# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a8bfb4a5-59d2-43db-a000-44bead81776a/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 Re3(TeBr)7 / R-3 (148) / materials id 623087](https://mdr.nims.go.jp/datasets/8e40a7b4-8244-43c6-a1f4-ae8e5af1fbde) ## 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: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.105634076666671, 2.947739216666664, 11.538244816666655 ] # a - [ -5.105634083333328, 2.947739206666664, 11.538244816666655 ] # b - [ 0.000000006666672, -5.895478423333336, 11.538244816666655 ] # c points: - symbol: Re # 1 coordinates: [ 0.168193350000000, 0.867937130000002, 0.059772990000000 ] mass: 186.207000 - symbol: Re # 2 coordinates: [ 0.940227010000000, 0.831806650000003, 0.132062880000000 ] mass: 186.207000 - symbol: Re # 3 coordinates: [ 0.831806660000000, 0.132062870000003, 0.940227010000000 ] mass: 186.207000 - symbol: Re # 4 coordinates: [ 0.059772990000000, 0.168193360000002, 0.867937120000000 ] mass: 186.207000 - symbol: Re # 5 coordinates: [ 0.132062880000000, 0.940227000000003, 0.831806660000000 ] mass: 186.207000 - symbol: Re # 6 coordinates: [ 0.867937120000000, 0.059773000000002, 0.168193350000000 ] mass: 186.207000 - symbol: Te # 7 coordinates: [ 0.758194680000000, 0.359578290000002, 0.977053860000000 ] mass: 127.600000 - symbol: Te # 8 coordinates: [ 0.407758060000000, 0.679290410000002, 0.136268780000000 ] mass: 127.600000 - symbol: Te # 9 coordinates: [ 0.022946140000000, 0.241805310000003, 0.640421730000000 ] mass: 127.600000 - symbol: Te # 10 coordinates: [ 0.679290410000000, 0.136268780000002, 0.407758060000000 ] mass: 127.600000 - symbol: Te # 11 coordinates: [ 0.359578270000000, 0.977053880000002, 0.758194680000000 ] mass: 127.600000 - symbol: Te # 12 coordinates: [ 0.592241940000000, 0.320709600000003, 0.863731220000000 ] mass: 127.600000 - symbol: Te # 13 coordinates: [ 0.320709600000000, 0.863731220000003, 0.592241940000000 ] mass: 127.600000 - symbol: Te # 14 coordinates: [ 0.904804680000000, 0.904804680000003, 0.904804680000000 ] mass: 127.600000 - symbol: Te # 15 coordinates: [ 0.863731220000000, 0.592241940000003, 0.320709600000000 ] mass: 127.600000 - symbol: Te # 16 coordinates: [ 0.241805320000000, 0.640421720000003, 0.022946140000000 ] mass: 127.600000 - symbol: Te # 17 coordinates: [ 0.136268780000000, 0.407758060000002, 0.679290410000000 ] mass: 127.600000 - symbol: Te # 18 coordinates: [ 0.640421730000000, 0.022946130000003, 0.241805320000000 ] mass: 127.600000 - symbol: Te # 19 coordinates: [ 0.095195310000000, 0.095195320000002, 0.095195310000000 ] mass: 127.600000 - symbol: Te # 20 coordinates: [ 0.977053860000000, 0.758194700000002, 0.359578270000000 ] mass: 127.600000 - symbol: Br # 21 coordinates: [ 0.294643160000000, 0.624179590000003, 0.701110790000000 ] mass: 79.904000 - symbol: Br # 22 coordinates: [ 0.705356850000000, 0.375820410000002, 0.298889210000000 ] mass: 79.904000 - symbol: Br # 23 coordinates: [ 0.961938620000000, 0.551709710000003, 0.853093850000000 ] mass: 79.904000 - symbol: Br # 24 coordinates: [ 0.636989340000000, 0.636989330000003, 0.636989340000000 ] mass: 79.904000 - symbol: Br # 25 coordinates: [ 0.551709710000000, 0.853093850000002, 0.961938620000000 ] mass: 79.904000 - symbol: Br # 26 coordinates: [ 0.448290300000000, 0.146906140000003, 0.038061390000000 ] mass: 79.904000 - symbol: Br # 27 coordinates: [ 0.363010670000000, 0.363010660000002, 0.363010670000000 ] mass: 79.904000 - symbol: Br # 28 coordinates: [ 0.853093850000000, 0.961938620000002, 0.551709710000000 ] mass: 79.904000 - symbol: Br # 29 coordinates: [ 0.146906160000000, 0.038061370000003, 0.448290300000000 ] mass: 79.904000 - symbol: Br # 30 coordinates: [ 0.624179590000000, 0.701110790000002, 0.294643160000000 ] mass: 79.904000 - symbol: Br # 31 coordinates: [ 0.375820410000000, 0.298889210000002, 0.705356850000000 ] mass: 79.904000 - symbol: Br # 32 coordinates: [ 0.298889210000000, 0.705356850000002, 0.375820410000000 ] mass: 79.904000 - symbol: Br # 33 coordinates: [ 0.701110790000000, 0.294643160000002, 0.624179590000000 ] mass: 79.904000 - symbol: Br # 34 coordinates: [ 0.038061390000000, 0.448290280000003, 0.146906160000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.097931029110746, 0.056540506138896, 0.028889431506241 ] # a* - [ -0.097931029221488, 0.056540505917413, 0.028889431506241 ] # b* - [ 0.000000000110741, -0.113081012056309, 0.028889431506241 ] # c*unit_cell: lattice: - [ 10.211268159999999, 0.000000010000000, 0.000000000000000 ] # a - [ -5.105634090000000, 8.843217630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 34.614734450000000 ] # c points: - symbol: Re # 1 coordinates: [ 0.469558860000000, 0.638861500000000, 0.698634490000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.972194830000000, 0.835969300000000, 0.968032180000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 3 coordinates: [ 0.863774480000000, 0.027805170000000, 0.968032180000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 4 coordinates: [ 0.361138500000000, 0.830697370000000, 0.698634490000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 5 coordinates: [ 0.164030700000000, 0.136225520000000, 0.968032180000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 6 coordinates: [ 0.169302630000000, 0.530441140000000, 0.698634490000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 7 coordinates: [ 0.136225520000000, 0.972194830000000, 0.031967820000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 8 coordinates: [ 0.638861500000000, 0.169302630000000, 0.301365510000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 9 coordinates: [ 0.530441140000000, 0.361138500000000, 0.301365510000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 10 coordinates: [ 0.027805170000000, 0.164030700000000, 0.031967820000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 11 coordinates: [ 0.830697370000000, 0.469558860000000, 0.301365510000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 12 coordinates: [ 0.835969300000000, 0.863774480000000, 0.031967820000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 13 coordinates: [ 0.802892190000000, 0.305528160000000, 0.365301150000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 14 coordinates: [ 0.305528160000000, 0.502635970000000, 0.634698850000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 15 coordinates: [ 0.197107810000000, 0.694471840000000, 0.634698850000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 16 coordinates: [ 0.694471840000000, 0.497364030000000, 0.365301150000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 17 coordinates: [ 0.497364030000000, 0.802892190000000, 0.634698850000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 18 coordinates: [ 0.502635970000000, 0.197107810000000, 0.365301150000000 ] mass: 186.207000 reduced_to: 6 - symbol: Te # 19 coordinates: [ 0.059919070000000, 0.721221750000000, 0.698275610000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 20 coordinates: [ 0.666652310000000, 0.604836970000000, 0.741105750000000 ] mass: 127.600000 reduced_to: 20 - symbol: Te # 21 coordinates: [ 0.054555080000000, 0.327969330000000, 0.968391060000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 22 coordinates: [ 0.938184660000000, 0.333347690000000, 0.741105750000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 23 coordinates: [ 0.661302660000000, 0.940080930000000, 0.698275610000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 24 coordinates: [ 0.666681020000000, 0.061829700000000, 0.925560920000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 25 coordinates: [ 0.395148680000000, 0.333318980000000, 0.925560920000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.904804680000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 27 coordinates: [ 0.938170300000000, 0.604851320000000, 0.925560920000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 28 coordinates: [ 0.273414260000000, 0.945444920000000, 0.968391060000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 29 coordinates: [ 0.395163030000000, 0.061815340000000, 0.741105750000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 30 coordinates: [ 0.672030670000000, 0.726585740000000, 0.968391060000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.761861980000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 32 coordinates: [ 0.278778250000000, 0.338697340000000, 0.698275610000000 ] mass: 127.600000 reduced_to: 32 - symbol: Te # 33 coordinates: [ 0.726585740000000, 0.054555080000000, 0.031608940000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 34 coordinates: [ 0.333318980000000, 0.938170300000000, 0.074439080000000 ] mass: 127.600000 reduced_to: 20 - symbol: Te # 35 coordinates: [ 0.721221750000000, 0.661302660000000, 0.301724390000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 36 coordinates: [ 0.604851320000000, 0.666681020000000, 0.074439080000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 37 coordinates: [ 0.327969330000000, 0.273414260000000, 0.031608940000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 38 coordinates: [ 0.333347690000000, 0.395163030000000, 0.258894250000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 39 coordinates: [ 0.061815340000000, 0.666652310000000, 0.258894250000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 40 coordinates: [ 0.666666670000000, 0.333333330000000, 0.238138020000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 41 coordinates: [ 0.604836970000000, 0.938184660000000, 0.258894250000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 42 coordinates: [ 0.940080930000000, 0.278778250000000, 0.301724390000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 43 coordinates: [ 0.061829700000000, 0.395148680000000, 0.074439080000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 44 coordinates: [ 0.338697340000000, 0.059919070000000, 0.301724390000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.095195320000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 46 coordinates: [ 0.945444920000000, 0.672030670000000, 0.031608940000000 ] mass: 127.600000 reduced_to: 32 - symbol: Te # 47 coordinates: [ 0.393252400000000, 0.387888410000000, 0.364942280000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 48 coordinates: [ 0.999985650000000, 0.271503630000000, 0.407772410000000 ] mass: 127.600000 reduced_to: 20 - symbol: Te # 49 coordinates: [ 0.387888410000000, 0.994636000000000, 0.635057720000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 50 coordinates: [ 0.271517990000000, 0.000014350000000, 0.407772410000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 51 coordinates: [ 0.994636000000000, 0.606747600000000, 0.364942280000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 52 coordinates: [ 0.000014350000000, 0.728496370000000, 0.592227590000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 53 coordinates: [ 0.728482010000000, 0.999985650000000, 0.592227590000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.571471350000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 55 coordinates: [ 0.271503630000000, 0.271517990000000, 0.592227590000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 56 coordinates: [ 0.606747600000000, 0.612111590000000, 0.635057720000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 57 coordinates: [ 0.728496370000000, 0.728482010000000, 0.407772410000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 58 coordinates: [ 0.005364000000000, 0.393252400000000, 0.635057720000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 59 coordinates: [ 0.666666670000000, 0.333333330000000, 0.428528650000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 60 coordinates: [ 0.612111590000000, 0.005364000000000, 0.364942280000000 ] mass: 127.600000 reduced_to: 32 - symbol: Br # 61 coordinates: [ 0.421331980000000, 0.172200390000000, 0.873311180000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 62 coordinates: [ 0.912001360000000, 0.494466280000000, 0.793355490000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 63 coordinates: [ 0.173024560000000, 0.935820210000000, 0.788914060000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 64 coordinates: [ 0.666666670000000, 0.333333330000000, 0.970322670000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 65 coordinates: [ 0.762795650000000, 0.826975440000000, 0.788914060000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.570537690000000, 0.839691220000000, 0.877752610000000 ] mass: 79.904000 reduced_to: 66 - symbol: Br # 67 coordinates: [ 0.666666670000000, 0.333333330000000, 0.696344000000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 68 coordinates: [ 0.064179790000000, 0.237204350000000, 0.788914060000000 ] mass: 79.904000 reduced_to: 68 - symbol: Br # 69 coordinates: [ 0.269153550000000, 0.429462310000000, 0.877752610000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 70 coordinates: [ 0.750868410000000, 0.578668020000000, 0.873311180000000 ] mass: 79.904000 reduced_to: 70 - symbol: Br # 71 coordinates: [ 0.582464920000000, 0.087998640000000, 0.793355490000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 72 coordinates: [ 0.505533720000000, 0.417535080000000, 0.793355490000000 ] mass: 79.904000 reduced_to: 72 - symbol: Br # 73 coordinates: [ 0.827799610000000, 0.249131590000000, 0.873311180000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 74 coordinates: [ 0.160308780000000, 0.730846450000000, 0.877752610000000 ] mass: 79.904000 reduced_to: 74 - symbol: Br # 75 coordinates: [ 0.087998640000000, 0.505533720000000, 0.206644510000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 76 coordinates: [ 0.578668020000000, 0.827799610000000, 0.126688820000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 77 coordinates: [ 0.839691220000000, 0.269153550000000, 0.122247390000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 78 coordinates: [ 0.333333330000000, 0.666666670000000, 0.303656000000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 79 coordinates: [ 0.429462310000000, 0.160308780000000, 0.122247390000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 80 coordinates: [ 0.237204350000000, 0.173024560000000, 0.211085940000000 ] mass: 79.904000 reduced_to: 66 - symbol: Br # 81 coordinates: [ 0.333333330000000, 0.666666670000000, 0.029677330000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 82 coordinates: [ 0.730846450000000, 0.570537690000000, 0.122247390000000 ] mass: 79.904000 reduced_to: 68 - symbol: Br # 83 coordinates: [ 0.935820210000000, 0.762795650000000, 0.211085940000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 84 coordinates: [ 0.417535080000000, 0.912001360000000, 0.206644510000000 ] mass: 79.904000 reduced_to: 70 - symbol: Br # 85 coordinates: [ 0.249131590000000, 0.421331980000000, 0.126688820000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 86 coordinates: [ 0.172200390000000, 0.750868410000000, 0.126688820000000 ] mass: 79.904000 reduced_to: 72 - symbol: Br # 87 coordinates: [ 0.494466280000000, 0.582464920000000, 0.206644510000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 88 coordinates: [ 0.826975440000000, 0.064179790000000, 0.211085940000000 ] mass: 79.904000 reduced_to: 74 - symbol: Br # 89 coordinates: [ 0.754665310000000, 0.838867060000000, 0.539977850000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 90 coordinates: [ 0.245334690000000, 0.161132940000000, 0.460022150000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 91 coordinates: [ 0.506357890000000, 0.602486880000000, 0.455580730000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 92 coordinates: [ 0.000000000000000, 0.000000000000000, 0.636989340000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 93 coordinates: [ 0.096128980000000, 0.493642110000000, 0.455580730000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 94 coordinates: [ 0.903871020000000, 0.506357890000000, 0.544419270000000 ] mass: 79.904000 reduced_to: 66 - symbol: Br # 95 coordinates: [ 0.000000000000000, 0.000000000000000, 0.363010660000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 96 coordinates: [ 0.397513120000000, 0.903871020000000, 0.455580730000000 ] mass: 79.904000 reduced_to: 68 - symbol: Br # 97 coordinates: [ 0.602486880000000, 0.096128980000000, 0.544419270000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 98 coordinates: [ 0.084201750000000, 0.245334690000000, 0.539977850000000 ] mass: 79.904000 reduced_to: 70 - symbol: Br # 99 coordinates: [ 0.915798250000000, 0.754665310000000, 0.460022150000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 100 coordinates: [ 0.838867060000000, 0.084201750000000, 0.460022150000000 ] mass: 79.904000 reduced_to: 72 - symbol: Br # 101 coordinates: [ 0.161132940000000, 0.915798250000000, 0.539977850000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 102 coordinates: [ 0.493642110000000, 0.397513120000000, 0.544419270000000 ] mass: 79.904000 reduced_to: 74supercell: lattice: - [ 10.211268159999999, 0.000000010000000, 0.000000000000000 ] # a - [ -5.105634090000000, 8.843217630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 34.614734450000000 ] # c points: - symbol: Re # 1 coordinates: [ 0.469558860000000, 0.638861500000000, 0.698634490000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.972194830000000, 0.835969300000000, 0.968032180000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 3 coordinates: [ 0.863774480000000, 0.027805170000000, 0.968032180000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 4 coordinates: [ 0.361138500000000, 0.830697370000000, 0.698634490000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 5 coordinates: [ 0.164030700000000, 0.136225520000000, 0.968032180000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 6 coordinates: [ 0.169302630000000, 0.530441140000000, 0.698634490000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 7 coordinates: [ 0.136225520000000, 0.972194830000000, 0.031967820000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 8 coordinates: [ 0.638861500000000, 0.169302630000000, 0.301365510000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 9 coordinates: [ 0.530441140000000, 0.361138500000000, 0.301365510000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 10 coordinates: [ 0.027805170000000, 0.164030700000000, 0.031967820000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 11 coordinates: [ 0.830697370000000, 0.469558860000000, 0.301365510000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 12 coordinates: [ 0.835969300000000, 0.863774480000000, 0.031967820000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 13 coordinates: [ 0.802892190000000, 0.305528160000000, 0.365301150000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 14 coordinates: [ 0.305528160000000, 0.502635970000000, 0.634698850000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 15 coordinates: [ 0.197107810000000, 0.694471840000000, 0.634698850000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 16 coordinates: [ 0.694471840000000, 0.497364030000000, 0.365301150000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 17 coordinates: [ 0.497364030000000, 0.802892190000000, 0.634698850000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 18 coordinates: [ 0.502635970000000, 0.197107810000000, 0.365301150000000 ] mass: 186.207000 reduced_to: 6 - symbol: Te # 19 coordinates: [ 0.059919070000000, 0.721221750000000, 0.698275610000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 20 coordinates: [ 0.666652310000000, 0.604836970000000, 0.741105750000000 ] mass: 127.600000 reduced_to: 20 - symbol: Te # 21 coordinates: [ 0.054555080000000, 0.327969330000000, 0.968391060000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 22 coordinates: [ 0.938184660000000, 0.333347690000000, 0.741105750000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 23 coordinates: [ 0.661302660000000, 0.940080930000000, 0.698275610000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 24 coordinates: [ 0.666681020000000, 0.061829700000000, 0.925560920000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 25 coordinates: [ 0.395148680000000, 0.333318980000000, 0.925560920000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.904804680000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 27 coordinates: [ 0.938170300000000, 0.604851320000000, 0.925560920000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 28 coordinates: [ 0.273414260000000, 0.945444920000000, 0.968391060000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 29 coordinates: [ 0.395163030000000, 0.061815340000000, 0.741105750000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 30 coordinates: [ 0.672030670000000, 0.726585740000000, 0.968391060000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.761861980000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 32 coordinates: [ 0.278778250000000, 0.338697340000000, 0.698275610000000 ] mass: 127.600000 reduced_to: 32 - symbol: Te # 33 coordinates: [ 0.726585740000000, 0.054555080000000, 0.031608940000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 34 coordinates: [ 0.333318980000000, 0.938170300000000, 0.074439080000000 ] mass: 127.600000 reduced_to: 20 - symbol: Te # 35 coordinates: [ 0.721221750000000, 0.661302660000000, 0.301724390000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 36 coordinates: [ 0.604851320000000, 0.666681020000000, 0.074439080000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 37 coordinates: [ 0.327969330000000, 0.273414260000000, 0.031608940000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 38 coordinates: [ 0.333347690000000, 0.395163030000000, 0.258894250000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 39 coordinates: [ 0.061815340000000, 0.666652310000000, 0.258894250000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 40 coordinates: [ 0.666666670000000, 0.333333330000000, 0.238138020000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 41 coordinates: [ 0.604836970000000, 0.938184660000000, 0.258894250000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 42 coordinates: [ 0.940080930000000, 0.278778250000000, 0.301724390000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 43 coordinates: [ 0.061829700000000, 0.395148680000000, 0.074439080000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 44 coordinates: [ 0.338697340000000, 0.059919070000000, 0.301724390000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.095195320000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 46 coordinates: [ 0.945444920000000, 0.672030670000000, 0.031608940000000 ] mass: 127.600000 reduced_to: 32 - symbol: Te # 47 coordinates: [ 0.393252400000000, 0.387888410000000, 0.364942280000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 48 coordinates: [ 0.999985650000000, 0.271503630000000, 0.407772410000000 ] mass: 127.600000 reduced_to: 20 - symbol: Te # 49 coordinates: [ 0.387888410000000, 0.994636000000000, 0.635057720000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 50 coordinates: [ 0.271517990000000, 0.000014350000000, 0.407772410000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 51 coordinates: [ 0.994636000000000, 0.606747600000000, 0.364942280000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 52 coordinates: [ 0.000014350000000, 0.728496370000000, 0.592227590000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 53 coordinates: [ 0.728482010000000, 0.999985650000000, 0.592227590000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.571471350000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 55 coordinates: [ 0.271503630000000, 0.271517990000000, 0.592227590000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 56 coordinates: [ 0.606747600000000, 0.612111590000000, 0.635057720000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 57 coordinates: [ 0.728496370000000, 0.728482010000000, 0.407772410000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 58 coordinates: [ 0.005364000000000, 0.393252400000000, 0.635057720000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 59 coordinates: [ 0.666666670000000, 0.333333330000000, 0.428528650000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 60 coordinates: [ 0.612111590000000, 0.005364000000000, 0.364942280000000 ] mass: 127.600000 reduced_to: 32 - symbol: Br # 61 coordinates: [ 0.421331980000000, 0.172200390000000, 0.873311180000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 62 coordinates: [ 0.912001360000000, 0.494466280000000, 0.793355490000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 63 coordinates: [ 0.173024560000000, 0.935820210000000, 0.788914060000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 64 coordinates: [ 0.666666670000000, 0.333333330000000, 0.970322670000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 65 coordinates: [ 0.762795650000000, 0.826975440000000, 0.788914060000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.570537690000000, 0.839691220000000, 0.877752610000000 ] mass: 79.904000 reduced_to: 66 - symbol: Br # 67 coordinates: [ 0.666666670000000, 0.333333330000000, 0.696344000000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 68 coordinates: [ 0.064179790000000, 0.237204350000000, 0.788914060000000 ] mass: 79.904000 reduced_to: 68 - symbol: Br # 69 coordinates: [ 0.269153550000000, 0.429462310000000, 0.877752610000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 70 coordinates: [ 0.750868410000000, 0.578668020000000, 0.873311180000000 ] mass: 79.904000 reduced_to: 70 - symbol: Br # 71 coordinates: [ 0.582464920000000, 0.087998640000000, 0.793355490000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 72 coordinates: [ 0.505533720000000, 0.417535080000000, 0.793355490000000 ] mass: 79.904000 reduced_to: 72 - symbol: Br # 73 coordinates: [ 0.827799610000000, 0.249131590000000, 0.873311180000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 74 coordinates: [ 0.160308780000000, 0.730846450000000, 0.877752610000000 ] mass: 79.904000 reduced_to: 74 - symbol: Br # 75 coordinates: [ 0.087998640000000, 0.505533720000000, 0.206644510000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 76 coordinates: [ 0.578668020000000, 0.827799610000000, 0.126688820000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 77 coordinates: [ 0.839691220000000, 0.269153550000000, 0.122247390000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 78 coordinates: [ 0.333333330000000, 0.666666670000000, 0.303656000000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 79 coordinates: [ 0.429462310000000, 0.160308780000000, 0.122247390000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 80 coordinates: [ 0.237204350000000, 0.173024560000000, 0.211085940000000 ] mass: 79.904000 reduced_to: 66 - symbol: Br # 81 coordinates: [ 0.333333330000000, 0.666666670000000, 0.029677330000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 82 coordinates: [ 0.730846450000000, 0.570537690000000, 0.122247390000000 ] mass: 79.904000 reduced_to: 68 - symbol: Br # 83 coordinates: [ 0.935820210000000, 0.762795650000000, 0.211085940000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 84 coordinates: [ 0.417535080000000, 0.912001360000000, 0.206644510000000 ] mass: 79.904000 reduced_to: 70 - symbol: Br # 85 coordinates: [ 0.249131590000000, 0.421331980000000, 0.126688820000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 86 coordinates: [ 0.172200390000000, 0.750868410000000, 0.126688820000000 ] mass: 79.904000 reduced_to: 72 - symbol: Br # 87 coordinates: [ 0.494466280000000, 0.582464920000000, 0.206644510000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 88 coordinates: [ 0.826975440000000, 0.064179790000000, 0.211085940000000 ] mass: 79.904000 reduced_to: 74 - symbol: Br # 89 coordinates: [ 0.754665310000000, 0.838867060000000, 0.539977850000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 90 coordinates: [ 0.245334690000000, 0.161132940000000, 0.460022150000000 ] mass: 79.904000 reduced_to: 62 - symbol: Br # 91 coordinates: [ 0.506357890000000, 0.602486880000000, 0.455580730000000 ] mass: 79.904000 reduced_to: 63 - symbol: Br # 92 coordinates: [ 0.000000000000000, 0.000000000000000, 0.636989340000000 ] mass: 79.904000 reduced_to: 64 - symbol: Br # 93 coordinates: [ 0.096128980000000, 0.493642110000000, 0.455580730000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 94 coordinates: [ 0.903871020000000, 0.506357890000000, 0.544419270000000 ] mass: 79.904000 reduced_to: 66 - symbol: Br # 95 coordinates: [ 0.000000000000000, 0.000000000000000, 0.363010660000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 96 coordinates: [ 0.397513120000000, 0.903871020000000, 0.455580730000000 ] mass: 79.904000 reduced_to: 68 - symbol: Br # 97 coordinates: [ 0.602486880000000, 0.096128980000000, 0.544419270000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 98 coordinates: [ 0.084201750000000, 0.245334690000000, 0.539977850000000 ] mass: 79.904000 reduced_to: 70 - symbol: Br # 99 coordinates: [ 0.915798250000000, 0.754665310000000, 0.460022150000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 100 coordinates: [ 0.838867060000000, 0.084201750000000, 0.460022150000000 ] mass: 79.904000 reduced_to: 72 - symbol: Br # 101 coordinates: [ 0.161132940000000, 0.915798250000000, 0.539977850000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 102 coordinates: [ 0.493642110000000, 0.397513120000000, 0.544419270000000 ] mass: 79.904000 reduced_to: 74displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000097931, 0.0000000000000000 ] forces: - [ -0.2535109400000000, -0.0008795300000000, 0.0140131400000000 ] - [ -0.0000045400000000, -0.0001857400000000, 0.0001103600000000 ] - [ -0.0001691400000000, 0.0001119700000000, -0.0000036000000000 ] - [ 0.0453781000000000, -0.0249282400000000, 0.0064725300000000 ] - [ 0.0001845400000000, 0.0000770200000000, 0.0001019100000000 ] - [ 0.0646277300000000, 0.0136798200000000, 0.0062272600000000 ] - [ 0.0002631900000000, -0.0001585400000000, 0.0001400000000000 ] - [ -0.0000124600000000, -0.0002128000000000, 0.0001254700000000 ] - [ -0.0001594500000000, 0.0001160100000000, 0.0001360900000000 ] - [ -0.0000332200000000, 0.0003269400000000, 0.0001445400000000 ] - [ 0.0001813000000000, 0.0000980600000000, 0.0001313400000000 ] - [ -0.0002752700000000, -0.0001808300000000, 0.0001269900000000 ] - [ 0.0002694400000000, -0.0001370400000000, 0.0001288600000000 ] - [ 0.0170115100000000, 0.0029951700000000, 0.0116472400000000 ] - [ 0.0036341300000000, -0.0004953600000000, 0.0015009900000000 ] - [ -0.0000239000000000, 0.0003357700000000, 0.0001650000000000 ] - [ 0.0125434000000000, -0.0003723200000000, 0.0022955200000000 ] - [ -0.0002739100000000, -0.0001789000000000, 0.0001480600000000 ] - [ 0.0032083900000000, -0.0007071400000000, -0.0015146800000000 ] - [ 0.0511712400000000, -0.0067827700000000, 0.0243292400000000 ] - [ 0.0002449000000000, -0.0001737500000000, 0.0001496500000000 ] - [ 0.0002326700000000, 0.0022477000000000, 0.0008907400000000 ] - [ -0.0009338700000000, 0.0064472100000000, -0.0011713600000000 ] - [ -0.0004269900000000, -0.0001356000000000, -0.0004388100000000 ] - [ 0.0003069100000000, 0.0000803800000000, -0.0007197900000000 ] - [ -0.0000292600000000, -0.0000073800000000, 0.0001571300000000 ] - [ -0.0002663900000000, -0.0005021200000000, -0.0003658400000000 ] - [ -0.0002429000000000, -0.0000513900000000, 0.0001442000000000 ] - [ 0.0019114000000000, -0.0011513700000000, 0.0001831900000000 ] - [ 0.0000423700000000, 0.0002796000000000, 0.0001293600000000 ] - [ 0.0299406800000000, -0.0036834400000000, -0.0358891000000000 ] - [ 0.0056847500000000, 0.0168101700000000, -0.0008981200000000 ] - [ 0.0002328700000000, 0.0001065500000000, -0.0002392600000000 ] - [ 0.0002853800000000, -0.0001232900000000, 0.0000207000000000 ] - [ 0.0002145700000000, -0.0001730100000000, 0.0001451800000000 ] - [ -0.0002558800000000, -0.0001923000000000, 0.0000232300000000 ] - [ -0.0000249100000000, -0.0002567400000000, -0.0002472200000000 ] - [ -0.0003526800000000, 0.0001263600000000, -0.0004670700000000 ] - [ 0.0002844400000000, 0.0002387200000000, -0.0004634600000000 ] - [ 0.0000018600000000, -0.0000001800000000, 0.0001647100000000 ] - [ 0.0000653700000000, -0.0003662200000000, -0.0004641400000000 ] - [ -0.0002575900000000, -0.0000965100000000, 0.0001485800000000 ] - [ -0.0000336900000000, 0.0003139900000000, 0.0000188300000000 ] - [ 0.0000462600000000, 0.0002715700000000, 0.0001474200000000 ] - [ 0.0000014000000000, 0.0000007200000000, -0.0002322400000000 ] - [ -0.0002099900000000, 0.0001614100000000, -0.0002427700000000 ] - [ 0.0002439200000000, 0.0000989300000000, -0.0002576700000000 ] - [ 0.0002691100000000, -0.0001553600000000, 0.0000898500000000 ] - [ 0.0002153500000000, -0.0018919100000000, -0.0007840600000000 ] - [ -0.0002707500000000, -0.0001625000000000, 0.0000420400000000 ] - [ -0.0000260900000000, -0.0002689900000000, -0.0002601900000000 ] - [ -0.0009531500000000, 0.0002098100000000, -0.0016194100000000 ] - [ -0.0000924300000000, -0.0010188700000000, 0.0005300500000000 ] - [ -0.0015122000000000, 0.0002337700000000, 0.0002039000000000 ] - [ 0.0013075600000000, 0.0014620600000000, 0.0014185400000000 ] - [ 0.0192226800000000, -0.0042373500000000, -0.0344304500000000 ] - [ -0.0000512100000000, 0.0003189800000000, -0.0000185600000000 ] - [ 0.0004421600000000, 0.0029345300000000, -0.0001998200000000 ] - [ 0.0000013600000000, -0.0000025100000000, -0.0002405300000000 ] - [ -0.0002082700000000, 0.0001631200000000, -0.0002580600000000 ] - [ -0.0000221400000000, -0.0001037000000000, 0.0007029100000000 ] - [ 0.0009288500000000, -0.0000123300000000, -0.0005416200000000 ] - [ 0.0002447300000000, -0.0004078300000000, -0.0008705700000000 ] - [ 0.0000218100000000, 0.0000635500000000, -0.0000190000000000 ] - [ 0.0005130800000000, 0.0052346600000000, 0.0044368000000000 ] - [ 0.0002119000000000, 0.0004060800000000, 0.0002514500000000 ] - [ 0.0032195500000000, -0.0023997200000000, -0.0020080200000000 ] - [ -0.0000952700000000, 0.0000751700000000, -0.0004450100000000 ] - [ -0.0000044600000000, -0.0003379000000000, 0.0002223400000000 ] - [ 0.0001349100000000, -0.0000670100000000, 0.0000501100000000 ] - [ 0.0002300000000000, 0.0002068200000000, -0.0000824000000000 ] - [ -0.0020204000000000, -0.0035872900000000, 0.0041959900000000 ] - [ 0.0001040900000000, 0.0000001200000000, 0.0001530800000000 ] - [ -0.0001666900000000, 0.0001928500000000, -0.0001542600000000 ] - [ -0.0000496100000000, -0.0000286200000000, 0.0001817300000000 ] - [ 0.0000105100000000, 0.0000793700000000, -0.0000608300000000 ] - [ 0.0002552300000000, -0.0001376200000000, 0.0000965700000000 ] - [ -0.0000007600000000, -0.0000026700000000, 0.0000275800000000 ] - [ -0.0002436600000000, -0.0001559800000000, 0.0000970400000000 ] - [ 0.0002582300000000, 0.0002633300000000, 0.0001040700000000 ] - [ 0.0000037000000000, 0.0000003100000000, 0.0001276000000000 ] - [ -0.0000124500000000, 0.0002909400000000, 0.0000964700000000 ] - [ 0.0000986000000000, -0.0003567900000000, 0.0001036000000000 ] - [ -0.0000009000000000, 0.0000573700000000, 0.0001805400000000 ] - [ 0.0000681100000000, -0.0000479300000000, -0.0000572500000000 ] - [ -0.0000734500000000, -0.0000315900000000, -0.0000589700000000 ] - [ 0.0000497100000000, -0.0000299800000000, 0.0001809100000000 ] - [ -0.0003588400000000, 0.0000925800000000, 0.0001037600000000 ] - [ -0.0003812900000000, 0.0001045100000000, 0.0005618800000000 ] - [ 0.0000105800000000, 0.0000766700000000, -0.0001313100000000 ] - [ 0.0002609200000000, -0.0001343800000000, 0.0000730200000000 ] - [ 0.0002589000000000, 0.0000844200000000, 0.0010144900000000 ] - [ -0.0002414400000000, -0.0001475600000000, 0.0000458700000000 ] - [ 0.0003118100000000, 0.0002510000000000, 0.0002106900000000 ] - [ 0.0000048400000000, -0.0000095400000000, 0.0000452700000000 ] - [ 0.0000037900000000, 0.0002782100000000, 0.0000732200000000 ] - [ -0.0005256300000000, -0.0003105900000000, 0.0001539700000000 ] - [ -0.0012748800000000, 0.0001619900000000, -0.0004682700000000 ] - [ 0.0000752700000000, -0.0000403400000000, -0.0000511000000000 ] - [ -0.0000855300000000, -0.0000433200000000, -0.0002030900000000 ] - [ 0.0001466000000000, 0.0001269200000000, 0.0001208300000000 ] - [ -0.0009281700000000, -0.0000305400000000, 0.0004142700000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.2566957800000000, 0.0009355900000000, -0.0154129700000000 ] - [ 0.0000020400000000, -0.0003090200000000, -0.0001600300000000 ] - [ -0.0002376400000000, 0.0001398000000000, -0.0000346100000000 ] - [ -0.0469151300000000, 0.0261136200000000, -0.0064050500000000 ] - [ 0.0002353500000000, 0.0001678800000000, -0.0001412900000000 ] - [ -0.0673593500000000, -0.0144394400000000, -0.0061701000000000 ] - [ 0.0001588600000000, -0.0000903500000000, -0.0001109900000000 ] - [ 0.0000171400000000, -0.0003107400000000, -0.0000775800000000 ] - [ -0.0002622300000000, 0.0001373200000000, -0.0000685300000000 ] - [ 0.0000286100000000, 0.0001986800000000, -0.0001038400000000 ] - [ 0.0002599600000000, 0.0001566500000000, -0.0000693900000000 ] - [ -0.0001616800000000, -0.0000709100000000, -0.0000964000000000 ] - [ 0.0001658800000000, -0.0001104200000000, -0.0000798500000000 ] - [ -0.0173085100000000, -0.0038015500000000, -0.0119713700000000 ] - [ -0.0041484300000000, 0.0007552000000000, -0.0015785400000000 ] - [ 0.0000139700000000, 0.0001963700000000, -0.0000913700000000 ] - [ -0.0121369700000000, 0.0008333100000000, -0.0025431500000000 ] - [ -0.0001708000000000, -0.0000833900000000, -0.0000874500000000 ] - [ -0.0028350700000000, 0.0009148200000000, 0.0010700600000000 ] - [ -0.0487781800000000, 0.0064627600000000, -0.0229926200000000 ] - [ 0.0001854800000000, -0.0001547900000000, 0.0002352500000000 ] - [ -0.0008852500000000, -0.0028401700000000, -0.0002885900000000 ] - [ 0.0010162100000000, -0.0070046600000000, 0.0007625300000000 ] - [ -0.0002247900000000, 0.0003817200000000, -0.0000464200000000 ] - [ 0.0002452000000000, 0.0003351300000000, 0.0002130100000000 ] - [ 0.0000320900000000, 0.0000066400000000, 0.0002440400000000 ] - [ 0.0003502100000000, -0.0001910100000000, -0.0001201800000000 ] - [ -0.0002562700000000, -0.0001488900000000, 0.0002384600000000 ] - [ -0.0020043300000000, 0.0019955100000000, 0.0003716100000000 ] - [ 0.0000324800000000, 0.0002539700000000, 0.0002550200000000 ] - [ -0.0306666000000000, 0.0038011900000000, 0.0365602000000000 ] - [ -0.0060485200000000, -0.0166809100000000, 0.0005020000000000 ] - [ 0.0002656300000000, 0.0000966600000000, -0.0001498000000000 ] - [ 0.0003556400000000, -0.0001326100000000, 0.0004550700000000 ] - [ 0.0002082600000000, -0.0001517600000000, 0.0002566800000000 ] - [ -0.0002853300000000, -0.0002332900000000, 0.0004490100000000 ] - [ -0.0000484300000000, -0.0002768000000000, -0.0001449200000000 ] - [ -0.0002925900000000, 0.0001235200000000, -0.0000297900000000 ] - [ 0.0002540400000000, 0.0001942300000000, -0.0000302500000000 ] - [ 0.0000011600000000, -0.0000040100000000, 0.0002170500000000 ] - [ 0.0000375100000000, -0.0003125600000000, -0.0000281900000000 ] - [ -0.0002384800000000, -0.0001057900000000, 0.0002458300000000 ] - [ -0.0000638500000000, 0.0003671200000000, 0.0004546000000000 ] - [ 0.0000312300000000, 0.0002566100000000, 0.0002487200000000 ] - [ -0.0000040600000000, -0.0000003100000000, -0.0001709600000000 ] - [ -0.0002186500000000, 0.0001673100000000, -0.0001492600000000 ] - [ 0.0002621600000000, 0.0001067000000000, -0.0001519600000000 ] - [ 0.0003717600000000, -0.0000977700000000, 0.0003919400000000 ] - [ 0.0002275300000000, 0.0015897700000000, 0.0011814900000000 ] - [ -0.0002668700000000, -0.0002648400000000, 0.0004323600000000 ] - [ -0.0000509900000000, -0.0002698000000000, -0.0001514100000000 ] - [ 0.0002884800000000, 0.0000515200000000, 0.0011129100000000 ] - [ 0.0006477900000000, 0.0013663600000000, -0.0009681500000000 ] - [ 0.0015484300000000, -0.0002297700000000, 0.0001769900000000 ] - [ -0.0011297700000000, -0.0020876500000000, -0.0018964600000000 ] - [ -0.0193164700000000, 0.0039941500000000, 0.0342110400000000 ] - [ -0.0000485700000000, 0.0003545900000000, 0.0004915600000000 ] - [ -0.0004092100000000, -0.0024117500000000, 0.0005787200000000 ] - [ -0.0000048000000000, 0.0000073300000000, -0.0001567400000000 ] - [ -0.0002218100000000, 0.0001671700000000, -0.0001578000000000 ] - [ -0.0000353000000000, -0.0000033500000000, -0.0004094600000000 ] - [ -0.0008342000000000, 0.0001231800000000, 0.0003002300000000 ] - [ 0.0003785100000000, 0.0001591700000000, 0.0008042000000000 ] - [ -0.0000237400000000, -0.0000613500000000, -0.0001149700000000 ] - [ -0.0010232700000000, -0.0055146000000000, -0.0043255000000000 ] - [ 0.0002946000000000, 0.0000181800000000, -0.0002786000000000 ] - [ -0.0031257800000000, 0.0023106800000000, 0.0020582000000000 ] - [ -0.0000115900000000, 0.0006092100000000, 0.0003704100000000 ] - [ 0.0001103500000000, -0.0003106200000000, -0.0002445400000000 ] - [ -0.0001928100000000, 0.0001617600000000, 0.0001947800000000 ] - [ -0.0001688600000000, -0.0003276400000000, -0.0001638200000000 ] - [ 0.0017854500000000, 0.0033465800000000, -0.0041610000000000 ] - [ 0.0000160300000000, 0.0000056000000000, 0.0000928400000000 ] - [ -0.0004457300000000, 0.0000402600000000, 0.0001171300000000 ] - [ -0.0000086300000000, -0.0000888900000000, 0.0000408800000000 ] - [ 0.0000456400000000, 0.0000262000000000, -0.0001909400000000 ] - [ 0.0003581800000000, -0.0000920600000000, -0.0000609300000000 ] - [ -0.0000008700000000, 0.0000011700000000, -0.0000980300000000 ] - [ -0.0002590700000000, -0.0002609900000000, -0.0000623500000000 ] - [ 0.0002452200000000, 0.0001501100000000, -0.0000605300000000 ] - [ -0.0000002800000000, 0.0000021500000000, 0.0000080300000000 ] - [ -0.0000948700000000, 0.0003567700000000, -0.0000622400000000 ] - [ 0.0000087500000000, -0.0002877000000000, -0.0000606000000000 ] - [ -0.0000724800000000, 0.0000533800000000, 0.0000426200000000 ] - [ -0.0000002600000000, -0.0000523000000000, -0.0001915900000000 ] - [ -0.0000466000000000, 0.0000251700000000, -0.0001907400000000 ] - [ 0.0000817400000000, 0.0000365500000000, 0.0000403300000000 ] - [ -0.0002535800000000, 0.0001381300000000, -0.0000588000000000 ] - [ 0.0003283700000000, -0.0002025000000000, -0.0002532100000000 ] - [ 0.0000431400000000, 0.0000282700000000, -0.0001734600000000 ] - [ 0.0003546200000000, -0.0000942100000000, -0.0000853700000000 ] - [ -0.0002463900000000, -0.0000874200000000, -0.0009719000000000 ] - [ -0.0002597600000000, -0.0002704300000000, -0.0000577700000000 ] - [ 0.0001953600000000, 0.0001744800000000, -0.0001866000000000 ] - [ -0.0000012300000000, 0.0000103500000000, -0.0000853200000000 ] - [ -0.0001130200000000, 0.0003671500000000, -0.0000831700000000 ] - [ 0.0006119100000000, -0.0003355200000000, -0.0001482700000000 ] - [ 0.0011824900000000, -0.0000588500000000, 0.0007550700000000 ] - [ -0.0000054300000000, -0.0000590600000000, -0.0002548700000000 ] - [ -0.0000319000000000, 0.0000347000000000, -0.0001020900000000 ] - [ -0.0000233200000000, -0.0001263300000000, 0.0001923300000000 ] - [ 0.0002993500000000, 0.0002404100000000, -0.0004005000000000 ]- atom: 1 displacement: [ -0.0050000000079449, 0.0086602540332574, 0.0000000000000000 ] forces: - [ 0.1280701700000000, -0.2361636500000000, -0.0100252400000000 ] - [ 0.0000323800000000, -0.0003517600000000, -0.0001846400000000 ] - [ -0.0003388200000000, 0.0001811100000000, -0.0001183900000000 ] - [ -0.0591996200000000, 0.0437240900000000, -0.0058040500000000 ] - [ 0.0003052000000000, 0.0002344000000000, -0.0002128700000000 ] - [ -0.0080913600000000, 0.0054155300000000, -0.0022608000000000 ] - [ 0.0003142700000000, -0.0001063600000000, 0.0000284700000000 ] - [ 0.0000443400000000, -0.0003820900000000, -0.0001148700000000 ] - [ -0.0003491500000000, 0.0001453000000000, -0.0001210600000000 ] - [ -0.0000023800000000, 0.0002915600000000, 0.0000125300000000 ] - [ 0.0003016300000000, 0.0002121500000000, -0.0001091100000000 ] - [ -0.0002375400000000, -0.0001810800000000, 0.0000315100000000 ] - [ 0.0002706400000000, -0.0001148000000000, 0.0000054200000000 ] - [ 0.0042864000000000, 0.0162791100000000, 0.0196704500000000 ] - [ -0.0027666300000000, 0.0008394100000000, -0.0011440300000000 ] - [ -0.0000246300000000, 0.0002836800000000, 0.0000047500000000 ] - [ -0.0165489900000000, 0.0235214600000000, -0.0300160400000000 ] - [ -0.0002508600000000, -0.0001841500000000, 0.0000460300000000 ] - [ -0.0014804000000000, 0.0016449000000000, 0.0006059700000000 ] - [ -0.0296035700000000, 0.0104721400000000, -0.0112615300000000 ] - [ 0.0001877200000000, -0.0001496600000000, 0.0002078300000000 ] - [ -0.0008326100000000, -0.0005230400000000, -0.0001247500000000 ] - [ 0.0051531400000000, 0.0584951200000000, -0.0012724200000000 ] - [ -0.0002018000000000, 0.0003614400000000, -0.0001631900000000 ] - [ 0.0001841200000000, 0.0004090600000000, 0.0001153300000000 ] - [ 0.0000298300000000, 0.0000078800000000, 0.0001781200000000 ] - [ 0.0003646900000000, -0.0002203300000000, -0.0002054800000000 ] - [ -0.0002523200000000, -0.0001508300000000, 0.0002300000000000 ] - [ -0.0017218200000000, 0.0024194500000000, 0.0009645300000000 ] - [ 0.0000183600000000, 0.0002500200000000, 0.0002347600000000 ] - [ -0.0189244500000000, 0.0069121100000000, 0.0233308500000000 ] - [ 0.0100562000000000, 0.0518390300000000, 0.0023912300000000 ] - [ 0.0002518500000000, 0.0000924500000000, -0.0001416700000000 ] - [ 0.0003113500000000, -0.0001255500000000, 0.0004598200000000 ] - [ 0.0002048000000000, -0.0001566700000000, 0.0002286800000000 ] - [ -0.0002703600000000, -0.0002227100000000, 0.0004596900000000 ] - [ -0.0000378500000000, -0.0002872100000000, -0.0001348300000000 ] - [ -0.0002899600000000, 0.0001204700000000, -0.0001400200000000 ] - [ 0.0002546200000000, 0.0002051600000000, -0.0001411100000000 ] - [ -0.0000035900000000, 0.0000004000000000, 0.0001973300000000 ] - [ 0.0000484000000000, -0.0003322400000000, -0.0001397200000000 ] - [ -0.0002382000000000, -0.0001049900000000, 0.0002359200000000 ] - [ -0.0000838700000000, 0.0003735900000000, 0.0004734300000000 ] - [ 0.0000259400000000, 0.0002619300000000, 0.0002280200000000 ] - [ 0.0000078700000000, -0.0000117000000000, -0.0001722100000000 ] - [ -0.0002148100000000, 0.0001768200000000, -0.0001359200000000 ] - [ 0.0002586600000000, 0.0001052000000000, -0.0001620400000000 ] - [ 0.0003574300000000, -0.0001399900000000, 0.0003744800000000 ] - [ -0.0009924000000000, 0.0028505200000000, 0.0002309300000000 ] - [ -0.0001742800000000, -0.0002693300000000, 0.0004797300000000 ] - [ -0.0000442700000000, -0.0002704600000000, -0.0001520300000000 ] - [ 0.0000881000000000, 0.0006507900000000, 0.0007787600000000 ] - [ 0.0005022100000000, 0.0009966800000000, -0.0010725000000000 ] - [ 0.0012159100000000, 0.0006501200000000, 0.0002361000000000 ] - [ -0.0021940000000000, -0.0009357600000000, -0.0015311900000000 ] - [ -0.0116697000000000, 0.0061916600000000, 0.0208118700000000 ] - [ -0.0000114600000000, 0.0003525200000000, 0.0005258100000000 ] - [ 0.0015165100000000, 0.0002243100000000, 0.0013433300000000 ] - [ 0.0000063600000000, -0.0000022000000000, -0.0001658100000000 ] - [ -0.0002204700000000, 0.0001714700000000, -0.0001469500000000 ] - [ -0.0000328100000000, -0.0000051800000000, -0.0004524800000000 ] - [ 0.0001579600000000, 0.0003053100000000, -0.0000023000000000 ] - [ 0.0002747600000000, 0.0004213800000000, 0.0004028800000000 ] - [ -0.0000350300000000, -0.0000789400000000, -0.0000973100000000 ] - [ 0.0024366900000000, -0.0025510900000000, -0.0031992000000000 ] - [ 0.0003057900000000, 0.0000220900000000, -0.0002444600000000 ] - [ -0.0010177700000000, 0.0008207800000000, 0.0002441300000000 ] - [ -0.0002300700000000, 0.0001393800000000, 0.0001454700000000 ] - [ 0.0000631500000000, -0.0003599700000000, -0.0000276900000000 ] - [ -0.0001824500000000, 0.0001250000000000, 0.0001690200000000 ] - [ 0.0001091700000000, -0.0003850100000000, -0.0003805800000000 ] - [ -0.0016003100000000, 0.0041674500000000, -0.0042777800000000 ] - [ 0.0000165500000000, -0.0000450700000000, 0.0002315000000000 ] - [ -0.0004518100000000, 0.0000754900000000, 0.0001361900000000 ] - [ -0.0000358600000000, -0.0000631100000000, 0.0001222400000000 ] - [ 0.0000636200000000, 0.0000082700000000, -0.0002453600000000 ] - [ 0.0003840600000000, -0.0000940500000000, -0.0001063600000000 ] - [ -0.0000005800000000, 0.0000008500000000, -0.0000728300000000 ] - [ -0.0002711500000000, -0.0002808900000000, -0.0001042500000000 ] - [ 0.0002590200000000, 0.0001938600000000, 0.0000226000000000 ] - [ 0.0000015400000000, 0.0000033400000000, 0.0000109700000000 ] - [ -0.0001077500000000, 0.0003764500000000, -0.0001031700000000 ] - [ 0.0000403900000000, -0.0003238800000000, 0.0000189200000000 ] - [ -0.0000392900000000, 0.0000625200000000, 0.0001248100000000 ] - [ -0.0000176300000000, -0.0000622400000000, -0.0002450600000000 ] - [ -0.0000390900000000, 0.0000511800000000, -0.0002479600000000 ] - [ 0.0000684400000000, -0.0000011000000000, 0.0001248800000000 ] - [ -0.0002990500000000, 0.0001319000000000, 0.0000188300000000 ] - [ 0.0003437900000000, 0.0002253900000000, -0.0004043800000000 ] - [ 0.0000251400000000, 0.0000326300000000, -0.0002875700000000 ] - [ 0.0003565900000000, -0.0000881100000000, -0.0001348400000000 ] - [ 0.0001924400000000, 0.0002395700000000, 0.0002401900000000 ] - [ -0.0002759700000000, -0.0002729700000000, -0.0000690900000000 ] - [ 0.0003423700000000, 0.0000752800000000, 0.0000541900000000 ] - [ -0.0000183400000000, 0.0000065000000000, -0.0000718900000000 ] - [ -0.0001522100000000, 0.0003999900000000, -0.0001473100000000 ] - [ 0.0003520300000000, -0.0002376300000000, -0.0004109700000000 ] - [ 0.0014554100000000, 0.0000758000000000, 0.0013352800000000 ] - [ -0.0000292400000000, -0.0000415100000000, -0.0003098700000000 ] - [ -0.0000060900000000, 0.0000624600000000, -0.0000830100000000 ] - [ -0.0000294600000000, 0.0001548500000000, -0.0000452600000000 ] - [ 0.0002261400000000, 0.0007365400000000, 0.0006217000000000 ]- atom: 1 displacement: [ 0.0050000000079449, -0.0086602540332574, 0.0000000000000000 ] forces: - [ -0.1254366100000000, 0.2333504300000000, 0.0104643900000000 ] - [ 0.0000432800000000, -0.0003014200000000, 0.0000022200000000 ] - [ -0.0003210700000000, 0.0000959200000000, -0.0001222400000000 ] - [ 0.0573261900000000, -0.0413627300000000, 0.0056878600000000 ] - [ 0.0002449100000000, 0.0001391100000000, 0.0000153800000000 ] - [ 0.0073387200000000, -0.0057745400000000, 0.0023009900000000 ] - [ 0.0004211900000000, -0.0001998300000000, 0.0002309500000000 ] - [ 0.0000127500000000, -0.0002919100000000, 0.0000309500000000 ] - [ -0.0003009500000000, 0.0001400900000000, 0.0000250200000000 ] - [ -0.0000404300000000, 0.0003755000000000, 0.0001844600000000 ] - [ 0.0002394400000000, 0.0001707200000000, 0.0000396100000000 ] - [ -0.0003060100000000, -0.0002440000000000, 0.0001797300000000 ] - [ 0.0003897600000000, -0.0001730100000000, 0.0002379800000000 ] - [ -0.0043005900000000, -0.0172126400000000, -0.0201216700000000 ] - [ 0.0022146100000000, -0.0005852100000000, 0.0009398700000000 ] - [ -0.0000476500000000, 0.0003831900000000, 0.0002081800000000 ] - [ 0.0167141400000000, -0.0222996800000000, 0.0291664200000000 ] - [ -0.0003059000000000, -0.0002175400000000, 0.0001719200000000 ] - [ 0.0017868300000000, -0.0013944900000000, -0.0009583200000000 ] - [ 0.0309595800000000, -0.0108524200000000, 0.0121048300000000 ] - [ 0.0001651300000000, -0.0000252600000000, 0.0001005600000000 ] - [ 0.0002285900000000, -0.0000720400000000, 0.0006844300000000 ] - [ -0.0048263000000000, -0.0568784700000000, 0.0008392300000000 ] - [ -0.0005536500000000, -0.0001199400000000, -0.0004532400000000 ] - [ 0.0004394000000000, 0.0001278900000000, -0.0007429400000000 ] - [ -0.0000466700000000, -0.0000071300000000, 0.0000025100000000 ] - [ -0.0002024300000000, -0.0005777600000000, -0.0004173700000000 ] - [ -0.0001142300000000, -0.0000805800000000, 0.0001462500000000 ] - [ 0.0014902300000000, -0.0015147300000000, -0.0002607800000000 ] - [ -0.0000489800000000, 0.0001841100000000, 0.0000978300000000 ] - [ 0.0186632600000000, -0.0069592200000000, -0.0230233800000000 ] - [ -0.0107721800000000, -0.0533186200000000, -0.0028320200000000 ] - [ 0.0000893400000000, 0.0001270900000000, -0.0001849600000000 ] - [ 0.0003318600000000, -0.0001198900000000, 0.0001617500000000 ] - [ 0.0001591700000000, -0.0000578600000000, 0.0001077800000000 ] - [ -0.0003056600000000, -0.0002684300000000, 0.0001765900000000 ] - [ 0.0000765000000000, -0.0001781000000000, -0.0001669700000000 ] - [ -0.0004115200000000, 0.0001291400000000, -0.0004972000000000 ] - [ 0.0003350100000000, 0.0003165500000000, -0.0005073900000000 ] - [ -0.0000147100000000, 0.0000039100000000, -0.0000015000000000 ] - [ 0.0001060000000000, -0.0004532600000000, -0.0005072000000000 ] - [ -0.0001152300000000, -0.0001230300000000, 0.0001214100000000 ] - [ -0.0000965000000000, 0.0004251100000000, 0.0001852700000000 ] - [ -0.0000445600000000, 0.0001887900000000, 0.0001188500000000 ] - [ 0.0000294600000000, -0.0000113400000000, -0.0000525800000000 ] - [ -0.0001551200000000, 0.0000689400000000, -0.0001704000000000 ] - [ 0.0001237500000000, 0.0001178100000000, -0.0002006700000000 ] - [ 0.0003307200000000, -0.0001107000000000, 0.0002682500000000 ] - [ 0.0012944000000000, -0.0030498600000000, 0.0000641600000000 ] - [ -0.0004029500000000, -0.0002213000000000, 0.0001632400000000 ] - [ 0.0000608400000000, -0.0001815000000000, -0.0001856800000000 ] - [ -0.0008365300000000, -0.0004042200000000, -0.0014385100000000 ] - [ 0.0001165600000000, -0.0005181900000000, 0.0003745800000000 ] - [ -0.0011835400000000, -0.0007041700000000, 0.0000536400000000 ] - [ 0.0023076400000000, 0.0003340100000000, 0.0009986400000000 ] - [ 0.0114361800000000, -0.0064604100000000, -0.0206836500000000 ] - [ -0.0001486900000000, 0.0004114500000000, 0.0001280100000000 ] - [ -0.0014411800000000, 0.0002365200000000, -0.0009934100000000 ] - [ 0.0000015800000000, -0.0000045000000000, -0.0000518800000000 ] - [ -0.0001617000000000, 0.0000486800000000, -0.0001866500000000 ] - [ -0.0000494800000000, -0.0000686100000000, 0.0008005300000000 ] - [ -0.0000674000000000, -0.0002113400000000, -0.0003009400000000 ] - [ 0.0003909400000000, -0.0006330600000000, -0.0005364000000000 ] - [ 0.0000312300000000, 0.0000799800000000, -0.0000010100000000 ] - [ -0.0029711200000000, 0.0022540100000000, 0.0032212800000000 ] - [ 0.0002139000000000, 0.0004404900000000, 0.0002793600000000 ] - [ 0.0011147400000000, -0.0009040300000000, -0.0002074200000000 ] - [ 0.0001241600000000, 0.0005420300000000, -0.0002342500000000 ] - [ 0.0000555800000000, -0.0003147400000000, 0.0000576100000000 ] - [ 0.0001573600000000, -0.0000262500000000, 0.0001589200000000 ] - [ -0.0000798800000000, 0.0002507200000000, 0.0000513500000000 ] - [ 0.0014992000000000, -0.0042100200000000, 0.0041143100000000 ] - [ 0.0000847000000000, 0.0000136000000000, 0.0001036500000000 ] - [ -0.0002050800000000, 0.0001517000000000, -0.0001043800000000 ] - [ -0.0000512100000000, -0.0000119200000000, 0.0001866800000000 ] - [ 0.0000188200000000, 0.0000482700000000, -0.0001008900000000 ] - [ 0.0002788000000000, -0.0001236700000000, 0.0000639700000000 ] - [ -0.0000018700000000, -0.0000018600000000, 0.0000333300000000 ] - [ -0.0002408400000000, -0.0001829500000000, 0.0000652900000000 ] - [ 0.0002538300000000, 0.0002639600000000, 0.0000948100000000 ] - [ 0.0000036400000000, -0.0000021700000000, 0.0000899800000000 ] - [ -0.0000330300000000, 0.0002997000000000, 0.0000699000000000 ] - [ 0.0000961200000000, -0.0003508300000000, 0.0000918600000000 ] - [ 0.0000115100000000, 0.0000526600000000, 0.0001872000000000 ] - [ 0.0000357700000000, -0.0000413700000000, -0.0000998000000000 ] - [ -0.0000494500000000, -0.0000038400000000, -0.0001048100000000 ] - [ 0.0000374600000000, -0.0000398400000000, 0.0001899500000000 ] - [ -0.0003521900000000, 0.0000934300000000, 0.0000917100000000 ] - [ -0.0004333000000000, -0.0002732800000000, 0.0008088000000000 ] - [ 0.0000573800000000, 0.0000216900000000, -0.0001062400000000 ] - [ 0.0003109400000000, -0.0001241300000000, 0.0000504400000000 ] - [ -0.0002024400000000, -0.0002629100000000, -0.0001687600000000 ] - [ -0.0002346600000000, -0.0001943500000000, -0.0000111700000000 ] - [ 0.0001742900000000, 0.0003880200000000, 0.0000264000000000 ] - [ 0.0000212000000000, -0.0000006900000000, 0.0000087600000000 ] - [ 0.0000035900000000, 0.0002803500000000, 0.0000663100000000 ] - [ -0.0002172700000000, -0.0004457300000000, 0.0004949700000000 ] - [ -0.0015091200000000, 0.0000182500000000, -0.0009725400000000 ] - [ 0.0000462500000000, -0.0000572100000000, -0.0000823300000000 ] - [ -0.0000850700000000, -0.0000172600000000, -0.0003170600000000 ] - [ 0.0001275500000000, -0.0001976600000000, 0.0004435700000000 ] - [ -0.0009010100000000, -0.0005441800000000, -0.0005260400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0150559100000000, -0.0034871800000000, -0.2668239900000000 ] - [ -0.0000011400000000, -0.0001480300000000, 0.0002186200000000 ] - [ -0.0002232100000000, 0.0001313300000000, 0.0000489200000000 ] - [ -0.0039815100000000, 0.0052156000000000, 0.0099122300000000 ] - [ 0.0001366800000000, 0.0000431000000000, 0.0002340300000000 ] - [ -0.0060531200000000, -0.0043001900000000, 0.0099352300000000 ] - [ 0.0003591500000000, -0.0001891100000000, 0.0002885200000000 ] - [ -0.0000090900000000, -0.0001888600000000, 0.0002240000000000 ] - [ -0.0001407200000000, 0.0001032900000000, 0.0002333600000000 ] - [ -0.0000721900000000, 0.0004182900000000, 0.0002918700000000 ] - [ 0.0001698600000000, 0.0000804200000000, 0.0002319400000000 ] - [ -0.0003558500000000, -0.0002457000000000, 0.0002594800000000 ] - [ 0.0003877500000000, -0.0001610200000000, 0.0002977100000000 ] - [ 0.0269257600000000, 0.0179598300000000, 0.0473282400000000 ] - [ 0.0012576200000000, -0.0001779200000000, 0.0015856900000000 ] - [ -0.0000498800000000, 0.0004107800000000, 0.0002780200000000 ] - [ 0.0199749800000000, -0.0246349500000000, 0.0473064000000000 ] - [ -0.0003380000000000, -0.0002544000000000, 0.0002980600000000 ] - [ -0.0010457100000000, 0.0005818200000000, -0.0007118100000000 ] - [ 0.0178647200000000, -0.0010170500000000, 0.0212889300000000 ] - [ 0.0002504700000000, -0.0001814700000000, 0.0001006900000000 ] - [ -0.0006648900000000, -0.0011471800000000, 0.0009733900000000 ] - [ -0.0023206500000000, -0.0030749300000000, 0.0031961500000000 ] - [ -0.0004413300000000, 0.0000034900000000, -0.0004740400000000 ] - [ 0.0004970800000000, -0.0000513800000000, -0.0010410900000000 ] - [ 0.0000212700000000, -0.0000083700000000, 0.0001187400000000 ] - [ -0.0000972000000000, -0.0004063000000000, -0.0006239200000000 ] - [ -0.0002852600000000, -0.0000396000000000, 0.0000866400000000 ] - [ 0.0002600700000000, 0.0013067700000000, 0.0019726200000000 ] - [ 0.0000619200000000, 0.0002686000000000, 0.0000801400000000 ] - [ -0.0385643700000000, 0.0064972100000000, 0.0485006200000000 ] - [ -0.0015303600000000, 0.0025766000000000, 0.0032201300000000 ] - [ 0.0002261600000000, 0.0001141500000000, -0.0002916700000000 ] - [ 0.0002393500000000, -0.0001111100000000, -0.0002447600000000 ] - [ 0.0002173800000000, -0.0001878700000000, 0.0000969300000000 ] - [ -0.0002292100000000, -0.0001607400000000, -0.0002284200000000 ] - [ -0.0000244000000000, -0.0002527800000000, -0.0003153500000000 ] - [ -0.0003702500000000, 0.0001200200000000, -0.0006873700000000 ] - [ 0.0002909200000000, 0.0002590800000000, -0.0006836300000000 ] - [ 0.0000008900000000, -0.0000025900000000, 0.0001309800000000 ] - [ 0.0000794900000000, -0.0003800100000000, -0.0006847600000000 ] - [ -0.0002689400000000, -0.0000950500000000, 0.0000893500000000 ] - [ -0.0000093900000000, 0.0002684300000000, -0.0002434100000000 ] - [ 0.0000534500000000, 0.0002776900000000, 0.0000909800000000 ] - [ 0.0000001900000000, 0.0000073500000000, -0.0002671900000000 ] - [ -0.0002065000000000, 0.0001529200000000, -0.0003093200000000 ] - [ 0.0002419200000000, 0.0001048400000000, -0.0003189800000000 ] - [ 0.0002443600000000, -0.0001142900000000, -0.0002491100000000 ] - [ -0.0006797000000000, -0.0015969900000000, 0.0010306000000000 ] - [ -0.0002122800000000, -0.0001434800000000, -0.0002280300000000 ] - [ -0.0000347000000000, -0.0002595900000000, -0.0003175100000000 ] - [ -0.0013589100000000, 0.0001462900000000, 0.0003386500000000 ] - [ -0.0013528300000000, -0.0021147300000000, 0.0015011900000000 ] - [ -0.0004026700000000, 0.0001748100000000, 0.0033270200000000 ] - [ -0.0019772000000000, 0.0014640800000000, 0.0015312500000000 ] - [ -0.0310600400000000, 0.0051320400000000, 0.0518377400000000 ] - [ 0.0000366100000000, 0.0002880100000000, -0.0002239800000000 ] - [ -0.0003384100000000, 0.0017260200000000, 0.0015389800000000 ] - [ 0.0000016200000000, 0.0000066900000000, -0.0002652000000000 ] - [ -0.0002142000000000, 0.0001532600000000, -0.0003210200000000 ] - [ -0.0001148500000000, -0.0001634000000000, 0.0011384100000000 ] - [ 0.0002709900000000, -0.0000730900000000, -0.0010620800000000 ] - [ 0.0009089900000000, 0.0001907000000000, -0.0010620400000000 ] - [ 0.0000587600000000, 0.0000205000000000, 0.0000555600000000 ] - [ 0.0037260300000000, 0.0037495500000000, 0.0063559200000000 ] - [ 0.0002676600000000, 0.0003412200000000, 0.0001526500000000 ] - [ 0.0018779900000000, -0.0021380000000000, -0.0010152700000000 ] - [ -0.0000000900000000, 0.0010297900000000, 0.0000668700000000 ] - [ 0.0000459400000000, -0.0003134900000000, 0.0001467800000000 ] - [ 0.0001083400000000, -0.0001477700000000, 0.0000316100000000 ] - [ -0.0002721400000000, -0.0004467900000000, -0.0006007300000000 ] - [ 0.0021444200000000, -0.0047677800000000, 0.0075902700000000 ] - [ 0.0000913300000000, -0.0000512800000000, 0.0001539300000000 ] - [ -0.0003733900000000, 0.0000880800000000, 0.0000913000000000 ] - [ -0.0000575800000000, -0.0000034500000000, 0.0002397800000000 ] - [ -0.0000241300000000, 0.0001143600000000, 0.0000285400000000 ] - [ 0.0001987800000000, -0.0001572900000000, 0.0001859700000000 ] - [ -0.0000005300000000, -0.0000024500000000, 0.0000992300000000 ] - [ -0.0002293600000000, -0.0000969900000000, 0.0001896100000000 ] - [ 0.0002618800000000, 0.0003222900000000, 0.0001874000000000 ] - [ 0.0000038800000000, -0.0000042900000000, 0.0001940000000000 ] - [ 0.0000328200000000, 0.0002506200000000, 0.0001876800000000 ] - [ 0.0001479400000000, -0.0003892000000000, 0.0001852200000000 ] - [ 0.0000262200000000, 0.0000512300000000, 0.0002409300000000 ] - [ 0.0001146400000000, -0.0000363700000000, 0.0000287800000000 ] - [ -0.0000871700000000, -0.0000863500000000, 0.0000323000000000 ] - [ 0.0000322500000000, -0.0000486600000000, 0.0002413300000000 ] - [ -0.0004108200000000, 0.0000638500000000, 0.0001882700000000 ] - [ -0.0001776100000000, -0.0003909200000000, -0.0000614200000000 ] - [ -0.0000362500000000, 0.0001417700000000, -0.0000514700000000 ] - [ 0.0001644200000000, -0.0001634300000000, 0.0001680300000000 ] - [ 0.0003183700000000, 0.0010357300000000, -0.0000756000000000 ] - [ -0.0002364700000000, -0.0000861200000000, 0.0001646300000000 ] - [ 0.0004662400000000, 0.0002658000000000, 0.0000829100000000 ] - [ -0.0000026500000000, -0.0000054700000000, 0.0001078900000000 ] - [ 0.0000434400000000, 0.0002380900000000, 0.0001311000000000 ] - [ 0.0001467900000000, -0.0005108300000000, 0.0001668400000000 ] - [ 0.0002536700000000, 0.0003418200000000, 0.0004637100000000 ] - [ 0.0001121300000000, -0.0000333900000000, -0.0000151400000000 ] - [ -0.0001010300000000, -0.0001067500000000, -0.0000215300000000 ] - [ 0.0002873600000000, 0.0001076500000000, 0.0001050400000000 ] - [ 0.0000713600000000, 0.0010106000000000, 0.0000933200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0144539700000000, 0.0031928700000000, 0.2695745400000000 ] - [ -0.0000044000000000, -0.0003338300000000, -0.0002387100000000 ] - [ -0.0002001000000000, 0.0001158900000000, -0.0000779500000000 ] - [ 0.0038655700000000, -0.0046001700000000, -0.0099585000000000 ] - [ 0.0002796900000000, 0.0001918300000000, -0.0002524100000000 ] - [ 0.0054700300000000, 0.0040137600000000, -0.0099743600000000 ] - [ 0.0000785700000000, -0.0000593500000000, -0.0002437900000000 ] - [ 0.0000078100000000, -0.0003063600000000, -0.0001413900000000 ] - [ -0.0002860700000000, 0.0001474600000000, -0.0001548900000000 ] - [ 0.0000766700000000, 0.0000745700000000, -0.0002620800000000 ] - [ 0.0002664700000000, 0.0001698300000000, -0.0001535600000000 ] - [ -0.0000727100000000, -0.0000038400000000, -0.0002256100000000 ] - [ 0.0000573100000000, -0.0000871400000000, -0.0002434600000000 ] - [ -0.0274327000000000, -0.0189683000000000, -0.0491356600000000 ] - [ -0.0017067500000000, 0.0004334900000000, -0.0016337600000000 ] - [ 0.0000520000000000, 0.0000863800000000, -0.0002275500000000 ] - [ -0.0198578500000000, 0.0254974200000000, -0.0490933800000000 ] - [ -0.0000967300000000, -0.0000063500000000, -0.0002381000000000 ] - [ 0.0015274200000000, -0.0003817400000000, 0.0003580000000000 ] - [ -0.0164430000000000, 0.0006862800000000, -0.0202472500000000 ] - [ 0.0001624300000000, -0.0001100900000000, 0.0002701400000000 ] - [ 0.0001423200000000, 0.0007151700000000, -0.0004738000000000 ] - [ 0.0023052200000000, 0.0025850000000000, -0.0034537900000000 ] - [ -0.0002403100000000, 0.0002448600000000, -0.0000418800000000 ] - [ 0.0000715800000000, 0.0005133700000000, 0.0005163200000000 ] - [ -0.0000252600000000, 0.0000065500000000, 0.0002078600000000 ] - [ 0.0002147600000000, -0.0003127700000000, 0.0001051600000000 ] - [ -0.0001814500000000, -0.0001746600000000, 0.0002946300000000 ] - [ -0.0003799200000000, -0.0006608800000000, -0.0014433700000000 ] - [ -0.0000131900000000, 0.0002459000000000, 0.0002968900000000 ] - [ 0.0373020100000000, -0.0062991600000000, -0.0472674400000000 ] - [ 0.0011304300000000, -0.0022822400000000, -0.0034661900000000 ] - [ 0.0002445600000000, 0.0000950800000000, -0.0000870500000000 ] - [ 0.0004152600000000, -0.0001378200000000, 0.0007474100000000 ] - [ 0.0001970600000000, -0.0001090900000000, 0.0002853200000000 ] - [ -0.0003213100000000, -0.0002854000000000, 0.0007251700000000 ] - [ -0.0000247100000000, -0.0002687100000000, -0.0000580900000000 ] - [ -0.0003003600000000, 0.0001260200000000, 0.0001615100000000 ] - [ 0.0002601700000000, 0.0002013000000000, 0.0001591400000000 ] - [ -0.0000033400000000, 0.0000044700000000, 0.0001874600000000 ] - [ 0.0000456800000000, -0.0003330800000000, 0.0001559100000000 ] - [ -0.0001958400000000, -0.0001125500000000, 0.0003035500000000 ] - [ -0.0001115100000000, 0.0004433400000000, 0.0007417500000000 ] - [ -0.0000050200000000, 0.0002347500000000, 0.0002984900000000 ] - [ 0.0000036100000000, -0.0000132800000000, -0.0000890000000000 ] - [ -0.0002152700000000, 0.0001598000000000, -0.0000660900000000 ] - [ 0.0002342700000000, 0.0001039700000000, -0.0000821400000000 ] - [ 0.0004115200000000, -0.0001321600000000, 0.0007505000000000 ] - [ 0.0011059700000000, 0.0012950800000000, -0.0006118800000000 ] - [ -0.0003360400000000, -0.0003041500000000, 0.0007275800000000 ] - [ -0.0000150900000000, -0.0002683800000000, -0.0000814900000000 ] - [ 0.0006915900000000, 0.0000964800000000, -0.0008330300000000 ] - [ 0.0019359000000000, 0.0026475800000000, -0.0020381400000000 ] - [ 0.0003256800000000, -0.0001698400000000, -0.0030447200000000 ] - [ 0.0020946200000000, -0.0022346800000000, -0.0020608400000000 ] - [ 0.0318183600000000, -0.0055535300000000, -0.0533537100000000 ] - [ -0.0001572600000000, 0.0004181200000000, 0.0007282000000000 ] - [ 0.0003912900000000, -0.0012092000000000, -0.0011273900000000 ] - [ 0.0000036900000000, -0.0000102600000000, -0.0000801100000000 ] - [ -0.0002080900000000, 0.0001585700000000, -0.0000745100000000 ] - [ 0.0000691900000000, 0.0000606100000000, -0.0008857300000000 ] - [ -0.0002214200000000, 0.0001914000000000, 0.0008560400000000 ] - [ -0.0003013600000000, -0.0004079400000000, 0.0010133700000000 ] - [ -0.0000581000000000, -0.0000232600000000, -0.0001671800000000 ] - [ -0.0041332400000000, -0.0040527300000000, -0.0062637100000000 ] - [ 0.0002288900000000, 0.0000796800000000, -0.0001932500000000 ] - [ -0.0018781600000000, 0.0021426100000000, 0.0010342100000000 ] - [ -0.0000931400000000, -0.0003872000000000, -0.0001052800000000 ] - [ 0.0000630800000000, -0.0003244200000000, -0.0001882200000000 ] - [ -0.0001751800000000, 0.0002348800000000, 0.0002031100000000 ] - [ 0.0003613200000000, 0.0003433600000000, 0.0003901400000000 ] - [ -0.0022146400000000, 0.0046205100000000, -0.0076531500000000 ] - [ 0.0000222600000000, 0.0000645600000000, 0.0000849800000000 ] - [ -0.0002374200000000, 0.0001340100000000, -0.0001343500000000 ] - [ 0.0000058300000000, -0.0001103300000000, -0.0000318000000000 ] - [ 0.0000697800000000, -0.0000129100000000, -0.0002645500000000 ] - [ 0.0004120700000000, -0.0000669100000000, -0.0001410800000000 ] - [ -0.0000003800000000, -0.0000002700000000, -0.0001463400000000 ] - [ -0.0002653300000000, -0.0003222700000000, -0.0001458500000000 ] - [ 0.0002345800000000, 0.0000929200000000, -0.0001524200000000 ] - [ -0.0000025500000000, 0.0000047700000000, -0.0000794400000000 ] - [ -0.0001444200000000, 0.0003869400000000, -0.0001392600000000 ] - [ -0.0000383700000000, -0.0002495500000000, -0.0001511900000000 ] - [ -0.0001009700000000, 0.0000514800000000, -0.0000321500000000 ] - [ -0.0000429800000000, -0.0000557400000000, -0.0002627100000000 ] - [ -0.0000234700000000, 0.0000736300000000, -0.0002679900000000 ] - [ 0.0000933700000000, 0.0000613800000000, -0.0000322900000000 ] - [ -0.0001976400000000, 0.0001591000000000, -0.0001537500000000 ] - [ 0.0001296400000000, 0.0002818300000000, 0.0003560500000000 ] - [ 0.0000822500000000, -0.0000410400000000, -0.0002376600000000 ] - [ 0.0004464800000000, -0.0000566900000000, -0.0001663500000000 ] - [ -0.0003344300000000, -0.0010507000000000, 0.0001171800000000 ] - [ -0.0002558600000000, -0.0003327200000000, -0.0001626800000000 ] - [ 0.0000311300000000, 0.0001520200000000, -0.0000815100000000 ] - [ 0.0000045900000000, 0.0000077000000000, -0.0001648600000000 ] - [ -0.0001550400000000, 0.0003983000000000, -0.0001262300000000 ] - [ -0.0000363700000000, -0.0001290900000000, -0.0001648100000000 ] - [ -0.0003283600000000, -0.0002543600000000, -0.0001758000000000 ] - [ -0.0000433400000000, -0.0000570400000000, -0.0002720200000000 ] - [ -0.0000114100000000, 0.0000935600000000, -0.0002665900000000 ] - [ -0.0001739100000000, -0.0000899300000000, 0.0001827400000000 ] - [ -0.0006882100000000, -0.0007863200000000, -0.0000861100000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0032425500000000, -0.0003348000000000, -0.0013480000000000 ] - [ -0.0000043100000000, -0.0002555900000000, -0.0000302300000000 ] - [ -0.0001805900000000, 0.0001172100000000, -0.0000391600000000 ] - [ 0.0591052500000000, 0.0279054300000000, 0.0034851800000000 ] - [ 0.0002111600000000, 0.0001297300000000, -0.0000394100000000 ] - [ 0.0407299600000000, -0.0373046300000000, 0.0026741800000000 ] - [ 0.0001842800000000, -0.0001141100000000, -0.0000201500000000 ] - [ -0.0000040100000000, -0.0002491800000000, 0.0000267600000000 ] - [ -0.0002069400000000, 0.0001191200000000, 0.0000298400000000 ] - [ 0.0000022600000000, 0.0002481900000000, -0.0000034600000000 ] - [ 0.0002127600000000, 0.0001183000000000, 0.0000307200000000 ] - [ -0.0001966800000000, -0.0001140200000000, -0.0000141000000000 ] - [ 0.0001851500000000, -0.0001179100000000, -0.0000147900000000 ] - [ 0.0032149600000000, -0.0012877500000000, -0.0010874700000000 ] - [ 0.0192698300000000, -0.0020642700000000, -0.0317652000000000 ] - [ 0.0000109500000000, 0.0002206200000000, -0.0000052600000000 ] - [ 0.0034245800000000, 0.0000192800000000, -0.0008240100000000 ] - [ -0.0002052400000000, -0.0001128200000000, 0.0000031800000000 ] - [ -0.1417574700000000, 0.0119716800000000, 0.0313499300000000 ] - [ 0.0018189900000000, 0.0007860600000000, -0.0004993500000000 ] - [ 0.0002276400000000, -0.0001946500000000, 0.0002137800000000 ] - [ -0.0000518600000000, -0.0006381000000000, -0.0005593600000000 ] - [ 0.0029148800000000, 0.0006472800000000, -0.0004213100000000 ] - [ -0.0003529000000000, 0.0001293300000000, -0.0002569900000000 ] - [ 0.0002092200000000, 0.0002345000000000, -0.0002090600000000 ] - [ -0.0000239400000000, 0.0000001800000000, 0.0002409500000000 ] - [ -0.0000609000000000, -0.0003742600000000, -0.0002082600000000 ] - [ -0.0002783800000000, -0.0001000700000000, 0.0002180500000000 ] - [ 0.0021725300000000, 0.0010405500000000, 0.0011325300000000 ] - [ 0.0000625500000000, 0.0002959900000000, 0.0002123600000000 ] - [ 0.0030786300000000, -0.0007413200000000, 0.0035697400000000 ] - [ 0.0016772100000000, -0.0013614800000000, -0.0004314800000000 ] - [ 0.0002839100000000, 0.0000976900000000, -0.0001935400000000 ] - [ 0.0003345700000000, -0.0001300200000000, 0.0002777200000000 ] - [ 0.0002223000000000, -0.0001961800000000, 0.0002212100000000 ] - [ -0.0002774000000000, -0.0002195600000000, 0.0002715400000000 ] - [ -0.0000595400000000, -0.0002962100000000, -0.0001945000000000 ] - [ -0.0003231700000000, 0.0001280900000000, -0.0002076500000000 ] - [ 0.0002736700000000, 0.0002185800000000, -0.0002087700000000 ] - [ -0.0000034100000000, -0.0000013700000000, 0.0002298000000000 ] - [ 0.0000498000000000, -0.0003447100000000, -0.0002069800000000 ] - [ -0.0002827700000000, -0.0000986900000000, 0.0002237800000000 ] - [ -0.0000558000000000, 0.0003517600000000, 0.0002736400000000 ] - [ 0.0000576900000000, 0.0002969700000000, 0.0002168500000000 ] - [ -0.0000011800000000, -0.0000023200000000, -0.0002316600000000 ] - [ -0.0002313500000000, 0.0002032800000000, -0.0001984300000000 ] - [ 0.0002921600000000, 0.0001042200000000, -0.0002081700000000 ] - [ 0.0003181600000000, -0.0000858400000000, 0.0002980600000000 ] - [ 0.0006631200000000, 0.0026870300000000, -0.0025049900000000 ] - [ -0.0002466200000000, -0.0002423700000000, 0.0002400800000000 ] - [ -0.0000615000000000, -0.0003086000000000, -0.0002014000000000 ] - [ -0.0007141800000000, 0.0005158600000000, 0.0007796400000000 ] - [ 0.0005894700000000, -0.0001703900000000, -0.0004251100000000 ] - [ 0.0007578000000000, -0.0001919200000000, -0.0011353300000000 ] - [ 0.0001319900000000, -0.0005378300000000, -0.0001394000000000 ] - [ -0.0005158900000000, -0.0000816600000000, 0.0002950500000000 ] - [ -0.0000840500000000, 0.0003388200000000, 0.0002868600000000 ] - [ -0.0011897200000000, -0.0016048900000000, -0.0008735900000000 ] - [ 0.0000074500000000, 0.0000052300000000, -0.0002383800000000 ] - [ -0.0002263400000000, 0.0002075400000000, -0.0002071000000000 ] - [ 0.0000507800000000, -0.0000416200000000, 0.0000929200000000 ] - [ -0.0002686800000000, 0.0005357000000000, -0.0007311800000000 ] - [ -0.0000615900000000, -0.0004598900000000, -0.0019647900000000 ] - [ 0.0000101300000000, 0.0000226900000000, -0.0000774900000000 ] - [ -0.0005560700000000, -0.0004818900000000, -0.0000139900000000 ] - [ 0.0002586500000000, 0.0002185500000000, 0.0000022300000000 ] - [ 0.0007991600000000, 0.0008736100000000, -0.0000398500000000 ] - [ 0.0002106200000000, 0.0004925000000000, 0.0003331700000000 ] - [ 0.0000693500000000, -0.0003353600000000, 0.0000125100000000 ] - [ -0.0000099300000000, 0.0000589900000000, 0.0001904600000000 ] - [ 0.0001131800000000, -0.0001044600000000, -0.0000456400000000 ] - [ 0.0001745300000000, 0.0005034400000000, -0.0005850700000000 ] - [ 0.0000978400000000, -0.0000283200000000, 0.0001722000000000 ] - [ -0.0002414300000000, 0.0001381000000000, -0.0000684900000000 ] - [ -0.0000220800000000, -0.0000592200000000, 0.0001000000000000 ] - [ 0.0000266000000000, 0.0000422700000000, -0.0001397400000000 ] - [ 0.0003218000000000, -0.0001067600000000, -0.0000023300000000 ] - [ 0.0000012300000000, -0.0000011700000000, -0.0000475500000000 ] - [ -0.0002507200000000, -0.0002228000000000, 0.0000019000000000 ] - [ 0.0002502500000000, 0.0002021100000000, 0.0000104300000000 ] - [ 0.0000007300000000, 0.0000004100000000, 0.0000555600000000 ] - [ -0.0000664600000000, 0.0003292600000000, 0.0000022600000000 ] - [ 0.0000520400000000, -0.0003184500000000, 0.0000104100000000 ] - [ -0.0000397400000000, 0.0000503100000000, 0.0001019900000000 ] - [ 0.0000248500000000, -0.0000454800000000, -0.0001406700000000 ] - [ -0.0000507900000000, 0.0000002000000000, -0.0001395100000000 ] - [ 0.0000635600000000, 0.0000092000000000, 0.0001010500000000 ] - [ -0.0003011600000000, 0.0001153800000000, 0.0000104600000000 ] - [ -0.0001549000000000, 0.0001739300000000, 0.0002461300000000 ] - [ 0.0000258600000000, 0.0000214300000000, -0.0000882800000000 ] - [ 0.0003392200000000, -0.0000812900000000, -0.0000229500000000 ] - [ 0.0007268500000000, -0.0005839200000000, 0.0003074700000000 ] - [ -0.0002399900000000, -0.0002490100000000, -0.0000366200000000 ] - [ 0.0005028900000000, 0.0001675200000000, 0.0001635700000000 ] - [ 0.0000074100000000, 0.0000016500000000, -0.0000318900000000 ] - [ -0.0000903900000000, 0.0003278100000000, -0.0000011200000000 ] - [ 0.0000077300000000, -0.0003298800000000, 0.0001541500000000 ] - [ -0.0000145500000000, 0.0000486200000000, 0.0001997400000000 ] - [ 0.0000159000000000, -0.0000662600000000, -0.0001605500000000 ] - [ -0.0000486100000000, -0.0000129400000000, -0.0001613300000000 ] - [ 0.0002390500000000, -0.0001667400000000, 0.0005942700000000 ] - [ -0.0003144200000000, 0.0001007200000000, -0.0000132600000000 ]- atom: 19 displacement: [ -0.0100000000000000, -0.0000000000097931, 0.0000000000000000 ] forces: - [ -0.0027103500000000, 0.0000684900000000, 0.0013676100000000 ] - [ 0.0000266700000000, -0.0003153800000000, -0.0001204200000000 ] - [ -0.0002932800000000, 0.0001466100000000, -0.0000744500000000 ] - [ -0.0566691900000000, -0.0264779100000000, -0.0035849800000000 ] - [ 0.0002442600000000, 0.0001703900000000, -0.0000810200000000 ] - [ -0.0398672800000000, 0.0358324800000000, -0.0027144500000000 ] - [ 0.0003110300000000, -0.0001357900000000, 0.0000854000000000 ] - [ 0.0000342900000000, -0.0003364400000000, -0.0000472200000000 ] - [ -0.0002960000000000, 0.0001514000000000, -0.0000335900000000 ] - [ -0.0000447000000000, 0.0003694000000000, 0.0000940500000000 ] - [ 0.0002751800000000, 0.0001909800000000, -0.0000325000000000 ] - [ -0.0002888600000000, -0.0001946500000000, 0.0000810500000000 ] - [ 0.0003360600000000, -0.0001387800000000, 0.0001199600000000 ] - [ -0.0031640800000000, 0.0007408300000000, 0.0010040300000000 ] - [ -0.0193708900000000, 0.0022396400000000, 0.0310216700000000 ] - [ -0.0000438300000000, 0.0003721100000000, 0.0001231900000000 ] - [ -0.0028932300000000, 0.0003192000000000, 0.0006785700000000 ] - [ -0.0002853800000000, -0.0002085400000000, 0.0001116100000000 ] - [ 0.1378916000000000, -0.0115055800000000, -0.0310160700000000 ] - [ -0.0011391500000000, -0.0010589000000000, 0.0010031200000000 ] - [ 0.0002012800000000, -0.0001450600000000, 0.0001768100000000 ] - [ -0.0005467000000000, 0.0002280800000000, 0.0010270300000000 ] - [ -0.0029106100000000, -0.0011752500000000, 0.0000069500000000 ] - [ -0.0003069600000000, 0.0001299000000000, -0.0002178900000000 ] - [ 0.0003477200000000, 0.0002004600000000, -0.0002652200000000 ] - [ 0.0000262900000000, -0.0000050500000000, 0.0001764400000000 ] - [ 0.0001634800000000, -0.0003205100000000, -0.0002697400000000 ] - [ -0.0002314500000000, -0.0001035900000000, 0.0001562800000000 ] - [ -0.0023196500000000, -0.0002611500000000, -0.0006016600000000 ] - [ 0.0000242500000000, 0.0002474300000000, 0.0001691100000000 ] - [ -0.0030361900000000, 0.0007152900000000, -0.0039020500000000 ] - [ -0.0020614300000000, 0.0016745800000000, 0.0000500200000000 ] - [ 0.0002218200000000, 0.0001098500000000, -0.0001962500000000 ] - [ 0.0003264100000000, -0.0001304400000000, 0.0002069500000000 ] - [ 0.0002013800000000, -0.0001449200000000, 0.0001834600000000 ] - [ -0.0002752400000000, -0.0002163100000000, 0.0002077800000000 ] - [ -0.0000282600000000, -0.0002349600000000, -0.0001987500000000 ] - [ -0.0003245900000000, 0.0001231800000000, -0.0002678000000000 ] - [ 0.0002725600000000, 0.0002200600000000, -0.0002693400000000 ] - [ 0.0000008700000000, -0.0000026800000000, 0.0001728600000000 ] - [ 0.0000538100000000, -0.0003472400000000, -0.0002678400000000 ] - [ -0.0002238800000000, -0.0001014200000000, 0.0001792600000000 ] - [ -0.0000480700000000, 0.0003377200000000, 0.0002033900000000 ] - [ 0.0000264200000000, 0.0002429700000000, 0.0001806300000000 ] - [ -0.0000059100000000, 0.0000093000000000, -0.0001729900000000 ] - [ -0.0001972100000000, 0.0001247100000000, -0.0001995200000000 ] - [ 0.0002246100000000, 0.0000992400000000, -0.0002038000000000 ] - [ 0.0003264700000000, -0.0001669600000000, 0.0001794100000000 ] - [ -0.0002393700000000, -0.0030037500000000, 0.0028998300000000 ] - [ -0.0002997500000000, -0.0001899600000000, 0.0002416100000000 ] - [ -0.0000237900000000, -0.0002436400000000, -0.0002065600000000 ] - [ 0.0000192900000000, -0.0002671600000000, -0.0011508200000000 ] - [ -0.0000284200000000, 0.0006036300000000, -0.0000623800000000 ] - [ -0.0007398800000000, 0.0002082200000000, 0.0015256300000000 ] - [ -0.0000290200000000, -0.0001865500000000, -0.0003551600000000 ] - [ 0.0000155100000000, -0.0001041900000000, 0.0001247500000000 ] - [ -0.0000198200000000, 0.0003486100000000, 0.0001922700000000 ] - [ 0.0012292000000000, 0.0021671700000000, 0.0013141000000000 ] - [ -0.0000043700000000, -0.0000010200000000, -0.0001721000000000 ] - [ -0.0002036400000000, 0.0001372500000000, -0.0002066200000000 ] - [ -0.0000918900000000, -0.0000560100000000, 0.0001716300000000 ] - [ 0.0003197900000000, -0.0004328000000000, 0.0005093200000000 ] - [ 0.0007019300000000, 0.0002372900000000, 0.0019110400000000 ] - [ -0.0000069600000000, -0.0000264500000000, -0.0000694400000000 ] - [ 0.0000516200000000, 0.0000569900000000, -0.0000406000000000 ] - [ 0.0002486100000000, 0.0002074400000000, -0.0000273000000000 ] - [ -0.0008165700000000, -0.0008925700000000, 0.0001319500000000 ] - [ -0.0003173000000000, 0.0001622000000000, -0.0003788000000000 ] - [ 0.0000477900000000, -0.0003161300000000, -0.0000372000000000 ] - [ -0.0000519200000000, 0.0000258100000000, 0.0000712600000000 ] - [ -0.0000379600000000, -0.0000012900000000, -0.0001813300000000 ] - [ -0.0003085900000000, -0.0005294000000000, 0.0003721000000000 ] - [ 0.0000091300000000, 0.0000439300000000, 0.0000861000000000 ] - [ -0.0003869200000000, 0.0000823800000000, 0.0000486000000000 ] - [ -0.0000227500000000, -0.0000499100000000, 0.0001304800000000 ] - [ 0.0000154900000000, 0.0000449400000000, -0.0001277600000000 ] - [ 0.0003106900000000, -0.0001096000000000, 0.0000150900000000 ] - [ 0.0000005300000000, -0.0000023700000000, -0.0000349400000000 ] - [ -0.0002471700000000, -0.0002122200000000, 0.0000164500000000 ] - [ 0.0002508700000000, 0.0002204900000000, 0.0000445000000000 ] - [ 0.0000008800000000, -0.0000009700000000, 0.0000867600000000 ] - [ -0.0000566000000000, 0.0003204900000000, 0.0000184500000000 ] - [ 0.0000665500000000, -0.0003303800000000, 0.0000431100000000 ] - [ -0.0000311000000000, 0.0000438100000000, 0.0001336000000000 ] - [ 0.0000352800000000, -0.0000390000000000, -0.0001298900000000 ] - [ -0.0000491300000000, -0.0000141700000000, -0.0001280900000000 ] - [ 0.0000552300000000, 0.0000052300000000, 0.0001310500000000 ] - [ -0.0003180300000000, 0.0001064800000000, 0.0000450700000000 ] - [ 0.0001076000000000, -0.0002648000000000, 0.0000832200000000 ] - [ 0.0000165500000000, 0.0000659100000000, -0.0002378700000000 ] - [ 0.0002929300000000, -0.0001334300000000, -0.0000058900000000 ] - [ -0.0007491600000000, 0.0006016100000000, -0.0002973500000000 ] - [ -0.0002573200000000, -0.0001892700000000, 0.0000095400000000 ] - [ -0.0000026400000000, 0.0002482300000000, -0.0001430800000000 ] - [ -0.0000070200000000, -0.0000016800000000, 0.0000042500000000 ] - [ -0.0000375700000000, 0.0003212900000000, -0.0000249100000000 ] - [ 0.0001180600000000, -0.0003290800000000, -0.0001202900000000 ] - [ -0.0000429800000000, 0.0000319700000000, 0.0001220600000000 ] - [ 0.0000451900000000, -0.0000160900000000, -0.0001611900000000 ] - [ -0.0000520700000000, -0.0000002000000000, -0.0001594700000000 ] - [ -0.0001214500000000, 0.0001990300000000, -0.0002910100000000 ] - [ -0.0003116500000000, 0.0001168800000000, 0.0000371100000000 ]- atom: 19 displacement: [ -0.0050000000079449, 0.0086602540332574, 0.0000000000000000 ] forces: - [ -0.0018887400000000, 0.0010803400000000, 0.0011285400000000 ] - [ 0.0000571200000000, -0.0003668600000000, -0.0001122200000000 ] - [ -0.0003317400000000, 0.0001185600000000, -0.0000905300000000 ] - [ -0.0041677200000000, -0.0030993400000000, -0.0022140700000000 ] - [ 0.0003271800000000, 0.0002298600000000, -0.0001554200000000 ] - [ -0.0498267300000000, 0.0483641400000000, -0.0013823200000000 ] - [ 0.0004150200000000, -0.0001671900000000, 0.0001675500000000 ] - [ 0.0000395400000000, -0.0003725900000000, -0.0000623700000000 ] - [ -0.0003529400000000, 0.0001514300000000, -0.0000620400000000 ] - [ -0.0000336700000000, 0.0003870200000000, 0.0001371500000000 ] - [ 0.0002879200000000, 0.0002111900000000, -0.0000505500000000 ] - [ -0.0003026200000000, -0.0002634900000000, 0.0001555600000000 ] - [ 0.0003771200000000, -0.0001560600000000, 0.0001661100000000 ] - [ -0.0018145800000000, -0.0009940400000000, -0.0005273100000000 ] - [ -0.0134698700000000, 0.0054966300000000, 0.0201280600000000 ] - [ -0.0000535600000000, 0.0003823500000000, 0.0001526500000000 ] - [ -0.0017210400000000, -0.0003521300000000, 0.0015410800000000 ] - [ -0.0003000800000000, -0.0002264600000000, 0.0001338100000000 ] - [ 0.0789743300000000, -0.0598037400000000, -0.0200411900000000 ] - [ 0.0006048800000000, -0.0007854900000000, 0.0000497500000000 ] - [ 0.0001409400000000, 0.0000121100000000, 0.0001114800000000 ] - [ -0.0032972600000000, 0.0037804900000000, -0.0009483300000000 ] - [ -0.0000698000000000, -0.0005232500000000, -0.0001851300000000 ] - [ -0.0004474000000000, 0.0001780300000000, -0.0003402000000000 ] - [ 0.0002830300000000, 0.0003563100000000, -0.0003066600000000 ] - [ -0.0000095600000000, -0.0000074800000000, 0.0000003400000000 ] - [ 0.0000987300000000, -0.0004511600000000, -0.0004114800000000 ] - [ -0.0001028900000000, -0.0001378500000000, 0.0001542900000000 ] - [ 0.0026257500000000, 0.0036396300000000, 0.0009708200000000 ] - [ -0.0000664200000000, 0.0001363700000000, 0.0001394300000000 ] - [ -0.0020054300000000, -0.0005535200000000, -0.0023548600000000 ] - [ -0.0029535300000000, 0.0017588600000000, 0.0001668800000000 ] - [ 0.0000771100000000, 0.0001168100000000, -0.0001347000000000 ] - [ 0.0003842100000000, -0.0001380400000000, 0.0003159700000000 ] - [ 0.0001492100000000, -0.0000289700000000, 0.0001340000000000 ] - [ -0.0003153700000000, -0.0002775500000000, 0.0003209500000000 ] - [ 0.0000864700000000, -0.0001559300000000, -0.0001267100000000 ] - [ -0.0004122700000000, 0.0001372800000000, -0.0003749800000000 ] - [ 0.0003421600000000, 0.0003171300000000, -0.0003852100000000 ] - [ -0.0000117400000000, -0.0000030600000000, -0.0000036500000000 ] - [ 0.0000930200000000, -0.0004479300000000, -0.0003766700000000 ] - [ -0.0000973900000000, -0.0001316900000000, 0.0001468800000000 ] - [ -0.0001170200000000, 0.0004623500000000, 0.0003377200000000 ] - [ -0.0000575600000000, 0.0001655400000000, 0.0001408800000000 ] - [ 0.0000147900000000, -0.0000186500000000, -0.0000029700000000 ] - [ -0.0001593200000000, 0.0000393300000000, -0.0001336000000000 ] - [ 0.0001092600000000, 0.0001211400000000, -0.0001634100000000 ] - [ 0.0004032200000000, -0.0001526600000000, 0.0003112800000000 ] - [ 0.0023767200000000, -0.0001649400000000, -0.0011188800000000 ] - [ -0.0003553900000000, -0.0002647500000000, 0.0003597300000000 ] - [ 0.0000641800000000, -0.0001584900000000, -0.0001445700000000 ] - [ 0.0001684500000000, -0.0014160400000000, -0.0009318800000000 ] - [ 0.0004506600000000, 0.0005357800000000, -0.0005757600000000 ] - [ -0.0004737600000000, -0.0002256300000000, 0.0007850600000000 ] - [ -0.0003494500000000, 0.0003220600000000, -0.0003788900000000 ] - [ 0.0000096500000000, -0.0002878600000000, 0.0002001500000000 ] - [ -0.0000893800000000, 0.0004519900000000, 0.0003199700000000 ] - [ -0.0010201300000000, 0.0038344600000000, 0.0036122200000000 ] - [ 0.0000024000000000, -0.0000026200000000, -0.0000076400000000 ] - [ -0.0001633700000000, 0.0000343200000000, -0.0001511500000000 ] - [ -0.0000179700000000, -0.0000541700000000, 0.0001530300000000 ] - [ 0.0005348000000000, -0.0008978200000000, 0.0004335300000000 ] - [ 0.0000463300000000, -0.0006394700000000, 0.0019049800000000 ] - [ -0.0000018600000000, -0.0000057200000000, -0.0000395700000000 ] - [ -0.0000958400000000, 0.0000586900000000, 0.0000236000000000 ] - [ 0.0002545800000000, 0.0002011100000000, -0.0000328100000000 ] - [ -0.0010805400000000, -0.0011031400000000, 0.0004232400000000 ] - [ 0.0005147700000000, 0.0001496900000000, 0.0002459700000000 ] - [ 0.0000786600000000, -0.0003406900000000, -0.0000115100000000 ] - [ 0.0000091000000000, 0.0000537300000000, 0.0002005700000000 ] - [ -0.0009479300000000, 0.0001511300000000, -0.0007448700000000 ] - [ 0.0000563000000000, -0.0001134200000000, -0.0000235200000000 ] - [ -0.0000667500000000, 0.0000329000000000, 0.0000167900000000 ] - [ -0.0003153000000000, 0.0001163900000000, 0.0000582100000000 ] - [ -0.0000504800000000, -0.0000247900000000, 0.0001608800000000 ] - [ 0.0000435000000000, 0.0000213600000000, -0.0001627600000000 ] - [ 0.0003204700000000, -0.0001105400000000, 0.0000038000000000 ] - [ -0.0000005100000000, 0.0000002400000000, -0.0000044500000000 ] - [ -0.0002500900000000, -0.0002170300000000, 0.0000078500000000 ] - [ 0.0002521200000000, 0.0002317700000000, 0.0000520800000000 ] - [ 0.0000016400000000, 0.0000006200000000, 0.0000451800000000 ] - [ -0.0000666900000000, 0.0003277600000000, 0.0000063500000000 ] - [ 0.0000702600000000, -0.0003363000000000, 0.0000502300000000 ] - [ 0.0000045500000000, 0.0000580100000000, 0.0001613800000000 ] - [ 0.0000038100000000, -0.0000524100000000, -0.0001610000000000 ] - [ -0.0000373900000000, 0.0000278000000000, -0.0001628400000000 ] - [ 0.0000442100000000, -0.0000339100000000, 0.0001646600000000 ] - [ -0.0003240600000000, 0.0001097000000000, 0.0000483900000000 ] - [ -0.0000839700000000, -0.0000176400000000, 0.0002899700000000 ] - [ 0.0000448100000000, 0.0000396700000000, -0.0002479400000000 ] - [ 0.0003157500000000, -0.0001196400000000, -0.0000140700000000 ] - [ -0.0008744700000000, 0.0009009500000000, -0.0003763300000000 ] - [ -0.0002551700000000, -0.0002126000000000, -0.0000027000000000 ] - [ -0.0000046300000000, 0.0006579600000000, 0.0001066300000000 ] - [ -0.0000004700000000, -0.0000004400000000, -0.0000340300000000 ] - [ -0.0000510500000000, 0.0003312400000000, -0.0000237500000000 ] - [ 0.0000702400000000, -0.0002968300000000, -0.0000734600000000 ] - [ -0.0000081700000000, -0.0000179000000000, 0.0002346800000000 ] - [ 0.0000013100000000, -0.0000455500000000, -0.0001783000000000 ] - [ -0.0000435600000000, 0.0000338200000000, -0.0001976200000000 ] - [ -0.0000023300000000, 0.0003110000000000, -0.0003062200000000 ] - [ -0.0002133600000000, 0.0001384000000000, -0.0000272400000000 ]- atom: 19 displacement: [ 0.0050000000079449, -0.0086602540332574, 0.0000000000000000 ] forces: - [ 0.0025676600000000, -0.0013662600000000, -0.0010139800000000 ] - [ 0.0000408300000000, -0.0003828700000000, -0.0001578200000000 ] - [ -0.0003678800000000, 0.0001725000000000, -0.0001916000000000 ] - [ 0.0039803500000000, 0.0037430000000000, 0.0023349900000000 ] - [ 0.0002776200000000, 0.0002224500000000, -0.0001201500000000 ] - [ 0.0515577200000000, -0.0504632900000000, 0.0015005700000000 ] - [ 0.0003342700000000, -0.0001411500000000, 0.0000920700000000 ] - [ 0.0000485600000000, -0.0003886400000000, -0.0000872200000000 ] - [ -0.0003532800000000, 0.0001485400000000, -0.0000817800000000 ] - [ -0.0000592100000000, 0.0003880500000000, 0.0001184500000000 ] - [ 0.0003092300000000, 0.0002312900000000, -0.0000796900000000 ] - [ -0.0003081600000000, -0.0002320000000000, 0.0000944000000000 ] - [ 0.0003444300000000, -0.0001370400000000, 0.0000912800000000 ] - [ 0.0019105200000000, 0.0002770900000000, 0.0003027000000000 ] - [ 0.0128931400000000, -0.0051372400000000, -0.0205060100000000 ] - [ -0.0000471600000000, 0.0003706000000000, 0.0001005300000000 ] - [ 0.0023555400000000, 0.0008376300000000, -0.0018081100000000 ] - [ -0.0003071800000000, -0.0002326200000000, 0.0001150600000000 ] - [ -0.0810945400000000, 0.0619082500000000, 0.0198721500000000 ] - [ 0.0001971000000000, 0.0005290400000000, 0.0005289400000000 ] - [ 0.0002088500000000, -0.0001477600000000, 0.0001963600000000 ] - [ 0.0027089700000000, -0.0044582900000000, 0.0016006400000000 ] - [ 0.0000917500000000, 0.0001338100000000, -0.0001569600000000 ] - [ -0.0003179200000000, 0.0000880000000000, -0.0002351500000000 ] - [ 0.0003373300000000, 0.0001613600000000, -0.0002566300000000 ] - [ 0.0000105400000000, 0.0000020200000000, 0.0001805000000000 ] - [ 0.0000554000000000, -0.0003403400000000, -0.0001576100000000 ] - [ -0.0002236800000000, -0.0000985300000000, 0.0001790000000000 ] - [ -0.0028435300000000, -0.0029060800000000, -0.0004661100000000 ] - [ 0.0000262300000000, 0.0002574300000000, 0.0001845700000000 ] - [ 0.0020177900000000, 0.0005480900000000, 0.0022107100000000 ] - [ 0.0026301300000000, -0.0016319300000000, -0.0005069200000000 ] - [ 0.0002261900000000, 0.0001102100000000, -0.0001786400000000 ] - [ 0.0003225900000000, -0.0001294300000000, 0.0002611500000000 ] - [ 0.0001994900000000, -0.0001453600000000, 0.0001997900000000 ] - [ -0.0002721100000000, -0.0002124500000000, 0.0002610300000000 ] - [ -0.0000344400000000, -0.0002434400000000, -0.0001852000000000 ] - [ -0.0003087400000000, 0.0001254800000000, -0.0002106100000000 ] - [ 0.0002623200000000, 0.0002036800000000, -0.0002102900000000 ] - [ -0.0000003300000000, -0.0000007700000000, 0.0001868400000000 ] - [ 0.0000472700000000, -0.0003333800000000, -0.0002120000000000 ] - [ -0.0002248100000000, -0.0001018700000000, 0.0001998400000000 ] - [ -0.0000406700000000, 0.0003303300000000, 0.0002541000000000 ] - [ 0.0000245000000000, 0.0002484400000000, 0.0001922700000000 ] - [ -0.0000069300000000, 0.0000100400000000, -0.0001886000000000 ] - [ -0.0002036900000000, 0.0001389500000000, -0.0001853100000000 ] - [ 0.0002303100000000, 0.0001103000000000, -0.0001942500000000 ] - [ 0.0003110800000000, -0.0001121300000000, 0.0002773900000000 ] - [ -0.0020213300000000, -0.0000248800000000, 0.0014864700000000 ] - [ -0.0002389400000000, -0.0002346300000000, 0.0002341900000000 ] - [ -0.0000263000000000, -0.0002567400000000, -0.0001924000000000 ] - [ -0.0009132900000000, 0.0016902200000000, 0.0004049600000000 ] - [ 0.0001441600000000, -0.0000403700000000, -0.0000082900000000 ] - [ 0.0004755100000000, 0.0002322500000000, -0.0005810400000000 ] - [ 0.0004879700000000, -0.0010900200000000, -0.0002348700000000 ] - [ -0.0003385000000000, 0.0000620200000000, 0.0001431100000000 ] - [ -0.0000585900000000, 0.0003293700000000, 0.0002804100000000 ] - [ 0.0010001100000000, -0.0034796100000000, -0.0033090000000000 ] - [ 0.0000028300000000, 0.0000025500000000, -0.0001864200000000 ] - [ -0.0002009000000000, 0.0001463400000000, -0.0001923900000000 ] - [ -0.0000524900000000, -0.0000257300000000, 0.0001524700000000 ] - [ -0.0004566000000000, 0.0009966600000000, -0.0007255200000000 ] - [ 0.0005910700000000, 0.0004123600000000, -0.0019397700000000 ] - [ -0.0000003900000000, 0.0000057900000000, -0.0000803500000000 ] - [ -0.0004223700000000, -0.0004957500000000, -0.0001020000000000 ] - [ 0.0002624600000000, 0.0002431800000000, 0.0000328200000000 ] - [ 0.0011070900000000, 0.0011176600000000, -0.0003638400000000 ] - [ -0.0006376400000000, 0.0005165600000000, -0.0003194600000000 ] - [ 0.0000372100000000, -0.0003258600000000, 0.0000073700000000 ] - [ -0.0000427700000000, 0.0000497700000000, 0.0000999700000000 ] - [ 0.0010203600000000, -0.0002647500000000, 0.0004913100000000 ] - [ -0.0001795000000000, 0.0001313600000000, -0.0002451700000000 ] - [ 0.0001774600000000, -0.0000494900000000, 0.0002918300000000 ] - [ -0.0003314400000000, 0.0001068400000000, -0.0000559300000000 ] - [ -0.0000246800000000, -0.0000626500000000, 0.0001127100000000 ] - [ 0.0000336800000000, 0.0000502200000000, -0.0001507200000000 ] - [ 0.0003299600000000, -0.0001091700000000, -0.0000128700000000 ] - [ 0.0000019500000000, -0.0000055200000000, -0.0000561800000000 ] - [ -0.0002585600000000, -0.0002298000000000, -0.0000152800000000 ] - [ 0.0002587400000000, 0.0002100200000000, 0.0000350900000000 ] - [ 0.0000021100000000, 0.0000018500000000, 0.0000723600000000 ] - [ -0.0000642000000000, 0.0003448400000000, -0.0000162700000000 ] - [ 0.0000554300000000, -0.0003290500000000, 0.0000298900000000 ] - [ -0.0000423300000000, 0.0000527100000000, 0.0001208200000000 ] - [ 0.0000290000000000, -0.0000528200000000, -0.0001524400000000 ] - [ -0.0000621400000000, -0.0000049300000000, -0.0001537300000000 ] - [ 0.0000710400000000, 0.0000091500000000, 0.0001220500000000 ] - [ -0.0003114100000000, 0.0001108800000000, 0.0000298900000000 ] - [ 0.0000080700000000, -0.0000563900000000, 0.0000734800000000 ] - [ 0.0000305400000000, 0.0000288100000000, -0.0001200200000000 ] - [ 0.0003352100000000, -0.0000921200000000, -0.0000403500000000 ] - [ 0.0008304800000000, -0.0008734000000000, 0.0003993200000000 ] - [ -0.0002505400000000, -0.0002397400000000, -0.0000511700000000 ] - [ 0.0005176300000000, -0.0002259500000000, -0.0000560900000000 ] - [ 0.0000023900000000, 0.0000056100000000, -0.0000178400000000 ] - [ -0.0000837500000000, 0.0003372900000000, -0.0000302300000000 ] - [ 0.0000620600000000, -0.0003751600000000, 0.0001244200000000 ] - [ -0.0000148300000000, 0.0001186000000000, 0.0001381100000000 ] - [ 0.0000290000000000, -0.0000536300000000, -0.0001914500000000 ] - [ -0.0000575400000000, -0.0000077000000000, -0.0001755000000000 ] - [ 0.0001138100000000, -0.0003281500000000, 0.0006639300000000 ] - [ -0.0004397700000000, 0.0000673900000000, 0.0000849000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009994100000000, 0.0000347900000000, -0.0005115500000000 ] - [ 0.0000490400000000, -0.0003862000000000, -0.0001891600000000 ] - [ -0.0003347800000000, 0.0001467200000000, -0.0001781400000000 ] - [ 0.0018731400000000, 0.0003181400000000, 0.0033533900000000 ] - [ 0.0002985400000000, 0.0002192500000000, -0.0001767100000000 ] - [ 0.0022680600000000, -0.0008297500000000, 0.0033472300000000 ] - [ 0.0002362900000000, -0.0001241600000000, -0.0000422000000000 ] - [ 0.0000485500000000, -0.0003894500000000, -0.0001441400000000 ] - [ -0.0003501100000000, 0.0001598100000000, -0.0001333500000000 ] - [ -0.0000133700000000, 0.0002767900000000, -0.0000256100000000 ] - [ 0.0003145600000000, 0.0002333400000000, -0.0001309700000000 ] - [ -0.0002241200000000, -0.0001566400000000, -0.0000311000000000 ] - [ 0.0002574600000000, -0.0001162000000000, -0.0000157700000000 ] - [ -0.0007179000000000, -0.0011998300000000, 0.0012453700000000 ] - [ -0.0339360700000000, 0.0041472100000000, 0.0516943100000000 ] - [ -0.0000279500000000, 0.0002848000000000, -0.0000240200000000 ] - [ 0.0003531300000000, 0.0012877300000000, 0.0007256500000000 ] - [ -0.0002359600000000, -0.0001594800000000, -0.0000219400000000 ] - [ 0.0308675000000000, -0.0048987200000000, -0.0750617000000000 ] - [ -0.0007799900000000, -0.0006063800000000, -0.0003298900000000 ] - [ 0.0001879200000000, -0.0000953700000000, 0.0002201500000000 ] - [ 0.0012274900000000, -0.0034480000000000, -0.0009487200000000 ] - [ 0.0003332700000000, -0.0001582100000000, -0.0006950600000000 ] - [ -0.0003353300000000, 0.0001215400000000, -0.0000175800000000 ] - [ 0.0002327400000000, 0.0002198200000000, -0.0000251000000000 ] - [ -0.0000079400000000, 0.0000047700000000, 0.0001707400000000 ] - [ -0.0000538500000000, -0.0003642000000000, 0.0000299200000000 ] - [ -0.0001750400000000, -0.0001074100000000, 0.0002202100000000 ] - [ 0.0033909700000000, 0.0030791000000000, -0.0014417700000000 ] - [ -0.0000093000000000, 0.0002115100000000, 0.0002175800000000 ] - [ 0.0036533000000000, -0.0005798300000000, 0.0009334000000000 ] - [ 0.0000458800000000, 0.0000220000000000, -0.0006879100000000 ] - [ 0.0001982800000000, 0.0001121600000000, -0.0001299100000000 ] - [ 0.0003694000000000, -0.0001286800000000, 0.0004594000000000 ] - [ 0.0001850800000000, -0.0000955700000000, 0.0002336500000000 ] - [ -0.0002944200000000, -0.0002479700000000, 0.0004567300000000 ] - [ -0.0000093900000000, -0.0002213200000000, -0.0001304300000000 ] - [ -0.0003087400000000, 0.0001226100000000, -0.0000394800000000 ] - [ 0.0002608300000000, 0.0002045200000000, -0.0000389400000000 ] - [ 0.0000025100000000, -0.0000027600000000, 0.0001573700000000 ] - [ 0.0000443100000000, -0.0003243700000000, -0.0000363500000000 ] - [ -0.0001770400000000, -0.0001157000000000, 0.0002248900000000 ] - [ -0.0000675200000000, 0.0003747100000000, 0.0004552200000000 ] - [ -0.0000061200000000, 0.0002079900000000, 0.0002272000000000 ] - [ -0.0000062000000000, 0.0000060600000000, -0.0001127700000000 ] - [ -0.0001948700000000, 0.0001119900000000, -0.0001329400000000 ] - [ 0.0001968100000000, 0.0001082400000000, -0.0001376500000000 ] - [ 0.0003877700000000, -0.0001126700000000, 0.0004305200000000 ] - [ -0.0021927900000000, -0.0027449100000000, 0.0014422800000000 ] - [ -0.0002942200000000, -0.0002376300000000, 0.0004949800000000 ] - [ -0.0000061800000000, -0.0002242400000000, -0.0001397200000000 ] - [ -0.0006344400000000, -0.0001196500000000, 0.0066689700000000 ] - [ 0.0007752000000000, 0.0004630100000000, -0.0001281400000000 ] - [ -0.0020561800000000, 0.0003615400000000, 0.0022535900000000 ] - [ -0.0003766900000000, -0.0010516300000000, -0.0001651100000000 ] - [ -0.0001151100000000, 0.0000129400000000, -0.0001472200000000 ] - [ -0.0000236700000000, 0.0004173400000000, 0.0004192800000000 ] - [ -0.0012955900000000, 0.0040763600000000, 0.0014520000000000 ] - [ -0.0000052700000000, 0.0000013300000000, -0.0001005100000000 ] - [ -0.0001994700000000, 0.0001092000000000, -0.0001425700000000 ] - [ 0.0000297600000000, -0.0001247300000000, 0.0000301500000000 ] - [ -0.0004882100000000, 0.0001564800000000, 0.0018232700000000 ] - [ -0.0008076700000000, 0.0005860100000000, 0.0039575100000000 ] - [ 0.0000135100000000, 0.0000148200000000, -0.0001250100000000 ] - [ 0.0000371400000000, -0.0000388900000000, 0.0001636400000000 ] - [ 0.0002360600000000, 0.0001543500000000, -0.0001167800000000 ] - [ -0.0000039000000000, 0.0001111900000000, 0.0008146200000000 ] - [ -0.0001251500000000, 0.0002008900000000, 0.0002681800000000 ] - [ 0.0000063300000000, -0.0002871400000000, -0.0000983600000000 ] - [ -0.0000881600000000, 0.0000303500000000, 0.0000357400000000 ] - [ -0.0001167900000000, 0.0001397400000000, 0.0000978200000000 ] - [ -0.0001444300000000, -0.0003123700000000, 0.0003455200000000 ] - [ 0.0001276300000000, 0.0000508900000000, 0.0000424500000000 ] - [ -0.0001692000000000, 0.0001697100000000, -0.0001610200000000 ] - [ -0.0000029600000000, -0.0000935900000000, 0.0000283700000000 ] - [ 0.0000430700000000, 0.0000320900000000, -0.0001782600000000 ] - [ 0.0003594100000000, -0.0000913100000000, -0.0000499300000000 ] - [ -0.0000014300000000, -0.0000026700000000, -0.0000875100000000 ] - [ -0.0002596500000000, -0.0002636200000000, -0.0000535000000000 ] - [ 0.0002432000000000, 0.0001520000000000, -0.0000668000000000 ] - [ -0.0000006300000000, 0.0000024600000000, 0.0000006400000000 ] - [ -0.0000921900000000, 0.0003589000000000, -0.0000499900000000 ] - [ 0.0000095500000000, -0.0002877600000000, -0.0000691400000000 ] - [ -0.0000802900000000, 0.0000490700000000, 0.0000307800000000 ] - [ 0.0000086900000000, -0.0000524400000000, -0.0001766400000000 ] - [ -0.0000513200000000, 0.0000151500000000, -0.0001807900000000 ] - [ 0.0000835600000000, 0.0000447800000000, 0.0000316500000000 ] - [ -0.0002527000000000, 0.0001343800000000, -0.0000670700000000 ] - [ -0.0001762100000000, -0.0000510800000000, 0.0002612100000000 ] - [ 0.0000398400000000, 0.0000349700000000, -0.0002587000000000 ] - [ 0.0003352000000000, -0.0001203400000000, -0.0000614800000000 ] - [ -0.0004723000000000, 0.0005825400000000, -0.0001411900000000 ] - [ -0.0002683300000000, -0.0002642600000000, -0.0000646000000000 ] - [ 0.0003815500000000, -0.0002904500000000, -0.0002294000000000 ] - [ -0.0000076500000000, -0.0000105500000000, -0.0000848100000000 ] - [ -0.0000890300000000, 0.0003609200000000, -0.0001058400000000 ] - [ -0.0001355100000000, -0.0003162900000000, -0.0001662000000000 ] - [ 0.0000790100000000, 0.0000721600000000, 0.0001770800000000 ] - [ -0.0000083000000000, -0.0000465200000000, -0.0001532500000000 ] - [ -0.0000599100000000, 0.0000161100000000, -0.0001857700000000 ] - [ 0.0005670400000000, 0.0006744100000000, -0.0002913000000000 ] - [ -0.0002916200000000, 0.0002992600000000, -0.0000052100000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015648000000000, -0.0003142500000000, 0.0005401300000000 ] - [ -0.0000006600000000, -0.0002386500000000, 0.0000367300000000 ] - [ -0.0002101900000000, 0.0001287100000000, 0.0000405500000000 ] - [ -0.0021127800000000, 0.0002160300000000, -0.0033307100000000 ] - [ 0.0002183600000000, 0.0001382400000000, 0.0000264800000000 ] - [ -0.0029701400000000, 0.0006167400000000, -0.0033336300000000 ] - [ 0.0003087100000000, -0.0001412300000000, 0.0001633500000000 ] - [ -0.0000002200000000, -0.0002547100000000, 0.0000955300000000 ] - [ -0.0002150600000000, 0.0001213000000000, 0.0001060700000000 ] - [ -0.0000364800000000, 0.0003624400000000, 0.0001746300000000 ] - [ 0.0002176300000000, 0.0001268000000000, 0.0000964000000000 ] - [ -0.0002964600000000, -0.0002047800000000, 0.0001700500000000 ] - [ 0.0003125500000000, -0.0001494900000000, 0.0001628100000000 ] - [ 0.0007874600000000, 0.0006154600000000, -0.0013656200000000 ] - [ 0.0347417100000000, -0.0040780000000000, -0.0534665100000000 ] - [ -0.0000294900000000, 0.0003522100000000, 0.0001892100000000 ] - [ 0.0002071600000000, -0.0009312000000000, -0.0008886500000000 ] - [ -0.0002922200000000, -0.0002021600000000, 0.0001830100000000 ] - [ -0.0314840100000000, 0.0052262100000000, 0.0765163400000000 ] - [ 0.0014359500000000, 0.0003509500000000, 0.0007981700000000 ] - [ 0.0002105800000000, -0.0001600600000000, 0.0001459400000000 ] - [ -0.0017707300000000, 0.0030173500000000, 0.0013893300000000 ] - [ -0.0003837600000000, -0.0003336100000000, 0.0003198900000000 ] - [ -0.0003363000000000, 0.0001334400000000, -0.0004707400000000 ] - [ 0.0003177600000000, 0.0002205200000000, -0.0004512700000000 ] - [ 0.0000153000000000, -0.0000091100000000, 0.0001623900000000 ] - [ 0.0001612800000000, -0.0003339900000000, -0.0005109900000000 ] - [ -0.0002545700000000, -0.0001073400000000, 0.0001325400000000 ] - [ -0.0034971300000000, -0.0023601400000000, 0.0018618400000000 ] - [ 0.0000427200000000, 0.0002642600000000, 0.0001454500000000 ] - [ -0.0036403500000000, 0.0005686800000000, -0.0012513000000000 ] - [ -0.0004570400000000, 0.0002520000000000, 0.0003352400000000 ] - [ 0.0002350200000000, 0.0001031000000000, -0.0002320500000000 ] - [ 0.0002988000000000, -0.0001282900000000, 0.0000242300000000 ] - [ 0.0002114700000000, -0.0001657700000000, 0.0001528000000000 ] - [ -0.0002518000000000, -0.0001891900000000, 0.0000200100000000 ] - [ -0.0000293600000000, -0.0002512700000000, -0.0002407400000000 ] - [ -0.0003546000000000, 0.0001258500000000, -0.0004488200000000 ] - [ 0.0002841000000000, 0.0002408400000000, -0.0004434900000000 ] - [ 0.0000042900000000, -0.0000016000000000, 0.0001645700000000 ] - [ 0.0000671500000000, -0.0003690300000000, -0.0004451400000000 ] - [ -0.0002516400000000, -0.0000961600000000, 0.0001475600000000 ] - [ -0.0000388500000000, 0.0003167600000000, 0.0000225700000000 ] - [ 0.0000451300000000, 0.0002655900000000, 0.0001516100000000 ] - [ -0.0000076900000000, 0.0000018000000000, -0.0002296100000000 ] - [ -0.0002101700000000, 0.0001452400000000, -0.0002412300000000 ] - [ 0.0002475500000000, 0.0001066000000000, -0.0002460900000000 ] - [ 0.0002702100000000, -0.0001395500000000, 0.0000580400000000 ] - [ 0.0026276900000000, 0.0025054100000000, -0.0010647100000000 ] - [ -0.0002491400000000, -0.0002017300000000, -0.0000157900000000 ] - [ -0.0000323500000000, -0.0002636300000000, -0.0002538400000000 ] - [ -0.0000364400000000, 0.0003612400000000, -0.0073231400000000 ] - [ -0.0002353900000000, -0.0000306100000000, -0.0003471600000000 ] - [ 0.0020756700000000, -0.0003450000000000, -0.0019520800000000 ] - [ 0.0005002600000000, 0.0003360700000000, -0.0003296600000000 ] - [ -0.0003196200000000, -0.0002157800000000, 0.0005505400000000 ] - [ -0.0000869500000000, 0.0002699700000000, 0.0000631000000000 ] - [ 0.0013109100000000, -0.0036286400000000, -0.0010591400000000 ] - [ -0.0000054600000000, 0.0000035400000000, -0.0002405900000000 ] - [ -0.0002072200000000, 0.0001570000000000, -0.0002530600000000 ] - [ -0.0000714800000000, 0.0000183300000000, 0.0002215000000000 ] - [ 0.0005247700000000, -0.0000564000000000, -0.0019771700000000 ] - [ 0.0013977500000000, -0.0007834100000000, -0.0038967400000000 ] - [ -0.0000140300000000, -0.0000158800000000, -0.0000107200000000 ] - [ -0.0005388900000000, -0.0003836500000000, -0.0002036600000000 ] - [ 0.0002681300000000, 0.0002720200000000, 0.0000829000000000 ] - [ -0.0000067100000000, -0.0001173000000000, -0.0007361800000000 ] - [ 0.0000228500000000, 0.0004429400000000, -0.0002999800000000 ] - [ 0.0001077700000000, -0.0003622200000000, 0.0000646700000000 ] - [ 0.0000204400000000, 0.0000612100000000, 0.0002146200000000 ] - [ 0.0002098100000000, -0.0002409900000000, -0.0003008100000000 ] - [ 0.0000197400000000, 0.0003005600000000, -0.0005646900000000 ] - [ -0.0000154700000000, -0.0000340200000000, 0.0002056800000000 ] - [ -0.0004538900000000, 0.0000523500000000, 0.0001299700000000 ] - [ -0.0000448500000000, -0.0000258600000000, 0.0001892500000000 ] - [ 0.0000060400000000, 0.0000708800000000, -0.0000749900000000 ] - [ 0.0002674400000000, -0.0001298300000000, 0.0000799800000000 ] - [ -0.0000009800000000, -0.0000003800000000, 0.0000159500000000 ] - [ -0.0002439900000000, -0.0001639200000000, 0.0000827300000000 ] - [ 0.0002557500000000, 0.0002678900000000, 0.0001122700000000 ] - [ 0.0000013800000000, -0.0000004500000000, 0.0001377800000000 ] - [ -0.0000208500000000, 0.0002958700000000, 0.0000806400000000 ] - [ 0.0001030900000000, -0.0003588300000000, 0.0001116900000000 ] - [ 0.0000024900000000, 0.0000517200000000, 0.0001920200000000 ] - [ 0.0000592400000000, -0.0000428000000000, -0.0000760600000000 ] - [ -0.0000640600000000, -0.0000330200000000, -0.0000739400000000 ] - [ 0.0000405300000000, -0.0000291100000000, 0.0001894200000000 ] - [ -0.0003609400000000, 0.0000905900000000, 0.0001120300000000 ] - [ 0.0001312800000000, -0.0000597500000000, 0.0000461100000000 ] - [ 0.0000094500000000, 0.0000678000000000, -0.0000479800000000 ] - [ 0.0002912600000000, -0.0000984400000000, 0.0000451600000000 ] - [ 0.0004702300000000, -0.0005834800000000, 0.0001660500000000 ] - [ -0.0002281100000000, -0.0001661600000000, 0.0000508000000000 ] - [ 0.0001127400000000, 0.0007226200000000, 0.0002473800000000 ] - [ 0.0000116300000000, 0.0000104500000000, 0.0000461800000000 ] - [ -0.0000303500000000, 0.0002876600000000, 0.0000945600000000 ] - [ 0.0002497200000000, -0.0003358500000000, 0.0001793300000000 ] - [ -0.0001469900000000, 0.0000199600000000, 0.0001260800000000 ] - [ 0.0000772600000000, -0.0000457300000000, -0.0001562600000000 ] - [ -0.0000520000000000, -0.0000303900000000, -0.0001250100000000 ] - [ -0.0004551900000000, -0.0006617000000000, 0.0005958400000000 ] - [ -0.0003279700000000, -0.0000786700000000, 0.0000122500000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0492399000000000, -0.0060272500000000, 0.0164898200000000 ] - [ 0.0000202000000000, -0.0001319500000000, 0.0000799600000000 ] - [ -0.0003139200000000, 0.0002197900000000, -0.0001498200000000 ] - [ 0.0019858800000000, -0.0014669000000000, 0.0010241200000000 ] - [ 0.0001826800000000, 0.0001182000000000, -0.0000167100000000 ] - [ 0.0023294300000000, 0.0010905900000000, 0.0007004300000000 ] - [ 0.0001605100000000, -0.0000900200000000, -0.0000514300000000 ] - [ 0.0000058700000000, -0.0002833800000000, -0.0000309900000000 ] - [ -0.0002442500000000, 0.0001364000000000, -0.0000277600000000 ] - [ 0.0000320500000000, 0.0002303300000000, -0.0000533800000000 ] - [ 0.0002394600000000, 0.0001466400000000, -0.0000295900000000 ] - [ -0.0002295100000000, -0.0000969700000000, -0.0000575500000000 ] - [ 0.0001826000000000, -0.0001140100000000, -0.0000486500000000 ] - [ -0.0004274000000000, 0.0009202200000000, 0.0028182400000000 ] - [ -0.0008364100000000, 0.0002431800000000, -0.0010678500000000 ] - [ 0.0000052600000000, 0.0002290000000000, -0.0000280300000000 ] - [ 0.0007355000000000, -0.0012434600000000, 0.0025585500000000 ] - [ -0.0001946100000000, -0.0001062300000000, -0.0000374200000000 ] - [ 0.0017335900000000, 0.0011060200000000, -0.0013278000000000 ] - [ -0.0841156300000000, -0.0058728800000000, -0.0025615500000000 ] - [ 0.0001953400000000, -0.0001615100000000, 0.0002241200000000 ] - [ 0.0046180900000000, -0.0014345900000000, -0.0006410900000000 ] - [ 0.0013661000000000, -0.0004379500000000, 0.0004252700000000 ] - [ -0.0001913500000000, 0.0003638300000000, 0.0000764500000000 ] - [ 0.0005704300000000, -0.0000738700000000, -0.0001216800000000 ] - [ 0.0000571000000000, -0.0000325600000000, 0.0001831700000000 ] - [ 0.0000446000000000, -0.0002305400000000, -0.0002130300000000 ] - [ -0.0002779800000000, -0.0000991300000000, 0.0001962900000000 ] - [ -0.0014391600000000, -0.0020598600000000, 0.0019044800000000 ] - [ 0.0000571100000000, 0.0002295200000000, 0.0002382800000000 ] - [ 0.0058938200000000, -0.0011211300000000, 0.0006565100000000 ] - [ 0.0016707500000000, 0.0015484500000000, 0.0018419900000000 ] - [ 0.0002552000000000, 0.0001031300000000, -0.0001475400000000 ] - [ 0.0003231200000000, -0.0001272800000000, 0.0003497300000000 ] - [ 0.0002149800000000, -0.0001683700000000, 0.0002316700000000 ] - [ -0.0002724100000000, -0.0002326400000000, 0.0003653900000000 ] - [ -0.0000478700000000, -0.0002858000000000, -0.0001549500000000 ] - [ -0.0003013400000000, 0.0001247400000000, -0.0001165900000000 ] - [ 0.0002579000000000, 0.0001965900000000, -0.0001158300000000 ] - [ 0.0000010400000000, -0.0000019700000000, 0.0002198700000000 ] - [ 0.0000409400000000, -0.0003209200000000, -0.0001148600000000 ] - [ -0.0002548800000000, -0.0001007900000000, 0.0002302700000000 ] - [ -0.0000534700000000, 0.0003564800000000, 0.0003695800000000 ] - [ 0.0000403300000000, 0.0002695900000000, 0.0002292000000000 ] - [ -0.0000002600000000, -0.0000000700000000, -0.0001935800000000 ] - [ -0.0002178200000000, 0.0001835100000000, -0.0001827700000000 ] - [ 0.0002671900000000, 0.0001015600000000, -0.0001780400000000 ] - [ 0.0003218800000000, -0.0001554800000000, 0.0003761600000000 ] - [ 0.0003032000000000, 0.0000826300000000, -0.0002558400000000 ] - [ -0.0002889700000000, -0.0002249900000000, 0.0003416000000000 ] - [ -0.0000461200000000, -0.0002817700000000, -0.0001794400000000 ] - [ -0.0005034600000000, 0.0002627100000000, -0.0005613300000000 ] - [ -0.0001472200000000, -0.0003511300000000, 0.0000710300000000 ] - [ 0.0002937000000000, -0.0000196700000000, 0.0003113000000000 ] - [ -0.0001017200000000, 0.0003669100000000, 0.0004206000000000 ] - [ -0.0006282600000000, 0.0003864500000000, -0.0000979600000000 ] - [ -0.0000758800000000, 0.0003435000000000, 0.0003530700000000 ] - [ 0.0008759000000000, 0.0000226100000000, -0.0001658200000000 ] - [ -0.0000012000000000, -0.0000002600000000, -0.0001874700000000 ] - [ -0.0002148900000000, 0.0001799100000000, -0.0001810400000000 ] - [ -0.0002257700000000, -0.0000274500000000, 0.0003528700000000 ] - [ 0.0006083500000000, 0.0003388800000000, 0.0025481800000000 ] - [ 0.0004860600000000, 0.0006886100000000, -0.0005998100000000 ] - [ 0.0000119100000000, -0.0000953900000000, -0.0001278000000000 ] - [ 0.0056362300000000, -0.0066816700000000, -0.0062011700000000 ] - [ 0.0003720900000000, -0.0000708600000000, -0.0005988800000000 ] - [ -0.0027393100000000, 0.0053571900000000, 0.0012609600000000 ] - [ -0.0006468400000000, 0.0006794800000000, -0.0002988100000000 ] - [ 0.0001771700000000, -0.0002634600000000, -0.0006369900000000 ] - [ -0.0001673000000000, -0.0002886300000000, -0.0000731600000000 ] - [ 0.0004312900000000, -0.0002781800000000, -0.0001329500000000 ] - [ 0.0133469400000000, 0.0149615800000000, -0.0173644600000000 ] - [ 0.0001011700000000, -0.0000070300000000, 0.0001480100000000 ] - [ -0.0002780300000000, 0.0000621500000000, -0.0001432500000000 ] - [ -0.0000133300000000, -0.0000738400000000, 0.0000729400000000 ] - [ 0.0000318800000000, 0.0000342000000000, -0.0001641500000000 ] - [ 0.0003406800000000, -0.0001014000000000, -0.0000363800000000 ] - [ -0.0000006600000000, -0.0000014600000000, -0.0000737300000000 ] - [ -0.0002524700000000, -0.0002401300000000, -0.0000282600000000 ] - [ 0.0002478400000000, 0.0001774000000000, -0.0000200100000000 ] - [ 0.0000034300000000, -0.0000056100000000, 0.0000342800000000 ] - [ -0.0000903200000000, 0.0003437800000000, -0.0000297100000000 ] - [ 0.0000297800000000, -0.0003046000000000, -0.0000209100000000 ] - [ -0.0000577500000000, 0.0000476300000000, 0.0000731500000000 ] - [ 0.0000101200000000, -0.0000468100000000, -0.0001705500000000 ] - [ -0.0000436900000000, 0.0000072400000000, -0.0001624800000000 ] - [ 0.0000696300000000, 0.0000251200000000, 0.0000718500000000 ] - [ -0.0002786700000000, 0.0001256100000000, -0.0000203000000000 ] - [ 0.0000548100000000, 0.0000024700000000, -0.0000646600000000 ] - [ 0.0000393400000000, 0.0000194900000000, -0.0001622800000000 ] - [ 0.0003489400000000, -0.0000971400000000, -0.0000587000000000 ] - [ -0.0000426200000000, -0.0004692400000000, -0.0002567600000000 ] - [ -0.0002527200000000, -0.0002330800000000, -0.0000458400000000 ] - [ 0.0002329700000000, 0.0002344400000000, 0.0000063500000000 ] - [ 0.0000051700000000, 0.0000022400000000, -0.0000506300000000 ] - [ -0.0000814700000000, 0.0003390700000000, -0.0000387600000000 ] - [ 0.0000019900000000, -0.0000693400000000, -0.0002057900000000 ] - [ -0.0002544700000000, -0.0001975900000000, -0.0001965200000000 ] - [ 0.0000190500000000, -0.0000516800000000, -0.0001994600000000 ] - [ -0.0000392000000000, 0.0000084400000000, -0.0002199400000000 ] - [ 0.0000229900000000, -0.0000361300000000, 0.0002205100000000 ] - [ -0.0002608800000000, -0.0000214200000000, -0.0003758000000000 ]- atom: 20 displacement: [ -0.0100000000000000, -0.0000000000097931, 0.0000000000000000 ] forces: - [ -0.0506521500000000, 0.0060717300000000, -0.0178615100000000 ] - [ 0.0000123800000000, -0.0004411100000000, -0.0001803900000000 ] - [ -0.0002257900000000, 0.0000367100000000, 0.0000169400000000 ] - [ -0.0020302900000000, 0.0020914800000000, -0.0009814100000000 ] - [ 0.0003164200000000, 0.0001869100000000, -0.0000988700000000 ] - [ -0.0028019600000000, -0.0014265200000000, -0.0007092900000000 ] - [ 0.0004057600000000, -0.0001948700000000, 0.0001852600000000 ] - [ 0.0000205300000000, -0.0002991000000000, 0.0000275800000000 ] - [ -0.0002801000000000, 0.0001357700000000, 0.0000231900000000 ] - [ -0.0000516300000000, 0.0003485400000000, 0.0001767600000000 ] - [ 0.0002547600000000, 0.0001690900000000, 0.0000264800000000 ] - [ -0.0002550700000000, -0.0002476200000000, 0.0001814500000000 ] - [ 0.0003579100000000, -0.0001531200000000, 0.0001856600000000 ] - [ 0.0004536100000000, -0.0015426200000000, -0.0030021700000000 ] - [ 0.0003544900000000, -0.0000134700000000, 0.0009632400000000 ] - [ -0.0000345500000000, 0.0003565000000000, 0.0001565000000000 ] - [ -0.0002777000000000, 0.0015560700000000, -0.0027596800000000 ] - [ -0.0003046400000000, -0.0002207100000000, 0.0001724000000000 ] - [ -0.0013354900000000, -0.0008652500000000, 0.0009455200000000 ] - [ 0.0867774200000000, 0.0054811500000000, 0.0043962700000000 ] - [ 0.0001835600000000, -0.0000626200000000, 0.0001117500000000 ] - [ -0.0051832300000000, 0.0008970100000000, 0.0011972300000000 ] - [ -0.0013889300000000, -0.0000080600000000, -0.0007901100000000 ] - [ -0.0005258400000000, -0.0001229800000000, -0.0006163700000000 ] - [ 0.0000241100000000, 0.0005740000000000, -0.0004326400000000 ] - [ -0.0000669400000000, 0.0000323700000000, 0.0000673700000000 ] - [ 0.0000887800000000, -0.0005298600000000, -0.0003258900000000 ] - [ -0.0001313600000000, -0.0001224200000000, 0.0001788500000000 ] - [ 0.0013036500000000, 0.0028163200000000, -0.0013234200000000 ] - [ -0.0000508900000000, 0.0002410600000000, 0.0001143900000000 ] - [ -0.0060271800000000, 0.0011568100000000, -0.0008723100000000 ] - [ -0.0020811200000000, -0.0013121900000000, -0.0022651000000000 ] - [ 0.0001328800000000, 0.0001117200000000, -0.0002079500000000 ] - [ 0.0003311200000000, -0.0001207500000000, 0.0001859700000000 ] - [ 0.0001736700000000, -0.0000774000000000, 0.0001266700000000 ] - [ -0.0002954000000000, -0.0002408000000000, 0.0001764200000000 ] - [ 0.0000548700000000, -0.0001913000000000, -0.0001853200000000 ] - [ -0.0003920300000000, 0.0001249100000000, -0.0004405000000000 ] - [ 0.0003110000000000, 0.0002893500000000, -0.0004451500000000 ] - [ -0.0000071000000000, 0.0000046800000000, 0.0000317500000000 ] - [ 0.0000978500000000, -0.0004226600000000, -0.0004484200000000 ] - [ -0.0001512200000000, -0.0001148000000000, 0.0001368400000000 ] - [ -0.0000959300000000, 0.0004048400000000, 0.0001845200000000 ] - [ -0.0000321200000000, 0.0001985000000000, 0.0001344500000000 ] - [ 0.0000212300000000, -0.0000164500000000, -0.0000766700000000 ] - [ -0.0001721300000000, 0.0000852600000000, -0.0001615200000000 ] - [ 0.0001476900000000, 0.0001179000000000, -0.0002013400000000 ] - [ 0.0003584100000000, -0.0000947300000000, 0.0001752500000000 ] - [ 0.0000922500000000, -0.0003159900000000, 0.0006348300000000 ] - [ -0.0002773400000000, -0.0002466300000000, 0.0002079300000000 ] - [ 0.0000335000000000, -0.0001930400000000, -0.0001924000000000 ] - [ -0.0002179000000000, -0.0000075400000000, -0.0000181500000000 ] - [ 0.0007254300000000, 0.0008241700000000, -0.0006290100000000 ] - [ -0.0002775500000000, -0.0000125300000000, 0.0000001200000000 ] - [ 0.0002137400000000, -0.0010297300000000, -0.0009661300000000 ] - [ 0.0001810000000000, -0.0006268900000000, 0.0004283800000000 ] - [ -0.0000628000000000, 0.0003937300000000, 0.0002000300000000 ] - [ -0.0008191800000000, 0.0004670100000000, 0.0005363700000000 ] - [ 0.0000053800000000, -0.0000017800000000, -0.0000750700000000 ] - [ -0.0001815100000000, 0.0000699100000000, -0.0001890700000000 ] - [ 0.0001788100000000, -0.0000625100000000, -0.0000768100000000 ] - [ -0.0005021400000000, -0.0002513800000000, -0.0027317400000000 ] - [ 0.0001323500000000, -0.0009103600000000, 0.0005469800000000 ] - [ -0.0000111100000000, 0.0000974600000000, 0.0000034100000000 ] - [ -0.0060831900000000, 0.0061862700000000, 0.0060763800000000 ] - [ 0.0001297800000000, 0.0005058300000000, 0.0005712300000000 ] - [ 0.0027881800000000, -0.0053045200000000, -0.0011764700000000 ] - [ 0.0005376400000000, -0.0000135900000000, 0.0002429900000000 ] - [ -0.0000668700000000, -0.0003829900000000, 0.0006052300000000 ] - [ 0.0001118100000000, 0.0003752000000000, 0.0003229700000000 ] - [ -0.0003788200000000, 0.0001850200000000, -0.0001040300000000 ] - [ -0.0134656900000000, -0.0151227600000000, 0.0173028700000000 ] - [ -0.0000000600000000, 0.0000125400000000, 0.0001104200000000 ] - [ -0.0003408800000000, 0.0001656300000000, 0.0001078400000000 ] - [ -0.0000419100000000, -0.0000202800000000, 0.0001595500000000 ] - [ 0.0000134500000000, 0.0000457900000000, -0.0001006000000000 ] - [ 0.0002823500000000, -0.0001188700000000, 0.0000629200000000 ] - [ -0.0000002100000000, 0.0000004400000000, 0.0000124100000000 ] - [ -0.0002404300000000, -0.0001915700000000, 0.0000575000000000 ] - [ 0.0002507500000000, 0.0002486900000000, 0.0000667400000000 ] - [ 0.0000001100000000, 0.0000025300000000, 0.0000894600000000 ] - [ -0.0000329500000000, 0.0002993900000000, 0.0000642900000000 ] - [ 0.0000874700000000, -0.0003406100000000, 0.0000653200000000 ] - [ -0.0000008800000000, 0.0000488800000000, 0.0001592900000000 ] - [ 0.0000435900000000, -0.0000352900000000, -0.0000923700000000 ] - [ -0.0000453900000000, -0.0000061700000000, -0.0001017500000000 ] - [ 0.0000397800000000, -0.0000231000000000, 0.0001597200000000 ] - [ -0.0003411000000000, 0.0000978500000000, 0.0000669200000000 ] - [ -0.0001028500000000, -0.0000782300000000, 0.0003821600000000 ] - [ 0.0000081700000000, 0.0000575700000000, -0.0001528700000000 ] - [ 0.0002765100000000, -0.0001187300000000, 0.0000435600000000 ] - [ 0.0000443100000000, 0.0004642400000000, 0.0003126000000000 ] - [ -0.0002417200000000, -0.0001999900000000, 0.0000327300000000 ] - [ 0.0002627800000000, 0.0002012200000000, 0.0000121600000000 ] - [ -0.0000036400000000, -0.0000018800000000, 0.0000048400000000 ] - [ -0.0000460100000000, 0.0003062900000000, 0.0000287200000000 ] - [ 0.0001202800000000, -0.0005795600000000, 0.0002241100000000 ] - [ 0.0002126000000000, 0.0002758400000000, 0.0005188100000000 ] - [ 0.0000314900000000, -0.0000294700000000, -0.0001149000000000 ] - [ -0.0000511400000000, -0.0000067900000000, -0.0000948000000000 ] - [ 0.0000721400000000, 0.0000344600000000, 0.0001026700000000 ] - [ -0.0003736800000000, 0.0002195600000000, 0.0003990600000000 ]- atom: 20 displacement: [ -0.0050000000079449, 0.0086602540332574, 0.0000000000000000 ] forces: - [ -0.0308257100000000, 0.0102137300000000, -0.0095402800000000 ] - [ 0.0000907100000000, -0.0002462100000000, 0.0001354400000000 ] - [ -0.0004483200000000, 0.0002100400000000, -0.0001184000000000 ] - [ -0.0000214800000000, 0.0009459000000000, -0.0003936100000000 ] - [ -0.0000129700000000, 0.0000063400000000, 0.0000497300000000 ] - [ -0.0011866900000000, -0.0000871600000000, -0.0009876900000000 ] - [ 0.0002861200000000, -0.0001822300000000, 0.0001024600000000 ] - [ 0.0000244300000000, -0.0003140200000000, -0.0000051000000000 ] - [ -0.0002636500000000, 0.0001380300000000, 0.0000120000000000 ] - [ -0.0001179900000000, 0.0002889600000000, 0.0001220300000000 ] - [ 0.0002560800000000, 0.0001687300000000, 0.0000097300000000 ] - [ -0.0003115200000000, -0.0001862200000000, 0.0000577100000000 ] - [ 0.0003101400000000, -0.0001421000000000, 0.0001183200000000 ] - [ 0.0001621800000000, -0.0006412300000000, -0.0016942500000000 ] - [ 0.0000903000000000, 0.0006545900000000, 0.0004881200000000 ] - [ -0.0000356100000000, 0.0003496800000000, 0.0001209800000000 ] - [ 0.0019788400000000, 0.0016950900000000, -0.0006525700000000 ] - [ -0.0002800400000000, -0.0001989700000000, 0.0001133300000000 ] - [ 0.0002783300000000, -0.0005940900000000, -0.0000439600000000 ] - [ 0.0386145700000000, -0.0764117400000000, 0.0033399500000000 ] - [ 0.0003463900000000, -0.0001503400000000, 0.0001440400000000 ] - [ -0.0071778900000000, 0.0005892700000000, -0.0010933400000000 ] - [ -0.0042035700000000, 0.0041626000000000, -0.0042887000000000 ] - [ -0.0001767700000000, 0.0011498800000000, 0.0002275400000000 ] - [ -0.0001067000000000, 0.0005372000000000, -0.0016886800000000 ] - [ 0.0002284400000000, 0.0002424400000000, 0.0005905900000000 ] - [ 0.0001293100000000, 0.0000509500000000, -0.0004942200000000 ] - [ -0.0002260500000000, -0.0000651200000000, 0.0001733000000000 ] - [ 0.0020040800000000, 0.0071450700000000, -0.0032806800000000 ] - [ 0.0000265400000000, 0.0001641500000000, 0.0002496600000000 ] - [ -0.0042784800000000, -0.0006166300000000, -0.0006580800000000 ] - [ 0.0025116700000000, 0.0019903800000000, 0.0013195400000000 ] - [ 0.0002711500000000, 0.0001102100000000, -0.0002016200000000 ] - [ 0.0002913300000000, -0.0001172300000000, 0.0001460000000000 ] - [ 0.0002046700000000, -0.0001531400000000, 0.0001835400000000 ] - [ -0.0002630300000000, -0.0002179700000000, 0.0001826500000000 ] - [ -0.0000405200000000, -0.0002672700000000, -0.0002668200000000 ] - [ -0.0003264800000000, 0.0001201600000000, -0.0003019800000000 ] - [ 0.0002679000000000, 0.0002205900000000, -0.0003006400000000 ] - [ 0.0000023100000000, -0.0000037000000000, 0.0001750300000000 ] - [ 0.0000559400000000, -0.0003407800000000, -0.0002973700000000 ] - [ -0.0002368400000000, -0.0001036500000000, 0.0001735400000000 ] - [ -0.0000286200000000, 0.0003224900000000, 0.0001274700000000 ] - [ 0.0000342500000000, 0.0002518000000000, 0.0001777800000000 ] - [ 0.0000066600000000, 0.0000038300000000, -0.0001940200000000 ] - [ -0.0002073900000000, 0.0001768800000000, -0.0002087100000000 ] - [ 0.0002377500000000, 0.0001032300000000, -0.0002124200000000 ] - [ 0.0003131000000000, -0.0000996400000000, 0.0001607400000000 ] - [ -0.0002170000000000, -0.0000354400000000, 0.0006963500000000 ] - [ -0.0002622600000000, -0.0001909700000000, 0.0001782500000000 ] - [ -0.0000297200000000, -0.0002546000000000, -0.0002157500000000 ] - [ -0.0001144900000000, -0.0000693200000000, -0.0000314600000000 ] - [ 0.0004857600000000, 0.0006947500000000, -0.0011584100000000 ] - [ -0.0002615000000000, 0.0000237400000000, 0.0001561700000000 ] - [ 0.0002595600000000, -0.0007093900000000, -0.0002517300000000 ] - [ 0.0002914300000000, -0.0017161600000000, 0.0001400600000000 ] - [ -0.0000499500000000, 0.0003270600000000, 0.0001454900000000 ] - [ -0.0003920200000000, 0.0003647300000000, 0.0010216600000000 ] - [ -0.0000048500000000, 0.0000037500000000, -0.0001994500000000 ] - [ -0.0002107700000000, 0.0001479400000000, -0.0002217200000000 ] - [ -0.0000828000000000, 0.0001121200000000, 0.0003839000000000 ] - [ 0.0000810500000000, -0.0005472100000000, -0.0019307000000000 ] - [ -0.0002875900000000, -0.0019246600000000, 0.0019986800000000 ] - [ 0.0003006100000000, -0.0002210900000000, -0.0001022900000000 ] - [ -0.0082325700000000, 0.0363928700000000, 0.0297658900000000 ] - [ 0.0000957700000000, -0.0006737900000000, -0.0003344500000000 ] - [ 0.0034235400000000, -0.0010200000000000, 0.0016831100000000 ] - [ 0.0015900600000000, -0.0001725100000000, 0.0011783700000000 ] - [ 0.0000841200000000, -0.0005464400000000, 0.0011452900000000 ] - [ -0.0003097700000000, -0.0012939000000000, -0.0004282000000000 ] - [ -0.0003366600000000, -0.0003429800000000, -0.0000171900000000 ] - [ 0.0065032300000000, 0.0207705800000000, -0.0172197000000000 ] - [ -0.0000969800000000, -0.0000642200000000, 0.0001342400000000 ] - [ -0.0003468400000000, 0.0001566400000000, 0.0001420000000000 ] - [ -0.0000298100000000, -0.0000515800000000, 0.0001363800000000 ] - [ 0.0000212700000000, 0.0000583900000000, -0.0001178300000000 ] - [ 0.0002835600000000, -0.0001295300000000, 0.0000340900000000 ] - [ -0.0000011300000000, -0.0000008100000000, -0.0000218700000000 ] - [ -0.0002465200000000, -0.0001953600000000, 0.0000371300000000 ] - [ 0.0002542100000000, 0.0002282400000000, 0.0000558200000000 ] - [ 0.0000066500000000, -0.0000002700000000, 0.0000950400000000 ] - [ -0.0000513800000000, 0.0003194300000000, 0.0000307000000000 ] - [ 0.0000707400000000, -0.0003364700000000, 0.0000538400000000 ] - [ -0.0000289700000000, 0.0000521700000000, 0.0001368600000000 ] - [ 0.0000529000000000, -0.0000436800000000, -0.0001082400000000 ] - [ -0.0000601300000000, -0.0000217400000000, -0.0001100500000000 ] - [ 0.0000597100000000, -0.0000015500000000, 0.0001383900000000 ] - [ -0.0003255700000000, 0.0001071200000000, 0.0000561500000000 ] - [ -0.0002415400000000, -0.0000237800000000, 0.0004565000000000 ] - [ 0.0000147700000000, 0.0000632900000000, -0.0001587900000000 ] - [ 0.0002980600000000, -0.0001200200000000, 0.0000128300000000 ] - [ -0.0002576600000000, -0.0000741500000000, 0.0002316200000000 ] - [ -0.0002514000000000, -0.0002109700000000, -0.0000003700000000 ] - [ 0.0002509300000000, 0.0002440500000000, 0.0000094500000000 ] - [ 0.0000008100000000, -0.0000050600000000, 0.0000057300000000 ] - [ -0.0000434100000000, 0.0003155800000000, 0.0000046800000000 ] - [ 0.0002856400000000, -0.0005658000000000, 0.0002362800000000 ] - [ 0.0000199000000000, 0.0001728100000000, 0.0003325100000000 ] - [ 0.0000419300000000, -0.0000365600000000, -0.0000952100000000 ] - [ -0.0000750900000000, -0.0000136300000000, -0.0001469200000000 ] - [ 0.0000875100000000, -0.0000168500000000, 0.0000660100000000 ] - [ -0.0002622100000000, 0.0002024400000000, 0.0001927600000000 ]- atom: 20 displacement: [ 0.0050000000079449, -0.0086602540332574, 0.0000000000000000 ] forces: - [ 0.0306185500000000, -0.0105464900000000, 0.0091365500000000 ] - [ -0.0000343900000000, -0.0004088600000000, -0.0003389100000000 ] - [ -0.0001125000000000, 0.0000698300000000, -0.0000529700000000 ] - [ -0.0000119400000000, -0.0003444500000000, 0.0004611700000000 ] - [ 0.0005359800000000, 0.0003646100000000, -0.0002314400000000 ] - [ 0.0006552800000000, -0.0002835500000000, 0.0010832100000000 ] - [ 0.0002867600000000, -0.0000880300000000, 0.0000243700000000 ] - [ 0.0000355600000000, -0.0003596400000000, -0.0000785200000000 ] - [ -0.0003165700000000, 0.0001491000000000, -0.0000674900000000 ] - [ 0.0000483600000000, 0.0004042700000000, 0.0000400100000000 ] - [ 0.0002863300000000, 0.0002060300000000, -0.0000708400000000 ] - [ -0.0002361600000000, -0.0001932800000000, 0.0000827200000000 ] - [ 0.0002894000000000, -0.0001294700000000, 0.0000407100000000 ] - [ -0.0001457000000000, 0.0000500600000000, 0.0015718400000000 ] - [ -0.0006815000000000, -0.0003653400000000, -0.0006173600000000 ] - [ -0.0000334200000000, 0.0003331300000000, 0.0000605600000000 ] - [ -0.0014172000000000, -0.0012959300000000, 0.0005020400000000 ] - [ -0.0002657200000000, -0.0001871000000000, 0.0000587800000000 ] - [ 0.0001620100000000, 0.0007825400000000, -0.0003314500000000 ] - [ -0.0369433500000000, 0.0754587500000000, -0.0037921000000000 ] - [ 0.0000661200000000, -0.0001474200000000, 0.0002353300000000 ] - [ 0.0067369200000000, -0.0010005800000000, 0.0015971800000000 ] - [ 0.0041424500000000, -0.0045480400000000, 0.0038620000000000 ] - [ -0.0004642300000000, -0.0009020600000000, -0.0006938000000000 ] - [ 0.0006503100000000, -0.0001269100000000, 0.0012156000000000 ] - [ -0.0002225600000000, -0.0002505100000000, -0.0002035600000000 ] - [ -0.0000362800000000, -0.0007224700000000, 0.0000404400000000 ] - [ -0.0002413600000000, -0.0001447000000000, 0.0001787300000000 ] - [ -0.0021511600000000, -0.0065115500000000, 0.0038140400000000 ] - [ 0.0000342900000000, 0.0003412700000000, 0.0001141200000000 ] - [ 0.0042342400000000, 0.0005824600000000, 0.0003119800000000 ] - [ -0.0029125500000000, -0.0017069700000000, -0.0016652000000000 ] - [ 0.0001925100000000, 0.0001052000000000, -0.0001776100000000 ] - [ 0.0003586900000000, -0.0001380900000000, 0.0003242300000000 ] - [ 0.0002018100000000, -0.0001400500000000, 0.0002128500000000 ] - [ -0.0002764900000000, -0.0002057600000000, 0.0002775000000000 ] - [ -0.0000234800000000, -0.0002207100000000, -0.0001180400000000 ] - [ -0.0003124900000000, 0.0001263800000000, -0.0001711000000000 ] - [ 0.0002632400000000, 0.0002047900000000, -0.0001694600000000 ] - [ 0.0000039700000000, -0.0000044500000000, 0.0001913500000000 ] - [ 0.0000447000000000, -0.0003274300000000, -0.0001689900000000 ] - [ -0.0002243100000000, -0.0001040100000000, 0.0002054100000000 ] - [ -0.0000634600000000, 0.0003433400000000, 0.0003252900000000 ] - [ 0.0000248100000000, 0.0002412100000000, 0.0002027300000000 ] - [ -0.0000225600000000, 0.0000103800000000, -0.0001789800000000 ] - [ -0.0002055500000000, 0.0001038100000000, -0.0001848900000000 ] - [ 0.0002294100000000, 0.0001107400000000, -0.0001834800000000 ] - [ 0.0003223000000000, -0.0001496700000000, 0.0003085400000000 ] - [ 0.0006302400000000, -0.0002595700000000, -0.0003104100000000 ] - [ -0.0002719100000000, -0.0002334300000000, 0.0002873700000000 ] - [ -0.0000272400000000, -0.0002510400000000, -0.0001864200000000 ] - [ -0.0005305600000000, 0.0003187400000000, -0.0004474900000000 ] - [ 0.0000507800000000, -0.0002820900000000, 0.0006773500000000 ] - [ 0.0002621200000000, 0.0000019200000000, 0.0002074400000000 ] - [ -0.0001323300000000, 0.0000099900000000, -0.0002350200000000 ] - [ -0.0007431100000000, 0.0015045500000000, 0.0002735700000000 ] - [ -0.0000491800000000, 0.0003386700000000, 0.0003149600000000 ] - [ 0.0004223800000000, 0.0001480900000000, -0.0006006300000000 ] - [ -0.0000017000000000, 0.0000059200000000, -0.0001717200000000 ] - [ -0.0002003800000000, 0.0001419100000000, -0.0001892400000000 ] - [ 0.0000457000000000, -0.0002222200000000, -0.0001051000000000 ] - [ -0.0000114500000000, 0.0006523800000000, 0.0017332800000000 ] - [ 0.0009061900000000, 0.0017135800000000, -0.0020590500000000 ] - [ -0.0002976400000000, 0.0002222800000000, -0.0000500700000000 ] - [ 0.0076484100000000, -0.0357598300000000, -0.0287013000000000 ] - [ 0.0004109500000000, 0.0011038700000000, 0.0003055800000000 ] - [ -0.0033836800000000, 0.0008920800000000, -0.0016914100000000 ] - [ -0.0017156800000000, 0.0008310300000000, -0.0012441400000000 ] - [ 0.0000327500000000, -0.0001058200000000, -0.0011763800000000 ] - [ 0.0002299600000000, 0.0013769000000000, 0.0006561400000000 ] - [ 0.0004229500000000, 0.0002522500000000, -0.0002078900000000 ] - [ -0.0068481300000000, -0.0209974400000000, 0.0173484600000000 ] - [ 0.0002089900000000, 0.0000878200000000, 0.0001122000000000 ] - [ -0.0002785700000000, 0.0000671500000000, -0.0001719100000000 ] - [ -0.0000124000000000, -0.0000649100000000, 0.0000851100000000 ] - [ 0.0000176900000000, 0.0000411100000000, -0.0001386900000000 ] - [ 0.0003449800000000, -0.0000911400000000, -0.0000141500000000 ] - [ 0.0000010000000000, -0.0000019300000000, -0.0000612600000000 ] - [ -0.0002496900000000, -0.0002378500000000, -0.0000145400000000 ] - [ 0.0002468400000000, 0.0001940300000000, -0.0000023900000000 ] - [ -0.0000036800000000, -0.0000035800000000, 0.0000527000000000 ] - [ -0.0000681100000000, 0.0003310800000000, -0.0000057600000000 ] - [ 0.0000467100000000, -0.0003118800000000, -0.0000028500000000 ] - [ -0.0000509800000000, 0.0000437300000000, 0.0000900800000000 ] - [ 0.0000200300000000, -0.0000420500000000, -0.0001495100000000 ] - [ -0.0000438100000000, 0.0000001800000000, -0.0001460400000000 ] - [ 0.0000623800000000, 0.0000234000000000, 0.0000850300000000 ] - [ -0.0002944800000000, 0.0001147400000000, -0.0000025600000000 ] - [ 0.0002001200000000, -0.0000735900000000, -0.0001381100000000 ] - [ 0.0000254800000000, 0.0000321300000000, -0.0001512200000000 ] - [ 0.0003304300000000, -0.0000954200000000, -0.0000357300000000 ] - [ 0.0002536800000000, 0.0000551800000000, -0.0002031300000000 ] - [ -0.0002444300000000, -0.0002235500000000, -0.0000218900000000 ] - [ 0.0002441800000000, 0.0001927900000000, 0.0000207500000000 ] - [ 0.0000010800000000, 0.0000027800000000, -0.0000327800000000 ] - [ -0.0000827300000000, 0.0003300500000000, -0.0000225900000000 ] - [ -0.0001647500000000, -0.0000901900000000, -0.0002056600000000 ] - [ -0.0000888600000000, -0.0000959200000000, -0.0000291900000000 ] - [ 0.0000294000000000, -0.0000476000000000, -0.0002168200000000 ] - [ -0.0000294400000000, -0.0000049200000000, -0.0001663400000000 ] - [ 0.0000247500000000, 0.0000304300000000, 0.0002513800000000 ] - [ -0.0003643700000000, 0.0000008700000000, -0.0001751600000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0234837700000000, 0.0000777600000000, 0.0205809900000000 ] - [ 0.0000916200000000, -0.0008363900000000, -0.0009057000000000 ] - [ -0.0004675400000000, 0.0001737700000000, -0.0003160900000000 ] - [ -0.0002046200000000, 0.0008452000000000, 0.0007528400000000 ] - [ 0.0003419200000000, 0.0002714900000000, -0.0004764500000000 ] - [ 0.0003543800000000, -0.0004398200000000, 0.0017630300000000 ] - [ 0.0001267200000000, -0.0001349300000000, -0.0004130800000000 ] - [ 0.0000866100000000, -0.0005561300000000, -0.0004883500000000 ] - [ -0.0005153900000000, 0.0002051400000000, -0.0004803300000000 ] - [ -0.0000200700000000, 0.0001356000000000, -0.0003654800000000 ] - [ 0.0004320900000000, 0.0003461500000000, -0.0004746100000000 ] - [ -0.0000543700000000, -0.0000153900000000, -0.0003791700000000 ] - [ 0.0000910400000000, -0.0000670400000000, -0.0003850600000000 ] - [ 0.0000160500000000, 0.0005810200000000, 0.0017031600000000 ] - [ -0.0016625600000000, 0.0006161300000000, 0.0004878900000000 ] - [ 0.0000177100000000, 0.0001237700000000, -0.0003580300000000 ] - [ -0.0009932900000000, -0.0009700600000000, 0.0017010300000000 ] - [ -0.0001080900000000, -0.0000319800000000, -0.0003718400000000 ] - [ -0.0005290400000000, -0.0006802300000000, -0.0007602200000000 ] - [ -0.0023435500000000, 0.0021105100000000, -0.1027378400000000 ] - [ 0.0001483400000000, -0.0001349900000000, 0.0004128100000000 ] - [ -0.0038192500000000, -0.0000681100000000, -0.0082608600000000 ] - [ 0.0006634500000000, -0.0016224200000000, -0.0018272500000000 ] - [ -0.0000226300000000, 0.0008396700000000, 0.0004990900000000 ] - [ 0.0000151500000000, 0.0003435300000000, 0.0008806200000000 ] - [ 0.0000824800000000, 0.0001361800000000, 0.0004500500000000 ] - [ 0.0013863200000000, 0.0005660200000000, 0.0008917800000000 ] - [ -0.0002421200000000, -0.0001210700000000, 0.0004043000000000 ] - [ 0.0021651100000000, 0.0006431400000000, -0.0082501200000000 ] - [ -0.0000487700000000, 0.0002503300000000, 0.0004571500000000 ] - [ -0.0036105600000000, 0.0007825800000000, -0.0001814200000000 ] - [ 0.0019122800000000, 0.0004398000000000, -0.0013239000000000 ] - [ 0.0002838000000000, 0.0001000400000000, -0.0000106300000000 ] - [ 0.0004864000000000, -0.0001378500000000, 0.0011322500000000 ] - [ 0.0001884500000000, -0.0000991400000000, 0.0004058000000000 ] - [ -0.0003652400000000, -0.0003129300000000, 0.0011261800000000 ] - [ -0.0000732200000000, -0.0002623600000000, -0.0000219800000000 ] - [ -0.0002104300000000, 0.0001225600000000, 0.0006488000000000 ] - [ 0.0002116800000000, 0.0001179500000000, 0.0006492200000000 ] - [ 0.0000015500000000, -0.0000028800000000, 0.0002961800000000 ] - [ -0.0000018600000000, -0.0002417400000000, 0.0006510400000000 ] - [ -0.0001819100000000, -0.0001174500000000, 0.0004016100000000 ] - [ -0.0001012300000000, 0.0004301000000000, 0.0011108300000000 ] - [ -0.0000055100000000, 0.0002150800000000, 0.0003978900000000 ] - [ -0.0000220400000000, 0.0000261700000000, -0.0000559900000000 ] - [ -0.0002048600000000, 0.0001218300000000, 0.0000434100000000 ] - [ 0.0002527300000000, 0.0001023900000000, 0.0000154500000000 ] - [ 0.0004470200000000, -0.0001643200000000, 0.0011334700000000 ] - [ 0.0006047600000000, -0.0001214300000000, 0.0003046200000000 ] - [ -0.0003802300000000, -0.0003268700000000, 0.0011233900000000 ] - [ -0.0000438100000000, -0.0002705200000000, 0.0000099200000000 ] - [ -0.0006380600000000, 0.0001912100000000, 0.0003422900000000 ] - [ 0.0002556300000000, -0.0005438100000000, 0.0003986200000000 ] - [ 0.0005631000000000, -0.0001070000000000, 0.0006877800000000 ] - [ 0.0006696800000000, 0.0003221200000000, 0.0003801300000000 ] - [ 0.0007556600000000, -0.0002355800000000, 0.0071399400000000 ] - [ -0.0001372600000000, 0.0004506800000000, 0.0011313100000000 ] - [ -0.0000298000000000, 0.0001384000000000, 0.0003005900000000 ] - [ -0.0000084100000000, 0.0000045400000000, -0.0000452100000000 ] - [ -0.0002027200000000, 0.0001659200000000, 0.0000101000000000 ] - [ 0.0002967700000000, -0.0007076100000000, -0.0002331200000000 ] - [ 0.0011762400000000, 0.0004265800000000, 0.0037164300000000 ] - [ -0.0009565800000000, -0.0011651800000000, 0.0030674500000000 ] - [ 0.0000204300000000, -0.0001596900000000, -0.0003192600000000 ] - [ -0.0050312800000000, 0.0294874500000000, 0.0303335100000000 ] - [ -0.0002142600000000, -0.0004197400000000, -0.0000483500000000 ] - [ 0.0015600800000000, 0.0001024100000000, 0.0042866700000000 ] - [ 0.0021134600000000, -0.0015165900000000, 0.0031616800000000 ] - [ -0.0000749400000000, -0.0001475800000000, -0.0001514900000000 ] - [ -0.0008284000000000, 0.0000854900000000, 0.0006490300000000 ] - [ 0.0007070100000000, 0.0003720200000000, 0.0021036300000000 ] - [ -0.0168948400000000, -0.0293488300000000, 0.0394388100000000 ] - [ 0.0000573500000000, 0.0001604700000000, 0.0000926800000000 ] - [ -0.0005445400000000, -0.0001486700000000, 0.0001956500000000 ] - [ 0.0000548900000000, -0.0001708200000000, -0.0001731200000000 ] - [ 0.0001053800000000, -0.0000724000000000, -0.0004028400000000 ] - [ 0.0005303600000000, -0.0000134600000000, -0.0003036800000000 ] - [ 0.0000012300000000, -0.0000042100000000, -0.0002908000000000 ] - [ -0.0002848200000000, -0.0004463700000000, -0.0003100300000000 ] - [ 0.0002241200000000, -0.0000090200000000, -0.0003083400000000 ] - [ -0.0000038700000000, 0.0000101600000000, -0.0001797200000000 ] - [ -0.0002273100000000, 0.0004690600000000, -0.0003127500000000 ] - [ -0.0001181900000000, -0.0001893600000000, -0.0003111000000000 ] - [ -0.0001735300000000, 0.0000379900000000, -0.0001684600000000 ] - [ -0.0001125200000000, -0.0000562600000000, -0.0003997000000000 ] - [ 0.0000004700000000, 0.0001142200000000, -0.0003982000000000 ] - [ 0.0001228100000000, 0.0001320100000000, -0.0001689900000000 ] - [ -0.0001036700000000, 0.0001943200000000, -0.0003110000000000 ] - [ -0.0000513500000000, 0.0002121100000000, -0.0000206500000000 ] - [ 0.0001359700000000, -0.0000802100000000, -0.0004160100000000 ] - [ 0.0005503700000000, -0.0000195500000000, -0.0003361500000000 ] - [ 0.0000998400000000, -0.0001983200000000, -0.0003467300000000 ] - [ -0.0002823900000000, -0.0004305100000000, -0.0003251100000000 ] - [ 0.0002823100000000, 0.0001110800000000, -0.0001753900000000 ] - [ 0.0000044600000000, 0.0000086000000000, -0.0002686700000000 ] - [ -0.0002344100000000, 0.0004624500000000, -0.0003176900000000 ] - [ -0.0001586600000000, -0.0001338300000000, -0.0003241400000000 ] - [ -0.0002618300000000, -0.0000315700000000, -0.0002168300000000 ] - [ -0.0001085400000000, -0.0000593800000000, -0.0004298400000000 ] - [ 0.0000203800000000, 0.0001128200000000, -0.0004331200000000 ] - [ 0.0001833600000000, 0.0000128200000000, -0.0000434100000000 ] - [ -0.0004684200000000, -0.0003572300000000, -0.0005368200000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0238678300000000, -0.0002893500000000, -0.0210698900000000 ] - [ -0.0000563200000000, 0.0002377600000000, 0.0007646800000000 ] - [ -0.0001200800000000, 0.0001038200000000, 0.0001606600000000 ] - [ 0.0001658500000000, -0.0001910900000000, -0.0007300100000000 ] - [ 0.0001365900000000, 0.0000622300000000, 0.0003447700000000 ] - [ -0.0008564700000000, 0.0001160900000000, -0.0017699100000000 ] - [ 0.0004998300000000, -0.0001398600000000, 0.0005879500000000 ] - [ -0.0000359500000000, -0.0001033100000000, 0.0004421300000000 ] - [ -0.0000874900000000, 0.0000690100000000, 0.0004345200000000 ] - [ -0.0000323500000000, 0.0004765400000000, 0.0004821700000000 ] - [ 0.0001096400000000, 0.0000251900000000, 0.0004408700000000 ] - [ -0.0004715500000000, -0.0003411500000000, 0.0005079300000000 ] - [ 0.0005259300000000, -0.0002047600000000, 0.0005607000000000 ] - [ 0.0000761800000000, -0.0012393000000000, -0.0018706300000000 ] - [ 0.0011277100000000, -0.0003404200000000, -0.0006237700000000 ] - [ -0.0000811800000000, 0.0005199000000000, 0.0005297200000000 ] - [ 0.0015299300000000, 0.0013298100000000, -0.0018346700000000 ] - [ -0.0004364500000000, -0.0003565200000000, 0.0005439300000000 ] - [ 0.0008526300000000, 0.0009340800000000, 0.0004374600000000 ] - [ 0.0046437300000000, -0.0021782100000000, 0.1020415100000000 ] - [ 0.0001922000000000, -0.0000227200000000, -0.0000933100000000 ] - [ 0.0031934300000000, -0.0004874000000000, 0.0088775100000000 ] - [ -0.0006280500000000, 0.0012620600000000, 0.0015419900000000 ] - [ -0.0007395000000000, -0.0005851300000000, -0.0010680700000000 ] - [ 0.0006209300000000, 0.0001926400000000, -0.0014670400000000 ] - [ -0.0001050700000000, -0.0001369200000000, -0.0002827500000000 ] - [ -0.0012100200000000, -0.0013718500000000, -0.0014588500000000 ] - [ -0.0000669900000000, -0.0001185000000000, -0.0000575600000000 ] - [ -0.0023308100000000, 0.0001541100000000, 0.0088533900000000 ] - [ -0.0000041100000000, 0.0001620600000000, -0.0001333100000000 ] - [ 0.0036216100000000, -0.0007739700000000, 0.0000846300000000 ] - [ -0.0022865600000000, -0.0003023400000000, 0.0010023700000000 ] - [ 0.0000424300000000, 0.0001333800000000, -0.0003376200000000 ] - [ 0.0002088000000000, -0.0001211900000000, -0.0005586400000000 ] - [ 0.0001593900000000, -0.0000525700000000, -0.0000754700000000 ] - [ -0.0002258200000000, -0.0001910400000000, -0.0005421100000000 ] - [ 0.0001213300000000, -0.0001468000000000, -0.0002928900000000 ] - [ -0.0005297600000000, 0.0001342600000000, -0.0012467700000000 ] - [ 0.0003898200000000, 0.0004087300000000, -0.0012540600000000 ] - [ -0.0000058700000000, 0.0000017500000000, -0.0001406000000000 ] - [ 0.0001549000000000, -0.0005436000000000, -0.0012527500000000 ] - [ -0.0001226500000000, -0.0001196600000000, -0.0000623700000000 ] - [ -0.0000588500000000, 0.0003573900000000, -0.0005136400000000 ] - [ -0.0000361500000000, 0.0001845100000000, -0.0000585300000000 ] - [ 0.0000372000000000, -0.0000266800000000, -0.0001514100000000 ] - [ -0.0001494300000000, 0.0000539400000000, -0.0003639500000000 ] - [ 0.0000685900000000, 0.0001300600000000, -0.0003670800000000 ] - [ 0.0002883400000000, -0.0000960300000000, -0.0005457200000000 ] - [ -0.0002352200000000, -0.0000500700000000, 0.0000589500000000 ] - [ -0.0002107000000000, -0.0001784800000000, -0.0005352500000000 ] - [ 0.0000962100000000, -0.0001295100000000, -0.0003566800000000 ] - [ -0.0001091600000000, 0.0000683600000000, -0.0009368800000000 ] - [ 0.0003314200000000, 0.0010647200000000, -0.0009968500000000 ] - [ -0.0005585300000000, 0.0000966000000000, -0.0005020100000000 ] - [ -0.0005502700000000, -0.0010688700000000, -0.0009763000000000 ] - [ -0.0010964800000000, -0.0000112100000000, -0.0069379000000000 ] - [ -0.0000198300000000, 0.0003339300000000, -0.0005321300000000 ] - [ -0.0000029000000000, 0.0002624200000000, 0.0000414800000000 ] - [ 0.0000060500000000, -0.0000094200000000, -0.0001210500000000 ] - [ -0.0001609100000000, -0.0000035100000000, -0.0003558500000000 ] - [ -0.0003394900000000, 0.0006136500000000, 0.0004997100000000 ] - [ -0.0010815600000000, -0.0003551100000000, -0.0039195100000000 ] - [ 0.0015606400000000, 0.0009491900000000, -0.0030864900000000 ] - [ -0.0000158100000000, 0.0001559900000000, 0.0002141200000000 ] - [ 0.0044153300000000, -0.0288307800000000, -0.0296553400000000 ] - [ 0.0007080600000000, 0.0008539900000000, -0.0000114000000000 ] - [ -0.0015263000000000, -0.0001602700000000, -0.0042889900000000 ] - [ -0.0022248600000000, 0.0021526400000000, -0.0031778700000000 ] - [ 0.0001893200000000, -0.0004892300000000, 0.0000807300000000 ] - [ 0.0007587800000000, -0.0000032200000000, -0.0004302600000000 ] - [ -0.0006412800000000, -0.0004684200000000, -0.0023148300000000 ] - [ 0.0161901900000000, 0.0280931000000000, -0.0385496300000000 ] - [ 0.0000426200000000, -0.0001596700000000, 0.0001477300000000 ] - [ -0.0000733900000000, 0.0003622400000000, -0.0002597700000000 ] - [ -0.0001104300000000, 0.0000772100000000, 0.0003849800000000 ] - [ -0.0000518600000000, 0.0001518000000000, 0.0001617300000000 ] - [ 0.0000970000000000, -0.0001963900000000, 0.0003627700000000 ] - [ 0.0000003600000000, -0.0000006600000000, 0.0002480600000000 ] - [ -0.0002042900000000, 0.0000097500000000, 0.0003679500000000 ] - [ 0.0002686700000000, 0.0004413700000000, 0.0003279500000000 ] - [ 0.0000028700000000, -0.0000048900000000, 0.0002837700000000 ] - [ 0.0001037100000000, 0.0001737000000000, 0.0003797500000000 ] - [ 0.0002453900000000, -0.0004553700000000, 0.0003275600000000 ] - [ 0.0001222000000000, 0.0000578200000000, 0.0003823600000000 ] - [ 0.0001610300000000, -0.0000347600000000, 0.0001582500000000 ] - [ -0.0000946200000000, -0.0001095200000000, 0.0001488900000000 ] - [ -0.0000131900000000, -0.0001361900000000, 0.0003848800000000 ] - [ -0.0005151300000000, 0.0000197200000000, 0.0003286700000000 ] - [ 0.0000054000000000, -0.0003023700000000, 0.0003138300000000 ] - [ -0.0000802300000000, 0.0001606300000000, 0.0001241500000000 ] - [ 0.0000781200000000, -0.0001891100000000, 0.0003550400000000 ] - [ -0.0000987900000000, 0.0001853500000000, 0.0004154500000000 ] - [ -0.0002047900000000, -0.0000015400000000, 0.0003478400000000 ] - [ 0.0002047200000000, 0.0003224500000000, 0.0001599300000000 ] - [ -0.0000032900000000, -0.0000083500000000, 0.0002056800000000 ] - [ 0.0001039400000000, 0.0001778900000000, 0.0003415600000000 ] - [ 0.0002864600000000, -0.0005130000000000, 0.0003085500000000 ] - [ 0.0002280400000000, 0.0001147600000000, 0.0005172500000000 ] - [ 0.0001555300000000, -0.0000273500000000, 0.0001375300000000 ] - [ -0.0001177500000000, -0.0001124000000000, 0.0001398200000000 ] - [ -0.0000856200000000, -0.0000204800000000, 0.0003445800000000 ] - [ -0.0001570500000000, 0.0005619100000000, 0.0005279700000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0003064800000000, -0.0001515800000000, 0.0000867100000000 ] - [ 0.0085331400000000, -0.0091784800000000, 0.0132962000000000 ] - [ 0.0296309400000000, -0.0040029300000000, -0.0376736100000000 ] - [ -0.0000728700000000, 0.0004461100000000, 0.0001048600000000 ] - [ 0.0157292100000000, 0.0126155900000000, 0.0245054800000000 ] - [ -0.0002986700000000, -0.0002234100000000, 0.0000311000000000 ] - [ -0.0011090800000000, 0.0003291000000000, -0.0002107500000000 ] - [ 0.0000407300000000, -0.0003785200000000, -0.0000885700000000 ] - [ -0.0003758700000000, 0.0001605500000000, -0.0000880200000000 ] - [ 0.0005817700000000, 0.0013654200000000, 0.0001832100000000 ] - [ 0.0003057700000000, 0.0002344300000000, -0.0000806700000000 ] - [ -0.0003169600000000, -0.0013465300000000, 0.0004565400000000 ] - [ 0.0003902000000000, -0.0001514500000000, 0.0001565900000000 ] - [ 0.0000574800000000, -0.0004302400000000, -0.0001711800000000 ] - [ -0.0003365300000000, 0.0001350000000000, -0.0001215200000000 ] - [ -0.0000501500000000, 0.0003851600000000, 0.0001315600000000 ] - [ 0.0002994100000000, 0.0002179200000000, -0.0001403900000000 ] - [ -0.0003175400000000, -0.0002323500000000, 0.0001408700000000 ] - [ 0.0000889500000000, 0.0001084100000000, -0.0001602800000000 ] - [ 0.0004670900000000, 0.0001698000000000, 0.0003835700000000 ] - [ -0.0004543300000000, -0.0014052100000000, -0.0012026600000000 ] - [ -0.0002220400000000, -0.0002974000000000, 0.0003947200000000 ] - [ 0.0000461200000000, -0.0001694000000000, -0.0001311400000000 ] - [ 0.0055054900000000, -0.0013356000000000, -0.0038603000000000 ] - [ 0.0019332500000000, 0.0039703400000000, 0.0022222700000000 ] - [ -0.0642732200000000, -0.0001655800000000, -0.0006214000000000 ] - [ -0.0005686600000000, -0.0031075900000000, 0.0008201300000000 ] - [ 0.0029630800000000, -0.0006827400000000, 0.0038532900000000 ] - [ 0.0002363600000000, 0.0005864200000000, 0.0001334100000000 ] - [ 0.0004524200000000, 0.0023687300000000, -0.0021706400000000 ] - [ 0.0000256700000000, 0.0000132000000000, -0.0000116800000000 ] - [ -0.0001904800000000, 0.0000442300000000, -0.0001835300000000 ] - [ 0.0008433400000000, -0.0000044500000000, -0.0022338200000000 ] - [ 0.0006284800000000, -0.0002579000000000, 0.0008634700000000 ] - [ 0.0001597100000000, -0.0000528400000000, 0.0001460400000000 ] - [ -0.0001557700000000, -0.0001679500000000, -0.0000887100000000 ] - [ 0.0001435100000000, 0.0004064000000000, 0.0012071300000000 ] - [ -0.0003709500000000, 0.0001389800000000, -0.0003151500000000 ] - [ 0.0003005700000000, 0.0002864200000000, -0.0003000000000000 ] - [ -0.0000105400000000, 0.0000062700000000, 0.0000317600000000 ] - [ 0.0000971700000000, -0.0004097600000000, -0.0003198100000000 ] - [ -0.0001163300000000, -0.0001226100000000, 0.0001590100000000 ] - [ -0.0000982600000000, 0.0002962600000000, 0.0001596700000000 ] - [ -0.0000519900000000, 0.0001772100000000, 0.0001519900000000 ] - [ -0.0000373800000000, -0.0000192700000000, -0.0000330400000000 ] - [ -0.0003645100000000, -0.0002804500000000, 0.0005870300000000 ] - [ 0.0001278800000000, 0.0001236200000000, -0.0001659900000000 ] - [ 0.0003701800000000, -0.0001262000000000, 0.0003121500000000 ] - [ 0.0001643400000000, -0.0000431100000000, 0.0001687500000000 ] - [ -0.0002998500000000, -0.0002671700000000, 0.0003125000000000 ] - [ 0.0000475100000000, -0.0001773600000000, -0.0001516800000000 ] - [ -0.0003925500000000, 0.0001267900000000, -0.0003233000000000 ] - [ 0.0003125700000000, 0.0002818100000000, -0.0003177200000000 ] - [ 0.0000033100000000, -0.0000293900000000, 0.0000574800000000 ] - [ 0.0000588000000000, -0.0003514100000000, -0.0002964100000000 ] - [ -0.0001389600000000, -0.0001484900000000, 0.0001485400000000 ] - [ -0.0000906500000000, 0.0004060300000000, 0.0003176600000000 ] - [ -0.0000135000000000, 0.0001774200000000, 0.0001447000000000 ] - [ 0.0000053600000000, -0.0000020900000000, -0.0000343800000000 ] - [ -0.0001655300000000, 0.0000465300000000, -0.0001465700000000 ] - [ 0.0008883300000000, -0.0002126700000000, -0.0007135300000000 ] - [ 0.0000102000000000, 0.0000203500000000, -0.0001865800000000 ] - [ 0.0000541700000000, -0.0002128800000000, 0.0002594000000000 ] - [ -0.0003411700000000, 0.0003032300000000, -0.0000564200000000 ] - [ -0.0002686100000000, -0.0004221500000000, -0.0001219700000000 ] - [ -0.0001409000000000, 0.0006722900000000, 0.0004752400000000 ] - [ 0.0000016600000000, -0.0000880500000000, 0.0000260500000000 ] - [ -0.0001046000000000, 0.0003715700000000, -0.0002046300000000 ] - [ -0.0001407000000000, -0.0011838700000000, -0.0002012800000000 ] - [ 0.0000640700000000, 0.0010042400000000, 0.0003404200000000 ] - [ -0.0000050000000000, -0.0000262800000000, -0.0000486200000000 ] - [ -0.0001097400000000, -0.0000063300000000, -0.0001346300000000 ] - [ -0.0004604600000000, -0.0003040900000000, 0.0007689100000000 ] - [ 0.0005633000000000, 0.0000659300000000, -0.0003377900000000 ] - [ -0.0000227200000000, -0.0000340500000000, 0.0000968900000000 ] - [ -0.0000321600000000, 0.0001333900000000, -0.0000671600000000 ] - [ 0.0002900400000000, -0.0001442900000000, -0.0000057900000000 ] - [ -0.0000021200000000, -0.0000054400000000, -0.0000223500000000 ] - [ -0.0002386600000000, -0.0003256100000000, -0.0000812300000000 ] - [ 0.0002498900000000, 0.0002104500000000, 0.0000268800000000 ] - [ -0.0000995800000000, 0.0000395100000000, 0.0000515500000000 ] - [ -0.0000116700000000, 0.0002822100000000, 0.0001204400000000 ] - [ 0.0000621100000000, -0.0003262500000000, 0.0000209200000000 ] - [ -0.0000245300000000, 0.0000501200000000, 0.0001457100000000 ] - [ 0.0000728400000000, -0.0000300300000000, -0.0000358700000000 ] - [ 0.0000405800000000, 0.0001657500000000, -0.0003272300000000 ] - [ 0.0000503600000000, -0.0000097500000000, 0.0001382400000000 ] - [ -0.0003114100000000, 0.0001073500000000, 0.0000308300000000 ] - [ -0.0000249300000000, -0.0000317000000000, 0.0001662400000000 ] - [ 0.0000283400000000, 0.0000299200000000, -0.0001688600000000 ] - [ 0.0003176400000000, -0.0001051900000000, -0.0000110800000000 ] - [ -0.0000009100000000, -0.0000044400000000, 0.0000341800000000 ] - [ -0.0002482400000000, -0.0002203800000000, -0.0000106600000000 ] - [ 0.0002475900000000, 0.0002226700000000, 0.0000111300000000 ] - [ 0.0000008100000000, 0.0000043200000000, -0.0000294000000000 ] - [ -0.0000659500000000, 0.0003257100000000, -0.0000098400000000 ] - [ 0.0000665600000000, -0.0003231600000000, 0.0000085000000000 ] - [ -0.0000138500000000, 0.0000404900000000, 0.0001739600000000 ] - [ 0.0000154100000000, -0.0000389600000000, -0.0001670400000000 ] - [ -0.0000407000000000, 0.0000099800000000, -0.0001706600000000 ] - [ 0.0000384600000000, -0.0000136700000000, 0.0001740600000000 ] - [ -0.0003168400000000, 0.0001050400000000, 0.0000176000000000 ]- atom: 26 displacement: [ -0.0100000000000000, -0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0002787000000000, -0.0001516500000000, -0.0000190800000000 ] - [ -0.0085466600000000, 0.0085688600000000, -0.0134769600000000 ] - [ -0.0308040200000000, 0.0043989100000000, 0.0383246500000000 ] - [ -0.0000042800000000, 0.0002420700000000, -0.0000083100000000 ] - [ -0.0151685300000000, -0.0121250900000000, -0.0244207000000000 ] - [ -0.0002350400000000, -0.0001499100000000, 0.0000145300000000 ] - [ 0.0017594000000000, -0.0006278600000000, 0.0003811700000000 ] - [ 0.0000154100000000, -0.0002835200000000, 0.0000055800000000 ] - [ -0.0002449600000000, 0.0001353800000000, 0.0000063100000000 ] - [ -0.0006311600000000, -0.0007182700000000, 0.0000229000000000 ] - [ 0.0002387800000000, 0.0001438400000000, 0.0000098300000000 ] - [ -0.0002168000000000, 0.0009654100000000, -0.0002725100000000 ] - [ 0.0002456900000000, -0.0001297200000000, 0.0000413100000000 ] - [ 0.0000043200000000, -0.0002602700000000, -0.0000264300000000 ] - [ -0.0002551000000000, 0.0001282500000000, -0.0000446800000000 ] - [ -0.0000148500000000, 0.0002870100000000, 0.0000487500000000 ] - [ 0.0002428600000000, 0.0001522700000000, -0.0000523200000000 ] - [ -0.0002365700000000, -0.0001502600000000, 0.0000444400000000 ] - [ 0.0002725900000000, 0.0001201700000000, -0.0001896400000000 ] - [ 0.0002626100000000, -0.0004190000000000, 0.0001543200000000 ] - [ 0.0008103800000000, 0.0012153700000000, 0.0015246700000000 ] - [ -0.0003627800000000, -0.0002170800000000, 0.0001427200000000 ] - [ -0.0000317400000000, -0.0002494600000000, -0.0002114500000000 ] - [ -0.0063444700000000, 0.0016209100000000, 0.0034453600000000 ] - [ -0.0013340000000000, -0.0034083100000000, -0.0027109400000000 ] - [ 0.0648883600000000, -0.0001705600000000, -0.0004481700000000 ] - [ 0.0006860100000000, 0.0023478900000000, -0.0013368900000000 ] - [ -0.0032805500000000, 0.0004453800000000, -0.0034405700000000 ] - [ -0.0003807300000000, 0.0001596800000000, 0.0003969400000000 ] - [ -0.0004756700000000, -0.0019410600000000, 0.0025197300000000 ] - [ -0.0000278400000000, -0.0000072800000000, -0.0001943100000000 ] - [ -0.0001872200000000, 0.0001610000000000, -0.0001856900000000 ] - [ -0.0005028100000000, 0.0002258700000000, 0.0018660400000000 ] - [ 0.0000388000000000, 0.0000061200000000, -0.0003374900000000 ] - [ 0.0002108000000000, -0.0001612400000000, 0.0002027000000000 ] - [ -0.0004189400000000, -0.0003235400000000, 0.0006293300000000 ] - [ -0.0001049300000000, -0.0008539700000000, -0.0015433600000000 ] - [ -0.0003247800000000, 0.0001103800000000, -0.0002199900000000 ] - [ 0.0002755000000000, 0.0002075500000000, -0.0002420100000000 ] - [ 0.0000015000000000, -0.0000039500000000, 0.0001958900000000 ] - [ 0.0000442700000000, -0.0003428800000000, -0.0002221800000000 ] - [ -0.0002467600000000, -0.0000994200000000, 0.0001980900000000 ] - [ -0.0000545900000000, 0.0004778700000000, 0.0003957500000000 ] - [ 0.0000373800000000, 0.0002601300000000, 0.0001955300000000 ] - [ 0.0000662600000000, 0.0000059100000000, -0.0001953600000000 ] - [ 0.0000005700000000, 0.0005170800000000, -0.0009318100000000 ] - [ 0.0002482800000000, 0.0001041700000000, -0.0002030500000000 ] - [ 0.0003220900000000, -0.0001258800000000, 0.0002299000000000 ] - [ 0.0002112800000000, -0.0001605600000000, 0.0001985700000000 ] - [ -0.0002723000000000, -0.0002157200000000, 0.0002292900000000 ] - [ -0.0000367300000000, -0.0002666300000000, -0.0002041800000000 ] - [ -0.0003205500000000, 0.0001262700000000, -0.0002250700000000 ] - [ 0.0002692500000000, 0.0002090400000000, -0.0002322600000000 ] - [ 0.0000000800000000, 0.0000094200000000, 0.0001941900000000 ] - [ 0.0000595400000000, -0.0003570800000000, -0.0002414200000000 ] - [ -0.0002453200000000, -0.0000912700000000, 0.0002093400000000 ] - [ -0.0000498900000000, 0.0003385200000000, 0.0002276500000000 ] - [ 0.0000243400000000, 0.0002727400000000, 0.0002149000000000 ] - [ -0.0000003700000000, 0.0000030900000000, -0.0001964300000000 ] - [ -0.0002110100000000, 0.0001622400000000, -0.0002076800000000 ] - [ -0.0008946300000000, 0.0001294800000000, 0.0009542400000000 ] - [ 0.0000406900000000, 0.0000781100000000, -0.0000437700000000 ] - [ 0.0005634500000000, -0.0000090200000000, -0.0003043200000000 ] - [ 0.0003487200000000, -0.0003120500000000, -0.0000761600000000 ] - [ -0.0002293500000000, -0.0000007900000000, 0.0000793100000000 ] - [ 0.0006353700000000, -0.0002559600000000, -0.0005179100000000 ] - [ 0.0000011100000000, 0.0000925100000000, 0.0000444000000000 ] - [ -0.0000119100000000, 0.0002743500000000, 0.0001629000000000 ] - [ 0.0002546900000000, 0.0005477600000000, 0.0001580400000000 ] - [ -0.0001181200000000, -0.0009312600000000, -0.0000876600000000 ] - [ 0.0000703300000000, -0.0000670800000000, -0.0001830600000000 ] - [ -0.0000010300000000, 0.0000037100000000, -0.0000989300000000 ] - [ 0.0005576800000000, 0.0003158900000000, -0.0005133100000000 ] - [ -0.0011503100000000, 0.0001420700000000, 0.0002898400000000 ] - [ -0.0000285200000000, -0.0000613700000000, 0.0001381200000000 ] - [ 0.0000791100000000, -0.0000535200000000, -0.0001978100000000 ] - [ 0.0003357800000000, -0.0000705800000000, 0.0000304800000000 ] - [ 0.0000016600000000, 0.0000007900000000, -0.0000407900000000 ] - [ -0.0002595700000000, -0.0001061000000000, 0.0001054600000000 ] - [ 0.0002496300000000, 0.0002136400000000, 0.0000235500000000 ] - [ 0.0000978000000000, -0.0000362200000000, 0.0000728500000000 ] - [ -0.0001097100000000, 0.0003640700000000, -0.0000900200000000 ] - [ 0.0000535600000000, -0.0003187700000000, 0.0000253300000000 ] - [ -0.0000346500000000, 0.0000435400000000, 0.0000914400000000 ] - [ -0.0000256300000000, -0.0000510000000000, -0.0002324600000000 ] - [ -0.0001324300000000, -0.0001656300000000, 0.0000531700000000 ] - [ 0.0000597300000000, 0.0000126500000000, 0.0001003000000000 ] - [ -0.0003042600000000, 0.0001141400000000, 0.0000169400000000 ] - [ -0.0000206500000000, -0.0000475800000000, 0.0001550800000000 ] - [ 0.0000204300000000, 0.0000478100000000, -0.0001525700000000 ] - [ 0.0003110100000000, -0.0001088000000000, -0.0000072700000000 ] - [ -0.0000002500000000, -0.0000031800000000, 0.0000141900000000 ] - [ -0.0002477300000000, -0.0002139400000000, -0.0000063400000000 ] - [ 0.0002486200000000, 0.0002127300000000, 0.0000084600000000 ] - [ 0.0000007500000000, -0.0000006400000000, -0.0000131100000000 ] - [ -0.0000603000000000, 0.0003214000000000, -0.0000051800000000 ] - [ 0.0000611200000000, -0.0003242600000000, 0.0000093800000000 ] - [ -0.0000316300000000, 0.0000421400000000, 0.0001534100000000 ] - [ 0.0000333200000000, -0.0000429200000000, -0.0001525800000000 ] - [ -0.0000521500000000, -0.0000082200000000, -0.0001519200000000 ] - [ 0.0000547800000000, 0.0000078000000000, 0.0001527900000000 ] - [ -0.0003095900000000, 0.0001069400000000, 0.0000060200000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001869000000000, -0.0001505000000000, -0.0001080100000000 ] - [ 0.0131795900000000, -0.0351482900000000, 0.0487153100000000 ] - [ -0.0370291100000000, 0.0061602900000000, 0.0487153100000000 ] - [ 0.0000368900000000, 0.0002371100000000, -0.0001080100000000 ] - [ 0.0238495200000000, 0.0289880100000000, 0.0487153100000000 ] - [ -0.0002237900000000, -0.0000866100000000, -0.0001080100000000 ] - [ 0.0002725100000000, -0.0001111000000000, 0.0032531200000000 ] - [ 0.0000137500000000, -0.0002991500000000, -0.0000456000000000 ] - [ -0.0002659500000000, 0.0001376600000000, -0.0000456000000000 ] - [ -0.0000400400000000, 0.0002915500000000, 0.0032531200000000 ] - [ 0.0002521900000000, 0.0001614800000000, -0.0000456000000000 ] - [ -0.0002324700000000, -0.0001804500000000, 0.0032531200000000 ] - [ 0.0001979700000000, -0.0001187600000000, -0.0000347700000000 ] - [ 0.0000294000000000, -0.0003128300000000, -0.0001063000000000 ] - [ -0.0002856200000000, 0.0001309500000000, -0.0001063000000000 ] - [ 0.0000038600000000, 0.0002308300000000, -0.0000347700000000 ] - [ 0.0002562200000000, 0.0001818800000000, -0.0001063000000000 ] - [ -0.0002018400000000, -0.0001120700000000, -0.0000347700000000 ] - [ 0.0001853400000000, 0.0001411300000000, -0.0001399400000000 ] - [ 0.0003355500000000, 0.0003231200000000, 0.0005283200000000 ] - [ -0.0011921200000000, 0.0034702600000000, 0.0012422300000000 ] - [ 0.0001120500000000, -0.0004521500000000, 0.0005283200000000 ] - [ 0.0000295500000000, -0.0002310700000000, -0.0001399400000000 ] - [ 0.0004904400000000, 0.0000463300000000, -0.0003456500000000 ] - [ -0.0002051000000000, -0.0004479000000000, -0.0003456500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1654186100000000 ] - [ -0.0002853400000000, 0.0004015700000000, -0.0003456500000000 ] - [ 0.0036013900000000, -0.0007027300000000, 0.0012422300000000 ] - [ -0.0004476000000000, 0.0001290300000000, 0.0005283200000000 ] - [ -0.0024092800000000, -0.0027675400000000, 0.0012422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538300000000 ] - [ -0.0002148900000000, 0.0000899400000000, -0.0001399400000000 ] - [ -0.0011634800000000, 0.0002048500000000, 0.0019998500000000 ] - [ 0.0004096500000000, -0.0001001400000000, 0.0008024000000000 ] - [ 0.0001894000000000, -0.0001018500000000, 0.0002032400000000 ] - [ -0.0002915500000000, -0.0003046900000000, 0.0008024000000000 ] - [ 0.0007591500000000, 0.0009051800000000, 0.0019998500000000 ] - [ -0.0003210100000000, 0.0001277500000000, -0.0001524700000000 ] - [ 0.0002711400000000, 0.0002141300000000, -0.0001524700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001227400000000 ] - [ 0.0000498700000000, -0.0003418800000000, -0.0001524700000000 ] - [ -0.0001829000000000, -0.0001131000000000, 0.0002032400000000 ] - [ -0.0001181000000000, 0.0004048400000000, 0.0008024000000000 ] - [ -0.0000065000000000, 0.0002149500000000, 0.0002032400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002614000000000 ] - [ 0.0004043300000000, -0.0011100300000000, 0.0019998500000000 ] - [ 0.0001905200000000, 0.0001133400000000, -0.0001538100000000 ] - [ 0.0003675900000000, -0.0001266200000000, 0.0004030800000000 ] - [ 0.0001896000000000, -0.0000953500000000, 0.0002097600000000 ] - [ -0.0002934500000000, -0.0002550300000000, 0.0004030800000000 ] - [ 0.0000029000000000, -0.0002216700000000, -0.0001538100000000 ] - [ -0.0003321900000000, 0.0001260800000000, -0.0001467200000000 ] - [ 0.0002752800000000, 0.0002246500000000, -0.0001467200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001111600000000 ] - [ 0.0000569100000000, -0.0003507200000000, -0.0001467200000000 ] - [ -0.0001773700000000, -0.0001165200000000, 0.0002097600000000 ] - [ -0.0000741400000000, 0.0003816500000000, 0.0004030800000000 ] - [ -0.0000122200000000, 0.0002118700000000, 0.0002097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000766800000000 ] - [ -0.0001934200000000, 0.0001083300000000, -0.0001538100000000 ] - [ -0.0007375200000000, -0.0005484500000000, 0.0001828400000000 ] - [ -0.0000078600000000, 0.0001365800000000, -0.0001374200000000 ] - [ 0.0006080700000000, 0.0001398200000000, -0.0003616100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000114800000000 ] - [ -0.0001829500000000, -0.0005965100000000, -0.0003616100000000 ] - [ 0.0009473600000000, 0.0003314300000000, -0.0000382400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000401300000000 ] - [ -0.0004251200000000, 0.0004566900000000, -0.0003616100000000 ] - [ -0.0001866500000000, -0.0009861500000000, -0.0000382400000000 ] - [ -0.0001062100000000, 0.0009129300000000, 0.0001828400000000 ] - [ 0.0001222100000000, -0.0000614800000000, -0.0001374200000000 ] - [ -0.0001143500000000, -0.0000751000000000, -0.0001374200000000 ] - [ 0.0008437300000000, -0.0003644800000000, 0.0001828400000000 ] - [ -0.0007607000000000, 0.0006547200000000, -0.0000382400000000 ] - [ -0.0000203700000000, -0.0000638900000000, 0.0000723700000000 ] - [ 0.0001088700000000, -0.0000213800000000, -0.0002234300000000 ] - [ 0.0004351100000000, -0.0000110300000000, -0.0000615600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000599800000000 ] - [ -0.0002271100000000, -0.0003713000000000, -0.0000615600000000 ] - [ 0.0002459900000000, 0.0001742600000000, -0.0000330600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001711300000000 ] - [ -0.0002080000000000, 0.0003823300000000, -0.0000615600000000 ] - [ 0.0000279200000000, -0.0003001700000000, -0.0000330600000000 ] - [ -0.0000451400000000, 0.0000495900000000, 0.0000723700000000 ] - [ -0.0000729500000000, -0.0000836000000000, -0.0002234300000000 ] - [ -0.0000359200000000, 0.0001049700000000, -0.0002234300000000 ] - [ 0.0000655100000000, 0.0000143000000000, 0.0000723700000000 ] - [ -0.0002739100000000, 0.0001259100000000, -0.0000330600000000 ] - [ -0.0000107100000000, -0.0000594700000000, 0.0001090300000000 ] - [ 0.0000366300000000, 0.0000246000000000, -0.0001935500000000 ] - [ 0.0003355500000000, -0.0000959900000000, -0.0000467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000003100000000 ] - [ -0.0002509100000000, -0.0002426000000000, -0.0000467600000000 ] - [ 0.0002425300000000, 0.0001755200000000, -0.0000496000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000701400000000 ] - [ -0.0000846400000000, 0.0003385900000000, -0.0000467600000000 ] - [ 0.0000307400000000, -0.0002978000000000, -0.0000496000000000 ] - [ -0.0000461500000000, 0.0000390000000000, 0.0001090300000000 ] - [ 0.0000029900000000, -0.0000440300000000, -0.0001935500000000 ] - [ -0.0000396200000000, 0.0000194200000000, -0.0001935500000000 ] - [ 0.0000568500000000, 0.0000204600000000, 0.0001090300000000 ] - [ -0.0002732700000000, 0.0001222800000000, -0.0000496000000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003118800000000, -0.0001162400000000, 0.0000794300000000 ] - [ -0.0127419200000000, 0.0335135700000000, -0.0471613000000000 ] - [ 0.0353945600000000, -0.0057219600000000, -0.0471613000000000 ] - [ -0.0000552700000000, 0.0003282200000000, 0.0000794300000000 ] - [ -0.0226526400000000, -0.0277916100000000, -0.0471613000000000 ] - [ -0.0002566100000000, -0.0002119800000000, 0.0000794300000000 ] - [ 0.0002608200000000, -0.0001562800000000, -0.0030661700000000 ] - [ 0.0000037600000000, -0.0002641700000000, 0.0000668200000000 ] - [ -0.0002306500000000, 0.0001288300000000, 0.0000668200000000 ] - [ 0.0000049300000000, 0.0003040200000000, -0.0030661700000000 ] - [ 0.0002269000000000, 0.0001353400000000, 0.0000668200000000 ] - [ -0.0002657600000000, -0.0001477400000000, -0.0030661700000000 ] - [ 0.0002913200000000, -0.0001403900000000, 0.0001277400000000 ] - [ -0.0000016500000000, -0.0002600800000000, -0.0000041300000000 ] - [ -0.0002244100000000, 0.0001314800000000, -0.0000041300000000 ] - [ -0.0000240700000000, 0.0003224800000000, 0.0001277400000000 ] - [ 0.0002260700000000, 0.0001286100000000, -0.0000041300000000 ] - [ -0.0002672400000000, -0.0001820900000000, 0.0001277400000000 ] - [ 0.0001849600000000, 0.0000824300000000, -0.0002147000000000 ] - [ 0.0003758800000000, -0.0005689900000000, 0.0000054000000000 ] - [ 0.0015647000000000, -0.0036466900000000, -0.0008843200000000 ] - [ -0.0006807000000000, -0.0000410300000000, 0.0000054000000000 ] - [ -0.0000211000000000, -0.0002013900000000, -0.0002147000000000 ] - [ -0.0011942100000000, 0.0001984700000000, -0.0002847600000000 ] - [ 0.0007689800000000, 0.0009349800000000, -0.0002847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1606520700000000 ] - [ 0.0004252300000000, -0.0011334500000000, -0.0002847600000000 ] - [ -0.0039404700000000, 0.0004682700000000, -0.0008843200000000 ] - [ 0.0003048200000000, 0.0006100200000000, 0.0000054000000000 ] - [ 0.0023757700000000, 0.0031784100000000, -0.0008843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000453200000000 ] - [ -0.0001638600000000, 0.0001189600000000, -0.0002147000000000 ] - [ 0.0015679600000000, 0.0000152700000000, -0.0022791000000000 ] - [ 0.0002211100000000, -0.0001473900000000, -0.0002487600000000 ] - [ 0.0001976600000000, -0.0001289400000000, 0.0001536100000000 ] - [ -0.0002382000000000, -0.0001177900000000, -0.0002487600000000 ] - [ -0.0007707500000000, -0.0013655300000000, -0.0022791000000000 ] - [ -0.0003506600000000, 0.0001187400000000, -0.0004085000000000 ] - [ 0.0002781600000000, 0.0002443100000000, -0.0004085000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001074500000000 ] - [ 0.0000725000000000, -0.0003630500000000, -0.0004085000000000 ] - [ -0.0002105000000000, -0.0001067100000000, 0.0001536100000000 ] - [ 0.0000170900000000, 0.0002651800000000, -0.0002487600000000 ] - [ 0.0000128400000000, 0.0002356500000000, 0.0001536100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000530300000000 ] - [ -0.0007972000000000, 0.0013502500000000, -0.0022791000000000 ] - [ 0.0002072000000000, 0.0001098800000000, -0.0002179700000000 ] - [ 0.0003208600000000, -0.0001248100000000, 0.0001431500000000 ] - [ 0.0001985300000000, -0.0001226300000000, 0.0001553300000000 ] - [ -0.0002685200000000, -0.0002154700000000, 0.0001431500000000 ] - [ -0.0000084400000000, -0.0002343800000000, -0.0002179700000000 ] - [ -0.0003571700000000, 0.0001225300000000, -0.0003962400000000 ] - [ 0.0002847000000000, 0.0002480600000000, -0.0003962400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001166400000000 ] - [ 0.0000724700000000, -0.0003705900000000, -0.0003962400000000 ] - [ -0.0002054700000000, -0.0001106100000000, 0.0001553300000000 ] - [ -0.0000523400000000, 0.0003402800000000, 0.0001431500000000 ] - [ 0.0000069400000000, 0.0002332500000000, 0.0001553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538000000000 ] - [ -0.0001987600000000, 0.0001245000000000, -0.0002179700000000 ] - [ 0.0007095700000000, 0.0004750500000000, 0.0000912500000000 ] - [ 0.0000665700000000, -0.0000419800000000, -0.0000998100000000 ] - [ -0.0000025200000000, -0.0003610900000000, 0.0003270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000884700000000 ] - [ -0.0003114600000000, 0.0001827300000000, 0.0003270900000000 ] - [ -0.0004722900000000, 0.0000875000000000, 0.0000179900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000835800000000 ] - [ 0.0003139700000000, 0.0001783700000000, 0.0003270900000000 ] - [ 0.0003119200000000, 0.0003652600000000, 0.0000179900000000 ] - [ 0.0000566200000000, -0.0008520300000000, 0.0000912500000000 ] - [ -0.0000696400000000, -0.0000366700000000, -0.0000998100000000 ] - [ 0.0000030700000000, 0.0000786400000000, -0.0000998100000000 ] - [ -0.0007661900000000, 0.0003769800000000, 0.0000912500000000 ] - [ 0.0001603600000000, -0.0004527600000000, 0.0000179900000000 ] - [ -0.0000401300000000, -0.0000254400000000, 0.0001667600000000 ] - [ -0.0000515600000000, 0.0000903900000000, -0.0000594300000000 ] - [ 0.0001884800000000, -0.0001994500000000, 0.0000792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000095700000000 ] - [ -0.0002669700000000, -0.0000635000000000, 0.0000792800000000 ] - [ 0.0002518500000000, 0.0002498900000000, 0.0000796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002803900000000 ] - [ 0.0000784900000000, 0.0002629500000000, 0.0000792800000000 ] - [ 0.0000904800000000, -0.0003430500000000, 0.0000796700000000 ] - [ -0.0000019700000000, 0.0000474700000000, 0.0001667600000000 ] - [ 0.0001040600000000, -0.0000005400000000, -0.0000594300000000 ] - [ -0.0000525000000000, -0.0000898500000000, -0.0000594300000000 ] - [ 0.0000421000000000, -0.0000220300000000, 0.0001667600000000 ] - [ -0.0003423300000000, 0.0000931700000000, 0.0000796700000000 ] - [ -0.0000406300000000, -0.0000211600000000, 0.0002113500000000 ] - [ 0.0000189000000000, 0.0000520400000000, -0.0001321000000000 ] - [ 0.0002850900000000, -0.0001182200000000, 0.0000315100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000660400000000 ] - [ -0.0002449200000000, -0.0001877800000000, 0.0000315100000000 ] - [ 0.0002525300000000, 0.0002492600000000, 0.0000595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000088300000000 ] - [ -0.0000401600000000, 0.0003060000000000, 0.0000315100000000 ] - [ 0.0000896000000000, -0.0003433200000000, 0.0000595900000000 ] - [ 0.0000019900000000, 0.0000457700000000, 0.0002113500000000 ] - [ 0.0000356100000000, -0.0000423900000000, -0.0001321000000000 ] - [ -0.0000545200000000, -0.0000096500000000, -0.0001321000000000 ] - [ 0.0000386500000000, -0.0000246100000000, 0.0002113500000000 ] - [ -0.0003421300000000, 0.0000940700000000, 0.0000595900000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0002174300000000, -0.0001038700000000, -0.0001426200000000 ] - [ 0.0001099200000000, -0.0005598700000000, 0.0005063000000000 ] - [ 0.0006817600000000, 0.0007483200000000, 0.0002468000000000 ] - [ -0.0000409500000000, 0.0002459800000000, 0.0000514500000000 ] - [ 0.0046015300000000, -0.0000335900000000, -0.0051425300000000 ] - [ -0.0002167700000000, -0.0000933400000000, -0.0001163800000000 ] - [ -0.0001471200000000, 0.0001281200000000, -0.0001468000000000 ] - [ 0.0000017600000000, -0.0002677000000000, -0.0000014200000000 ] - [ -0.0002304600000000, 0.0001331300000000, 0.0000005800000000 ] - [ 0.0002488100000000, 0.0009796100000000, -0.0003979300000000 ] - [ 0.0002287300000000, 0.0001348700000000, -0.0000058200000000 ] - [ -0.0000044900000000, -0.0003149900000000, -0.0000211300000000 ] - [ 0.0001906700000000, -0.0001216200000000, -0.0000193600000000 ] - [ 0.0000196600000000, -0.0002662000000000, -0.0000649100000000 ] - [ -0.0002240900000000, 0.0000870100000000, -0.0000727900000000 ] - [ 0.0000053500000000, 0.0002275500000000, -0.0000194500000000 ] - [ 0.0002202300000000, 0.0001393500000000, -0.0000805800000000 ] - [ -0.0002001500000000, -0.0001091800000000, -0.0000172300000000 ] - [ 0.0003293900000000, 0.0001743000000000, -0.0001550600000000 ] - [ 0.0001110900000000, -0.0003117700000000, 0.0005522900000000 ] - [ -0.0000919000000000, -0.0003426300000000, 0.0001132800000000 ] - [ -0.0002516500000000, -0.0001777800000000, 0.0003660300000000 ] - [ 0.0000656600000000, -0.0002744100000000, -0.0002030700000000 ] - [ 0.0002587300000000, 0.0004927500000000, 0.0009158800000000 ] - [ 0.0149895000000000, -0.0154711800000000, -0.0166398400000000 ] - [ 0.0008662800000000, -0.0005079300000000, -0.0005150000000000 ] - [ -0.0003944900000000, -0.0005925100000000, -0.0009333200000000 ] - [ -0.0005486200000000, 0.0002863000000000, -0.0003097600000000 ] - [ -0.0016956900000000, -0.0002033600000000, 0.0005937500000000 ] - [ -0.0001336000000000, -0.0000004200000000, -0.0000278900000000 ] - [ -0.0000172700000000, -0.0000132300000000, -0.0002254300000000 ] - [ -0.0001883100000000, 0.0001627400000000, -0.0001628400000000 ] - [ 0.0001266900000000, -0.0000180400000000, -0.0003495400000000 ] - [ 0.0003915000000000, -0.0003331700000000, 0.0002087100000000 ] - [ 0.0002142600000000, -0.0001667900000000, 0.0002189200000000 ] - [ -0.0003000700000000, -0.0001654100000000, 0.0001818300000000 ] - [ 0.0002720900000000, -0.0001719100000000, 0.0001316300000000 ] - [ -0.0003033700000000, 0.0001294600000000, -0.0001570000000000 ] - [ 0.0002562200000000, 0.0002066200000000, -0.0001583400000000 ] - [ -0.0000005800000000, 0.0000021600000000, 0.0002064000000000 ] - [ 0.0000465400000000, -0.0003204000000000, -0.0001573200000000 ] - [ -0.0002516600000000, -0.0001008100000000, 0.0002199000000000 ] - [ -0.0002270800000000, 0.0006000500000000, 0.0004151800000000 ] - [ 0.0000393100000000, 0.0002693600000000, 0.0002195600000000 ] - [ -0.0000591400000000, -0.0000780500000000, -0.0001221600000000 ] - [ -0.0002738400000000, 0.0001267500000000, -0.0002755100000000 ] - [ 0.0002634000000000, 0.0000994200000000, -0.0001876400000000 ] - [ 0.0003234100000000, -0.0001251500000000, 0.0003156800000000 ] - [ 0.0001987100000000, -0.0001551000000000, 0.0002279100000000 ] - [ -0.0002717600000000, -0.0002164400000000, 0.0003144200000000 ] - [ -0.0000433000000000, -0.0002786800000000, -0.0001857500000000 ] - [ -0.0002951200000000, 0.0001262500000000, -0.0001277700000000 ] - [ 0.0002706000000000, 0.0001978700000000, -0.0001725600000000 ] - [ 0.0000067400000000, 0.0000009300000000, 0.0002122800000000 ] - [ 0.0000446000000000, -0.0003178500000000, -0.0001558900000000 ] - [ -0.0002606800000000, -0.0001013700000000, 0.0002220000000000 ] - [ -0.0000540700000000, 0.0003441000000000, 0.0003140100000000 ] - [ 0.0000483500000000, 0.0002884300000000, 0.0002303100000000 ] - [ 0.0000003500000000, -0.0000007300000000, -0.0001897300000000 ] - [ -0.0002188000000000, 0.0001761400000000, -0.0001866600000000 ] - [ -0.0282773100000000, 0.0187305800000000, 0.0219423800000000 ] - [ 0.0000083800000000, -0.0000112700000000, -0.0000873500000000 ] - [ 0.0005686000000000, 0.0000492300000000, -0.0009862500000000 ] - [ 0.0001815700000000, 0.0003114900000000, 0.0007886600000000 ] - [ -0.0002669900000000, -0.0001351400000000, -0.0000413100000000 ] - [ 0.0002959300000000, 0.0003123500000000, -0.0000994600000000 ] - [ 0.0000879100000000, 0.0000979800000000, -0.0000154600000000 ] - [ -0.0000618200000000, 0.0002638300000000, -0.0001491000000000 ] - [ 0.0044479500000000, -0.0043294700000000, -0.0014561600000000 ] - [ 0.0006715200000000, 0.0011211900000000, 0.0005278900000000 ] - [ 0.0011049900000000, -0.0003239400000000, 0.0002890800000000 ] - [ 0.0002583000000000, -0.0001630900000000, -0.0001034400000000 ] - [ 0.0025652300000000, -0.0000463700000000, 0.0007130800000000 ] - [ -0.0002629700000000, -0.0000641200000000, 0.0002390200000000 ] - [ -0.0000198600000000, -0.0000711100000000, 0.0000866100000000 ] - [ 0.0000297500000000, 0.0000272300000000, -0.0001378200000000 ] - [ 0.0003825100000000, -0.0001081800000000, -0.0000590500000000 ] - [ 0.0000007200000000, -0.0000015400000000, -0.0000607800000000 ] - [ -0.0003497600000000, -0.0001162200000000, -0.0001064900000000 ] - [ 0.0002475100000000, 0.0001824000000000, -0.0000067200000000 ] - [ -0.0000385100000000, -0.0000522200000000, 0.0000733800000000 ] - [ -0.0000568500000000, 0.0003352300000000, 0.0000265600000000 ] - [ 0.0000395800000000, -0.0003116800000000, -0.0000051500000000 ] - [ -0.0000569600000000, 0.0000432700000000, 0.0000831400000000 ] - [ 0.0000691600000000, -0.0000763500000000, -0.0001586700000000 ] - [ -0.0000485300000000, 0.0000092100000000, -0.0001424300000000 ] - [ 0.0000675200000000, 0.0000198500000000, 0.0000842300000000 ] - [ -0.0002886000000000, 0.0001216600000000, -0.0000044500000000 ] - [ -0.0000179000000000, -0.0000553400000000, 0.0001318400000000 ] - [ 0.0000298100000000, 0.0000387700000000, -0.0001799400000000 ] - [ 0.0003284200000000, -0.0001034500000000, -0.0000374400000000 ] - [ -0.0000080100000000, -0.0000039600000000, -0.0000036800000000 ] - [ -0.0002534700000000, -0.0002315300000000, -0.0000377800000000 ] - [ 0.0002508500000000, 0.0001832900000000, -0.0000231700000000 ] - [ 0.0000011800000000, 0.0000002300000000, -0.0000405000000000 ] - [ -0.0000724200000000, 0.0003358000000000, -0.0000365200000000 ] - [ 0.0000401700000000, -0.0003158800000000, -0.0000168100000000 ] - [ -0.0000472300000000, 0.0000428000000000, 0.0001285500000000 ] - [ 0.0000216300000000, -0.0000439000000000, -0.0001771200000000 ] - [ -0.0000493600000000, 0.0000038700000000, -0.0001782700000000 ] - [ 0.0000646400000000, 0.0000277800000000, 0.0001196100000000 ] - [ -0.0002915000000000, 0.0001146200000000, -0.0000207900000000 ]- atom: 61 displacement: [ -0.0100000000000000, -0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0002415500000000, -0.0001563600000000, 0.0001004700000000 ] - [ -0.0001068500000000, 0.0000420300000000, -0.0005680600000000 ] - [ -0.0011055300000000, -0.0005022800000000, -0.0002945300000000 ] - [ 0.0000379500000000, 0.0002828000000000, -0.0000911800000000 ] - [ -0.0041781900000000, 0.0003335600000000, 0.0051089800000000 ] - [ -0.0002352800000000, -0.0001798000000000, 0.0000738600000000 ] - [ 0.0006022400000000, -0.0003814400000000, 0.0002001800000000 ] - [ 0.0000051900000000, -0.0002714000000000, 0.0000380900000000 ] - [ -0.0002284700000000, 0.0001286300000000, 0.0000434000000000 ] - [ -0.0002584000000000, -0.0004414400000000, 0.0004495000000000 ] - [ 0.0002294900000000, 0.0001408100000000, 0.0000421600000000 ] - [ -0.0004438400000000, 0.0000457100000000, 0.0000681300000000 ] - [ 0.0002726800000000, -0.0001378700000000, 0.0000891900000000 ] - [ -0.0000093900000000, -0.0002559400000000, 0.0000012000000000 ] - [ -0.0002365400000000, 0.0001705200000000, 0.0000043700000000 ] - [ -0.0000193400000000, 0.0003131100000000, 0.0000968500000000 ] - [ 0.0002348700000000, 0.0001335700000000, 0.0000066400000000 ] - [ -0.0002593800000000, -0.0001743400000000, 0.0000948100000000 ] - [ 0.0001666100000000, 0.0000212100000000, -0.0002431200000000 ] - [ 0.0005260200000000, 0.0000627300000000, -0.0000772600000000 ] - [ 0.0005108400000000, 0.0000030300000000, 0.0002724900000000 ] - [ -0.0002881200000000, -0.0002498300000000, 0.0001099200000000 ] - [ -0.0001397700000000, -0.0002640200000000, -0.0001965900000000 ] - [ -0.0008636200000000, -0.0002492500000000, -0.0013532700000000 ] - [ -0.0144927200000000, 0.0161735800000000, 0.0165524900000000 ] - [ -0.0009214800000000, 0.0004944000000000, 0.0009329700000000 ] - [ 0.0004918400000000, -0.0000918800000000, 0.0004567800000000 ] - [ 0.0000579000000000, -0.0004897200000000, 0.0006877900000000 ] - [ 0.0016007800000000, 0.0008896900000000, -0.0001183200000000 ] - [ 0.0002119400000000, 0.0005387000000000, 0.0004109700000000 ] - [ 0.0000203900000000, 0.0000079300000000, -0.0001483200000000 ] - [ -0.0002342000000000, 0.0001721000000000, -0.0002299800000000 ] - [ 0.0003737000000000, 0.0002226200000000, -0.0000382700000000 ] - [ 0.0002449300000000, 0.0000760400000000, 0.0002691800000000 ] - [ 0.0002082000000000, -0.0001612600000000, 0.0001803300000000 ] - [ -0.0002415400000000, -0.0002559100000000, 0.0002929800000000 ] - [ -0.0003508300000000, -0.0003679200000000, -0.0005105000000000 ] - [ -0.0003329100000000, 0.0001209600000000, -0.0003203200000000 ] - [ 0.0002809200000000, 0.0002206500000000, -0.0003187200000000 ] - [ -0.0000002900000000, -0.0000038900000000, 0.0001695800000000 ] - [ 0.0000553500000000, -0.0003585500000000, -0.0003194200000000 ] - [ -0.0002438800000000, -0.0000995800000000, 0.0001765400000000 ] - [ 0.0001291400000000, 0.0000793000000000, 0.0000576200000000 ] - [ 0.0000370000000000, 0.0002614900000000, 0.0001779700000000 ] - [ 0.0000555000000000, 0.0000779300000000, -0.0002725700000000 ] - [ -0.0001551900000000, 0.0002046300000000, -0.0001149600000000 ] - [ 0.0002419300000000, 0.0001038500000000, -0.0002195600000000 ] - [ 0.0003105400000000, -0.0001265700000000, 0.0001625600000000 ] - [ 0.0002321500000000, -0.0001815000000000, 0.0001788400000000 ] - [ -0.0002642700000000, -0.0002063600000000, 0.0001615500000000 ] - [ -0.0000322500000000, -0.0002608600000000, -0.0002202900000000 ] - [ -0.0003397200000000, 0.0001263500000000, -0.0003550400000000 ] - [ 0.0002664600000000, 0.0002236700000000, -0.0003069900000000 ] - [ -0.0000065700000000, 0.0000026800000000, 0.0001835100000000 ] - [ 0.0000552700000000, -0.0003583900000000, -0.0003282700000000 ] - [ -0.0002501200000000, -0.0000970200000000, 0.0001915200000000 ] - [ -0.0000467400000000, 0.0003320600000000, 0.0001635700000000 ] - [ 0.0000267400000000, 0.0002597300000000, 0.0001827300000000 ] - [ -0.0000004300000000, 0.0000018200000000, -0.0001971300000000 ] - [ -0.0002107800000000, 0.0001568800000000, -0.0002227800000000 ] - [ 0.0282398900000000, -0.0192016600000000, -0.0222110700000000 ] - [ 0.0000397200000000, 0.0001208000000000, -0.0001312500000000 ] - [ 0.0000400400000000, -0.0002707500000000, 0.0009659200000000 ] - [ -0.0001729600000000, -0.0003139700000000, -0.0009235900000000 ] - [ -0.0002356000000000, -0.0002800700000000, 0.0000015500000000 ] - [ 0.0002073500000000, 0.0001074300000000, 0.0000655200000000 ] - [ -0.0000849600000000, -0.0000946600000000, 0.0000996300000000 ] - [ -0.0000458100000000, 0.0003807600000000, 0.0001097300000000 ] - [ -0.0044152100000000, 0.0037787700000000, 0.0014400000000000 ] - [ -0.0007374100000000, -0.0010295200000000, -0.0002798600000000 ] - [ -0.0010057700000000, 0.0002203800000000, -0.0005267700000000 ] - [ -0.0003789400000000, 0.0001421200000000, -0.0001097600000000 ] - [ -0.0023685700000000, 0.0000685600000000, -0.0004552400000000 ] - [ -0.0003561000000000, 0.0002968100000000, -0.0002703600000000 ] - [ -0.0000267100000000, -0.0000399400000000, 0.0001319600000000 ] - [ 0.0000126200000000, 0.0000665500000000, -0.0001141900000000 ] - [ 0.0002370000000000, -0.0001147500000000, 0.0000901000000000 ] - [ -0.0000018600000000, -0.0000015300000000, -0.0000199100000000 ] - [ -0.0001501700000000, -0.0003074900000000, 0.0001379300000000 ] - [ 0.0002536800000000, 0.0002311100000000, 0.0000475000000000 ] - [ 0.0000408800000000, 0.0000515900000000, 0.0000684300000000 ] - [ -0.0000580000000000, 0.0003091900000000, 0.0000082600000000 ] - [ 0.0000697200000000, -0.0003317800000000, 0.0000458600000000 ] - [ -0.0000174800000000, 0.0000517100000000, 0.0001371300000000 ] - [ -0.0000023200000000, -0.0000086900000000, -0.0000923800000000 ] - [ -0.0000553300000000, -0.0000220200000000, -0.0001103200000000 ] - [ 0.0000538400000000, -0.0000036700000000, 0.0001345200000000 ] - [ -0.0003236100000000, 0.0001030300000000, 0.0000459000000000 ] - [ -0.0000240200000000, -0.0000402400000000, 0.0001745600000000 ] - [ 0.0000124300000000, 0.0000542600000000, -0.0001247300000000 ] - [ 0.0002914500000000, -0.0001150100000000, 0.0000255000000000 ] - [ 0.0000071800000000, -0.0000016600000000, 0.0000362500000000 ] - [ -0.0002448200000000, -0.0001934100000000, 0.0000268200000000 ] - [ 0.0002484000000000, 0.0002416600000000, 0.0000383700000000 ] - [ 0.0000015700000000, 0.0000001800000000, 0.0000100800000000 ] - [ -0.0000451700000000, 0.0003084400000000, 0.0000275500000000 ] - [ 0.0000765000000000, -0.0003313000000000, 0.0000298100000000 ] - [ -0.0000161300000000, 0.0000395900000000, 0.0001789100000000 ] - [ 0.0000445700000000, -0.0000390100000000, -0.0001277500000000 ] - [ -0.0000553100000000, -0.0000183600000000, -0.0001261100000000 ] - [ 0.0000425200000000, -0.0000164900000000, 0.0001868800000000 ] - [ -0.0003285800000000, 0.0001016500000000, 0.0000343200000000 ]- atom: 61 displacement: [ -0.0050000000079449, 0.0086602540332574, 0.0000000000000000 ] forces: - [ 0.0002257300000000, -0.0001467300000000, -0.0000378100000000 ] - [ -0.0002825300000000, -0.0002334500000000, -0.0003898200000000 ] - [ -0.0008099900000000, 0.0000421100000000, -0.0003462100000000 ] - [ -0.0000296300000000, 0.0005511500000000, 0.0001910400000000 ] - [ -0.0025965700000000, -0.0027754900000000, 0.0028828600000000 ] - [ -0.0001904600000000, -0.0001668200000000, 0.0000388900000000 ] - [ 0.0006516500000000, 0.0000519700000000, -0.0000738200000000 ] - [ 0.0000096300000000, -0.0002912800000000, 0.0000474200000000 ] - [ -0.0002609800000000, 0.0001229800000000, 0.0000439600000000 ] - [ -0.0002613500000000, -0.0012832100000000, 0.0003676900000000 ] - [ 0.0002388500000000, 0.0001543400000000, 0.0000479600000000 ] - [ -0.0003658500000000, 0.0000639400000000, -0.0001124400000000 ] - [ 0.0003356600000000, -0.0001513600000000, 0.0001705500000000 ] - [ 0.0000448700000000, -0.0003182900000000, -0.0000666800000000 ] - [ -0.0002242600000000, 0.0001673100000000, 0.0000077500000000 ] - [ -0.0000357900000000, 0.0003457200000000, 0.0001649500000000 ] - [ 0.0002001800000000, 0.0001387600000000, 0.0000020600000000 ] - [ -0.0002929600000000, -0.0002191200000000, 0.0001684600000000 ] - [ 0.0001027700000000, 0.0000786300000000, -0.0002349800000000 ] - [ 0.0005427800000000, 0.0001540800000000, -0.0004171400000000 ] - [ 0.0010371700000000, 0.0005440500000000, -0.0000322700000000 ] - [ -0.0001950400000000, -0.0003877900000000, 0.0001940800000000 ] - [ 0.0000337200000000, -0.0001938400000000, -0.0002246500000000 ] - [ -0.0004342900000000, -0.0005172900000000, -0.0005443400000000 ] - [ -0.0214133100000000, 0.0358711900000000, 0.0334992900000000 ] - [ -0.0006155700000000, -0.0002496300000000, -0.0000392900000000 ] - [ 0.0000922700000000, 0.0000132800000000, 0.0003400900000000 ] - [ 0.0004335800000000, -0.0010057200000000, 0.0005115000000000 ] - [ 0.0003158600000000, 0.0004873400000000, -0.0004684500000000 ] - [ 0.0000196300000000, 0.0008143100000000, 0.0004538300000000 ] - [ -0.0000079600000000, -0.0000228700000000, 0.0000629100000000 ] - [ -0.0001996700000000, 0.0000702400000000, -0.0002394000000000 ] - [ 0.0003919600000000, 0.0002834400000000, -0.0000701000000000 ] - [ 0.0003480600000000, 0.0000287000000000, 0.0005680600000000 ] - [ 0.0001698900000000, -0.0000638900000000, 0.0001193700000000 ] - [ -0.0002995700000000, -0.0003298200000000, 0.0002622100000000 ] - [ -0.0002164000000000, -0.0001334200000000, -0.0009502500000000 ] - [ -0.0004060800000000, 0.0001265800000000, -0.0004825000000000 ] - [ 0.0003262300000000, 0.0003010200000000, -0.0004742900000000 ] - [ -0.0000040000000000, -0.0000018100000000, 0.0000224600000000 ] - [ 0.0000941800000000, -0.0004419400000000, -0.0004827100000000 ] - [ -0.0001436200000000, -0.0001204600000000, 0.0001273800000000 ] - [ 0.0000589100000000, 0.0002757500000000, 0.0001179600000000 ] - [ -0.0000261600000000, 0.0001959800000000, 0.0001337700000000 ] - [ 0.0001382400000000, 0.0001210100000000, -0.0001560300000000 ] - [ -0.0001661100000000, 0.0001085600000000, -0.0000161100000000 ] - [ 0.0001414400000000, 0.0001177200000000, -0.0001944400000000 ] - [ 0.0003592800000000, -0.0001291900000000, 0.0001999000000000 ] - [ 0.0001856000000000, -0.0000723400000000, 0.0001204600000000 ] - [ -0.0002903000000000, -0.0002469200000000, 0.0001932500000000 ] - [ 0.0000413900000000, -0.0001844900000000, -0.0001912700000000 ] - [ -0.0004339900000000, 0.0001326000000000, -0.0005092800000000 ] - [ 0.0003259500000000, 0.0002924700000000, -0.0004839200000000 ] - [ 0.0000098000000000, -0.0000268700000000, 0.0000560300000000 ] - [ 0.0000678000000000, -0.0003660900000000, -0.0004696100000000 ] - [ -0.0001943400000000, -0.0001304000000000, 0.0001245600000000 ] - [ -0.0000871800000000, 0.0004006900000000, 0.0002087800000000 ] - [ -0.0000033500000000, 0.0001821700000000, 0.0001147200000000 ] - [ -0.0000015700000000, -0.0000072200000000, -0.0000711900000000 ] - [ -0.0001824900000000, 0.0000651700000000, -0.0001898500000000 ] - [ 0.0308739800000000, -0.0405514300000000, -0.0348254700000000 ] - [ -0.0000030100000000, 0.0001064900000000, -0.0001015500000000 ] - [ 0.0003495600000000, 0.0002477400000000, 0.0008513000000000 ] - [ 0.0004058300000000, -0.0001553100000000, -0.0004271100000000 ] - [ -0.0002855300000000, -0.0003302500000000, -0.0000047400000000 ] - [ 0.0002372900000000, 0.0000938200000000, -0.0000230000000000 ] - [ -0.0000964700000000, -0.0000776200000000, 0.0000812500000000 ] - [ -0.0001743300000000, 0.0004338200000000, -0.0000173700000000 ] - [ -0.0057418300000000, 0.0034374900000000, 0.0002606900000000 ] - [ 0.0002469900000000, 0.0012871400000000, 0.0002088000000000 ] - [ -0.0008420000000000, 0.0004689700000000, 0.0008362200000000 ] - [ -0.0002551900000000, 0.0011331100000000, -0.0008155600000000 ] - [ -0.0009034900000000, 0.0002437300000000, -0.0005386800000000 ] - [ -0.0001507100000000, 0.0015558700000000, -0.0003797400000000 ] - [ -0.0000540500000000, -0.0000074800000000, 0.0001821300000000 ] - [ 0.0000218400000000, 0.0001013700000000, -0.0001383200000000 ] - [ 0.0002445900000000, -0.0001509900000000, 0.0000678400000000 ] - [ -0.0000044200000000, -0.0000002300000000, 0.0000284900000000 ] - [ -0.0001386000000000, -0.0004146000000000, 0.0000910200000000 ] - [ 0.0002571400000000, 0.0002621300000000, 0.0000904000000000 ] - [ 0.0000299000000000, 0.0001200000000000, 0.0000478100000000 ] - [ -0.0000361500000000, 0.0003060800000000, 0.0000136000000000 ] - [ 0.0000887300000000, -0.0003498800000000, 0.0000861300000000 ] - [ 0.0000252800000000, 0.0000667900000000, 0.0002038000000000 ] - [ -0.0000326400000000, -0.0000131700000000, -0.0001480000000000 ] - [ -0.0000386500000000, 0.0000701100000000, -0.0001864500000000 ] - [ 0.0000382200000000, -0.0000484000000000, 0.0002033000000000 ] - [ -0.0003489200000000, 0.0000989100000000, 0.0000881800000000 ] - [ -0.0000566800000000, -0.0000054000000000, 0.0002350600000000 ] - [ 0.0000319900000000, 0.0000389000000000, -0.0001493400000000 ] - [ 0.0002932400000000, -0.0001181600000000, 0.0000236900000000 ] - [ 0.0000024100000000, -0.0000076400000000, 0.0000784200000000 ] - [ -0.0002439300000000, -0.0001895400000000, 0.0000308400000000 ] - [ 0.0002562500000000, 0.0002666500000000, 0.0000744700000000 ] - [ 0.0000027200000000, 0.0000039500000000, -0.0000012800000000 ] - [ -0.0000413000000000, 0.0003102000000000, 0.0000288700000000 ] - [ 0.0000963900000000, -0.0003533700000000, 0.0000758300000000 ] - [ 0.0000317100000000, 0.0000495400000000, 0.0002426300000000 ] - [ 0.0000225000000000, -0.0000477500000000, -0.0001486100000000 ] - [ -0.0000490800000000, 0.0000086500000000, -0.0001500600000000 ] - [ 0.0000307200000000, -0.0000570200000000, 0.0002477900000000 ] - [ -0.0003619600000000, 0.0000812500000000, 0.0000814000000000 ]- atom: 61 displacement: [ 0.0050000000079449, -0.0086602540332574, 0.0000000000000000 ] forces: - [ 0.0002832100000000, -0.0001264300000000, 0.0000277700000000 ] - [ 0.0003013300000000, -0.0003256400000000, 0.0002852000000000 ] - [ 0.0002915800000000, 0.0002283000000000, 0.0002255700000000 ] - [ -0.0000086000000000, 0.0000590700000000, -0.0001760900000000 ] - [ 0.0030765700000000, 0.0030478800000000, -0.0030099800000000 ] - [ -0.0002789100000000, -0.0001416800000000, -0.0000480200000000 ] - [ -0.0000929900000000, -0.0003236200000000, 0.0002241400000000 ] - [ 0.0000179800000000, -0.0003073800000000, -0.0000563900000000 ] - [ -0.0002622300000000, 0.0001399000000000, -0.0000526100000000 ] - [ 0.0002379000000000, 0.0018488000000000, -0.0002762400000000 ] - [ 0.0002560700000000, 0.0001640500000000, -0.0000577800000000 ] - [ -0.0001122400000000, -0.0003794600000000, 0.0002114500000000 ] - [ 0.0001996400000000, -0.0001173500000000, -0.0000368000000000 ] - [ 0.0000097600000000, -0.0002970000000000, -0.0000869400000000 ] - [ -0.0002698600000000, 0.0000924900000000, -0.0001293500000000 ] - [ 0.0000030700000000, 0.0002427300000000, -0.0000346300000000 ] - [ 0.0002847700000000, 0.0001726100000000, -0.0001320300000000 ] - [ -0.0002049500000000, -0.0001192200000000, -0.0000342200000000 ] - [ 0.0002874900000000, 0.0001543500000000, -0.0001211300000000 ] - [ 0.0001937600000000, -0.0003938600000000, 0.0009543100000000 ] - [ -0.0006749800000000, -0.0007764300000000, 0.0003671900000000 ] - [ -0.0004065100000000, -0.0001363700000000, 0.0003717200000000 ] - [ -0.0000475700000000, -0.0002611300000000, -0.0001362200000000 ] - [ -0.0002869500000000, 0.0007671000000000, -0.0000007400000000 ] - [ 0.0213668300000000, -0.0345487500000000, -0.0326977500000000 ] - [ 0.0006049500000000, 0.0002434000000000, 0.0002819700000000 ] - [ 0.0000696700000000, -0.0007853600000000, -0.0009059400000000 ] - [ -0.0008234200000000, 0.0007869400000000, -0.0001574400000000 ] - [ -0.0004530000000000, 0.0002587900000000, 0.0010423000000000 ] - [ -0.0000190300000000, -0.0003481700000000, -0.0001099300000000 ] - [ 0.0000094400000000, 0.0000349200000000, -0.0002909600000000 ] - [ -0.0001842900000000, 0.0001681400000000, -0.0001467200000000 ] - [ 0.0000019000000000, -0.0000678100000000, -0.0002853700000000 ] - [ 0.0003183200000000, -0.0002830200000000, -0.0000022700000000 ] - [ 0.0002136200000000, -0.0001632200000000, 0.0002348600000000 ] - [ -0.0002731500000000, -0.0001509000000000, 0.0003102500000000 ] - [ 0.0002222400000000, -0.0003482000000000, 0.0006337400000000 ] - [ -0.0003012200000000, 0.0001263500000000, -0.0000953900000000 ] - [ 0.0002531000000000, 0.0001979900000000, -0.0001030400000000 ] - [ 0.0000027300000000, 0.0000000700000000, 0.0002175600000000 ] - [ 0.0000444400000000, -0.0003118800000000, -0.0000949300000000 ] - [ -0.0002486400000000, -0.0001007000000000, 0.0002311700000000 ] - [ -0.0002127800000000, 0.0004956500000000, 0.0004686500000000 ] - [ 0.0000386800000000, 0.0002640600000000, 0.0002335600000000 ] - [ -0.0001212000000000, -0.0001330400000000, -0.0001116100000000 ] - [ -0.0002190400000000, 0.0001468500000000, -0.0003217300000000 ] - [ 0.0002629600000000, 0.0000990300000000, -0.0001707100000000 ] - [ 0.0003391300000000, -0.0001260700000000, 0.0003818900000000 ] - [ 0.0002089400000000, -0.0001644200000000, 0.0002531600000000 ] - [ -0.0002776700000000, -0.0002276100000000, 0.0003810500000000 ] - [ -0.0000454100000000, -0.0002767700000000, -0.0001731600000000 ] - [ -0.0002787900000000, 0.0001262200000000, -0.0000720500000000 ] - [ 0.0002500500000000, 0.0001928800000000, -0.0000951000000000 ] - [ -0.0000014200000000, 0.0000094100000000, 0.0002196500000000 ] - [ 0.0000448300000000, -0.0003303400000000, -0.0001053700000000 ] - [ -0.0002350100000000, -0.0001049500000000, 0.0002403300000000 ] - [ -0.0000581800000000, 0.0003525900000000, 0.0003791100000000 ] - [ 0.0000353400000000, 0.0002855800000000, 0.0002427100000000 ] - [ -0.0000013700000000, 0.0000018500000000, -0.0001798700000000 ] - [ -0.0002169100000000, 0.0001733200000000, -0.0001742000000000 ] - [ -0.0302276000000000, 0.0396015000000000, 0.0338048600000000 ] - [ 0.0000764100000000, -0.0000142200000000, -0.0001566700000000 ] - [ 0.0002697800000000, -0.0004679000000000, -0.0009205300000000 ] - [ -0.0004112600000000, 0.0001462700000000, 0.0003092800000000 ] - [ -0.0002211100000000, -0.0000999700000000, -0.0000520300000000 ] - [ 0.0002702100000000, 0.0003421800000000, 0.0000130100000000 ] - [ 0.0001006500000000, 0.0000850800000000, -0.0000315400000000 ] - [ 0.0000660900000000, 0.0002185500000000, -0.0000324600000000 ] - [ 0.0057141600000000, -0.0039877700000000, -0.0002582300000000 ] - [ -0.0002750100000000, -0.0011657900000000, 0.0000758800000000 ] - [ 0.0009052800000000, -0.0005800400000000, -0.0011318800000000 ] - [ 0.0001287800000000, -0.0011033300000000, 0.0005398600000000 ] - [ 0.0010122800000000, -0.0002564200000000, 0.0008350500000000 ] - [ -0.0004953100000000, -0.0013593100000000, 0.0003753900000000 ] - [ -0.0000157300000000, -0.0000812300000000, 0.0000770000000000 ] - [ 0.0000449800000000, -0.0000311100000000, -0.0001548000000000 ] - [ 0.0003891700000000, -0.0000703600000000, -0.0000572800000000 ] - [ 0.0000023800000000, -0.0000024500000000, -0.0000782900000000 ] - [ -0.0003609800000000, -0.0000213600000000, -0.0000791900000000 ] - [ 0.0002437000000000, 0.0001687600000000, -0.0000288600000000 ] - [ -0.0000252900000000, -0.0001174000000000, 0.0000601500000000 ] - [ -0.0000872000000000, 0.0003465100000000, 0.0000043800000000 ] - [ 0.0000290700000000, -0.0003022900000000, -0.0000272200000000 ] - [ -0.0000666400000000, 0.0000390400000000, 0.0000563200000000 ] - [ 0.0000679600000000, -0.0000845000000000, -0.0001447500000000 ] - [ -0.0000520100000000, -0.0000466200000000, -0.0001090200000000 ] - [ 0.0000707300000000, 0.0000284900000000, 0.0000584100000000 ] - [ -0.0002741200000000, 0.0001253200000000, -0.0000283000000000 ] - [ -0.0000077100000000, -0.0000700600000000, 0.0001063100000000 ] - [ 0.0000349600000000, 0.0000291400000000, -0.0001965400000000 ] - [ 0.0003441100000000, -0.0000963700000000, -0.0000591400000000 ] - [ -0.0000030900000000, -0.0000008900000000, -0.0000185500000000 ] - [ -0.0002536000000000, -0.0002501600000000, -0.0000600800000000 ] - [ 0.0002453400000000, 0.0001682800000000, -0.0000465600000000 ] - [ 0.0000006400000000, -0.0000000100000000, -0.0000574000000000 ] - [ -0.0000874500000000, 0.0003445800000000, -0.0000580700000000 ] - [ 0.0000316000000000, -0.0003037500000000, -0.0000435100000000 ] - [ -0.0000549000000000, 0.0000413400000000, 0.0001077800000000 ] - [ 0.0000116300000000, -0.0000454100000000, -0.0001949600000000 ] - [ -0.0000440400000000, 0.0000131800000000, -0.0001949700000000 ] - [ 0.0000664300000000, 0.0000330300000000, 0.0001029700000000 ] - [ -0.0002772600000000, 0.0001228600000000, -0.0000423900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008167000000000, -0.0005774900000000, 0.0009816500000000 ] - [ 0.0001848600000000, -0.0001721000000000, -0.0005492900000000 ] - [ -0.0007981400000000, 0.0000938500000000, -0.0010866900000000 ] - [ 0.0000214300000000, 0.0003764600000000, -0.0000197900000000 ] - [ -0.0039173900000000, -0.0022227900000000, 0.0075644400000000 ] - [ -0.0001859000000000, -0.0002256200000000, -0.0000058200000000 ] - [ 0.0008009800000000, -0.0006723600000000, -0.0000655200000000 ] - [ 0.0000121400000000, -0.0002693500000000, 0.0001033700000000 ] - [ -0.0002718700000000, 0.0001280800000000, 0.0000908700000000 ] - [ -0.0005291000000000, -0.0007192800000000, 0.0003882000000000 ] - [ 0.0002193200000000, 0.0001376400000000, 0.0001189100000000 ] - [ -0.0005336700000000, -0.0000265600000000, 0.0000620600000000 ] - [ 0.0004149700000000, -0.0001629300000000, 0.0002580200000000 ] - [ 0.0000503900000000, -0.0003008700000000, -0.0000426100000000 ] - [ -0.0002235600000000, 0.0000455900000000, 0.0000093400000000 ] - [ -0.0000499900000000, 0.0004098500000000, 0.0002356500000000 ] - [ 0.0003793200000000, 0.0001097200000000, 0.0000273100000000 ] - [ -0.0003288800000000, -0.0002424100000000, 0.0002314700000000 ] - [ 0.0000566600000000, 0.0001232100000000, -0.0002302800000000 ] - [ 0.0006571500000000, 0.0002846000000000, -0.0000489700000000 ] - [ 0.0006770100000000, 0.0003845800000000, 0.0002969500000000 ] - [ -0.0003336800000000, -0.0003665900000000, 0.0003067800000000 ] - [ -0.0000971300000000, -0.0001000700000000, -0.0002020300000000 ] - [ 0.0022480500000000, -0.0004721800000000, 0.0035117200000000 ] - [ -0.0173697400000000, 0.0308708800000000, 0.0392021400000000 ] - [ -0.0008656300000000, -0.0002355200000000, 0.0000280600000000 ] - [ 0.0000291300000000, -0.0005154300000000, 0.0018921900000000 ] - [ -0.0007269200000000, 0.0001877400000000, 0.0021054800000000 ] - [ 0.0006440900000000, 0.0005965800000000, 0.0008347000000000 ] - [ 0.0000469300000000, 0.0006451700000000, 0.0005881700000000 ] - [ -0.0000691800000000, 0.0000825700000000, 0.0000071800000000 ] - [ -0.0002589900000000, 0.0000400900000000, -0.0002878900000000 ] - [ 0.0001617100000000, 0.0002790000000000, -0.0000346700000000 ] - [ 0.0001151400000000, 0.0000981800000000, 0.0001377600000000 ] - [ 0.0001490200000000, -0.0000337300000000, 0.0000747500000000 ] - [ -0.0003949700000000, -0.0002921400000000, 0.0001328100000000 ] - [ -0.0004064100000000, -0.0004101000000000, -0.0005559200000000 ] - [ -0.0004253800000000, 0.0001149400000000, -0.0006033500000000 ] - [ 0.0003384600000000, 0.0003319000000000, -0.0006152400000000 ] - [ -0.0000110400000000, -0.0000005800000000, -0.0000535800000000 ] - [ 0.0001201800000000, -0.0004568200000000, -0.0006124500000000 ] - [ -0.0001035500000000, -0.0001275700000000, 0.0000931500000000 ] - [ 0.0000537600000000, 0.0001530000000000, -0.0000114800000000 ] - [ -0.0000603600000000, 0.0001666200000000, 0.0000744300000000 ] - [ 0.0001089600000000, 0.0001359600000000, -0.0001071500000000 ] - [ -0.0002324200000000, 0.0000740900000000, -0.0000852500000000 ] - [ 0.0000873900000000, 0.0001378100000000, -0.0002266200000000 ] - [ 0.0003411400000000, -0.0001173400000000, 0.0000571800000000 ] - [ 0.0001422800000000, -0.0000405600000000, 0.0001643500000000 ] - [ -0.0002894000000000, -0.0002564000000000, 0.0000674400000000 ] - [ 0.0000756600000000, -0.0001504800000000, -0.0002050000000000 ] - [ -0.0004194000000000, 0.0001188000000000, -0.0006038300000000 ] - [ 0.0003337800000000, 0.0003685300000000, -0.0006225600000000 ] - [ -0.0000155000000000, -0.0000508000000000, 0.0000212500000000 ] - [ 0.0000352600000000, -0.0003831600000000, -0.0005773700000000 ] - [ -0.0000816400000000, -0.0001854400000000, 0.0000202400000000 ] - [ -0.0000815200000000, 0.0003843000000000, 0.0000677300000000 ] - [ -0.0000015900000000, 0.0001821900000000, 0.0000863200000000 ] - [ 0.0000120800000000, -0.0000002000000000, -0.0000307200000000 ] - [ -0.0001489900000000, 0.0000184800000000, -0.0002111600000000 ] - [ 0.0224948100000000, -0.0274645200000000, -0.0495790700000000 ] - [ 0.0000335100000000, 0.0001116900000000, -0.0001429300000000 ] - [ 0.0003192900000000, 0.0005366400000000, 0.0009950800000000 ] - [ 0.0006246200000000, 0.0005095700000000, 0.0004648700000000 ] - [ -0.0001402700000000, -0.0004610700000000, -0.0001509700000000 ] - [ -0.0000706900000000, -0.0000694500000000, -0.0007002900000000 ] - [ -0.0000547200000000, 0.0000498700000000, 0.0000206300000000 ] - [ -0.0001990800000000, 0.0002698300000000, -0.0001451500000000 ] - [ -0.0003367700000000, -0.0011606400000000, -0.0033275200000000 ] - [ -0.0007396700000000, -0.0002393500000000, -0.0007001700000000 ] - [ -0.0006169600000000, 0.0003352800000000, 0.0000578600000000 ] - [ -0.0014462600000000, -0.0003543400000000, 0.0000744900000000 ] - [ -0.0004131600000000, 0.0002136400000000, -0.0006881800000000 ] - [ 0.0002504500000000, 0.0003827800000000, -0.0010173700000000 ] - [ -0.0000386400000000, 0.0000060200000000, 0.0001701600000000 ] - [ 0.0000055400000000, 0.0000577400000000, -0.0000684000000000 ] - [ 0.0001813500000000, -0.0001118900000000, 0.0001760100000000 ] - [ -0.0000004300000000, -0.0000061100000000, 0.0000653000000000 ] - [ -0.0001063100000000, -0.0002542900000000, 0.0002413700000000 ] - [ 0.0002517000000000, 0.0002863000000000, 0.0000992100000000 ] - [ 0.0001022600000000, 0.0000508600000000, 0.0001417200000000 ] - [ 0.0000229800000000, 0.0002981700000000, 0.0001156800000000 ] - [ 0.0001149500000000, -0.0003508700000000, 0.0000922300000000 ] - [ 0.0000202100000000, 0.0000471800000000, 0.0001767300000000 ] - [ 0.0000043000000000, -0.0000019400000000, -0.0000444200000000 ] - [ -0.0000263700000000, -0.0000319000000000, -0.0000577900000000 ] - [ 0.0000307400000000, -0.0000334800000000, 0.0001834200000000 ] - [ -0.0003674400000000, 0.0000707900000000, 0.0000956400000000 ] - [ -0.0000296900000000, -0.0000107300000000, 0.0002055700000000 ] - [ -0.0000085600000000, 0.0000639800000000, -0.0000459600000000 ] - [ 0.0002429800000000, -0.0001217900000000, 0.0001232600000000 ] - [ -0.0000105100000000, 0.0000033200000000, 0.0001207000000000 ] - [ -0.0002311800000000, -0.0001438400000000, 0.0001222300000000 ] - [ 0.0002388800000000, 0.0002907200000000, 0.0000746300000000 ] - [ -0.0000015300000000, 0.0000039400000000, 0.0000445100000000 ] - [ -0.0000110100000000, 0.0002683400000000, 0.0001260500000000 ] - [ 0.0001325600000000, -0.0003559100000000, 0.0000768800000000 ] - [ 0.0000282100000000, 0.0000368000000000, 0.0002283300000000 ] - [ 0.0000619500000000, -0.0000271400000000, -0.0000446800000000 ] - [ -0.0000593500000000, -0.0000405200000000, -0.0000502800000000 ] - [ 0.0000089500000000, -0.0000449000000000, 0.0002194400000000 ] - [ -0.0003636100000000, 0.0000977000000000, 0.0001043100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003243800000000, 0.0003020100000000, -0.0010323100000000 ] - [ -0.0001413100000000, -0.0004087100000000, 0.0004437700000000 ] - [ 0.0002083800000000, 0.0001697500000000, 0.0009354800000000 ] - [ -0.0000835200000000, 0.0002512000000000, 0.0000453300000000 ] - [ 0.0043698400000000, 0.0025532800000000, -0.0076249300000000 ] - [ -0.0002863500000000, -0.0000864400000000, -0.0000429000000000 ] - [ -0.0001872000000000, 0.0003650100000000, 0.0002206800000000 ] - [ 0.0000307100000000, -0.0003475000000000, -0.0001417100000000 ] - [ -0.0002941700000000, 0.0001445100000000, -0.0001272800000000 ] - [ 0.0005028300000000, 0.0012981700000000, -0.0002897000000000 ] - [ 0.0002776700000000, 0.0001877800000000, -0.0001342800000000 ] - [ 0.0000405300000000, -0.0003403100000000, 0.0000583800000000 ] - [ 0.0001702900000000, -0.0001068500000000, -0.0001068000000000 ] - [ 0.0000006000000000, -0.0003331000000000, -0.0001266400000000 ] - [ -0.0002649500000000, 0.0001943300000000, -0.0001159300000000 ] - [ 0.0000025300000000, 0.0002096000000000, -0.0000970000000000 ] - [ 0.0000958400000000, 0.0001866700000000, -0.0001650900000000 ] - [ -0.0001788800000000, -0.0000972800000000, -0.0001036400000000 ] - [ 0.0003024100000000, 0.0001152800000000, -0.0001274100000000 ] - [ 0.0001280200000000, -0.0005309700000000, 0.0006229400000000 ] - [ -0.0003243400000000, -0.0005699800000000, 0.0000249100000000 ] - [ -0.0002933800000000, -0.0001939800000000, 0.0002780700000000 ] - [ 0.0001147200000000, -0.0003202200000000, -0.0001448400000000 ] - [ -0.0029715200000000, 0.0007223300000000, -0.0040691800000000 ] - [ 0.0171685900000000, -0.0292151700000000, -0.0387168500000000 ] - [ 0.0008398800000000, 0.0002398600000000, 0.0001655600000000 ] - [ 0.0001368300000000, -0.0003023900000000, -0.0024613600000000 ] - [ 0.0003446800000000, -0.0004414000000000, -0.0016543800000000 ] - [ -0.0008107500000000, 0.0001821000000000, -0.0002839800000000 ] - [ -0.0000672400000000, -0.0002054100000000, -0.0002404000000000 ] - [ 0.0000676500000000, -0.0000682900000000, -0.0001882800000000 ] - [ -0.0001201700000000, 0.0001726400000000, -0.0001078900000000 ] - [ 0.0001855800000000, -0.0000578700000000, -0.0003140300000000 ] - [ 0.0005802400000000, -0.0003548600000000, 0.0004310300000000 ] - [ 0.0002176900000000, -0.0001744400000000, 0.0002754500000000 ] - [ -0.0002009200000000, -0.0002132100000000, 0.0004519400000000 ] - [ 0.0004418800000000, -0.0000539500000000, 0.0002337000000000 ] - [ -0.0003098700000000, 0.0001433900000000, 0.0000264800000000 ] - [ 0.0002694800000000, 0.0002039700000000, 0.0000246900000000 ] - [ 0.0000007300000000, -0.0000015000000000, 0.0002637000000000 ] - [ 0.0000309900000000, -0.0003302000000000, 0.0000277100000000 ] - [ -0.0002620200000000, -0.0001025300000000, 0.0002715100000000 ] - [ -0.0002313400000000, 0.0006656900000000, 0.0006198700000000 ] - [ 0.0000459200000000, 0.0002759400000000, 0.0002721800000000 ] - [ -0.0000821500000000, -0.0001553100000000, -0.0001274100000000 ] - [ -0.0001442800000000, 0.0001690400000000, -0.0002466100000000 ] - [ 0.0002862000000000, 0.0000977600000000, -0.0001456000000000 ] - [ 0.0003873700000000, -0.0001412000000000, 0.0005335500000000 ] - [ 0.0002366200000000, -0.0001761900000000, 0.0002114400000000 ] - [ -0.0003158100000000, -0.0002637400000000, 0.0005324400000000 ] - [ -0.0000606400000000, -0.0002942500000000, -0.0001451500000000 ] - [ -0.0003366400000000, 0.0001452800000000, 0.0000181400000000 ] - [ 0.0002737300000000, 0.0001543100000000, 0.0000274700000000 ] - [ 0.0000242700000000, 0.0000131500000000, 0.0002528500000000 ] - [ 0.0000830100000000, -0.0003262400000000, 0.0000173400000000 ] - [ -0.0003332400000000, -0.0000642700000000, 0.0003428600000000 ] - [ -0.0000750200000000, 0.0004038100000000, 0.0005345300000000 ] - [ 0.0000349800000000, 0.0002848100000000, 0.0002697900000000 ] - [ -0.0000019600000000, 0.0000025400000000, -0.0001826700000000 ] - [ -0.0002264700000000, 0.0001972400000000, -0.0001494700000000 ] - [ -0.0216900000000000, 0.0263334200000000, 0.0487100400000000 ] - [ 0.0000182700000000, -0.0000281600000000, -0.0000858400000000 ] - [ 0.0002913500000000, -0.0007688500000000, -0.0010571200000000 ] - [ -0.0005943600000000, -0.0004973600000000, -0.0005495400000000 ] - [ -0.0003525900000000, 0.0000416000000000, 0.0001216000000000 ] - [ 0.0005690700000000, 0.0005026900000000, 0.0006660300000000 ] - [ 0.0000575600000000, -0.0000497500000000, 0.0000450300000000 ] - [ 0.0000767000000000, 0.0003662700000000, 0.0001183700000000 ] - [ 0.0004540500000000, 0.0005081700000000, 0.0032605600000000 ] - [ 0.0006932600000000, 0.0003107300000000, 0.0009586000000000 ] - [ 0.0006910500000000, -0.0004367300000000, -0.0003137400000000 ] - [ 0.0013668200000000, 0.0003543500000000, -0.0003042800000000 ] - [ 0.0005010400000000, -0.0002137200000000, 0.0009549200000000 ] - [ -0.0008687700000000, -0.0001592800000000, 0.0009814400000000 ] - [ -0.0000163100000000, -0.0000857600000000, 0.0000577500000000 ] - [ 0.0000488900000000, 0.0000060000000000, -0.0001965100000000 ] - [ 0.0004501000000000, -0.0000881600000000, -0.0001461700000000 ] - [ 0.0000022000000000, 0.0000002100000000, -0.0001249600000000 ] - [ -0.0003889100000000, -0.0001819200000000, -0.0002084700000000 ] - [ 0.0002448200000000, 0.0001443500000000, -0.0000583800000000 ] - [ -0.0001057000000000, -0.0000448400000000, -0.0000251500000000 ] - [ -0.0001513800000000, 0.0003469700000000, -0.0000762100000000 ] - [ 0.0000084400000000, -0.0002906800000000, -0.0000568400000000 ] - [ -0.0000666400000000, 0.0000455100000000, 0.0000569200000000 ] - [ 0.0000278500000000, -0.0000775800000000, -0.0002185200000000 ] - [ -0.0000634000000000, 0.0000417100000000, -0.0002141500000000 ] - [ 0.0000754900000000, 0.0000271000000000, 0.0000530100000000 ] - [ -0.0002510000000000, 0.0001409700000000, -0.0000580200000000 ] - [ -0.0000148400000000, -0.0000574500000000, 0.0001052500000000 ] - [ 0.0000626900000000, -0.0000011000000000, -0.0002714900000000 ] - [ 0.0003917700000000, -0.0000806200000000, -0.0001348600000000 ] - [ 0.0000102000000000, -0.0000100400000000, -0.0000691900000000 ] - [ -0.0002631600000000, -0.0002971800000000, -0.0001340300000000 ] - [ 0.0002515700000000, 0.0001436800000000, -0.0000694800000000 ] - [ 0.0000012600000000, 0.0000022200000000, -0.0000904100000000 ] - [ -0.0001256200000000, 0.0003775000000000, -0.0001342500000000 ] - [ 0.0000047000000000, -0.0002843700000000, -0.0000696300000000 ] - [ -0.0000689700000000, 0.0000488800000000, 0.0000904900000000 ] - [ -0.0000287700000000, -0.0000536200000000, -0.0002718500000000 ] - [ -0.0000296800000000, 0.0000521700000000, -0.0002707100000000 ] - [ 0.0000752300000000, 0.0000281500000000, 0.0000996100000000 ] - [ -0.0002664400000000, 0.0001108400000000, -0.0000899300000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0002715700000000, -0.0002721800000000, 0.0006657900000000 ] - [ 0.0000211700000000, -0.0005631300000000, -0.0002708600000000 ] - [ -0.0002345900000000, 0.0001065400000000, -0.0002199600000000 ] - [ 0.0042890300000000, -0.0028938600000000, -0.0052784400000000 ] - [ 0.0002984700000000, 0.0002265900000000, -0.0001436300000000 ] - [ -0.0003900300000000, 0.0000822900000000, 0.0006520300000000 ] - [ 0.0003480200000000, -0.0001661300000000, 0.0000046600000000 ] - [ 0.0000668600000000, -0.0004569300000000, -0.0001992100000000 ] - [ -0.0004287900000000, 0.0001680500000000, -0.0001939400000000 ] - [ -0.0000235900000000, 0.0003364700000000, 0.0000130100000000 ] - [ 0.0003626900000000, 0.0002810100000000, -0.0001899200000000 ] - [ -0.0002468500000000, -0.0002180600000000, 0.0000165900000000 ] - [ 0.0003375300000000, -0.0001346400000000, 0.0000357800000000 ] - [ 0.0000150300000000, -0.0004945900000000, -0.0002975300000000 ] - [ -0.0009465800000000, 0.0004562900000000, 0.0002546800000000 ] - [ -0.0000446000000000, 0.0003500900000000, 0.0000368900000000 ] - [ 0.0002650800000000, -0.0000911800000000, -0.0003514900000000 ] - [ -0.0002866000000000, -0.0002174600000000, 0.0000441300000000 ] - [ -0.0002625400000000, -0.0004064400000000, -0.0012461700000000 ] - [ 0.0005901800000000, -0.0007175700000000, -0.0009690600000000 ] - [ 0.0001496400000000, -0.0000641600000000, 0.0001993900000000 ] - [ -0.0015844400000000, -0.0002628500000000, -0.0023653700000000 ] - [ -0.0004133400000000, 0.0000684200000000, -0.0002212400000000 ] - [ -0.0003747700000000, 0.0001089600000000, -0.0005241700000000 ] - [ 0.0001212900000000, 0.0004115000000000, -0.0000678700000000 ] - [ -0.0002608800000000, 0.0000727900000000, 0.0003667600000000 ] - [ -0.0009459000000000, -0.0008051500000000, 0.0004884900000000 ] - [ -0.0000561700000000, -0.0000722000000000, 0.0002959600000000 ] - [ 0.0248318300000000, 0.0179444100000000, -0.0230192100000000 ] - [ -0.0000629700000000, 0.0002108000000000, 0.0002044700000000 ] - [ 0.0008731600000000, 0.0002558300000000, -0.0005151600000000 ] - [ -0.0002367600000000, 0.0004648000000000, -0.0004624400000000 ] - [ 0.0001447100000000, 0.0001190500000000, -0.0001280300000000 ] - [ 0.0004113800000000, -0.0001279200000000, 0.0005393400000000 ] - [ 0.0001678800000000, -0.0000564200000000, 0.0002111900000000 ] - [ -0.0003217500000000, -0.0002875100000000, 0.0005109000000000 ] - [ 0.0000386200000000, -0.0001844500000000, -0.0000936000000000 ] - [ -0.0003517700000000, 0.0001277000000000, -0.0000973600000000 ] - [ 0.0002936000000000, 0.0002522400000000, -0.0000969500000000 ] - [ -0.0000021900000000, -0.0000003100000000, 0.0000926700000000 ] - [ 0.0000708400000000, -0.0003843700000000, -0.0000949400000000 ] - [ -0.0001319000000000, -0.0001212500000000, 0.0002124400000000 ] - [ -0.0001155700000000, 0.0004410200000000, 0.0005154500000000 ] - [ -0.0000386600000000, 0.0001778200000000, 0.0002101600000000 ] - [ 0.0000041700000000, -0.0000014700000000, -0.0000176000000000 ] - [ -0.0001790400000000, 0.0000720700000000, -0.0000885100000000 ] - [ 0.0001505100000000, 0.0001197400000000, -0.0001171800000000 ] - [ 0.0004051400000000, -0.0001496600000000, 0.0005234400000000 ] - [ 0.0005208700000000, 0.0000332000000000, 0.0005366900000000 ] - [ -0.0003162400000000, -0.0003015300000000, 0.0005131400000000 ] - [ 0.0000273200000000, -0.0001923700000000, -0.0001156300000000 ] - [ -0.0003419000000000, 0.0002238800000000, -0.0004710200000000 ] - [ -0.0000085700000000, 0.0001635900000000, -0.0000294800000000 ] - [ -0.0000197500000000, 0.0000733100000000, 0.0002020900000000 ] - [ 0.0000945000000000, -0.0003619900000000, -0.0002361100000000 ] - [ -0.0001541400000000, 0.0000047300000000, 0.0001749700000000 ] - [ -0.0000936300000000, 0.0004303700000000, 0.0005300600000000 ] - [ 0.0000098700000000, 0.0001345900000000, 0.0002598100000000 ] - [ 0.0000001900000000, -0.0000006200000000, -0.0000310100000000 ] - [ -0.0001741700000000, 0.0000675400000000, -0.0001146300000000 ] - [ 0.0002331000000000, 0.0001625700000000, 0.0001833800000000 ] - [ 0.0000854200000000, 0.0002741200000000, 0.0003969400000000 ] - [ -0.0378674600000000, -0.0201017300000000, 0.0311894900000000 ] - [ 0.0000887500000000, 0.0002094400000000, -0.0001366200000000 ] - [ 0.0010983900000000, 0.0004026000000000, -0.0000674300000000 ] - [ 0.0002341200000000, 0.0003185600000000, 0.0000939600000000 ] - [ 0.0018389300000000, 0.0019931400000000, -0.0006692800000000 ] - [ 0.0013341500000000, -0.0002769000000000, 0.0016244200000000 ] - [ 0.0001239500000000, -0.0003734800000000, -0.0000269800000000 ] - [ 0.0001403400000000, 0.0000127100000000, 0.0002006500000000 ] - [ 0.0061689600000000, 0.0030966200000000, -0.0006959300000000 ] - [ -0.0000618900000000, -0.0001204700000000, 0.0002559900000000 ] - [ -0.0000151700000000, -0.0001125800000000, 0.0003430900000000 ] - [ 0.0002686900000000, 0.0006025300000000, -0.0009427100000000 ] - [ -0.0000197700000000, -0.0000613100000000, 0.0000847100000000 ] - [ 0.0000537800000000, -0.0000070400000000, -0.0002352000000000 ] - [ 0.0003749200000000, -0.0000849700000000, -0.0000834800000000 ] - [ -0.0000014900000000, -0.0000007900000000, -0.0000866600000000 ] - [ -0.0002539400000000, -0.0002903100000000, -0.0000846500000000 ] - [ 0.0002429800000000, 0.0001723600000000, -0.0000307100000000 ] - [ 0.0000023300000000, 0.0000031800000000, -0.0000062300000000 ] - [ -0.0001095800000000, 0.0003608300000000, -0.0000804700000000 ] - [ 0.0000248000000000, -0.0003003500000000, -0.0000344600000000 ] - [ -0.0000429000000000, 0.0000477900000000, 0.0000854800000000 ] - [ -0.0000254300000000, -0.0000482600000000, -0.0002324000000000 ] - [ -0.0000188200000000, 0.0000548100000000, -0.0002386600000000 ] - [ 0.0000589000000000, 0.0000084700000000, 0.0000896000000000 ] - [ -0.0002701400000000, 0.0001292000000000, -0.0000327700000000 ] - [ 0.0000384400000000, -0.0000740300000000, 0.0000653500000000 ] - [ 0.0000547500000000, -0.0000050500000000, -0.0002490100000000 ] - [ 0.0003783800000000, -0.0000845700000000, -0.0001129800000000 ] - [ 0.0000750200000000, -0.0000031400000000, 0.0000259000000000 ] - [ -0.0002543900000000, -0.0002798600000000, -0.0001014100000000 ] - [ 0.0002449100000000, 0.0002654500000000, 0.0000299800000000 ] - [ -0.0000000700000000, 0.0000014600000000, -0.0000842700000000 ] - [ -0.0001216000000000, 0.0003720600000000, -0.0001078500000000 ] - [ 0.0001922200000000, -0.0003028100000000, -0.0001329100000000 ] - [ -0.0000301700000000, 0.0000477600000000, 0.0001448000000000 ] - [ -0.0000291700000000, -0.0000441900000000, -0.0002747700000000 ] - [ -0.0000186400000000, 0.0000606400000000, -0.0002651000000000 ] - [ -0.0000384200000000, -0.0001072900000000, 0.0001655300000000 ] - [ -0.0003096100000000, 0.0001035400000000, -0.0000096000000000 ]- atom: 63 displacement: [ -0.0100000000000000, -0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0003469200000000, -0.0000430400000000, -0.0005874500000000 ] - [ 0.0000633700000000, -0.0001589100000000, 0.0000195600000000 ] - [ -0.0005122500000000, 0.0001903400000000, -0.0000800900000000 ] - [ -0.0043712600000000, 0.0037415800000000, 0.0054087900000000 ] - [ 0.0002973400000000, 0.0002083600000000, -0.0001252400000000 ] - [ -0.0001515400000000, -0.0004737600000000, -0.0005941300000000 ] - [ 0.0004578400000000, -0.0001492700000000, 0.0002876600000000 ] - [ 0.0000239100000000, -0.0002971500000000, 0.0000462100000000 ] - [ -0.0002919100000000, 0.0001364100000000, 0.0000417200000000 ] - [ -0.0000503800000000, 0.0003911500000000, 0.0002077100000000 ] - [ 0.0002472300000000, 0.0001730800000000, 0.0000538100000000 ] - [ -0.0003623000000000, -0.0002644700000000, 0.0002280600000000 ] - [ 0.0004071100000000, -0.0001560300000000, 0.0002370700000000 ] - [ 0.0000968800000000, -0.0003214900000000, -0.0000010800000000 ] - [ 0.0003276000000000, -0.0001950400000000, -0.0004733700000000 ] - [ -0.0000537200000000, 0.0004088900000000, 0.0002176400000000 ] - [ 0.0002981000000000, 0.0004831100000000, 0.0000964700000000 ] - [ -0.0003349700000000, -0.0002474300000000, 0.0002213700000000 ] - [ 0.0005047900000000, 0.0006789300000000, 0.0009457400000000 ] - [ 0.0002479300000000, 0.0004623100000000, 0.0015764300000000 ] - [ 0.0001633200000000, -0.0000228800000000, 0.0000772100000000 ] - [ 0.0009349100000000, -0.0003533500000000, 0.0030167500000000 ] - [ 0.0004783300000000, -0.0004067600000000, -0.0000856900000000 ] - [ -0.0004309900000000, 0.0001465500000000, -0.0000823900000000 ] - [ 0.0005269500000000, 0.0001784100000000, -0.0005382200000000 ] - [ 0.0002407800000000, -0.0000727400000000, -0.0002835000000000 ] - [ 0.0011332600000000, -0.0000395600000000, -0.0011013300000000 ] - [ -0.0002092100000000, -0.0001748000000000, 0.0000489200000000 ] - [ -0.0244266000000000, -0.0166139400000000, 0.0227929200000000 ] - [ -0.0000268000000000, 0.0001577800000000, 0.0000994000000000 ] - [ -0.0008482000000000, -0.0002451200000000, 0.0004458000000000 ] - [ -0.0001102600000000, -0.0003468300000000, 0.0000792400000000 ] - [ 0.0000905500000000, 0.0001152200000000, -0.0001822600000000 ] - [ 0.0002943100000000, -0.0001210700000000, 0.0000810000000000 ] - [ 0.0001704300000000, -0.0000716300000000, 0.0001015200000000 ] - [ -0.0002812100000000, -0.0002509100000000, 0.0001238800000000 ] - [ 0.0000765200000000, -0.0001893000000000, -0.0001829500000000 ] - [ -0.0004070800000000, 0.0001230000000000, -0.0005325500000000 ] - [ 0.0003209500000000, 0.0003065600000000, -0.0005409200000000 ] - [ -0.0000081900000000, 0.0000052900000000, 0.0000077600000000 ] - [ 0.0001072400000000, -0.0004414500000000, -0.0005432800000000 ] - [ -0.0001399200000000, -0.0001164300000000, 0.0001152300000000 ] - [ -0.0000962200000000, 0.0004222300000000, 0.0001442700000000 ] - [ -0.0000379600000000, 0.0001926200000000, 0.0001065300000000 ] - [ 0.0000326900000000, -0.0000246700000000, -0.0000793800000000 ] - [ -0.0001513000000000, 0.0000719500000000, -0.0001932400000000 ] - [ 0.0001318800000000, 0.0001235800000000, -0.0002160700000000 ] - [ 0.0003413500000000, -0.0001043800000000, 0.0001215700000000 ] - [ -0.0001774900000000, -0.0001548800000000, -0.0001938900000000 ] - [ -0.0002924400000000, -0.0002384000000000, 0.0001300800000000 ] - [ 0.0000458400000000, -0.0001844700000000, -0.0002039800000000 ] - [ -0.0004451500000000, 0.0000350800000000, -0.0001774300000000 ] - [ 0.0006294800000000, 0.0003908300000000, -0.0006210100000000 ] - [ 0.0000332100000000, -0.0001296700000000, -0.0000398500000000 ] - [ 0.0000227900000000, -0.0003356900000000, -0.0003880400000000 ] - [ -0.0001729700000000, -0.0002891200000000, 0.0001323400000000 ] - [ -0.0000886500000000, 0.0003824000000000, 0.0001249300000000 ] - [ -0.0000165300000000, 0.0002529600000000, 0.0000459400000000 ] - [ 0.0000058200000000, -0.0000013100000000, -0.0000673300000000 ] - [ -0.0001695100000000, 0.0000533800000000, -0.0001999500000000 ] - [ -0.0002907700000000, -0.0002279500000000, 0.0001167000000000 ] - [ -0.0000151700000000, -0.0001819000000000, -0.0006765300000000 ] - [ 0.0377811300000000, 0.0192428300000000, -0.0303606100000000 ] - [ -0.0000856900000000, -0.0002107400000000, 0.0000340900000000 ] - [ -0.0016473000000000, -0.0008461000000000, 0.0000225700000000 ] - [ 0.0002716200000000, 0.0001270700000000, -0.0001043500000000 ] - [ -0.0018415900000000, -0.0019776200000000, 0.0007102500000000 ] - [ -0.0014668800000000, 0.0009427500000000, -0.0016979400000000 ] - [ -0.0000078200000000, -0.0002803200000000, 0.0000068200000000 ] - [ -0.0001691100000000, 0.0000763700000000, 0.0001005200000000 ] - [ -0.0059831900000000, -0.0031063400000000, 0.0003984200000000 ] - [ -0.0000416800000000, 0.0001393100000000, -0.0005219800000000 ] - [ 0.0001028500000000, 0.0000867800000000, -0.0000300000000000 ] - [ -0.0008942000000000, -0.0003817500000000, 0.0009313800000000 ] - [ -0.0000522000000000, -0.0000084800000000, 0.0001972500000000 ] - [ 0.0000130200000000, 0.0000540500000000, -0.0000797700000000 ] - [ 0.0002699400000000, -0.0001275400000000, 0.0000806800000000 ] - [ -0.0000008900000000, -0.0000008400000000, 0.0000464700000000 ] - [ -0.0002395100000000, -0.0001628100000000, 0.0000855500000000 ] - [ 0.0002547600000000, 0.0002727300000000, 0.0001082200000000 ] - [ 0.0000034800000000, -0.0000034200000000, 0.0001022000000000 ] - [ -0.0000297800000000, 0.0002938900000000, 0.0000885000000000 ] - [ 0.0001054600000000, -0.0003567100000000, 0.0001049400000000 ] - [ 0.0000149800000000, 0.0000506800000000, 0.0001948200000000 ] - [ 0.0000455800000000, -0.0000410300000000, -0.0000806300000000 ] - [ -0.0000517300000000, -0.0000197100000000, -0.0000802500000000 ] - [ 0.0000343000000000, -0.0000393900000000, 0.0001951000000000 ] - [ -0.0003616200000000, 0.0000886800000000, 0.0001065400000000 ] - [ -0.0000998700000000, 0.0000177700000000, 0.0002915200000000 ] - [ 0.0000132500000000, 0.0000535500000000, -0.0001164800000000 ] - [ 0.0002728200000000, -0.0001208900000000, 0.0000622700000000 ] - [ -0.0000767500000000, -0.0000060000000000, 0.0000447500000000 ] - [ -0.0002379700000000, -0.0001768500000000, 0.0000596500000000 ] - [ 0.0002515800000000, 0.0001817600000000, 0.0000075500000000 ] - [ 0.0000038600000000, 0.0000006300000000, 0.0000213700000000 ] - [ -0.0000227900000000, 0.0002868200000000, 0.0000682600000000 ] - [ -0.0000510000000000, -0.0003566400000000, 0.0001761900000000 ] - [ 0.0000305200000000, 0.0000327600000000, 0.0002315000000000 ] - [ 0.0000443700000000, -0.0000407700000000, -0.0000888800000000 ] - [ -0.0000549600000000, -0.0000249000000000, -0.0001019100000000 ] - [ 0.0001171800000000, 0.0000699300000000, 0.0002080600000000 ] - [ -0.0003428300000000, 0.0000842600000000, 0.0000682900000000 ]- atom: 63 displacement: [ -0.0050000000079449, 0.0086602540332574, 0.0000000000000000 ] forces: - [ 0.0000565400000000, 0.0003056800000000, -0.0000628000000000 ] - [ 0.0000115400000000, -0.0003327400000000, -0.0000276900000000 ] - [ -0.0003166000000000, 0.0001573400000000, -0.0000668600000000 ] - [ -0.0035132100000000, -0.0007622300000000, 0.0039656100000000 ] - [ 0.0002624800000000, 0.0001221200000000, -0.0000720100000000 ] - [ 0.0000411200000000, -0.0005885800000000, -0.0006618200000000 ] - [ 0.0003252700000000, -0.0001284800000000, 0.0001306800000000 ] - [ 0.0000078400000000, -0.0002816600000000, 0.0000221400000000 ] - [ -0.0003046600000000, 0.0001357800000000, -0.0000118700000000 ] - [ -0.0000059000000000, 0.0002812200000000, 0.0000644300000000 ] - [ 0.0002495400000000, 0.0001558000000000, 0.0000153600000000 ] - [ -0.0002666900000000, -0.0001944800000000, 0.0001059500000000 ] - [ 0.0003216200000000, -0.0001426000000000, 0.0001107300000000 ] - [ -0.0000885300000000, -0.0003682800000000, 0.0000898100000000 ] - [ -0.0000579200000000, 0.0005493500000000, 0.0005058200000000 ] - [ -0.0000117800000000, 0.0002890500000000, 0.0000790800000000 ] - [ -0.0000042400000000, -0.0000267700000000, 0.0000475900000000 ] - [ -0.0002569200000000, -0.0001731500000000, 0.0000842900000000 ] - [ -0.0000186700000000, -0.0002803600000000, 0.0009901800000000 ] - [ 0.0010174000000000, -0.0012365200000000, 0.0000301600000000 ] - [ 0.0001451400000000, -0.0000188300000000, 0.0001119700000000 ] - [ -0.0007192400000000, -0.0000875600000000, 0.0008312100000000 ] - [ -0.0000821800000000, 0.0002432300000000, 0.0000009100000000 ] - [ -0.0004562900000000, 0.0001493200000000, -0.0004073400000000 ] - [ 0.0004939200000000, 0.0003222300000000, -0.0003913000000000 ] - [ 0.0000225400000000, 0.0000080600000000, 0.0000663400000000 ] - [ 0.0001459600000000, -0.0002697600000000, -0.0007760100000000 ] - [ -0.0001088600000000, -0.0001316600000000, 0.0001442500000000 ] - [ 0.0019580000000000, 0.0083049700000000, -0.0043722700000000 ] - [ -0.0000717000000000, 0.0001628300000000, 0.0001420900000000 ] - [ -0.0004450900000000, -0.0006900900000000, 0.0007092500000000 ] - [ -0.0000089900000000, -0.0002451100000000, 0.0000985700000000 ] - [ 0.0001165600000000, 0.0001160900000000, -0.0001752800000000 ] - [ 0.0003425600000000, -0.0001216800000000, 0.0002639000000000 ] - [ 0.0001541100000000, -0.0000437000000000, 0.0001299900000000 ] - [ -0.0002938200000000, -0.0002606700000000, 0.0002779300000000 ] - [ 0.0000646400000000, -0.0001782000000000, -0.0001494000000000 ] - [ -0.0003757400000000, 0.0001203600000000, -0.0003404700000000 ] - [ 0.0003082900000000, 0.0002858600000000, -0.0003510000000000 ] - [ -0.0000143200000000, 0.0000066100000000, 0.0000130200000000 ] - [ 0.0000966200000000, -0.0004159400000000, -0.0003533800000000 ] - [ -0.0001125700000000, -0.0001221700000000, 0.0001617700000000 ] - [ -0.0000997700000000, 0.0004234800000000, 0.0002972200000000 ] - [ -0.0000575400000000, 0.0001773200000000, 0.0001422000000000 ] - [ 0.0000148800000000, -0.0000165600000000, -0.0000332800000000 ] - [ -0.0001645200000000, 0.0000575400000000, -0.0001438000000000 ] - [ 0.0001143900000000, 0.0001234300000000, -0.0001756400000000 ] - [ 0.0003572900000000, -0.0001246500000000, 0.0002912600000000 ] - [ 0.0001659500000000, 0.0002620400000000, 0.0003048400000000 ] - [ -0.0002962800000000, -0.0002708000000000, 0.0002861400000000 ] - [ 0.0000626500000000, -0.0001796800000000, -0.0001562100000000 ] - [ -0.0005311900000000, 0.0001113300000000, -0.0006466000000000 ] - [ 0.0004037100000000, 0.0004560300000000, -0.0003846600000000 ] - [ -0.0000145700000000, -0.0000347600000000, 0.0000647000000000 ] - [ 0.0000767700000000, -0.0003480900000000, -0.0002689600000000 ] - [ -0.0001437900000000, -0.0001833200000000, 0.0002992000000000 ] - [ -0.0000987700000000, 0.0004071100000000, 0.0002992900000000 ] - [ -0.0000558600000000, 0.0001476400000000, 0.0002137400000000 ] - [ 0.0000149000000000, -0.0000094400000000, -0.0000261400000000 ] - [ -0.0001592100000000, 0.0000500700000000, -0.0001488300000000 ] - [ -0.0000141300000000, 0.0002935100000000, 0.0006637900000000 ] - [ -0.0001635900000000, 0.0012924800000000, -0.0001280300000000 ] - [ 0.0022546600000000, -0.0097518900000000, -0.0012003500000000 ] - [ 0.0000494600000000, 0.0000566200000000, -0.0000243200000000 ] - [ -0.0004831500000000, 0.0001264600000000, 0.0004051700000000 ] - [ 0.0002565200000000, 0.0001981000000000, 0.0000580200000000 ] - [ 0.0016164300000000, 0.0022882800000000, -0.0012874000000000 ] - [ -0.0012154400000000, 0.0012564400000000, -0.0009030300000000 ] - [ 0.0000571000000000, -0.0003327100000000, 0.0000064000000000 ] - [ -0.0000600300000000, -0.0000028100000000, 0.0002128000000000 ] - [ -0.0003327600000000, -0.0013416500000000, 0.0008290100000000 ] - [ -0.0000835500000000, 0.0000329900000000, -0.0004104100000000 ] - [ 0.0000984200000000, 0.0000106700000000, 0.0002158000000000 ] - [ -0.0001677500000000, 0.0002729900000000, -0.0001702800000000 ] - [ -0.0000308900000000, -0.0000433500000000, 0.0001112100000000 ] - [ 0.0000257700000000, 0.0000468500000000, -0.0001090200000000 ] - [ 0.0002975200000000, -0.0001144800000000, 0.0000471600000000 ] - [ -0.0000005900000000, -0.0000048100000000, -0.0000049900000000 ] - [ -0.0002441600000000, -0.0001994000000000, 0.0000470200000000 ] - [ 0.0002478000000000, 0.0002170800000000, 0.0000153300000000 ] - [ 0.0000023800000000, 0.0000027100000000, 0.0000497900000000 ] - [ -0.0000459000000000, 0.0003138600000000, 0.0000500400000000 ] - [ 0.0000583700000000, -0.0003215600000000, 0.0000106200000000 ] - [ -0.0000248400000000, 0.0000476300000000, 0.0001089900000000 ] - [ 0.0000300900000000, -0.0000451300000000, -0.0001072900000000 ] - [ -0.0000510000000000, -0.0000025800000000, -0.0001110700000000 ] - [ 0.0000567300000000, -0.0000053400000000, 0.0001173900000000 ] - [ -0.0003077000000000, 0.0001069000000000, 0.0000099900000000 ] - [ -0.0000541400000000, -0.0000599400000000, 0.0001823500000000 ] - [ 0.0000235200000000, 0.0000418600000000, -0.0001169400000000 ] - [ 0.0003030100000000, -0.0001081300000000, 0.0000232400000000 ] - [ 0.0000161400000000, -0.0000218200000000, 0.0000540600000000 ] - [ -0.0002470900000000, -0.0002030200000000, 0.0000220200000000 ] - [ 0.0002538800000000, 0.0003037800000000, 0.0000254300000000 ] - [ 0.0000006700000000, 0.0000046800000000, -0.0000325100000000 ] - [ -0.0000501600000000, 0.0003156600000000, 0.0000270700000000 ] - [ 0.0000506700000000, -0.0003225900000000, 0.0000190800000000 ] - [ -0.0000136700000000, 0.0000505600000000, 0.0001162000000000 ] - [ 0.0000272200000000, -0.0000455800000000, -0.0001316000000000 ] - [ -0.0000565700000000, -0.0000001600000000, -0.0001463200000000 ] - [ 0.0000347600000000, -0.0001220300000000, 0.0002756500000000 ] - [ -0.0003107700000000, 0.0001054200000000, -0.0000080600000000 ]- atom: 63 displacement: [ 0.0050000000079449, -0.0086602540332574, 0.0000000000000000 ] forces: - [ 0.0005207200000000, -0.0005933400000000, 0.0000920900000000 ] - [ 0.0000255100000000, -0.0002957400000000, -0.0001371800000000 ] - [ -0.0002794800000000, 0.0001231500000000, -0.0001020600000000 ] - [ 0.0034641200000000, 0.0014257600000000, -0.0038929300000000 ] - [ 0.0002476400000000, 0.0002433800000000, -0.0000946600000000 ] - [ -0.0005562800000000, 0.0002506200000000, 0.0007033600000000 ] - [ 0.0002801200000000, -0.0001461400000000, 0.0000334200000000 ] - [ 0.0000441100000000, -0.0003630400000000, -0.0000757600000000 ] - [ -0.0003080900000000, 0.0001480900000000, -0.0000591200000000 ] - [ -0.0000511900000000, 0.0003540800000000, 0.0000719600000000 ] - [ 0.0002890900000000, 0.0002071300000000, -0.0000633100000000 ] - [ -0.0002757800000000, -0.0001798400000000, 0.0000424000000000 ] - [ 0.0003074700000000, -0.0001353200000000, 0.0000714500000000 ] - [ 0.0001588000000000, -0.0002912500000000, -0.0002700100000000 ] - [ -0.0005066300000000, -0.0002737800000000, -0.0006751800000000 ] - [ -0.0000409700000000, 0.0003577800000000, 0.0000858300000000 ] - [ 0.0005240300000000, 0.0003924000000000, -0.0002072700000000 ] - [ -0.0002776800000000, -0.0002022900000000, 0.0000807500000000 ] - [ 0.0003505000000000, 0.0005210400000000, -0.0013429900000000 ] - [ -0.0003026900000000, 0.0009995100000000, 0.0005190200000000 ] - [ 0.0002163100000000, -0.0001710300000000, 0.0002144900000000 ] - [ 0.0001357900000000, -0.0004344100000000, -0.0002713600000000 ] - [ 0.0000964600000000, -0.0006617600000000, -0.0003374600000000 ] - [ -0.0002523700000000, 0.0000989900000000, -0.0001236400000000 ] - [ 0.0000937400000000, 0.0001746700000000, -0.0001438700000000 ] - [ -0.0000341800000000, -0.0000064700000000, 0.0001466700000000 ] - [ 0.0000010600000000, -0.0004937300000000, 0.0002375400000000 ] - [ -0.0002339000000000, -0.0000961800000000, 0.0001939700000000 ] - [ -0.0021623900000000, -0.0076743200000000, 0.0050040200000000 ] - [ 0.0000444800000000, 0.0002662200000000, 0.0001886500000000 ] - [ 0.0004791000000000, 0.0006956000000000, -0.0009208900000000 ] - [ -0.0003541700000000, 0.0004336100000000, -0.0004625100000000 ] - [ 0.0002350000000000, 0.0001096700000000, -0.0001726800000000 ] - [ 0.0003354900000000, -0.0001275100000000, 0.0002823800000000 ] - [ 0.0002073800000000, -0.0001551400000000, 0.0002093500000000 ] - [ -0.0002740700000000, -0.0002165600000000, 0.0002676400000000 ] - [ -0.0000380300000000, -0.0002412000000000, -0.0001801200000000 ] - [ -0.0003135400000000, 0.0001252500000000, -0.0002059100000000 ] - [ 0.0002638000000000, 0.0002059300000000, -0.0002034900000000 ] - [ 0.0000038000000000, -0.0000040600000000, 0.0001975900000000 ] - [ 0.0000458000000000, -0.0003288900000000, -0.0002019200000000 ] - [ -0.0002397500000000, -0.0001016800000000, 0.0001979800000000 ] - [ -0.0000467400000000, 0.0003301500000000, 0.0002584800000000 ] - [ 0.0000354100000000, 0.0002522800000000, 0.0001996000000000 ] - [ -0.0000106300000000, 0.0000126200000000, -0.0001916900000000 ] - [ -0.0002059200000000, 0.0001361900000000, -0.0001868000000000 ] - [ 0.0002418000000000, 0.0001050700000000, -0.0001918800000000 ] - [ 0.0003245500000000, -0.0001249300000000, 0.0002615100000000 ] - [ 0.0002023700000000, -0.0004579000000000, 0.0000642400000000 ] - [ -0.0002734800000000, -0.0002115400000000, 0.0002733700000000 ] - [ -0.0000370700000000, -0.0002581900000000, -0.0001970500000000 ] - [ -0.0001764900000000, 0.0001387800000000, 0.0000955600000000 ] - [ 0.0001719800000000, 0.0000327300000000, -0.0001693800000000 ] - [ 0.0000185200000000, 0.0000144900000000, 0.0001746300000000 ] - [ 0.0000386500000000, -0.0003401500000000, -0.0002769200000000 ] - [ -0.0002298000000000, -0.0000587300000000, 0.0000592700000000 ] - [ -0.0000434800000000, 0.0003366500000000, 0.0002654200000000 ] - [ 0.0000517700000000, 0.0002830300000000, 0.0001341500000000 ] - [ -0.0000047100000000, 0.0000058900000000, -0.0001856900000000 ] - [ -0.0002086700000000, 0.0001526100000000, -0.0002022100000000 ] - [ -0.0000185800000000, -0.0003906300000000, -0.0004240000000000 ] - [ 0.0001906100000000, -0.0012028100000000, -0.0000657200000000 ] - [ -0.0014958200000000, 0.0096333200000000, 0.0011000000000000 ] - [ -0.0000461600000000, -0.0000607900000000, -0.0000949400000000 ] - [ -0.0000222800000000, -0.0005434400000000, -0.0004231200000000 ] - [ 0.0002388900000000, 0.0002252800000000, -0.0001142100000000 ] - [ -0.0016339700000000, -0.0022986800000000, 0.0013570300000000 ] - [ 0.0010655600000000, -0.0005863800000000, 0.0008753700000000 ] - [ 0.0000508500000000, -0.0003032200000000, -0.0000688300000000 ] - [ -0.0000048600000000, 0.0000865600000000, 0.0000206600000000 ] - [ 0.0003824700000000, 0.0012468500000000, -0.0010331500000000 ] - [ -0.0000314300000000, -0.0000474800000000, 0.0002021400000000 ] - [ 0.0000055100000000, 0.0000034400000000, 0.0000222100000000 ] - [ -0.0004453000000000, -0.0000557200000000, 0.0001181500000000 ] - [ -0.0000143400000000, -0.0000600400000000, 0.0000960700000000 ] - [ 0.0000159000000000, 0.0000405600000000, -0.0001315300000000 ] - [ 0.0003225000000000, -0.0001041100000000, 0.0000031300000000 ] - [ -0.0000000400000000, -0.0000014700000000, -0.0000508200000000 ] - [ -0.0002430300000000, -0.0002295800000000, 0.0000046100000000 ] - [ 0.0002459100000000, 0.0002029000000000, 0.0000099300000000 ] - [ 0.0000003000000000, -0.0000029600000000, 0.0000635900000000 ] - [ -0.0000706200000000, 0.0003238900000000, 0.0000080300000000 ] - [ 0.0000545600000000, -0.0003166100000000, 0.0000104400000000 ] - [ -0.0000446800000000, 0.0000423200000000, 0.0000985100000000 ] - [ 0.0000318400000000, -0.0000393100000000, -0.0001325700000000 ] - [ -0.0000413300000000, -0.0000055000000000, -0.0001322800000000 ] - [ 0.0000585400000000, 0.0000168300000000, 0.0000967200000000 ] - [ -0.0003007900000000, 0.0001116800000000, 0.0000114300000000 ] - [ 0.0000179800000000, -0.0000327800000000, 0.0001057100000000 ] - [ 0.0000208500000000, 0.0000433400000000, -0.0001766800000000 ] - [ 0.0003172000000000, -0.0001018800000000, -0.0000156400000000 ] - [ -0.0000142100000000, 0.0000100600000000, 0.0000031600000000 ] - [ -0.0002439100000000, -0.0002256700000000, -0.0000145300000000 ] - [ 0.0002355900000000, 0.0001216700000000, -0.0000319500000000 ] - [ -0.0000006900000000, -0.0000021800000000, -0.0000197800000000 ] - [ -0.0000714600000000, 0.0003221700000000, -0.0000158000000000 ] - [ 0.0000657300000000, -0.0003156600000000, -0.0000302700000000 ] - [ -0.0000372800000000, 0.0000245900000000, 0.0001792800000000 ] - [ 0.0000296000000000, -0.0000338600000000, -0.0001608200000000 ] - [ -0.0000428800000000, -0.0000085700000000, -0.0001536200000000 ] - [ 0.0000651500000000, 0.0001311700000000, 0.0000202200000000 ] - [ -0.0003090500000000, 0.0000944400000000, 0.0000029600000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004580400000000, -0.0000776900000000, -0.0009396000000000 ] - [ 0.0000706800000000, -0.0000766000000000, 0.0000098900000000 ] - [ -0.0005626300000000, 0.0001919300000000, -0.0000746900000000 ] - [ -0.0012621000000000, 0.0048230800000000, 0.0064042800000000 ] - [ 0.0002629400000000, 0.0000208100000000, -0.0000098500000000 ] - [ -0.0001062800000000, 0.0001030000000000, 0.0001765600000000 ] - [ 0.0005158200000000, -0.0001950600000000, 0.0003485900000000 ] - [ 0.0000373300000000, -0.0003473400000000, 0.0000490800000000 ] - [ -0.0003225100000000, 0.0001373200000000, 0.0000545900000000 ] - [ -0.0001030500000000, 0.0004406300000000, 0.0003236900000000 ] - [ 0.0002781300000000, 0.0002024000000000, 0.0000556300000000 ] - [ -0.0004146200000000, -0.0003124600000000, 0.0002927800000000 ] - [ 0.0004895600000000, -0.0001786400000000, 0.0003384100000000 ] - [ -0.0001169100000000, -0.0003221900000000, -0.0000985100000000 ] - [ 0.0000371500000000, 0.0010101600000000, -0.0000704900000000 ] - [ -0.0000816100000000, 0.0005059700000000, 0.0003458700000000 ] - [ -0.0001545200000000, 0.0003532400000000, -0.0000140500000000 ] - [ -0.0003987100000000, -0.0003251300000000, 0.0003413900000000 ] - [ -0.0017802200000000, 0.0011934800000000, 0.0036969600000000 ] - [ -0.0001943400000000, 0.0019007500000000, 0.0033596300000000 ] - [ 0.0001787300000000, -0.0000483500000000, 0.0000611500000000 ] - [ 0.0009095500000000, -0.0006708800000000, 0.0034608400000000 ] - [ 0.0003019700000000, -0.0007512200000000, 0.0001119800000000 ] - [ -0.0004794300000000, 0.0002210000000000, -0.0000497400000000 ] - [ 0.0014636300000000, 0.0003237100000000, -0.0003959200000000 ] - [ 0.0002724900000000, 0.0000571000000000, -0.0002688300000000 ] - [ 0.0010019000000000, -0.0005479600000000, -0.0002923900000000 ] - [ -0.0002060300000000, -0.0000790500000000, 0.0000414200000000 ] - [ -0.0227146200000000, -0.0197513200000000, 0.0299372300000000 ] - [ -0.0000364800000000, 0.0001758400000000, 0.0000896300000000 ] - [ -0.0003143900000000, 0.0003976000000000, -0.0000784400000000 ] - [ -0.0002446300000000, 0.0000420600000000, -0.0000170800000000 ] - [ 0.0001330100000000, 0.0001231400000000, -0.0002380800000000 ] - [ 0.0002678600000000, -0.0001168900000000, -0.0000600700000000 ] - [ 0.0001792000000000, -0.0000927900000000, 0.0000884200000000 ] - [ -0.0002623600000000, -0.0002179500000000, -0.0000387900000000 ] - [ 0.0000391700000000, -0.0002105900000000, -0.0002672000000000 ] - [ -0.0003948800000000, 0.0001205400000000, -0.0006145700000000 ] - [ 0.0003102700000000, 0.0002907400000000, -0.0006159200000000 ] - [ -0.0000020700000000, -0.0000015400000000, 0.0000363000000000 ] - [ 0.0000972900000000, -0.0004169000000000, -0.0006137600000000 ] - [ -0.0001700200000000, -0.0001110800000000, 0.0000907900000000 ] - [ -0.0000637300000000, 0.0003609300000000, -0.0000355800000000 ] - [ -0.0000083500000000, 0.0002067700000000, 0.0000893300000000 ] - [ 0.0000180600000000, -0.0000062400000000, -0.0001304000000000 ] - [ -0.0001649100000000, 0.0000550400000000, -0.0002177000000000 ] - [ 0.0001473900000000, 0.0001196300000000, -0.0002512700000000 ] - [ 0.0002954700000000, -0.0001179200000000, -0.0000356400000000 ] - [ -0.0000693500000000, -0.0000268300000000, -0.0000474600000000 ] - [ -0.0002578400000000, -0.0002049800000000, -0.0000476400000000 ] - [ 0.0000325700000000, -0.0001915200000000, -0.0002499800000000 ] - [ -0.0007458900000000, 0.0001037100000000, -0.0008320500000000 ] - [ 0.0005055600000000, 0.0003769000000000, -0.0006196200000000 ] - [ -0.0000118100000000, -0.0001278800000000, 0.0000146900000000 ] - [ 0.0000716400000000, -0.0003267900000000, -0.0004675900000000 ] - [ -0.0001851000000000, -0.0002126500000000, 0.0001679800000000 ] - [ -0.0000666400000000, 0.0003328400000000, -0.0000410800000000 ] - [ -0.0001044400000000, 0.0000904900000000, 0.0000058900000000 ] - [ -0.0000000300000000, 0.0000013700000000, -0.0001261000000000 ] - [ -0.0001764200000000, 0.0000660900000000, -0.0002500000000000 ] - [ -0.0010094500000000, 0.0004225700000000, 0.0011661400000000 ] - [ 0.0002864000000000, -0.0002350300000000, -0.0011111000000000 ] - [ 0.0306093200000000, 0.0160669200000000, -0.0402406800000000 ] - [ -0.0001059800000000, -0.0002787200000000, 0.0001432000000000 ] - [ -0.0011561700000000, -0.0016220100000000, -0.0014886000000000 ] - [ 0.0003055700000000, 0.0002205000000000, -0.0001659100000000 ] - [ -0.0026392700000000, -0.0035253000000000, 0.0011377100000000 ] - [ -0.0004130000000000, 0.0000710900000000, -0.0014764800000000 ] - [ -0.0001342200000000, -0.0003333300000000, -0.0001702900000000 ] - [ -0.0000183200000000, 0.0001908900000000, -0.0000132700000000 ] - [ 0.0002786500000000, 0.0014582200000000, -0.0033936600000000 ] - [ 0.0000444000000000, -0.0000336800000000, -0.0007932800000000 ] - [ 0.0000462500000000, -0.0000314700000000, -0.0000103500000000 ] - [ -0.0012680200000000, -0.0005899000000000, 0.0012764100000000 ] - [ -0.0000628600000000, -0.0000113300000000, 0.0002432500000000 ] - [ 0.0000071400000000, 0.0000870400000000, -0.0000558400000000 ] - [ 0.0002474700000000, -0.0001495100000000, 0.0001081600000000 ] - [ -0.0000022900000000, -0.0000012600000000, 0.0000655500000000 ] - [ -0.0002409900000000, -0.0001431200000000, 0.0001106100000000 ] - [ 0.0002634300000000, 0.0003040100000000, 0.0001716600000000 ] - [ 0.0000072500000000, 0.0000002500000000, 0.0001510900000000 ] - [ 0.0000001700000000, 0.0002869200000000, 0.0001109400000000 ] - [ 0.0001271900000000, -0.0003822500000000, 0.0001680700000000 ] - [ 0.0000227600000000, 0.0000595400000000, 0.0002436300000000 ] - [ 0.0000746800000000, -0.0000503200000000, -0.0000557300000000 ] - [ -0.0000718000000000, -0.0000383400000000, -0.0000547300000000 ] - [ 0.0000366500000000, -0.0000522000000000, 0.0002444500000000 ] - [ -0.0003945500000000, 0.0000811600000000, 0.0001707100000000 ] - [ -0.0001042200000000, -0.0000065200000000, 0.0003163000000000 ] - [ 0.0000043600000000, 0.0000816000000000, -0.0000673300000000 ] - [ 0.0002522100000000, -0.0001403900000000, 0.0000835000000000 ] - [ -0.0000562300000000, -0.0000314900000000, 0.0000803200000000 ] - [ -0.0002407200000000, -0.0001459400000000, 0.0000874300000000 ] - [ 0.0002916700000000, 0.0003938400000000, 0.0001923100000000 ] - [ 0.0000046900000000, 0.0000013700000000, 0.0000668900000000 ] - [ 0.0000015400000000, 0.0002802800000000, 0.0000898600000000 ] - [ 0.0000189200000000, -0.0003595700000000, 0.0001931900000000 ] - [ -0.0000055500000000, 0.0000247200000000, 0.0002531100000000 ] - [ 0.0000752000000000, -0.0000501700000000, -0.0000772600000000 ] - [ -0.0000750700000000, -0.0000426400000000, -0.0000865500000000 ] - [ 0.0000821300000000, -0.0001320300000000, 0.0003907500000000 ] - [ -0.0003717300000000, 0.0000737800000000, 0.0001129300000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010475900000000, -0.0002164700000000, 0.0010034500000000 ] - [ -0.0000286800000000, -0.0005443400000000, -0.0001798800000000 ] - [ -0.0000691400000000, 0.0000904500000000, -0.0001287100000000 ] - [ 0.0012065300000000, -0.0041154000000000, -0.0063686100000000 ] - [ 0.0002777100000000, 0.0003449600000000, -0.0001818500000000 ] - [ -0.0004224600000000, -0.0004596900000000, -0.0001289000000000 ] - [ 0.0001347200000000, -0.0000989100000000, -0.0001535000000000 ] - [ 0.0000142000000000, -0.0003210600000000, -0.0001281600000000 ] - [ -0.0003024100000000, 0.0001531200000000, -0.0001428800000000 ] - [ 0.0000576100000000, 0.0002004900000000, -0.0001635200000000 ] - [ 0.0002746400000000, 0.0001773700000000, -0.0001320400000000 ] - [ -0.0001332900000000, -0.0000820100000000, -0.0001164300000000 ] - [ 0.0001501200000000, -0.0001087600000000, -0.0001336600000000 ] - [ 0.0001875100000000, -0.0003750500000000, -0.0001043000000000 ] - [ -0.0006208700000000, -0.0007546600000000, -0.0001117400000000 ] - [ 0.0000244500000000, 0.0001610700000000, -0.0001526300000000 ] - [ 0.0006975000000000, 0.0000192700000000, -0.0001882700000000 ] - [ -0.0001567300000000, -0.0000688100000000, -0.0001425600000000 ] - [ 0.0021798100000000, -0.0010257700000000, -0.0041669200000000 ] - [ 0.0009070600000000, -0.0021490800000000, -0.0028349500000000 ] - [ 0.0001913800000000, -0.0001756700000000, 0.0002662200000000 ] - [ -0.0015037500000000, 0.0001586800000000, -0.0029336300000000 ] - [ -0.0003054200000000, 0.0003186800000000, -0.0004582700000000 ] - [ -0.0002094600000000, 0.0000300100000000, -0.0004574800000000 ] - [ -0.0008643000000000, 0.0001743200000000, -0.0001100700000000 ] - [ -0.0002860800000000, -0.0000425500000000, 0.0005179500000000 ] - [ -0.0008510700000000, -0.0002183300000000, -0.0002207600000000 ] - [ -0.0001718700000000, -0.0001337800000000, 0.0003222000000000 ] - [ 0.0235040000000000, 0.0210883600000000, -0.0300977600000000 ] - [ 0.0000209600000000, 0.0002856100000000, 0.0002552600000000 ] - [ 0.0003210100000000, -0.0003878500000000, -0.0001374000000000 ] - [ -0.0001282700000000, 0.0001753100000000, -0.0003662200000000 ] - [ 0.0002372700000000, 0.0000918400000000, -0.0001269600000000 ] - [ 0.0003816200000000, -0.0001345100000000, 0.0005822900000000 ] - [ 0.0001979600000000, -0.0001383100000000, 0.0002663000000000 ] - [ -0.0002959600000000, -0.0002470700000000, 0.0005640200000000 ] - [ -0.0000190600000000, -0.0002398200000000, -0.0000783700000000 ] - [ -0.0002810800000000, 0.0001257400000000, 0.0000843700000000 ] - [ 0.0002537200000000, 0.0001903100000000, 0.0000811200000000 ] - [ -0.0000071800000000, 0.0000021900000000, 0.0002130600000000 ] - [ 0.0000365800000000, -0.0003198100000000, 0.0000791500000000 ] - [ -0.0002159800000000, -0.0001060700000000, 0.0002767500000000 ] - [ -0.0000827300000000, 0.0003923900000000, 0.0005768900000000 ] - [ 0.0000110100000000, 0.0002480000000000, 0.0002677800000000 ] - [ -0.0000043000000000, -0.0000070900000000, -0.0001184600000000 ] - [ -0.0002119300000000, 0.0001724800000000, -0.0001133100000000 ] - [ 0.0002437000000000, 0.0001005000000000, -0.0001282000000000 ] - [ 0.0003709800000000, -0.0001311600000000, 0.0005670700000000 ] - [ 0.0004477100000000, -0.0001889800000000, 0.0004295600000000 ] - [ -0.0002996200000000, -0.0002612500000000, 0.0005795300000000 ] - [ -0.0000299800000000, -0.0002671800000000, -0.0001180300000000 ] - [ 0.0000511300000000, 0.0001452500000000, 0.0002838700000000 ] - [ 0.0000626500000000, 0.0001015200000000, 0.0000773100000000 ] - [ 0.0000178600000000, 0.0001082200000000, 0.0002462500000000 ] - [ 0.0000381200000000, -0.0003531300000000, -0.0000696200000000 ] - [ -0.0002123000000000, -0.0000281000000000, 0.0001968500000000 ] - [ -0.0000708700000000, 0.0003997700000000, 0.0005821800000000 ] - [ 0.0001228000000000, 0.0003592900000000, 0.0003538100000000 ] - [ 0.0000065300000000, -0.0000027800000000, -0.0001240600000000 ] - [ -0.0002077300000000, 0.0001649800000000, -0.0001166200000000 ] - [ 0.0009402600000000, -0.0005145100000000, -0.0008671600000000 ] - [ -0.0002217300000000, 0.0003582800000000, 0.0008585300000000 ] - [ -0.0309672600000000, -0.0168105000000000, 0.0409910000000000 ] - [ 0.0001017600000000, 0.0002717300000000, -0.0002659000000000 ] - [ 0.0006562500000000, 0.0011988000000000, 0.0014138900000000 ] - [ 0.0002048100000000, 0.0002069800000000, 0.0001537400000000 ] - [ 0.0026529100000000, 0.0035629700000000, -0.0010828000000000 ] - [ 0.0003222400000000, 0.0005694900000000, 0.0014270200000000 ] - [ 0.0002373600000000, -0.0003207400000000, 0.0001508600000000 ] - [ -0.0000408500000000, -0.0000908800000000, 0.0002878000000000 ] - [ -0.0002325300000000, -0.0015949400000000, 0.0031667500000000 ] - [ -0.0001735600000000, 0.0000319300000000, 0.0005460800000000 ] - [ 0.0000685900000000, 0.0000310900000000, 0.0002939200000000 ] - [ 0.0006328200000000, 0.0008059400000000, -0.0012616600000000 ] - [ 0.0000001500000000, -0.0000971600000000, 0.0000103300000000 ] - [ 0.0000547300000000, 0.0000037000000000, -0.0002316300000000 ] - [ 0.0003849300000000, -0.0000776000000000, -0.0001032100000000 ] - [ -0.0000002500000000, -0.0000008400000000, -0.0001321700000000 ] - [ -0.0002635900000000, -0.0002904700000000, -0.0001042200000000 ] - [ 0.0002406000000000, 0.0001216400000000, -0.0001020200000000 ] - [ -0.0000009900000000, 0.0000017300000000, -0.0000291000000000 ] - [ -0.0001181600000000, 0.0003692900000000, -0.0001021400000000 ] - [ -0.0000150600000000, -0.0002702400000000, -0.0001027600000000 ] - [ -0.0000851700000000, 0.0000487400000000, 0.0000114800000000 ] - [ -0.0000207300000000, -0.0000497100000000, -0.0002320300000000 ] - [ -0.0000327500000000, 0.0000453900000000, -0.0002351600000000 ] - [ 0.0000848700000000, 0.0000491000000000, 0.0000122400000000 ] - [ -0.0002262500000000, 0.0001481400000000, -0.0001026800000000 ] - [ 0.0000455000000000, -0.0000862400000000, 0.0000238700000000 ] - [ 0.0000551100000000, 0.0000063300000000, -0.0002728900000000 ] - [ 0.0003819800000000, -0.0000811800000000, -0.0001253500000000 ] - [ 0.0000528100000000, 0.0000209500000000, -0.0000291000000000 ] - [ -0.0002611000000000, -0.0002920700000000, -0.0001236900000000 ] - [ 0.0002109100000000, 0.0000418600000000, -0.0001525500000000 ] - [ -0.0000012800000000, 0.0000018000000000, -0.0001099700000000 ] - [ -0.0001239800000000, 0.0003752900000000, -0.0001259900000000 ] - [ 0.0001025900000000, -0.0003011200000000, -0.0001513500000000 ] - [ -0.0000399600000000, 0.0000671100000000, 0.0000915600000000 ] - [ -0.0000224300000000, -0.0000456100000000, -0.0002627100000000 ] - [ -0.0000308700000000, 0.0000499700000000, -0.0002547700000000 ] - [ 0.0000270600000000, 0.0001223600000000, -0.0000460700000000 ] - [ -0.0002636600000000, 0.0001365000000000, -0.0000685500000000 ]- atom: 64 displacement: [ 0.0100000000000000, 0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0002475100000000, -0.0001538800000000, 0.0000344600000000 ] - [ -0.0002348600000000, 0.0001270200000000, 0.0008891900000000 ] - [ 0.0029566400000000, 0.0007185700000000, 0.0018364300000000 ] - [ -0.0000250700000000, 0.0001880500000000, -0.0000594200000000 ] - [ 0.0014842000000000, 0.0035535600000000, -0.0027986100000000 ] - [ -0.0002695900000000, -0.0001453000000000, -0.0000351600000000 ] - [ 0.0004808300000000, 0.0002394600000000, 0.0003545900000000 ] - [ -0.0000008000000000, -0.0002551100000000, 0.0000263900000000 ] - [ -0.0002352500000000, 0.0001301700000000, 0.0000179800000000 ] - [ 0.0005146100000000, 0.0003174300000000, -0.0010413300000000 ] - [ 0.0002291600000000, 0.0001334300000000, 0.0000139500000000 ] - [ -0.0000967400000000, -0.0001429600000000, 0.0007672800000000 ] - [ 0.0002431200000000, -0.0001310700000000, 0.0000460300000000 ] - [ -0.0000058000000000, -0.0002689100000000, -0.0000364700000000 ] - [ -0.0002184000000000, 0.0001054400000000, -0.0000398200000000 ] - [ -0.0000000300000000, 0.0002549500000000, 0.0000330500000000 ] - [ 0.0002335100000000, 0.0001350200000000, -0.0000406400000000 ] - [ -0.0002247400000000, -0.0001378000000000, 0.0000410700000000 ] - [ 0.0002398200000000, 0.0001185900000000, -0.0001768100000000 ] - [ 0.0003496500000000, 0.0002274500000000, 0.0002649400000000 ] - [ -0.0001204500000000, -0.0016980400000000, 0.0000785900000000 ] - [ -0.0006212500000000, 0.0000588800000000, 0.0001025800000000 ] - [ -0.0000373300000000, -0.0002659900000000, -0.0001824100000000 ] - [ -0.0030609100000000, 0.0024452100000000, 0.0012865400000000 ] - [ -0.0023227000000000, -0.0052122900000000, -0.0009369700000000 ] - [ -0.0003505800000000, -0.0003046300000000, 0.0001782500000000 ] - [ 0.0041993300000000, -0.0016624700000000, -0.0011698300000000 ] - [ 0.0005742700000000, -0.0009088900000000, 0.0001922500000000 ] - [ -0.0001731400000000, 0.0003666700000000, 0.0003689000000000 ] - [ -0.0003954600000000, 0.0000851400000000, 0.0002815700000000 ] - [ 0.0000017300000000, 0.0000986400000000, -0.0001675100000000 ] - [ -0.0001823400000000, 0.0001289700000000, -0.0002177700000000 ] - [ 0.0009703000000000, -0.0004572500000000, -0.0006575400000000 ] - [ 0.0002789100000000, -0.0004465500000000, 0.0003442700000000 ] - [ 0.0002005800000000, -0.0001501000000000, 0.0001893000000000 ] - [ -0.0002067000000000, 0.0001797600000000, 0.0000318100000000 ] - [ 0.0011468000000000, 0.0000714500000000, 0.0005615300000000 ] - [ -0.0003217900000000, 0.0001307600000000, -0.0002469000000000 ] - [ 0.0002719300000000, 0.0002338100000000, -0.0002370800000000 ] - [ -0.0000061600000000, 0.0000025500000000, 0.0001734700000000 ] - [ 0.0000613400000000, -0.0003537000000000, -0.0002542300000000 ] - [ -0.0002302100000000, -0.0001034400000000, 0.0001998200000000 ] - [ -0.0006700100000000, 0.0004954300000000, 0.0003629600000000 ] - [ 0.0000228300000000, 0.0002565200000000, 0.0001933000000000 ] - [ -0.0000926600000000, -0.0000366000000000, -0.0001847800000000 ] - [ -0.0000104200000000, 0.0004365600000000, -0.0004499200000000 ] - [ 0.0002352600000000, 0.0001021300000000, -0.0002033000000000 ] - [ 0.0003192700000000, -0.0001243300000000, 0.0002444200000000 ] - [ 0.0002088700000000, -0.0001552100000000, 0.0002196900000000 ] - [ -0.0002707700000000, -0.0002204700000000, 0.0002457900000000 ] - [ -0.0000215200000000, -0.0002627600000000, -0.0001947200000000 ] - [ -0.0003286000000000, 0.0001262200000000, -0.0002469900000000 ] - [ 0.0002727800000000, 0.0002271300000000, -0.0002445600000000 ] - [ 0.0000007800000000, -0.0000043400000000, 0.0001870200000000 ] - [ 0.0000502700000000, -0.0003427900000000, -0.0002542600000000 ] - [ -0.0002327000000000, -0.0001076900000000, 0.0001905600000000 ] - [ -0.0000613000000000, 0.0003541800000000, 0.0002521800000000 ] - [ 0.0000296400000000, 0.0002620300000000, 0.0001891800000000 ] - [ 0.0000075800000000, -0.0000033100000000, -0.0001810900000000 ] - [ -0.0002070000000000, 0.0001568700000000, -0.0001943200000000 ] - [ 0.0001638400000000, 0.0005189200000000, 0.0007211500000000 ] - [ 0.0001088500000000, -0.0000039800000000, -0.0001607800000000 ] - [ 0.0003952100000000, -0.0000042300000000, -0.0001240400000000 ] - [ -0.0140790700000000, -0.0000274800000000, 0.0000351400000000 ] - [ -0.0002226400000000, -0.0003815100000000, -0.0002063200000000 ] - [ 0.0014156400000000, -0.0013822500000000, -0.0017540800000000 ] - [ 0.0001357400000000, 0.0000017100000000, 0.0000383900000000 ] - [ 0.0002480700000000, 0.0002360600000000, 0.0002668100000000 ] - [ 0.0054525800000000, -0.0002185300000000, 0.0043360200000000 ] - [ -0.0003787200000000, 0.0000253900000000, 0.0002594600000000 ] - [ 0.0000192400000000, -0.0000831800000000, -0.0000375800000000 ] - [ -0.0000569600000000, -0.0001503200000000, -0.0001201700000000 ] - [ 0.0004928800000000, -0.0001590000000000, -0.0006233200000000 ] - [ 0.0015340100000000, 0.0030562100000000, -0.0026648200000000 ] - [ -0.0000297800000000, -0.0000577800000000, 0.0000957800000000 ] - [ -0.0000173100000000, 0.0000551500000000, -0.0000179100000000 ] - [ 0.0003855100000000, -0.0000486500000000, -0.0000403500000000 ] - [ -0.0000000100000000, -0.0000030600000000, -0.0000363500000000 ] - [ -0.0002719200000000, -0.0001603200000000, 0.0000192000000000 ] - [ 0.0002481600000000, 0.0002049900000000, 0.0000216600000000 ] - [ -0.0000012900000000, 0.0000016900000000, 0.0000672900000000 ] - [ -0.0000271300000000, 0.0002940900000000, 0.0000602500000000 ] - [ 0.0000578500000000, -0.0003226300000000, 0.0000203800000000 ] - [ -0.0000419500000000, 0.0000482200000000, 0.0001209700000000 ] - [ 0.0001223500000000, -0.0000644600000000, -0.0001363600000000 ] - [ -0.0000051000000000, 0.0000967600000000, -0.0002227400000000 ] - [ 0.0000572500000000, 0.0000106700000000, 0.0001063800000000 ] - [ -0.0003078900000000, 0.0001122500000000, 0.0000243000000000 ] - [ -0.0000200000000000, -0.0000508700000000, 0.0001509700000000 ] - [ 0.0000216200000000, 0.0000477800000000, -0.0001528300000000 ] - [ 0.0003115600000000, -0.0001081400000000, -0.0000093800000000 ] - [ -0.0000002100000000, -0.0000007200000000, 0.0000190800000000 ] - [ -0.0002478400000000, -0.0002156000000000, -0.0000098500000000 ] - [ 0.0002484400000000, 0.0002133000000000, 0.0000100200000000 ] - [ 0.0000006800000000, 0.0000007500000000, -0.0000191100000000 ] - [ -0.0000606500000000, 0.0003220800000000, -0.0000083400000000 ] - [ 0.0000619100000000, -0.0003229300000000, 0.0000080600000000 ] - [ -0.0000294500000000, 0.0000434200000000, 0.0001562300000000 ] - [ 0.0000330800000000, -0.0000426100000000, -0.0001525900000000 ] - [ -0.0000528000000000, -0.0000056800000000, -0.0001533000000000 ] - [ 0.0000533100000000, 0.0000048800000000, 0.0001529300000000 ] - [ -0.0003133100000000, 0.0001074900000000, 0.0000128600000000 ]- atom: 64 displacement: [ -0.0100000000000000, -0.0000000000097931, 0.0000000000000000 ] forces: - [ 0.0002302600000000, -0.0001115600000000, -0.0000581400000000 ] - [ 0.0002557700000000, -0.0006769400000000, -0.0009737200000000 ] - [ -0.0033977700000000, -0.0004800500000000, -0.0019261000000000 ] - [ 0.0000129600000000, 0.0003465100000000, 0.0000296700000000 ] - [ -0.0010590400000000, -0.0033108300000000, 0.0027632800000000 ] - [ -0.0001891400000000, -0.0001350200000000, 0.0000066600000000 ] - [ -0.0000116800000000, -0.0005021100000000, -0.0002943000000000 ] - [ 0.0000142300000000, -0.0002837400000000, 0.0000022700000000 ] - [ -0.0002445100000000, 0.0001354300000000, 0.0000059800000000 ] - [ -0.0005434500000000, 0.0002283800000000, 0.0011101100000000 ] - [ 0.0002341700000000, 0.0001457800000000, 0.0000112500000000 ] - [ -0.0003685000000000, -0.0001488500000000, -0.0007004200000000 ] - [ 0.0002464500000000, -0.0001323400000000, 0.0000421700000000 ] - [ 0.0000180500000000, -0.0002521800000000, -0.0000309900000000 ] - [ -0.0002598100000000, 0.0001520800000000, -0.0000415200000000 ] - [ -0.0000139100000000, 0.0002827400000000, 0.0000481600000000 ] - [ 0.0002321600000000, 0.0001545000000000, -0.0000498900000000 ] - [ -0.0002381500000000, -0.0001551500000000, 0.0000493500000000 ] - [ 0.0002674200000000, 0.0000830900000000, -0.0002252100000000 ] - [ 0.0003016900000000, -0.0004813100000000, 0.0002072800000000 ] - [ 0.0005854200000000, 0.0013463900000000, 0.0002997400000000 ] - [ 0.0000745300000000, -0.0005094800000000, 0.0003752500000000 ] - [ -0.0000454800000000, -0.0002803000000000, -0.0002209000000000 ] - [ 0.0024767300000000, -0.0022236400000000, -0.0017807900000000 ] - [ 0.0027203100000000, 0.0057006400000000, 0.0004014200000000 ] - [ 0.0003501800000000, 0.0003121800000000, 0.0002341400000000 ] - [ -0.0040410900000000, 0.0010810100000000, 0.0006187000000000 ] - [ -0.0010929200000000, 0.0006996200000000, 0.0002018300000000 ] - [ 0.0000661100000000, 0.0003260200000000, 0.0001030700000000 ] - [ 0.0004655500000000, 0.0004760200000000, 0.0001107600000000 ] - [ 0.0000009000000000, -0.0000978900000000, -0.0002255400000000 ] - [ -0.0002435300000000, 0.0002160500000000, -0.0001823300000000 ] - [ -0.0004538900000000, 0.0006491500000000, 0.0002755000000000 ] - [ 0.0003629500000000, 0.0001903600000000, 0.0001290300000000 ] - [ 0.0002258700000000, -0.0001955400000000, 0.0002129000000000 ] - [ -0.0003399300000000, -0.0006079300000000, 0.0004408500000000 ] - [ -0.0012749000000000, -0.0006300700000000, -0.0009432000000000 ] - [ -0.0003197100000000, 0.0001198300000000, -0.0002235000000000 ] - [ 0.0002703400000000, 0.0002026000000000, -0.0002341400000000 ] - [ 0.0000005600000000, -0.0000024100000000, 0.0002318400000000 ] - [ 0.0000446000000000, -0.0003401100000000, -0.0002181100000000 ] - [ -0.0002826200000000, -0.0000935600000000, 0.0002105200000000 ] - [ 0.0005698300000000, 0.0001967900000000, 0.0001064300000000 ] - [ 0.0000567200000000, 0.0002906800000000, 0.0002126900000000 ] - [ 0.0000944200000000, 0.0000365600000000, -0.0002392800000000 ] - [ -0.0004231000000000, -0.0000823100000000, 0.0000720300000000 ] - [ 0.0002892400000000, 0.0000952700000000, -0.0002139400000000 ] - [ 0.0003141200000000, -0.0001273300000000, 0.0002278100000000 ] - [ 0.0002276700000000, -0.0001949000000000, 0.0001968100000000 ] - [ -0.0002685800000000, -0.0002070000000000, 0.0002254100000000 ] - [ -0.0000596900000000, -0.0002963600000000, -0.0002142300000000 ] - [ -0.0003190300000000, 0.0001268100000000, -0.0002292600000000 ] - [ 0.0002700900000000, 0.0002003700000000, -0.0002302000000000 ] - [ 0.0000004700000000, 0.0000038800000000, 0.0002371700000000 ] - [ 0.0000504200000000, -0.0003429300000000, -0.0002213900000000 ] - [ -0.0002937400000000, -0.0000913000000000, 0.0002298400000000 ] - [ -0.0000463700000000, 0.0003351900000000, 0.0002255600000000 ] - [ 0.0000544500000000, 0.0002960600000000, 0.0002261300000000 ] - [ -0.0000012900000000, 0.0000006600000000, -0.0002393600000000 ] - [ -0.0002301200000000, 0.0002008800000000, -0.0002179600000000 ] - [ -0.0001894700000000, -0.0006337500000000, -0.0004795200000000 ] - [ -0.0000672500000000, 0.0001217000000000, -0.0000552200000000 ] - [ 0.0002175300000000, -0.0002238400000000, 0.0000798900000000 ] - [ 0.0142467100000000, -0.0000271400000000, 0.0000286700000000 ] - [ -0.0002788100000000, -0.0000358500000000, 0.0001602500000000 ] - [ -0.0009307000000000, 0.0018205500000000, 0.0017447500000000 ] - [ -0.0001354900000000, 0.0000010400000000, 0.0000461200000000 ] - [ -0.0003629700000000, 0.0004090900000000, -0.0003168500000000 ] - [ -0.0054296400000000, -0.0004081600000000, -0.0044465900000000 ] - [ 0.0002944600000000, 0.0000517200000000, -0.0000050500000000 ] - [ 0.0000646800000000, -0.0000122700000000, -0.0001817200000000 ] - [ -0.0000657900000000, 0.0001323600000000, -0.0000974200000000 ] - [ -0.0003753400000000, 0.0001753800000000, 0.0008602700000000 ] - [ -0.0021484500000000, -0.0028279900000000, 0.0026344600000000 ] - [ -0.0000121200000000, -0.0000572200000000, 0.0001215500000000 ] - [ 0.0000558900000000, 0.0000403600000000, -0.0002375800000000 ] - [ 0.0002347800000000, -0.0001698700000000, 0.0000602600000000 ] - [ 0.0000005100000000, 0.0000009700000000, -0.0000446700000000 ] - [ -0.0002272400000000, -0.0002676400000000, 0.0000022300000000 ] - [ 0.0002518200000000, 0.0002117300000000, 0.0000271200000000 ] - [ 0.0000033400000000, -0.0000009400000000, 0.0000753800000000 ] - [ -0.0000924400000000, 0.0003515100000000, -0.0000369700000000 ] - [ 0.0000538700000000, -0.0003215000000000, 0.0000263700000000 ] - [ -0.0000360700000000, 0.0000453100000000, 0.0001012100000000 ] - [ -0.0000530900000000, -0.0000159900000000, -0.0001188500000000 ] - [ -0.0001005300000000, -0.0001175500000000, -0.0000343100000000 ] - [ 0.0000648900000000, 0.0000107900000000, 0.0001128100000000 ] - [ -0.0003054400000000, 0.0001112900000000, 0.0000250100000000 ] - [ -0.0000182200000000, -0.0000447600000000, 0.0001601700000000 ] - [ 0.0000159300000000, 0.0000469800000000, -0.0001561300000000 ] - [ 0.0003116300000000, -0.0001083500000000, -0.0000138700000000 ] - [ -0.0000000300000000, -0.0000048100000000, 0.0000117500000000 ] - [ -0.0002492700000000, -0.0002164300000000, -0.0000137500000000 ] - [ 0.0002496600000000, 0.0002169100000000, 0.0000158900000000 ] - [ 0.0000004100000000, -0.0000005300000000, -0.0000113200000000 ] - [ -0.0000611300000000, 0.0003231100000000, -0.0000117800000000 ] - [ 0.0000619000000000, -0.0003244300000000, 0.0000158800000000 ] - [ -0.0000400600000000, 0.0000382000000000, 0.0001532100000000 ] - [ 0.0000342900000000, -0.0000383300000000, -0.0001568700000000 ] - [ -0.0000499400000000, -0.0000121100000000, -0.0001565100000000 ] - [ 0.0000516500000000, 0.0000101200000000, 0.0001559300000000 ] - [ -0.0003071400000000, 0.0001119400000000, 0.0000085700000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002788700000000, -0.0001497200000000, 0.0000953700000000 ] - [ 0.0018146900000000, -0.0015558600000000, -0.0010774500000000 ] - [ -0.0022547600000000, -0.0007936400000000, -0.0010774500000000 ] - [ -0.0000097800000000, 0.0003163700000000, 0.0000953700000000 ] - [ 0.0004400700000000, 0.0023495000000000, -0.0010774500000000 ] - [ -0.0002690900000000, -0.0001666500000000, 0.0000953700000000 ] - [ 0.0012353000000000, 0.0007017800000000, -0.0000687900000000 ] - [ -0.0000124500000000, -0.0001979900000000, 0.0001504000000000 ] - [ -0.0001652400000000, 0.0001097800000000, 0.0001504000000000 ] - [ -0.0012254100000000, 0.0007189100000000, -0.0000687900000000 ] - [ 0.0001776900000000, 0.0000882100000000, 0.0001504000000000 ] - [ -0.0000098800000000, -0.0014206900000000, -0.0000687900000000 ] - [ 0.0002907300000000, -0.0001425900000000, 0.0001627800000000 ] - [ -0.0000148700000000, -0.0001949200000000, 0.0000877200000000 ] - [ -0.0001613700000000, 0.0001103400000000, 0.0000877200000000 ] - [ -0.0000218800000000, 0.0003230700000000, 0.0001627800000000 ] - [ 0.0001762400000000, 0.0000845800000000, 0.0000877200000000 ] - [ -0.0002688500000000, -0.0001804800000000, 0.0001627800000000 ] - [ 0.0002105300000000, 0.0001034400000000, -0.0002531400000000 ] - [ 0.0002853100000000, -0.0001923600000000, 0.0000054500000000 ] - [ -0.0001265600000000, -0.0004223000000000, 0.0009696600000000 ] - [ -0.0003092400000000, -0.0001509100000000, 0.0000054500000000 ] - [ -0.0000156800000000, -0.0002340400000000, -0.0002531400000000 ] - [ 0.0008901100000000, 0.0027370500000000, 0.0040019200000000 ] - [ 0.0019253000000000, -0.0021393800000000, 0.0040019200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001934400000000 ] - [ -0.0028154100000000, -0.0005976700000000, 0.0040019200000000 ] - [ -0.0003024400000000, 0.0003207500000000, 0.0009696600000000 ] - [ 0.0000239300000000, 0.0003432700000000, 0.0000054500000000 ] - [ 0.0004290000000000, 0.0001015500000000, 0.0009696600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002041300000000 ] - [ -0.0001948400000000, 0.0001306000000000, -0.0002531400000000 ] - [ 0.0005235700000000, -0.0001873000000000, -0.0003430300000000 ] - [ 0.0000506800000000, -0.0000381800000000, -0.0000950400000000 ] - [ 0.0002089100000000, -0.0001569800000000, 0.0001307200000000 ] - [ -0.0000584000000000, -0.0000248000000000, -0.0000950400000000 ] - [ -0.0004239900000000, -0.0003597800000000, -0.0003430300000000 ] - [ -0.0003664800000000, 0.0001306500000000, -0.0005192400000000 ] - [ 0.0002963900000000, 0.0002520500000000, -0.0005192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001284200000000 ] - [ 0.0000700900000000, -0.0003827000000000, -0.0005192400000000 ] - [ -0.0002404100000000, -0.0001024300000000, 0.0001307200000000 ] - [ 0.0000077300000000, 0.0000629800000000, -0.0000950400000000 ] - [ 0.0000314900000000, 0.0002594200000000, 0.0001307200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003950800000000 ] - [ -0.0000995800000000, 0.0005470800000000, -0.0003430300000000 ] - [ 0.0002233700000000, 0.0001105200000000, -0.0002564000000000 ] - [ 0.0003020600000000, -0.0001277900000000, 0.0000050100000000 ] - [ 0.0002135700000000, -0.0001546800000000, 0.0001388300000000 ] - [ -0.0002617000000000, -0.0001977000000000, 0.0000050100000000 ] - [ -0.0000159700000000, -0.0002487000000000, -0.0002564000000000 ] - [ -0.0003705800000000, 0.0001281500000000, -0.0005140100000000 ] - [ 0.0002962700000000, 0.0002568600000000, -0.0005140100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001270600000000 ] - [ 0.0000743100000000, -0.0003850000000000, -0.0005140100000000 ] - [ -0.0002407400000000, -0.0001076200000000, 0.0001388300000000 ] - [ -0.0000403600000000, 0.0003254900000000, 0.0000050100000000 ] - [ 0.0000271700000000, 0.0002623000000000, 0.0001388300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001958100000000 ] - [ -0.0002073900000000, 0.0001381800000000, -0.0002564000000000 ] - [ 0.0008165700000000, -0.0000026000000000, 0.0006098600000000 ] - [ -0.0000287800000000, 0.0001050300000000, -0.0001102200000000 ] - [ 0.0002266800000000, -0.0001400400000000, 0.0001788000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0152005600000000 ] - [ -0.0002346200000000, -0.0001262900000000, 0.0001788000000000 ] - [ -0.0010514600000000, 0.0017695900000000, 0.0011035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001084900000000 ] - [ 0.0000079400000000, 0.0002663300000000, 0.0001788000000000 ] - [ 0.0020582400000000, 0.0000258000000000, 0.0011035400000000 ] - [ -0.0004105400000000, -0.0007058700000000, 0.0006098600000000 ] - [ 0.0001053500000000, -0.0000275900000000, -0.0001102200000000 ] - [ -0.0000765700000000, -0.0000774400000000, -0.0001102200000000 ] - [ -0.0004060300000000, 0.0007084700000000, 0.0006098600000000 ] - [ -0.0010067800000000, -0.0017953900000000, 0.0011035400000000 ] - [ -0.0000519300000000, -0.0000191500000000, 0.0002034900000000 ] - [ 0.0000322800000000, 0.0000519900000000, -0.0000402800000000 ] - [ 0.0003117100000000, -0.0000954500000000, 0.0000581700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000405900000000 ] - [ -0.0002385200000000, -0.0002222300000000, 0.0000581700000000 ] - [ 0.0002635000000000, 0.0002755600000000, 0.0001246000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000430100000000 ] - [ -0.0000731900000000, 0.0003176800000000, 0.0000581700000000 ] - [ 0.0001069000000000, -0.0003659800000000, 0.0001246000000000 ] - [ 0.0000093800000000, 0.0000545500000000, 0.0002034900000000 ] - [ 0.0000288900000000, -0.0000539500000000, -0.0000402800000000 ] - [ -0.0000611700000000, 0.0000019600000000, -0.0000402800000000 ] - [ 0.0000425600000000, -0.0000354000000000, 0.0002034900000000 ] - [ -0.0003704000000000, 0.0000904200000000, 0.0001246000000000 ] - [ -0.0000470600000000, -0.0000127600000000, 0.0002380300000000 ] - [ 0.0000034600000000, 0.0000777600000000, -0.0000787600000000 ] - [ 0.0002517400000000, -0.0001351000000000, 0.0000859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000977900000000 ] - [ -0.0002428700000000, -0.0001504600000000, 0.0000859600000000 ] - [ 0.0002596500000000, 0.0002780100000000, 0.0001027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000526000000000 ] - [ -0.0000088700000000, 0.0002855600000000, 0.0000859600000000 ] - [ 0.0001109400000000, -0.0003638700000000, 0.0001027800000000 ] - [ 0.0000124800000000, 0.0000471400000000, 0.0002380300000000 ] - [ 0.0000656100000000, -0.0000418700000000, -0.0000787600000000 ] - [ -0.0000690700000000, -0.0000358900000000, -0.0000787600000000 ] - [ 0.0000345800000000, -0.0000343800000000, 0.0002380300000000 ] - [ -0.0003705900000000, 0.0000858600000000, 0.0001027800000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002205200000000, -0.0001132700000000, -0.0000951800000000 ] - [ -0.0017941500000000, 0.0009911000000000, 0.0009741000000000 ] - [ 0.0017553900000000, 0.0010582300000000, 0.0009741000000000 ] - [ -0.0000121700000000, 0.0002476100000000, -0.0000951800000000 ] - [ 0.0000387600000000, -0.0020493300000000, 0.0009741000000000 ] - [ -0.0002083600000000, -0.0001343400000000, -0.0000951800000000 ] - [ -0.0007161300000000, -0.0009502600000000, 0.0001670900000000 ] - [ 0.0000336300000000, -0.0003756900000000, -0.0001375400000000 ] - [ -0.0003421700000000, 0.0001587200000000, -0.0001375400000000 ] - [ 0.0011810100000000, -0.0001450600000000, 0.0001670900000000 ] - [ 0.0003085400000000, 0.0002169700000000, -0.0001375400000000 ] - [ -0.0004648800000000, 0.0010953200000000, 0.0001670900000000 ] - [ 0.0002083900000000, -0.0001178600000000, -0.0000428100000000 ] - [ 0.0000428500000000, -0.0003759800000000, -0.0001959100000000 ] - [ -0.0003470300000000, 0.0001508800000000, -0.0001959100000000 ] - [ -0.0000021200000000, 0.0002394000000000, -0.0000428100000000 ] - [ 0.0003041900000000, 0.0002251000000000, -0.0001959100000000 ] - [ -0.0002062700000000, -0.0001215400000000, -0.0000428100000000 ] - [ 0.0001743300000000, 0.0001180600000000, -0.0001008900000000 ] - [ 0.0004196200000000, -0.0000534500000000, 0.0005158400000000 ] - [ 0.0005137300000000, 0.0002042500000000, -0.0005984400000000 ] - [ -0.0002560900000000, -0.0003366800000000, 0.0005158400000000 ] - [ 0.0000150800000000, -0.0002100100000000, -0.0001008900000000 ] - [ -0.0015654000000000, -0.0025687100000000, -0.0045495300000000 ] - [ -0.0014418700000000, 0.0026400300000000, -0.0045495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000192000000000 ] - [ 0.0030072600000000, -0.0000713200000000, -0.0045495300000000 ] - [ -0.0000799800000000, -0.0005470200000000, -0.0005984400000000 ] - [ -0.0001635200000000, 0.0003901200000000, 0.0005158400000000 ] - [ -0.0004337500000000, 0.0003427800000000, -0.0005984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000224400000000 ] - [ -0.0001894100000000, 0.0000919500000000, -0.0001008900000000 ] - [ -0.0001068100000000, 0.0004032500000000, 0.0000133800000000 ] - [ 0.0005857300000000, -0.0002117000000000, 0.0006515300000000 ] - [ 0.0001808700000000, -0.0000820700000000, 0.0002312700000000 ] - [ -0.0004762000000000, -0.0004014000000000, 0.0006515300000000 ] - [ 0.0004026300000000, -0.0001091200000000, 0.0000133800000000 ] - [ -0.0003093600000000, 0.0001173400000000, -0.0000535000000000 ] - [ 0.0002563000000000, 0.0002092500000000, -0.0000535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001138500000000 ] - [ 0.0000530700000000, -0.0003265800000000, -0.0000535000000000 ] - [ -0.0001615100000000, -0.0001156100000000, 0.0002312700000000 ] - [ -0.0001095300000000, 0.0006131100000000, 0.0006515300000000 ] - [ -0.0000193600000000, 0.0001976800000000, 0.0002312700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000914500000000 ] - [ -0.0002958100000000, -0.0002941200000000, 0.0000133800000000 ] - [ 0.0001878700000000, 0.0001105700000000, -0.0001165100000000 ] - [ 0.0003807500000000, -0.0001255000000000, 0.0005361500000000 ] - [ 0.0001783400000000, -0.0000707700000000, 0.0002310000000000 ] - [ -0.0002990600000000, -0.0002669900000000, 0.0005361500000000 ] - [ 0.0000018300000000, -0.0002179800000000, -0.0001165100000000 ] - [ -0.0003261200000000, 0.0001197800000000, -0.0000427400000000 ] - [ 0.0002668000000000, 0.0002225400000000, -0.0000427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001099000000000 ] - [ 0.0000593300000000, -0.0003423200000000, -0.0000427400000000 ] - [ -0.0001504600000000, -0.0001190600000000, 0.0002310000000000 ] - [ -0.0000816900000000, 0.0003924900000000, 0.0005361500000000 ] - [ -0.0000278800000000, 0.0001898300000000, 0.0002310000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000629500000000 ] - [ -0.0001896900000000, 0.0001074100000000, -0.0001165100000000 ] - [ -0.0008909200000000, -0.0001026500000000, -0.0003809600000000 ] - [ 0.0000869700000000, 0.0000018000000000, -0.0001227900000000 ] - [ 0.0003830800000000, -0.0000946100000000, -0.0002169400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0152658700000000 ] - [ -0.0002734800000000, -0.0002844600000000, -0.0002169400000000 ] - [ 0.0015582100000000, -0.0013539000000000, -0.0011421100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000499200000000 ] - [ -0.0001096100000000, 0.0003790700000000, -0.0002169400000000 ] - [ -0.0019516200000000, -0.0006725000000000, -0.0011421100000000 ] - [ 0.0003565600000000, 0.0008228900000000, -0.0003809600000000 ] - [ -0.0000419200000000, -0.0000762100000000, -0.0001227900000000 ] - [ -0.0000450400000000, 0.0000744100000000, -0.0001227900000000 ] - [ 0.0005343600000000, -0.0007202400000000, -0.0003809600000000 ] - [ 0.0003934100000000, 0.0020264000000000, -0.0011421100000000 ] - [ -0.0000107200000000, -0.0000733700000000, 0.0000451400000000 ] - [ 0.0000272000000000, 0.0000210800000000, -0.0002444600000000 ] - [ 0.0003145800000000, -0.0001181900000000, -0.0000385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000937800000000 ] - [ -0.0002596400000000, -0.0002133400000000, -0.0000385700000000 ] - [ 0.0002392600000000, 0.0001514300000000, -0.0000696200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001559100000000 ] - [ -0.0000549400000000, 0.0003315300000000, -0.0000385700000000 ] - [ 0.0000115100000000, -0.0002829200000000, -0.0000696200000000 ] - [ -0.0000581800000000, 0.0000459700000000, 0.0000451400000000 ] - [ 0.0000046600000000, -0.0000340900000000, -0.0002444600000000 ] - [ -0.0000318500000000, 0.0000130100000000, -0.0002444600000000 ] - [ 0.0000689000000000, 0.0000274000000000, 0.0000451400000000 ] - [ -0.0002507800000000, 0.0001314900000000, -0.0000696200000000 ] - [ -0.0000055400000000, -0.0000739300000000, 0.0000864700000000 ] - [ 0.0000542800000000, 0.0000066400000000, -0.0002475500000000 ] - [ 0.0003706800000000, -0.0000867300000000, -0.0001010900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000317800000000 ] - [ -0.0002604500000000, -0.0002776500000000, -0.0001010900000000 ] - [ 0.0002421600000000, 0.0001491100000000, -0.0000857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024900000000 ] - [ -0.0001102300000000, 0.0003643900000000, -0.0001010900000000 ] - [ 0.0000080500000000, -0.0002842800000000, -0.0000857700000000 ] - [ -0.0000612600000000, 0.0000417600000000, 0.0000864700000000 ] - [ -0.0000213900000000, -0.0000503300000000, -0.0002475500000000 ] - [ -0.0000329000000000, 0.0000436900000000, -0.0002475500000000 ] - [ 0.0000668000000000, 0.0000321700000000, 0.0000864700000000 ] - [ -0.0002502200000000, 0.0001351600000000, -0.0000857700000000 ]