700000000, -0.0009558000000000 ] - [ -0.0026131000000000, -0.0014690600000000, -0.0007091400000000 ] - [ -0.0017309500000000, 0.0010773800000000, -0.0019983000000000 ] - [ -0.0010179200000000, 0.0002982600000000, -0.0011287400000000 ] - [ -0.0026943900000000, -0.0001469200000000, -0.0015528700000000 ] - [ -0.0015115000000000, 0.0010233000000000, -0.0009898600000000 ] - [ -0.0029002600000000, -0.0012939800000000, -0.0024523900000000 ] - [ -0.0013469400000000, 0.0001295800000000, -0.0008799100000000 ] - [ 0.0000724700000000, 0.0016650200000000, -0.0016918500000000 ] - [ -0.0002004900000000, -0.0004466100000000, 0.0000578400000000 ] - [ -0.0027576200000000, -0.0034573900000000, 0.0015497200000000 ] - [ -0.0002877200000000, 0.0005388700000000, 0.0003671100000000 ] - [ -0.0035427800000000, -0.0062857400000000, 0.0010492600000000 ] - [ -0.0010154100000000, 0.0059843200000000, 0.0038015800000000 ] - [ -0.0080466600000000, -0.0015142800000000, -0.0012489500000000 ] - [ -0.0004239800000000, 0.0001000500000000, -0.0004250600000000 ] - [ 0.0030284900000000, 0.0007064800000000, 0.0028803700000000 ] - [ 0.0007582900000000, -0.0007180000000000, 0.0012409900000000 ] - [ -0.0014612700000000, -0.0043755300000000, -0.0068640100000000 ] - [ 0.0008794400000000, 0.0003730600000000, -0.0013927600000000 ] - [ -0.0092567700000000, 0.0033067300000000, -0.0006606900000000 ] - [ -0.0002600200000000, -0.0002201900000000, 0.0003102500000000 ] - [ -0.0008251500000000, 0.0028489500000000, -0.0004973200000000 ] - [ -0.0007201000000000, -0.0031093500000000, -0.0039022100000000 ] - [ 0.0009366300000000, -0.0004538800000000, 0.0016495900000000 ] - [ 0.0002644600000000, -0.0000168300000000, 0.0006821100000000 ] - [ 0.0003666000000000, 0.0016478200000000, 0.0020742400000000 ] - [ 0.0001693200000000, -0.0015203100000000, 0.0005158900000000 ] - [ -0.0027360000000000, -0.0055574900000000, 0.0037546300000000 ] - [ -0.0014586800000000, 0.0018185200000000, 0.0009752600000000 ] - [ 0.0018962900000000, 0.0001210400000000, 0.0000304300000000 ] - [ 0.0006690000000000, -0.0003458800000000, -0.0001202400000000 ] - [ -0.0004410100000000, -0.0006969600000000, -0.0010231200000000 ] - [ -0.0004011800000000, -0.0000272000000000, -0.0001253100000000 ] - [ -0.1711840200000000, -0.0196887700000000, 0.0423055600000000 ] - [ -0.0009426400000000, 0.0001585500000000, 0.0000078100000000 ] - [ -0.0056869800000000, 0.0001790500000000, -0.0141580300000000 ] - [ -0.0008348600000000, 0.0000801000000000, -0.0001670900000000 ] - [ -0.0005420400000000, 0.0003980900000000, -0.0025444000000000 ] - [ -0.0002191900000000, -0.0000584300000000, -0.0013030200000000 ] - [ 0.0006830600000000, -0.0006078500000000, -0.0000320300000000 ] - [ 0.0011543900000000, 0.0021533500000000, -0.0003723600000000 ] - [ 0.0052345500000000, 0.0160069700000000, -0.0035908500000000 ] - [ -0.0012892400000000, -0.0016989100000000, -0.0002858900000000 ] - [ 0.0075268700000000, -0.0013919600000000, -0.0056922200000000 ] - [ -0.0002221900000000, 0.0000763100000000, -0.0003381800000000 ] - [ 0.0037781000000000, -0.0094588800000000, 0.0023036000000000 ] - [ 0.0000843900000000, 0.0015042400000000, 0.0008255800000000 ] - [ -0.0001048400000000, 0.0025207200000000, -0.0021958900000000 ] - [ -0.0007629800000000, -0.0023539900000000, -0.0018526300000000 ] - [ -0.0000497800000000, 0.0009778500000000, -0.0038856900000000 ] - [ -0.0002159800000000, 0.0003403400000000, -0.0007112400000000 ] - [ 0.0044904200000000, -0.0120901300000000, -0.0129980200000000 ] - [ -0.0002954500000000, 0.0007901600000000, -0.0004156100000000 ] - [ 0.0148653600000000, -0.0008867900000000, -0.0133522400000000 ] - [ 0.0004660700000000, 0.0004566000000000, -0.0003734000000000 ] - [ 0.0022313200000000, 0.0012170700000000, 0.0001611600000000 ] - [ 0.0017816200000000, -0.0010909600000000, -0.0002325900000000 ] - [ -0.0009949600000000, -0.0004010100000000, -0.0044049400000000 ] - [ 0.0000776700000000, 0.0000626900000000, -0.0004749200000000 ] - [ -0.0003906000000000, 0.0009146400000000, -0.0006395700000000 ] - [ -0.0001659900000000, 0.0006853300000000, -0.0013779100000000 ] - [ 0.0022725400000000, 0.0001668800000000, 0.0005570800000000 ] - [ 0.0004537300000000, -0.0002081500000000, -0.0001751800000000 ] - [ -0.0055096700000000, 0.0029056700000000, -0.0019624200000000 ] - [ -0.0008703800000000, -0.0004552000000000, -0.0004504500000000 ] - [ 0.0011639200000000, 0.0008330600000000, -0.0014544700000000 ] - [ 0.0001149500000000, -0.0007177200000000, -0.0002522500000000 ] - [ 0.0024122000000000, -0.0009306200000000, 0.0001637000000000 ] - [ 0.0001694400000000, 0.0003043000000000, 0.0000252900000000 ] - [ -0.0020752100000000, 0.0030943400000000, 0.0039155900000000 ] - [ -0.0007569400000000, 0.0000611100000000, -0.0003584900000000 ] - [ -0.0014509500000000, -0.0008951500000000, 0.0010738900000000 ] - [ -0.0004994300000000, 0.0000286100000000, 0.0003335900000000 ] - [ 0.0015113300000000, -0.0000010000000000, 0.0000051400000000 ] - [ 0.0015109000000000, 0.0000226600000000, -0.0000286900000000 ] - [ 0.0011069200000000, -0.0002844600000000, 0.0005141100000000 ] - [ 0.0011086300000000, -0.0002466700000000, 0.0005810500000000 ] - [ 0.0010618100000000, 0.0001270300000000, 0.0026031100000000 ] - [ 0.0001394900000000, -0.0000052900000000, 0.0001494800000000 ] - [ 0.0050569000000000, 0.0022210500000000, 0.0083844400000000 ] - [ -0.0000453600000000, 0.0010096800000000, 0.0004074300000000 ] - [ 0.0039774600000000, 0.0013018000000000, 0.0001292700000000 ] - [ 0.0006197900000000, -0.0001476100000000, 0.0000719100000000 ] - [ 0.0008753700000000, 0.0015254300000000, 0.0011811100000000 ] - [ 0.0002752000000000, -0.0012635000000000, 0.0010016500000000 ] - [ 0.0020064100000000, -0.0026067600000000, -0.0001497900000000 ] - [ 0.0000562400000000, -0.0001671500000000, -0.0000412600000000 ] - [ 0.0024749400000000, -0.0010075700000000, 0.0026737100000000 ] - [ 0.0002709300000000, 0.0003331700000000, 0.0006311400000000 ] - [ 0.0014604400000000, 0.0000170300000000, 0.0012741400000000 ] - [ 0.0005582600000000, 0.0001622100000000, 0.0004700700000000 ] - [ 0.0022099300000000, -0.0000180500000000, 0.0007662000000000 ] - [ 0.0007801100000000, 0.0005032200000000, 0.0004463700000000 ] - [ 0.0008772100000000, -0.0005001800000000, 0.0003628600000000 ] - [ 0.0016692900000000, 0.0011289600000000, 0.0008291700000000 ] - [ 0.0193039300000000, 0.0007208300000000, 0.0063944500000000 ] - [ -0.0003286200000000, 0.0002957600000000, 0.0001370300000000 ] - [ 0.0008526000000000, -0.0007447100000000, 0.0006666200000000 ] - [ 0.0006428300000000, 0.0003766200000000, 0.0005384400000000 ] - [ 0.0028506200000000, -0.0007831200000000, 0.0053321700000000 ] - [ 0.0000209800000000, 0.0007826800000000, 0.0001570900000000 ] - [ -0.0007938300000000, -0.0003933600000000, -0.0011624300000000 ] - [ -0.0003927400000000, 0.0086052300000000, 0.0021822100000000 ]- atom: 59 displacement: [ -0.0099999699248486, 0.0000000000000000, -0.0000245255402261 ] forces: - [ -0.0188298500000000, -0.0013731000000000, 0.0002221000000000 ] - [ -0.0000857800000000, 0.0004539400000000, 0.0002280000000000 ] - [ -0.0192647600000000, -0.0005002300000000, 0.0009990300000000 ] - [ -0.0037734100000000, 0.0013854200000000, -0.0002118000000000 ] - [ -0.0031933500000000, 0.0014139800000000, -0.0043648800000000 ] - [ -0.0020168500000000, -0.0010883900000000, -0.0013756900000000 ] - [ 0.0042082800000000, -0.0031733200000000, -0.0030074600000000 ] - [ 0.0004815800000000, 0.0011221300000000, -0.0008072500000000 ] - [ -0.0528655100000000, 0.0027234900000000, 0.0034650700000000 ] - [ -0.0015846800000000, 0.0006385000000000, -0.0003884800000000 ] - [ -0.0004145600000000, -0.0010163300000000, -0.0085977300000000 ] - [ -0.0002892800000000, 0.0013992200000000, -0.0010307500000000 ] - [ -0.0404654500000000, -0.0180113000000000, 0.0171893200000000 ] - [ -0.0005060100000000, 0.0004718800000000, -0.0004105800000000 ] - [ -0.0054799000000000, -0.0007509000000000, -0.0043754500000000 ] - [ -0.0009758600000000, 0.0003536000000000, -0.0012116800000000 ] - [ 0.0023913200000000, 0.0010941200000000, -0.0000774400000000 ] - [ 0.0020760100000000, -0.0007437900000000, -0.0003370600000000 ] - [ 0.0033947300000000, -0.0009873900000000, 0.0008938100000000 ] - [ 0.0008744600000000, -0.0004016500000000, 0.0004208700000000 ] - [ 0.0022061400000000, -0.0005387300000000, 0.0017422500000000 ] - [ 0.0005561500000000, -0.0003950700000000, 0.0002672900000000 ] - [ 0.0040894900000000, -0.0033371000000000, 0.0054560500000000 ] - [ 0.0012654100000000, 0.0010030200000000, 0.0012838900000000 ] - [ 0.0012610400000000, -0.0017140200000000, 0.0005892500000000 ] - [ 0.0014167800000000, 0.0015266000000000, 0.0003383600000000 ] - [ 0.0016842700000000, 0.0000162700000000, 0.0023580000000000 ] - [ 0.0009828900000000, 0.0008075800000000, 0.0014940600000000 ] - [ 0.0027129200000000, 0.0012309200000000, 0.0011710000000000 ] - [ 0.0015388700000000, 0.0000958700000000, 0.0006136400000000 ] - [ 0.0017134200000000, 0.0012454900000000, 0.0020517800000000 ] - [ 0.0001534600000000, -0.0001606500000000, 0.0004880000000000 ] - [ -0.0000764100000000, -0.0018826300000000, 0.0028610900000000 ] - [ 0.0001947900000000, 0.0002217300000000, 0.0011426200000000 ] - [ 0.0027690600000000, 0.0032382100000000, -0.0027564000000000 ] - [ 0.0002925000000000, -0.0007641600000000, -0.0015721000000000 ] - [ 0.0035441000000000, 0.0064878400000000, 0.0001567500000000 ] - [ 0.0010114500000000, -0.0057037800000000, -0.0025679700000000 ] - [ 0.0079658000000000, 0.0017120700000000, 0.0000328600000000 ] - [ 0.0004376300000000, 0.0001364400000000, -0.0007776800000000 ] - [ -0.0030270100000000, -0.0009340700000000, -0.0016541400000000 ] - [ -0.0007467000000000, 0.0005022500000000, -0.0000058800000000 ] - [ 0.0015338300000000, 0.0040821000000000, 0.0056136300000000 ] - [ -0.0008722100000000, -0.0005853300000000, 0.0001826800000000 ] - [ 0.0092635100000000, -0.0031210400000000, 0.0018573000000000 ] - [ 0.0002411100000000, 0.0004528600000000, 0.0008928300000000 ] - [ 0.0007859800000000, -0.0025963300000000, -0.0007196900000000 ] - [ 0.0006985200000000, 0.0033195300000000, 0.0026790600000000 ] - [ -0.0010325800000000, 0.0004120300000000, -0.0009875900000000 ] - [ -0.0003292600000000, -0.0000298800000000, 0.0000014700000000 ] - [ -0.0001589200000000, -0.0029817100000000, -0.0019302300000000 ] - [ -0.0000193700000000, 0.0000555300000000, -0.0002627900000000 ] - [ 0.0023931800000000, 0.0055982000000000, -0.0035920900000000 ] - [ 0.0011578700000000, -0.0018076200000000, -0.0008730500000000 ] - [ -0.0013022800000000, -0.0005457700000000, -0.0002808400000000 ] - [ -0.0001809600000000, -0.0000440200000000, -0.0001420200000000 ] - [ -0.0001722400000000, 0.0002586300000000, 0.0012873200000000 ] - [ -0.0003062800000000, -0.0004171700000000, 0.0003709900000000 ] - [ 0.1687181000000000, 0.0209505700000000, -0.0422864700000000 ] - [ 0.0009410300000000, -0.0004734100000000, -0.0001901700000000 ] - [ 0.0055415900000000, -0.0004756600000000, 0.0143520100000000 ] - [ 0.0008287300000000, -0.0003935100000000, 0.0003534300000000 ] - [ 0.0006435200000000, -0.0004498800000000, 0.0019133700000000 ] - [ 0.0003757500000000, -0.0000335900000000, 0.0007833800000000 ] - [ -0.0004930400000000, 0.0019424500000000, 0.0001523900000000 ] - [ -0.0010006500000000, -0.0007515200000000, 0.0005714600000000 ] - [ -0.0049645900000000, -0.0158510100000000, 0.0034628500000000 ] - [ 0.0016027900000000, 0.0017189000000000, 0.0001793300000000 ] - [ -0.0078990100000000, 0.0013328400000000, 0.0057923200000000 ] - [ -0.0000667600000000, -0.0000787300000000, 0.0004395600000000 ] - [ -0.0039424800000000, 0.0079886900000000, -0.0024324400000000 ] - [ -0.0002910900000000, -0.0028470300000000, -0.0009311800000000 ] - [ -0.0000519400000000, -0.0024115500000000, 0.0026976900000000 ] - [ 0.0006194200000000, 0.0024077300000000, 0.0024144500000000 ] - [ 0.0000387400000000, -0.0006624600000000, 0.0037001000000000 ] - [ 0.0002211300000000, -0.0000446400000000, 0.0005242300000000 ] - [ -0.0044501300000000, 0.0124617200000000, 0.0132268700000000 ] - [ 0.0002923500000000, -0.0004880400000000, 0.0005922100000000 ] - [ -0.0141178800000000, 0.0012860200000000, 0.0128924900000000 ] - [ 0.0001535500000000, -0.0000232500000000, 0.0001035500000000 ] - [ -0.0027005300000000, -0.0008144500000000, 0.0001131800000000 ] - [ -0.0023157600000000, 0.0014927500000000, 0.0004910400000000 ] - [ 0.0013231600000000, 0.0003838500000000, 0.0042832600000000 ] - [ 0.0003253000000000, -0.0002052000000000, 0.0003501400000000 ] - [ 0.0002525600000000, 0.0005428400000000, 0.0003769100000000 ] - [ -0.0000158100000000, 0.0006742900000000, 0.0012197400000000 ] - [ -0.0021226100000000, -0.0000693700000000, -0.0011110900000000 ] - [ -0.0003516800000000, 0.0002513400000000, -0.0004620500000000 ] - [ 0.0054061200000000, -0.0029770200000000, 0.0024828900000000 ] - [ 0.0007854500000000, 0.0003761600000000, 0.0010697600000000 ] - [ -0.0009649600000000, -0.0021724300000000, 0.0015978400000000 ] - [ 0.0000330400000000, -0.0007110300000000, 0.0004585900000000 ] - [ -0.0027151900000000, 0.0009652700000000, -0.0000495300000000 ] - [ -0.0005461500000000, -0.0002072000000000, 0.0000783900000000 ] - [ 0.0026663300000000, -0.0035300000000000, -0.0042068100000000 ] - [ 0.0013454100000000, -0.0004923100000000, 0.0001005500000000 ] - [ 0.0009101900000000, 0.0004925500000000, -0.0008226000000000 ] - [ -0.0001739700000000, -0.0004681900000000, -0.0000967700000000 ] - [ -0.0015017500000000, -0.0003012100000000, -0.0001902600000000 ] - [ -0.0014952000000000, -0.0003311900000000, -0.0001509600000000 ] - [ -0.0011093200000000, -0.0000152100000000, -0.0003292900000000 ] - [ -0.0010970300000000, -0.0000692600000000, -0.0003887800000000 ] - [ -0.0009743300000000, -0.0001531600000000, -0.0032528300000000 ] - [ -0.0000331300000000, -0.0000561600000000, -0.0007683300000000 ] - [ -0.0048839900000000, -0.0007437800000000, -0.0080444300000000 ] - [ 0.0002024200000000, 0.0003800900000000, -0.0002176200000000 ] - [ -0.0036843200000000, -0.0012849900000000, -0.0002315900000000 ] - [ -0.0002738700000000, 0.0002119900000000, -0.0001891300000000 ] - [ -0.0012699000000000, -0.0016252100000000, -0.0010596400000000 ] - [ -0.0006295500000000, 0.0011666100000000, -0.0008829300000000 ] - [ -0.0021903000000000, 0.0012719000000000, 0.0000220300000000 ] - [ -0.0002199200000000, -0.0012355700000000, -0.0001504200000000 ] - [ -0.0026093600000000, 0.0011048600000000, -0.0021178300000000 ] - [ -0.0003817100000000, -0.0002655000000000, -0.0000218800000000 ] - [ -0.0014461800000000, 0.0002893100000000, -0.0014494900000000 ] - [ -0.0005507500000000, 0.0001505400000000, -0.0006478600000000 ] - [ -0.0021951400000000, 0.0003244700000000, -0.0005771300000000 ] - [ -0.0007687300000000, -0.0001910300000000, -0.0002642300000000 ] - [ -0.0002082100000000, 0.0009430400000000, -0.0006070700000000 ] - [ -0.0011557700000000, -0.0007288400000000, -0.0010933500000000 ] - [ -0.0200976100000000, -0.0003411400000000, -0.0062172800000000 ] - [ -0.0002489100000000, 0.0001135400000000, 0.0001248400000000 ] - [ -0.0004771100000000, 0.0006455400000000, -0.0007699500000000 ] - [ -0.0002221300000000, -0.0005219800000000, -0.0006507200000000 ] - [ -0.0029823300000000, 0.0021808500000000, -0.0054723200000000 ] - [ -0.0001544100000000, 0.0006819600000000, -0.0004080100000000 ] - [ 0.0009185000000000, 0.0003946600000000, 0.0005167900000000 ] - [ 0.0005729400000000, -0.0084856200000000, -0.0027268100000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002922200000000, 0.0160822600000000, -0.0002262600000000 ] - [ 0.0001250700000000, -0.0036520700000000, 0.0003225500000000 ] - [ 0.0043128100000000, 0.0031126200000000, -0.0058176700000000 ] - [ 0.0019066200000000, -0.0073909400000000, 0.0013068200000000 ] - [ -0.0015954600000000, 0.0011572800000000, 0.0037098100000000 ] - [ 0.0004980700000000, -0.0024086600000000, -0.0011145200000000 ] - [ 0.0046660000000000, 0.0028941400000000, -0.0005875800000000 ] - [ 0.0001253800000000, -0.0019509900000000, 0.0006170500000000 ] - [ -0.0052542000000000, 0.0146009600000000, 0.0011979400000000 ] - [ -0.0003813000000000, -0.0028660300000000, 0.0001258800000000 ] - [ 0.0002767000000000, 0.0023843600000000, 0.0005668500000000 ] - [ 0.0003146200000000, -0.0015068000000000, 0.0002586400000000 ] - [ 0.0137921300000000, 0.0311410600000000, -0.0103531600000000 ] - [ 0.0012834700000000, -0.0042385600000000, -0.0002885400000000 ] - [ -0.0002727900000000, 0.0030500800000000, -0.0044058300000000 ] - [ -0.0008142300000000, -0.0029393100000000, 0.0007467800000000 ] - [ -0.0004476100000000, 0.0001804100000000, -0.0001202200000000 ] - [ 0.0011614500000000, -0.0003800500000000, 0.0004381700000000 ] - [ -0.0003725500000000, 0.0004658800000000, -0.0001069100000000 ] - [ -0.0000471800000000, -0.0015414100000000, 0.0002517300000000 ] - [ 0.0001022100000000, 0.0007894300000000, -0.0001131600000000 ] - [ -0.0002641700000000, -0.0017530800000000, -0.0005952000000000 ] - [ 0.0021042300000000, 0.0010665500000000, 0.0014577800000000 ] - [ -0.0004162500000000, -0.0012314500000000, -0.0003208100000000 ] - [ 0.0003192200000000, 0.0004582700000000, -0.0004597600000000 ] - [ -0.0018613200000000, -0.0005330800000000, -0.0002578300000000 ] - [ 0.0001801400000000, 0.0015566100000000, 0.0003077200000000 ] - [ -0.0004702500000000, -0.0004900300000000, -0.0003469900000000 ] - [ -0.0008920600000000, 0.0015678200000000, -0.0005749800000000 ] - [ 0.0003746500000000, -0.0003718600000000, 0.0000387800000000 ] - [ -0.0013211100000000, 0.0002317100000000, -0.0009310600000000 ] - [ -0.0001522100000000, -0.0007908000000000, 0.0006310300000000 ] - [ 0.0009444600000000, 0.0021496500000000, 0.0008784800000000 ] - [ -0.0002854900000000, -0.0012780800000000, 0.0004845300000000 ] - [ -0.0016872100000000, -0.0014036700000000, -0.0003677600000000 ] - [ 0.0003262300000000, -0.0010560700000000, -0.0004420800000000 ] - [ -0.0033146300000000, -0.0040332000000000, 0.0007274700000000 ] - [ 0.0014395500000000, -0.0022780400000000, -0.0007569900000000 ] - [ 0.0008251700000000, 0.0020106400000000, -0.0006294900000000 ] - [ -0.0002442300000000, -0.0011533400000000, -0.0007135900000000 ] - [ 0.0015035600000000, 0.0014829600000000, 0.0053592200000000 ] - [ -0.0012015900000000, -0.0022235800000000, -0.0026984700000000 ] - [ -0.0047738900000000, 0.0027454200000000, -0.0012193300000000 ] - [ 0.0007606800000000, -0.0016358100000000, -0.0005394000000000 ] - [ -0.0016087800000000, 0.0020028200000000, 0.0003736000000000 ] - [ 0.0004973500000000, -0.0012857800000000, 0.0005517900000000 ] - [ 0.0042327600000000, -0.0026956100000000, 0.0014582900000000 ] - [ -0.0023060800000000, -0.0025861900000000, -0.0078007100000000 ] - [ 0.0000412200000000, -0.0010243500000000, 0.0004277100000000 ] - [ -0.0000439700000000, 0.0007209000000000, 0.0004926000000000 ] - [ 0.0005393400000000, -0.0018099100000000, 0.0021160400000000 ] - [ -0.0003591400000000, 0.0017044100000000, -0.0014210900000000 ] - [ -0.0040724000000000, 0.0055059500000000, -0.0104164300000000 ] - [ -0.0009949600000000, 0.0028290700000000, 0.0016887600000000 ] - [ 0.0011956600000000, -0.0003836800000000, 0.0000918600000000 ] - [ 0.0001214500000000, 0.0001923000000000, -0.0003158400000000 ] - [ -0.0010415600000000, -0.0011425500000000, -0.0002925200000000 ] - [ -0.0000942000000000, 0.0003269700000000, 0.0003061400000000 ] - [ -0.0198880100000000, -0.0828854000000000, 0.0108923700000000 ] - [ 0.0003234200000000, 0.0022107500000000, -0.0001653900000000 ] - [ -0.0003652700000000, -0.0063497200000000, 0.0009976100000000 ] - [ -0.0002416100000000, 0.0012491200000000, 0.0000981900000000 ] - [ 0.0001257800000000, 0.0003978100000000, -0.0006131300000000 ] - [ -0.0000731200000000, 0.0004631800000000, -0.0007558000000000 ] - [ -0.0006062200000000, 0.0008813100000000, 0.0002174300000000 ] - [ 0.0010056200000000, 0.0013988200000000, -0.0000950000000000 ] - [ 0.0124318400000000, 0.0064981000000000, -0.0045602700000000 ] - [ -0.0001913600000000, 0.0017843000000000, 0.0002502100000000 ] - [ 0.0061768700000000, -0.0032220900000000, -0.0038134600000000 ] - [ -0.0003769000000000, 0.0010545200000000, 0.0000445200000000 ] - [ -0.0044898200000000, 0.0007111700000000, -0.0002312100000000 ] - [ 0.0007082200000000, 0.0013842200000000, 0.0002966900000000 ] - [ 0.0002221600000000, 0.0021558500000000, -0.0012922900000000 ] - [ -0.0005436100000000, 0.0003892600000000, 0.0011660800000000 ] - [ -0.0008307800000000, -0.0020108100000000, 0.0008280400000000 ] - [ -0.0001820100000000, 0.0013715100000000, -0.0001411400000000 ] - [ -0.0123660500000000, -0.0006890300000000, 0.0126577900000000 ] - [ 0.0006286200000000, 0.0026280800000000, -0.0005520300000000 ] - [ -0.0012064500000000, 0.0001529000000000, 0.0009525100000000 ] - [ 0.0006201500000000, 0.0009840400000000, -0.0000009000000000 ] - [ 0.0020143500000000, 0.0003775400000000, 0.0003197700000000 ] - [ -0.0014588400000000, 0.0009590300000000, 0.0002560500000000 ] - [ 0.0000678700000000, -0.0029245500000000, -0.0018986000000000 ] - [ -0.0004306300000000, 0.0024790900000000, 0.0010384300000000 ] - [ 0.0001476100000000, 0.0007971200000000, 0.0010535000000000 ] - [ -0.0003448700000000, 0.0012893300000000, -0.0014809300000000 ] - [ 0.0001691500000000, -0.0009448400000000, -0.0003584000000000 ] - [ -0.0000567000000000, 0.0007992400000000, -0.0002814900000000 ] - [ -0.0004502300000000, 0.0042417900000000, -0.0044250200000000 ] - [ -0.0004432400000000, 0.0063867600000000, 0.0068367400000000 ] - [ 0.0002034000000000, -0.0019747400000000, 0.0010103500000000 ] - [ 0.0000937400000000, 0.0001294300000000, -0.0000447500000000 ] - [ -0.0002387000000000, -0.0005377800000000, -0.0000629000000000 ] - [ -0.0002021100000000, 0.0007237100000000, 0.0002242300000000 ] - [ 0.0044403100000000, -0.0004920200000000, 0.0061684800000000 ] - [ -0.0005845200000000, 0.0010352500000000, -0.0008599600000000 ] - [ -0.0013826500000000, -0.0010044000000000, -0.0008307500000000 ] - [ 0.0006442500000000, 0.0006026500000000, 0.0008718100000000 ] - [ 0.0001841700000000, -0.0000878600000000, 0.0000958700000000 ] - [ 0.0001649800000000, -0.0000872500000000, -0.0001842600000000 ] - [ 0.0000797200000000, -0.0001045800000000, 0.0001381800000000 ] - [ 0.0001339700000000, -0.0001137600000000, 0.0002051000000000 ] - [ 0.0007090100000000, -0.0013807800000000, 0.0002555900000000 ] - [ 0.0000889000000000, 0.0009598500000000, -0.0004749900000000 ] - [ 0.0005760300000000, -0.0018658900000000, -0.0011846500000000 ] - [ -0.0000678900000000, 0.0019430400000000, 0.0002982100000000 ] - [ 0.0005535300000000, -0.0004089600000000, 0.0000846800000000 ] - [ 0.0001334700000000, 0.0005638900000000, -0.0000566300000000 ] - [ 0.0007117700000000, -0.0002841200000000, 0.0002042100000000 ] - [ -0.0003494100000000, 0.0005595200000000, -0.0001793800000000 ] - [ 0.0000577800000000, -0.0021725400000000, -0.0006582700000000 ] - [ -0.0001266500000000, 0.0002769600000000, 0.0001505200000000 ] - [ 0.0002992500000000, -0.0011471500000000, 0.0008663900000000 ] - [ 0.0000459600000000, 0.0010060100000000, 0.0001799700000000 ] - [ 0.0001451700000000, -0.0000460700000000, -0.0002663700000000 ] - [ 0.0000066200000000, 0.0004297100000000, 0.0000514900000000 ] - [ -0.0001714400000000, 0.0000140700000000, 0.0002749200000000 ] - [ 0.0003527000000000, 0.0004278300000000, -0.0000344800000000 ] - [ -0.0018594700000000, -0.0000694200000000, -0.0005877700000000 ] - [ 0.0023091300000000, 0.0010664200000000, 0.0012230700000000 ] - [ 0.0027452700000000, -0.0038025400000000, 0.0021639200000000 ] - [ -0.0009783400000000, 0.0015125400000000, -0.0001896700000000 ] - [ 0.0002060200000000, -0.0005996500000000, -0.0003415100000000 ] - [ 0.0001696200000000, 0.0004754100000000, 0.0001569200000000 ] - [ 0.0010948400000000, -0.0009234800000000, 0.0023631900000000 ] - [ 0.0000108200000000, 0.0018883400000000, -0.0003030000000000 ] - [ -0.0038986400000000, 0.0049583800000000, -0.0031528100000000 ] - [ 0.0059318200000000, 0.0121360000000000, 0.0024843700000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008548800000000, -0.0159828400000000, 0.0005738000000000 ] - [ 0.0010692200000000, 0.0036711100000000, 0.0000613600000000 ] - [ -0.0043482600000000, -0.0026377800000000, 0.0064962000000000 ] - [ -0.0019531300000000, 0.0062842400000000, -0.0009422000000000 ] - [ 0.0016269000000000, -0.0022131900000000, -0.0040699800000000 ] - [ -0.0004597500000000, 0.0012920800000000, 0.0007492300000000 ] - [ -0.0034585400000000, -0.0029159200000000, 0.0009572800000000 ] - [ 0.0010703800000000, 0.0019068500000000, -0.0002527600000000 ] - [ 0.0039287400000000, -0.0144630600000000, -0.0015593600000000 ] - [ -0.0008213100000000, 0.0028894800000000, -0.0004964100000000 ] - [ -0.0003002800000000, -0.0012994400000000, -0.0002331600000000 ] - [ -0.0003509000000000, 0.0026004000000000, 0.0001076500000000 ] - [ -0.0143769700000000, -0.0301566900000000, 0.0105149500000000 ] - [ -0.0012238600000000, 0.0053069800000000, -0.0000817000000000 ] - [ -0.0009131200000000, -0.0030547200000000, 0.0040153600000000 ] - [ -0.0003781900000000, 0.0028890300000000, -0.0011269700000000 ] - [ 0.0016338200000000, -0.0001377500000000, 0.0004939000000000 ] - [ 0.0000322600000000, 0.0004044800000000, -0.0000661900000000 ] - [ 0.0003310800000000, -0.0015677700000000, 0.0004815700000000 ] - [ 0.0000119900000000, 0.0004326600000000, 0.0001167600000000 ] - [ -0.0000630800000000, -0.0019004800000000, -0.0002569900000000 ] - [ 0.0002968200000000, 0.0006492500000000, 0.0002195400000000 ] - [ -0.0008994900000000, -0.0011224800000000, -0.0010748800000000 ] - [ 0.0015906600000000, 0.0012010600000000, 0.0006888700000000 ] - [ -0.0015098500000000, -0.0004101100000000, 0.0000854600000000 ] - [ 0.0006767400000000, 0.0005545600000000, -0.0001103900000000 ] - [ -0.0002185700000000, -0.0004329500000000, 0.0000599400000000 ] - [ 0.0004304900000000, 0.0015741000000000, 0.0007205200000000 ] - [ 0.0009269100000000, -0.0004536200000000, 0.0001943100000000 ] - [ -0.0003348700000000, 0.0014647800000000, -0.0003987000000000 ] - [ 0.0001260000000000, -0.0002849600000000, 0.0005439400000000 ] - [ -0.0010342300000000, 0.0007613800000000, -0.0010041000000000 ] - [ -0.0009241000000000, -0.0023363900000000, 0.0003131800000000 ] - [ 0.0002908700000000, 0.0010477900000000, 0.0007226900000000 ] - [ 0.0016843600000000, 0.0011863800000000, -0.0008385600000000 ] - [ -0.0003188700000000, 0.0008348100000000, -0.0007669300000000 ] - [ 0.0033080800000000, 0.0042471400000000, 0.0004819900000000 ] - [ -0.0014424500000000, 0.0024802100000000, 0.0019605400000000 ] - [ -0.0007906300000000, -0.0017734500000000, -0.0005687100000000 ] - [ 0.0002409600000000, 0.0013746700000000, -0.0004955100000000 ] - [ -0.0015025300000000, -0.0017209100000000, -0.0041531800000000 ] - [ 0.0011856700000000, 0.0019959000000000, 0.0038585800000000 ] - [ 0.0047392700000000, -0.0029246400000000, 0.0000314500000000 ] - [ -0.0007677600000000, 0.0014069500000000, -0.0006643000000000 ] - [ 0.0015688300000000, -0.0017524200000000, 0.0008325200000000 ] - [ -0.0004830700000000, 0.0014961300000000, 0.0006511000000000 ] - [ -0.0042127100000000, 0.0029292800000000, -0.0026215800000000 ] - [ 0.0023108900000000, 0.0027883600000000, 0.0066362500000000 ] - [ -0.0001908600000000, 0.0009220700000000, 0.0001009800000000 ] - [ -0.0000531600000000, -0.0007742900000000, 0.0001372000000000 ] - [ -0.0003537900000000, 0.0004636900000000, -0.0019526300000000 ] - [ 0.0005198600000000, -0.0031054700000000, 0.0016132300000000 ] - [ 0.0036830800000000, -0.0054003900000000, 0.0103895700000000 ] - [ 0.0006767800000000, -0.0027822900000000, -0.0015948600000000 ] - [ -0.0006891000000000, -0.0000240600000000, -0.0003582200000000 ] - [ 0.0004805300000000, -0.0006065100000000, 0.0000623400000000 ] - [ 0.0005408900000000, 0.0007344700000000, 0.0005614500000000 ] - [ -0.0005336600000000, -0.0007525500000000, -0.0000555500000000 ] - [ 0.0207872900000000, 0.0809112900000000, -0.0121354500000000 ] - [ -0.0003206700000000, -0.0025162100000000, -0.0000221300000000 ] - [ 0.0003079500000000, 0.0060280300000000, -0.0007052100000000 ] - [ 0.0002361800000000, -0.0015567600000000, 0.0000828200000000 ] - [ 0.0000228400000000, -0.0004720000000000, 0.0000760700000000 ] - [ 0.0001859100000000, -0.0005233700000000, 0.0001259600000000 ] - [ 0.0007567200000000, 0.0005322400000000, -0.0000009900000000 ] - [ -0.0008306100000000, -0.0000561000000000, 0.0002308200000000 ] - [ -0.0119669000000000, -0.0064293600000000, 0.0043962700000000 ] - [ 0.0005266000000000, -0.0017231600000000, -0.0003611900000000 ] - [ -0.0065114700000000, 0.0032029300000000, 0.0039311700000000 ] - [ 0.0000119900000000, -0.0011360000000000, 0.0000767300000000 ] - [ 0.0043343400000000, -0.0020820200000000, 0.0000499300000000 ] - [ -0.0008851800000000, -0.0027444000000000, -0.0004462400000000 ] - [ -0.0003655100000000, -0.0020694500000000, 0.0018331400000000 ] - [ 0.0004196500000000, -0.0003043900000000, -0.0005813000000000 ] - [ 0.0008164100000000, 0.0023043600000000, -0.0009967000000000 ] - [ 0.0001847600000000, -0.0010522000000000, -0.0000403400000000 ] - [ 0.0122677100000000, 0.0009217400000000, -0.0123919400000000 ] - [ -0.0006366000000000, -0.0023117400000000, 0.0007360600000000 ] - [ 0.0017080400000000, 0.0002580600000000, -0.0011428300000000 ] - [ -0.0000219700000000, -0.0005519600000000, -0.0002646700000000 ] - [ -0.0025114900000000, 0.0000145600000000, -0.0000511800000000 ] - [ 0.0008904500000000, -0.0005334700000000, 0.0000013700000000 ] - [ 0.0002551500000000, 0.0028778400000000, 0.0017925600000000 ] - [ 0.0007889000000000, -0.0025472800000000, -0.0011367900000000 ] - [ -0.0002980100000000, 0.0006121900000000, -0.0012547800000000 ] - [ 0.0001678400000000, 0.0000969400000000, 0.0013219000000000 ] - [ -0.0000503900000000, 0.0010070600000000, -0.0002368500000000 ] - [ 0.0001727000000000, -0.0007347800000000, -0.0003346500000000 ] - [ 0.0002995600000000, -0.0043215800000000, 0.0050251800000000 ] - [ 0.0003260800000000, -0.0063291000000000, -0.0060786500000000 ] - [ -0.0000375900000000, 0.0005630400000000, -0.0008117900000000 ] - [ 0.0000727600000000, -0.0015244100000000, 0.0002432600000000 ] - [ -0.0001153300000000, 0.0006087700000000, 0.0001738800000000 ] - [ -0.0001356400000000, -0.0006599400000000, -0.0001112400000000 ] - [ -0.0037820600000000, 0.0000294000000000, -0.0063718300000000 ] - [ 0.0011414000000000, -0.0014402200000000, 0.0006096200000000 ] - [ 0.0008303900000000, 0.0005989400000000, 0.0010812200000000 ] - [ -0.0012517600000000, -0.0010236800000000, -0.0006107800000000 ] - [ -0.0001762500000000, -0.0002236300000000, -0.0002784700000000 ] - [ -0.0001521500000000, -0.0002192700000000, 0.0000086000000000 ] - [ -0.0000841300000000, -0.0002045000000000, 0.0000471100000000 ] - [ -0.0001332600000000, -0.0002026300000000, -0.0000192100000000 ] - [ -0.0005943200000000, 0.0013118000000000, -0.0008751600000000 ] - [ 0.0000492100000000, -0.0010276500000000, -0.0000786000000000 ] - [ -0.0004313200000000, 0.0032533900000000, 0.0013475900000000 ] - [ 0.0002478900000000, -0.0005726100000000, -0.0001391100000000 ] - [ -0.0001987900000000, 0.0004765700000000, -0.0001981500000000 ] - [ 0.0001479000000000, -0.0005659800000000, -0.0000549400000000 ] - [ -0.0010584900000000, 0.0001971200000000, -0.0000891000000000 ] - [ 0.0000292500000000, -0.0005963600000000, 0.0002878200000000 ] - [ -0.0002222200000000, 0.0007701200000000, 0.0004704500000000 ] - [ -0.0000724800000000, -0.0015998200000000, -0.0002727900000000 ] - [ -0.0004001500000000, 0.0011978200000000, -0.0002457300000000 ] - [ -0.0002055600000000, -0.0009050900000000, 0.0003348600000000 ] - [ -0.0001366300000000, 0.0003665300000000, 0.0000828100000000 ] - [ 0.0000046300000000, -0.0001159400000000, -0.0002286400000000 ] - [ 0.0001710000000000, 0.0003095200000000, -0.0000933700000000 ] - [ -0.0003426800000000, -0.0001158200000000, 0.0002131000000000 ] - [ 0.0024385200000000, 0.0004817500000000, 0.0003290100000000 ] - [ -0.0017674400000000, -0.0006384400000000, -0.0014990600000000 ] - [ -0.0032212400000000, 0.0042408800000000, -0.0019005700000000 ] - [ 0.0004657700000000, -0.0011119800000000, 0.0004492700000000 ] - [ 0.0000895100000000, 0.0005878400000000, 0.0002373400000000 ] - [ 0.0001906400000000, -0.0005569600000000, -0.0002779600000000 ] - [ -0.0012542600000000, 0.0022203400000000, -0.0024182000000000 ] - [ -0.0001683600000000, -0.0004691600000000, 0.0000832300000000 ] - [ 0.0039448800000000, -0.0048369500000000, 0.0024688400000000 ] - [ -0.0058797500000000, -0.0121778800000000, -0.0030812900000000 ]- atom: 59 displacement: [ -0.0053126970990986, 0.0000000000000000, 0.0084720274747683 ] forces: - [ -0.0134656500000000, -0.0000780000000000, 0.0155837800000000 ] - [ 0.0004218100000000, 0.0004091800000000, 0.0008539900000000 ] - [ -0.0103434300000000, -0.0044376300000000, 0.0142729600000000 ] - [ -0.0021558900000000, 0.0020755800000000, 0.0022406900000000 ] - [ 0.0015318500000000, 0.0048494700000000, -0.0052660100000000 ] - [ -0.0005345100000000, -0.0016699100000000, -0.0012972000000000 ] - [ 0.0080453800000000, -0.0035296200000000, -0.0032327800000000 ] - [ 0.0011594000000000, 0.0009085300000000, -0.0006536800000000 ] - [ -0.0360801900000000, 0.0019060500000000, 0.0175057200000000 ] - [ -0.0011970500000000, 0.0004048400000000, 0.0000269600000000 ] - [ 0.0053465900000000, -0.0023177800000000, -0.0106271300000000 ] - [ 0.0004306400000000, 0.0012733600000000, -0.0008705000000000 ] - [ -0.0371033400000000, -0.0221484500000000, 0.0338435800000000 ] - [ 0.0001661800000000, 0.0000207400000000, 0.0002761700000000 ] - [ -0.0023125900000000, -0.0019505100000000, -0.0081738200000000 ] - [ -0.0004403500000000, 0.0013143600000000, -0.0014302400000000 ] - [ 0.0013354100000000, 0.0004679200000000, -0.0008327000000000 ] - [ 0.0010647100000000, -0.0004614400000000, -0.0009538300000000 ] - [ 0.0018567800000000, -0.0012515900000000, 0.0001861700000000 ] - [ 0.0004701000000000, -0.0004084100000000, 0.0001051000000000 ] - [ 0.0000861100000000, -0.0006198300000000, -0.0001158000000000 ] - [ -0.0001077600000000, -0.0004354400000000, -0.0002064400000000 ] - [ 0.0006389500000000, -0.0012163800000000, 0.0031929900000000 ] - [ 0.0003518200000000, 0.0002423400000000, 0.0009775700000000 ] - [ 0.0002286600000000, -0.0007992000000000, 0.0007131000000000 ] - [ 0.0004180300000000, 0.0006331400000000, 0.0006029500000000 ] - [ -0.0007574900000000, 0.0004835100000000, 0.0008830500000000 ] - [ -0.0002135400000000, 0.0004154900000000, 0.0007616600000000 ] - [ 0.0007106700000000, 0.0012606100000000, 0.0002343800000000 ] - [ 0.0006585400000000, 0.0001732600000000, 0.0000038300000000 ] - [ -0.0008848300000000, -0.0015389300000000, -0.0014795800000000 ] - [ -0.0005516200000000, 0.0004914400000000, -0.0003041000000000 ] - [ 0.0012434200000000, 0.0018231400000000, -0.0015587100000000 ] - [ 0.0003961600000000, -0.0002385800000000, 0.0005768100000000 ] - [ 0.0042917200000000, 0.0038488300000000, -0.0030510400000000 ] - [ 0.0006475900000000, -0.0005313200000000, -0.0018294500000000 ] - [ 0.0024678300000000, 0.0045641100000000, 0.0006640100000000 ] - [ 0.0010275100000000, -0.0035453600000000, -0.0000284100000000 ] - [ 0.0056577600000000, 0.0014719300000000, -0.0012790300000000 ] - [ 0.0003458300000000, 0.0001923300000000, -0.0010388300000000 ] - [ -0.0032935500000000, 0.0009607300000000, -0.0052814100000000 ] - [ -0.0006386400000000, -0.0008575400000000, -0.0005738500000000 ] - [ -0.0046935800000000, 0.0025358100000000, 0.0021520800000000 ] - [ -0.0012122500000000, -0.0002854400000000, -0.0001538400000000 ] - [ 0.0036955300000000, -0.0009632200000000, 0.0020351300000000 ] - [ 0.0001546700000000, 0.0002778900000000, 0.0009162800000000 ] - [ -0.0022738500000000, 0.0030971800000000, 0.0020637500000000 ] - [ -0.0004627200000000, -0.0005423900000000, 0.0038069300000000 ] - [ -0.0005045500000000, -0.0000432000000000, 0.0011838100000000 ] - [ -0.0002617500000000, 0.0000364800000000, 0.0002552400000000 ] - [ 0.0016718200000000, 0.0031634300000000, -0.0002630800000000 ] - [ 0.0003611900000000, -0.0018213800000000, -0.0001001900000000 ] - [ 0.0037307300000000, -0.0073741300000000, 0.0008719600000000 ] - [ 0.0003189000000000, -0.0004229200000000, -0.0011676100000000 ] - [ -0.0019062300000000, -0.0003133500000000, 0.0004151300000000 ] - [ -0.0001990700000000, -0.0001574100000000, 0.0001192500000000 ] - [ -0.0018948400000000, -0.0003853500000000, 0.0029297800000000 ] - [ -0.0005085600000000, -0.0002019300000000, 0.0005294000000000 ] - [ 0.1266799400000000, 0.0212174600000000, -0.1172396500000000 ] - [ 0.0005948700000000, -0.0004157200000000, -0.0006064600000000 ] - [ -0.0091087400000000, -0.0010650600000000, 0.0252522900000000 ] - [ 0.0002129800000000, -0.0003153400000000, 0.0002020300000000 ] - [ -0.0000032900000000, -0.0003770400000000, 0.0023882300000000 ] - [ -0.0001404100000000, -0.0005847900000000, 0.0009975100000000 ] - [ -0.0009632300000000, 0.0019751500000000, -0.0000028900000000 ] - [ -0.0012451400000000, -0.0007849400000000, 0.0001989800000000 ] - [ -0.0037293900000000, -0.0118262000000000, -0.0006792600000000 ] - [ 0.0011043400000000, 0.0011686800000000, -0.0003456800000000 ] - [ -0.0106766800000000, 0.0017399600000000, 0.0073656000000000 ] - [ -0.0003980400000000, -0.0001936900000000, 0.0004612300000000 ] - [ -0.0016341800000000, 0.0045337200000000, -0.0031447700000000 ] - [ -0.0000342200000000, -0.0022167000000000, -0.0010944900000000 ] - [ -0.0006183200000000, -0.0019403600000000, 0.0015020400000000 ] - [ -0.0004084800000000, 0.0025541600000000, 0.0012759900000000 ] - [ -0.0031884900000000, -0.0010210000000000, 0.0055123300000000 ] - [ -0.0004009500000000, 0.0001171900000000, 0.0005830100000000 ] - [ -0.0136124700000000, 0.0174625500000000, 0.0156233100000000 ] - [ -0.0002816700000000, -0.0007125900000000, 0.0001379400000000 ] - [ -0.0093640500000000, 0.0009135400000000, 0.0084562700000000 ] - [ 0.0000218600000000, -0.0000052700000000, 0.0000606000000000 ] - [ -0.0020432300000000, -0.0004926300000000, 0.0002000300000000 ] - [ -0.0014494900000000, 0.0009308500000000, 0.0002555500000000 ] - [ -0.0005615600000000, -0.0003002600000000, 0.0062518200000000 ] - [ -0.0001018200000000, 0.0001947700000000, 0.0004558700000000 ] - [ 0.0001405300000000, 0.0011589100000000, 0.0010671100000000 ] - [ 0.0000018300000000, -0.0001083200000000, 0.0021958700000000 ] - [ -0.0011283200000000, -0.0000710400000000, -0.0003886900000000 ] - [ -0.0000966100000000, 0.0001974500000000, -0.0001493000000000 ] - [ 0.0039287500000000, -0.0070279600000000, 0.0038825200000000 ] - [ 0.0002700400000000, 0.0017556600000000, 0.0012071200000000 ] - [ -0.0003178900000000, -0.0017076200000000, 0.0023280400000000 ] - [ 0.0001520400000000, -0.0008299300000000, 0.0005979000000000 ] - [ -0.0016867900000000, 0.0006674300000000, 0.0004581600000000 ] - [ -0.0002749600000000, -0.0000955000000000, 0.0002728900000000 ] - [ 0.0050036100000000, 0.0017674100000000, 0.0019309700000000 ] - [ 0.0014423900000000, -0.0009428100000000, -0.0000270800000000 ] - [ 0.0019504600000000, 0.0000155900000000, 0.0005857500000000 ] - [ 0.0003534100000000, -0.0000351800000000, 0.0002449400000000 ] - [ -0.0007370100000000, -0.0003430800000000, 0.0000655100000000 ] - [ -0.0007090200000000, -0.0001128900000000, 0.0000871000000000 ] - [ -0.0001809800000000, -0.0001984500000000, -0.0000651500000000 ] - [ -0.0002401700000000, -0.0001712400000000, -0.0001037500000000 ] - [ 0.0007084200000000, -0.0002790700000000, -0.0011950500000000 ] - [ 0.0003054700000000, 0.0000155800000000, -0.0003910500000000 ] - [ -0.0011333300000000, -0.0008628100000000, -0.0068312000000000 ] - [ 0.0003005300000000, 0.0004265500000000, -0.0002405100000000 ] - [ -0.0013914500000000, -0.0004190000000000, -0.0002359100000000 ] - [ -0.0000960900000000, 0.0000623800000000, -0.0001622800000000 ] - [ 0.0005817200000000, -0.0004388800000000, -0.0006543900000000 ] - [ -0.0000483500000000, 0.0006135400000000, -0.0004652800000000 ] - [ -0.0014463700000000, 0.0000542700000000, -0.0010304300000000 ] - [ -0.0002476000000000, -0.0010129400000000, -0.0002498000000000 ] - [ -0.0007639800000000, 0.0006333200000000, -0.0009916700000000 ] - [ -0.0001397300000000, 0.0000217600000000, 0.0000609700000000 ] - [ 0.0003971900000000, 0.0003983800000000, -0.0007070900000000 ] - [ 0.0001940300000000, 0.0000548800000000, -0.0003017800000000 ] - [ -0.0006123500000000, 0.0004244200000000, 0.0001582700000000 ] - [ -0.0001246000000000, -0.0001105200000000, 0.0000562300000000 ] - [ 0.0011683900000000, 0.0000664900000000, -0.0008289600000000 ] - [ 0.0002478600000000, 0.0001173000000000, -0.0010869300000000 ] - [ -0.0054940500000000, 0.0012239700000000, -0.0093212700000000 ] - [ -0.0003338400000000, 0.0002445800000000, -0.0002154400000000 ] - [ 0.0003716900000000, -0.0008240400000000, 0.0001341400000000 ] - [ 0.0001748400000000, 0.0004418500000000, -0.0000272500000000 ] - [ 0.0033797700000000, -0.0010858500000000, 0.0064513200000000 ] - [ -0.0001798200000000, 0.0004713500000000, -0.0001731800000000 ] - [ -0.0006879200000000, 0.0005361500000000, -0.0028516700000000 ] - [ 0.0014136200000000, -0.0040035800000000, -0.0061720800000000 ]- atom: 59 displacement: [ 0.0053126970990986, 0.0000000000000000, -0.0084720274747683 ] forces: - [ 0.0142278400000000, -0.0000354800000000, -0.0159193900000000 ] - [ 0.0007787800000000, -0.0003634500000000, -0.0004904300000000 ] - [ 0.0102606900000000, 0.0036356000000000, -0.0137716600000000 ] - [ 0.0021168100000000, -0.0031577000000000, -0.0018428400000000 ] - [ -0.0014590700000000, -0.0059789400000000, 0.0048470200000000 ] - [ 0.0005809600000000, 0.0005981800000000, 0.0009153200000000 ] - [ -0.0068314000000000, 0.0034659700000000, 0.0036124000000000 ] - [ 0.0000347800000000, -0.0009105400000000, 0.0010164500000000 ] - [ 0.0372375300000000, -0.0021653600000000, -0.0181985900000000 ] - [ 0.0000018400000000, -0.0003689100000000, -0.0003973800000000 ] - [ -0.0054025900000000, 0.0034196600000000, 0.0109899400000000 ] - [ -0.0004736200000000, -0.0001733700000000, 0.0012430600000000 ] - [ 0.0346533200000000, 0.0214658800000000, -0.0324782500000000 ] - [ -0.0001369200000000, 0.0010983500000000, -0.0006474700000000 ] - [ 0.0010788200000000, 0.0018859400000000, 0.0078084600000000 ] - [ -0.0007513000000000, -0.0013215200000000, 0.0010612200000000 ] - [ -0.0001445600000000, -0.0004514500000000, 0.0012034800000000 ] - [ 0.0001266700000000, 0.0004910100000000, 0.0013151900000000 ] - [ -0.0018930700000000, 0.0001547500000000, 0.0001945700000000 ] - [ -0.0005074500000000, -0.0006801700000000, 0.0002731400000000 ] - [ -0.0000548900000000, -0.0004828500000000, -0.0002612700000000 ] - [ 0.0001462900000000, -0.0006516400000000, -0.0001675400000000 ] - [ 0.0005535800000000, 0.0011802200000000, -0.0028268100000000 ] - [ 0.0008444300000000, -0.0002651200000000, -0.0006082200000000 ] - [ -0.0014272600000000, 0.0008210100000000, -0.0010712600000000 ] - [ -0.0016037900000000, -0.0006038000000000, -0.0009547700000000 ] - [ 0.0007153900000000, 0.0006099600000000, -0.0005122900000000 ] - [ 0.0001716600000000, 0.0006809100000000, -0.0003868700000000 ] - [ -0.0006676500000000, -0.0001785100000000, -0.0006163800000000 ] - [ -0.0006214200000000, 0.0009250700000000, -0.0003777200000000 ] - [ -0.0003018400000000, 0.0014993600000000, 0.0010963300000000 ] - [ -0.0006400200000000, -0.0005165500000000, -0.0000781600000000 ] - [ -0.0012197400000000, -0.0020439900000000, 0.0027372700000000 ] - [ -0.0003901600000000, 0.0000251100000000, 0.0006192100000000 ] - [ -0.0042561400000000, -0.0040310900000000, 0.0018485200000000 ] - [ -0.0006354000000000, 0.0003041900000000, 0.0006241700000000 ] - [ -0.0024405900000000, -0.0043247900000000, 0.0005406700000000 ] - [ -0.0010201300000000, 0.0037775100000000, 0.0012166900000000 ] - [ -0.0056905300000000, -0.0012563700000000, 0.0000756800000000 ] - [ -0.0003383900000000, 0.0000376100000000, -0.0001693200000000 ] - [ 0.0032709300000000, -0.0011653800000000, 0.0064557600000000 ] - [ 0.0006545600000000, 0.0006428500000000, 0.0018018400000000 ] - [ 0.0047294300000000, -0.0027633700000000, -0.0033455900000000 ] - [ 0.0012058000000000, 0.0000738300000000, -0.0010442200000000 ] - [ -0.0037036200000000, 0.0011787300000000, -0.0008215500000000 ] - [ -0.0001577100000000, -0.0000501200000000, 0.0002886200000000 ] - [ 0.0022255000000000, -0.0028422700000000, -0.0032794800000000 ] - [ 0.0004567200000000, 0.0007607800000000, -0.0050154000000000 ] - [ 0.0003443700000000, -0.0000549300000000, -0.0006679700000000 ] - [ 0.0000995300000000, -0.0001459800000000, 0.0002479800000000 ] - [ -0.0014814200000000, -0.0044823700000000, 0.0004156100000000 ] - [ -0.0001755900000000, 0.0004652800000000, 0.0002661500000000 ] - [ -0.0040489600000000, 0.0073647500000000, -0.0006749700000000 ] - [ -0.0006283500000000, 0.0004434500000000, 0.0012812900000000 ] - [ 0.0023711900000000, -0.0000788400000000, -0.0006624600000000 ] - [ 0.0007573800000000, -0.0002580700000000, -0.0003610900000000 ] - [ 0.0013704400000000, -0.0000137200000000, -0.0026721300000000 ] - [ -0.0000235200000000, -0.0002107100000000, -0.0002838800000000 ] - [ -0.1261297800000000, -0.0199230200000000, 0.1164561600000000 ] - [ -0.0005780500000000, 0.0000566300000000, 0.0004368000000000 ] - [ 0.0092080900000000, 0.0007454400000000, -0.0254704000000000 ] - [ -0.0002327600000000, -0.0000405700000000, -0.0000266200000000 ] - [ 0.0001704400000000, 0.0002414400000000, -0.0028474800000000 ] - [ 0.0002872500000000, 0.0005065200000000, -0.0015457800000000 ] - [ 0.0011362200000000, -0.0006027800000000, 0.0001749900000000 ] - [ 0.0014288900000000, 0.0020593700000000, -0.0000957700000000 ] - [ 0.0040018600000000, 0.0118950000000000, 0.0005978800000000 ] - [ -0.0008093000000000, -0.0011583300000000, 0.0002330100000000 ] - [ 0.0103022700000000, -0.0017027300000000, -0.0071957000000000 ] - [ 0.0000658500000000, 0.0001221800000000, -0.0003451500000000 ] - [ 0.0014211600000000, -0.0058534700000000, 0.0030349100000000 ] - [ -0.0001560000000000, 0.0008763800000000, 0.0009447300000000 ] - [ 0.0004574100000000, 0.0020313900000000, -0.0009741000000000 ] - [ 0.0002385000000000, -0.0024669200000000, -0.0007748600000000 ] - [ 0.0032109400000000, 0.0013907200000000, -0.0056836900000000 ] - [ 0.0004204700000000, 0.0002177400000000, -0.0007563200000000 ] - [ 0.0134342300000000, -0.0168499600000000, -0.0153024000000000 ] - [ 0.0002613600000000, 0.0010431900000000, 0.0000284500000000 ] - [ 0.0098812900000000, -0.0005015000000000, -0.0087252400000000 ] - [ 0.0005111500000000, 0.0004091100000000, -0.0003122500000000 ] - [ 0.0015183200000000, 0.0008969300000000, 0.0000448200000000 ] - [ 0.0009491300000000, -0.0005274000000000, -0.0000026800000000 ] - [ 0.0008720400000000, 0.0003116900000000, -0.0063360500000000 ] - [ 0.0004123700000000, -0.0002332900000000, -0.0005817300000000 ] - [ -0.0003202500000000, 0.0001731000000000, -0.0012206400000000 ] - [ -0.0001902700000000, 0.0013977400000000, -0.0023039900000000 ] - [ 0.0012933600000000, 0.0001821100000000, -0.0001113000000000 ] - [ 0.0002583400000000, -0.0001080500000000, -0.0003692900000000 ] - [ -0.0040375600000000, 0.0068668900000000, -0.0033913600000000 ] - [ -0.0004224800000000, -0.0018991000000000, -0.0007457000000000 ] - [ 0.0005160000000000, 0.0004034400000000, -0.0021918200000000 ] - [ 0.0000300000000000, -0.0005117500000000, -0.0004451900000000 ] - [ 0.0013924700000000, -0.0006478300000000, -0.0003426600000000 ] - [ -0.0000416600000000, 0.0001382900000000, -0.0001606200000000 ] - [ -0.0045188900000000, -0.0021616700000000, -0.0022348600000000 ] - [ -0.0008660700000000, 0.0005149100000000, -0.0002085500000000 ] - [ -0.0024230900000000, -0.0004107700000000, -0.0003359900000000 ] - [ -0.0008796500000000, -0.0003729500000000, -0.0000062400000000 ] - [ 0.0007590500000000, 0.0000013700000000, -0.0002411700000000 ] - [ 0.0007271700000000, -0.0002316100000000, -0.0002578100000000 ] - [ 0.0001641700000000, -0.0001411500000000, 0.0002404100000000 ] - [ 0.0002195100000000, -0.0001756500000000, 0.0002726100000000 ] - [ -0.0005391700000000, 0.0001771000000000, 0.0007164300000000 ] - [ -0.0001653700000000, -0.0001013200000000, -0.0001672500000000 ] - [ 0.0013108700000000, 0.0021875100000000, 0.0069882200000000 ] - [ -0.0001247600000000, 0.0009250200000000, 0.0004182800000000 ] - [ 0.0017120900000000, 0.0004574700000000, 0.0001150000000000 ] - [ 0.0003938200000000, -0.0000489100000000, 0.0000421000000000 ] - [ -0.0008835300000000, 0.0004316000000000, 0.0007719200000000 ] - [ -0.0002852200000000, -0.0006774800000000, 0.0005832300000000 ] - [ 0.0012615600000000, -0.0013775000000000, 0.0008712900000000 ] - [ 0.0000616000000000, -0.0003089700000000, 0.0001123500000000 ] - [ 0.0006127700000000, -0.0005352500000000, 0.0015096500000000 ] - [ -0.0000237200000000, 0.0000744500000000, 0.0004431200000000 ] - [ -0.0003742200000000, -0.0000550200000000, 0.0005331600000000 ] - [ -0.0001713400000000, 0.0002882300000000, 0.0001281100000000 ] - [ 0.0005948000000000, -0.0000811000000000, 0.0000185600000000 ] - [ 0.0001050200000000, 0.0004569000000000, 0.0001227300000000 ] - [ -0.0006164600000000, 0.0003438600000000, 0.0005877500000000 ] - [ 0.0002769500000000, 0.0002870500000000, 0.0008406300000000 ] - [ 0.0050317000000000, -0.0007847500000000, 0.0095031900000000 ] - [ -0.0001665100000000, 0.0001500100000000, 0.0004663500000000 ] - [ -0.0000713100000000, 0.0008105500000000, -0.0002416800000000 ] - [ 0.0001357500000000, -0.0004730800000000, -0.0000906200000000 ] - [ -0.0035518900000000, 0.0024128200000000, -0.0065742600000000 ] - [ -0.0000102900000000, 0.0008470700000000, 0.0000351700000000 ] - [ 0.0008685700000000, -0.0004752300000000, 0.0023415000000000 ] - [ -0.0012133400000000, 0.0041292200000000, 0.0056129900000000 ]