# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2245eb93-0f44-442b-a8b8-e396e67d4d61/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 Li5V5Cl16 / Aem2 (39) / materials id 532443](https://mdr.nims.go.jp/datasets/e08613be-fe6a-4f0d-bc21-09e7db5e7e29) ## 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: "Aem2" number: 39 Hall_symbol: "A 2 -2c"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.500000000000000, -0.500000000000000 ]- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.326648200000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.604237295000000, 9.915722230000000 ] # b - [ 0.000000000000000, -6.604237295000000, 9.915722230000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.762915990000000, 0.694812730000000, 0.194812730000000 ] mass: 35.453000 - symbol: Cl # 2 coordinates: [ 0.985709130000000, 0.693057890000000, 0.433371030000000 ] mass: 35.453000 - symbol: Cl # 3 coordinates: [ 0.985709130000000, 0.933371030000000, 0.193057890000000 ] mass: 35.453000 - symbol: Cl # 4 coordinates: [ 0.282256110000000, 0.681069920000000, 0.181069920000000 ] mass: 35.453000 - symbol: Cl # 5 coordinates: [ 0.253627550000000, 0.925203380000000, 0.425203380000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.244583950000000, 0.193279920000000, 0.177679880000000 ] mass: 35.453000 - symbol: Cl # 7 coordinates: [ 0.244583950000000, 0.677679880000000, 0.693279920000000 ] mass: 35.453000 - symbol: Cl # 8 coordinates: [ 0.457657970000000, 0.937444360000000, 0.190430980000000 ] mass: 35.453000 - symbol: Cl # 9 coordinates: [ 0.457657970000000, 0.690430980000000, 0.437444360000000 ] mass: 35.453000 - symbol: Cl # 10 coordinates: [ 0.511905340000000, 0.681558040000000, 0.924541500000000 ] mass: 35.453000 - symbol: Cl # 11 coordinates: [ 0.488094660000000, 0.181558040000000, 0.424541500000000 ] mass: 35.453000 - symbol: Cl # 12 coordinates: [ 0.511905340000000, 0.424541500000000, 0.181558040000000 ] mass: 35.453000 - symbol: Cl # 13 coordinates: [ 0.488094660000000, 0.924541500000000, 0.681558040000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.755416050000000, 0.693279920000000, 0.677679880000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.755416050000000, 0.177679880000000, 0.193279920000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.693283020000000, 0.934445430000000, 0.434445430000000 ] mass: 35.453000 - symbol: Cl # 17 coordinates: [ 0.787696730000000, 0.939917280000000, 0.945494860000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.787696730000000, 0.445494860000000, 0.439917280000000 ] mass: 35.453000 - symbol: Cl # 19 coordinates: [ 0.717743890000000, 0.181069920000000, 0.681069920000000 ] mass: 35.453000 - symbol: Cl # 20 coordinates: [ 0.990844490000000, 0.953448460000000, 0.701002320000000 ] mass: 35.453000 - symbol: Cl # 21 coordinates: [ 0.009155510000000, 0.453448460000000, 0.201002320000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.009155510000000, 0.701002320000000, 0.953448460000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.990844490000000, 0.201002320000000, 0.453448460000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.014290870000000, 0.193057890000000, 0.933371030000000 ] mass: 35.453000 - symbol: Cl # 25 coordinates: [ 0.014290870000000, 0.433371030000000, 0.693057890000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.237084010000000, 0.194812730000000, 0.694812730000000 ] mass: 35.453000 - symbol: Cl # 27 coordinates: [ 0.212303270000000, 0.945494860000000, 0.939917280000000 ] mass: 35.453000 - symbol: Cl # 28 coordinates: [ 0.212303270000000, 0.439917280000000, 0.445494860000000 ] mass: 35.453000 - symbol: Cl # 29 coordinates: [ 0.306716980000000, 0.434445430000000, 0.934445430000000 ] mass: 35.453000 - symbol: Cl # 30 coordinates: [ 0.542342030000000, 0.437444360000000, 0.690430980000000 ] mass: 35.453000 - symbol: Cl # 31 coordinates: [ 0.542342030000000, 0.190430980000000, 0.937444360000000 ] mass: 35.453000 - symbol: Cl # 32 coordinates: [ 0.746372450000000, 0.425203380000000, 0.925203380000000 ] mass: 35.453000 - symbol: Li # 33 coordinates: [ 0.019391820000000, 0.495344170000000, 0.995344170000000 ] mass: 6.941000 - symbol: Li # 34 coordinates: [ 0.717242570000000, 0.816254590000000, 0.316254590000000 ] mass: 6.941000 - symbol: Li # 35 coordinates: [ 0.255686750000000, 0.814823320000000, 0.818656820000000 ] mass: 6.941000 - symbol: Li # 36 coordinates: [ 0.255686750000000, 0.318656820000000, 0.314823320000000 ] mass: 6.941000 - symbol: Li # 37 coordinates: [ 0.500000000000000, 0.985687560000000, 0.985687560000000 ] mass: 6.941000 - symbol: Li # 38 coordinates: [ 0.744313250000000, 0.818656820000000, 0.814823320000000 ] mass: 6.941000 - symbol: Li # 39 coordinates: [ 0.744313250000000, 0.314823320000000, 0.318656820000000 ] mass: 6.941000 - symbol: Li # 40 coordinates: [ 0.980608180000000, 0.995344170000000, 0.495344170000000 ] mass: 6.941000 - symbol: Li # 41 coordinates: [ 0.282757430000000, 0.316254590000000, 0.816254590000000 ] mass: 6.941000 - symbol: Li # 42 coordinates: [ 0.500000000000000, 0.485687560000000, 0.485687560000000 ] mass: 6.941000 - symbol: V # 43 coordinates: [ 0.027512910000000, 0.602956850000000, 0.294357950000000 ] mass: 50.941500 - symbol: V # 44 coordinates: [ 0.027512910000000, 0.794357950000000, 0.102956850000000 ] mass: 50.941500 - symbol: V # 45 coordinates: [ 0.207465280000000, 0.792676810000000, 0.292676810000000 ] mass: 50.941500 - symbol: V # 46 coordinates: [ 0.510767420000000, 0.590064330000000, 0.782419610000000 ] mass: 50.941500 - symbol: V # 47 coordinates: [ 0.489232580000000, 0.782419610000000, 0.590064330000000 ] mass: 50.941500 - symbol: V # 48 coordinates: [ 0.489232580000000, 0.090064330000000, 0.282419610000000 ] mass: 50.941500 - symbol: V # 49 coordinates: [ 0.510767420000000, 0.282419610000000, 0.090064330000000 ] mass: 50.941500 - symbol: V # 50 coordinates: [ 0.792534720000000, 0.292676810000000, 0.792676810000000 ] mass: 50.941500 - symbol: V # 51 coordinates: [ 0.972487090000000, 0.294357950000000, 0.602956850000000 ] mass: 50.941500 - symbol: V # 52 coordinates: [ 0.972487090000000, 0.102956850000000, 0.794357950000000 ] mass: 50.941500 reciprocal_lattice: # without 2pi - [ 0.136488060120042, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.075708969509400, 0.050424970405812 ] # b* - [ 0.000000000000000, -0.075708969509400, 0.050424970405812 ] # c*unit_cell: lattice: - [ 7.326648200000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.208474590000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.831444460000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.762915990000000, 0.750000000000000, 0.944812730000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 2 coordinates: [ 0.985709130000000, 0.629843430000000, 0.063214460000000 ] mass: 35.453000 reduced_to: 2 - symbol: Cl # 3 coordinates: [ 0.985709130000000, 0.870156570000000, 0.063214460000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 4 coordinates: [ 0.282256110000000, 0.750000000000000, 0.931069920000000 ] mass: 35.453000 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.253627550000000, 0.750000000000000, 0.175203380000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.244583950000000, 0.007800020000000, 0.185479900000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.244583950000000, 0.492199980000000, 0.185479900000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.457657970000000, 0.873506690000000, 0.063937670000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 9 coordinates: [ 0.457657970000000, 0.626493310000000, 0.063937670000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.511905340000000, 0.378508270000000, 0.303049770000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 11 coordinates: [ 0.488094660000000, 0.878508270000000, 0.303049770000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.511905340000000, 0.121491730000000, 0.303049770000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.488094660000000, 0.621491730000000, 0.303049770000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.755416050000000, 0.507800020000000, 0.185479900000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.755416050000000, 0.992199980000000, 0.185479900000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.693283020000000, 0.750000000000000, 0.184445430000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.787696730000000, 0.497211210000000, 0.442706070000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.787696730000000, 0.002788790000000, 0.442706070000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 19 coordinates: [ 0.717743890000000, 0.750000000000000, 0.431069920000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 20 coordinates: [ 0.990844490000000, 0.626223070000000, 0.327225390000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.009155510000000, 0.126223070000000, 0.327225390000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.009155510000000, 0.373776930000000, 0.327225390000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.990844490000000, 0.873776930000000, 0.327225390000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.014290870000000, 0.629843430000000, 0.563214460000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.014290870000000, 0.870156570000000, 0.563214460000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.237084010000000, 0.750000000000000, 0.444812730000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.212303270000000, 0.502788790000000, 0.442706070000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.212303270000000, 0.997211210000000, 0.442706070000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.306716980000000, 0.750000000000000, 0.684445430000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.542342030000000, 0.873506690000000, 0.563937670000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.542342030000000, 0.626493310000000, 0.563937670000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.746372450000000, 0.750000000000000, 0.675203380000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 33 coordinates: [ 0.762915990000000, 0.250000000000000, 0.444812730000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 34 coordinates: [ 0.985709130000000, 0.129843430000000, 0.563214460000000 ] mass: 35.453000 reduced_to: 2 - symbol: Cl # 35 coordinates: [ 0.985709130000000, 0.370156570000000, 0.563214460000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 36 coordinates: [ 0.282256110000000, 0.250000000000000, 0.431069920000000 ] mass: 35.453000 reduced_to: 4 - symbol: Cl # 37 coordinates: [ 0.253627550000000, 0.250000000000000, 0.675203380000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 38 coordinates: [ 0.244583950000000, 0.507800020000000, 0.685479900000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 39 coordinates: [ 0.244583950000000, 0.992199980000000, 0.685479900000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 40 coordinates: [ 0.457657970000000, 0.373506690000000, 0.563937670000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 41 coordinates: [ 0.457657970000000, 0.126493310000000, 0.563937670000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 42 coordinates: [ 0.511905340000000, 0.878508270000000, 0.803049770000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 43 coordinates: [ 0.488094660000000, 0.378508270000000, 0.803049770000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 44 coordinates: [ 0.511905340000000, 0.621491730000000, 0.803049770000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 45 coordinates: [ 0.488094660000000, 0.121491730000000, 0.803049770000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 46 coordinates: [ 0.755416050000000, 0.007800020000000, 0.685479900000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 47 coordinates: [ 0.755416050000000, 0.492199980000000, 0.685479900000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 48 coordinates: [ 0.693283020000000, 0.250000000000000, 0.684445430000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 49 coordinates: [ 0.787696730000000, 0.997211210000000, 0.942706070000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 50 coordinates: [ 0.787696730000000, 0.502788790000000, 0.942706070000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 51 coordinates: [ 0.717743890000000, 0.250000000000000, 0.931069920000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 52 coordinates: [ 0.990844490000000, 0.126223070000000, 0.827225390000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 53 coordinates: [ 0.009155510000000, 0.626223070000000, 0.827225390000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 54 coordinates: [ 0.009155510000000, 0.873776930000000, 0.827225390000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 55 coordinates: [ 0.990844490000000, 0.373776930000000, 0.827225390000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 56 coordinates: [ 0.014290870000000, 0.129843430000000, 0.063214460000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 57 coordinates: [ 0.014290870000000, 0.370156570000000, 0.063214460000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 58 coordinates: [ 0.237084010000000, 0.250000000000000, 0.944812730000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 59 coordinates: [ 0.212303270000000, 0.002788790000000, 0.942706070000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 60 coordinates: [ 0.212303270000000, 0.497211210000000, 0.942706070000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 61 coordinates: [ 0.306716980000000, 0.250000000000000, 0.184445430000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 62 coordinates: [ 0.542342030000000, 0.373506690000000, 0.063937670000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 63 coordinates: [ 0.542342030000000, 0.126493310000000, 0.063937670000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 64 coordinates: [ 0.746372450000000, 0.250000000000000, 0.175203380000000 ] mass: 35.453000 reduced_to: 32 - symbol: Li # 65 coordinates: [ 0.019391820000000, 0.750000000000000, 0.745344170000000 ] mass: 6.941000 reduced_to: 65 - symbol: Li # 66 coordinates: [ 0.717242570000000, 0.750000000000000, 0.066254590000000 ] mass: 6.941000 reduced_to: 66 - symbol: Li # 67 coordinates: [ 0.255686750000000, 0.498083250000000, 0.316740070000000 ] mass: 6.941000 reduced_to: 67 - symbol: Li # 68 coordinates: [ 0.255686750000000, 0.001916750000000, 0.316740070000000 ] mass: 6.941000 reduced_to: 68 - symbol: Li # 69 coordinates: [ 0.500000000000000, 0.000000000000000, 0.985687560000000 ] mass: 6.941000 reduced_to: 69 - symbol: Li # 70 coordinates: [ 0.744313250000000, 0.501916750000000, 0.316740070000000 ] mass: 6.941000 reduced_to: 70 - symbol: Li # 71 coordinates: [ 0.744313250000000, 0.998083250000000, 0.316740070000000 ] mass: 6.941000 reduced_to: 71 - symbol: Li # 72 coordinates: [ 0.980608180000000, 0.750000000000000, 0.245344170000000 ] mass: 6.941000 reduced_to: 72 - symbol: Li # 73 coordinates: [ 0.282757430000000, 0.750000000000000, 0.566254590000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 74 coordinates: [ 0.500000000000000, 0.500000000000000, 0.985687560000000 ] mass: 6.941000 reduced_to: 74 - symbol: Li # 75 coordinates: [ 0.019391820000000, 0.250000000000000, 0.245344170000000 ] mass: 6.941000 reduced_to: 65 - symbol: Li # 76 coordinates: [ 0.717242570000000, 0.250000000000000, 0.566254590000000 ] mass: 6.941000 reduced_to: 66 - symbol: Li # 77 coordinates: [ 0.255686750000000, 0.998083250000000, 0.816740070000000 ] mass: 6.941000 reduced_to: 67 - symbol: Li # 78 coordinates: [ 0.255686750000000, 0.501916750000000, 0.816740070000000 ] mass: 6.941000 reduced_to: 68 - symbol: Li # 79 coordinates: [ 0.500000000000000, 0.500000000000000, 0.485687560000000 ] mass: 6.941000 reduced_to: 69 - symbol: Li # 80 coordinates: [ 0.744313250000000, 0.001916750000000, 0.816740070000000 ] mass: 6.941000 reduced_to: 70 - symbol: Li # 81 coordinates: [ 0.744313250000000, 0.498083250000000, 0.816740070000000 ] mass: 6.941000 reduced_to: 71 - symbol: Li # 82 coordinates: [ 0.980608180000000, 0.250000000000000, 0.745344170000000 ] mass: 6.941000 reduced_to: 72 - symbol: Li # 83 coordinates: [ 0.282757430000000, 0.250000000000000, 0.066254590000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 84 coordinates: [ 0.500000000000000, 0.000000000000000, 0.485687560000000 ] mass: 6.941000 reduced_to: 74 - symbol: V # 85 coordinates: [ 0.027512910000000, 0.654299450000000, 0.948657400000000 ] mass: 50.941500 reduced_to: 85 - symbol: V # 86 coordinates: [ 0.027512910000000, 0.845700550000000, 0.948657400000000 ] mass: 50.941500 reduced_to: 86 - symbol: V # 87 coordinates: [ 0.207465280000000, 0.750000000000000, 0.042676810000000 ] mass: 50.941500 reduced_to: 87 - symbol: V # 88 coordinates: [ 0.510767420000000, 0.403822360000000, 0.186241970000000 ] mass: 50.941500 reduced_to: 88 - symbol: V # 89 coordinates: [ 0.489232580000000, 0.596177640000000, 0.186241970000000 ] mass: 50.941500 reduced_to: 89 - symbol: V # 90 coordinates: [ 0.489232580000000, 0.903822360000000, 0.186241970000000 ] mass: 50.941500 reduced_to: 90 - symbol: V # 91 coordinates: [ 0.510767420000000, 0.096177640000000, 0.186241970000000 ] mass: 50.941500 reduced_to: 91 - symbol: V # 92 coordinates: [ 0.792534720000000, 0.750000000000000, 0.542676810000000 ] mass: 50.941500 reduced_to: 92 - symbol: V # 93 coordinates: [ 0.972487090000000, 0.845700550000000, 0.448657400000000 ] mass: 50.941500 reduced_to: 93 - symbol: V # 94 coordinates: [ 0.972487090000000, 0.654299450000000, 0.448657400000000 ] mass: 50.941500 reduced_to: 94 - symbol: V # 95 coordinates: [ 0.027512910000000, 0.154299450000000, 0.448657400000000 ] mass: 50.941500 reduced_to: 85 - symbol: V # 96 coordinates: [ 0.027512910000000, 0.345700550000000, 0.448657400000000 ] mass: 50.941500 reduced_to: 86 - symbol: V # 97 coordinates: [ 0.207465280000000, 0.250000000000000, 0.542676810000000 ] mass: 50.941500 reduced_to: 87 - symbol: V # 98 coordinates: [ 0.510767420000000, 0.903822360000000, 0.686241970000000 ] mass: 50.941500 reduced_to: 88 - symbol: V # 99 coordinates: [ 0.489232580000000, 0.096177640000000, 0.686241970000000 ] mass: 50.941500 reduced_to: 89 - symbol: V # 100 coordinates: [ 0.489232580000000, 0.403822360000000, 0.686241970000000 ] mass: 50.941500 reduced_to: 90 - symbol: V # 101 coordinates: [ 0.510767420000000, 0.596177640000000, 0.686241970000000 ] mass: 50.941500 reduced_to: 91 - symbol: V # 102 coordinates: [ 0.792534720000000, 0.250000000000000, 0.042676810000000 ] mass: 50.941500 reduced_to: 92 - symbol: V # 103 coordinates: [ 0.972487090000000, 0.345700550000000, 0.948657400000000 ] mass: 50.941500 reduced_to: 93 - symbol: V # 104 coordinates: [ 0.972487090000000, 0.154299450000000, 0.948657400000000 ] mass: 50.941500 reduced_to: 94supercell: lattice: - [ 7.326648200000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.208474590000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.831444460000000 ] # c points: - symbol: Cl # 1 coordinates: [ 0.762915990000000, 0.750000000000000, 0.944812730000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 2 coordinates: [ 0.985709130000000, 0.629843430000000, 0.063214460000000 ] mass: 35.453000 reduced_to: 2 - symbol: Cl # 3 coordinates: [ 0.985709130000000, 0.870156570000000, 0.063214460000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 4 coordinates: [ 0.282256110000000, 0.750000000000000, 0.931069920000000 ] mass: 35.453000 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.253627550000000, 0.750000000000000, 0.175203380000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.244583950000000, 0.007800020000000, 0.185479900000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.244583950000000, 0.492199980000000, 0.185479900000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.457657970000000, 0.873506690000000, 0.063937670000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 9 coordinates: [ 0.457657970000000, 0.626493310000000, 0.063937670000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.511905340000000, 0.378508270000000, 0.303049770000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 11 coordinates: [ 0.488094660000000, 0.878508270000000, 0.303049770000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.511905340000000, 0.121491730000000, 0.303049770000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.488094660000000, 0.621491730000000, 0.303049770000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.755416050000000, 0.507800020000000, 0.185479900000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.755416050000000, 0.992199980000000, 0.185479900000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.693283020000000, 0.750000000000000, 0.184445430000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.787696730000000, 0.497211210000000, 0.442706070000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.787696730000000, 0.002788790000000, 0.442706070000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 19 coordinates: [ 0.717743890000000, 0.750000000000000, 0.431069920000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 20 coordinates: [ 0.990844490000000, 0.626223070000000, 0.327225390000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.009155510000000, 0.126223070000000, 0.327225390000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.009155510000000, 0.373776930000000, 0.327225390000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.990844490000000, 0.873776930000000, 0.327225390000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.014290870000000, 0.629843430000000, 0.563214460000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.014290870000000, 0.870156570000000, 0.563214460000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.237084010000000, 0.750000000000000, 0.444812730000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.212303270000000, 0.502788790000000, 0.442706070000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.212303270000000, 0.997211210000000, 0.442706070000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.306716980000000, 0.750000000000000, 0.684445430000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.542342030000000, 0.873506690000000, 0.563937670000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.542342030000000, 0.626493310000000, 0.563937670000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.746372450000000, 0.750000000000000, 0.675203380000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 33 coordinates: [ 0.762915990000000, 0.250000000000000, 0.444812730000000 ] mass: 35.453000 reduced_to: 1 - symbol: Cl # 34 coordinates: [ 0.985709130000000, 0.129843430000000, 0.563214460000000 ] mass: 35.453000 reduced_to: 2 - symbol: Cl # 35 coordinates: [ 0.985709130000000, 0.370156570000000, 0.563214460000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 36 coordinates: [ 0.282256110000000, 0.250000000000000, 0.431069920000000 ] mass: 35.453000 reduced_to: 4 - symbol: Cl # 37 coordinates: [ 0.253627550000000, 0.250000000000000, 0.675203380000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 38 coordinates: [ 0.244583950000000, 0.507800020000000, 0.685479900000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 39 coordinates: [ 0.244583950000000, 0.992199980000000, 0.685479900000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 40 coordinates: [ 0.457657970000000, 0.373506690000000, 0.563937670000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 41 coordinates: [ 0.457657970000000, 0.126493310000000, 0.563937670000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 42 coordinates: [ 0.511905340000000, 0.878508270000000, 0.803049770000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 43 coordinates: [ 0.488094660000000, 0.378508270000000, 0.803049770000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 44 coordinates: [ 0.511905340000000, 0.621491730000000, 0.803049770000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 45 coordinates: [ 0.488094660000000, 0.121491730000000, 0.803049770000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 46 coordinates: [ 0.755416050000000, 0.007800020000000, 0.685479900000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 47 coordinates: [ 0.755416050000000, 0.492199980000000, 0.685479900000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 48 coordinates: [ 0.693283020000000, 0.250000000000000, 0.684445430000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 49 coordinates: [ 0.787696730000000, 0.997211210000000, 0.942706070000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 50 coordinates: [ 0.787696730000000, 0.502788790000000, 0.942706070000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 51 coordinates: [ 0.717743890000000, 0.250000000000000, 0.931069920000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 52 coordinates: [ 0.990844490000000, 0.126223070000000, 0.827225390000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 53 coordinates: [ 0.009155510000000, 0.626223070000000, 0.827225390000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 54 coordinates: [ 0.009155510000000, 0.873776930000000, 0.827225390000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 55 coordinates: [ 0.990844490000000, 0.373776930000000, 0.827225390000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 56 coordinates: [ 0.014290870000000, 0.129843430000000, 0.063214460000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 57 coordinates: [ 0.014290870000000, 0.370156570000000, 0.063214460000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 58 coordinates: [ 0.237084010000000, 0.250000000000000, 0.944812730000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 59 coordinates: [ 0.212303270000000, 0.002788790000000, 0.942706070000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 60 coordinates: [ 0.212303270000000, 0.497211210000000, 0.942706070000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 61 coordinates: [ 0.306716980000000, 0.250000000000000, 0.184445430000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 62 coordinates: [ 0.542342030000000, 0.373506690000000, 0.063937670000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 63 coordinates: [ 0.542342030000000, 0.126493310000000, 0.063937670000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 64 coordinates: [ 0.746372450000000, 0.250000000000000, 0.175203380000000 ] mass: 35.453000 reduced_to: 32 - symbol: Li # 65 coordinates: [ 0.019391820000000, 0.750000000000000, 0.745344170000000 ] mass: 6.941000 reduced_to: 65 - symbol: Li # 66 coordinates: [ 0.717242570000000, 0.750000000000000, 0.066254590000000 ] mass: 6.941000 reduced_to: 66 - symbol: Li # 67 coordinates: [ 0.255686750000000, 0.498083250000000, 0.316740070000000 ] mass: 6.941000 reduced_to: 67 - symbol: Li # 68 coordinates: [ 0.255686750000000, 0.001916750000000, 0.316740070000000 ] mass: 6.941000 reduced_to: 68 - symbol: Li # 69 coordinates: [ 0.500000000000000, 0.000000000000000, 0.985687560000000 ] mass: 6.941000 reduced_to: 69 - symbol: Li # 70 coordinates: [ 0.744313250000000, 0.501916750000000, 0.316740070000000 ] mass: 6.941000 reduced_to: 70 - symbol: Li # 71 coordinates: [ 0.744313250000000, 0.998083250000000, 0.316740070000000 ] mass: 6.941000 reduced_to: 71 - symbol: Li # 72 coordinates: [ 0.980608180000000, 0.750000000000000, 0.245344170000000 ] mass: 6.941000 reduced_to: 72 - symbol: Li # 73 coordinates: [ 0.282757430000000, 0.750000000000000, 0.566254590000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 74 coordinates: [ 0.500000000000000, 0.500000000000000, 0.985687560000000 ] mass: 6.941000 reduced_to: 74 - symbol: Li # 75 coordinates: [ 0.019391820000000, 0.250000000000000, 0.245344170000000 ] mass: 6.941000 reduced_to: 65 - symbol: Li # 76 coordinates: [ 0.717242570000000, 0.250000000000000, 0.566254590000000 ] mass: 6.941000 reduced_to: 66 - symbol: Li # 77 coordinates: [ 0.255686750000000, 0.998083250000000, 0.816740070000000 ] mass: 6.941000 reduced_to: 67 - symbol: Li # 78 coordinates: [ 0.255686750000000, 0.501916750000000, 0.816740070000000 ] mass: 6.941000 reduced_to: 68 - symbol: Li # 79 coordinates: [ 0.500000000000000, 0.500000000000000, 0.485687560000000 ] mass: 6.941000 reduced_to: 69 - symbol: Li # 80 coordinates: [ 0.744313250000000, 0.001916750000000, 0.816740070000000 ] mass: 6.941000 reduced_to: 70 - symbol: Li # 81 coordinates: [ 0.744313250000000, 0.498083250000000, 0.816740070000000 ] mass: 6.941000 reduced_to: 71 - symbol: Li # 82 coordinates: [ 0.980608180000000, 0.250000000000000, 0.745344170000000 ] mass: 6.941000 reduced_to: 72 - symbol: Li # 83 coordinates: [ 0.282757430000000, 0.250000000000000, 0.066254590000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 84 coordinates: [ 0.500000000000000, 0.000000000000000, 0.485687560000000 ] mass: 6.941000 reduced_to: 74 - symbol: V # 85 coordinates: [ 0.027512910000000, 0.654299450000000, 0.948657400000000 ] mass: 50.941500 reduced_to: 85 - symbol: V # 86 coordinates: [ 0.027512910000000, 0.845700550000000, 0.948657400000000 ] mass: 50.941500 reduced_to: 86 - symbol: V # 87 coordinates: [ 0.207465280000000, 0.750000000000000, 0.042676810000000 ] mass: 50.941500 reduced_to: 87 - symbol: V # 88 coordinates: [ 0.510767420000000, 0.403822360000000, 0.186241970000000 ] mass: 50.941500 reduced_to: 88 - symbol: V # 89 coordinates: [ 0.489232580000000, 0.596177640000000, 0.186241970000000 ] mass: 50.941500 reduced_to: 89 - symbol: V # 90 coordinates: [ 0.489232580000000, 0.903822360000000, 0.186241970000000 ] mass: 50.941500 reduced_to: 90 - symbol: V # 91 coordinates: [ 0.510767420000000, 0.096177640000000, 0.186241970000000 ] mass: 50.941500 reduced_to: 91 - symbol: V # 92 coordinates: [ 0.792534720000000, 0.750000000000000, 0.542676810000000 ] mass: 50.941500 reduced_to: 92 - symbol: V # 93 coordinates: [ 0.972487090000000, 0.845700550000000, 0.448657400000000 ] mass: 50.941500 reduced_to: 93 - symbol: V # 94 coordinates: [ 0.972487090000000, 0.654299450000000, 0.448657400000000 ] mass: 50.941500 reduced_to: 94 - symbol: V # 95 coordinates: [ 0.027512910000000, 0.154299450000000, 0.448657400000000 ] mass: 50.941500 reduced_to: 85 - symbol: V # 96 coordinates: [ 0.027512910000000, 0.345700550000000, 0.448657400000000 ] mass: 50.941500 reduced_to: 86 - symbol: V # 97 coordinates: [ 0.207465280000000, 0.250000000000000, 0.542676810000000 ] mass: 50.941500 reduced_to: 87 - symbol: V # 98 coordinates: [ 0.510767420000000, 0.903822360000000, 0.686241970000000 ] mass: 50.941500 reduced_to: 88 - symbol: V # 99 coordinates: [ 0.489232580000000, 0.096177640000000, 0.686241970000000 ] mass: 50.941500 reduced_to: 89 - symbol: V # 100 coordinates: [ 0.489232580000000, 0.403822360000000, 0.686241970000000 ] mass: 50.941500 reduced_to: 90 - symbol: V # 101 coordinates: [ 0.510767420000000, 0.596177640000000, 0.686241970000000 ] mass: 50.941500 reduced_to: 91 - symbol: V # 102 coordinates: [ 0.792534720000000, 0.250000000000000, 0.042676810000000 ] mass: 50.941500 reduced_to: 92 - symbol: V # 103 coordinates: [ 0.972487090000000, 0.345700550000000, 0.948657400000000 ] mass: 50.941500 reduced_to: 93 - symbol: V # 104 coordinates: [ 0.972487090000000, 0.154299450000000, 0.948657400000000 ] mass: 50.941500 reduced_to: 94displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1143020000000000, 0.0000000000000000, -0.0027268200000000 ] - [ -0.0005623100000000, 0.0004285700000000, 0.0012314100000000 ] - [ -0.0005623100000000, -0.0004285700000000, 0.0012314100000000 ] - [ 0.0037927100000000, 0.0000000000000000, 0.0006667200000000 ] - [ -0.0001279800000000, 0.0000000000000000, -0.0003283100000000 ] - [ -0.0000177000000000, 0.0000825000000000, -0.0001155100000000 ] - [ -0.0000177000000000, -0.0000825000000000, -0.0001155100000000 ] - [ 0.0022811500000000, -0.0013279200000000, -0.0021827700000000 ] - [ 0.0022811500000000, 0.0013279200000000, -0.0021827700000000 ] - [ 0.0000852900000000, -0.0000247000000000, -0.0000940800000000 ] - [ -0.0000674800000000, -0.0000750900000000, -0.0001623500000000 ] - [ 0.0000852900000000, 0.0000247000000000, -0.0000940800000000 ] - [ -0.0000674800000000, 0.0000750900000000, -0.0001623500000000 ] - [ -0.0000741000000000, 0.0001802500000000, -0.0000864600000000 ] - [ -0.0000741000000000, -0.0001802500000000, -0.0000864600000000 ] - [ 0.0002100100000000, 0.0000000000000000, -0.0005242300000000 ] - [ -0.0000441500000000, -0.0000854400000000, 0.0000489400000000 ] - [ -0.0000441500000000, 0.0000854400000000, 0.0000489400000000 ] - [ -0.0002073600000000, 0.0000000000000000, 0.0000465300000000 ] - [ -0.0001060100000000, 0.0000412900000000, -0.0000556800000000 ] - [ 0.0001086900000000, -0.0000145100000000, 0.0000083300000000 ] - [ 0.0001086900000000, 0.0000145100000000, 0.0000083300000000 ] - [ -0.0001060100000000, -0.0000412900000000, -0.0000556800000000 ] - [ 0.0000700100000000, 0.0000831600000000, 0.0000372300000000 ] - [ 0.0000700100000000, -0.0000831600000000, 0.0000372300000000 ] - [ 0.0001447900000000, 0.0000000000000000, -0.0000759000000000 ] - [ 0.0000435000000000, 0.0001333000000000, 0.0000508600000000 ] - [ 0.0000435000000000, -0.0001333000000000, 0.0000508600000000 ] - [ -0.0002415500000000, 0.0000000000000000, 0.0001927600000000 ] - [ -0.0001003300000000, 0.0000195400000000, -0.0000560200000000 ] - [ -0.0001003300000000, -0.0000195400000000, -0.0000560200000000 ] - [ 0.0001597900000000, 0.0000000000000000, 0.0003764400000000 ] - [ -0.0001462400000000, 0.0000000000000000, -0.0000526900000000 ] - [ -0.0000863900000000, 0.0000416100000000, 0.0000676500000000 ] - [ -0.0000863900000000, -0.0000416100000000, 0.0000676500000000 ] - [ 0.0002335000000000, 0.0000000000000000, 0.0000097300000000 ] - [ -0.0000756800000000, 0.0000000000000000, 0.0001750400000000 ] - [ -0.0000831600000000, 0.0000115700000000, 0.0001047300000000 ] - [ -0.0000831600000000, -0.0000115700000000, 0.0001047300000000 ] - [ 0.0001464800000000, -0.0000079600000000, -0.0001321500000000 ] - [ 0.0001464800000000, 0.0000079600000000, -0.0001321500000000 ] - [ 0.0003331400000000, -0.0004451500000000, 0.0014925200000000 ] - [ -0.0000586800000000, 0.0000475400000000, 0.0002548500000000 ] - [ 0.0003331400000000, 0.0004451500000000, 0.0014925200000000 ] - [ -0.0000586800000000, -0.0000475400000000, 0.0002548500000000 ] - [ 0.0000166400000000, 0.0000262700000000, 0.0000318600000000 ] - [ 0.0000166400000000, -0.0000262700000000, 0.0000318600000000 ] - [ 0.0001511000000000, 0.0000000000000000, 0.0000669700000000 ] - [ -0.0013275600000000, -0.0029019300000000, 0.0001137500000000 ] - [ -0.0013275600000000, 0.0029019300000000, 0.0001137500000000 ] - [ -0.0004679600000000, 0.0000000000000000, -0.0001294500000000 ] - [ -0.0002039500000000, -0.0002573400000000, 0.0000169700000000 ] - [ 0.0006312600000000, -0.0003311000000000, -0.0008860100000000 ] - [ 0.0006312600000000, 0.0003311000000000, -0.0008860100000000 ] - [ -0.0002039500000000, 0.0002573400000000, 0.0000169700000000 ] - [ 0.0001145200000000, 0.0000650700000000, -0.0000439600000000 ] - [ 0.0001145200000000, -0.0000650700000000, -0.0000439600000000 ] - [ 0.0001707400000000, 0.0000000000000000, -0.0001784100000000 ] - [ -0.0008269200000000, 0.0015272500000000, -0.0001188800000000 ] - [ -0.0008269200000000, -0.0015272500000000, -0.0001188800000000 ] - [ -0.0002091800000000, 0.0000000000000000, -0.0000080900000000 ] - [ -0.0000318000000000, 0.0001977800000000, -0.0002357900000000 ] - [ -0.0000318000000000, -0.0001977800000000, -0.0002357900000000 ] - [ 0.0000755400000000, 0.0000000000000000, 0.0000803600000000 ] - [ 0.0001203900000000, 0.0000000000000000, -0.0006704900000000 ] - [ -0.0013594900000000, 0.0000000000000000, 0.0040689200000000 ] - [ 0.0000618000000000, -0.0000049700000000, -0.0000891500000000 ] - [ 0.0000618000000000, 0.0000049700000000, -0.0000891500000000 ] - [ -0.0004940600000000, 0.0008864700000000, 0.0001376400000000 ] - [ -0.0000538700000000, -0.0000685600000000, -0.0001108600000000 ] - [ -0.0000538700000000, 0.0000685600000000, -0.0001108600000000 ] - [ -0.0000943600000000, 0.0000000000000000, 0.0003540200000000 ] - [ 0.0000725700000000, 0.0000000000000000, -0.0001023300000000 ] - [ -0.0004940600000000, -0.0008864700000000, 0.0001376400000000 ] - [ 0.0000531200000000, 0.0000000000000000, 0.0001204200000000 ] - [ -0.0000665400000000, 0.0000000000000000, -0.0000505300000000 ] - [ 0.0002308600000000, 0.0004806200000000, -0.0002633400000000 ] - [ 0.0002308600000000, -0.0004806200000000, -0.0002633400000000 ] - [ 0.0000018200000000, -0.0000087900000000, -0.0000555200000000 ] - [ -0.0002233700000000, 0.0005190900000000, -0.0006755900000000 ] - [ -0.0002233700000000, -0.0005190900000000, -0.0006755900000000 ] - [ -0.0000388900000000, 0.0000000000000000, -0.0000738600000000 ] - [ 0.0000429100000000, 0.0000000000000000, 0.0000008600000000 ] - [ 0.0000018200000000, 0.0000087900000000, -0.0000555200000000 ] - [ 0.0563032400000000, -0.0300326100000000, 0.0013090300000000 ] - [ 0.0563032400000000, 0.0300326100000000, 0.0013090300000000 ] - [ -0.0030058300000000, 0.0000000000000000, -0.0015687300000000 ] - [ -0.0003917000000000, -0.0000395000000000, -0.0000671100000000 ] - [ 0.0006676800000000, -0.0002819000000000, 0.0009365100000000 ] - [ 0.0006676800000000, 0.0002819000000000, 0.0009365100000000 ] - [ -0.0003917000000000, 0.0000395000000000, -0.0000671100000000 ] - [ -0.0002304600000000, 0.0000000000000000, 0.0001236100000000 ] - [ 0.0001947800000000, -0.0000995200000000, 0.0001414700000000 ] - [ 0.0001947800000000, 0.0000995200000000, 0.0001414700000000 ] - [ -0.0001496400000000, 0.0000302200000000, 0.0000961000000000 ] - [ -0.0001496400000000, -0.0000302200000000, 0.0000961000000000 ] - [ 0.0000160800000000, 0.0000000000000000, 0.0001810400000000 ] - [ 0.0001290900000000, -0.0000464800000000, -0.0009919100000000 ] - [ 0.0000900600000000, -0.0000407600000000, -0.0001872300000000 ] - [ 0.0000900600000000, 0.0000407600000000, -0.0001872300000000 ] - [ 0.0001290900000000, 0.0000464800000000, -0.0009919100000000 ] - [ -0.0009410600000000, 0.0000000000000000, 0.0010136800000000 ] - [ 0.0015288100000000, -0.0014647200000000, 0.0000369000000000 ] - [ 0.0015288100000000, 0.0014647200000000, 0.0000369000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1103428000000000, 0.0000000000000000, 0.0026289400000000 ] - [ 0.0002647600000000, -0.0004374200000000, -0.0010108600000000 ] - [ 0.0002647600000000, 0.0004374200000000, -0.0010108600000000 ] - [ -0.0033372800000000, 0.0000000000000000, -0.0007103000000000 ] - [ 0.0000460300000000, 0.0000000000000000, 0.0005693900000000 ] - [ 0.0000711300000000, -0.0000479100000000, 0.0000175800000000 ] - [ 0.0000711300000000, 0.0000479100000000, 0.0000175800000000 ] - [ -0.0019983400000000, 0.0013835000000000, 0.0019477600000000 ] - [ -0.0019983400000000, -0.0013835000000000, 0.0019477600000000 ] - [ 0.0000673300000000, 0.0000174600000000, -0.0000598000000000 ] - [ -0.0000811200000000, 0.0000391400000000, 0.0000174200000000 ] - [ 0.0000673300000000, -0.0000174600000000, -0.0000598000000000 ] - [ -0.0000811200000000, -0.0000391400000000, 0.0000174200000000 ] - [ 0.0000161700000000, -0.0001353200000000, -0.0000172700000000 ] - [ 0.0000161700000000, 0.0001353200000000, -0.0000172700000000 ] - [ -0.0000607900000000, 0.0000000000000000, 0.0005402100000000 ] - [ -0.0000143300000000, -0.0000784700000000, 0.0000701800000000 ] - [ -0.0000143300000000, 0.0000784700000000, 0.0000701800000000 ] - [ -0.0001756100000000, 0.0000000000000000, 0.0000158300000000 ] - [ -0.0001091500000000, 0.0000015800000000, 0.0002033800000000 ] - [ 0.0001055000000000, 0.0000189600000000, 0.0001084400000000 ] - [ 0.0001055000000000, -0.0000189600000000, 0.0001084400000000 ] - [ -0.0001091500000000, -0.0000015800000000, 0.0002033800000000 ] - [ 0.0000484700000000, 0.0000612300000000, 0.0000285600000000 ] - [ 0.0000484700000000, -0.0000612300000000, 0.0000285600000000 ] - [ 0.0000300600000000, 0.0000000000000000, -0.0000268200000000 ] - [ 0.0000045700000000, 0.0000799300000000, 0.0000590400000000 ] - [ 0.0000045700000000, -0.0000799300000000, 0.0000590400000000 ] - [ 0.0000838200000000, 0.0000000000000000, -0.0001865600000000 ] - [ -0.0000684200000000, -0.0000241100000000, -0.0002545500000000 ] - [ -0.0000684200000000, 0.0000241100000000, -0.0002545500000000 ] - [ -0.0000565700000000, 0.0000000000000000, -0.0001931500000000 ] - [ -0.0000048900000000, 0.0000000000000000, -0.0000034300000000 ] - [ -0.0001233900000000, -0.0000369900000000, 0.0001106400000000 ] - [ -0.0001233900000000, 0.0000369900000000, 0.0001106400000000 ] - [ 0.0002267900000000, 0.0000000000000000, -0.0000469000000000 ] - [ -0.0000207500000000, 0.0000000000000000, 0.0000681200000000 ] - [ 0.0000947700000000, 0.0000231000000000, -0.0001994000000000 ] - [ 0.0000947700000000, -0.0000231000000000, -0.0001994000000000 ] - [ 0.0001132700000000, 0.0000632500000000, -0.0001632600000000 ] - [ 0.0001132700000000, -0.0000632500000000, -0.0001632600000000 ] - [ -0.0001800900000000, 0.0004349500000000, -0.0016401200000000 ] - [ -0.0000897500000000, -0.0000715900000000, -0.0003880200000000 ] - [ -0.0001800900000000, -0.0004349500000000, -0.0016401200000000 ] - [ -0.0000897500000000, 0.0000715900000000, -0.0003880200000000 ] - [ -0.0000336900000000, 0.0000078000000000, -0.0001311700000000 ] - [ -0.0000336900000000, -0.0000078000000000, -0.0001311700000000 ] - [ 0.0000110800000000, 0.0000000000000000, -0.0000426600000000 ] - [ 0.0012671200000000, 0.0026620700000000, 0.0000020400000000 ] - [ 0.0012671200000000, -0.0026620700000000, 0.0000020400000000 ] - [ 0.0000325800000000, 0.0000000000000000, 0.0001152700000000 ] - [ -0.0000115900000000, 0.0002859700000000, 0.0001091000000000 ] - [ -0.0004186000000000, 0.0003474000000000, 0.0009919900000000 ] - [ -0.0004186000000000, -0.0003474000000000, 0.0009919900000000 ] - [ -0.0000115900000000, -0.0002859700000000, 0.0001091000000000 ] - [ 0.0000899100000000, -0.0000251700000000, 0.0001859500000000 ] - [ 0.0000899100000000, 0.0000251700000000, 0.0001859500000000 ] - [ -0.0000244100000000, 0.0000000000000000, 0.0001072600000000 ] - [ 0.0008587300000000, -0.0012943700000000, 0.0002177200000000 ] - [ 0.0008587300000000, 0.0012943700000000, 0.0002177200000000 ] - [ 0.0000600700000000, 0.0000000000000000, 0.0000192600000000 ] - [ -0.0002012300000000, -0.0001562700000000, -0.0000472600000000 ] - [ -0.0002012300000000, 0.0001562700000000, -0.0000472600000000 ] - [ 0.0000134900000000, 0.0000000000000000, 0.0001375000000000 ] - [ -0.0000706100000000, 0.0000000000000000, 0.0008317700000000 ] - [ 0.0011478900000000, 0.0000000000000000, -0.0040748600000000 ] - [ 0.0000565500000000, 0.0000668100000000, -0.0002094400000000 ] - [ 0.0000565500000000, -0.0000668100000000, -0.0002094400000000 ] - [ 0.0005081000000000, -0.0008878600000000, -0.0002588700000000 ] - [ -0.0000571700000000, 0.0000101400000000, -0.0001886900000000 ] - [ -0.0000571700000000, -0.0000101400000000, -0.0001886900000000 ] - [ 0.0000457400000000, 0.0000000000000000, -0.0001641000000000 ] - [ 0.0000814900000000, 0.0000000000000000, 0.0000661500000000 ] - [ 0.0005081000000000, 0.0008878600000000, -0.0002588700000000 ] - [ -0.0000013200000000, 0.0000000000000000, 0.0000542400000000 ] - [ -0.0000908400000000, 0.0000000000000000, 0.0000462900000000 ] - [ -0.0001086500000000, -0.0004114400000000, -0.0000348500000000 ] - [ -0.0001086500000000, 0.0004114400000000, -0.0000348500000000 ] - [ 0.0000146200000000, 0.0000222300000000, -0.0000517200000000 ] - [ 0.0001079700000000, -0.0005742600000000, 0.0003750900000000 ] - [ 0.0001079700000000, 0.0005742600000000, 0.0003750900000000 ] - [ -0.0000068600000000, 0.0000000000000000, 0.0002585700000000 ] - [ 0.0001267300000000, 0.0000000000000000, -0.0000089400000000 ] - [ 0.0000146200000000, -0.0000222300000000, -0.0000517200000000 ] - [ -0.0544373700000000, 0.0283254900000000, -0.0010923300000000 ] - [ -0.0544373700000000, -0.0283254900000000, -0.0010923300000000 ] - [ 0.0026511200000000, 0.0000000000000000, 0.0016019400000000 ] - [ 0.0002606000000000, -0.0000323600000000, 0.0000877200000000 ] - [ -0.0005292500000000, 0.0003773100000000, -0.0008823700000000 ] - [ -0.0005292500000000, -0.0003773100000000, -0.0008823700000000 ] - [ 0.0002606000000000, 0.0000323600000000, 0.0000877200000000 ] - [ 0.0001120600000000, 0.0000000000000000, 0.0001972700000000 ] - [ 0.0000606000000000, 0.0001100700000000, 0.0001018300000000 ] - [ 0.0000606000000000, -0.0001100700000000, 0.0001018300000000 ] - [ -0.0000466800000000, -0.0002746300000000, 0.0000865800000000 ] - [ -0.0000466800000000, 0.0002746300000000, 0.0000865800000000 ] - [ -0.0002044900000000, 0.0000000000000000, 0.0000091000000000 ] - [ -0.0002356700000000, -0.0000725100000000, 0.0010005900000000 ] - [ 0.0000322400000000, 0.0001241900000000, 0.0002416000000000 ] - [ 0.0000322400000000, -0.0001241900000000, 0.0002416000000000 ] - [ -0.0002356700000000, 0.0000725100000000, 0.0010005900000000 ] - [ 0.0010180700000000, 0.0000000000000000, -0.0007982800000000 ] - [ -0.0012856400000000, 0.0016359900000000, 0.0001612200000000 ] - [ -0.0012856400000000, -0.0016359900000000, 0.0001612200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009841400000000, -0.0694610400000000, -0.0000549400000000 ] - [ -0.0032776400000000, 0.0017220500000000, -0.0024703000000000 ] - [ 0.0030750200000000, 0.0017426800000000, 0.0026962000000000 ] - [ 0.0002703100000000, -0.0004959500000000, -0.0000367800000000 ] - [ -0.0000338800000000, -0.0000659100000000, 0.0001214100000000 ] - [ 0.0000459600000000, 0.0000881100000000, 0.0000243700000000 ] - [ 0.0001227500000000, 0.0000628800000000, -0.0001224600000000 ] - [ -0.0008857200000000, 0.0004789100000000, 0.0009973900000000 ] - [ 0.0011717600000000, 0.0004359000000000, -0.0012544200000000 ] - [ 0.0000638700000000, -0.0000000200000000, -0.0000653400000000 ] - [ -0.0000837700000000, -0.0000045900000000, -0.0000511400000000 ] - [ 0.0000778000000000, 0.0000000900000000, -0.0000630100000000 ] - [ -0.0000524900000000, 0.0000009700000000, -0.0000718300000000 ] - [ -0.0001533300000000, -0.0000042800000000, -0.0000633900000000 ] - [ -0.0000085400000000, -0.0000254700000000, -0.0000347900000000 ] - [ 0.0000690200000000, -0.0000562300000000, 0.0000023800000000 ] - [ -0.0000444700000000, -0.0000906500000000, 0.0000649000000000 ] - [ -0.0000498600000000, 0.0000881300000000, 0.0000704000000000 ] - [ -0.0002075600000000, -0.0000172100000000, 0.0000324300000000 ] - [ -0.0001096200000000, 0.0000021500000000, 0.0000747500000000 ] - [ 0.0001074900000000, 0.0000052400000000, 0.0000667000000000 ] - [ 0.0001016800000000, 0.0000032900000000, 0.0000441600000000 ] - [ -0.0001046200000000, -0.0000078000000000, 0.0000804900000000 ] - [ 0.0000559400000000, 0.0000582800000000, 0.0000412200000000 ] - [ 0.0000663800000000, -0.0000934100000000, 0.0000263400000000 ] - [ 0.0000928500000000, 0.0000037000000000, -0.0000377100000000 ] - [ 0.0000296200000000, 0.0001019200000000, 0.0000569300000000 ] - [ 0.0000342700000000, -0.0000908100000000, 0.0000595300000000 ] - [ -0.0000721900000000, -0.0000123700000000, -0.0000039900000000 ] - [ -0.0001538100000000, -0.0000075300000000, -0.0002026700000000 ] - [ -0.0000346700000000, -0.0000061000000000, -0.0000992500000000 ] - [ 0.0000412300000000, 0.0000018800000000, 0.0000927500000000 ] - [ -0.0000365400000000, -0.0000010500000000, 0.0000139100000000 ] - [ -0.0001574100000000, -0.0000500200000000, 0.0001267600000000 ] - [ -0.0001497200000000, 0.0000618400000000, 0.0001386600000000 ] - [ 0.0002699000000000, 0.0000013900000000, -0.0000724400000000 ] - [ -0.0000301400000000, 0.0000105500000000, 0.0001371600000000 ] - [ 0.0000808400000000, 0.0000453200000000, -0.0000120300000000 ] - [ 0.0000672700000000, 0.0000257700000000, -0.0000919800000000 ] - [ 0.0001531200000000, 0.0000490200000000, -0.0001147200000000 ] - [ 0.0001963100000000, -0.0000528900000000, -0.0001672200000000 ] - [ -0.0001027400000000, 0.0001394500000000, -0.0005408600000000 ] - [ -0.0000689000000000, 0.0000028500000000, 0.0000128800000000 ] - [ 0.0002451700000000, 0.0001419400000000, 0.0004098300000000 ] - [ -0.0000696900000000, 0.0000016600000000, -0.0001396200000000 ] - [ -0.0000435600000000, 0.0000187100000000, -0.0000666300000000 ] - [ -0.0001100400000000, -0.0000100500000000, -0.0000396800000000 ] - [ 0.0000647800000000, 0.0000082400000000, -0.0000035200000000 ] - [ 0.0015764400000000, 0.0081783100000000, 0.0000864100000000 ] - [ -0.0016123800000000, 0.0081138900000000, 0.0000293500000000 ] - [ -0.0002636700000000, 0.0001150300000000, -0.0000531100000000 ] - [ -0.0001093700000000, 0.0000765000000000, 0.0000084200000000 ] - [ -0.0014750300000000, 0.0011552900000000, 0.0019518600000000 ] - [ 0.0017022100000000, 0.0011534200000000, -0.0018397600000000 ] - [ -0.0000953100000000, 0.0000736500000000, 0.0001055700000000 ] - [ 0.0000901400000000, 0.0000201300000000, 0.0000849300000000 ] - [ 0.0002003200000000, 0.0000907800000000, 0.0001644300000000 ] - [ 0.0000624300000000, 0.0001865900000000, 0.0000078900000000 ] - [ 0.0007543200000000, 0.0017548100000000, -0.0001894900000000 ] - [ -0.0006551100000000, 0.0015808800000000, 0.0003135400000000 ] - [ -0.0000599100000000, 0.0000412700000000, 0.0000020500000000 ] - [ -0.0001452600000000, 0.0000627500000000, -0.0001812200000000 ] - [ -0.0001847300000000, -0.0000056700000000, -0.0000802600000000 ] - [ 0.0000334900000000, 0.0000256900000000, 0.0001327700000000 ] - [ 0.0000266000000000, 0.0001701300000000, 0.0000841900000000 ] - [ -0.0000858900000000, 0.0004927100000000, -0.0000027900000000 ] - [ 0.0000843400000000, 0.0000426900000000, -0.0001481300000000 ] - [ 0.0000511200000000, -0.0000268300000000, -0.0001669900000000 ] - [ -0.0000775700000000, -0.0000719400000000, -0.0000440500000000 ] - [ -0.0000775200000000, -0.0000296900000000, -0.0001563600000000 ] - [ -0.0000488500000000, 0.0000268200000000, -0.0001558800000000 ] - [ -0.0000235000000000, 0.0000176800000000, 0.0000998800000000 ] - [ 0.0000825900000000, -0.0000044400000000, -0.0000088900000000 ] - [ 0.0000698900000000, -0.0000657200000000, -0.0000703800000000 ] - [ 0.0000273900000000, -0.0000075200000000, 0.0000947300000000 ] - [ -0.0000973600000000, 0.0000103000000000, 0.0000255800000000 ] - [ -0.0000478800000000, -0.0000615600000000, -0.0000757700000000 ] - [ 0.0001936600000000, -0.0001246700000000, -0.0002421800000000 ] - [ 0.0000167800000000, 0.0000148600000000, -0.0000503500000000 ] - [ 0.0000062700000000, -0.0000138800000000, -0.0000884700000000 ] - [ -0.0001488000000000, 0.0000507200000000, -0.0002366200000000 ] - [ -0.0000249500000000, -0.0000501600000000, 0.0000884000000000 ] - [ 0.0001002300000000, -0.0000447600000000, 0.0000216200000000 ] - [ 0.0000157000000000, -0.0000191800000000, -0.0000535600000000 ] - [ -0.0320029500000000, 0.0212427300000000, -0.0025853300000000 ] - [ 0.0326410200000000, 0.0219237800000000, 0.0028097800000000 ] - [ -0.0001188400000000, 0.0004671500000000, 0.0000816900000000 ] - [ -0.0000397800000000, -0.0000511400000000, 0.0000420300000000 ] - [ 0.0001323200000000, 0.0000079700000000, 0.0002935200000000 ] - [ -0.0000271800000000, 0.0000252500000000, -0.0003047900000000 ] - [ -0.0000676700000000, -0.0000577000000000, -0.0000403800000000 ] - [ -0.0000726000000000, -0.0000648900000000, 0.0001794800000000 ] - [ 0.0001452700000000, 0.0000649200000000, 0.0000753300000000 ] - [ 0.0001146000000000, 0.0000553800000000, 0.0001758600000000 ] - [ -0.0000832500000000, -0.0002972000000000, 0.0000318700000000 ] - [ -0.0000668100000000, 0.0002319700000000, 0.0000786400000000 ] - [ -0.0002607100000000, 0.0000201100000000, 0.0000139600000000 ] - [ -0.0000133800000000, -0.0000049100000000, 0.0002214800000000 ] - [ 0.0000628800000000, -0.0000384700000000, 0.0001177200000000 ] - [ 0.0000587100000000, -0.0000260300000000, -0.0000753500000000 ] - [ -0.0000909900000000, -0.0000027200000000, -0.0002520300000000 ] - [ 0.0001909700000000, -0.0001825900000000, 0.0000379300000000 ] - [ 0.0007910300000000, -0.0002767100000000, 0.0002879700000000 ] - [ -0.0006317200000000, -0.0007153000000000, -0.0001575200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0025883100000000, 0.0000000000000000, -0.0388692300000000 ] - [ 0.0058172000000000, -0.0015832300000000, 0.0020603900000000 ] - [ 0.0058172000000000, 0.0015832300000000, 0.0020603900000000 ] - [ -0.0013152500000000, 0.0000000000000000, -0.0010377500000000 ] - [ -0.0000843800000000, 0.0000000000000000, -0.0001224200000000 ] - [ 0.0000653700000000, 0.0001212400000000, -0.0000214300000000 ] - [ 0.0000653700000000, -0.0001212400000000, -0.0000214300000000 ] - [ -0.0005382600000000, 0.0003916900000000, 0.0004791200000000 ] - [ -0.0005382600000000, -0.0003916900000000, 0.0004791200000000 ] - [ 0.0000958300000000, -0.0000132500000000, -0.0000792700000000 ] - [ -0.0000882000000000, -0.0000149600000000, -0.0000995800000000 ] - [ 0.0000958300000000, 0.0000132500000000, -0.0000792700000000 ] - [ -0.0000882000000000, 0.0000149600000000, -0.0000995800000000 ] - [ -0.0000075100000000, 0.0000671100000000, -0.0000506600000000 ] - [ -0.0000075100000000, -0.0000671100000000, -0.0000506600000000 ] - [ 0.0001147200000000, 0.0000000000000000, 0.0003008400000000 ] - [ -0.0000357300000000, -0.0001088400000000, 0.0000585700000000 ] - [ -0.0000357300000000, 0.0001088400000000, 0.0000585700000000 ] - [ -0.0002013400000000, 0.0000000000000000, 0.0000265900000000 ] - [ -0.0000995900000000, 0.0000044300000000, 0.0000578300000000 ] - [ 0.0001067200000000, 0.0000029600000000, 0.0000528400000000 ] - [ 0.0001067200000000, -0.0000029600000000, 0.0000528400000000 ] - [ -0.0000995900000000, -0.0000044300000000, 0.0000578300000000 ] - [ 0.0000769600000000, 0.0000485300000000, 0.0000558700000000 ] - [ 0.0000769600000000, -0.0000485300000000, 0.0000558700000000 ] - [ 0.0001030000000000, 0.0000000000000000, -0.0000526700000000 ] - [ 0.0000327600000000, 0.0000998100000000, 0.0000543500000000 ] - [ 0.0000327600000000, -0.0000998100000000, 0.0000543500000000 ] - [ -0.0001774800000000, 0.0000000000000000, 0.0000772500000000 ] - [ -0.0000469400000000, 0.0000482000000000, -0.0001232900000000 ] - [ -0.0000469400000000, -0.0000482000000000, -0.0001232900000000 ] - [ 0.0001438600000000, 0.0000000000000000, 0.0001836500000000 ] - [ -0.0000832300000000, 0.0000000000000000, -0.0000305800000000 ] - [ -0.0000863900000000, 0.0000240700000000, 0.0000732300000000 ] - [ -0.0000863900000000, -0.0000240700000000, 0.0000732300000000 ] - [ 0.0002166000000000, 0.0000000000000000, 0.0000209800000000 ] - [ -0.0000812500000000, 0.0000000000000000, 0.0001429700000000 ] - [ -0.0001096000000000, 0.0000353700000000, 0.0000234400000000 ] - [ -0.0001096000000000, -0.0000353700000000, 0.0000234400000000 ] - [ 0.0000963700000000, 0.0000431800000000, -0.0001509800000000 ] - [ 0.0000963700000000, -0.0000431800000000, -0.0001509800000000 ] - [ 0.0003210200000000, -0.0002375600000000, 0.0006678200000000 ] - [ -0.0000716500000000, 0.0000111700000000, 0.0000920300000000 ] - [ 0.0003210200000000, 0.0002375600000000, 0.0006678200000000 ] - [ -0.0000716500000000, -0.0000111700000000, 0.0000920300000000 ] - [ 0.0000138200000000, -0.0000193300000000, -0.0000203400000000 ] - [ 0.0000138200000000, 0.0000193300000000, -0.0000203400000000 ] - [ 0.0000915400000000, 0.0000000000000000, 0.0000258000000000 ] - [ 0.0000034300000000, -0.0007374500000000, -0.0001249800000000 ] - [ 0.0000034300000000, 0.0007374500000000, -0.0001249800000000 ] - [ -0.0001953700000000, 0.0000000000000000, -0.0000291100000000 ] - [ -0.0001273000000000, -0.0000758200000000, 0.0000495200000000 ] - [ -0.0028510900000000, 0.0023328500000000, 0.0024327600000000 ] - [ -0.0028510900000000, -0.0023328500000000, 0.0024327600000000 ] - [ -0.0001273000000000, 0.0000758200000000, 0.0000495200000000 ] - [ 0.0000437200000000, 0.0000076700000000, -0.0000362800000000 ] - [ 0.0000437200000000, -0.0000076700000000, -0.0000362800000000 ] - [ 0.0001988900000000, 0.0000000000000000, -0.0000492400000000 ] - [ 0.0001525400000000, -0.0002984800000000, -0.0008996500000000 ] - [ 0.0001525400000000, 0.0002984800000000, -0.0008996500000000 ] - [ -0.0001245600000000, 0.0000000000000000, 0.0000058900000000 ] - [ -0.0000745600000000, 0.0000810100000000, -0.0002248800000000 ] - [ -0.0000745600000000, -0.0000810100000000, -0.0002248800000000 ] - [ 0.0000633100000000, 0.0000000000000000, 0.0000717900000000 ] - [ 0.0000454000000000, 0.0000000000000000, -0.0003336600000000 ] - [ -0.0021712600000000, 0.0000000000000000, 0.0136313400000000 ] - [ 0.0000482200000000, 0.0000228300000000, -0.0001485000000000 ] - [ 0.0000482200000000, -0.0000228300000000, -0.0001485000000000 ] - [ -0.0000756300000000, 0.0001329500000000, 0.0000916700000000 ] - [ -0.0000445500000000, -0.0000266400000000, -0.0001470600000000 ] - [ -0.0000445500000000, 0.0000266400000000, -0.0001470600000000 ] - [ -0.0001068500000000, 0.0000000000000000, 0.0001047300000000 ] - [ 0.0000654100000000, 0.0000000000000000, -0.0000550200000000 ] - [ -0.0000756300000000, -0.0001329500000000, 0.0000916700000000 ] - [ 0.0000360500000000, 0.0000000000000000, 0.0000982400000000 ] - [ -0.0000788600000000, 0.0000000000000000, -0.0000208600000000 ] - [ 0.0003239300000000, 0.0003359000000000, -0.0002184600000000 ] - [ 0.0003239300000000, -0.0003359000000000, -0.0002184600000000 ] - [ 0.0000046600000000, -0.0000023400000000, -0.0000543200000000 ] - [ -0.0002149800000000, 0.0001175100000000, -0.0002806200000000 ] - [ -0.0002149800000000, -0.0001175100000000, -0.0002806200000000 ] - [ -0.0000214700000000, 0.0000000000000000, 0.0000166900000000 ] - [ 0.0000797700000000, 0.0000000000000000, 0.0000234000000000 ] - [ 0.0000046600000000, 0.0000023400000000, -0.0000543200000000 ] - [ 0.0000720900000000, -0.0034717700000000, 0.0084886900000000 ] - [ 0.0000720900000000, 0.0034717700000000, 0.0084886900000000 ] - [ 0.0001866100000000, 0.0000000000000000, 0.0016654100000000 ] - [ -0.0002262700000000, 0.0000154700000000, 0.0000001400000000 ] - [ 0.0001913500000000, 0.0000425300000000, -0.0000494800000000 ] - [ 0.0001913500000000, -0.0000425300000000, -0.0000494800000000 ] - [ -0.0002262700000000, -0.0000154700000000, 0.0000001400000000 ] - [ -0.0001851200000000, 0.0000000000000000, 0.0001131900000000 ] - [ 0.0001576700000000, -0.0000350400000000, 0.0001037200000000 ] - [ 0.0001576700000000, 0.0000350400000000, 0.0001037200000000 ] - [ -0.0001099500000000, -0.0000647700000000, 0.0001229100000000 ] - [ -0.0001099500000000, 0.0000647700000000, 0.0001229100000000 ] - [ 0.0000210600000000, 0.0000000000000000, 0.0000743600000000 ] - [ 0.0000581600000000, -0.0000301100000000, -0.0003328500000000 ] - [ 0.0000240600000000, 0.0001005500000000, -0.0000755600000000 ] - [ 0.0000240600000000, -0.0001005500000000, -0.0000755600000000 ] - [ 0.0000581600000000, 0.0000301100000000, -0.0003328500000000 ] - [ -0.0002826700000000, 0.0000000000000000, 0.0005547400000000 ] - [ 0.0002679300000000, -0.0003439600000000, -0.0000953700000000 ] - [ 0.0002679300000000, 0.0003439600000000, -0.0000953700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0027341500000000, 0.0000000000000000, 0.0380631800000000 ] - [ -0.0059373800000000, 0.0014710800000000, -0.0017818700000000 ] - [ -0.0059373800000000, -0.0014710800000000, -0.0017818700000000 ] - [ 0.0018061100000000, 0.0000000000000000, 0.0009672600000000 ] - [ -0.0000147300000000, 0.0000000000000000, 0.0003681900000000 ] - [ -0.0000949400000000, -0.0000800800000000, -0.0000895300000000 ] - [ -0.0000949400000000, 0.0000800800000000, -0.0000895300000000 ] - [ 0.0008187600000000, -0.0003118800000000, -0.0007951200000000 ] - [ 0.0008187600000000, 0.0003118800000000, -0.0007951200000000 ] - [ 0.0000568300000000, -0.0000018300000000, -0.0000268100000000 ] - [ -0.0000610400000000, 0.0000030200000000, -0.0000102500000000 ] - [ 0.0000568300000000, 0.0000018300000000, -0.0000268100000000 ] - [ -0.0000610400000000, -0.0000030200000000, -0.0000102500000000 ] - [ 0.0000389900000000, -0.0000373800000000, -0.0000601900000000 ] - [ 0.0000389900000000, 0.0000373800000000, -0.0000601900000000 ] - [ 0.0000489900000000, 0.0000000000000000, -0.0002941000000000 ] - [ -0.0000321200000000, -0.0000810200000000, 0.0000825300000000 ] - [ -0.0000321200000000, 0.0000810200000000, 0.0000825300000000 ] - [ -0.0002043600000000, 0.0000000000000000, 0.0000054000000000 ] - [ -0.0001167500000000, 0.0000120200000000, 0.0001074300000000 ] - [ 0.0001080000000000, 0.0000173300000000, 0.0000916500000000 ] - [ 0.0001080000000000, -0.0000173300000000, 0.0000916500000000 ] - [ -0.0001167500000000, -0.0000120200000000, 0.0001074300000000 ] - [ 0.0000784800000000, 0.0000395600000000, 0.0000315000000000 ] - [ 0.0000784800000000, -0.0000395600000000, 0.0000315000000000 ] - [ 0.0000514000000000, 0.0000000000000000, -0.0000357500000000 ] - [ 0.0000318400000000, 0.0000932900000000, 0.0000814900000000 ] - [ 0.0000318400000000, -0.0000932900000000, 0.0000814900000000 ] - [ 0.0000356600000000, 0.0000000000000000, -0.0000747500000000 ] - [ -0.0001646700000000, -0.0000176900000000, -0.0001927000000000 ] - [ -0.0001646700000000, 0.0000176900000000, -0.0001927000000000 ] - [ -0.0000561100000000, 0.0000000000000000, 0.0000120300000000 ] - [ -0.0000786300000000, 0.0000000000000000, -0.0000190500000000 ] - [ -0.0000931900000000, 0.0000372700000000, 0.0000595800000000 ] - [ -0.0000931900000000, -0.0000372700000000, 0.0000595800000000 ] - [ 0.0002167400000000, 0.0000000000000000, -0.0000048200000000 ] - [ -0.0000135800000000, 0.0000000000000000, 0.0000665900000000 ] - [ 0.0001251000000000, -0.0000038300000000, -0.0001419500000000 ] - [ 0.0001251000000000, 0.0000038300000000, -0.0001419500000000 ] - [ 0.0001443500000000, -0.0000133500000000, -0.0001782900000000 ] - [ 0.0001443500000000, 0.0000133500000000, -0.0001782900000000 ] - [ -0.0001795100000000, 0.0002392600000000, -0.0008240600000000 ] - [ -0.0000761300000000, -0.0000324900000000, -0.0002252700000000 ] - [ -0.0001795100000000, -0.0002392600000000, -0.0008240600000000 ] - [ -0.0000761300000000, 0.0000324900000000, -0.0002252700000000 ] - [ -0.0000266800000000, 0.0000560700000000, -0.0000977600000000 ] - [ -0.0000266800000000, -0.0000560700000000, -0.0000977600000000 ] - [ 0.0000620100000000, 0.0000000000000000, -0.0000345800000000 ] - [ -0.0000749400000000, 0.0005668600000000, 0.0002499000000000 ] - [ -0.0000749400000000, -0.0005668600000000, 0.0002499000000000 ] - [ -0.0002251200000000, 0.0000000000000000, 0.0000309700000000 ] - [ -0.0000870400000000, 0.0001087000000000, 0.0000957100000000 ] - [ 0.0031368300000000, -0.0023889300000000, -0.0023811000000000 ] - [ 0.0031368300000000, 0.0023889300000000, -0.0023811000000000 ] - [ -0.0000870400000000, -0.0001087000000000, 0.0000957100000000 ] - [ 0.0001384300000000, 0.0000481100000000, 0.0001563200000000 ] - [ 0.0001384300000000, -0.0000481100000000, 0.0001563200000000 ] - [ -0.0000779100000000, 0.0000000000000000, -0.0000108500000000 ] - [ -0.0000916000000000, 0.0005113300000000, 0.0010174000000000 ] - [ -0.0000916000000000, -0.0005113300000000, 0.0010174000000000 ] - [ -0.0000439300000000, 0.0000000000000000, -0.0000068400000000 ] - [ -0.0001581700000000, -0.0000552600000000, -0.0001031700000000 ] - [ -0.0001581700000000, 0.0000552600000000, -0.0001031700000000 ] - [ 0.0000400900000000, 0.0000000000000000, 0.0001397700000000 ] - [ 0.0000026900000000, 0.0000000000000000, 0.0005217700000000 ] - [ 0.0019191900000000, 0.0000000000000000, -0.0129512800000000 ] - [ 0.0000598800000000, 0.0000362100000000, -0.0001444100000000 ] - [ 0.0000598800000000, -0.0000362100000000, -0.0001444100000000 ] - [ 0.0000884700000000, -0.0001302400000000, -0.0002158800000000 ] - [ -0.0000600900000000, -0.0000337900000000, -0.0001471000000000 ] - [ -0.0000600900000000, 0.0000337900000000, -0.0001471000000000 ] - [ 0.0000611500000000, 0.0000000000000000, 0.0000715100000000 ] - [ 0.0000889000000000, 0.0000000000000000, 0.0000252000000000 ] - [ 0.0000884700000000, 0.0001302400000000, -0.0002158800000000 ] - [ 0.0000116700000000, 0.0000000000000000, 0.0000766700000000 ] - [ -0.0000813200000000, 0.0000000000000000, -0.0000003800000000 ] - [ -0.0002157000000000, -0.0002804500000000, -0.0000769700000000 ] - [ -0.0002157000000000, 0.0002804500000000, -0.0000769700000000 ] - [ 0.0000026300000000, 0.0000041400000000, -0.0000526800000000 ] - [ 0.0001089300000000, -0.0001811700000000, -0.0000145500000000 ] - [ 0.0001089300000000, 0.0001811700000000, -0.0000145500000000 ] - [ -0.0000235100000000, 0.0000000000000000, 0.0001676800000000 ] - [ 0.0000833200000000, 0.0000000000000000, -0.0000379700000000 ] - [ 0.0000026300000000, -0.0000041400000000, -0.0000526800000000 ] - [ -0.0005344100000000, 0.0033108700000000, -0.0083129600000000 ] - [ -0.0005344100000000, -0.0033108700000000, -0.0083129600000000 ] - [ -0.0004717200000000, 0.0000000000000000, -0.0015116900000000 ] - [ 0.0001097900000000, -0.0001458900000000, 0.0000345000000000 ] - [ -0.0000640200000000, 0.0000742600000000, 0.0001209200000000 ] - [ -0.0000640200000000, -0.0000742600000000, 0.0001209200000000 ] - [ 0.0001097900000000, 0.0001458900000000, 0.0000345000000000 ] - [ 0.0001528800000000, 0.0000000000000000, 0.0001787800000000 ] - [ 0.0000998300000000, 0.0000874300000000, 0.0001165600000000 ] - [ 0.0000998300000000, -0.0000874300000000, 0.0001165600000000 ] - [ -0.0001087300000000, -0.0000963200000000, 0.0000872200000000 ] - [ -0.0001087300000000, 0.0000963200000000, 0.0000872200000000 ] - [ -0.0001207700000000, 0.0000000000000000, 0.0001482000000000 ] - [ -0.0001871300000000, -0.0000861900000000, 0.0003704200000000 ] - [ 0.0001079700000000, 0.0000019400000000, 0.0001228700000000 ] - [ 0.0001079700000000, -0.0000019400000000, 0.0001228700000000 ] - [ -0.0001871300000000, 0.0000861900000000, 0.0003704200000000 ] - [ 0.0004163500000000, 0.0000000000000000, -0.0003720000000000 ] - [ -0.0000506600000000, 0.0005317900000000, 0.0003020600000000 ] - [ -0.0000506600000000, -0.0005317900000000, 0.0003020600000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004710400000000, -0.0031516700000000, 0.0058304700000000 ] - [ -0.0625941600000000, -0.0307684000000000, 0.0157769000000000 ] - [ -0.0022834300000000, -0.0014048200000000, 0.0019386200000000 ] - [ 0.0006666300000000, 0.0019203700000000, -0.0021204700000000 ] - [ 0.0012292900000000, 0.0012541000000000, 0.0018414900000000 ] - [ 0.0001168900000000, 0.0000340300000000, -0.0000358900000000 ] - [ 0.0005330800000000, -0.0007988700000000, 0.0006768400000000 ] - [ 0.0008019500000000, 0.0010220600000000, 0.0013215700000000 ] - [ 0.0055112000000000, -0.0001162900000000, -0.0006482200000000 ] - [ 0.0001373500000000, 0.0000280600000000, 0.0000199600000000 ] - [ -0.0001702000000000, -0.0000889700000000, -0.0000274100000000 ] - [ 0.0000917100000000, -0.0000037900000000, -0.0000414900000000 ] - [ -0.0000662500000000, 0.0000366400000000, -0.0000548300000000 ] - [ 0.0012194200000000, 0.0010115300000000, -0.0014180800000000 ] - [ -0.0000806400000000, -0.0001066700000000, -0.0001032600000000 ] - [ 0.0013073300000000, -0.0009336700000000, -0.0012019000000000 ] - [ -0.0000165300000000, -0.0000831300000000, 0.0000391400000000 ] - [ -0.0000280800000000, 0.0000818100000000, 0.0000588500000000 ] - [ -0.0002035100000000, -0.0000025600000000, 0.0000340700000000 ] - [ -0.0001165100000000, 0.0000242900000000, -0.0000480900000000 ] - [ 0.0001022100000000, -0.0000034100000000, 0.0000399000000000 ] - [ 0.0001068600000000, 0.0000193700000000, 0.0000061000000000 ] - [ -0.0001083300000000, -0.0000427300000000, -0.0000066000000000 ] - [ 0.0000855200000000, 0.0000613500000000, 0.0000308100000000 ] - [ 0.0000632800000000, -0.0000661900000000, 0.0000229000000000 ] - [ 0.0000839800000000, 0.0000024000000000, -0.0000419400000000 ] - [ 0.0000129800000000, 0.0001256600000000, 0.0000393600000000 ] - [ 0.0000205700000000, -0.0001110000000000, 0.0000510000000000 ] - [ -0.0000681800000000, -0.0000009400000000, -0.0000194400000000 ] - [ -0.0000852200000000, 0.0000268800000000, -0.0001776500000000 ] - [ -0.0000843700000000, -0.0000173400000000, -0.0001755500000000 ] - [ 0.0000414400000000, 0.0000041800000000, 0.0000480200000000 ] - [ -0.0000590300000000, -0.0000039500000000, -0.0000169900000000 ] - [ -0.0001105600000000, -0.0000145000000000, 0.0000833500000000 ] - [ -0.0001227600000000, 0.0000003700000000, 0.0000827800000000 ] - [ 0.0002249300000000, -0.0000011300000000, -0.0000138800000000 ] - [ -0.0000568800000000, -0.0000046400000000, 0.0001252400000000 ] - [ -0.0000047900000000, 0.0000225200000000, -0.0000340900000000 ] - [ 0.0000170700000000, 0.0000114400000000, -0.0000562800000000 ] - [ 0.0001409200000000, 0.0000472700000000, -0.0001759900000000 ] - [ 0.0001271600000000, -0.0000464500000000, -0.0001538600000000 ] - [ 0.0000959900000000, 0.0000189200000000, -0.0000709500000000 ] - [ -0.0000269500000000, -0.0000124000000000, 0.0000388800000000 ] - [ 0.0000965700000000, -0.0000121100000000, -0.0000370400000000 ] - [ -0.0000728800000000, 0.0000052800000000, -0.0000548800000000 ] - [ -0.0000144800000000, 0.0000148700000000, -0.0000674000000000 ] - [ -0.0000378900000000, -0.0000037800000000, -0.0000542100000000 ] - [ 0.0000780800000000, -0.0000012500000000, 0.0000051500000000 ] - [ -0.0001468700000000, 0.0000203500000000, 0.0000683300000000 ] - [ 0.0016002000000000, 0.0026971400000000, 0.0042125200000000 ] - [ -0.0002652000000000, -0.0000088400000000, -0.0000449500000000 ] - [ -0.0001215500000000, 0.0000452500000000, 0.0000861000000000 ] - [ -0.0011245500000000, -0.0001042700000000, 0.0001632900000000 ] - [ -0.0000495200000000, 0.0000115600000000, -0.0001398900000000 ] - [ -0.0001756600000000, 0.0000284200000000, 0.0001942000000000 ] - [ 0.0001065300000000, -0.0000299700000000, 0.0001283600000000 ] - [ -0.0000027100000000, 0.0003371400000000, 0.0001897300000000 ] - [ 0.0000697800000000, 0.0000486700000000, 0.0000260600000000 ] - [ 0.0000609000000000, 0.0001835300000000, 0.0001176100000000 ] - [ 0.0012132200000000, -0.0010255000000000, -0.0016436700000000 ] - [ -0.0001484600000000, 0.0000424100000000, -0.0000055400000000 ] - [ -0.0002077800000000, 0.0000916500000000, -0.0001455500000000 ] - [ -0.0001243600000000, 0.0000369900000000, -0.0001435000000000 ] - [ 0.0000854000000000, 0.0000272800000000, 0.0001088200000000 ] - [ 0.0000133700000000, -0.0000006000000000, 0.0001925000000000 ] - [ 0.0019844600000000, -0.0014761900000000, -0.0000718000000000 ] - [ 0.0000951700000000, -0.0000227800000000, -0.0000851500000000 ] - [ 0.0000658000000000, 0.0000019200000000, -0.0001509100000000 ] - [ -0.0000541000000000, -0.0000080400000000, -0.0000732200000000 ] - [ -0.0000666100000000, -0.0000556800000000, -0.0000704500000000 ] - [ -0.0000692500000000, 0.0000550300000000, -0.0001275400000000 ] - [ 0.0000704100000000, 0.0001130900000000, 0.0004063700000000 ] - [ 0.0000813700000000, -0.0000059500000000, -0.0000006800000000 ] - [ -0.0001851700000000, -0.0001202700000000, -0.0000873400000000 ] - [ 0.0000246800000000, -0.0000235200000000, 0.0001153900000000 ] - [ -0.0000877200000000, -0.0000012400000000, 0.0000030600000000 ] - [ 0.0000300600000000, -0.0000332400000000, -0.0000926700000000 ] - [ 0.0000173400000000, 0.0000461900000000, -0.0001136100000000 ] - [ 0.0000079600000000, 0.0000042700000000, -0.0000437100000000 ] - [ -0.0000254900000000, -0.0000572000000000, -0.0001753900000000 ] - [ 0.0000286400000000, 0.0001803400000000, -0.0004871100000000 ] - [ -0.0000285900000000, -0.0000243800000000, 0.0000764600000000 ] - [ 0.0001729100000000, -0.0000905900000000, -0.0000065100000000 ] - [ 0.0000068600000000, -0.0000049300000000, -0.0000468900000000 ] - [ 0.0105089100000000, -0.0003741600000000, -0.0105098900000000 ] - [ 0.0007614300000000, -0.0009722600000000, 0.0008449500000000 ] - [ 0.0398037100000000, 0.0324538900000000, -0.0149467000000000 ] - [ -0.0005309500000000, 0.0000084500000000, -0.0001411300000000 ] - [ -0.0001773900000000, -0.0000202300000000, -0.0000639100000000 ] - [ 0.0004257100000000, 0.0005971700000000, 0.0003967600000000 ] - [ -0.0001029300000000, 0.0000078000000000, -0.0000211500000000 ] - [ -0.0000925100000000, -0.0000329700000000, 0.0001447700000000 ] - [ 0.0001355600000000, 0.0000434800000000, 0.0001520000000000 ] - [ 0.0001249500000000, -0.0000055300000000, 0.0002355500000000 ] - [ -0.0001019800000000, -0.0001408000000000, 0.0001070600000000 ] - [ -0.0000931700000000, 0.0001259900000000, 0.0001184600000000 ] - [ -0.0001002800000000, 0.0000021800000000, 0.0000595500000000 ] - [ 0.0000240200000000, -0.0000529900000000, 0.0000440600000000 ] - [ 0.0000334100000000, 0.0000291200000000, 0.0000140800000000 ] - [ 0.0000616000000000, -0.0000202400000000, -0.0000528600000000 ] - [ -0.0000424800000000, 0.0000115600000000, 0.0000011000000000 ] - [ -0.0001470500000000, -0.0002697500000000, 0.0002950400000000 ] - [ 0.0004406300000000, -0.0001885200000000, -0.0002685000000000 ] - [ 0.0001875700000000, -0.0000529000000000, 0.0000030100000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003285500000000, 0.0031995700000000, -0.0059536100000000 ] - [ 0.0615242700000000, 0.0292946500000000, -0.0153122600000000 ] - [ 0.0020725600000000, 0.0013692600000000, -0.0017635700000000 ] - [ -0.0002049600000000, -0.0018754800000000, 0.0020558000000000 ] - [ -0.0013262800000000, -0.0012599300000000, -0.0015864000000000 ] - [ -0.0000616900000000, -0.0000022700000000, -0.0000651500000000 ] - [ -0.0004789200000000, 0.0007570500000000, -0.0007660200000000 ] - [ -0.0005098000000000, -0.0009600900000000, -0.0016188200000000 ] - [ -0.0051385400000000, 0.0000923500000000, 0.0003420600000000 ] - [ 0.0000108600000000, -0.0000409400000000, -0.0001299400000000 ] - [ 0.0000216900000000, 0.0000751000000000, -0.0000855600000000 ] - [ 0.0000562500000000, 0.0000176300000000, -0.0000727900000000 ] - [ -0.0000826300000000, -0.0000263700000000, -0.0000583500000000 ] - [ -0.0012894000000000, -0.0010007900000000, 0.0013487000000000 ] - [ 0.0000234300000000, 0.0000775900000000, 0.0000031000000000 ] - [ -0.0011527900000000, 0.0009447000000000, 0.0012168800000000 ] - [ -0.0000226100000000, -0.0000964800000000, 0.0000850600000000 ] - [ -0.0000251800000000, 0.0001028600000000, 0.0000757100000000 ] - [ -0.0002115600000000, -0.0000027600000000, -0.0000359300000000 ] - [ -0.0000975900000000, -0.0000058800000000, 0.0002071300000000 ] - [ 0.0001107300000000, 0.0000273800000000, 0.0001145000000000 ] - [ 0.0001058100000000, -0.0000364700000000, 0.0001497500000000 ] - [ -0.0001052700000000, 0.0000167600000000, 0.0001583400000000 ] - [ 0.0000954800000000, -0.0000089100000000, 0.0000794500000000 ] - [ 0.0001165100000000, 0.0000222600000000, 0.0001050100000000 ] - [ 0.0000293000000000, -0.0000074300000000, -0.0000114000000000 ] - [ 0.0000246500000000, 0.0000563000000000, 0.0000826200000000 ] - [ 0.0000307200000000, -0.0000671300000000, 0.0000811000000000 ] - [ -0.0000964100000000, 0.0000151700000000, 0.0000186000000000 ] - [ -0.0001490200000000, 0.0000142700000000, -0.0001350200000000 ] - [ -0.0001498200000000, -0.0000132800000000, -0.0001378100000000 ] - [ 0.0000570200000000, 0.0000083600000000, 0.0001601400000000 ] - [ -0.0000539800000000, 0.0000048300000000, -0.0000265900000000 ] - [ -0.0000847900000000, 0.0000447200000000, 0.0000518700000000 ] - [ -0.0000722100000000, -0.0000393900000000, 0.0000406200000000 ] - [ 0.0001965700000000, 0.0000019500000000, -0.0000027400000000 ] - [ -0.0000423500000000, -0.0000130900000000, 0.0000881400000000 ] - [ 0.0000300200000000, 0.0000104400000000, -0.0000756100000000 ] - [ 0.0000195100000000, -0.0000373700000000, -0.0000465400000000 ] - [ 0.0001037700000000, -0.0000121500000000, -0.0001452800000000 ] - [ 0.0001243200000000, -0.0000004300000000, -0.0001562200000000 ] - [ 0.0000562700000000, -0.0000181700000000, -0.0000434800000000 ] - [ -0.0001233100000000, -0.0000219500000000, -0.0001567800000000 ] - [ 0.0000524300000000, 0.0000460600000000, -0.0000854900000000 ] - [ -0.0000769000000000, -0.0000101500000000, -0.0000588800000000 ] - [ -0.0000239200000000, 0.0000161300000000, -0.0000355700000000 ] - [ 0.0000097200000000, -0.0000220100000000, -0.0000567200000000 ] - [ 0.0000846600000000, -0.0000197100000000, -0.0000093200000000 ] - [ 0.0000916100000000, -0.0001964100000000, 0.0000487500000000 ] - [ -0.0016479000000000, -0.0025534500000000, -0.0041199400000000 ] - [ -0.0001871800000000, 0.0000002700000000, 0.0000021400000000 ] - [ -0.0000916900000000, -0.0000385100000000, 0.0000519200000000 ] - [ 0.0013339200000000, 0.0001444600000000, 0.0000099300000000 ] - [ 0.0002615600000000, -0.0000215900000000, 0.0002820900000000 ] - [ -0.0000348300000000, -0.0000635200000000, -0.0000532500000000 ] - [ 0.0001146700000000, 0.0000358400000000, 0.0000325700000000 ] - [ 0.0002286100000000, -0.0003271500000000, -0.0000184300000000 ] - [ 0.0000512000000000, -0.0000594700000000, -0.0000486000000000 ] - [ -0.0000040100000000, -0.0000051500000000, 0.0000061400000000 ] - [ -0.0011575800000000, 0.0008332000000000, 0.0017576900000000 ] - [ -0.0000136000000000, -0.0000430100000000, 0.0000078700000000 ] - [ -0.0000582700000000, -0.0000444000000000, -0.0001537100000000 ] - [ -0.0001448100000000, -0.0000864900000000, -0.0001628300000000 ] - [ 0.0000090900000000, -0.0000253300000000, 0.0001261800000000 ] - [ 0.0000339300000000, 0.0000019600000000, -0.0000068800000000 ] - [ -0.0023233400000000, 0.0016391400000000, 0.0000621800000000 ] - [ 0.0000263100000000, 0.0000844700000000, -0.0002159700000000 ] - [ 0.0000563300000000, -0.0000637100000000, -0.0001523700000000 ] - [ 0.0000532100000000, 0.0000018500000000, -0.0000438600000000 ] - [ -0.0000545700000000, -0.0000061200000000, -0.0002380700000000 ] - [ -0.0000523600000000, 0.0000074600000000, -0.0001772300000000 ] - [ -0.0001243200000000, -0.0001196000000000, -0.0002298300000000 ] - [ 0.0000857400000000, 0.0000052500000000, -0.0000068000000000 ] - [ 0.0001886600000000, 0.0001244400000000, -0.0000242300000000 ] - [ 0.0000240500000000, 0.0000239300000000, 0.0000661900000000 ] - [ -0.0000806600000000, -0.0000040300000000, -0.0000099400000000 ] - [ 0.0000897200000000, 0.0000933800000000, -0.0002044600000000 ] - [ 0.0000948500000000, -0.0001032400000000, -0.0001814300000000 ] - [ -0.0000045100000000, -0.0000028300000000, -0.0000684100000000 ] - [ -0.0000939100000000, -0.0000060400000000, -0.0001269600000000 ] - [ -0.0001406400000000, -0.0001164800000000, 0.0001935100000000 ] - [ -0.0000202800000000, 0.0000210700000000, 0.0001065600000000 ] - [ 0.0000036000000000, 0.0000916400000000, 0.0000138200000000 ] - [ -0.0000039000000000, 0.0000019100000000, -0.0000640400000000 ] - [ -0.0108198600000000, 0.0001198600000000, 0.0108599400000000 ] - [ -0.0010034900000000, 0.0011878900000000, -0.0006710300000000 ] - [ -0.0389539900000000, -0.0311371200000000, 0.0147543700000000 ] - [ 0.0004115700000000, -0.0000558900000000, 0.0001563700000000 ] - [ 0.0002978900000000, 0.0000804000000000, 0.0000674600000000 ] - [ -0.0003050100000000, -0.0006628600000000, -0.0004033000000000 ] - [ -0.0000230300000000, 0.0000458400000000, 0.0000365900000000 ] - [ 0.0002260500000000, 0.0000230800000000, 0.0000615700000000 ] - [ 0.0000874100000000, 0.0001484300000000, 0.0000450600000000 ] - [ 0.0000986700000000, -0.0001922900000000, -0.0000454500000000 ] - [ -0.0001147800000000, -0.0000898900000000, 0.0000729200000000 ] - [ -0.0001215200000000, 0.0000982400000000, 0.0000614200000000 ] - [ -0.0000757400000000, -0.0000001300000000, 0.0001371800000000 ] - [ -0.0001413600000000, -0.0000144300000000, -0.0000173200000000 ] - [ 0.0000809600000000, 0.0000440000000000, 0.0000069200000000 ] - [ 0.0000576900000000, -0.0000472000000000, 0.0000939800000000 ] - [ -0.0000737600000000, 0.0000770700000000, 0.0000184800000000 ] - [ 0.0003863200000000, 0.0002775300000000, -0.0001288800000000 ] - [ -0.0002412400000000, 0.0004863100000000, 0.0004370400000000 ] - [ 0.0000133700000000, -0.0002292900000000, 0.0001636400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003981200000000, 0.0017404800000000, -0.0015343400000000 ] - [ -0.0306501400000000, -0.0713077400000000, 0.0170141700000000 ] - [ 0.0013136300000000, 0.0085014700000000, -0.0031725500000000 ] - [ 0.0005250900000000, -0.0004542100000000, -0.0000839000000000 ] - [ 0.0009966700000000, 0.0009419200000000, 0.0015200100000000 ] - [ 0.0000405000000000, 0.0000274700000000, -0.0000672300000000 ] - [ -0.0005334200000000, 0.0007053700000000, -0.0006768000000000 ] - [ 0.0011924500000000, 0.0007014400000000, 0.0009952400000000 ] - [ 0.0001478100000000, -0.0011463500000000, -0.0006367700000000 ] - [ 0.0000351700000000, 0.0000283800000000, 0.0000101300000000 ] - [ -0.0001862800000000, 0.0000296300000000, -0.0000503100000000 ] - [ 0.0001016400000000, -0.0000384200000000, -0.0000944300000000 ] - [ -0.0000659400000000, 0.0000203300000000, 0.0000363400000000 ] - [ 0.0010773600000000, 0.0008708700000000, -0.0016073000000000 ] - [ 0.0000479200000000, -0.0000399700000000, -0.0000310000000000 ] - [ -0.0003928900000000, 0.0002592000000000, 0.0007474700000000 ] - [ -0.0000355000000000, -0.0000812100000000, 0.0000551300000000 ] - [ -0.0000388300000000, 0.0000854000000000, 0.0000594600000000 ] - [ -0.0002199300000000, -0.0000074500000000, -0.0000141200000000 ] - [ -0.0000953000000000, 0.0000153600000000, -0.0000105000000000 ] - [ 0.0001051900000000, 0.0000110700000000, 0.0000593000000000 ] - [ 0.0001007500000000, 0.0000005600000000, 0.0000398400000000 ] - [ -0.0001106200000000, -0.0000237200000000, 0.0000389000000000 ] - [ 0.0000994200000000, 0.0000009100000000, 0.0000729400000000 ] - [ 0.0000911300000000, -0.0000230000000000, 0.0000453400000000 ] - [ 0.0000610700000000, -0.0000166400000000, -0.0000271400000000 ] - [ 0.0000354200000000, 0.0000921600000000, 0.0000530800000000 ] - [ 0.0000340800000000, -0.0000950500000000, 0.0000548600000000 ] - [ -0.0000395600000000, -0.0000027000000000, -0.0000309900000000 ] - [ -0.0001478800000000, 0.0000336100000000, -0.0001902700000000 ] - [ -0.0001082100000000, -0.0000216100000000, -0.0001571200000000 ] - [ 0.0000128900000000, -0.0000082900000000, 0.0000606900000000 ] - [ -0.0000517700000000, 0.0000036800000000, -0.0000171700000000 ] - [ -0.0001334000000000, -0.0000221700000000, 0.0000975600000000 ] - [ -0.0001263300000000, 0.0000255100000000, 0.0001047700000000 ] - [ 0.0002500400000000, 0.0000006100000000, -0.0000515100000000 ] - [ -0.0000356400000000, 0.0000021000000000, 0.0001199200000000 ] - [ 0.0000075800000000, 0.0000105500000000, -0.0000585900000000 ] - [ 0.0000329000000000, 0.0000137700000000, -0.0000918300000000 ] - [ 0.0001606700000000, 0.0000303300000000, -0.0001490000000000 ] - [ 0.0001652500000000, -0.0000322500000000, -0.0001681200000000 ] - [ 0.0000682100000000, 0.0000079800000000, -0.0002031000000000 ] - [ -0.0000584700000000, -0.0000129800000000, 0.0001121600000000 ] - [ 0.0001249300000000, -0.0000370500000000, -0.0000746000000000 ] - [ -0.0000587600000000, 0.0000127800000000, -0.0001504800000000 ] - [ -0.0000079000000000, 0.0000348400000000, -0.0000821000000000 ] - [ 0.0000120700000000, -0.0000154400000000, -0.0000508000000000 ] - [ 0.0000681300000000, 0.0000051100000000, -0.0000015200000000 ] - [ -0.0000548300000000, 0.0000645700000000, 0.0000703000000000 ] - [ 0.0021228200000000, 0.0026375200000000, 0.0044131000000000 ] - [ -0.0002270100000000, 0.0000268300000000, 0.0000223600000000 ] - [ -0.0001421200000000, 0.0001164100000000, 0.0000814600000000 ] - [ -0.0001024600000000, -0.0010826300000000, -0.0001426200000000 ] - [ 0.0002562900000000, 0.0002188200000000, -0.0003042900000000 ] - [ -0.0001267800000000, 0.0000327500000000, 0.0002461100000000 ] - [ 0.0000992900000000, 0.0002067400000000, 0.0000578700000000 ] - [ 0.0003990300000000, 0.0033909300000000, 0.0004276100000000 ] - [ 0.0000322200000000, 0.0000618900000000, -0.0000703300000000 ] - [ 0.0002219500000000, 0.0004892000000000, -0.0003717600000000 ] - [ -0.0012534800000000, 0.0008824200000000, 0.0031667000000000 ] - [ -0.0000338400000000, -0.0000373500000000, 0.0000045900000000 ] - [ 0.0000054300000000, 0.0000031000000000, -0.0001543700000000 ] - [ -0.0002457300000000, 0.0000538000000000, -0.0001441600000000 ] - [ 0.0000558100000000, -0.0000197000000000, 0.0001128700000000 ] - [ 0.0000001100000000, 0.0000079400000000, 0.0003282800000000 ] - [ -0.0054785500000000, 0.0048513800000000, 0.0004596400000000 ] - [ 0.0001131000000000, 0.0000501900000000, -0.0001095000000000 ] - [ 0.0000634700000000, -0.0000247400000000, -0.0001502300000000 ] - [ -0.0000931800000000, -0.0001543500000000, -0.0000685700000000 ] - [ -0.0001057100000000, -0.0000287900000000, -0.0000918300000000 ] - [ -0.0000622100000000, 0.0000247200000000, -0.0001414600000000 ] - [ -0.0000709000000000, 0.0001808600000000, 0.0004611000000000 ] - [ 0.0000833200000000, 0.0000026100000000, 0.0000068200000000 ] - [ -0.0000583200000000, -0.0001124200000000, 0.0000054500000000 ] - [ 0.0000115100000000, -0.0000153700000000, 0.0000866500000000 ] - [ -0.0000874700000000, -0.0000064700000000, 0.0000091900000000 ] - [ -0.0000338700000000, -0.0000753300000000, 0.0000063600000000 ] - [ -0.0000843000000000, 0.0001651900000000, -0.0003989500000000 ] - [ 0.0000057700000000, 0.0000064000000000, -0.0000692100000000 ] - [ 0.0000177900000000, -0.0001263000000000, -0.0000813800000000 ] - [ 0.0001006400000000, 0.0002271500000000, -0.0004512900000000 ] - [ -0.0000267000000000, -0.0000509400000000, 0.0000942300000000 ] - [ 0.0001309500000000, -0.0000342700000000, -0.0000218100000000 ] - [ 0.0000066600000000, -0.0000080400000000, -0.0000561600000000 ] - [ -0.0008509700000000, 0.0077352900000000, -0.0088005400000000 ] - [ 0.0002223600000000, 0.0020221800000000, -0.0008654500000000 ] - [ 0.0307348300000000, 0.0389715300000000, -0.0109034900000000 ] - [ 0.0001380800000000, -0.0004583400000000, -0.0004122600000000 ] - [ -0.0002153100000000, -0.0000385000000000, 0.0007630900000000 ] - [ 0.0004026000000000, 0.0002412000000000, -0.0000127900000000 ] - [ 0.0000102200000000, 0.0000205400000000, 0.0001703700000000 ] - [ 0.0001057100000000, -0.0000453500000000, 0.0001328900000000 ] - [ 0.0001257600000000, 0.0001482800000000, 0.0000703000000000 ] - [ 0.0000882700000000, -0.0000964100000000, 0.0001809000000000 ] - [ -0.0000807200000000, -0.0002050300000000, 0.0000739400000000 ] - [ -0.0000933100000000, 0.0001993900000000, 0.0001009900000000 ] - [ -0.0002035500000000, 0.0000082800000000, 0.0000533100000000 ] - [ -0.0000311500000000, -0.0000631200000000, 0.0001968500000000 ] - [ 0.0000574900000000, 0.0000333700000000, 0.0000736000000000 ] - [ 0.0000430400000000, -0.0000759300000000, -0.0000446800000000 ] - [ -0.0001100300000000, 0.0000484500000000, 0.0000283400000000 ] - [ -0.0004313800000000, -0.0000629700000000, 0.0000629200000000 ] - [ 0.0001931900000000, -0.0007853700000000, 0.0000803500000000 ] - [ 0.0002468700000000, -0.0003488500000000, 0.0000049100000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005203600000000, -0.0017208300000000, 0.0014941400000000 ] - [ 0.0293961000000000, 0.0701659600000000, -0.0166574900000000 ] - [ -0.0014764900000000, -0.0082119400000000, 0.0032650300000000 ] - [ -0.0000813000000000, 0.0004302300000000, 0.0000580300000000 ] - [ -0.0010849200000000, -0.0009416700000000, -0.0012787900000000 ] - [ 0.0000646600000000, 0.0000063300000000, -0.0000330500000000 ] - [ 0.0006702800000000, -0.0007351800000000, 0.0005837000000000 ] - [ -0.0008777100000000, -0.0006070500000000, -0.0012815500000000 ] - [ 0.0001474000000000, 0.0010981000000000, 0.0003373400000000 ] - [ 0.0001091700000000, -0.0000518000000000, -0.0001213100000000 ] - [ 0.0000394000000000, -0.0000321400000000, -0.0000719200000000 ] - [ 0.0000435000000000, 0.0000305400000000, -0.0000364500000000 ] - [ -0.0000799300000000, 0.0000034000000000, -0.0001519800000000 ] - [ -0.0012263200000000, -0.0008499400000000, 0.0015275800000000 ] - [ -0.0001559300000000, 0.0000221400000000, -0.0000690600000000 ] - [ 0.0005493800000000, -0.0002578700000000, -0.0007575000000000 ] - [ -0.0000175300000000, -0.0001019300000000, 0.0000824100000000 ] - [ -0.0000228700000000, 0.0001006400000000, 0.0000635200000000 ] - [ -0.0002226500000000, 0.0000091900000000, -0.0000366300000000 ] - [ -0.0001175100000000, 0.0000109700000000, 0.0001676700000000 ] - [ 0.0001089500000000, -0.0000029900000000, 0.0000961400000000 ] - [ 0.0001124100000000, -0.0000256000000000, 0.0001183500000000 ] - [ -0.0001026900000000, 0.0000114200000000, 0.0001071600000000 ] - [ 0.0001288400000000, -0.0000187500000000, 0.0000825600000000 ] - [ 0.0001408200000000, 0.0000373300000000, 0.0001093400000000 ] - [ 0.0000475500000000, 0.0000197200000000, 0.0000013000000000 ] - [ 0.0000228100000000, 0.0000901500000000, 0.0000857500000000 ] - [ 0.0000314700000000, -0.0000821100000000, 0.0000713400000000 ] - [ -0.0001194600000000, 0.0000053500000000, 0.0000223800000000 ] - [ -0.0001386800000000, 0.0000369200000000, -0.0001474100000000 ] - [ -0.0001659300000000, -0.0000475000000000, -0.0001683000000000 ] - [ 0.0000815000000000, 0.0000112400000000, 0.0001588400000000 ] - [ -0.0000796100000000, -0.0000138500000000, -0.0000138400000000 ] - [ -0.0000753900000000, 0.0000394100000000, 0.0000382600000000 ] - [ -0.0000851500000000, -0.0000415800000000, 0.0000437700000000 ] - [ 0.0001914700000000, -0.0000105300000000, 0.0000247300000000 ] - [ -0.0000577300000000, -0.0000125700000000, 0.0000870700000000 ] - [ -0.0000090000000000, 0.0000182700000000, -0.0000635500000000 ] - [ 0.0000027600000000, -0.0000304400000000, -0.0000220800000000 ] - [ 0.0000954500000000, 0.0000154700000000, -0.0001820800000000 ] - [ 0.0000969100000000, -0.0000237600000000, -0.0001554600000000 ] - [ 0.0000837200000000, -0.0000136400000000, 0.0001062400000000 ] - [ -0.0000897500000000, -0.0000276300000000, -0.0002214700000000 ] - [ 0.0000235700000000, 0.0000752400000000, -0.0000316800000000 ] - [ -0.0000911000000000, -0.0000118200000000, 0.0000376500000000 ] - [ -0.0000231900000000, 0.0000057700000000, -0.0000298900000000 ] - [ -0.0000114400000000, -0.0000194600000000, -0.0000711000000000 ] - [ 0.0000829100000000, -0.0000203700000000, -0.0000130500000000 ] - [ -0.0000214500000000, -0.0002511000000000, 0.0000769800000000 ] - [ -0.0022156900000000, -0.0024866300000000, -0.0043251500000000 ] - [ -0.0001824300000000, -0.0000252300000000, -0.0000176200000000 ] - [ -0.0000729500000000, -0.0001042300000000, 0.0000787800000000 ] - [ 0.0003066400000000, 0.0011076000000000, 0.0003119500000000 ] - [ -0.0000460300000000, -0.0002338000000000, 0.0004590500000000 ] - [ -0.0000875300000000, -0.0000633800000000, -0.0000651900000000 ] - [ 0.0000830600000000, -0.0001672300000000, 0.0000707400000000 ] - [ -0.0002187700000000, -0.0035709500000000, -0.0003223000000000 ] - [ 0.0000920300000000, -0.0000626900000000, 0.0000319900000000 ] - [ -0.0001468800000000, -0.0003015500000000, 0.0005091900000000 ] - [ 0.0013339700000000, -0.0010932400000000, -0.0030644800000000 ] - [ -0.0001229800000000, 0.0000168300000000, -0.0000047400000000 ] - [ -0.0002603800000000, 0.0000368100000000, -0.0001485500000000 ] - [ 0.0000012400000000, -0.0001174400000000, -0.0001418700000000 ] - [ 0.0000303700000000, 0.0000016800000000, 0.0001001200000000 ] - [ 0.0000443000000000, -0.0000027100000000, -0.0001373400000000 ] - [ 0.0051367600000000, -0.0047653200000000, -0.0004639800000000 ] - [ 0.0000186100000000, 0.0000143900000000, -0.0002012900000000 ] - [ 0.0000638400000000, -0.0000359100000000, -0.0001551200000000 ] - [ 0.0000930300000000, 0.0001533300000000, -0.0000472800000000 ] - [ -0.0000266300000000, -0.0000344100000000, -0.0002242400000000 ] - [ -0.0000660400000000, 0.0000407000000000, -0.0001657300000000 ] - [ 0.0000184600000000, -0.0001871900000000, -0.0002805200000000 ] - [ 0.0000882700000000, 0.0000012500000000, -0.0000095800000000 ] - [ 0.0000643800000000, 0.0001082000000000, -0.0001171100000000 ] - [ 0.0000388100000000, 0.0000134900000000, 0.0000881500000000 ] - [ -0.0000831700000000, -0.0000024400000000, -0.0000097200000000 ] - [ 0.0001474200000000, 0.0001368400000000, -0.0002968000000000 ] - [ 0.0001925800000000, -0.0002278400000000, 0.0001160900000000 ] - [ -0.0000068100000000, -0.0000099200000000, -0.0000538600000000 ] - [ -0.0001313200000000, 0.0000647600000000, -0.0002163500000000 ] - [ -0.0002079500000000, -0.0001681900000000, 0.0001694000000000 ] - [ -0.0000225600000000, 0.0000459100000000, 0.0000909100000000 ] - [ 0.0000446100000000, 0.0000346700000000, 0.0000205600000000 ] - [ -0.0000083300000000, 0.0000096600000000, -0.0000615300000000 ] - [ 0.0005770400000000, -0.0080505900000000, 0.0093017500000000 ] - [ -0.0004091900000000, -0.0016681300000000, 0.0009732200000000 ] - [ -0.0297823200000000, -0.0380360200000000, 0.0107455500000000 ] - [ -0.0002559800000000, 0.0004461700000000, 0.0004070200000000 ] - [ 0.0003357700000000, 0.0000504400000000, -0.0007612900000000 ] - [ -0.0003026900000000, -0.0002614400000000, 0.0000101600000000 ] - [ -0.0001220800000000, 0.0000333400000000, -0.0001688300000000 ] - [ 0.0001624600000000, 0.0000385000000000, 0.0000091900000000 ] - [ 0.0000726100000000, 0.0001400700000000, 0.0000899500000000 ] - [ 0.0001116400000000, -0.0001970800000000, -0.0000106500000000 ] - [ -0.0001244100000000, -0.0000579500000000, 0.0001060400000000 ] - [ -0.0001115600000000, 0.0000601700000000, 0.0000858800000000 ] - [ 0.0000177000000000, -0.0000098200000000, 0.0001408600000000 ] - [ -0.0000904300000000, -0.0000088800000000, -0.0001439800000000 ] - [ 0.0000572800000000, 0.0000837200000000, -0.0000543600000000 ] - [ 0.0000717700000000, -0.0000427000000000, 0.0000748700000000 ] - [ -0.0000056100000000, 0.0000623300000000, 0.0000193400000000 ] - [ 0.0005808600000000, 0.0000695700000000, 0.0001573800000000 ] - [ 0.0000249400000000, 0.0009913700000000, 0.0000966100000000 ] - [ -0.0000166800000000, 0.0001513600000000, 0.0001730300000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010318800000000, -0.0025616000000000, 0.0018940200000000 ] - [ 0.0152142600000000, 0.0166132000000000, -0.0900433900000000 ] - [ 0.0017152900000000, 0.0031944200000000, -0.0010222300000000 ] - [ -0.0003122700000000, -0.0010928200000000, 0.0009764500000000 ] - [ 0.0039467900000000, 0.0030815100000000, 0.0025617500000000 ] - [ 0.0000173800000000, 0.0000341100000000, -0.0000589400000000 ] - [ 0.0012258900000000, -0.0012311200000000, 0.0007683500000000 ] - [ 0.0006572500000000, 0.0003503500000000, -0.0012427300000000 ] - [ 0.0003354900000000, 0.0004934600000000, 0.0000576300000000 ] - [ 0.0001344800000000, -0.0000742500000000, -0.0000844800000000 ] - [ -0.0000703400000000, 0.0001354800000000, -0.0000901800000000 ] - [ 0.0000621700000000, 0.0000482000000000, -0.0001133600000000 ] - [ -0.0001193000000000, -0.0000889100000000, -0.0001289200000000 ] - [ -0.0019036800000000, -0.0015074000000000, 0.0017522600000000 ] - [ -0.0000982600000000, -0.0000022400000000, -0.0001073300000000 ] - [ -0.0019496900000000, 0.0014727700000000, 0.0013758500000000 ] - [ -0.0000240200000000, -0.0001016400000000, 0.0000880600000000 ] - [ -0.0000206800000000, 0.0001172100000000, 0.0000750100000000 ] - [ -0.0002260400000000, 0.0000021100000000, -0.0000494600000000 ] - [ -0.0001058100000000, -0.0000199300000000, 0.0002643000000000 ] - [ 0.0001074400000000, 0.0000261600000000, 0.0001164900000000 ] - [ 0.0001173200000000, -0.0000384300000000, 0.0001485200000000 ] - [ -0.0000989100000000, 0.0000321300000000, 0.0001732300000000 ] - [ 0.0001381400000000, -0.0000314600000000, 0.0001188800000000 ] - [ 0.0001495000000000, 0.0000784100000000, 0.0001701400000000 ] - [ 0.0000464900000000, 0.0000005200000000, 0.0000055600000000 ] - [ 0.0000355900000000, 0.0000608500000000, 0.0000848600000000 ] - [ 0.0000285300000000, -0.0000628700000000, 0.0000851000000000 ] - [ -0.0001894400000000, -0.0000092600000000, 0.0001024100000000 ] - [ -0.0001142400000000, 0.0000348000000000, -0.0000883100000000 ] - [ -0.0001812900000000, -0.0000455900000000, -0.0001109800000000 ] - [ 0.0001443000000000, -0.0000052000000000, 0.0002733000000000 ] - [ -0.0000705900000000, -0.0000044100000000, -0.0000240600000000 ] - [ -0.0000797300000000, 0.0000381700000000, 0.0000622100000000 ] - [ -0.0000800100000000, -0.0000540400000000, 0.0000521500000000 ] - [ 0.0001861700000000, -0.0000037800000000, 0.0000129800000000 ] - [ -0.0000687700000000, 0.0000042700000000, 0.0001260600000000 ] - [ -0.0000089700000000, 0.0000234100000000, -0.0000110100000000 ] - [ -0.0000500500000000, -0.0000628900000000, 0.0000015900000000 ] - [ 0.0001128700000000, -0.0000098900000000, -0.0001426400000000 ] - [ 0.0000942200000000, 0.0000045600000000, -0.0001511100000000 ] - [ 0.0000606200000000, -0.0000559700000000, 0.0002201800000000 ] - [ -0.0000921700000000, -0.0000058300000000, 0.0000742900000000 ] - [ 0.0000406200000000, 0.0000724600000000, 0.0002436700000000 ] - [ -0.0000954200000000, -0.0000109400000000, 0.0000818600000000 ] - [ 0.0000204400000000, 0.0000045000000000, -0.0000104000000000 ] - [ 0.0000013500000000, -0.0000111800000000, -0.0000100500000000 ] - [ 0.0001181900000000, 0.0000098600000000, 0.0000190200000000 ] - [ 0.0000712600000000, -0.0004000000000000, 0.0000237900000000 ] - [ 0.0023940500000000, 0.0028913500000000, 0.0029381600000000 ] - [ -0.0002634600000000, -0.0000020900000000, -0.0000326600000000 ] - [ -0.0000820700000000, -0.0001173200000000, 0.0000259100000000 ] - [ 0.0014051500000000, 0.0019322700000000, 0.0034925500000000 ] - [ 0.0000733900000000, -0.0002278400000000, 0.0006276500000000 ] - [ -0.0001043000000000, 0.0001391800000000, -0.0000854700000000 ] - [ 0.0000346200000000, 0.0000510000000000, 0.0000050300000000 ] - [ -0.0000209800000000, -0.0004307900000000, -0.0003446900000000 ] - [ 0.0001728500000000, -0.0000461700000000, -0.0001049800000000 ] - [ -0.0000856100000000, -0.0002991300000000, 0.0002611300000000 ] - [ -0.0017580200000000, 0.0017382700000000, 0.0017130100000000 ] - [ -0.0000995400000000, -0.0000653700000000, 0.0000031800000000 ] - [ -0.0001479800000000, 0.0000563000000000, -0.0002035400000000 ] - [ -0.0000083400000000, -0.0000923700000000, -0.0001545900000000 ] - [ 0.0000245100000000, -0.0000425600000000, 0.0000895200000000 ] - [ 0.0000777700000000, 0.0002101500000000, -0.0003815500000000 ] - [ 0.0024724900000000, -0.0019930100000000, 0.0003833800000000 ] - [ 0.0000429700000000, 0.0000213400000000, -0.0002522100000000 ] - [ 0.0000730900000000, -0.0000708200000000, -0.0001663500000000 ] - [ 0.0001054500000000, 0.0001130300000000, 0.0000805300000000 ] - [ -0.0000493500000000, -0.0000205800000000, -0.0002650700000000 ] - [ -0.0000744100000000, -0.0000032000000000, -0.0001760500000000 ] - [ -0.0001637700000000, -0.0002036200000000, -0.0004900000000000 ] - [ 0.0000875900000000, 0.0000040000000000, -0.0000366100000000 ] - [ 0.0001090200000000, 0.0001433600000000, 0.0002660200000000 ] - [ 0.0000425800000000, 0.0000323500000000, 0.0000606100000000 ] - [ -0.0000781500000000, 0.0000002100000000, -0.0000280900000000 ] - [ 0.0001986500000000, 0.0002287800000000, -0.0003025300000000 ] - [ 0.0003429800000000, -0.0003352600000000, -0.0002287100000000 ] - [ -0.0000072500000000, -0.0000161600000000, -0.0000811800000000 ] - [ -0.0001814600000000, 0.0001376900000000, -0.0002186800000000 ] - [ -0.0003539600000000, -0.0002733100000000, -0.0000836400000000 ] - [ -0.0000241900000000, -0.0000096400000000, 0.0000226600000000 ] - [ -0.0000003100000000, 0.0000917000000000, 0.0000509500000000 ] - [ -0.0000114200000000, 0.0000113500000000, -0.0000822900000000 ] - [ -0.0130566100000000, -0.0129615300000000, 0.0650011400000000 ] - [ -0.0010974000000000, -0.0009352500000000, 0.0002199500000000 ] - [ -0.0101472100000000, -0.0088011800000000, 0.0087056400000000 ] - [ -0.0005137100000000, 0.0007230500000000, 0.0004572900000000 ] - [ 0.0004801600000000, 0.0006170700000000, -0.0003739900000000 ] - [ -0.0001169100000000, -0.0013357500000000, 0.0006491300000000 ] - [ -0.0000647800000000, 0.0002299400000000, -0.0001051000000000 ] - [ 0.0002242100000000, 0.0000778600000000, -0.0000524500000000 ] - [ 0.0000758100000000, 0.0001643200000000, 0.0000220200000000 ] - [ 0.0001077100000000, -0.0002732200000000, -0.0001522500000000 ] - [ -0.0001169100000000, -0.0000373100000000, 0.0000803300000000 ] - [ -0.0001265000000000, 0.0000619800000000, 0.0000183100000000 ] - [ -0.0000193800000000, -0.0000212400000000, 0.0001094600000000 ] - [ -0.0001105100000000, 0.0000303800000000, -0.0002463300000000 ] - [ 0.0000841800000000, 0.0000408500000000, -0.0000703200000000 ] - [ 0.0000806300000000, -0.0000587700000000, -0.0000353800000000 ] - [ -0.0000421500000000, 0.0000841600000000, -0.0002146400000000 ] - [ 0.0001381900000000, 0.0000866400000000, 0.0002390400000000 ] - [ 0.0001947600000000, -0.0001199000000000, 0.0006334200000000 ] - [ 0.0000295700000000, 0.0004334900000000, 0.0002929300000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011696000000000, 0.0026027200000000, -0.0019611300000000 ] - [ -0.0158400200000000, -0.0170307900000000, 0.0935782700000000 ] - [ -0.0019562100000000, -0.0032715000000000, 0.0011760200000000 ] - [ 0.0007670300000000, 0.0011159500000000, -0.0010222300000000 ] - [ -0.0039511300000000, -0.0030340200000000, -0.0022720600000000 ] - [ 0.0000642500000000, 0.0000081900000000, -0.0000460600000000 ] - [ -0.0011200900000000, 0.0011874800000000, -0.0008497200000000 ] - [ -0.0003909900000000, -0.0003017400000000, 0.0009557000000000 ] - [ -0.0000869600000000, -0.0005630200000000, -0.0003437900000000 ] - [ 0.0000112800000000, 0.0000611500000000, -0.0000365200000000 ] - [ -0.0000767000000000, -0.0001582900000000, -0.0000349800000000 ] - [ 0.0000827900000000, -0.0000189000000000, -0.0000210200000000 ] - [ -0.0000256500000000, 0.0000899600000000, -0.0000002400000000 ] - [ 0.0017758400000000, 0.0015000400000000, -0.0018163400000000 ] - [ 0.0000094700000000, -0.0000146100000000, -0.0000004000000000 ] - [ 0.0020615200000000, -0.0014604900000000, -0.0013497400000000 ] - [ -0.0000215700000000, -0.0000856500000000, 0.0000225800000000 ] - [ -0.0000279600000000, 0.0000781800000000, 0.0000624000000000 ] - [ -0.0002180000000000, -0.0000108400000000, -0.0000039300000000 ] - [ -0.0001083300000000, 0.0000204100000000, -0.0001156700000000 ] - [ 0.0001059200000000, 0.0000164600000000, 0.0000497400000000 ] - [ 0.0000951900000000, 0.0000233400000000, 0.0000116900000000 ] - [ -0.0001115800000000, -0.0000624900000000, -0.0000391300000000 ] - [ 0.0001091300000000, 0.0000068400000000, 0.0000504300000000 ] - [ 0.0000926700000000, -0.0000191400000000, 0.0000443100000000 ] - [ 0.0000555900000000, -0.0000115200000000, -0.0000223800000000 ] - [ 0.0000221800000000, 0.0001089000000000, 0.0000326500000000 ] - [ 0.0000272700000000, -0.0001041900000000, 0.0000581300000000 ] - [ 0.0000266000000000, 0.0000211600000000, -0.0001068900000000 ] - [ -0.0001596500000000, 0.0000478400000000, -0.0002025400000000 ] - [ -0.0001260800000000, -0.0000301200000000, -0.0001957400000000 ] - [ -0.0000487100000000, 0.0000249600000000, -0.0000337600000000 ] - [ -0.0000605600000000, 0.0000076500000000, -0.0000276700000000 ] - [ -0.0000981000000000, 0.0000062800000000, 0.0000686600000000 ] - [ -0.0001016600000000, -0.0000206300000000, 0.0000506200000000 ] - [ 0.0002156300000000, 0.0000068300000000, 0.0000015000000000 ] - [ -0.0000402600000000, -0.0000168400000000, 0.0000835800000000 ] - [ 0.0001261600000000, -0.0000012700000000, -0.0000984000000000 ] - [ 0.0000709300000000, 0.0000176800000000, -0.0001020000000000 ] - [ 0.0001290700000000, 0.0000354200000000, -0.0001753700000000 ] - [ 0.0001305800000000, -0.0000373500000000, -0.0001754100000000 ] - [ 0.0000862200000000, 0.0000705700000000, -0.0003571600000000 ] - [ -0.0000526700000000, -0.0000309000000000, -0.0001915900000000 ] - [ 0.0001013500000000, -0.0000572700000000, -0.0003691500000000 ] - [ -0.0000564200000000, 0.0000188100000000, -0.0001924800000000 ] - [ -0.0000417800000000, 0.0000125700000000, -0.0000895200000000 ] - [ -0.0001151200000000, -0.0000236800000000, -0.0000964300000000 ] - [ 0.0000590400000000, -0.0000114100000000, -0.0000205200000000 ] - [ -0.0001226400000000, 0.0002449800000000, 0.0000946800000000 ] - [ -0.0024742900000000, -0.0027598000000000, -0.0028118600000000 ] - [ -0.0001427400000000, -0.0000022900000000, 0.0000425200000000 ] - [ -0.0001360200000000, 0.0001303500000000, 0.0001170300000000 ] - [ -0.0011924300000000, -0.0019252400000000, -0.0034158800000000 ] - [ 0.0001401300000000, 0.0002443500000000, -0.0005236400000000 ] - [ -0.0001143400000000, -0.0001950900000000, 0.0002645500000000 ] - [ 0.0001477800000000, -0.0000020600000000, 0.0001183100000000 ] - [ 0.0002021800000000, 0.0003936900000000, 0.0004718500000000 ] - [ -0.0000593700000000, 0.0000391700000000, 0.0000624600000000 ] - [ 0.0001326800000000, 0.0005057200000000, -0.0001497200000000 ] - [ 0.0018360400000000, -0.0019800200000000, -0.0016066300000000 ] - [ -0.0000587200000000, 0.0000660200000000, -0.0000064600000000 ] - [ -0.0000952000000000, -0.0000156200000000, -0.0000979200000000 ] - [ -0.0002279900000000, 0.0000531400000000, -0.0001390100000000 ] - [ 0.0000679700000000, 0.0000458300000000, 0.0001208000000000 ] - [ -0.0000299600000000, -0.0002037800000000, 0.0005766400000000 ] - [ -0.0026339600000000, 0.0019771700000000, -0.0003557500000000 ] - [ 0.0000802800000000, 0.0000398700000000, -0.0000514800000000 ] - [ 0.0000513200000000, 0.0000119700000000, -0.0001365400000000 ] - [ -0.0001059000000000, -0.0001103100000000, -0.0001963200000000 ] - [ -0.0000776700000000, -0.0000428000000000, -0.0000464900000000 ] - [ -0.0000541300000000, 0.0000701600000000, -0.0001312100000000 ] - [ 0.0001146300000000, 0.0001934200000000, 0.0006533500000000 ] - [ 0.0000972000000000, -0.0000048200000000, 0.0000611700000000 ] - [ -0.0001112300000000, -0.0001486300000000, -0.0003695600000000 ] - [ 0.0000048900000000, -0.0000330100000000, 0.0001220000000000 ] - [ -0.0000906900000000, 0.0000033900000000, 0.0000233200000000 ] - [ -0.0000890100000000, -0.0001763600000000, 0.0000071800000000 ] - [ -0.0002186200000000, 0.0002736200000000, -0.0000755000000000 ] - [ -0.0000009000000000, 0.0000017300000000, -0.0000307900000000 ] - [ 0.0000698900000000, -0.0002067600000000, -0.0000861600000000 ] - [ 0.0002293800000000, 0.0003386800000000, -0.0002295100000000 ] - [ -0.0000272800000000, 0.0000004600000000, 0.0001643700000000 ] - [ 0.0001708200000000, -0.0000921200000000, -0.0000526200000000 ] - [ 0.0000014200000000, -0.0000024900000000, -0.0000324800000000 ] - [ 0.0134257200000000, 0.0132922300000000, -0.0681623700000000 ] - [ 0.0009155200000000, 0.0013284300000000, -0.0000878900000000 ] - [ 0.0097442100000000, 0.0086051500000000, -0.0084598000000000 ] - [ 0.0003924700000000, -0.0007630200000000, -0.0004394500000000 ] - [ -0.0003672400000000, -0.0005579900000000, 0.0004011300000000 ] - [ 0.0002253400000000, 0.0012702100000000, -0.0006061600000000 ] - [ -0.0000506100000000, -0.0001521400000000, 0.0001103200000000 ] - [ 0.0001333800000000, -0.0000569300000000, 0.0001458800000000 ] - [ 0.0000974900000000, 0.0001951000000000, 0.0001333300000000 ] - [ 0.0000691200000000, -0.0001101800000000, 0.0002884900000000 ] - [ -0.0001013800000000, -0.0001262800000000, 0.0001277000000000 ] - [ -0.0000938300000000, 0.0001095900000000, 0.0001772900000000 ] - [ -0.0001010500000000, 0.0000121700000000, 0.0000979500000000 ] - [ -0.0000158700000000, -0.0000834500000000, 0.0002716800000000 ] - [ 0.0000263400000000, 0.0000080000000000, 0.0000923400000000 ] - [ 0.0000343300000000, 0.0000173600000000, 0.0000253100000000 ] - [ -0.0000853900000000, -0.0000304000000000, 0.0002286800000000 ] - [ 0.0000308100000000, -0.0000867100000000, -0.0000381600000000 ] - [ 0.0000309300000000, 0.0003156200000000, -0.0004400400000000 ] - [ 0.0001863100000000, -0.0006320300000000, -0.0000972400000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0035285000000000, 0.0000000000000000, -0.0015537600000000 ] - [ 0.0003161500000000, 0.0002725000000000, -0.0004392700000000 ] - [ 0.0003161500000000, -0.0002725000000000, -0.0004392700000000 ] - [ -0.1190929200000000, 0.0000000000000000, 0.0251973700000000 ] - [ -0.0006815800000000, 0.0000000000000000, 0.0006309400000000 ] - [ 0.0000329700000000, 0.0000153800000000, -0.0000530700000000 ] - [ 0.0000329700000000, -0.0000153800000000, -0.0000530700000000 ] - [ 0.0008375900000000, 0.0014131900000000, 0.0033191600000000 ] - [ 0.0008375900000000, -0.0014131900000000, 0.0033191600000000 ] - [ 0.0000836000000000, 0.0000047800000000, -0.0000488300000000 ] - [ -0.0001056900000000, -0.0000449400000000, -0.0000283900000000 ] - [ 0.0000836000000000, -0.0000047800000000, -0.0000488300000000 ] - [ -0.0001056900000000, 0.0000449400000000, -0.0000283900000000 ] - [ -0.0000086600000000, 0.0000420600000000, -0.0000257100000000 ] - [ -0.0000086600000000, -0.0000420600000000, -0.0000257100000000 ] - [ 0.0002188700000000, 0.0000000000000000, -0.0000383900000000 ] - [ -0.0000310800000000, -0.0000963400000000, 0.0000640500000000 ] - [ -0.0000310800000000, 0.0000963400000000, 0.0000640500000000 ] - [ -0.0002291800000000, 0.0000000000000000, -0.0000210400000000 ] - [ -0.0001054500000000, 0.0000050300000000, 0.0000701900000000 ] - [ 0.0001081800000000, 0.0000082500000000, 0.0000887600000000 ] - [ 0.0001081800000000, -0.0000082500000000, 0.0000887600000000 ] - [ -0.0001054500000000, -0.0000050300000000, 0.0000701900000000 ] - [ 0.0001012700000000, 0.0000058100000000, 0.0000690500000000 ] - [ 0.0001012700000000, -0.0000058100000000, 0.0000690500000000 ] - [ 0.0000417600000000, 0.0000000000000000, -0.0000120600000000 ] - [ 0.0000330900000000, 0.0000802000000000, 0.0000639000000000 ] - [ 0.0000330900000000, -0.0000802000000000, 0.0000639000000000 ] - [ 0.0000280300000000, 0.0000000000000000, -0.0001020500000000 ] - [ -0.0001296800000000, 0.0000137000000000, -0.0002142400000000 ] - [ -0.0001296800000000, -0.0000137000000000, -0.0002142400000000 ] - [ -0.0000448700000000, 0.0000000000000000, -0.0000233400000000 ] - [ -0.0000459700000000, 0.0000000000000000, -0.0000210000000000 ] - [ -0.0000898100000000, 0.0000290300000000, 0.0000553400000000 ] - [ -0.0000898100000000, -0.0000290300000000, 0.0000553400000000 ] - [ 0.0002134900000000, 0.0000000000000000, -0.0000021300000000 ] - [ -0.0000187700000000, 0.0000000000000000, 0.0000877100000000 ] - [ 0.0000903000000000, 0.0000592400000000, -0.0000954200000000 ] - [ 0.0000903000000000, -0.0000592400000000, -0.0000954200000000 ] - [ 0.0001216300000000, 0.0000160200000000, -0.0001567700000000 ] - [ 0.0001216300000000, -0.0000160200000000, -0.0001567700000000 ] - [ 0.0005826600000000, 0.0006154600000000, -0.0015930100000000 ] - [ -0.0000653400000000, -0.0000435500000000, -0.0001533100000000 ] - [ 0.0005826600000000, -0.0006154600000000, -0.0015930100000000 ] - [ -0.0000653400000000, 0.0000435500000000, -0.0001533100000000 ] - [ -0.0001003300000000, 0.0000416600000000, -0.0001246500000000 ] - [ -0.0001003300000000, -0.0000416600000000, -0.0001246500000000 ] - [ 0.0000408600000000, 0.0000000000000000, -0.0000212600000000 ] - [ 0.0000550200000000, -0.0014579900000000, 0.0004529000000000 ] - [ 0.0000550200000000, 0.0014579900000000, 0.0004529000000000 ] - [ -0.0002582700000000, 0.0000000000000000, -0.0000002900000000 ] - [ -0.0001612400000000, 0.0000943500000000, 0.0001231300000000 ] - [ 0.0010143000000000, 0.0011449400000000, 0.0016104600000000 ] - [ 0.0010143000000000, -0.0011449400000000, 0.0016104600000000 ] - [ -0.0001612400000000, -0.0000943500000000, 0.0001231300000000 ] - [ 0.0000490700000000, 0.0000608700000000, 0.0001311100000000 ] - [ 0.0000490700000000, -0.0000608700000000, 0.0001311100000000 ] - [ -0.0001724500000000, 0.0000000000000000, -0.0000328800000000 ] - [ -0.0014837300000000, 0.0011979100000000, 0.0004678600000000 ] - [ -0.0014837300000000, -0.0011979100000000, 0.0004678600000000 ] - [ -0.0000683500000000, 0.0000000000000000, 0.0000182200000000 ] - [ -0.0000788500000000, -0.0000087700000000, -0.0001307600000000 ] - [ -0.0000788500000000, 0.0000087700000000, -0.0001307600000000 ] - [ 0.0000372100000000, 0.0000000000000000, 0.0001396700000000 ] - [ 0.0001074000000000, 0.0000000000000000, 0.0005463000000000 ] - [ -0.0003108500000000, 0.0000000000000000, 0.0001839200000000 ] - [ 0.0000605000000000, 0.0000329700000000, -0.0001532300000000 ] - [ 0.0000605000000000, -0.0000329700000000, -0.0001532300000000 ] - [ -0.0003794000000000, -0.0003460800000000, -0.0001907600000000 ] - [ -0.0000615600000000, -0.0000296300000000, -0.0001518000000000 ] - [ -0.0000615600000000, 0.0000296300000000, -0.0001518000000000 ] - [ 0.0000120400000000, 0.0000000000000000, 0.0001490100000000 ] - [ 0.0000894300000000, 0.0000000000000000, 0.0000533200000000 ] - [ -0.0003794000000000, 0.0003460800000000, -0.0001907600000000 ] - [ 0.0000228800000000, 0.0000000000000000, 0.0000805200000000 ] - [ -0.0000802400000000, 0.0000000000000000, 0.0000083300000000 ] - [ -0.0000823300000000, -0.0003561600000000, 0.0001298300000000 ] - [ -0.0000823300000000, 0.0003561600000000, 0.0001298300000000 ] - [ -0.0000002500000000, 0.0000050000000000, -0.0000474000000000 ] - [ 0.0001045300000000, -0.0002642200000000, -0.0002309800000000 ] - [ 0.0001045300000000, 0.0002642200000000, -0.0002309800000000 ] - [ -0.0000310400000000, 0.0000000000000000, 0.0001624200000000 ] - [ 0.0000829900000000, 0.0000000000000000, -0.0000466100000000 ] - [ -0.0000002500000000, -0.0000050000000000, -0.0000474000000000 ] - [ 0.0533249000000000, 0.0291963700000000, -0.0106360000000000 ] - [ 0.0533249000000000, -0.0291963700000000, -0.0106360000000000 ] - [ 0.0066617700000000, 0.0000000000000000, -0.0108647200000000 ] - [ -0.0000778800000000, -0.0000820700000000, -0.0000431700000000 ] - [ 0.0001225000000000, -0.0000906300000000, -0.0004799300000000 ] - [ 0.0001225000000000, 0.0000906300000000, -0.0004799300000000 ] - [ -0.0000778800000000, 0.0000820700000000, -0.0000431700000000 ] - [ 0.0001585700000000, 0.0000000000000000, 0.0001467400000000 ] - [ 0.0000854100000000, 0.0001528600000000, 0.0000991100000000 ] - [ 0.0000854100000000, -0.0001528600000000, 0.0000991100000000 ] - [ -0.0001077900000000, -0.0001106000000000, 0.0001031400000000 ] - [ -0.0001077900000000, 0.0001106000000000, 0.0001031400000000 ] - [ -0.0000940700000000, 0.0000000000000000, 0.0001077800000000 ] - [ 0.0000037600000000, -0.0000604000000000, 0.0004782300000000 ] - [ 0.0001311600000000, 0.0000653400000000, 0.0000848100000000 ] - [ 0.0001311600000000, -0.0000653400000000, 0.0000848100000000 ] - [ 0.0000037600000000, 0.0000604000000000, 0.0004782300000000 ] - [ 0.0001437100000000, 0.0000000000000000, 0.0000241500000000 ] - [ 0.0006810000000000, 0.0004092600000000, 0.0001872400000000 ] - [ 0.0006810000000000, -0.0004092600000000, 0.0001872400000000 ]- atom: 4 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0036348900000000, 0.0000000000000000, 0.0015208300000000 ] - [ -0.0004725000000000, -0.0002426300000000, 0.0005741200000000 ] - [ -0.0004725000000000, 0.0002426300000000, 0.0005741200000000 ] - [ 0.1236188200000000, 0.0000000000000000, -0.0258961600000000 ] - [ 0.0005958100000000, 0.0000000000000000, -0.0004051900000000 ] - [ 0.0000256800000000, 0.0000145400000000, -0.0000489000000000 ] - [ 0.0000256800000000, -0.0000145400000000, -0.0000489000000000 ] - [ -0.0005931300000000, -0.0013567700000000, -0.0035791900000000 ] - [ -0.0005931300000000, 0.0013567700000000, -0.0035791900000000 ] - [ 0.0000683100000000, -0.0000022000000000, -0.0000628500000000 ] - [ -0.0000392300000000, 0.0000357000000000, -0.0000753300000000 ] - [ 0.0000683100000000, 0.0000022000000000, -0.0000628500000000 ] - [ -0.0000392300000000, -0.0000357000000000, -0.0000753300000000 ] - [ -0.0000438000000000, -0.0000106700000000, -0.0000769400000000 ] - [ -0.0000438000000000, 0.0000106700000000, -0.0000769400000000 ] - [ -0.0000494100000000, 0.0000000000000000, 0.0000467000000000 ] - [ -0.0000539200000000, -0.0000691100000000, 0.0000849100000000 ] - [ -0.0000539200000000, 0.0000691100000000, 0.0000849100000000 ] - [ -0.0001705300000000, 0.0000000000000000, 0.0000809300000000 ] - [ -0.0001102200000000, 0.0000175000000000, 0.0001010700000000 ] - [ 0.0001000700000000, -0.0000006700000000, 0.0000365100000000 ] - [ 0.0001000700000000, 0.0000006700000000, 0.0000365100000000 ] - [ -0.0001102200000000, -0.0000175000000000, 0.0001010700000000 ] - [ 0.0000307600000000, 0.0001207800000000, 0.0000022100000000 ] - [ 0.0000307600000000, -0.0001207800000000, 0.0000022100000000 ] - [ 0.0001342600000000, 0.0000000000000000, -0.0000580000000000 ] - [ 0.0000208300000000, 0.0001102900000000, 0.0000630200000000 ] - [ 0.0000208300000000, -0.0001102900000000, 0.0000630200000000 ] - [ -0.0001877500000000, 0.0000000000000000, 0.0000964900000000 ] - [ -0.0000616000000000, -0.0000002900000000, -0.0000848000000000 ] - [ -0.0000616000000000, 0.0000002900000000, -0.0000848000000000 ] - [ 0.0001375200000000, 0.0000000000000000, 0.0002151100000000 ] - [ -0.0000077900000000, 0.0000000000000000, 0.0000585400000000 ] - [ -0.0002231200000000, -0.0001541700000000, 0.0002091000000000 ] - [ -0.0002231200000000, 0.0001541700000000, 0.0002091000000000 ] - [ 0.0002941800000000, 0.0000000000000000, -0.0001284500000000 ] - [ -0.0000489100000000, 0.0000000000000000, 0.0001844200000000 ] - [ 0.0000488300000000, -0.0000347700000000, -0.0000068000000000 ] - [ 0.0000488300000000, 0.0000347700000000, -0.0000068000000000 ] - [ 0.0002419000000000, 0.0000895000000000, -0.0001185100000000 ] - [ 0.0002419000000000, -0.0000895000000000, -0.0001185100000000 ] - [ -0.0004302200000000, -0.0006128500000000, 0.0014261100000000 ] - [ -0.0000735300000000, 0.0000407900000000, 0.0000216900000000 ] - [ -0.0004302200000000, 0.0006128500000000, 0.0014261100000000 ] - [ -0.0000735300000000, -0.0000407900000000, 0.0000216900000000 ] - [ -0.0000496500000000, -0.0000141100000000, 0.0000179300000000 ] - [ -0.0000496500000000, 0.0000141100000000, 0.0000179300000000 ] - [ 0.0000954400000000, 0.0000000000000000, 0.0000161500000000 ] - [ -0.0001342600000000, 0.0013132200000000, -0.0003379500000000 ] - [ -0.0001342600000000, -0.0013132200000000, -0.0003379500000000 ] - [ -0.0002025900000000, 0.0000000000000000, -0.0000401000000000 ] - [ -0.0000477100000000, -0.0000866900000000, -0.0000084400000000 ] - [ -0.0007792000000000, -0.0011280200000000, -0.0014639900000000 ] - [ -0.0007792000000000, 0.0011280200000000, -0.0014639900000000 ] - [ -0.0000477100000000, 0.0000866900000000, -0.0000084400000000 ] - [ 0.0001801600000000, -0.0000686400000000, 0.0000501300000000 ] - [ 0.0001801600000000, 0.0000686400000000, 0.0000501300000000 ] - [ 0.0003127700000000, 0.0000000000000000, -0.0000031100000000 ] - [ 0.0015831900000000, -0.0010539700000000, -0.0003453600000000 ] - [ 0.0015831900000000, 0.0010539700000000, -0.0003453600000000 ] - [ -0.0000872600000000, 0.0000000000000000, -0.0000157200000000 ] - [ -0.0001863800000000, 0.0000726200000000, -0.0001705500000000 ] - [ -0.0001863800000000, -0.0000726200000000, -0.0001705500000000 ] - [ 0.0000560100000000, 0.0000000000000000, 0.0000968600000000 ] - [ -0.0000532700000000, 0.0000000000000000, -0.0003810900000000 ] - [ 0.0001397400000000, 0.0000000000000000, -0.0001968300000000 ] - [ 0.0000600200000000, 0.0000337800000000, -0.0001423900000000 ] - [ 0.0000600200000000, -0.0000337800000000, -0.0001423900000000 ] - [ 0.0003790500000000, 0.0003219800000000, 0.0000767200000000 ] - [ -0.0000497400000000, -0.0000268600000000, -0.0001411400000000 ] - [ -0.0000497400000000, 0.0000268600000000, -0.0001411400000000 ] - [ -0.0000588900000000, 0.0000000000000000, 0.0000419800000000 ] - [ 0.0000729600000000, 0.0000000000000000, -0.0000774000000000 ] - [ 0.0003790500000000, -0.0003219800000000, 0.0000767200000000 ] - [ 0.0000288300000000, 0.0000000000000000, 0.0000992400000000 ] - [ -0.0001147200000000, 0.0000000000000000, 0.0000409200000000 ] - [ 0.0002250200000000, 0.0004240800000000, -0.0004447900000000 ] - [ 0.0002250200000000, -0.0004240800000000, -0.0004447900000000 ] - [ 0.0000328000000000, 0.0000239300000000, -0.0000636500000000 ] - [ -0.0002436800000000, 0.0002085900000000, -0.0000837300000000 ] - [ -0.0002436800000000, -0.0002085900000000, -0.0000837300000000 ] - [ -0.0000174600000000, 0.0000000000000000, 0.0000215800000000 ] - [ 0.0000946300000000, 0.0000000000000000, 0.0000588600000000 ] - [ 0.0000328000000000, -0.0000239300000000, -0.0000636500000000 ] - [ -0.0556980600000000, -0.0308232500000000, 0.0113460500000000 ] - [ -0.0556980600000000, 0.0308232500000000, 0.0113460500000000 ] - [ -0.0066824800000000, 0.0000000000000000, 0.0107308800000000 ] - [ -0.0000358600000000, -0.0000076300000000, 0.0000662300000000 ] - [ -0.0000099000000000, 0.0001512000000000, 0.0004833900000000 ] - [ -0.0000099000000000, -0.0001512000000000, 0.0004833900000000 ] - [ -0.0000358600000000, 0.0000076300000000, 0.0000662300000000 ] - [ -0.0002378000000000, 0.0000000000000000, 0.0001502300000000 ] - [ 0.0001743400000000, -0.0001116000000000, 0.0001402700000000 ] - [ 0.0001743400000000, 0.0001116000000000, 0.0001402700000000 ] - [ -0.0000457800000000, -0.0004323300000000, 0.0000022900000000 ] - [ -0.0000457800000000, 0.0004323300000000, 0.0000022900000000 ] - [ -0.0004723800000000, 0.0000000000000000, -0.0001177400000000 ] - [ -0.0001157000000000, 0.0000479900000000, -0.0005090900000000 ] - [ -0.0000022000000000, -0.0000379100000000, -0.0000678300000000 ] - [ -0.0000022000000000, 0.0000379100000000, -0.0000678300000000 ] - [ -0.0001157000000000, -0.0000479900000000, -0.0005090900000000 ] - [ 0.0000945500000000, 0.0000000000000000, 0.0001307000000000 ] - [ -0.0004962300000000, -0.0001321500000000, -0.0000048500000000 ] - [ -0.0004962300000000, 0.0001321500000000, -0.0000048500000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000967300000000, -0.0004931100000000, -0.0000612300000000 ] - [ 0.0018308100000000, -0.0003837900000000, -0.0010607700000000 ] - [ -0.0019683800000000, -0.0005015600000000, 0.0011403000000000 ] - [ 0.0013479200000000, -0.0793223200000000, -0.0000429900000000 ] - [ -0.0000622900000000, -0.0009602400000000, 0.0000870100000000 ] - [ 0.0000008800000000, 0.0000198300000000, -0.0000514600000000 ] - [ 0.0000644400000000, -0.0000149900000000, -0.0000564800000000 ] - [ 0.0005474200000000, 0.0008122800000000, 0.0030839600000000 ] - [ -0.0003759200000000, 0.0007711600000000, -0.0033186900000000 ] - [ 0.0000778500000000, -0.0000086600000000, -0.0000489300000000 ] - [ -0.0001133600000000, -0.0000513200000000, -0.0001090600000000 ] - [ 0.0000550000000000, 0.0000049500000000, -0.0000635000000000 ] - [ -0.0000457300000000, -0.0000366600000000, -0.0000033500000000 ] - [ -0.0000280200000000, 0.0000833000000000, -0.0000744600000000 ] - [ -0.0000290800000000, 0.0000504100000000, -0.0000249300000000 ] - [ 0.0000879200000000, -0.0000556900000000, 0.0000079400000000 ] - [ -0.0000236400000000, -0.0000961900000000, 0.0000670100000000 ] - [ -0.0000286100000000, 0.0001009200000000, 0.0000594700000000 ] - [ -0.0002339200000000, -0.0000080700000000, -0.0000261700000000 ] - [ -0.0001060400000000, 0.0000115000000000, 0.0000789500000000 ] - [ 0.0001086900000000, 0.0000070500000000, 0.0001042700000000 ] - [ 0.0001088400000000, -0.0000092600000000, 0.0001030000000000 ] - [ -0.0001161800000000, -0.0000076900000000, 0.0000662500000000 ] - [ 0.0001159300000000, -0.0000139700000000, 0.0000890300000000 ] - [ 0.0001144800000000, 0.0000029200000000, 0.0000807900000000 ] - [ 0.0000514200000000, -0.0000188900000000, -0.0000103800000000 ] - [ 0.0000327200000000, 0.0000968300000000, 0.0000761400000000 ] - [ 0.0000374400000000, -0.0000963000000000, 0.0000759800000000 ] - [ -0.0000847600000000, -0.0000189400000000, -0.0000049700000000 ] - [ -0.0001387700000000, 0.0000278600000000, -0.0001870200000000 ] - [ -0.0001762700000000, -0.0000376900000000, -0.0001410000000000 ] - [ 0.0000446600000000, 0.0000080600000000, 0.0001141800000000 ] - [ -0.0001192600000000, 0.0000030300000000, -0.0000768900000000 ] - [ -0.0000173900000000, 0.0001268700000000, -0.0000232900000000 ] - [ -0.0000197800000000, -0.0001308100000000, -0.0000196000000000 ] - [ 0.0001645300000000, 0.0000009000000000, 0.0000839900000000 ] - [ -0.0000642200000000, 0.0000039800000000, 0.0000683400000000 ] - [ 0.0000650900000000, 0.0000092000000000, -0.0000712400000000 ] - [ -0.0000432300000000, -0.0000206800000000, -0.0000352300000000 ] - [ 0.0000518100000000, -0.0000073900000000, -0.0001624100000000 ] - [ 0.0000351700000000, 0.0000068800000000, -0.0001661100000000 ] - [ 0.0004092900000000, 0.0002883900000000, -0.0006057300000000 ] - [ -0.0000599900000000, -0.0000365400000000, -0.0000910900000000 ] - [ -0.0002616300000000, 0.0002972200000000, 0.0004851200000000 ] - [ -0.0001015800000000, -0.0000237700000000, -0.0000282100000000 ] - [ 0.0000452200000000, 0.0000391000000000, -0.0000347500000000 ] - [ -0.0000645000000000, 0.0000080500000000, -0.0000651400000000 ] - [ 0.0000861600000000, 0.0000056100000000, 0.0000001300000000 ] - [ -0.0009473200000000, 0.0008725000000000, -0.0003658400000000 ] - [ 0.0009057300000000, 0.0010579500000000, 0.0004758500000000 ] - [ -0.0003005500000000, -0.0000036900000000, -0.0001224700000000 ] - [ -0.0000735200000000, -0.0000134000000000, 0.0000096500000000 ] - [ 0.0013998800000000, 0.0009351100000000, 0.0018386400000000 ] - [ -0.0011902900000000, 0.0009113900000000, -0.0016858800000000 ] - [ -0.0001389900000000, -0.0000216700000000, 0.0000606200000000 ] - [ 0.0002083300000000, -0.0001180200000000, 0.0001998000000000 ] - [ 0.0002033900000000, 0.0001572400000000, 0.0001842200000000 ] - [ 0.0000043900000000, 0.0001228900000000, 0.0000469100000000 ] - [ -0.0014066300000000, 0.0047100000000000, 0.0005133500000000 ] - [ 0.0014315900000000, 0.0044010000000000, -0.0003609100000000 ] - [ -0.0000747100000000, -0.0000150700000000, -0.0000024400000000 ] - [ -0.0001878300000000, 0.0000232300000000, -0.0001109800000000 ] - [ -0.0002697000000000, -0.0001187200000000, -0.0001713000000000 ] - [ 0.0000299100000000, -0.0000061700000000, 0.0001503900000000 ] - [ 0.0000178500000000, -0.0000559900000000, 0.0000969000000000 ] - [ -0.0000841300000000, 0.0001237700000000, -0.0000156500000000 ] - [ 0.0000584400000000, 0.0000324200000000, -0.0001523500000000 ] - [ 0.0000484500000000, -0.0000241100000000, -0.0001440800000000 ] - [ 0.0003106900000000, 0.0003238600000000, 0.0000286000000000 ] - [ -0.0000766900000000, -0.0000267800000000, -0.0001441600000000 ] - [ -0.0000510600000000, 0.0000384900000000, -0.0001631100000000 ] - [ -0.0000310200000000, 0.0000061200000000, 0.0000861400000000 ] - [ 0.0000813800000000, -0.0000061800000000, -0.0000027000000000 ] - [ -0.0003598100000000, 0.0003776900000000, -0.0001482600000000 ] - [ 0.0000189900000000, -0.0000022700000000, 0.0000978000000000 ] - [ -0.0000709300000000, 0.0000021400000000, -0.0000374400000000 ] - [ -0.0000256200000000, 0.0003526300000000, -0.0003631600000000 ] - [ 0.0001332300000000, 0.0002939900000000, 0.0000632500000000 ] - [ -0.0000194500000000, -0.0000179000000000, -0.0000492900000000 ] - [ -0.0000038600000000, 0.0000657800000000, -0.0000637900000000 ] - [ -0.0001265300000000, 0.0001333900000000, -0.0002446500000000 ] - [ -0.0000303400000000, 0.0000062200000000, 0.0000835500000000 ] - [ 0.0001018100000000, 0.0000106600000000, 0.0000378900000000 ] - [ -0.0000192900000000, 0.0000148300000000, -0.0000491600000000 ] - [ 0.0389620400000000, 0.0281223500000000, -0.0109596900000000 ] - [ -0.0404201200000000, 0.0286384000000000, 0.0114390000000000 ] - [ 0.0001146400000000, 0.0080581900000000, -0.0000432300000000 ] - [ -0.0001550400000000, -0.0000836500000000, -0.0000371300000000 ] - [ 0.0000197400000000, 0.0002048400000000, 0.0003576800000000 ] - [ 0.0000911400000000, 0.0001221900000000, -0.0004025000000000 ] - [ 0.0000152400000000, -0.0000166600000000, 0.0001351900000000 ] - [ 0.0001549400000000, 0.0000076100000000, 0.0000687600000000 ] - [ 0.0001140900000000, 0.0001541700000000, 0.0000696300000000 ] - [ 0.0000963700000000, -0.0001625500000000, 0.0000737500000000 ] - [ -0.0001662800000000, 0.0001442400000000, 0.0001540300000000 ] - [ -0.0001642500000000, -0.0001447100000000, 0.0001587200000000 ] - [ 0.0002332800000000, 0.0000102900000000, 0.0002592800000000 ] - [ -0.0001398300000000, -0.0000629500000000, -0.0001156500000000 ] - [ 0.0000563100000000, 0.0000799700000000, -0.0000047400000000 ] - [ 0.0000389500000000, -0.0000220600000000, -0.0000367000000000 ] - [ 0.0000073100000000, 0.0000088500000000, 0.0001682700000000 ] - [ 0.0004825600000000, 0.0000864900000000, -0.0000934300000000 ] - [ -0.0001389900000000, 0.0003667600000000, 0.0000527900000000 ] - [ 0.0002276600000000, -0.0004868700000000, -0.0000267700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006014400000000, 0.0000000000000000, -0.0010424900000000 ] - [ -0.0021556000000000, -0.0000244100000000, 0.0010545100000000 ] - [ -0.0021556000000000, 0.0000244100000000, 0.0010545100000000 ] - [ 0.0261728500000000, 0.0000000000000000, -0.1076843400000000 ] - [ 0.0010970600000000, 0.0000000000000000, 0.0010571600000000 ] - [ 0.0000114700000000, 0.0000364300000000, -0.0000718400000000 ] - [ 0.0000114700000000, -0.0000364300000000, -0.0000718400000000 ] - [ 0.0014368600000000, 0.0015369900000000, 0.0013591500000000 ] - [ 0.0014368600000000, -0.0015369900000000, 0.0013591500000000 ] - [ 0.0000674100000000, -0.0000179400000000, -0.0000772900000000 ] - [ -0.0000097400000000, 0.0000621000000000, -0.0000849200000000 ] - [ 0.0000674100000000, 0.0000179400000000, -0.0000772900000000 ] - [ -0.0000097400000000, -0.0000621000000000, -0.0000849200000000 ] - [ -0.0000375800000000, -0.0000383800000000, -0.0000419400000000 ] - [ -0.0000375800000000, 0.0000383800000000, -0.0000419400000000 ] - [ -0.0000771900000000, 0.0000000000000000, 0.0000103700000000 ] - [ -0.0000354700000000, -0.0000837700000000, 0.0000655500000000 ] - [ -0.0000354700000000, 0.0000837700000000, 0.0000655500000000 ] - [ -0.0002114000000000, 0.0000000000000000, -0.0000094900000000 ] - [ -0.0001123100000000, -0.0000008100000000, 0.0001034600000000 ] - [ 0.0001118200000000, 0.0000119300000000, 0.0000636100000000 ] - [ 0.0001118200000000, -0.0000119300000000, 0.0000636100000000 ] - [ -0.0001123100000000, 0.0000008100000000, 0.0001034600000000 ] - [ 0.0000732600000000, 0.0000321000000000, 0.0000567300000000 ] - [ 0.0000732600000000, -0.0000321000000000, 0.0000567300000000 ] - [ 0.0000629900000000, 0.0000000000000000, -0.0000261800000000 ] - [ 0.0000276300000000, 0.0000810800000000, 0.0000633800000000 ] - [ 0.0000276300000000, -0.0000810800000000, 0.0000633800000000 ] - [ -0.0000481000000000, 0.0000000000000000, -0.0000539100000000 ] - [ -0.0001327800000000, 0.0000293900000000, -0.0001571000000000 ] - [ -0.0001327800000000, -0.0000293900000000, -0.0001571000000000 ] - [ 0.0000749400000000, 0.0000000000000000, 0.0001008000000000 ] - [ -0.0000543500000000, 0.0000000000000000, 0.0000023500000000 ] - [ -0.0001022700000000, -0.0000160700000000, 0.0000885400000000 ] - [ -0.0001022700000000, 0.0000160700000000, 0.0000885400000000 ] - [ 0.0002260200000000, 0.0000000000000000, -0.0000343400000000 ] - [ -0.0000634800000000, 0.0000000000000000, 0.0001150400000000 ] - [ 0.0000509800000000, -0.0000486400000000, -0.0000778600000000 ] - [ 0.0000509800000000, 0.0000486400000000, -0.0000778600000000 ] - [ 0.0001354000000000, 0.0000268700000000, -0.0001552700000000 ] - [ 0.0001354000000000, -0.0000268700000000, -0.0001552700000000 ] - [ -0.0006041200000000, -0.0007334800000000, 0.0011758300000000 ] - [ -0.0000830200000000, -0.0000139100000000, -0.0000306500000000 ] - [ -0.0006041200000000, 0.0007334800000000, 0.0011758300000000 ] - [ -0.0000830200000000, 0.0000139100000000, -0.0000306500000000 ] - [ 0.0000393400000000, -0.0000457600000000, -0.0000168600000000 ] - [ 0.0000393400000000, 0.0000457600000000, -0.0000168600000000 ] - [ 0.0000974500000000, 0.0000000000000000, 0.0000109200000000 ] - [ -0.0001053300000000, -0.0001393600000000, -0.0005096100000000 ] - [ -0.0001053300000000, 0.0001393600000000, -0.0005096100000000 ] - [ -0.0002227500000000, 0.0000000000000000, -0.0000347400000000 ] - [ -0.0000832900000000, -0.0000132300000000, 0.0000967800000000 ] - [ 0.0040343300000000, 0.0027302400000000, 0.0023567400000000 ] - [ 0.0040343300000000, -0.0027302400000000, 0.0023567400000000 ] - [ -0.0000832900000000, 0.0000132300000000, 0.0000967800000000 ] - [ 0.0001212200000000, 0.0000108300000000, 0.0000293400000000 ] - [ 0.0001212200000000, -0.0000108300000000, 0.0000293400000000 ] - [ 0.0001944000000000, 0.0000000000000000, -0.0000708200000000 ] - [ 0.0000467700000000, -0.0003248900000000, -0.0002167300000000 ] - [ 0.0000467700000000, 0.0003248900000000, -0.0002167300000000 ] - [ -0.0000742300000000, 0.0000000000000000, -0.0000100800000000 ] - [ -0.0001465500000000, 0.0000695800000000, -0.0002307600000000 ] - [ -0.0001465500000000, -0.0000695800000000, -0.0002307600000000 ] - [ 0.0000463300000000, 0.0000000000000000, 0.0000827600000000 ] - [ 0.0001846900000000, 0.0000000000000000, 0.0001372200000000 ] - [ 0.0005440600000000, 0.0000000000000000, 0.0003679600000000 ] - [ 0.0000517600000000, 0.0000522300000000, -0.0001494300000000 ] - [ 0.0000517600000000, -0.0000522300000000, -0.0001494300000000 ] - [ 0.0002642500000000, 0.0004930200000000, 0.0000261200000000 ] - [ -0.0000562000000000, -0.0000105800000000, -0.0001564100000000 ] - [ -0.0000562000000000, 0.0000105800000000, -0.0001564100000000 ] - [ 0.0000557900000000, 0.0000000000000000, -0.0000429600000000 ] - [ 0.0000795000000000, 0.0000000000000000, 0.0000115400000000 ] - [ 0.0002642500000000, -0.0004930200000000, 0.0000261200000000 ] - [ 0.0000246800000000, 0.0000000000000000, 0.0000965300000000 ] - [ -0.0000891000000000, 0.0000000000000000, 0.0000015000000000 ] - [ 0.0001220500000000, -0.0001318500000000, -0.0002340400000000 ] - [ 0.0001220500000000, 0.0001318500000000, -0.0002340400000000 ] - [ 0.0000049600000000, 0.0000047300000000, -0.0000610700000000 ] - [ -0.0002290400000000, 0.0000399300000000, -0.0001189400000000 ] - [ -0.0002290400000000, -0.0000399300000000, -0.0001189400000000 ] - [ -0.0000195300000000, 0.0000000000000000, 0.0000583300000000 ] - [ 0.0000636100000000, 0.0000000000000000, 0.0000202800000000 ] - [ 0.0000049600000000, -0.0000047300000000, -0.0000610700000000 ] - [ -0.0036995300000000, -0.0056555000000000, 0.0071530300000000 ] - [ -0.0036995300000000, 0.0056555000000000, 0.0071530300000000 ] - [ -0.0261918200000000, 0.0000000000000000, 0.0827582400000000 ] - [ -0.0000380900000000, 0.0000151600000000, 0.0000629500000000 ] - [ 0.0000053300000000, 0.0002928400000000, 0.0003173900000000 ] - [ 0.0000053300000000, -0.0002928400000000, 0.0003173900000000 ] - [ -0.0000380900000000, -0.0000151600000000, 0.0000629500000000 ] - [ 0.0000681700000000, 0.0000000000000000, 0.0001428100000000 ] - [ 0.0001015100000000, 0.0000994800000000, 0.0000768000000000 ] - [ 0.0001015100000000, -0.0000994800000000, 0.0000768000000000 ] - [ -0.0000856500000000, -0.0001991300000000, 0.0000652200000000 ] - [ -0.0000856500000000, 0.0001991300000000, 0.0000652200000000 ] - [ -0.0001704200000000, 0.0000000000000000, 0.0000737000000000 ] - [ -0.0000590400000000, -0.0000917700000000, -0.0000742400000000 ] - [ -0.0000282100000000, 0.0000749000000000, -0.0000185500000000 ] - [ -0.0000282100000000, -0.0000749000000000, -0.0000185500000000 ] - [ -0.0000590400000000, 0.0000917700000000, -0.0000742400000000 ] - [ -0.0000221800000000, 0.0000000000000000, 0.0001386300000000 ] - [ -0.0000772500000000, -0.0001894400000000, 0.0001799700000000 ] - [ -0.0000772500000000, 0.0001894400000000, 0.0001799700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007951200000000, 0.0000000000000000, 0.0009664600000000 ] - [ 0.0019673900000000, 0.0000676600000000, -0.0009154400000000 ] - [ 0.0019673900000000, -0.0000676600000000, -0.0009154400000000 ] - [ -0.0249727600000000, 0.0000000000000000, 0.1038500600000000 ] - [ -0.0011692800000000, 0.0000000000000000, -0.0007927600000000 ] - [ 0.0000232700000000, -0.0000058400000000, -0.0000371400000000 ] - [ 0.0000232700000000, 0.0000058400000000, -0.0000371400000000 ] - [ -0.0011785600000000, -0.0014812900000000, -0.0016488800000000 ] - [ -0.0011785600000000, 0.0014812900000000, -0.0016488800000000 ] - [ 0.0000765000000000, -0.0000011800000000, -0.0000548800000000 ] - [ -0.0001370000000000, -0.0000774900000000, -0.0000616300000000 ] - [ 0.0000765000000000, 0.0000011800000000, -0.0000548800000000 ] - [ -0.0001370000000000, 0.0000774900000000, -0.0000616300000000 ] - [ 0.0000044500000000, 0.0000695700000000, -0.0000660200000000 ] - [ 0.0000044500000000, -0.0000695700000000, -0.0000660200000000 ] - [ 0.0002257400000000, 0.0000000000000000, -0.0000161300000000 ] - [ -0.0000129800000000, -0.0001112400000000, 0.0000487200000000 ] - [ -0.0000129800000000, 0.0001112400000000, 0.0000487200000000 ] - [ -0.0002375600000000, 0.0000000000000000, -0.0000361800000000 ] - [ -0.0001004700000000, 0.0000153300000000, 0.0000162400000000 ] - [ 0.0001016400000000, 0.0000124200000000, 0.0000658500000000 ] - [ 0.0001016400000000, -0.0000124200000000, 0.0000658500000000 ] - [ -0.0001004700000000, -0.0000153300000000, 0.0000162400000000 ] - [ 0.0001336700000000, -0.0000298700000000, 0.0001041700000000 ] - [ 0.0001336700000000, 0.0000298700000000, 0.0001041700000000 ] - [ 0.0000544100000000, 0.0000000000000000, -0.0000341800000000 ] - [ 0.0000221300000000, 0.0000914100000000, 0.0000521000000000 ] - [ 0.0000221300000000, -0.0000914100000000, 0.0000521000000000 ] - [ -0.0001117700000000, 0.0000000000000000, 0.0000709300000000 ] - [ -0.0001199800000000, 0.0000311400000000, -0.0001477100000000 ] - [ -0.0001199800000000, -0.0000311400000000, -0.0001477100000000 ] - [ 0.0000156700000000, 0.0000000000000000, 0.0001376000000000 ] - [ -0.0000751800000000, 0.0000000000000000, -0.0000496600000000 ] - [ -0.0000867300000000, 0.0000557400000000, 0.0000566700000000 ] - [ -0.0000867300000000, -0.0000557400000000, 0.0000566700000000 ] - [ 0.0002061700000000, 0.0000000000000000, 0.0000206700000000 ] - [ -0.0000425500000000, 0.0000000000000000, 0.0001034100000000 ] - [ -0.0000385600000000, 0.0000763700000000, -0.0000239100000000 ] - [ -0.0000385600000000, -0.0000763700000000, -0.0000239100000000 ] - [ 0.0001048000000000, 0.0000041900000000, -0.0001560900000000 ] - [ 0.0001048000000000, -0.0000041900000000, -0.0001560900000000 ] - [ 0.0007773200000000, 0.0007437100000000, -0.0013256200000000 ] - [ -0.0000692500000000, -0.0000007200000000, -0.0000821600000000 ] - [ 0.0007773200000000, -0.0007437100000000, -0.0013256200000000 ] - [ -0.0000692500000000, 0.0000007200000000, -0.0000821600000000 ] - [ -0.0000530700000000, 0.0000878000000000, -0.0000833000000000 ] - [ -0.0000530700000000, -0.0000878000000000, -0.0000833000000000 ] - [ 0.0000712800000000, 0.0000000000000000, -0.0000102600000000 ] - [ 0.0000499600000000, -0.0000369200000000, 0.0006370900000000 ] - [ 0.0000499600000000, 0.0000369200000000, 0.0006370900000000 ] - [ -0.0002227100000000, 0.0000000000000000, 0.0000016600000000 ] - [ -0.0001294700000000, 0.0000347900000000, 0.0000497200000000 ] - [ -0.0039063100000000, -0.0027797000000000, -0.0022675100000000 ] - [ -0.0039063100000000, 0.0027797000000000, -0.0022675100000000 ] - [ -0.0001294700000000, -0.0000347900000000, 0.0000497200000000 ] - [ 0.0000878000000000, 0.0000045000000000, 0.0001266500000000 ] - [ 0.0000878000000000, -0.0000045000000000, 0.0001266500000000 ] - [ -0.0000762200000000, 0.0000000000000000, 0.0000257200000000 ] - [ 0.0000113700000000, 0.0005190100000000, 0.0003470700000000 ] - [ 0.0000113700000000, -0.0005190100000000, 0.0003470700000000 ] - [ -0.0000759800000000, 0.0000000000000000, 0.0000156200000000 ] - [ -0.0001155200000000, -0.0000155700000000, -0.0000698500000000 ] - [ -0.0001155200000000, 0.0000155700000000, -0.0000698500000000 ] - [ 0.0000439200000000, 0.0000000000000000, 0.0001434300000000 ] - [ -0.0001373300000000, 0.0000000000000000, 0.0000587300000000 ] - [ -0.0006880700000000, 0.0000000000000000, -0.0003897700000000 ] - [ 0.0000626800000000, 0.0000092200000000, -0.0001492100000000 ] - [ 0.0000626800000000, -0.0000092200000000, -0.0001492100000000 ] - [ -0.0002699000000000, -0.0004985000000000, -0.0001537300000000 ] - [ -0.0000594800000000, -0.0000510200000000, -0.0001462200000000 ] - [ -0.0000594800000000, 0.0000510200000000, -0.0001462200000000 ] - [ -0.0001011300000000, 0.0000000000000000, 0.0002194600000000 ] - [ 0.0000877900000000, 0.0000000000000000, -0.0000145200000000 ] - [ -0.0002699000000000, 0.0004985000000000, -0.0001537300000000 ] - [ 0.0000215200000000, 0.0000000000000000, 0.0000850700000000 ] - [ -0.0000789700000000, 0.0000000000000000, -0.0000053200000000 ] - [ -0.0000112400000000, 0.0001863900000000, -0.0000560300000000 ] - [ -0.0000112400000000, -0.0001863900000000, -0.0000560300000000 ] - [ -0.0000060900000000, -0.0000095000000000, -0.0000539600000000 ] - [ 0.0001206100000000, -0.0001082900000000, -0.0001806000000000 ] - [ 0.0001206100000000, 0.0001082900000000, -0.0001806000000000 ] - [ -0.0000294100000000, 0.0000000000000000, 0.0001223600000000 ] - [ 0.0001066200000000, 0.0000000000000000, -0.0000249300000000 ] - [ -0.0000060900000000, 0.0000095000000000, -0.0000539600000000 ] - [ 0.0037971000000000, 0.0057472500000000, -0.0069881900000000 ] - [ 0.0037971000000000, -0.0057472500000000, -0.0069881900000000 ] - [ 0.0247777200000000, 0.0000000000000000, -0.0784862300000000 ] - [ -0.0000823600000000, -0.0000949000000000, -0.0000302100000000 ] - [ 0.0001111600000000, -0.0001996000000000, -0.0002688500000000 ] - [ 0.0001111600000000, 0.0001996000000000, -0.0002688500000000 ] - [ -0.0000823600000000, 0.0000949000000000, -0.0000302100000000 ] - [ 0.0001524700000000, 0.0000000000000000, 0.0000184100000000 ] - [ 0.0001048700000000, 0.0001738200000000, 0.0000955500000000 ] - [ 0.0001048700000000, -0.0001738200000000, 0.0000955500000000 ] - [ -0.0001223900000000, -0.0000359900000000, 0.0001237400000000 ] - [ -0.0001223900000000, 0.0000359900000000, 0.0001237400000000 ] - [ -0.0000121300000000, 0.0000000000000000, 0.0001159800000000 ] - [ -0.0000595000000000, -0.0000110700000000, 0.0001226000000000 ] - [ 0.0001439000000000, 0.0000340600000000, 0.0000365600000000 ] - [ 0.0001439000000000, -0.0000340600000000, 0.0000365600000000 ] - [ -0.0000595000000000, 0.0000110700000000, 0.0001226000000000 ] - [ 0.0001947100000000, 0.0000000000000000, 0.0000605000000000 ] - [ 0.0002923200000000, 0.0004380200000000, 0.0000063200000000 ] - [ 0.0002923200000000, -0.0004380200000000, 0.0000063200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001430200000000, 0.0000000000000000, -0.0000594300000000 ] - [ 0.0011627900000000, 0.0010249000000000, 0.0039973700000000 ] - [ 0.0011627900000000, -0.0010249000000000, 0.0039973700000000 ] - [ -0.0004039700000000, 0.0000000000000000, 0.0011156400000000 ] - [ -0.0460410900000000, 0.0000000000000000, 0.0103284200000000 ] - [ -0.0011492000000000, -0.0006345800000000, -0.0001878600000000 ] - [ -0.0011492000000000, 0.0006345800000000, -0.0001878600000000 ] - [ 0.0030305200000000, 0.0039974100000000, -0.0059767500000000 ] - [ 0.0030305200000000, -0.0039974100000000, -0.0059767500000000 ] - [ 0.0001010200000000, 0.0000737800000000, -0.0002104500000000 ] - [ 0.0007606000000000, 0.0008132700000000, 0.0016504500000000 ] - [ 0.0001010200000000, -0.0000737800000000, -0.0002104500000000 ] - [ 0.0007606000000000, -0.0008132700000000, 0.0016504500000000 ] - [ 0.0000510500000000, -0.0008709100000000, 0.0002920500000000 ] - [ 0.0000510500000000, 0.0008709100000000, 0.0002920500000000 ] - [ 0.0118009300000000, 0.0000000000000000, 0.0009187100000000 ] - [ 0.0000038200000000, -0.0000302800000000, -0.0000113200000000 ] - [ 0.0000038200000000, 0.0000302800000000, -0.0000113200000000 ] - [ -0.0002659400000000, 0.0000000000000000, 0.0000204300000000 ] - [ 0.0001379100000000, 0.0003359100000000, -0.0011277300000000 ] - [ 0.0001027800000000, -0.0000755000000000, -0.0000047500000000 ] - [ 0.0001027800000000, 0.0000755000000000, -0.0000047500000000 ] - [ 0.0001379100000000, -0.0003359100000000, -0.0011277300000000 ] - [ 0.0000286600000000, 0.0001456800000000, -0.0000857800000000 ] - [ 0.0000286600000000, -0.0001456800000000, -0.0000857800000000 ] - [ 0.0002052600000000, 0.0000000000000000, -0.0001447300000000 ] - [ 0.0000033000000000, 0.0001781900000000, -0.0000059800000000 ] - [ 0.0000033000000000, -0.0001781900000000, -0.0000059800000000 ] - [ -0.0001065900000000, 0.0000000000000000, -0.0000002700000000 ] - [ -0.0000890500000000, -0.0000337800000000, -0.0001601900000000 ] - [ -0.0000890500000000, 0.0000337800000000, -0.0001601900000000 ] - [ 0.0000531800000000, 0.0000000000000000, 0.0000918800000000 ] - [ -0.0000541400000000, 0.0000000000000000, -0.0000245200000000 ] - [ -0.0001776200000000, -0.0001011900000000, 0.0001580900000000 ] - [ -0.0001776200000000, 0.0001011900000000, 0.0001580900000000 ] - [ 0.0003006000000000, 0.0000000000000000, -0.0001093800000000 ] - [ -0.0000259900000000, 0.0000000000000000, 0.0001689100000000 ] - [ 0.0000012700000000, 0.0000378400000000, -0.0000345600000000 ] - [ 0.0000012700000000, -0.0000378400000000, -0.0000345600000000 ] - [ 0.0002014600000000, 0.0000726800000000, -0.0001326900000000 ] - [ 0.0002014600000000, -0.0000726800000000, -0.0001326900000000 ] - [ 0.0000690200000000, -0.0000266500000000, -0.0000172800000000 ] - [ -0.0000687300000000, 0.0000041900000000, -0.0000476900000000 ] - [ 0.0000690200000000, 0.0000266500000000, -0.0000172800000000 ] - [ -0.0000687300000000, -0.0000041900000000, -0.0000476900000000 ] - [ -0.0000092000000000, 0.0000203200000000, -0.0000371000000000 ] - [ -0.0000092000000000, -0.0000203200000000, -0.0000371000000000 ] - [ 0.0000796000000000, 0.0000000000000000, 0.0000255900000000 ] - [ 0.0000805800000000, -0.0001740300000000, 0.0001370500000000 ] - [ 0.0000805800000000, 0.0001740300000000, 0.0001370500000000 ] - [ -0.0002074600000000, 0.0000000000000000, 0.0000174200000000 ] - [ -0.0001116500000000, -0.0000022500000000, 0.0000823000000000 ] - [ 0.0001027100000000, 0.0000662000000000, 0.0002519100000000 ] - [ 0.0001027100000000, -0.0000662000000000, 0.0002519100000000 ] - [ -0.0001116500000000, 0.0000022500000000, 0.0000823000000000 ] - [ 0.0001197700000000, 0.0000385400000000, 0.0000630900000000 ] - [ 0.0001197700000000, -0.0000385400000000, 0.0000630900000000 ] - [ 0.0000972100000000, 0.0000000000000000, -0.0000397600000000 ] - [ -0.0000187700000000, 0.0000737900000000, 0.0000751800000000 ] - [ -0.0000187700000000, -0.0000737900000000, 0.0000751800000000 ] - [ -0.0001408600000000, 0.0000000000000000, -0.0000101600000000 ] - [ -0.0000792100000000, -0.0000259300000000, -0.0001794300000000 ] - [ -0.0000792100000000, 0.0000259300000000, -0.0001794300000000 ] - [ -0.0001132800000000, 0.0000000000000000, 0.0001248000000000 ] - [ 0.0000260500000000, 0.0000000000000000, 0.0000505200000000 ] - [ -0.0005521800000000, 0.0000000000000000, -0.0001261000000000 ] - [ 0.0002583400000000, -0.0000808600000000, -0.0000964900000000 ] - [ 0.0002583400000000, 0.0000808600000000, -0.0000964900000000 ] - [ 0.0000298700000000, -0.0002353200000000, 0.0001837000000000 ] - [ -0.0003060300000000, -0.0000900500000000, -0.0001290500000000 ] - [ -0.0003060300000000, 0.0000900500000000, -0.0001290500000000 ] - [ 0.0063699000000000, 0.0000000000000000, -0.0038444400000000 ] - [ 0.0000825500000000, 0.0000000000000000, -0.0000286200000000 ] - [ 0.0000298700000000, 0.0002353200000000, 0.0001837000000000 ] - [ 0.0000277600000000, 0.0000000000000000, 0.0000029800000000 ] - [ -0.0000921400000000, 0.0000000000000000, 0.0000322600000000 ] - [ 0.0000717100000000, 0.0000647200000000, -0.0001561700000000 ] - [ 0.0000717100000000, -0.0000647200000000, -0.0001561700000000 ] - [ 0.0000257000000000, 0.0000348100000000, -0.0000578700000000 ] - [ -0.0000623600000000, -0.0000054400000000, -0.0001557000000000 ] - [ -0.0000623600000000, 0.0000054400000000, -0.0001557000000000 ] - [ -0.0000246800000000, 0.0000000000000000, 0.0000967900000000 ] - [ 0.0000978600000000, 0.0000000000000000, 0.0000052200000000 ] - [ 0.0000257000000000, -0.0000348100000000, -0.0000578700000000 ] - [ -0.0003845000000000, -0.0001834800000000, -0.0005200500000000 ] - [ -0.0003845000000000, 0.0001834800000000, -0.0005200500000000 ] - [ 0.0082204500000000, 0.0000000000000000, -0.0035830600000000 ] - [ -0.0007003300000000, -0.0016588900000000, 0.0001427500000000 ] - [ 0.0072379100000000, 0.0028953100000000, -0.0013771900000000 ] - [ 0.0072379100000000, -0.0028953100000000, -0.0013771900000000 ] - [ -0.0007003300000000, 0.0016588900000000, 0.0001427500000000 ] - [ -0.0002810300000000, 0.0000000000000000, 0.0003275700000000 ] - [ 0.0002749100000000, -0.0002635400000000, 0.0007048600000000 ] - [ 0.0002749100000000, 0.0002635400000000, 0.0007048600000000 ] - [ -0.0000901400000000, -0.0002527700000000, 0.0001005500000000 ] - [ -0.0000901400000000, 0.0002527700000000, 0.0001005500000000 ] - [ -0.0003361800000000, 0.0000000000000000, 0.0000148700000000 ] - [ -0.0000638200000000, -0.0000452400000000, -0.0000360200000000 ] - [ 0.0000863900000000, 0.0000578000000000, 0.0000397400000000 ] - [ 0.0000863900000000, -0.0000578000000000, 0.0000397400000000 ] - [ -0.0000638200000000, 0.0000452400000000, -0.0000360200000000 ] - [ -0.0001344300000000, 0.0000000000000000, 0.0001921400000000 ] - [ 0.0001493100000000, -0.0000315500000000, 0.0000871600000000 ] - [ 0.0001493100000000, 0.0000315500000000, 0.0000871600000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000265800000000, 0.0000000000000000, 0.0000268800000000 ] - [ -0.0013859800000000, -0.0010383700000000, -0.0038936500000000 ] - [ -0.0013859800000000, 0.0010383700000000, -0.0038936500000000 ] - [ 0.0008713500000000, 0.0000000000000000, -0.0011566100000000 ] - [ 0.0455416500000000, 0.0000000000000000, -0.0102529400000000 ] - [ 0.0012202100000000, 0.0006376300000000, 0.0000718600000000 ] - [ 0.0012202100000000, -0.0006376300000000, 0.0000718600000000 ] - [ -0.0027586200000000, -0.0038808900000000, 0.0056345400000000 ] - [ -0.0027586200000000, 0.0038808900000000, 0.0056345400000000 ] - [ 0.0000450800000000, -0.0000726900000000, 0.0000329200000000 ] - [ -0.0008961200000000, -0.0008115000000000, -0.0017949500000000 ] - [ 0.0000450800000000, 0.0000726900000000, 0.0000329200000000 ] - [ -0.0008961200000000, 0.0008115000000000, -0.0017949500000000 ] - [ -0.0001572000000000, 0.0008951900000000, -0.0004157700000000 ] - [ -0.0001572000000000, -0.0008951900000000, -0.0004157700000000 ] - [ -0.0113953800000000, 0.0000000000000000, -0.0008996700000000 ] - [ -0.0000755600000000, -0.0001243400000000, 0.0001101800000000 ] - [ -0.0000755600000000, 0.0001243400000000, 0.0001101800000000 ] - [ -0.0002275800000000, 0.0000000000000000, -0.0001262400000000 ] - [ -0.0003471900000000, -0.0003110700000000, 0.0012223100000000 ] - [ 0.0001089300000000, 0.0000716100000000, 0.0000881700000000 ] - [ 0.0001089300000000, -0.0000716100000000, 0.0000881700000000 ] - [ -0.0003471900000000, 0.0003110700000000, 0.0012223100000000 ] - [ 0.0002449600000000, -0.0001967000000000, 0.0003108000000000 ] - [ 0.0002449600000000, 0.0001967000000000, 0.0003108000000000 ] - [ -0.0001067100000000, 0.0000000000000000, 0.0001414100000000 ] - [ 0.0000769100000000, 0.0000169500000000, 0.0001103100000000 ] - [ 0.0000769100000000, -0.0000169500000000, 0.0001103100000000 ] - [ -0.0000509700000000, 0.0000000000000000, 0.0000053500000000 ] - [ -0.0002080100000000, 0.0000932200000000, -0.0001332200000000 ] - [ -0.0002080100000000, -0.0000932200000000, -0.0001332200000000 ] - [ 0.0000388800000000, 0.0000000000000000, 0.0001725400000000 ] - [ -0.0000761400000000, 0.0000000000000000, -0.0000236900000000 ] - [ -0.0000619800000000, 0.0000557000000000, 0.0000506200000000 ] - [ -0.0000619800000000, -0.0000557000000000, 0.0000506200000000 ] - [ 0.0001902700000000, 0.0000000000000000, 0.0000266200000000 ] - [ -0.0000667900000000, 0.0000000000000000, 0.0001136600000000 ] - [ 0.0000399900000000, 0.0000043700000000, -0.0000491700000000 ] - [ 0.0000399900000000, -0.0000043700000000, -0.0000491700000000 ] - [ 0.0000663000000000, 0.0000146700000000, -0.0001500500000000 ] - [ 0.0000663000000000, -0.0000146700000000, -0.0001500500000000 ] - [ 0.0000840700000000, 0.0000290000000000, -0.0000725700000000 ] - [ -0.0000778600000000, -0.0000160000000000, -0.0000297600000000 ] - [ 0.0000840700000000, -0.0000290000000000, -0.0000725700000000 ] - [ -0.0000778600000000, 0.0000160000000000, -0.0000297600000000 ] - [ -0.0000268500000000, 0.0000064000000000, -0.0000468000000000 ] - [ -0.0000268500000000, -0.0000064000000000, -0.0000468000000000 ] - [ 0.0000878700000000, 0.0000000000000000, 0.0000271900000000 ] - [ -0.0001584100000000, 0.0000095900000000, 0.0000189200000000 ] - [ -0.0001584100000000, -0.0000095900000000, 0.0000189200000000 ] - [ -0.0001671500000000, 0.0000000000000000, 0.0000655400000000 ] - [ -0.0001095500000000, 0.0000301900000000, 0.0001377900000000 ] - [ 0.0001082300000000, -0.0000683700000000, -0.0000828400000000 ] - [ 0.0001082300000000, 0.0000683700000000, -0.0000828400000000 ] - [ -0.0001095500000000, -0.0000301900000000, 0.0001377900000000 ] - [ -0.0000174800000000, 0.0001364200000000, -0.0000405100000000 ] - [ -0.0000174800000000, -0.0001364200000000, -0.0000405100000000 ] - [ 0.0000783000000000, 0.0000000000000000, -0.0000457900000000 ] - [ 0.0000771400000000, 0.0001435400000000, 0.0000686000000000 ] - [ 0.0000771400000000, -0.0001435400000000, 0.0000686000000000 ] - [ -0.0000014700000000, 0.0000000000000000, -0.0000241200000000 ] - [ -0.0000920500000000, 0.0000265100000000, -0.0001305100000000 ] - [ -0.0000920500000000, -0.0000265100000000, -0.0001305100000000 ] - [ 0.0001911700000000, 0.0000000000000000, 0.0000302900000000 ] - [ 0.0000230900000000, 0.0000000000000000, 0.0001261100000000 ] - [ 0.0003924900000000, 0.0000000000000000, 0.0001286600000000 ] - [ -0.0001305900000000, 0.0001482500000000, -0.0002058400000000 ] - [ -0.0001305900000000, -0.0001482500000000, -0.0002058400000000 ] - [ -0.0000090100000000, 0.0002556900000000, -0.0002914200000000 ] - [ 0.0001814200000000, 0.0000311100000000, -0.0001759400000000 ] - [ 0.0001814200000000, -0.0000311100000000, -0.0001759400000000 ] - [ -0.0067455700000000, 0.0000000000000000, 0.0042778200000000 ] - [ 0.0001053400000000, 0.0000000000000000, 0.0000539800000000 ] - [ -0.0000090100000000, -0.0002556900000000, -0.0002914200000000 ] - [ 0.0000224600000000, 0.0000000000000000, 0.0001611500000000 ] - [ -0.0000801100000000, 0.0000000000000000, -0.0000192900000000 ] - [ 0.0000484100000000, -0.0000012000000000, -0.0001426400000000 ] - [ 0.0000484100000000, 0.0000012000000000, -0.0001426400000000 ] - [ -0.0000266200000000, -0.0000347000000000, -0.0000705700000000 ] - [ -0.0000512600000000, -0.0000524200000000, -0.0001424100000000 ] - [ -0.0000512600000000, 0.0000524200000000, -0.0001424100000000 ] - [ -0.0000236400000000, 0.0000000000000000, 0.0000926300000000 ] - [ 0.0000530900000000, 0.0000000000000000, -0.0000508300000000 ] - [ -0.0000266200000000, 0.0000347000000000, -0.0000705700000000 ] - [ 0.0001651600000000, -0.0000521000000000, 0.0006826800000000 ] - [ 0.0001651600000000, 0.0000521000000000, 0.0006826800000000 ] - [ -0.0085286900000000, 0.0000000000000000, 0.0037656000000000 ] - [ 0.0005832800000000, 0.0015430200000000, -0.0001642200000000 ] - [ -0.0067960200000000, -0.0029825300000000, 0.0014495100000000 ] - [ -0.0067960200000000, 0.0029825300000000, 0.0014495100000000 ] - [ 0.0005832800000000, -0.0015430200000000, -0.0001642200000000 ] - [ 0.0006664600000000, 0.0000000000000000, -0.0002396500000000 ] - [ -0.0001002100000000, 0.0006764200000000, -0.0005692500000000 ] - [ -0.0001002100000000, -0.0006764200000000, -0.0005692500000000 ] - [ -0.0001090800000000, -0.0000876300000000, 0.0000609300000000 ] - [ -0.0001090800000000, 0.0000876300000000, 0.0000609300000000 ] - [ 0.0000676800000000, 0.0000000000000000, 0.0001353900000000 ] - [ -0.0000452100000000, -0.0000452900000000, 0.0000623400000000 ] - [ 0.0000282000000000, 0.0000346200000000, -0.0000159300000000 ] - [ 0.0000282000000000, -0.0000346200000000, -0.0000159300000000 ] - [ -0.0000452100000000, 0.0000452900000000, 0.0000623400000000 ] - [ -0.0000605800000000, 0.0000000000000000, 0.0001903600000000 ] - [ 0.0001496500000000, -0.0000564900000000, 0.0001543600000000 ] - [ 0.0001496500000000, 0.0000564900000000, 0.0001543600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000584700000000, -0.0000548500000000, -0.0000370600000000 ] - [ 0.0011491900000000, 0.0009766200000000, 0.0030984600000000 ] - [ -0.0013576300000000, 0.0009271400000000, -0.0030152600000000 ] - [ 0.0002194100000000, -0.0009525100000000, -0.0000117900000000 ] - [ -0.0003307300000000, -0.0328729100000000, 0.0002036500000000 ] - [ 0.0017520400000000, 0.0050319600000000, -0.0001523700000000 ] - [ -0.0018573900000000, 0.0048493700000000, 0.0000496900000000 ] - [ 0.0037562600000000, 0.0031644400000000, -0.0064823700000000 ] - [ -0.0034919700000000, 0.0031126400000000, 0.0060608000000000 ] - [ -0.0000049000000000, 0.0000249500000000, 0.0001501100000000 ] - [ 0.0009992600000000, 0.0008106500000000, 0.0016262400000000 ] - [ 0.0001633900000000, 0.0000487100000000, -0.0002166900000000 ] - [ -0.0011590400000000, 0.0008438400000000, -0.0016688600000000 ] - [ -0.0017576600000000, 0.0010073000000000, -0.0003166700000000 ] - [ 0.0019509400000000, 0.0009801800000000, 0.0002064600000000 ] - [ 0.0000742400000000, -0.0012073800000000, 0.0000012300000000 ] - [ -0.0000585600000000, -0.0000537100000000, -0.0000112100000000 ] - [ 0.0000049400000000, 0.0001421300000000, 0.0001587300000000 ] - [ -0.0002040900000000, 0.0000282700000000, 0.0000206400000000 ] - [ 0.0000472900000000, -0.0000079300000000, -0.0005902300000000 ] - [ 0.0001009500000000, 0.0000932000000000, 0.0002550800000000 ] - [ 0.0001154000000000, 0.0000744800000000, -0.0000243400000000 ] - [ -0.0002633700000000, -0.0000421300000000, 0.0008039900000000 ] - [ 0.0000712700000000, 0.0000590100000000, 0.0000091600000000 ] - [ 0.0000730900000000, -0.0000781900000000, 0.0000506800000000 ] - [ 0.0000877400000000, 0.0000027200000000, -0.0000387700000000 ] - [ 0.0000556500000000, 0.0001298000000000, 0.0000334600000000 ] - [ 0.0000069200000000, -0.0000789000000000, 0.0001217400000000 ] - [ -0.0000842300000000, -0.0000338600000000, -0.0000166900000000 ] - [ -0.0000952600000000, -0.0000135100000000, -0.0001880800000000 ] - [ -0.0001245300000000, -0.0000174100000000, -0.0001889600000000 ] - [ 0.0000513800000000, -0.0000268800000000, 0.0000843100000000 ] - [ -0.0000952800000000, 0.0000000800000000, -0.0000607000000000 ] - [ -0.0000479800000000, 0.0000937900000000, 0.0000153700000000 ] - [ -0.0000538600000000, -0.0000838000000000, -0.0000035900000000 ] - [ 0.0001862900000000, -0.0000004000000000, 0.0000383300000000 ] - [ -0.0000550000000000, 0.0000277200000000, 0.0000858300000000 ] - [ 0.0000256100000000, 0.0000190100000000, -0.0000546100000000 ] - [ -0.0000863600000000, -0.0000120300000000, -0.0000597400000000 ] - [ 0.0000876100000000, 0.0000278100000000, -0.0001717800000000 ] - [ 0.0000659900000000, 0.0000110400000000, -0.0001775100000000 ] - [ 0.0000797200000000, -0.0000188300000000, -0.0000583700000000 ] - [ -0.0000745000000000, 0.0000050100000000, -0.0000590100000000 ] - [ 0.0000755800000000, -0.0000049000000000, -0.0000630100000000 ] - [ -0.0000846500000000, 0.0000161200000000, -0.0000776200000000 ] - [ 0.0000941400000000, 0.0000219400000000, -0.0000555000000000 ] - [ -0.0000256400000000, -0.0000189200000000, -0.0000553000000000 ] - [ 0.0000821000000000, 0.0000323700000000, -0.0000026400000000 ] - [ 0.0000137500000000, 0.0000645900000000, -0.0000557900000000 ] - [ -0.0000597100000000, 0.0002585600000000, 0.0001541800000000 ] - [ -0.0002428600000000, 0.0000011100000000, -0.0000338500000000 ] - [ -0.0000929300000000, 0.0000351900000000, 0.0000188200000000 ] - [ 0.0000186200000000, 0.0000025400000000, 0.0001365900000000 ] - [ 0.0001934100000000, -0.0000260100000000, 0.0000105000000000 ] - [ -0.0001195600000000, 0.0000132000000000, 0.0000830400000000 ] - [ 0.0000853700000000, -0.0000328000000000, 0.0000585900000000 ] - [ 0.0001429000000000, -0.0000131200000000, 0.0001136900000000 ] - [ 0.0000587300000000, 0.0000263200000000, -0.0000170200000000 ] - [ -0.0000226000000000, 0.0000681000000000, 0.0000510500000000 ] - [ 0.0000743600000000, -0.0000954300000000, 0.0000514500000000 ] - [ -0.0000878600000000, 0.0004940000000000, -0.0000039500000000 ] - [ -0.0002309400000000, 0.0001233100000000, -0.0001724600000000 ] - [ -0.0000374200000000, 0.0000721400000000, -0.0001934700000000 ] - [ 0.0000565200000000, 0.0003262700000000, 0.0001075500000000 ] - [ 0.0000216600000000, 0.0000108400000000, 0.0000892500000000 ] - [ -0.0000758400000000, 0.0004578400000000, -0.0000162300000000 ] - [ 0.0000469900000000, -0.0001552100000000, 0.0001329200000000 ] - [ 0.0000339400000000, -0.0002106400000000, -0.0004020200000000 ] - [ 0.0000836400000000, -0.0003018600000000, 0.0001428300000000 ] - [ 0.0000459400000000, -0.0002372800000000, -0.0000517000000000 ] - [ -0.0001273000000000, -0.0001827300000000, -0.0002231300000000 ] - [ -0.0000019800000000, 0.0014547100000000, 0.0000887000000000 ] - [ 0.0000726500000000, -0.0000004100000000, -0.0000295000000000 ] - [ -0.0000905200000000, -0.0002932200000000, -0.0002653100000000 ] - [ 0.0000200600000000, -0.0001892300000000, 0.0000999400000000 ] - [ -0.0000681900000000, -0.0000039000000000, -0.0000345500000000 ] - [ 0.0000398000000000, 0.0000365000000000, -0.0001096600000000 ] - [ 0.0000619900000000, -0.0000249100000000, -0.0001717500000000 ] - [ -0.0000100400000000, -0.0000119300000000, 0.0000093000000000 ] - [ -0.0000424900000000, -0.0000190700000000, -0.0000845500000000 ] - [ -0.0000616300000000, 0.0000392200000000, -0.0002013000000000 ] - [ -0.0000260300000000, -0.0000140200000000, 0.0000925500000000 ] - [ 0.0000819200000000, -0.0001038400000000, -0.0000087600000000 ] - [ 0.0000016600000000, -0.0000070100000000, -0.0001049000000000 ] - [ 0.0002513400000000, -0.0005350000000000, -0.0004599700000000 ] - [ -0.0004613500000000, -0.0003287900000000, 0.0006550600000000 ] - [ -0.0000562800000000, 0.0084565400000000, 0.0000683600000000 ] - [ 0.0003416800000000, 0.0002750600000000, -0.0006778000000000 ] - [ 0.0043203100000000, 0.0015848500000000, 0.0012156600000000 ] - [ -0.0040681800000000, 0.0016899900000000, -0.0011695300000000 ] - [ -0.0004635600000000, 0.0004938800000000, 0.0007824500000000 ] - [ -0.0000259100000000, 0.0000078900000000, 0.0001564400000000 ] - [ 0.0000899800000000, 0.0001263700000000, -0.0002271000000000 ] - [ 0.0001800500000000, 0.0000971100000000, 0.0004376400000000 ] - [ -0.0001512800000000, 0.0000111500000000, 0.0000662300000000 ] - [ -0.0001609500000000, -0.0001281100000000, 0.0001975500000000 ] - [ 0.0001353700000000, -0.0000232000000000, 0.0002068900000000 ] - [ -0.0000687000000000, -0.0000989800000000, 0.0000373700000000 ] - [ 0.0000486300000000, 0.0001204500000000, 0.0000122300000000 ] - [ 0.0000715800000000, -0.0000561400000000, -0.0000157200000000 ] - [ -0.0000727700000000, 0.0000394100000000, 0.0000115500000000 ] - [ 0.0001578000000000, -0.0002747300000000, 0.0000579300000000 ] - [ 0.0001437500000000, 0.0001827400000000, -0.0000357500000000 ] - [ 0.0000272200000000, -0.0001855800000000, 0.0002042500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004754400000000, 0.0000000000000000, -0.0002241700000000 ] - [ 0.0015091000000000, 0.0012846800000000, 0.0025732100000000 ] - [ 0.0015091000000000, -0.0012846800000000, 0.0025732100000000 ] - [ 0.0007795000000000, 0.0000000000000000, 0.0008228500000000 ] - [ 0.0102877300000000, 0.0000000000000000, -0.0413960400000000 ] - [ 0.0000584500000000, 0.0006298700000000, 0.0000990900000000 ] - [ 0.0000584500000000, -0.0006298700000000, 0.0000990900000000 ] - [ -0.0048142900000000, -0.0053779600000000, 0.0064436400000000 ] - [ -0.0048142900000000, 0.0053779600000000, 0.0064436400000000 ] - [ 0.0000056000000000, -0.0001689400000000, -0.0002479300000000 ] - [ 0.0025186000000000, 0.0023440300000000, 0.0016728900000000 ] - [ 0.0000056000000000, 0.0001689400000000, -0.0002479300000000 ] - [ 0.0025186000000000, -0.0023440300000000, 0.0016728900000000 ] - [ 0.0002469300000000, -0.0002587300000000, -0.0007601500000000 ] - [ 0.0002469300000000, 0.0002587300000000, -0.0007601500000000 ] - [ 0.0001394400000000, 0.0000000000000000, -0.0007878000000000 ] - [ -0.0000031300000000, -0.0001831900000000, 0.0002482600000000 ] - [ -0.0000031300000000, 0.0001831900000000, 0.0002482600000000 ] - [ -0.0000604000000000, 0.0000000000000000, 0.0000247700000000 ] - [ -0.0005325000000000, -0.0004317900000000, 0.0015345200000000 ] - [ 0.0001168700000000, 0.0001156600000000, 0.0001639300000000 ] - [ 0.0001168700000000, -0.0001156600000000, 0.0001639300000000 ] - [ -0.0005325000000000, 0.0004317900000000, 0.0015345200000000 ] - [ 0.0001071000000000, 0.0000205200000000, 0.0001718900000000 ] - [ 0.0001071000000000, -0.0000205200000000, 0.0001718900000000 ] - [ -0.0002091100000000, 0.0000000000000000, 0.0000321100000000 ] - [ 0.0000065500000000, 0.0000035200000000, 0.0001667700000000 ] - [ 0.0000065500000000, -0.0000035200000000, 0.0001667700000000 ] - [ -0.0000799500000000, 0.0000000000000000, 0.0000163700000000 ] - [ -0.0001274900000000, -0.0000316100000000, -0.0001263100000000 ] - [ -0.0001274900000000, 0.0000316100000000, -0.0001263100000000 ] - [ 0.0000406500000000, 0.0000000000000000, 0.0001300500000000 ] - [ 0.0000030800000000, 0.0000000000000000, -0.0000022700000000 ] - [ -0.0000784200000000, 0.0000262200000000, 0.0000914500000000 ] - [ -0.0000784200000000, -0.0000262200000000, 0.0000914500000000 ] - [ 0.0002033800000000, 0.0000000000000000, -0.0000028300000000 ] - [ -0.0000393700000000, 0.0000000000000000, 0.0001370800000000 ] - [ -0.0000104600000000, 0.0000327800000000, -0.0000535900000000 ] - [ -0.0000104600000000, -0.0000327800000000, -0.0000535900000000 ] - [ 0.0001130900000000, -0.0000014700000000, -0.0001272700000000 ] - [ 0.0001130900000000, 0.0000014700000000, -0.0001272700000000 ] - [ 0.0000767600000000, -0.0000259800000000, 0.0000536200000000 ] - [ -0.0000676000000000, -0.0000143300000000, -0.0000012400000000 ] - [ 0.0000767600000000, 0.0000259800000000, 0.0000536200000000 ] - [ -0.0000676000000000, 0.0000143300000000, -0.0000012400000000 ] - [ 0.0000159300000000, 0.0000147800000000, -0.0000444600000000 ] - [ 0.0000159300000000, -0.0000147800000000, -0.0000444600000000 ] - [ 0.0000854500000000, 0.0000000000000000, 0.0000174800000000 ] - [ -0.0000974100000000, -0.0002597200000000, 0.0001481500000000 ] - [ -0.0000974100000000, 0.0002597200000000, 0.0001481500000000 ] - [ -0.0002221500000000, 0.0000000000000000, 0.0000114200000000 ] - [ -0.0001100100000000, -0.0000170000000000, 0.0001198300000000 ] - [ 0.0002111600000000, 0.0000301200000000, 0.0002017600000000 ] - [ 0.0002111600000000, -0.0000301200000000, 0.0002017600000000 ] - [ -0.0001100100000000, 0.0000170000000000, 0.0001198300000000 ] - [ 0.0000624400000000, 0.0001018100000000, 0.0000045100000000 ] - [ 0.0000624400000000, -0.0001018100000000, 0.0000045100000000 ] - [ 0.0001242600000000, 0.0000000000000000, -0.0000704400000000 ] - [ 0.0001390300000000, 0.0001283900000000, 0.0001180800000000 ] - [ 0.0001390300000000, -0.0001283900000000, 0.0001180800000000 ] - [ -0.0000144600000000, 0.0000000000000000, -0.0000611500000000 ] - [ -0.0001630700000000, 0.0001055500000000, -0.0001754400000000 ] - [ -0.0001630700000000, -0.0001055500000000, -0.0001754400000000 ] - [ 0.0000150500000000, 0.0000000000000000, 0.0000893800000000 ] - [ 0.0000209500000000, 0.0000000000000000, -0.0000041800000000 ] - [ 0.0000298100000000, 0.0000000000000000, 0.0003563000000000 ] - [ 0.0000402800000000, 0.0004494000000000, -0.0002378600000000 ] - [ 0.0000402800000000, -0.0004494000000000, -0.0002378600000000 ] - [ -0.0000885600000000, 0.0003855000000000, -0.0003041100000000 ] - [ -0.0001634500000000, 0.0004579400000000, -0.0000749600000000 ] - [ -0.0001634500000000, -0.0004579400000000, -0.0000749600000000 ] - [ -0.0038789400000000, 0.0000000000000000, 0.0038645500000000 ] - [ 0.0000699700000000, 0.0000000000000000, -0.0000699500000000 ] - [ -0.0000885600000000, -0.0003855000000000, -0.0003041100000000 ] - [ 0.0000344600000000, 0.0000000000000000, 0.0001463100000000 ] - [ -0.0000727500000000, 0.0000000000000000, -0.0000319700000000 ] - [ 0.0000862800000000, 0.0000715100000000, -0.0002009200000000 ] - [ 0.0000862800000000, -0.0000715100000000, -0.0002009200000000 ] - [ 0.0000181600000000, 0.0000308800000000, -0.0001712200000000 ] - [ -0.0000860000000000, 0.0000069500000000, -0.0002200400000000 ] - [ -0.0000860000000000, -0.0000069500000000, -0.0002200400000000 ] - [ -0.0000240900000000, 0.0000000000000000, 0.0000479100000000 ] - [ 0.0000421000000000, 0.0000000000000000, 0.0000160200000000 ] - [ 0.0000181600000000, -0.0000308800000000, -0.0001712200000000 ] - [ -0.0001129700000000, 0.0007141000000000, -0.0001559100000000 ] - [ -0.0001129700000000, -0.0007141000000000, -0.0001559100000000 ] - [ -0.0012639100000000, 0.0000000000000000, 0.0045410700000000 ] - [ -0.0001519700000000, 0.0001041400000000, -0.0003511900000000 ] - [ -0.0016479500000000, 0.0023388500000000, 0.0061635900000000 ] - [ -0.0016479500000000, -0.0023388500000000, 0.0061635900000000 ] - [ -0.0001519700000000, -0.0001041400000000, -0.0003511900000000 ] - [ 0.0003775700000000, 0.0000000000000000, -0.0001897400000000 ] - [ -0.0000874600000000, 0.0002748100000000, -0.0006322100000000 ] - [ -0.0000874600000000, -0.0002748100000000, -0.0006322100000000 ] - [ -0.0000932800000000, -0.0002942400000000, 0.0000065900000000 ] - [ -0.0000932800000000, 0.0002942400000000, 0.0000065900000000 ] - [ -0.0001639400000000, 0.0000000000000000, 0.0000175300000000 ] - [ -0.0000666400000000, -0.0000555700000000, -0.0000766000000000 ] - [ 0.0000736400000000, 0.0000742900000000, -0.0000370000000000 ] - [ 0.0000736400000000, -0.0000742900000000, -0.0000370000000000 ] - [ -0.0000666400000000, 0.0000555700000000, -0.0000766000000000 ] - [ 0.0001225200000000, 0.0000000000000000, 0.0002181000000000 ] - [ 0.0001609900000000, -0.0002028500000000, 0.0001922500000000 ] - [ 0.0001609900000000, 0.0002028500000000, 0.0001922500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004008000000000, 0.0000000000000000, 0.0002275600000000 ] - [ -0.0018209100000000, -0.0013961400000000, -0.0023567400000000 ] - [ -0.0018209100000000, 0.0013961400000000, -0.0023567400000000 ] - [ -0.0002934300000000, 0.0000000000000000, -0.0009540900000000 ] - [ -0.0102933500000000, 0.0000000000000000, 0.0426230200000000 ] - [ -0.0000132900000000, -0.0006126800000000, -0.0001937300000000 ] - [ -0.0000132900000000, 0.0006126800000000, -0.0001937300000000 ] - [ 0.0052369600000000, 0.0055674800000000, -0.0068386900000000 ] - [ 0.0052369600000000, -0.0055674800000000, -0.0068386900000000 ] - [ 0.0001410800000000, 0.0001485000000000, 0.0001319900000000 ] - [ -0.0026162100000000, -0.0023185100000000, -0.0017564500000000 ] - [ 0.0001410800000000, -0.0001485000000000, 0.0001319900000000 ] - [ -0.0026162100000000, 0.0023185100000000, -0.0017564500000000 ] - [ -0.0003006600000000, 0.0002920400000000, 0.0006545900000000 ] - [ -0.0003006600000000, -0.0002920400000000, 0.0006545900000000 ] - [ -0.0000195000000000, 0.0000000000000000, 0.0007946600000000 ] - [ -0.0000386200000000, -0.0000071100000000, -0.0001228800000000 ] - [ -0.0000386200000000, 0.0000071100000000, -0.0001228800000000 ] - [ -0.0003527200000000, 0.0000000000000000, -0.0000244000000000 ] - [ 0.0003125100000000, 0.0004490100000000, -0.0013752000000000 ] - [ 0.0000974800000000, -0.0000930200000000, -0.0000125700000000 ] - [ 0.0000974800000000, 0.0000930200000000, -0.0000125700000000 ] - [ 0.0003125100000000, -0.0004490100000000, -0.0013752000000000 ] - [ 0.0000702200000000, 0.0000388900000000, -0.0000560400000000 ] - [ 0.0000702200000000, -0.0000388900000000, -0.0000560400000000 ] - [ 0.0003369600000000, 0.0000000000000000, -0.0001023200000000 ] - [ 0.0000357500000000, 0.0001773000000000, -0.0000428100000000 ] - [ 0.0000357500000000, -0.0001773000000000, -0.0000428100000000 ] - [ -0.0000828000000000, 0.0000000000000000, -0.0000129200000000 ] - [ -0.0000996300000000, 0.0000625400000000, -0.0001958700000000 ] - [ -0.0000996300000000, -0.0000625400000000, -0.0001958700000000 ] - [ 0.0000638400000000, 0.0000000000000000, 0.0000838600000000 ] - [ -0.0001052200000000, 0.0000000000000000, -0.0000576500000000 ] - [ -0.0000978400000000, 0.0000239400000000, 0.0000332600000000 ] - [ -0.0000978400000000, -0.0000239400000000, 0.0000332600000000 ] - [ 0.0002132800000000, 0.0000000000000000, -0.0000039600000000 ] - [ -0.0000594400000000, 0.0000000000000000, 0.0000856600000000 ] - [ 0.0000145300000000, -0.0000054800000000, -0.0000521100000000 ] - [ 0.0000145300000000, 0.0000054800000000, -0.0000521100000000 ] - [ 0.0001272400000000, 0.0000309500000000, -0.0001899700000000 ] - [ 0.0001272400000000, -0.0000309500000000, -0.0001899700000000 ] - [ 0.0000774100000000, 0.0000132600000000, -0.0001666900000000 ] - [ -0.0000799900000000, -0.0000138000000000, -0.0001056200000000 ] - [ 0.0000774100000000, -0.0000132600000000, -0.0001666900000000 ] - [ -0.0000799900000000, 0.0000138000000000, -0.0001056200000000 ] - [ -0.0000161800000000, 0.0000228500000000, -0.0000597900000000 ] - [ -0.0000161800000000, -0.0000228500000000, -0.0000597900000000 ] - [ 0.0000802000000000, 0.0000000000000000, -0.0000087000000000 ] - [ 0.0000439100000000, 0.0001083400000000, -0.0000127400000000 ] - [ 0.0000439100000000, -0.0001083400000000, -0.0000127400000000 ] - [ -0.0001686400000000, 0.0000000000000000, 0.0000230400000000 ] - [ -0.0001030400000000, 0.0000539100000000, 0.0000554100000000 ] - [ -0.0000033800000000, -0.0000237300000000, -0.0000873900000000 ] - [ -0.0000033800000000, 0.0000237300000000, -0.0000873900000000 ] - [ -0.0001030400000000, -0.0000539100000000, 0.0000554100000000 ] - [ 0.0000867200000000, 0.0000058600000000, 0.0000718300000000 ] - [ 0.0000867200000000, -0.0000058600000000, 0.0000718300000000 ] - [ 0.0000099200000000, 0.0000000000000000, 0.0000023000000000 ] - [ -0.0001030000000000, 0.0000804000000000, 0.0000046000000000 ] - [ -0.0001030000000000, -0.0000804000000000, 0.0000046000000000 ] - [ -0.0001533100000000, 0.0000000000000000, 0.0000610900000000 ] - [ -0.0000464600000000, -0.0001062300000000, -0.0001335400000000 ] - [ -0.0000464600000000, 0.0001062300000000, -0.0001335400000000 ] - [ 0.0000883100000000, 0.0000000000000000, 0.0001095100000000 ] - [ 0.0000298000000000, 0.0000000000000000, 0.0001839600000000 ] - [ -0.0002085100000000, 0.0000000000000000, -0.0003334000000000 ] - [ 0.0000826800000000, -0.0003877000000000, -0.0000616000000000 ] - [ 0.0000826800000000, 0.0003877000000000, -0.0000616000000000 ] - [ 0.0001115300000000, -0.0003671700000000, 0.0001914100000000 ] - [ 0.0000446300000000, -0.0005183600000000, -0.0002274800000000 ] - [ 0.0000446300000000, 0.0005183600000000, -0.0002274800000000 ] - [ 0.0036684500000000, 0.0000000000000000, -0.0036143300000000 ] - [ 0.0000935000000000, 0.0000000000000000, 0.0000576000000000 ] - [ 0.0001115300000000, 0.0003671700000000, 0.0001914100000000 ] - [ 0.0000170500000000, 0.0000000000000000, 0.0000314900000000 ] - [ -0.0000901100000000, 0.0000000000000000, 0.0000232700000000 ] - [ 0.0000341800000000, -0.0000059400000000, -0.0000957500000000 ] - [ 0.0000341800000000, 0.0000059400000000, -0.0000957500000000 ] - [ -0.0000121400000000, -0.0000297900000000, 0.0000616400000000 ] - [ -0.0000225100000000, -0.0000626200000000, -0.0000778100000000 ] - [ -0.0000225100000000, 0.0000626200000000, -0.0000778100000000 ] - [ -0.0000212400000000, 0.0000000000000000, 0.0001370200000000 ] - [ 0.0001246500000000, 0.0000000000000000, -0.0000330400000000 ] - [ -0.0000121400000000, 0.0000297900000000, 0.0000616400000000 ] - [ -0.0000669800000000, -0.0011576000000000, 0.0002704900000000 ] - [ -0.0000669800000000, 0.0011576000000000, 0.0002704900000000 ] - [ 0.0007804400000000, 0.0000000000000000, -0.0053194500000000 ] - [ 0.0000469800000000, -0.0001709300000000, 0.0003355400000000 ] - [ 0.0017552400000000, -0.0022884600000000, -0.0061036900000000 ] - [ 0.0017552400000000, 0.0022884600000000, -0.0061036900000000 ] - [ 0.0000469800000000, 0.0001709300000000, 0.0003355400000000 ] - [ -0.0002805900000000, 0.0000000000000000, 0.0004067400000000 ] - [ 0.0003214600000000, -0.0001254900000000, 0.0008366200000000 ] - [ 0.0003214600000000, 0.0001254900000000, 0.0008366200000000 ] - [ -0.0001247200000000, 0.0000935400000000, 0.0001882900000000 ] - [ -0.0001247200000000, -0.0000935400000000, 0.0001882900000000 ] - [ 0.0000142200000000, 0.0000000000000000, 0.0001857200000000 ] - [ -0.0000453000000000, -0.0000423600000000, 0.0000935900000000 ] - [ 0.0000410600000000, 0.0000254100000000, 0.0000582900000000 ] - [ 0.0000410600000000, -0.0000254100000000, 0.0000582900000000 ] - [ -0.0000453000000000, 0.0000423600000000, 0.0000935900000000 ] - [ -0.0001084600000000, 0.0000000000000000, 0.0000474900000000 ] - [ 0.0000872100000000, 0.0002984300000000, 0.0000277300000000 ] - [ 0.0000872100000000, -0.0002984300000000, 0.0000277300000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000883100000000, 0.0000075300000000, 0.0000124900000000 ] - [ -0.0000002000000000, 0.0000410100000000, 0.0000099800000000 ] - [ 0.0004167000000000, 0.0005372700000000, 0.0011723800000000 ] - [ 0.0002020000000000, -0.0000161300000000, 0.0000167200000000 ] - [ -0.0012322100000000, 0.0018305100000000, 0.0001330700000000 ] - [ -0.1214195100000000, 0.0069797800000000, -0.0072038000000000 ] - [ -0.0002992200000000, 0.0000009200000000, 0.0000785000000000 ] - [ 0.0012533100000000, -0.0007822300000000, -0.0024027900000000 ] - [ -0.0000965700000000, 0.0000253600000000, -0.0000733800000000 ] - [ 0.0000186600000000, -0.0001003800000000, -0.0001379700000000 ] - [ 0.0013366800000000, -0.0004214500000000, 0.0030625500000000 ] - [ 0.0011673900000000, 0.0004620900000000, 0.0024404400000000 ] - [ -0.0000841200000000, 0.0000496300000000, -0.0000943600000000 ] - [ -0.0002535900000000, -0.0000411500000000, -0.0000440400000000 ] - [ 0.0099803500000000, -0.0005109500000000, 0.0012616000000000 ] - [ -0.0000474000000000, -0.0031139500000000, -0.0000816400000000 ] - [ -0.0000137000000000, -0.0000957000000000, 0.0000463300000000 ] - [ 0.0001334000000000, 0.0000937400000000, 0.0000899100000000 ] - [ -0.0002816500000000, -0.0000065900000000, -0.0000762700000000 ] - [ -0.0000819700000000, 0.0000428300000000, 0.0001145700000000 ] - [ 0.0009498200000000, -0.0007845700000000, -0.0020991700000000 ] - [ 0.0001046700000000, -0.0000702300000000, 0.0000582700000000 ] - [ 0.0006679500000000, 0.0004383300000000, -0.0010807600000000 ] - [ 0.0001221900000000, -0.0000053600000000, 0.0000743800000000 ] - [ 0.0000977000000000, 0.0000045500000000, 0.0000425200000000 ] - [ 0.0000472400000000, -0.0000088000000000, 0.0000016400000000 ] - [ 0.0000138100000000, 0.0001096800000000, 0.0000531900000000 ] - [ 0.0000596700000000, -0.0000877000000000, -0.0001156500000000 ] - [ -0.0000858900000000, 0.0000134200000000, 0.0000088400000000 ] - [ -0.0001342700000000, 0.0000542500000000, -0.0001605600000000 ] - [ -0.0001210000000000, -0.0000386200000000, -0.0001453700000000 ] - [ 0.0000567400000000, 0.0000095700000000, 0.0001291000000000 ] - [ -0.0001078500000000, -0.0000265000000000, -0.0000794200000000 ] - [ -0.0001535800000000, -0.0000170000000000, 0.0000512400000000 ] - [ -0.0001358200000000, 0.0000131500000000, 0.0000757800000000 ] - [ 0.0002838500000000, 0.0000020300000000, -0.0000011100000000 ] - [ -0.0000491400000000, -0.0000079100000000, 0.0001456000000000 ] - [ 0.0000316100000000, 0.0000091900000000, -0.0000460200000000 ] - [ 0.0000226000000000, -0.0000211100000000, -0.0000494400000000 ] - [ 0.0001389700000000, 0.0000465100000000, -0.0001296300000000 ] - [ 0.0001579100000000, -0.0000709500000000, -0.0001744100000000 ] - [ 0.0000728200000000, 0.0000095800000000, -0.0000381900000000 ] - [ -0.0000807400000000, -0.0000077500000000, -0.0000380600000000 ] - [ 0.0000817200000000, 0.0000070400000000, -0.0000424400000000 ] - [ -0.0000763000000000, -0.0000026200000000, -0.0000227700000000 ] - [ -0.0000236000000000, 0.0000076400000000, -0.0000491400000000 ] - [ -0.0000305100000000, -0.0000120600000000, -0.0000444300000000 ] - [ 0.0000751500000000, -0.0000053000000000, 0.0000127900000000 ] - [ 0.0000580100000000, -0.0000197000000000, 0.0000197800000000 ] - [ -0.0000047700000000, 0.0000724300000000, 0.0000790800000000 ] - [ -0.0001935800000000, -0.0000119800000000, 0.0000197600000000 ] - [ -0.0001285200000000, 0.0000450200000000, 0.0001231300000000 ] - [ 0.0001010600000000, 0.0000077000000000, 0.0000767400000000 ] - [ 0.0001163100000000, -0.0000043500000000, 0.0000733300000000 ] - [ -0.0001002100000000, -0.0000238500000000, 0.0000827800000000 ] - [ 0.0013589800000000, -0.0011161600000000, 0.0018553900000000 ] - [ 0.0000566400000000, 0.0000801100000000, 0.0001035300000000 ] - [ 0.0000021200000000, 0.0000303500000000, -0.0000399400000000 ] - [ 0.0000130100000000, 0.0000981700000000, 0.0001346400000000 ] - [ 0.0000178000000000, -0.0001215700000000, 0.0000811600000000 ] - [ -0.0022491400000000, -0.0013305700000000, 0.0002276600000000 ] - [ 0.0002365500000000, -0.0000166600000000, -0.0000169100000000 ] - [ 0.0003648400000000, 0.0004110400000000, -0.0016926000000000 ] - [ 0.0001372200000000, 0.0018538600000000, -0.0001736400000000 ] - [ 0.0000234100000000, -0.0000010700000000, 0.0000896100000000 ] - [ -0.0001788400000000, -0.0000151200000000, 0.0002266700000000 ] - [ 0.0000727800000000, 0.0000448400000000, -0.0001532300000000 ] - [ 0.0009431400000000, -0.0004481200000000, 0.0042730400000000 ] - [ 0.0001085500000000, -0.0000117900000000, -0.0000649600000000 ] - [ -0.0000616800000000, -0.0000000800000000, -0.0002098900000000 ] - [ -0.0002419200000000, -0.0001353600000000, -0.0008818300000000 ] - [ -0.0005048300000000, -0.0004032800000000, 0.0000019000000000 ] - [ 0.0000928500000000, -0.0000061700000000, 0.0000124600000000 ] - [ -0.0000152200000000, 0.0000063500000000, -0.0000722800000000 ] - [ -0.0004231700000000, 0.0007886300000000, 0.0001001900000000 ] - [ -0.0000996100000000, 0.0000052900000000, 0.0000286500000000 ] - [ 0.0000739300000000, 0.0000139900000000, -0.0001859500000000 ] - [ 0.0000724200000000, -0.0000242000000000, -0.0001592100000000 ] - [ 0.0000004900000000, 0.0000047400000000, -0.0000568200000000 ] - [ -0.0000692900000000, -0.0000440600000000, -0.0001602800000000 ] - [ -0.0000731100000000, 0.0000381900000000, -0.0001652500000000 ] - [ -0.0000247900000000, 0.0000039700000000, 0.0000764700000000 ] - [ 0.0002318700000000, 0.0001214300000000, -0.0001422900000000 ] - [ 0.0000353500000000, -0.0000120700000000, -0.0000733400000000 ] - [ -0.0001176600000000, 0.0001165300000000, 0.0001115800000000 ] - [ -0.0000788700000000, 0.0001934300000000, -0.0002925700000000 ] - [ 0.0003300100000000, -0.0000380400000000, -0.0001555700000000 ] - [ 0.0008255600000000, 0.0004978300000000, -0.0001871300000000 ] - [ 0.0010359500000000, -0.0003635900000000, 0.0001331300000000 ] - [ 0.0504404300000000, -0.0315829700000000, 0.0001718700000000 ] - [ 0.0547903600000000, 0.0270596600000000, 0.0000781600000000 ] - [ 0.0001069300000000, 0.0000170900000000, 0.0000361100000000 ] - [ 0.0002810900000000, 0.0001808700000000, 0.0006425000000000 ] - [ 0.0001148100000000, -0.0001522200000000, 0.0001140400000000 ] - [ 0.0001545600000000, -0.0001652100000000, 0.0007775700000000 ] - [ -0.0000966100000000, 0.0001690500000000, 0.0000816600000000 ] - [ -0.0001159300000000, 0.0000154200000000, 0.0000964700000000 ] - [ -0.0000592000000000, -0.0000300100000000, 0.0000065100000000 ] - [ 0.0000498000000000, 0.0000196000000000, 0.0000173200000000 ] - [ 0.0000685500000000, -0.0000323900000000, -0.0000238800000000 ] - [ -0.0000679900000000, 0.0000183300000000, -0.0000112300000000 ] - [ -0.0003799500000000, 0.0003818400000000, 0.0004349700000000 ] - [ 0.0000600000000000, 0.0000121400000000, 0.0003066900000000 ] - [ 0.0003137500000000, -0.0007379200000000, -0.0004368200000000 ]- atom: 6 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000274000000000, 0.0000002200000000, -0.0000681500000000 ] - [ -0.0001837200000000, 0.0000184200000000, 0.0001105600000000 ] - [ -0.0005986100000000, -0.0006152400000000, -0.0010909200000000 ] - [ 0.0002169200000000, 0.0000255700000000, -0.0000185800000000 ] - [ 0.0011128800000000, -0.0017942600000000, 0.0000730300000000 ] - [ 0.1174837800000000, -0.0068712300000000, 0.0070804600000000 ] - [ 0.0002848000000000, -0.0000289800000000, -0.0001712600000000 ] - [ -0.0010196500000000, 0.0008044800000000, 0.0020719700000000 ] - [ 0.0003361500000000, -0.0000449700000000, -0.0002632600000000 ] - [ 0.0001347000000000, 0.0000747300000000, 0.0000534200000000 ] - [ -0.0014870100000000, 0.0003991200000000, -0.0031434800000000 ] - [ -0.0010271400000000, -0.0004547800000000, -0.0025156500000000 ] - [ -0.0000692900000000, -0.0000154200000000, 0.0000149900000000 ] - [ 0.0002626000000000, 0.0000729900000000, -0.0000469700000000 ] - [ -0.0098914400000000, 0.0004545300000000, -0.0013428100000000 ] - [ 0.0002246800000000, 0.0030648300000000, 0.0000831900000000 ] - [ -0.0000270100000000, -0.0000701700000000, 0.0000839000000000 ] - [ -0.0001838500000000, 0.0000756000000000, 0.0000566800000000 ] - [ -0.0001365400000000, 0.0000048500000000, 0.0000637000000000 ] - [ -0.0001313200000000, -0.0000153700000000, 0.0000728600000000 ] - [ -0.0007368200000000, 0.0008196500000000, 0.0023228100000000 ] - [ 0.0001059100000000, 0.0000565500000000, 0.0001131300000000 ] - [ -0.0008848500000000, -0.0004882700000000, 0.0013024900000000 ] - [ 0.0000725500000000, 0.0000475700000000, 0.0000486000000000 ] - [ 0.0000959600000000, -0.0000348500000000, 0.0000968700000000 ] - [ 0.0000514500000000, 0.0000039100000000, -0.0000440100000000 ] - [ 0.0000232100000000, 0.0000807400000000, 0.0000739600000000 ] - [ -0.0000140500000000, -0.0000978800000000, 0.0002564500000000 ] - [ -0.0000886900000000, -0.0000004700000000, -0.0000036300000000 ] - [ -0.0001039800000000, 0.0000007500000000, -0.0001401300000000 ] - [ -0.0001276000000000, -0.0000053200000000, -0.0001644000000000 ] - [ 0.0000436700000000, 0.0000066000000000, 0.0000950900000000 ] - [ 0.0000150900000000, 0.0000233400000000, 0.0000548800000000 ] - [ -0.0000649200000000, -0.0000026000000000, 0.0001196600000000 ] - [ -0.0000846300000000, -0.0000064100000000, 0.0000882000000000 ] - [ 0.0001512600000000, -0.0000048100000000, -0.0000394900000000 ] - [ -0.0000415400000000, -0.0000102400000000, 0.0000988700000000 ] - [ 0.0000222700000000, 0.0000258300000000, -0.0000584800000000 ] - [ 0.0000378800000000, -0.0000090000000000, -0.0000476500000000 ] - [ 0.0001312000000000, 0.0000178800000000, -0.0001741600000000 ] - [ 0.0001053700000000, -0.0000066300000000, -0.0001184000000000 ] - [ 0.0000762800000000, 0.0000001700000000, -0.0000797400000000 ] - [ -0.0000669800000000, -0.0000116100000000, -0.0000742600000000 ] - [ 0.0000675600000000, 0.0000117100000000, -0.0000753800000000 ] - [ -0.0000757000000000, -0.0000037600000000, -0.0001017800000000 ] - [ -0.0000347300000000, 0.0000200100000000, -0.0000471300000000 ] - [ -0.0000226000000000, -0.0000115800000000, -0.0000576500000000 ] - [ 0.0000833300000000, -0.0000112900000000, -0.0000022500000000 ] - [ -0.0001082400000000, -0.0001692200000000, 0.0000879100000000 ] - [ -0.0000365900000000, 0.0001058300000000, 0.0000439200000000 ] - [ -0.0002486100000000, 0.0000114000000000, -0.0000739600000000 ] - [ -0.0000806700000000, -0.0000435600000000, -0.0000023500000000 ] - [ 0.0001094500000000, 0.0000142900000000, 0.0000756800000000 ] - [ 0.0000959300000000, 0.0000051000000000, 0.0000737600000000 ] - [ -0.0001099000000000, -0.0000037100000000, 0.0000654200000000 ] - [ -0.0011405200000000, 0.0011380400000000, -0.0017455000000000 ] - [ 0.0001717400000000, -0.0000765600000000, 0.0000478900000000 ] - [ 0.0000933000000000, -0.0000281600000000, -0.0000011900000000 ] - [ 0.0000444900000000, 0.0000739300000000, -0.0000225900000000 ] - [ 0.0000306500000000, -0.0000669500000000, 0.0000452900000000 ] - [ 0.0020394000000000, 0.0012572100000000, -0.0002275300000000 ] - [ -0.0005078800000000, 0.0000684000000000, -0.0003151700000000 ] - [ -0.0006199700000000, -0.0004660400000000, 0.0013649500000000 ] - [ -0.0000281800000000, -0.0018211500000000, 0.0003919800000000 ] - [ 0.0000245600000000, 0.0000014800000000, 0.0000964900000000 ] - [ 0.0000127900000000, 0.0000206900000000, -0.0002289200000000 ] - [ 0.0000438000000000, 0.0000167700000000, -0.0001463600000000 ] - [ -0.0008539400000000, 0.0003808400000000, -0.0045667900000000 ] - [ -0.0001141000000000, 0.0000041300000000, -0.0000438800000000 ] - [ -0.0000548000000000, -0.0000607900000000, -0.0000952200000000 ] - [ 0.0001396500000000, 0.0001931200000000, 0.0005632300000000 ] - [ 0.0004535900000000, 0.0004171000000000, 0.0001735900000000 ] - [ 0.0000772500000000, 0.0000083900000000, -0.0000182000000000 ] - [ 0.0000110600000000, -0.0000016700000000, -0.0000391000000000 ] - [ 0.0004726500000000, -0.0008109800000000, 0.0000702500000000 ] - [ -0.0000748800000000, -0.0000049400000000, -0.0000197500000000 ] - [ 0.0000494900000000, 0.0000466400000000, -0.0001168000000000 ] - [ 0.0000471500000000, -0.0000401600000000, -0.0001410700000000 ] - [ 0.0000047100000000, -0.0000025000000000, -0.0000541500000000 ] - [ -0.0000549000000000, -0.0000193400000000, -0.0001496800000000 ] - [ -0.0000466400000000, 0.0000213100000000, -0.0001369000000000 ] - [ -0.0000267700000000, -0.0000057200000000, 0.0001097400000000 ] - [ -0.0000596500000000, -0.0001300600000000, 0.0001488400000000 ] - [ -0.0000288100000000, 0.0000058800000000, -0.0000396600000000 ] - [ -0.0001031900000000, -0.0002987700000000, 0.0000944900000000 ] - [ -0.0001455400000000, -0.0000051200000000, 0.0005106800000000 ] - [ -0.0004577900000000, 0.0000634800000000, 0.0003566800000000 ] - [ -0.0009314800000000, -0.0006058800000000, 0.0002133700000000 ] - [ -0.0009118700000000, 0.0004850400000000, -0.0001252500000000 ] - [ -0.0486435700000000, 0.0300847500000000, -0.0001688700000000 ] - [ -0.0526946400000000, -0.0255362400000000, -0.0000814900000000 ] - [ 0.0000589400000000, -0.0000229700000000, 0.0001444700000000 ] - [ -0.0000671300000000, 0.0000236800000000, -0.0004672100000000 ] - [ 0.0001040900000000, -0.0000498500000000, 0.0000819500000000 ] - [ -0.0003648600000000, -0.0001128300000000, -0.0006286400000000 ] - [ -0.0001058900000000, 0.0001205000000000, 0.0000806000000000 ] - [ -0.0001622100000000, -0.0000105800000000, 0.0000469100000000 ] - [ -0.0000669300000000, -0.0000593500000000, -0.0000186700000000 ] - [ 0.0000807600000000, 0.0000405100000000, -0.0000177200000000 ] - [ 0.0000559400000000, -0.0000408100000000, 0.0000414500000000 ] - [ -0.0000559900000000, 0.0000591300000000, 0.0000270500000000 ] - [ 0.0006452400000000, -0.0003918800000000, -0.0002957000000000 ] - [ 0.0001416200000000, 0.0002748900000000, -0.0001332400000000 ] - [ -0.0001115400000000, 0.0004483900000000, 0.0006188400000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000636500000000, 0.0000707000000000, 0.0000172800000000 ] - [ 0.0000274400000000, 0.0001792800000000, -0.0000420000000000 ] - [ 0.0007777800000000, 0.0005499700000000, 0.0011556000000000 ] - [ 0.0001503200000000, 0.0000021900000000, 0.0001263800000000 ] - [ -0.0006775500000000, 0.0048616900000000, 0.0006633600000000 ] - [ 0.0058475200000000, -0.0808464400000000, -0.0010403700000000 ] - [ 0.0000533800000000, 0.0001016900000000, -0.0000558800000000 ] - [ -0.0016287500000000, 0.0012391000000000, 0.0020738900000000 ] - [ 0.0000376400000000, -0.0000348300000000, 0.0000016900000000 ] - [ 0.0000697400000000, -0.0000082500000000, -0.0001469900000000 ] - [ -0.0019624900000000, 0.0008235300000000, -0.0016471300000000 ] - [ 0.0016815500000000, 0.0006534800000000, 0.0006564300000000 ] - [ -0.0000794900000000, 0.0000172800000000, -0.0000939500000000 ] - [ -0.0000007800000000, 0.0000472500000000, -0.0000391800000000 ] - [ -0.0005690800000000, -0.0007098500000000, -0.0001037900000000 ] - [ -0.0010944600000000, 0.0018715600000000, 0.0001242500000000 ] - [ -0.0000364900000000, -0.0000949700000000, 0.0000500300000000 ] - [ -0.0000475800000000, 0.0000498500000000, 0.0000386400000000 ] - [ -0.0003151600000000, 0.0000042400000000, -0.0001722400000000 ] - [ -0.0001108400000000, 0.0000279900000000, 0.0000142000000000 ] - [ -0.0002015300000000, 0.0004008200000000, 0.0012953700000000 ] - [ 0.0001014100000000, -0.0000037100000000, 0.0001056900000000 ] - [ 0.0000649900000000, 0.0001878900000000, -0.0005802500000000 ] - [ 0.0001864800000000, -0.0000936100000000, 0.0001588100000000 ] - [ 0.0001906100000000, 0.0001154100000000, 0.0001618900000000 ] - [ 0.0000077500000000, -0.0000003700000000, -0.0000065300000000 ] - [ 0.0000482500000000, 0.0000924500000000, 0.0000548100000000 ] - [ 0.0000515800000000, -0.0001022700000000, 0.0000438900000000 ] - [ -0.0000703400000000, -0.0000162900000000, -0.0000105000000000 ] - [ -0.0002324200000000, 0.0000343400000000, -0.0001665800000000 ] - [ -0.0002472400000000, -0.0000487200000000, -0.0001555400000000 ] - [ 0.0000257900000000, -0.0000135700000000, 0.0001494500000000 ] - [ -0.0000904500000000, 0.0000398300000000, -0.0000070900000000 ] - [ -0.0000826600000000, 0.0000469000000000, 0.0000648000000000 ] - [ -0.0001102700000000, -0.0000298200000000, 0.0000870400000000 ] - [ 0.0002484700000000, -0.0000134400000000, -0.0000512000000000 ] - [ -0.0000439900000000, 0.0000068800000000, 0.0001155600000000 ] - [ 0.0000048300000000, 0.0000265300000000, -0.0000539600000000 ] - [ -0.0000423300000000, -0.0000296800000000, -0.0000564600000000 ] - [ 0.0001233200000000, -0.0000003300000000, -0.0001759600000000 ] - [ 0.0001305900000000, 0.0000106300000000, -0.0001728700000000 ] - [ 0.0000766500000000, -0.0000087300000000, -0.0000406800000000 ] - [ -0.0000827000000000, -0.0000032600000000, -0.0000537900000000 ] - [ 0.0000708500000000, -0.0000074600000000, -0.0000557700000000 ] - [ -0.0000791700000000, 0.0000074100000000, -0.0000567900000000 ] - [ 0.0000442800000000, 0.0000229100000000, -0.0000469800000000 ] - [ -0.0000038600000000, -0.0000082400000000, -0.0000511100000000 ] - [ 0.0000783800000000, 0.0000024100000000, -0.0000144400000000 ] - [ -0.0000514000000000, -0.0000694200000000, 0.0000447500000000 ] - [ -0.0000269000000000, 0.0000806500000000, 0.0000595100000000 ] - [ -0.0002812900000000, 0.0000751900000000, -0.0001186900000000 ] - [ -0.0000656500000000, -0.0000139400000000, 0.0000075700000000 ] - [ 0.0001095400000000, -0.0000097800000000, 0.0000870100000000 ] - [ 0.0001070600000000, -0.0000206200000000, 0.0000918400000000 ] - [ -0.0000924400000000, -0.0000262900000000, 0.0000913900000000 ] - [ -0.0008677500000000, 0.0008069300000000, -0.0013889500000000 ] - [ 0.0000537900000000, 0.0000145200000000, 0.0001063900000000 ] - [ -0.0001339100000000, -0.0000061600000000, 0.0000537000000000 ] - [ 0.0000602900000000, 0.0001246600000000, 0.0000164600000000 ] - [ 0.0000450200000000, -0.0001376000000000, 0.0000685100000000 ] - [ 0.0026075100000000, 0.0086316000000000, -0.0001497300000000 ] - [ -0.0001652700000000, -0.0000286900000000, -0.0001225800000000 ] - [ -0.0002340500000000, 0.0001114600000000, -0.0011728400000000 ] - [ 0.0009086200000000, 0.0009667800000000, -0.0001417000000000 ] - [ 0.0000152000000000, -0.0000154600000000, 0.0001156700000000 ] - [ -0.0000110100000000, -0.0000037500000000, -0.0000934000000000 ] - [ 0.0000434600000000, -0.0000063600000000, -0.0001350200000000 ] - [ -0.0000025300000000, 0.0000363000000000, -0.0003998400000000 ] - [ -0.0000320900000000, -0.0000031400000000, -0.0000931600000000 ] - [ -0.0000560400000000, -0.0000679900000000, -0.0001346500000000 ] - [ -0.0000314600000000, 0.0001850200000000, -0.0001505500000000 ] - [ 0.0000774400000000, 0.0000247500000000, 0.0001059600000000 ] - [ 0.0000962200000000, -0.0000079000000000, 0.0000326000000000 ] - [ -0.0000412900000000, 0.0000037900000000, -0.0000739800000000 ] - [ -0.0000996400000000, -0.0001100500000000, 0.0001082000000000 ] - [ -0.0000752100000000, 0.0000013600000000, -0.0000289900000000 ] - [ 0.0000342700000000, 0.0000252000000000, -0.0001338100000000 ] - [ 0.0000340900000000, -0.0000094000000000, -0.0001333800000000 ] - [ -0.0000202600000000, -0.0000303100000000, -0.0000578400000000 ] - [ -0.0000502300000000, -0.0000384000000000, -0.0001530500000000 ] - [ -0.0000499000000000, 0.0000492400000000, -0.0001502900000000 ] - [ -0.0000280600000000, -0.0000079900000000, 0.0000807700000000 ] - [ 0.0000813000000000, 0.0001162900000000, 0.0000010800000000 ] - [ -0.0000203900000000, 0.0000291400000000, -0.0000588000000000 ] - [ -0.0002038800000000, -0.0003408300000000, -0.0001845500000000 ] - [ 0.0002034800000000, -0.0003076900000000, 0.0006366300000000 ] - [ -0.0002049000000000, 0.0002960100000000, -0.0004804300000000 ] - [ -0.0006031100000000, -0.0002489900000000, 0.0000332300000000 ] - [ 0.0002622700000000, -0.0000530200000000, -0.0000434200000000 ] - [ -0.0439970700000000, 0.0341384400000000, -0.0012727500000000 ] - [ 0.0393530700000000, 0.0260752600000000, 0.0022031400000000 ] - [ 0.0004752400000000, 0.0000201200000000, -0.0000629400000000 ] - [ 0.0000789200000000, 0.0003711900000000, 0.0003037500000000 ] - [ 0.0000606400000000, -0.0003930200000000, 0.0000200700000000 ] - [ -0.0002405600000000, -0.0000359300000000, -0.0000637400000000 ] - [ -0.0001122400000000, 0.0000504800000000, 0.0001587300000000 ] - [ -0.0001156200000000, -0.0000161800000000, 0.0000640200000000 ] - [ -0.0001012700000000, -0.0000678400000000, 0.0000608500000000 ] - [ 0.0000615400000000, 0.0000971900000000, 0.0000243100000000 ] - [ 0.0000679200000000, -0.0000384300000000, 0.0000317900000000 ] - [ -0.0000841000000000, 0.0000605100000000, 0.0000534500000000 ] - [ 0.0012310500000000, 0.0002972800000000, -0.0000274700000000 ] - [ -0.0000655800000000, 0.0004207300000000, 0.0000772600000000 ] - [ -0.0001291300000000, -0.0004152600000000, 0.0002269700000000 ]- atom: 6 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001197400000000, -0.0000735400000000, -0.0001127100000000 ] - [ -0.0001521400000000, -0.0000263600000000, 0.0000924800000000 ] - [ -0.0009136200000000, -0.0006965200000000, -0.0011142100000000 ] - [ 0.0002427600000000, -0.0000065500000000, -0.0000707100000000 ] - [ 0.0005968900000000, -0.0050192000000000, -0.0004920800000000 ] - [ -0.0081562600000000, 0.0811504500000000, 0.0009489200000000 ] - [ 0.0000389900000000, -0.0001219000000000, -0.0000505700000000 ] - [ 0.0018314400000000, -0.0012364000000000, -0.0024303600000000 ] - [ 0.0001429000000000, 0.0000354900000000, -0.0003110800000000 ] - [ 0.0000716500000000, -0.0000146100000000, 0.0000358700000000 ] - [ 0.0018157900000000, -0.0008098800000000, 0.0015425800000000 ] - [ -0.0015271400000000, -0.0006681800000000, -0.0007602900000000 ] - [ -0.0000741200000000, 0.0000016300000000, -0.0000357500000000 ] - [ -0.0000776100000000, -0.0000181200000000, -0.0000632900000000 ] - [ 0.0005640400000000, 0.0006925800000000, 0.0000058000000000 ] - [ 0.0012556200000000, -0.0018682600000000, -0.0001266300000000 ] - [ -0.0000093400000000, -0.0000883300000000, 0.0000782500000000 ] - [ -0.0000066000000000, 0.0001438600000000, 0.0000695900000000 ] - [ -0.0001652600000000, -0.0000095600000000, 0.0000780800000000 ] - [ -0.0001007900000000, -0.0000063200000000, 0.0001336000000000 ] - [ 0.0004135500000000, -0.0003989900000000, -0.0011430000000000 ] - [ 0.0001081300000000, -0.0000288900000000, 0.0000605200000000 ] - [ -0.0002779200000000, -0.0001813800000000, 0.0006972600000000 ] - [ 0.0000848600000000, 0.0000195400000000, 0.0000531700000000 ] - [ 0.0000813100000000, -0.0000414100000000, 0.0000589800000000 ] - [ 0.0000430900000000, -0.0000062500000000, 0.0000158100000000 ] - [ 0.0000114100000000, 0.0000812800000000, 0.0000876400000000 ] - [ 0.0000161000000000, -0.0000688900000000, 0.0000768500000000 ] - [ -0.0000829600000000, -0.0000027000000000, 0.0000030600000000 ] - [ -0.0000948100000000, 0.0000409500000000, -0.0001507100000000 ] - [ -0.0000861500000000, -0.0000387900000000, -0.0001441200000000 ] - [ 0.0000505700000000, -0.0000001500000000, 0.0001044600000000 ] - [ -0.0000596800000000, -0.0000400700000000, -0.0000519500000000 ] - [ -0.0000885400000000, 0.0000450400000000, 0.0000316300000000 ] - [ -0.0000600000000000, -0.0000623600000000, 0.0000109600000000 ] - [ 0.0001627300000000, 0.0000135300000000, 0.0000702900000000 ] - [ -0.0000540600000000, 0.0000066500000000, 0.0000880200000000 ] - [ 0.0000588100000000, -0.0000022800000000, -0.0000547800000000 ] - [ 0.0000390400000000, -0.0000055800000000, -0.0000532700000000 ] - [ 0.0000848200000000, 0.0000359000000000, -0.0001281500000000 ] - [ 0.0000746800000000, -0.0000355500000000, -0.0001567400000000 ] - [ 0.0000659300000000, -0.0000082200000000, -0.0000670300000000 ] - [ -0.0000734700000000, 0.0000062700000000, -0.0000847100000000 ] - [ 0.0000718000000000, 0.0000085400000000, -0.0000639700000000 ] - [ -0.0000759600000000, 0.0000063300000000, -0.0000614800000000 ] - [ -0.0000362700000000, 0.0000153000000000, -0.0000584300000000 ] - [ -0.0000551100000000, -0.0000283400000000, -0.0000548100000000 ] - [ 0.0000753500000000, 0.0000189500000000, 0.0000023500000000 ] - [ -0.0000078100000000, -0.0001333700000000, 0.0000815600000000 ] - [ -0.0000261000000000, 0.0001125400000000, 0.0000511200000000 ] - [ -0.0002060400000000, -0.0000655500000000, 0.0000222100000000 ] - [ -0.0001477400000000, 0.0000229100000000, 0.0001215900000000 ] - [ 0.0001046500000000, 0.0000212100000000, 0.0000808400000000 ] - [ 0.0001061300000000, -0.0000004100000000, 0.0000797600000000 ] - [ -0.0001228400000000, 0.0000231000000000, 0.0000468500000000 ] - [ 0.0011078100000000, -0.0008454400000000, 0.0015685100000000 ] - [ 0.0001946700000000, 0.0000135000000000, 0.0000729100000000 ] - [ 0.0002320300000000, 0.0000129600000000, -0.0000802600000000 ] - [ 0.0000140300000000, 0.0000521100000000, 0.0001245000000000 ] - [ 0.0000222500000000, -0.0000430300000000, 0.0000569100000000 ] - [ -0.0026748600000000, -0.0083687400000000, 0.0001545600000000 ] - [ -0.0001586300000000, 0.0000929700000000, -0.0001838600000000 ] - [ -0.0000659600000000, -0.0001856700000000, 0.0008705100000000 ] - [ -0.0008331600000000, -0.0009931700000000, 0.0003955700000000 ] - [ 0.0000266800000000, 0.0000125800000000, 0.0000751400000000 ] - [ -0.0001456800000000, -0.0000006700000000, 0.0000532600000000 ] - [ 0.0000697700000000, 0.0000637800000000, -0.0001566700000000 ] - [ 0.0001288200000000, -0.0000887500000000, 0.0001151900000000 ] - [ 0.0000077700000000, -0.0000250500000000, -0.0000223800000000 ] - [ -0.0000679300000000, -0.0000000600000000, -0.0001665100000000 ] - [ -0.0000980900000000, -0.0001164800000000, -0.0001532700000000 ] - [ -0.0001335500000000, -0.0000258000000000, 0.0000661700000000 ] - [ 0.0000805900000000, 0.0000040600000000, -0.0000132000000000 ] - [ 0.0000179600000000, 0.0000215000000000, -0.0000394300000000 ] - [ 0.0001402200000000, 0.0001068100000000, 0.0000866400000000 ] - [ -0.0000915700000000, 0.0000013600000000, 0.0000064600000000 ] - [ 0.0000693900000000, 0.0000297500000000, -0.0001579800000000 ] - [ 0.0000722700000000, -0.0000493500000000, -0.0001587600000000 ] - [ -0.0000024400000000, 0.0000043300000000, -0.0000558100000000 ] - [ -0.0000652800000000, -0.0000284100000000, -0.0001480900000000 ] - [ -0.0000667300000000, 0.0000136400000000, -0.0001460400000000 ] - [ -0.0000259000000000, 0.0000088000000000, 0.0000885500000000 ] - [ 0.0000933500000000, -0.0001103500000000, 0.0000091500000000 ] - [ -0.0000018000000000, -0.0000056000000000, -0.0000583900000000 ] - [ -0.0000693200000000, 0.0003614400000000, 0.0004309700000000 ] - [ -0.0004808300000000, 0.0002865700000000, -0.0003942700000000 ] - [ 0.0003513000000000, -0.0003018200000000, 0.0008451600000000 ] - [ 0.0004481800000000, 0.0001955200000000, 0.0000069700000000 ] - [ -0.0001510200000000, 0.0000972900000000, 0.0000326100000000 ] - [ 0.0454189400000000, -0.0349003900000000, 0.0012875500000000 ] - [ -0.0385887000000000, -0.0256482900000000, -0.0021626000000000 ] - [ -0.0000039600000000, -0.0000254300000000, 0.0001146600000000 ] - [ 0.0000813300000000, 0.0000665800000000, -0.0001645900000000 ] - [ 0.0001002600000000, -0.0000695100000000, 0.0001151200000000 ] - [ -0.0000049200000000, -0.0000552700000000, 0.0002982700000000 ] - [ -0.0001306300000000, 0.0000494200000000, 0.0000775500000000 ] - [ 0.0001130500000000, 0.0000247800000000, 0.0002061300000000 ] - [ -0.0000304100000000, -0.0000195700000000, 0.0000110000000000 ] - [ 0.0000491700000000, 0.0000192800000000, -0.0000093900000000 ] - [ 0.0000495700000000, -0.0000548000000000, -0.0000224000000000 ] - [ -0.0000472900000000, 0.0000103600000000, 0.0000142800000000 ] - [ -0.0009034400000000, -0.0002998900000000, 0.0001542800000000 ] - [ 0.0002679200000000, -0.0000811200000000, 0.0000544900000000 ] - [ 0.0003298400000000, 0.0001041800000000, -0.0000884600000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001538300000000, 0.0000775700000000, 0.0000147200000000 ] - [ -0.0000557500000000, 0.0000667900000000, 0.0000206100000000 ] - [ 0.0006435200000000, 0.0005437700000000, 0.0008262600000000 ] - [ 0.0001950400000000, 0.0000060200000000, 0.0000114500000000 ] - [ -0.0001743700000000, -0.0000912100000000, 0.0002194700000000 ] - [ -0.0070498800000000, -0.0009827200000000, -0.0330656400000000 ] - [ 0.0001317100000000, -0.0000120900000000, -0.0001961700000000 ] - [ -0.0038229800000000, 0.0028213400000000, 0.0033011400000000 ] - [ 0.0001944200000000, -0.0000667100000000, -0.0002745500000000 ] - [ 0.0000512800000000, 0.0000274100000000, -0.0000555800000000 ] - [ 0.0044362000000000, -0.0025693900000000, 0.0020365200000000 ] - [ 0.0047414800000000, 0.0017755200000000, 0.0021225800000000 ] - [ -0.0000894900000000, -0.0000477100000000, -0.0001314500000000 ] - [ -0.0000032100000000, 0.0000408600000000, 0.0002142100000000 ] - [ -0.0013199400000000, 0.0000209500000000, -0.0057211400000000 ] - [ -0.0000788600000000, 0.0000687400000000, -0.0010177000000000 ] - [ -0.0000194600000000, -0.0000743000000000, 0.0000643300000000 ] - [ 0.0000308200000000, 0.0000531400000000, 0.0001410500000000 ] - [ -0.0001611700000000, 0.0000175300000000, 0.0000075900000000 ] - [ -0.0001015100000000, -0.0000170700000000, 0.0000799000000000 ] - [ -0.0005459200000000, 0.0008953200000000, 0.0016918100000000 ] - [ 0.0001054800000000, 0.0000140100000000, 0.0000836800000000 ] - [ -0.0004274100000000, -0.0004281000000000, 0.0008561100000000 ] - [ 0.0001272700000000, -0.0000276600000000, 0.0001231400000000 ] - [ 0.0001119600000000, -0.0000084800000000, 0.0001256400000000 ] - [ -0.0000250300000000, -0.0000132900000000, 0.0000065600000000 ] - [ 0.0000192500000000, 0.0000673500000000, 0.0000633100000000 ] - [ -0.0000705900000000, -0.0000532300000000, 0.0003505100000000 ] - [ -0.0000743700000000, 0.0000068800000000, 0.0000254900000000 ] - [ -0.0001378300000000, 0.0000171000000000, -0.0001085100000000 ] - [ -0.0001459700000000, -0.0000297800000000, -0.0001436500000000 ] - [ 0.0000360900000000, 0.0000096900000000, 0.0001486800000000 ] - [ 0.0000888000000000, 0.0000405000000000, 0.0000496200000000 ] - [ -0.0000886300000000, 0.0000086600000000, 0.0001190500000000 ] - [ -0.0001122300000000, 0.0000257300000000, 0.0001255400000000 ] - [ 0.0001811900000000, -0.0000196400000000, -0.0000451500000000 ] - [ -0.0000336900000000, -0.0000095300000000, 0.0001249700000000 ] - [ 0.0000075100000000, 0.0000212700000000, -0.0000438300000000 ] - [ 0.0000158800000000, -0.0000178900000000, -0.0000340000000000 ] - [ 0.0001437500000000, 0.0000138200000000, -0.0001479900000000 ] - [ 0.0001359500000000, -0.0000007700000000, -0.0001048900000000 ] - [ 0.0000729700000000, -0.0000073100000000, -0.0000250300000000 ] - [ -0.0000731100000000, -0.0000022900000000, -0.0000543600000000 ] - [ 0.0000697700000000, 0.0000240000000000, -0.0000344800000000 ] - [ -0.0000776100000000, -0.0000176700000000, -0.0000509100000000 ] - [ -0.0000176800000000, 0.0000200900000000, -0.0000373700000000 ] - [ -0.0000093100000000, -0.0000147000000000, -0.0000473400000000 ] - [ 0.0000637500000000, -0.0000093300000000, 0.0000103800000000 ] - [ -0.0000987500000000, -0.0001902700000000, 0.0000784400000000 ] - [ -0.0000446700000000, 0.0001458700000000, 0.0000784600000000 ] - [ -0.0002542500000000, -0.0000264200000000, -0.0000144800000000 ] - [ -0.0001290000000000, -0.0000223600000000, 0.0001043500000000 ] - [ 0.0001046900000000, 0.0000382100000000, 0.0001143300000000 ] - [ 0.0001017000000000, -0.0000121700000000, 0.0001132200000000 ] - [ -0.0001123400000000, 0.0000078800000000, 0.0000742500000000 ] - [ 0.0014785900000000, -0.0015675900000000, 0.0018507500000000 ] - [ 0.0001688200000000, -0.0000055100000000, 0.0000307300000000 ] - [ 0.0000975300000000, -0.0000173300000000, -0.0000115700000000 ] - [ 0.0000940200000000, 0.0000965300000000, 0.0000672600000000 ] - [ 0.0000484400000000, -0.0000636300000000, 0.0000697600000000 ] - [ 0.0000208000000000, -0.0002276300000000, -0.0000446400000000 ] - [ -0.0001956200000000, 0.0000110200000000, -0.0001928500000000 ] - [ -0.0019111800000000, -0.0011260100000000, 0.0005759000000000 ] - [ -0.0003154700000000, -0.0002665500000000, -0.0005903400000000 ] - [ 0.0000216700000000, -0.0000042500000000, 0.0000800600000000 ] - [ 0.0001395800000000, -0.0002217200000000, 0.0001687300000000 ] - [ 0.0000800000000000, 0.0000249200000000, -0.0001383900000000 ] - [ 0.0002848000000000, -0.0001417600000000, 0.0033314600000000 ] - [ -0.0000154000000000, 0.0001415100000000, -0.0002238100000000 ] - [ -0.0000855800000000, -0.0000478900000000, -0.0001442700000000 ] - [ -0.0003225000000000, 0.0001319000000000, 0.0000595100000000 ] - [ -0.0000587700000000, 0.0000202800000000, 0.0002377900000000 ] - [ 0.0000831700000000, 0.0000102300000000, -0.0000201600000000 ] - [ -0.0000120700000000, 0.0000045000000000, -0.0000559600000000 ] - [ -0.0000781400000000, 0.0000148000000000, 0.0003246000000000 ] - [ -0.0000828400000000, -0.0000079900000000, -0.0000343700000000 ] - [ 0.0000592500000000, 0.0000338100000000, -0.0001555600000000 ] - [ 0.0000499000000000, -0.0000343800000000, -0.0001446300000000 ] - [ -0.0000007300000000, -0.0000031200000000, -0.0000869200000000 ] - [ -0.0000628100000000, -0.0000282400000000, -0.0001665700000000 ] - [ -0.0000521100000000, 0.0000264000000000, -0.0001461400000000 ] - [ -0.0000249200000000, 0.0000065000000000, 0.0000824700000000 ] - [ -0.0000021400000000, 0.0000485500000000, -0.0000231600000000 ] - [ -0.0000275400000000, 0.0000013500000000, -0.0001846200000000 ] - [ -0.0001446800000000, -0.0001331200000000, 0.0000725100000000 ] - [ 0.0000164500000000, -0.0000666100000000, 0.0001731100000000 ] - [ -0.0002643900000000, 0.0000148400000000, -0.0000748600000000 ] - [ -0.0000881400000000, -0.0000635300000000, -0.0001768800000000 ] - [ 0.0000776800000000, 0.0000847200000000, 0.0002509400000000 ] - [ 0.0021917300000000, -0.0014334300000000, 0.0113177500000000 ] - [ 0.0024020900000000, 0.0021968600000000, 0.0119745200000000 ] - [ 0.0002503400000000, -0.0000188100000000, -0.0000467000000000 ] - [ -0.0000223000000000, 0.0003127400000000, -0.0003347400000000 ] - [ 0.0000318500000000, -0.0001482200000000, 0.0001184300000000 ] - [ -0.0002028900000000, -0.0003510100000000, -0.0004225000000000 ] - [ -0.0000590600000000, 0.0001522100000000, 0.0001401000000000 ] - [ -0.0002745000000000, 0.0000243700000000, -0.0000530800000000 ] - [ -0.0000610100000000, -0.0000639500000000, -0.0000196900000000 ] - [ 0.0000648000000000, 0.0000551900000000, -0.0000126600000000 ] - [ 0.0000518500000000, -0.0000586500000000, 0.0000229200000000 ] - [ -0.0000565400000000, 0.0000621700000000, 0.0000122400000000 ] - [ 0.0000362600000000, 0.0002815200000000, 0.0002791900000000 ] - [ 0.0001912800000000, 0.0001883100000000, -0.0000122600000000 ] - [ 0.0001788000000000, 0.0000517700000000, 0.0001034600000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000102400000000, -0.0000713000000000, -0.0000535000000000 ] - [ -0.0001231300000000, 0.0000134500000000, 0.0000862700000000 ] - [ -0.0008379300000000, -0.0006347300000000, -0.0007420200000000 ] - [ 0.0002287200000000, 0.0000008400000000, -0.0000038200000000 ] - [ 0.0000814700000000, 0.0001048900000000, -0.0000266000000000 ] - [ 0.0072432400000000, 0.0010066400000000, 0.0327103000000000 ] - [ -0.0001069600000000, -0.0000167500000000, 0.0000771800000000 ] - [ 0.0041293900000000, -0.0028797900000000, -0.0036827300000000 ] - [ 0.0000482100000000, 0.0000564300000000, -0.0000595100000000 ] - [ 0.0000952000000000, -0.0000390700000000, -0.0000670900000000 ] - [ -0.0045378700000000, 0.0024912100000000, -0.0021552200000000 ] - [ -0.0045289700000000, -0.0017111000000000, -0.0022261600000000 ] - [ -0.0000634400000000, 0.0000689000000000, 0.0000110800000000 ] - [ -0.0000159900000000, -0.0000058800000000, -0.0003305900000000 ] - [ 0.0012719400000000, -0.0000627400000000, 0.0056003900000000 ] - [ 0.0002339400000000, -0.0000434700000000, 0.0009898800000000 ] - [ -0.0000308900000000, -0.0001052800000000, 0.0000513800000000 ] - [ -0.0000875000000000, 0.0001263200000000, -0.0000178800000000 ] - [ -0.0002859100000000, -0.0000176100000000, -0.0000521800000000 ] - [ -0.0001104600000000, 0.0000390700000000, 0.0000564800000000 ] - [ 0.0007406300000000, -0.0008609300000000, -0.0015245300000000 ] - [ 0.0001067000000000, -0.0000284600000000, 0.0000567400000000 ] - [ 0.0002050800000000, 0.0003938700000000, -0.0007081100000000 ] - [ 0.0000915400000000, 0.0000383000000000, 0.0000302300000000 ] - [ 0.0001061800000000, 0.0000023300000000, 0.0000334300000000 ] - [ 0.0001467200000000, 0.0000137300000000, -0.0000534000000000 ] - [ 0.0000309400000000, 0.0001188000000000, 0.0000532000000000 ] - [ 0.0001251100000000, -0.0001322700000000, -0.0002223100000000 ] - [ -0.0000861200000000, 0.0000012000000000, -0.0000099600000000 ] - [ -0.0001323300000000, 0.0000371200000000, -0.0002017800000000 ] - [ -0.0001245400000000, -0.0000166500000000, -0.0001687900000000 ] - [ 0.0000603800000000, -0.0000008900000000, 0.0000891700000000 ] - [ -0.0002149600000000, -0.0000416800000000, -0.0000921000000000 ] - [ -0.0001349800000000, -0.0000090300000000, 0.0000448400000000 ] - [ -0.0001112400000000, -0.0000330900000000, 0.0000298300000000 ] - [ 0.0002679200000000, 0.0000202800000000, -0.0000032000000000 ] - [ -0.0000588400000000, -0.0000061300000000, 0.0001101300000000 ] - [ 0.0000118900000000, 0.0000176000000000, -0.0000552000000000 ] - [ 0.0000158600000000, -0.0000116500000000, -0.0000599600000000 ] - [ 0.0001252600000000, 0.0000347800000000, -0.0001662600000000 ] - [ 0.0001321200000000, -0.0000571500000000, -0.0001956000000000 ] - [ 0.0000761000000000, -0.0000017200000000, -0.0000661500000000 ] - [ -0.0000753700000000, -0.0000211900000000, -0.0000484600000000 ] - [ 0.0000763900000000, 0.0000068200000000, -0.0000597300000000 ] - [ -0.0000723600000000, 0.0000169200000000, -0.0000575200000000 ] - [ -0.0000151900000000, 0.0000154100000000, -0.0000565400000000 ] - [ -0.0000112900000000, -0.0000151200000000, -0.0000523700000000 ] - [ 0.0000878900000000, -0.0000074400000000, 0.0000007800000000 ] - [ 0.0000419900000000, -0.0000158200000000, 0.0000580000000000 ] - [ -0.0000074900000000, 0.0000608600000000, 0.0000715300000000 ] - [ -0.0001749200000000, 0.0000215900000000, -0.0000028500000000 ] - [ -0.0000861900000000, 0.0000224100000000, 0.0000624600000000 ] - [ 0.0001093900000000, 0.0000011200000000, 0.0000694200000000 ] - [ 0.0001133500000000, -0.0000077600000000, 0.0000657400000000 ] - [ -0.0001025500000000, -0.0000280400000000, 0.0000976000000000 ] - [ -0.0013248800000000, 0.0016286500000000, -0.0017629600000000 ] - [ 0.0000262800000000, -0.0000232500000000, 0.0000966300000000 ] - [ 0.0000268700000000, 0.0000102400000000, -0.0000386000000000 ] - [ -0.0000333600000000, 0.0000729300000000, 0.0000689200000000 ] - [ 0.0000075900000000, -0.0001071100000000, 0.0000801400000000 ] - [ -0.0001677600000000, 0.0001987500000000, 0.0000385100000000 ] - [ -0.0000656000000000, 0.0000458200000000, -0.0001171700000000 ] - [ 0.0016937200000000, 0.0010866100000000, -0.0009051200000000 ] - [ 0.0004040800000000, 0.0002597600000000, 0.0008019900000000 ] - [ 0.0000254500000000, 0.0000049400000000, 0.0000995700000000 ] - [ -0.0003049300000000, 0.0002234100000000, -0.0001935000000000 ] - [ 0.0000340800000000, 0.0000348100000000, -0.0001542100000000 ] - [ -0.0001563900000000, 0.0000708800000000, -0.0033421600000000 ] - [ 0.0000129700000000, -0.0001497200000000, 0.0001102200000000 ] - [ -0.0000294500000000, -0.0000155600000000, -0.0001541700000000 ] - [ 0.0002115100000000, -0.0000710200000000, -0.0003497900000000 ] - [ 0.0000106500000000, -0.0000187700000000, -0.0000576900000000 ] - [ 0.0000891400000000, -0.0000107300000000, 0.0000201200000000 ] - [ 0.0000100700000000, -0.0000012100000000, -0.0000554200000000 ] - [ 0.0001242800000000, -0.0000191400000000, -0.0001442900000000 ] - [ -0.0000884000000000, 0.0000049500000000, 0.0000339300000000 ] - [ 0.0000573800000000, 0.0000278700000000, -0.0001394500000000 ] - [ 0.0000647000000000, -0.0000242200000000, -0.0001506800000000 ] - [ 0.0000014600000000, 0.0000020700000000, -0.0000303200000000 ] - [ -0.0000549900000000, -0.0000332400000000, -0.0001339800000000 ] - [ -0.0000644000000000, 0.0000368600000000, -0.0001507700000000 ] - [ -0.0000257400000000, -0.0000097900000000, 0.0000967100000000 ] - [ 0.0001673400000000, -0.0000450700000000, 0.0000082100000000 ] - [ 0.0000283500000000, -0.0000017000000000, 0.0000727700000000 ] - [ -0.0000902600000000, -0.0000140900000000, 0.0001248100000000 ] - [ -0.0002505100000000, 0.0002096300000000, 0.0000252100000000 ] - [ 0.0001817700000000, -0.0000142000000000, 0.0003219900000000 ] - [ -0.0000324500000000, -0.0000385200000000, 0.0002002500000000 ] - [ 0.0000394000000000, 0.0000116100000000, -0.0002194200000000 ] - [ -0.0022190500000000, 0.0014569500000000, -0.0113017100000000 ] - [ -0.0026583000000000, -0.0021719800000000, -0.0119483900000000 ] - [ -0.0000355400000000, 0.0000179500000000, 0.0002120500000000 ] - [ 0.0002352500000000, -0.0000627800000000, 0.0005105800000000 ] - [ 0.0001815800000000, -0.0001087400000000, 0.0000584200000000 ] - [ -0.0000171200000000, 0.0000957200000000, 0.0005918100000000 ] - [ -0.0001590300000000, 0.0001040400000000, 0.0000312300000000 ] - [ 0.0000726800000000, -0.0000257900000000, 0.0002315000000000 ] - [ -0.0000600100000000, -0.0000290700000000, 0.0000366300000000 ] - [ 0.0000561300000000, 0.0000466400000000, 0.0000219900000000 ] - [ 0.0000686900000000, -0.0000267100000000, 0.0000030400000000 ] - [ -0.0000633700000000, 0.0000391300000000, 0.0000038300000000 ] - [ 0.0001202700000000, -0.0002841600000000, -0.0000694100000000 ] - [ 0.0000309800000000, -0.0000028700000000, 0.0001972400000000 ] - [ 0.0000424800000000, -0.0002289700000000, 0.0000869900000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020483200000000, -0.0010079200000000, -0.0007179200000000 ] - [ 0.0005689600000000, 0.0010383400000000, 0.0005907300000000 ] - [ 0.0051647700000000, -0.0000518500000000, 0.0002411700000000 ] - [ 0.0008979500000000, 0.0004674600000000, 0.0013220500000000 ] - [ 0.0028430600000000, 0.0035994300000000, -0.0049417300000000 ] - [ 0.0011640500000000, -0.0016405200000000, -0.0039807500000000 ] - [ -0.0001440400000000, -0.0000151600000000, 0.0000448500000000 ] - [ -0.0352542800000000, -0.0125125000000000, -0.0002338300000000 ] - [ -0.0017486300000000, 0.0001501800000000, 0.0001956600000000 ] - [ 0.0001591400000000, 0.0000898700000000, -0.0001368100000000 ] - [ -0.0011669900000000, -0.0004032100000000, 0.0005806400000000 ] - [ 0.0002704900000000, -0.0000249200000000, 0.0001042800000000 ] - [ -0.0002004200000000, -0.0001003200000000, -0.0002848600000000 ] - [ 0.0002987900000000, -0.0000040100000000, 0.0000046100000000 ] - [ 0.0004518400000000, -0.0000590300000000, 0.0017575400000000 ] - [ 0.0016209700000000, -0.0018978300000000, 0.0030976300000000 ] - [ -0.0000250700000000, -0.0001364500000000, 0.0000713700000000 ] - [ 0.0000031400000000, 0.0000985400000000, 0.0001192500000000 ] - [ -0.0002116200000000, -0.0000041100000000, -0.0000097100000000 ] - [ -0.0000661300000000, -0.0000174400000000, 0.0000578900000000 ] - [ 0.0001490300000000, 0.0000249900000000, 0.0001488300000000 ] - [ 0.0001071300000000, -0.0000050800000000, 0.0001283800000000 ] - [ -0.0000240600000000, -0.0000443400000000, 0.0001648100000000 ] - [ 0.0001373300000000, 0.0000053900000000, 0.0000590400000000 ] - [ 0.0001423500000000, 0.0000295800000000, 0.0000963200000000 ] - [ 0.0000151000000000, 0.0000657000000000, -0.0000517700000000 ] - [ 0.0000272600000000, 0.0000931200000000, 0.0000651100000000 ] - [ 0.0000020700000000, -0.0000507300000000, 0.0001056300000000 ] - [ -0.0000999600000000, 0.0000064700000000, -0.0000062800000000 ] - [ -0.0002481100000000, -0.0000018200000000, -0.0001698700000000 ] - [ -0.0002491600000000, 0.0000010500000000, -0.0001561400000000 ] - [ 0.0000176100000000, -0.0000036600000000, 0.0001480900000000 ] - [ -0.0000374100000000, -0.0000273600000000, -0.0000451800000000 ] - [ -0.0000763500000000, 0.0000632800000000, 0.0000305700000000 ] - [ -0.0000867000000000, -0.0000657100000000, 0.0000235400000000 ] - [ 0.0001872400000000, -0.0000027400000000, 0.0000227700000000 ] - [ -0.0000332600000000, 0.0000097900000000, 0.0000704100000000 ] - [ 0.0000338200000000, 0.0000336700000000, -0.0000510400000000 ] - [ 0.0000221100000000, -0.0000550100000000, -0.0000539700000000 ] - [ 0.0000986200000000, -0.0000334700000000, -0.0001358800000000 ] - [ 0.0001189700000000, 0.0000279200000000, -0.0001567000000000 ] - [ 0.0000102700000000, -0.0000514300000000, -0.0000720100000000 ] - [ -0.0000800000000000, 0.0000053000000000, -0.0000964500000000 ] - [ 0.0000527600000000, 0.0000511100000000, -0.0000140300000000 ] - [ -0.0000970800000000, -0.0000116300000000, -0.0001274300000000 ] - [ -0.0000199500000000, 0.0000319600000000, -0.0000639000000000 ] - [ -0.0000344300000000, -0.0000460500000000, -0.0000562500000000 ] - [ 0.0000898700000000, 0.0000102900000000, -0.0000236700000000 ] - [ 0.0009206600000000, 0.0004744800000000, -0.0007740900000000 ] - [ 0.0000329700000000, 0.0002399900000000, 0.0001714800000000 ] - [ -0.0002069700000000, -0.0000438800000000, -0.0000376600000000 ] - [ -0.0000199800000000, 0.0000238100000000, -0.0000685400000000 ] - [ 0.0000582100000000, 0.0001179500000000, 0.0002590400000000 ] - [ 0.0002020800000000, -0.0000633900000000, 0.0002908200000000 ] - [ -0.0001212100000000, 0.0000782200000000, 0.0000127300000000 ] - [ 0.0000725600000000, -0.0001604000000000, 0.0001466400000000 ] - [ 0.0001539800000000, -0.0000913000000000, 0.0000136700000000 ] - [ 0.0001467400000000, -0.0000297200000000, -0.0000452100000000 ] - [ 0.0013136500000000, -0.0004649900000000, 0.0012839700000000 ] - [ -0.0000668000000000, 0.0001355200000000, 0.0000719100000000 ] - [ -0.0000451000000000, 0.0003610000000000, 0.0002492100000000 ] - [ -0.0003789500000000, 0.0004602600000000, -0.0001870600000000 ] - [ 0.0007637500000000, 0.0012114100000000, 0.0003821200000000 ] - [ 0.0000655300000000, 0.0000928400000000, 0.0002209500000000 ] - [ 0.0000313600000000, 0.0000402100000000, 0.0000200900000000 ] - [ 0.0028656700000000, -0.0022981100000000, -0.0000204900000000 ] - [ 0.0000145300000000, 0.0000215600000000, -0.0000958500000000 ] - [ 0.0001991800000000, -0.0001187800000000, 0.0000710800000000 ] - [ 0.0000463700000000, 0.0020475300000000, -0.0013425300000000 ] - [ -0.0000108300000000, -0.0000157400000000, -0.0001310400000000 ] - [ -0.0001820600000000, 0.0000003100000000, -0.0004280500000000 ] - [ -0.0005678700000000, 0.0000907700000000, 0.0000885000000000 ] - [ 0.0000881100000000, 0.0000018900000000, -0.0000218200000000 ] - [ 0.0000608200000000, -0.0000008400000000, -0.0000137300000000 ] - [ 0.0000492800000000, -0.0000038300000000, 0.0000605400000000 ] - [ -0.0000827100000000, 0.0000050600000000, -0.0000027100000000 ] - [ 0.0000964600000000, 0.0001010300000000, -0.0001944100000000 ] - [ 0.0000908200000000, -0.0001236900000000, -0.0002026500000000 ] - [ -0.0000030700000000, -0.0000019700000000, -0.0000478200000000 ] - [ -0.0000396800000000, 0.0000271500000000, 0.0000392100000000 ] - [ -0.0000823800000000, -0.0000421200000000, -0.0001556400000000 ] - [ -0.0000233000000000, -0.0000130100000000, 0.0001232700000000 ] - [ 0.0002363600000000, -0.0001532500000000, 0.0000430300000000 ] - [ -0.0000073400000000, -0.0000041000000000, -0.0000954300000000 ] - [ 0.0003876200000000, 0.0004186700000000, 0.0016509500000000 ] - [ 0.0003224900000000, 0.0011790700000000, 0.0001883300000000 ] - [ 0.0111639100000000, 0.0056820100000000, -0.0022166000000000 ] - [ -0.0003055900000000, -0.0004086500000000, 0.0000833300000000 ] - [ 0.0004789600000000, 0.0007459800000000, -0.0004921300000000 ] - [ 0.0073278400000000, 0.0025548700000000, 0.0030331400000000 ] - [ -0.0013638400000000, 0.0008987500000000, -0.0003679100000000 ] - [ 0.0002746500000000, 0.0000161000000000, 0.0000991000000000 ] - [ 0.0000991100000000, 0.0001413000000000, 0.0000431700000000 ] - [ 0.0001429700000000, -0.0000865700000000, 0.0000267900000000 ] - [ -0.0001152800000000, -0.0001002800000000, 0.0000873400000000 ] - [ -0.0001064300000000, -0.0000174200000000, 0.0001371100000000 ] - [ -0.0000571900000000, 0.0000160600000000, 0.0001170500000000 ] - [ -0.0000622900000000, -0.0000601600000000, 0.0000455200000000 ] - [ 0.0001040900000000, 0.0000455800000000, 0.0000523300000000 ] - [ 0.0001137600000000, -0.0000520500000000, -0.0000383800000000 ] - [ -0.0000817900000000, 0.0000206100000000, -0.0000162900000000 ] - [ -0.0007881000000000, -0.0009710600000000, 0.0001414000000000 ] - [ 0.0002017700000000, 0.0003035500000000, -0.0003477300000000 ] - [ -0.0002068900000000, 0.0001425800000000, 0.0004249400000000 ]- atom: 8 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021954900000000, 0.0010132700000000, 0.0006671800000000 ] - [ -0.0007510300000000, -0.0010334500000000, -0.0004528700000000 ] - [ -0.0054862900000000, -0.0000260800000000, -0.0001363500000000 ] - [ -0.0004794300000000, -0.0004683200000000, -0.0013274000000000 ] - [ -0.0029460100000000, -0.0036247100000000, 0.0051971100000000 ] - [ -0.0011101900000000, 0.0017058800000000, 0.0039338600000000 ] - [ 0.0002217100000000, -0.0000029200000000, -0.0001369300000000 ] - [ 0.0361500300000000, 0.0133774600000000, 0.0000567600000000 ] - [ 0.0020209000000000, -0.0001016700000000, -0.0005008200000000 ] - [ -0.0000171000000000, -0.0001233900000000, 0.0000436700000000 ] - [ 0.0010194000000000, 0.0003953100000000, -0.0007170800000000 ] - [ -0.0001202700000000, 0.0000288800000000, -0.0002134600000000 ] - [ 0.0000530000000000, 0.0001381700000000, 0.0001776100000000 ] - [ -0.0003716500000000, 0.0000427500000000, -0.0001001000000000 ] - [ -0.0005194400000000, 0.0000460600000000, -0.0018178900000000 ] - [ -0.0014300900000000, 0.0018886300000000, -0.0030714800000000 ] - [ 0.0000007500000000, -0.0000527100000000, 0.0000682400000000 ] - [ -0.0000405500000000, 0.0000880300000000, 0.0000106100000000 ] - [ -0.0002110000000000, 0.0000087000000000, -0.0000244600000000 ] - [ -0.0001475800000000, 0.0000472600000000, 0.0001142100000000 ] - [ 0.0000643500000000, -0.0000063800000000, 0.0000303300000000 ] - [ 0.0001056300000000, -0.0000275000000000, 0.0000629900000000 ] - [ -0.0001885500000000, 0.0000258400000000, -0.0000072900000000 ] - [ 0.0000910500000000, -0.0000171900000000, 0.0000900000000000 ] - [ 0.0000822700000000, -0.0000091600000000, 0.0000533100000000 ] - [ 0.0000716100000000, -0.0000599400000000, 0.0000338200000000 ] - [ 0.0000052300000000, 0.0000827500000000, 0.0000816000000000 ] - [ 0.0000421600000000, -0.0001253300000000, 0.0000308800000000 ] - [ -0.0000693000000000, -0.0000068900000000, -0.0000067500000000 ] - [ -0.0000255600000000, 0.0000679400000000, -0.0001401500000000 ] - [ -0.0000404900000000, -0.0000643300000000, -0.0001578200000000 ] - [ 0.0000826100000000, 0.0000063300000000, 0.0000663800000000 ] - [ -0.0000918800000000, 0.0000237700000000, 0.0000021900000000 ] - [ -0.0000890700000000, 0.0000087000000000, 0.0000591800000000 ] - [ -0.0000800700000000, -0.0000136900000000, 0.0000642600000000 ] - [ 0.0001981400000000, 0.0000002400000000, 0.0000122800000000 ] - [ -0.0000800100000000, -0.0000023200000000, 0.0001104800000000 ] - [ 0.0000638300000000, -0.0000181900000000, -0.0000635700000000 ] - [ 0.0000313600000000, 0.0000251400000000, -0.0000594600000000 ] - [ 0.0001265000000000, 0.0000557200000000, -0.0001779000000000 ] - [ 0.0000968400000000, -0.0000524900000000, -0.0001801200000000 ] - [ 0.0001359900000000, 0.0000387500000000, -0.0000411400000000 ] - [ -0.0000699800000000, -0.0000265300000000, -0.0000305700000000 ] - [ 0.0000922100000000, -0.0000279700000000, -0.0001045300000000 ] - [ -0.0000598900000000, 0.0000253200000000, 0.0000200800000000 ] - [ -0.0000336300000000, -0.0000128900000000, -0.0000495600000000 ] - [ -0.0000620400000000, 0.0000154900000000, -0.0000544500000000 ] - [ 0.0000828500000000, 0.0000026700000000, 0.0000031300000000 ] - [ -0.0009608200000000, -0.0006625600000000, 0.0008939800000000 ] - [ -0.0000705200000000, -0.0000596700000000, -0.0000366600000000 ] - [ -0.0002374200000000, 0.0000442700000000, -0.0000228000000000 ] - [ -0.0001921700000000, -0.0000074900000000, 0.0002010600000000 ] - [ 0.0001536700000000, -0.0000887600000000, -0.0001168100000000 ] - [ 0.0000105100000000, 0.0000407200000000, -0.0001265900000000 ] - [ -0.0000940600000000, -0.0001038300000000, 0.0001300100000000 ] - [ 0.0001740700000000, 0.0001155000000000, 0.0000411900000000 ] - [ 0.0000916300000000, 0.0001316900000000, 0.0001635600000000 ] - [ -0.0000332100000000, 0.0000296800000000, 0.0000247600000000 ] - [ -0.0012702200000000, 0.0006288000000000, -0.0011620300000000 ] - [ 0.0001168500000000, -0.0003200400000000, 0.0000676200000000 ] - [ -0.0001330900000000, -0.0003803700000000, -0.0002316500000000 ] - [ 0.0000874200000000, -0.0003869100000000, -0.0001092400000000 ] - [ -0.0010662800000000, -0.0013315100000000, -0.0006644800000000 ] - [ 0.0000322200000000, -0.0001108000000000, 0.0000261500000000 ] - [ 0.0000141200000000, -0.0000409500000000, 0.0001738200000000 ] - [ -0.0028565500000000, 0.0021155700000000, 0.0000255300000000 ] - [ 0.0001068500000000, 0.0000393700000000, -0.0002112400000000 ] - [ -0.0000829600000000, 0.0000621400000000, -0.0003733500000000 ] - [ -0.0000843000000000, -0.0021262700000000, 0.0012802700000000 ] - [ -0.0001153000000000, -0.0000470700000000, -0.0001827400000000 ] - [ 0.0000606200000000, 0.0000653600000000, 0.0001219700000000 ] - [ 0.0005117700000000, -0.0000943700000000, 0.0000943200000000 ] - [ 0.0000898300000000, -0.0000013800000000, 0.0000354200000000 ] - [ -0.0000664700000000, 0.0000080200000000, -0.0001022700000000 ] - [ -0.0000020600000000, 0.0000043400000000, 0.0001289400000000 ] - [ -0.0000871400000000, 0.0000008900000000, -0.0000070500000000 ] - [ 0.0000191000000000, -0.0000477500000000, -0.0001019300000000 ] - [ 0.0000333000000000, 0.0000607700000000, -0.0001050500000000 ] - [ -0.0000063500000000, -0.0000112900000000, -0.0000609800000000 ] - [ -0.0000814100000000, -0.0000958200000000, -0.0003414000000000 ] - [ -0.0000455000000000, 0.0001044100000000, -0.0001527800000000 ] - [ -0.0000284900000000, 0.0000128700000000, 0.0000593000000000 ] - [ -0.0000610100000000, 0.0001589000000000, -0.0000280200000000 ] - [ -0.0000027300000000, 0.0000130000000000, -0.0000144200000000 ] - [ -0.0006075100000000, -0.0005951300000000, -0.0014498600000000 ] - [ -0.0005717900000000, -0.0009049700000000, -0.0000236500000000 ] - [ -0.0119196500000000, -0.0062403200000000, 0.0023315500000000 ] - [ 0.0001796300000000, 0.0003736300000000, -0.0000750700000000 ] - [ -0.0003798200000000, -0.0007142100000000, 0.0004971000000000 ] - [ -0.0072494800000000, -0.0026235000000000, -0.0031545000000000 ] - [ 0.0012223800000000, -0.0008462600000000, 0.0004064000000000 ] - [ 0.0000115900000000, 0.0000030100000000, 0.0000388600000000 ] - [ 0.0000926300000000, 0.0001620700000000, 0.0001318900000000 ] - [ 0.0000492600000000, -0.0002212700000000, 0.0001270600000000 ] - [ -0.0001094500000000, -0.0000344800000000, 0.0001349900000000 ] - [ -0.0001221200000000, 0.0001483300000000, 0.0000848700000000 ] - [ -0.0000377600000000, -0.0000157800000000, 0.0001019700000000 ] - [ -0.0000527300000000, -0.0000237200000000, -0.0000498700000000 ] - [ 0.0000013200000000, 0.0000354300000000, -0.0000555400000000 ] - [ -0.0000097400000000, -0.0000064200000000, 0.0000034900000000 ] - [ -0.0000356400000000, 0.0000051500000000, 0.0000255400000000 ] - [ 0.0011065200000000, 0.0009798200000000, -0.0000223400000000 ] - [ -0.0000155400000000, 0.0000307500000000, 0.0005034200000000 ] - [ 0.0004021300000000, -0.0004865800000000, -0.0002907100000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013690700000000, 0.0004620100000000, 0.0003561900000000 ] - [ 0.0008350500000000, 0.0005887600000000, 0.0004657400000000 ] - [ -0.0000331800000000, -0.0010590300000000, -0.0004009100000000 ] - [ 0.0015919800000000, 0.0007915100000000, 0.0014624200000000 ] - [ 0.0038683700000000, 0.0031265500000000, -0.0053309300000000 ] - [ -0.0007340500000000, 0.0012783200000000, 0.0028496800000000 ] - [ 0.0000350400000000, -0.0000662400000000, 0.0000402700000000 ] - [ -0.0125888900000000, -0.0599578400000000, 0.0124909300000000 ] - [ 0.0000590100000000, 0.0108873600000000, 0.0005804300000000 ] - [ 0.0000675100000000, 0.0000234300000000, -0.0000988400000000 ] - [ -0.0002774200000000, -0.0011890700000000, 0.0010019300000000 ] - [ 0.0000930100000000, 0.0001077400000000, -0.0002766500000000 ] - [ -0.0001460600000000, -0.0000208500000000, -0.0001309400000000 ] - [ -0.0000246600000000, -0.0000513900000000, -0.0000834300000000 ] - [ 0.0003728300000000, 0.0001449000000000, 0.0010443300000000 ] - [ -0.0019687800000000, 0.0012255800000000, -0.0030277400000000 ] - [ -0.0000270500000000, -0.0000513600000000, 0.0000438000000000 ] - [ -0.0000195900000000, 0.0000467900000000, 0.0000614900000000 ] - [ -0.0001796600000000, 0.0000003200000000, 0.0000417000000000 ] - [ -0.0001149900000000, 0.0000545900000000, -0.0001241500000000 ] - [ 0.0001052600000000, 0.0000229600000000, 0.0001493500000000 ] - [ 0.0001188700000000, 0.0000336800000000, 0.0000194700000000 ] - [ -0.0001249600000000, -0.0001015400000000, 0.0000170200000000 ] - [ 0.0000395400000000, 0.0000675200000000, 0.0000071300000000 ] - [ 0.0000479300000000, -0.0000566000000000, 0.0000224200000000 ] - [ 0.0000526600000000, -0.0000044800000000, -0.0000116500000000 ] - [ 0.0000225400000000, 0.0001124400000000, 0.0000403000000000 ] - [ 0.0000129000000000, -0.0001010700000000, 0.0000620200000000 ] - [ -0.0000620000000000, -0.0000245100000000, -0.0000139100000000 ] - [ -0.0000477600000000, 0.0000116400000000, -0.0001659700000000 ] - [ -0.0000517500000000, -0.0000269800000000, -0.0001402300000000 ] - [ 0.0000627700000000, -0.0000217100000000, 0.0000485900000000 ] - [ -0.0000681600000000, -0.0000056800000000, 0.0000143900000000 ] - [ -0.0000954800000000, -0.0000288700000000, 0.0000888100000000 ] - [ -0.0000985100000000, 0.0000248500000000, 0.0000863900000000 ] - [ 0.0002305000000000, -0.0000026900000000, -0.0000309600000000 ] - [ -0.0000582900000000, 0.0000135100000000, 0.0000940600000000 ] - [ 0.0000510100000000, 0.0000138500000000, -0.0000590500000000 ] - [ 0.0000298200000000, 0.0000054400000000, -0.0000798300000000 ] - [ 0.0001030800000000, 0.0000663400000000, -0.0001587600000000 ] - [ 0.0001116300000000, -0.0000600900000000, -0.0001634400000000 ] - [ 0.0000953300000000, -0.0000241100000000, -0.0001957500000000 ] - [ -0.0000796600000000, -0.0000079800000000, -0.0000558900000000 ] - [ 0.0000856100000000, -0.0000106400000000, -0.0000582200000000 ] - [ -0.0000676500000000, 0.0000202400000000, -0.0002186300000000 ] - [ -0.0000207700000000, -0.0000116400000000, -0.0000705700000000 ] - [ -0.0000580300000000, 0.0000198500000000, -0.0000520900000000 ] - [ 0.0000736900000000, 0.0000084600000000, -0.0000091200000000 ] - [ 0.0007806300000000, 0.0003602000000000, -0.0004810900000000 ] - [ -0.0000764300000000, 0.0001055600000000, 0.0001347500000000 ] - [ -0.0001669600000000, -0.0000487700000000, 0.0000680600000000 ] - [ -0.0001332200000000, 0.0002153100000000, -0.0000840300000000 ] - [ 0.0001078400000000, -0.0000054800000000, 0.0000621500000000 ] - [ 0.0000918100000000, -0.0001551600000000, -0.0000403100000000 ] - [ -0.0000984100000000, 0.0000317000000000, 0.0001082200000000 ] - [ 0.0000005000000000, 0.0000406100000000, 0.0000891800000000 ] - [ 0.0001319500000000, 0.0000125900000000, 0.0001158200000000 ] - [ -0.0000979400000000, 0.0000222000000000, 0.0000312800000000 ] - [ -0.0015675300000000, 0.0010262900000000, -0.0018335200000000 ] - [ 0.0001906000000000, -0.0001110000000000, 0.0002156000000000 ] - [ -0.0000762500000000, 0.0001260400000000, 0.0000149700000000 ] - [ -0.0004932400000000, 0.0004280100000000, -0.0002816600000000 ] - [ 0.0012206900000000, 0.0048309000000000, 0.0004013400000000 ] - [ 0.0000963100000000, 0.0000918500000000, 0.0002144900000000 ] - [ 0.0000133500000000, 0.0000537000000000, 0.0001473800000000 ] - [ -0.0034158600000000, 0.0039459500000000, -0.0004737300000000 ] - [ 0.0000598100000000, -0.0000235300000000, -0.0001044100000000 ] - [ 0.0001132700000000, -0.0000403200000000, -0.0003692000000000 ] - [ 0.0022060900000000, 0.0115080500000000, -0.0109342300000000 ] - [ -0.0000464900000000, -0.0000747800000000, -0.0001056400000000 ] - [ -0.0001192400000000, -0.0000127100000000, -0.0002955800000000 ] - [ -0.0000395400000000, 0.0001893900000000, 0.0003273100000000 ] - [ 0.0000905800000000, -0.0000038100000000, 0.0000050000000000 ] - [ 0.0001981000000000, -0.0003623200000000, -0.0005920900000000 ] - [ 0.0000159900000000, -0.0000538200000000, 0.0000707200000000 ] - [ -0.0000866100000000, -0.0000054700000000, 0.0000160300000000 ] - [ -0.0000154000000000, 0.0000484200000000, 0.0001621600000000 ] - [ 0.0000659200000000, -0.0000271400000000, -0.0001842400000000 ] - [ 0.0000093600000000, 0.0000059700000000, -0.0000261000000000 ] - [ -0.0000071800000000, -0.0000249000000000, 0.0000865800000000 ] - [ -0.0000606600000000, 0.0000296500000000, -0.0001815400000000 ] - [ -0.0000200700000000, -0.0000567900000000, 0.0001492600000000 ] - [ 0.0002702000000000, -0.0003220100000000, -0.0000535800000000 ] - [ 0.0000071900000000, -0.0000159800000000, -0.0000538000000000 ] - [ 0.0003390000000000, 0.0010407300000000, 0.0012522500000000 ] - [ -0.0012693700000000, 0.0014116200000000, -0.0006214300000000 ] - [ 0.0103595400000000, 0.0125080300000000, 0.0003887100000000 ] - [ 0.0002551600000000, -0.0000519500000000, 0.0001514400000000 ] - [ 0.0002343500000000, -0.0003016300000000, 0.0001041200000000 ] - [ 0.0013302000000000, 0.0080611500000000, 0.0001291200000000 ] - [ -0.0001777900000000, 0.0006393700000000, 0.0009806500000000 ] - [ -0.0000437300000000, -0.0000006700000000, 0.0001571100000000 ] - [ 0.0001194700000000, 0.0000486800000000, 0.0001463300000000 ] - [ 0.0001261100000000, -0.0000301300000000, 0.0002031900000000 ] - [ -0.0000946600000000, -0.0001898700000000, 0.0000291600000000 ] - [ -0.0000866600000000, 0.0001804100000000, 0.0000849400000000 ] - [ -0.0001350200000000, 0.0000074300000000, 0.0000956300000000 ] - [ -0.0000437600000000, -0.0000494300000000, 0.0000818100000000 ] - [ 0.0000098200000000, 0.0000451300000000, 0.0001248100000000 ] - [ 0.0000472100000000, -0.0000164100000000, 0.0000334700000000 ] - [ -0.0000352300000000, 0.0000636500000000, -0.0000438400000000 ] - [ 0.0000177800000000, -0.0006938200000000, 0.0000199700000000 ] - [ 0.0000249100000000, 0.0001806600000000, 0.0000348500000000 ] - [ 0.0000239700000000, -0.0008555900000000, 0.0001909500000000 ]- atom: 8 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013152200000000, -0.0004630900000000, -0.0003501600000000 ] - [ -0.0011237200000000, -0.0006721600000000, -0.0002239100000000 ] - [ -0.0002239800000000, 0.0011407000000000, 0.0006366500000000 ] - [ -0.0011568200000000, -0.0007950500000000, -0.0015439300000000 ] - [ -0.0040237900000000, -0.0031165900000000, 0.0056381400000000 ] - [ 0.0007801800000000, -0.0012533000000000, -0.0029066900000000 ] - [ -0.0000083600000000, 0.0000484200000000, -0.0001451600000000 ] - [ 0.0132408600000000, 0.0603189300000000, -0.0122958300000000 ] - [ 0.0002713500000000, -0.0112233200000000, -0.0008922700000000 ] - [ 0.0000851600000000, -0.0000640100000000, -0.0000244500000000 ] - [ 0.0001273400000000, 0.0011643500000000, -0.0011281600000000 ] - [ 0.0000581300000000, -0.0001150500000000, 0.0001534400000000 ] - [ -0.0000009500000000, 0.0000711600000000, 0.0000120300000000 ] - [ -0.0000037900000000, 0.0000921900000000, -0.0000237100000000 ] - [ -0.0004405800000000, -0.0001969600000000, -0.0011300200000000 ] - [ 0.0021513100000000, -0.0011977700000000, 0.0030364500000000 ] - [ -0.0000167200000000, -0.0001142500000000, 0.0001039200000000 ] - [ -0.0000265800000000, 0.0001216100000000, 0.0000551900000000 ] - [ -0.0002111900000000, 0.0000034500000000, -0.0000100800000000 ] - [ -0.0000965800000000, -0.0000060600000000, 0.0002803800000000 ] - [ 0.0001126200000000, -0.0000222300000000, -0.0000195000000000 ] - [ 0.0000983600000000, -0.0000660500000000, 0.0001229500000000 ] - [ -0.0000868800000000, 0.0000777400000000, 0.0001231300000000 ] - [ 0.0001147800000000, 0.0000113000000000, 0.0000975300000000 ] - [ 0.0001103300000000, -0.0000273300000000, 0.0000741200000000 ] - [ 0.0000936800000000, 0.0000108600000000, -0.0000576800000000 ] - [ 0.0000179200000000, 0.0000826000000000, 0.0001024500000000 ] - [ 0.0000307000000000, -0.0000952200000000, 0.0000499600000000 ] - [ -0.0001060300000000, -0.0000131200000000, 0.0000256200000000 ] - [ -0.0001577400000000, 0.0000019600000000, -0.0001574700000000 ] - [ -0.0001587300000000, -0.0000072300000000, -0.0001349200000000 ] - [ 0.0000469500000000, -0.0000087800000000, 0.0001559100000000 ] - [ -0.0000545200000000, -0.0000042200000000, -0.0000508900000000 ] - [ -0.0001079600000000, 0.0000363600000000, 0.0000682800000000 ] - [ -0.0000984400000000, -0.0000338600000000, 0.0000773500000000 ] - [ 0.0002060500000000, -0.0000070200000000, 0.0000134500000000 ] - [ -0.0000427200000000, 0.0000031200000000, 0.0001292600000000 ] - [ 0.0000457600000000, 0.0000286300000000, -0.0000417400000000 ] - [ -0.0000277600000000, -0.0000333000000000, -0.0000207200000000 ] - [ 0.0001565700000000, -0.0000038600000000, -0.0001317600000000 ] - [ 0.0001492800000000, 0.0000104400000000, -0.0001425600000000 ] - [ 0.0000602900000000, -0.0000173900000000, 0.0000864800000000 ] - [ -0.0000638200000000, -0.0000086100000000, -0.0000772300000000 ] - [ 0.0000671200000000, 0.0000272800000000, -0.0000880300000000 ] - [ -0.0000794700000000, 0.0000065000000000, 0.0001008800000000 ] - [ 0.0000211400000000, 0.0000506700000000, -0.0000335200000000 ] - [ -0.0000420200000000, -0.0000351400000000, -0.0000532200000000 ] - [ 0.0001015000000000, 0.0000085300000000, 0.0000176500000000 ] - [ -0.0008245100000000, -0.0005415700000000, 0.0006252700000000 ] - [ 0.0000398800000000, 0.0000591500000000, -0.0000068800000000 ] - [ -0.0002182400000000, 0.0000493900000000, -0.0000264800000000 ] - [ -0.0000791200000000, -0.0001885600000000, 0.0002447200000000 ] - [ 0.0000984700000000, 0.0000350600000000, 0.0000519000000000 ] - [ 0.0001165000000000, 0.0001138800000000, 0.0001708800000000 ] - [ -0.0001165100000000, -0.0000525500000000, 0.0000562500000000 ] - [ 0.0001466300000000, 0.0000315700000000, 0.0000184900000000 ] - [ 0.0000167200000000, -0.0001081300000000, -0.0000333700000000 ] - [ 0.0002291300000000, -0.0000209600000000, -0.0001126500000000 ] - [ 0.0015923700000000, -0.0008610600000000, 0.0019398400000000 ] - [ -0.0001668600000000, -0.0000692500000000, -0.0001101200000000 ] - [ -0.0001042500000000, -0.0001545400000000, -0.0000025900000000 ] - [ 0.0003067600000000, -0.0004072300000000, -0.0000255100000000 ] - [ -0.0013539600000000, -0.0047231300000000, -0.0006903900000000 ] - [ 0.0000148200000000, -0.0001194800000000, -0.0000199400000000 ] - [ 0.0000390100000000, -0.0000555500000000, 0.0000294000000000 ] - [ 0.0033992500000000, -0.0040645200000000, 0.0005052700000000 ] - [ 0.0000605000000000, 0.0000889400000000, -0.0001973100000000 ] - [ 0.0000177300000000, -0.0000242300000000, 0.0000571600000000 ] - [ -0.0020964000000000, -0.0111638900000000, 0.0104058400000000 ] - [ -0.0000658800000000, 0.0000175200000000, -0.0001989800000000 ] - [ -0.0000049300000000, 0.0000727400000000, -0.0000145900000000 ] - [ -0.0000049300000000, -0.0001915200000000, -0.0001416600000000 ] - [ 0.0000780200000000, -0.0000066400000000, -0.0000152600000000 ] - [ -0.0001779000000000, 0.0003441200000000, 0.0004843100000000 ] - [ 0.0000386400000000, 0.0000508800000000, 0.0001037900000000 ] - [ -0.0000823000000000, 0.0000045700000000, -0.0000132500000000 ] - [ 0.0001331200000000, 0.0000164300000000, -0.0004562900000000 ] - [ 0.0000644500000000, -0.0000355600000000, -0.0001256700000000 ] - [ 0.0000025500000000, 0.0000015900000000, -0.0000769500000000 ] - [ -0.0001032200000000, -0.0000318200000000, -0.0003819000000000 ] - [ -0.0000625600000000, 0.0000322700000000, -0.0001252200000000 ] - [ -0.0000262900000000, 0.0000534400000000, 0.0000369000000000 ] - [ -0.0001037100000000, 0.0003125400000000, 0.0000455600000000 ] - [ 0.0000040800000000, 0.0000070700000000, -0.0000560600000000 ] - [ -0.0005030900000000, -0.0014899900000000, -0.0011223900000000 ] - [ 0.0011394900000000, -0.0009507000000000, 0.0007349900000000 ] - [ -0.0113879000000000, -0.0128780500000000, -0.0004869600000000 ] - [ -0.0003593300000000, -0.0000268700000000, -0.0001639700000000 ] - [ -0.0001201500000000, 0.0004081100000000, -0.0000776800000000 ] - [ -0.0011643500000000, -0.0080618200000000, -0.0001167300000000 ] - [ 0.0000461800000000, -0.0005438400000000, -0.0009890600000000 ] - [ 0.0001010200000000, -0.0000089800000000, 0.0000902300000000 ] - [ 0.0001115300000000, 0.0000774800000000, 0.0000588400000000 ] - [ 0.0001002700000000, -0.0000886100000000, -0.0000002600000000 ] - [ -0.0001011600000000, -0.0000661500000000, 0.0001332400000000 ] - [ -0.0001075400000000, 0.0001011900000000, 0.0000808600000000 ] - [ -0.0001139200000000, -0.0000073800000000, 0.0000798900000000 ] - [ -0.0000639600000000, -0.0000459400000000, -0.0000485400000000 ] - [ 0.0001033300000000, 0.0000529800000000, -0.0000853700000000 ] - [ 0.0000812000000000, -0.0000018500000000, 0.0000093400000000 ] - [ -0.0000739600000000, 0.0000077000000000, 0.0000380100000000 ] - [ -0.0000069800000000, 0.0006696400000000, 0.0002306300000000 ] - [ 0.0002018400000000, -0.0000709300000000, 0.0001833000000000 ] - [ 0.0002070100000000, 0.0007372000000000, 0.0000295300000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0021208400000000, 0.0011242800000000, 0.0006011700000000 ] - [ 0.0013665600000000, 0.0011634000000000, -0.0010389100000000 ] - [ -0.0006026100000000, 0.0004744900000000, 0.0002567000000000 ] - [ 0.0036221800000000, 0.0031682000000000, 0.0014813400000000 ] - [ -0.0058976700000000, -0.0063269000000000, 0.0067915300000000 ] - [ -0.0022358600000000, 0.0022835800000000, 0.0034684300000000 ] - [ 0.0001375900000000, -0.0001719400000000, -0.0001508900000000 ] - [ -0.0000323500000000, 0.0121118500000000, -0.0654759700000000 ] - [ 0.0004614000000000, -0.0007155600000000, -0.0011068400000000 ] - [ 0.0000708800000000, -0.0000527300000000, -0.0000626800000000 ] - [ 0.0000928800000000, -0.0006303100000000, 0.0036402800000000 ] - [ -0.0000236800000000, 0.0000911000000000, -0.0002857700000000 ] - [ 0.0000096700000000, -0.0000767700000000, -0.0001484200000000 ] - [ -0.0001926900000000, 0.0000462800000000, -0.0000941000000000 ] - [ 0.0015335700000000, 0.0010383500000000, 0.0006833200000000 ] - [ 0.0031967400000000, -0.0027695400000000, 0.0035607500000000 ] - [ -0.0000279800000000, -0.0000990900000000, 0.0000891300000000 ] - [ 0.0000242000000000, 0.0001519800000000, 0.0001056900000000 ] - [ -0.0001982400000000, -0.0000052500000000, -0.0000628500000000 ] - [ -0.0000952300000000, -0.0000850900000000, 0.0003373400000000 ] - [ 0.0000888600000000, 0.0000903200000000, 0.0002043500000000 ] - [ 0.0001044000000000, -0.0000342200000000, 0.0001084700000000 ] - [ -0.0001043500000000, 0.0000340200000000, 0.0003324500000000 ] - [ 0.0001695700000000, -0.0000837700000000, 0.0001804200000000 ] - [ 0.0001693100000000, 0.0000620700000000, 0.0001752800000000 ] - [ -0.0000598900000000, -0.0000501500000000, 0.0000426800000000 ] - [ 0.0000451100000000, 0.0000337000000000, 0.0001005400000000 ] - [ -0.0000226200000000, -0.0000301800000000, 0.0001230900000000 ] - [ -0.0000801200000000, -0.0000141100000000, 0.0000434300000000 ] - [ -0.0001624100000000, 0.0000505400000000, -0.0000858300000000 ] - [ -0.0001914100000000, -0.0000609300000000, -0.0001121100000000 ] - [ 0.0000328700000000, -0.0000021400000000, 0.0001890800000000 ] - [ -0.0000547300000000, 0.0000166600000000, -0.0000083300000000 ] - [ -0.0000907000000000, 0.0000639900000000, 0.0000687400000000 ] - [ -0.0000786300000000, -0.0000469500000000, 0.0000697500000000 ] - [ 0.0001981500000000, 0.0000016600000000, 0.0000265100000000 ] - [ -0.0000478600000000, 0.0000042100000000, 0.0001392300000000 ] - [ 0.0001000300000000, 0.0000053900000000, -0.0000402000000000 ] - [ -0.0000100900000000, -0.0000070900000000, -0.0000115800000000 ] - [ 0.0001348200000000, 0.0000016500000000, -0.0001318500000000 ] - [ 0.0001201700000000, 0.0000158100000000, -0.0001247600000000 ] - [ 0.0000759800000000, -0.0000178400000000, 0.0003249300000000 ] - [ -0.0000646300000000, -0.0000079600000000, -0.0000207000000000 ] - [ 0.0000700300000000, 0.0000054100000000, 0.0000144600000000 ] - [ -0.0000854500000000, -0.0000016100000000, 0.0001885800000000 ] - [ 0.0000044300000000, 0.0000271600000000, -0.0000094500000000 ] - [ -0.0000919400000000, -0.0000108300000000, -0.0000351000000000 ] - [ 0.0000826900000000, 0.0000069700000000, 0.0000240800000000 ] - [ -0.0011428100000000, -0.0009431900000000, 0.0005185800000000 ] - [ -0.0000655600000000, 0.0001268800000000, -0.0000037600000000 ] - [ -0.0002401900000000, 0.0000315500000000, -0.0000882300000000 ] - [ -0.0000421200000000, -0.0002034100000000, 0.0003053600000000 ] - [ 0.0002098800000000, 0.0000533400000000, 0.0000017500000000 ] - [ 0.0001264400000000, 0.0001278200000000, 0.0001110500000000 ] - [ -0.0001167000000000, -0.0000476000000000, 0.0000713600000000 ] - [ 0.0000990400000000, 0.0000115400000000, 0.0000106100000000 ] - [ 0.0000930700000000, -0.0000189500000000, 0.0000458300000000 ] - [ 0.0001569300000000, -0.0000578400000000, -0.0000841600000000 ] - [ 0.0026787700000000, -0.0015769000000000, 0.0019798000000000 ] - [ 0.0000677500000000, -0.0001458000000000, -0.0000208600000000 ] - [ -0.0000857400000000, -0.0001157900000000, -0.0000480200000000 ] - [ -0.0000867300000000, -0.0001098000000000, -0.0001914700000000 ] - [ -0.0006611200000000, -0.0005808700000000, 0.0001539300000000 ] - [ 0.0000687000000000, 0.0000193900000000, 0.0000852200000000 ] - [ 0.0000194100000000, -0.0000668800000000, 0.0000330200000000 ] - [ 0.0004521000000000, -0.0007221100000000, 0.0010630100000000 ] - [ 0.0000681800000000, 0.0001166900000000, -0.0001856600000000 ] - [ 0.0000983600000000, -0.0002139600000000, -0.0003384500000000 ] - [ -0.0014482900000000, -0.0100459000000000, 0.0094499700000000 ] - [ -0.0000870100000000, 0.0000516600000000, -0.0001736100000000 ] - [ -0.0000824600000000, -0.0001953100000000, -0.0002612200000000 ] - [ 0.0000040000000000, -0.0001805000000000, -0.0001888600000000 ] - [ 0.0000927800000000, -0.0000001200000000, -0.0000145900000000 ] - [ -0.0000630000000000, -0.0000195800000000, 0.0000195600000000 ] - [ 0.0000232200000000, -0.0000327000000000, 0.0001229800000000 ] - [ -0.0000856000000000, -0.0000011600000000, -0.0000265400000000 ] - [ 0.0001018400000000, 0.0000225200000000, -0.0005438800000000 ] - [ 0.0000550300000000, -0.0000338900000000, -0.0001653300000000 ] - [ -0.0000145300000000, -0.0000080200000000, -0.0000905300000000 ] - [ -0.0000820000000000, -0.0000179500000000, -0.0004420800000000 ] - [ -0.0000652800000000, 0.0000289500000000, -0.0001855400000000 ] - [ -0.0000252200000000, 0.0000693300000000, 0.0000032300000000 ] - [ 0.0000181800000000, 0.0001280600000000, 0.0000514800000000 ] - [ -0.0000187400000000, -0.0000248000000000, -0.0001536200000000 ] - [ -0.0003130700000000, -0.0009430000000000, -0.0005590600000000 ] - [ 0.0005743800000000, -0.0008246200000000, 0.0009493200000000 ] - [ -0.0003344400000000, 0.0000818700000000, 0.0110989000000000 ] - [ -0.0001751000000000, 0.0000555100000000, 0.0000161100000000 ] - [ 0.0000651900000000, 0.0006139100000000, 0.0004155200000000 ] - [ -0.0000843500000000, 0.0025128600000000, 0.0236183700000000 ] - [ 0.0004493500000000, 0.0007548900000000, -0.0008441400000000 ] - [ 0.0003792800000000, -0.0000021500000000, -0.0001546300000000 ] - [ 0.0000145600000000, 0.0003088700000000, -0.0001489600000000 ] - [ 0.0000068500000000, -0.0002903300000000, -0.0000249200000000 ] - [ -0.0000976100000000, -0.0001382900000000, 0.0000531700000000 ] - [ -0.0001073100000000, 0.0001305400000000, 0.0000680300000000 ] - [ -0.0000794100000000, -0.0000183200000000, 0.0000750800000000 ] - [ -0.0000718700000000, -0.0000268100000000, -0.0002433500000000 ] - [ 0.0000590100000000, 0.0000174400000000, -0.0001654100000000 ] - [ 0.0000463200000000, 0.0000334800000000, -0.0000395900000000 ] - [ -0.0000623800000000, -0.0000376800000000, -0.0000573500000000 ] - [ 0.0003306800000000, 0.0005064000000000, 0.0001319800000000 ] - [ 0.0001184100000000, 0.0000302300000000, 0.0001382700000000 ] - [ -0.0000792100000000, 0.0010383500000000, 0.0004869500000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0019328200000000, -0.0011363500000000, -0.0007475600000000 ] - [ -0.0014142800000000, -0.0009246800000000, 0.0010236500000000 ] - [ 0.0005424700000000, -0.0007081300000000, -0.0002895100000000 ] - [ -0.0033445900000000, -0.0032301200000000, -0.0014045400000000 ] - [ 0.0056910800000000, 0.0062332800000000, -0.0065392800000000 ] - [ 0.0021826000000000, -0.0022183600000000, -0.0035532700000000 ] - [ -0.0001961200000000, 0.0001318600000000, 0.0000269100000000 ] - [ 0.0001231000000000, -0.0127041800000000, 0.0636378600000000 ] - [ -0.0003446200000000, 0.0007720800000000, 0.0007416200000000 ] - [ 0.0000757700000000, 0.0000466700000000, -0.0000468100000000 ] - [ -0.0002458200000000, 0.0006165200000000, -0.0037021000000000 ] - [ 0.0001702200000000, -0.0000801300000000, 0.0001664100000000 ] - [ -0.0001667400000000, 0.0000830300000000, 0.0000269100000000 ] - [ 0.0002580600000000, -0.0000124100000000, -0.0000251800000000 ] - [ -0.0014890400000000, -0.0010686200000000, -0.0008061800000000 ] - [ -0.0029884200000000, 0.0027415300000000, -0.0035332300000000 ] - [ -0.0000549600000000, -0.0000894700000000, 0.0000304600000000 ] - [ -0.0001067100000000, 0.0000408900000000, 0.0000121000000000 ] - [ -0.0003053500000000, 0.0000060100000000, -0.0000405600000000 ] - [ -0.0001174400000000, 0.0000923500000000, -0.0002185600000000 ] - [ 0.0001189000000000, -0.0000704400000000, -0.0000703400000000 ] - [ 0.0001016400000000, 0.0000150900000000, 0.0000248200000000 ] - [ -0.0001078900000000, -0.0000381500000000, -0.0002200600000000 ] - [ 0.0001017100000000, 0.0000185700000000, 0.0000380300000000 ] - [ 0.0001016200000000, 0.0000063400000000, 0.0000459700000000 ] - [ 0.0001653000000000, 0.0000492200000000, -0.0000558100000000 ] - [ 0.0000376100000000, 0.0001337900000000, 0.0000214200000000 ] - [ 0.0001034200000000, -0.0001321000000000, -0.0000018900000000 ] - [ -0.0000747000000000, 0.0000036400000000, -0.0000282600000000 ] - [ -0.0001598500000000, 0.0000305100000000, -0.0002271000000000 ] - [ -0.0001365400000000, -0.0000238200000000, -0.0001888200000000 ] - [ 0.0000456800000000, -0.0000055800000000, 0.0000773800000000 ] - [ -0.0000708400000000, -0.0000179100000000, -0.0000164500000000 ] - [ -0.0001342000000000, -0.0000478600000000, 0.0000934100000000 ] - [ -0.0001458300000000, 0.0000324700000000, 0.0000986300000000 ] - [ 0.0002511700000000, -0.0000031600000000, -0.0000644600000000 ] - [ -0.0000466400000000, 0.0000009200000000, 0.0000909600000000 ] - [ -0.0000560100000000, 0.0000282800000000, -0.0000575500000000 ] - [ 0.0000294100000000, -0.0000195900000000, -0.0000888300000000 ] - [ 0.0001284700000000, 0.0000482400000000, -0.0001780700000000 ] - [ 0.0001419700000000, -0.0000612900000000, -0.0001845000000000 ] - [ 0.0000657500000000, 0.0000089600000000, -0.0004191100000000 ] - [ -0.0000882600000000, 0.0000062900000000, -0.0000884800000000 ] - [ 0.0000701100000000, -0.0000047800000000, -0.0001179600000000 ] - [ -0.0000680300000000, 0.0000103400000000, -0.0002952500000000 ] - [ -0.0000260300000000, 0.0000131400000000, -0.0000877600000000 ] - [ 0.0000449800000000, -0.0000204000000000, -0.0000603000000000 ] - [ 0.0000653400000000, -0.0000014600000000, -0.0000239700000000 ] - [ 0.0010880800000000, 0.0007416300000000, -0.0003890700000000 ] - [ 0.0000047900000000, 0.0000738800000000, 0.0001308700000000 ] - [ -0.0002222900000000, -0.0000282000000000, 0.0000297900000000 ] - [ -0.0001736600000000, 0.0002175900000000, -0.0001545100000000 ] - [ 0.0000091100000000, -0.0000419500000000, 0.0002046700000000 ] - [ 0.0000931600000000, -0.0001448200000000, 0.0001060800000000 ] - [ -0.0000987600000000, 0.0000375400000000, 0.0000878300000000 ] - [ 0.0001255800000000, -0.0000212200000000, 0.0001544200000000 ] - [ 0.0001321000000000, 0.0000293000000000, 0.0001107700000000 ] - [ -0.0000671800000000, 0.0000621800000000, 0.0000631000000000 ] - [ -0.0026303600000000, 0.0017939900000000, -0.0018522500000000 ] - [ 0.0000204400000000, -0.0000406700000000, 0.0001688100000000 ] - [ -0.0000627300000000, 0.0001073400000000, 0.0000278200000000 ] - [ -0.0002116600000000, 0.0001782100000000, -0.0001522200000000 ] - [ 0.0003458700000000, 0.0004746300000000, -0.0004823000000000 ] - [ 0.0000150300000000, -0.0000249900000000, 0.0001381700000000 ] - [ 0.0000234300000000, 0.0000671100000000, 0.0001595600000000 ] - [ -0.0005893900000000, 0.0007331100000000, -0.0011477800000000 ] - [ 0.0000328200000000, -0.0000575300000000, -0.0000957800000000 ] - [ 0.0000111600000000, 0.0001467100000000, 0.0000499000000000 ] - [ 0.0014773400000000, 0.0104185100000000, -0.0098228300000000 ] - [ -0.0000225500000000, -0.0001142100000000, -0.0001147100000000 ] - [ -0.0000346500000000, 0.0002510100000000, -0.0000301400000000 ] - [ -0.0000557100000000, 0.0001766200000000, 0.0003546600000000 ] - [ 0.0000856200000000, -0.0000028600000000, 0.0000314000000000 ] - [ 0.0000325800000000, 0.0000475900000000, -0.0001359100000000 ] - [ 0.0000169800000000, 0.0000345600000000, 0.0000597200000000 ] - [ -0.0000947800000000, 0.0000004100000000, 0.0000273000000000 ] - [ 0.0000012300000000, 0.0000351900000000, 0.0002603000000000 ] - [ 0.0000540700000000, -0.0000192900000000, -0.0001265700000000 ] - [ 0.0000054300000000, -0.0000017700000000, -0.0000369800000000 ] - [ -0.0000329800000000, -0.0000476700000000, 0.0001448500000000 ] - [ -0.0000546300000000, 0.0000413800000000, -0.0001137100000000 ] - [ -0.0000285700000000, -0.0000697000000000, 0.0001722200000000 ] - [ 0.0001410800000000, -0.0001252300000000, -0.0000634300000000 ] - [ 0.0000079800000000, 0.0000347600000000, 0.0000251300000000 ] - [ -0.0000440000000000, 0.0011623100000000, 0.0008515700000000 ] - [ -0.0008954500000000, 0.0006006500000000, -0.0006526200000000 ] - [ 0.0007676500000000, -0.0000451500000000, -0.0106863300000000 ] - [ 0.0000513100000000, -0.0002056000000000, 0.0000387100000000 ] - [ 0.0000380700000000, -0.0004822800000000, -0.0004128300000000 ] - [ 0.0003030400000000, -0.0023984900000000, -0.0220288900000000 ] - [ -0.0005726700000000, -0.0005854000000000, 0.0009139800000000 ] - [ 0.0000047300000000, -0.0000010500000000, 0.0002494700000000 ] - [ 0.0001631400000000, 0.0000866300000000, 0.0002901100000000 ] - [ 0.0001699700000000, -0.0001139200000000, 0.0001600900000000 ] - [ -0.0001087200000000, -0.0001463100000000, 0.0001220100000000 ] - [ -0.0001003100000000, 0.0001424200000000, 0.0001079500000000 ] - [ -0.0001372400000000, 0.0000130200000000, 0.0000961400000000 ] - [ -0.0000628400000000, -0.0000692900000000, 0.0003058500000000 ] - [ 0.0000679000000000, 0.0000702200000000, 0.0001980400000000 ] - [ 0.0000782900000000, -0.0000986500000000, 0.0000778400000000 ] - [ -0.0000687000000000, 0.0001119800000000, 0.0001036200000000 ] - [ -0.0000213400000000, -0.0004879700000000, 0.0000097900000000 ] - [ 0.0000800300000000, 0.0002820400000000, 0.0000226700000000 ] - [ 0.0002828400000000, -0.0013493000000000, -0.0003311200000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000665000000000, -0.0000055000000000, -0.0000059700000000 ] - [ -0.0000418700000000, -0.0000309600000000, 0.0001441200000000 ] - [ -0.0000869900000000, -0.0000322300000000, 0.0000776000000000 ] - [ 0.0002352400000000, 0.0000129600000000, -0.0000155200000000 ] - [ -0.0000275000000000, -0.0000794300000000, 0.0000462800000000 ] - [ -0.0000790600000000, 0.0000209000000000, -0.0000695900000000 ] - [ 0.0010562100000000, -0.0016119800000000, 0.0045585600000000 ] - [ 0.0002153600000000, 0.0000167800000000, -0.0001522600000000 ] - [ 0.0003247700000000, -0.0000388400000000, -0.0002517000000000 ] - [ -0.0297045900000000, -0.0050857900000000, -0.0031297000000000 ] - [ -0.0000783500000000, -0.0000223600000000, -0.0000514800000000 ] - [ -0.0005099400000000, -0.0000537200000000, 0.0000288700000000 ] - [ -0.0017337400000000, -0.0010274600000000, 0.0002092900000000 ] - [ 0.0014491900000000, 0.0019260800000000, -0.0045592000000000 ] - [ 0.0000104100000000, -0.0000215900000000, -0.0000374100000000 ] - [ -0.0000265600000000, -0.0000642000000000, 0.0001170700000000 ] - [ 0.0006461000000000, 0.0003290300000000, 0.0007138200000000 ] - [ -0.0000252200000000, 0.0000948600000000, 0.0000541200000000 ] - [ -0.0002043000000000, -0.0000180800000000, 0.0000053600000000 ] - [ 0.0005045300000000, 0.0001219500000000, 0.0000937700000000 ] - [ 0.0001493000000000, 0.0000280800000000, 0.0000773400000000 ] - [ 0.0062171100000000, 0.0000069500000000, 0.0001524000000000 ] - [ -0.0001136300000000, -0.0000000400000000, 0.0000581900000000 ] - [ 0.0001367900000000, 0.0000143100000000, 0.0000729100000000 ] - [ 0.0000897300000000, -0.0000121500000000, 0.0000733900000000 ] - [ 0.0000843800000000, 0.0000016700000000, -0.0000426400000000 ] - [ 0.0006194600000000, -0.0001083600000000, -0.0003927400000000 ] - [ 0.0000277100000000, -0.0000672800000000, 0.0000432800000000 ] - [ -0.0000844100000000, 0.0000021600000000, 0.0000024700000000 ] - [ -0.0001200200000000, 0.0000216100000000, -0.0001787300000000 ] - [ -0.0001312500000000, -0.0000070200000000, -0.0001570300000000 ] - [ 0.0000522100000000, -0.0000009800000000, 0.0000952800000000 ] - [ 0.0001963800000000, -0.0001759000000000, 0.0002099600000000 ] - [ -0.0000599200000000, 0.0000312400000000, 0.0000290100000000 ] - [ -0.0000572200000000, -0.0000946500000000, 0.0000061100000000 ] - [ 0.0007011100000000, 0.0003295600000000, -0.0006727800000000 ] - [ -0.0000630900000000, -0.0000091300000000, 0.0000937400000000 ] - [ -0.0000284900000000, 0.0000277800000000, -0.0000571900000000 ] - [ -0.0000079200000000, -0.0000135900000000, -0.0000586500000000 ] - [ 0.0000457900000000, 0.0000199900000000, -0.0001697000000000 ] - [ 0.0000883700000000, -0.0000152100000000, -0.0001595800000000 ] - [ 0.0000761400000000, -0.0000077600000000, -0.0000597200000000 ] - [ -0.0000786600000000, -0.0000216100000000, -0.0000618800000000 ] - [ 0.0000722200000000, 0.0000141500000000, -0.0000576200000000 ] - [ -0.0000739700000000, 0.0000076000000000, -0.0000682900000000 ] - [ 0.0000075600000000, 0.0000242400000000, -0.0000567000000000 ] - [ 0.0000248400000000, -0.0000140900000000, -0.0000554300000000 ] - [ 0.0000863500000000, -0.0000133100000000, 0.0000041500000000 ] - [ -0.0000381400000000, -0.0001162800000000, 0.0000548000000000 ] - [ -0.0000435800000000, 0.0000551000000000, 0.0000568900000000 ] - [ -0.0002375000000000, 0.0000288800000000, -0.0000556500000000 ] - [ -0.0001200900000000, -0.0000013300000000, 0.0000651700000000 ] - [ 0.0001025600000000, 0.0000144000000000, 0.0000656300000000 ] - [ 0.0001029700000000, -0.0000092900000000, 0.0000579500000000 ] - [ -0.0001000100000000, -0.0000130500000000, 0.0000641500000000 ] - [ -0.0000147300000000, 0.0001538100000000, 0.0000528500000000 ] - [ 0.0000881300000000, -0.0000360900000000, 0.0001058500000000 ] - [ 0.0000750900000000, 0.0000102900000000, -0.0000170800000000 ] - [ 0.0000224400000000, 0.0001055000000000, 0.0000526800000000 ] - [ 0.0000203700000000, -0.0001019200000000, 0.0000573000000000 ] - [ 0.0014758200000000, 0.0023335100000000, 0.0044303200000000 ] - [ -0.0011998700000000, 0.0002132100000000, -0.0003249800000000 ] - [ -0.0002325300000000, -0.0000890700000000, -0.0002444200000000 ] - [ 0.0008826700000000, -0.0010906700000000, -0.0024733800000000 ] - [ 0.0000225600000000, 0.0000017900000000, 0.0000992400000000 ] - [ -0.0000680800000000, -0.0000083600000000, -0.0000460800000000 ] - [ 0.0039805000000000, -0.0031832500000000, -0.0004296600000000 ] - [ 0.0000738200000000, -0.0000340100000000, -0.0001412600000000 ] - [ 0.0000084800000000, 0.0000071500000000, -0.0000560500000000 ] - [ 0.0073762500000000, 0.0073608000000000, 0.0006515500000000 ] - [ -0.0000433300000000, 0.0000351100000000, -0.0001416100000000 ] - [ 0.0000040400000000, -0.0000321900000000, 0.0001114900000000 ] - [ 0.0000768000000000, 0.0000019700000000, -0.0000039500000000 ] - [ 0.0000171700000000, 0.0000026300000000, -0.0000949500000000 ] - [ -0.0006278000000000, -0.0000217800000000, 0.0001181600000000 ] - [ -0.0000799000000000, -0.0000004200000000, -0.0000275600000000 ] - [ 0.0000465600000000, 0.0000369000000000, -0.0001393800000000 ] - [ 0.0000483500000000, -0.0000319400000000, -0.0001489000000000 ] - [ 0.0002569400000000, 0.0000055400000000, -0.0000181900000000 ] - [ -0.0000441800000000, -0.0000216400000000, -0.0001385900000000 ] - [ -0.0000463900000000, 0.0000266600000000, -0.0001452200000000 ] - [ -0.0000246800000000, -0.0000048700000000, 0.0001024500000000 ] - [ 0.0001225900000000, 0.0000165100000000, -0.0003548400000000 ] - [ 0.0000078900000000, -0.0000004900000000, -0.0000505400000000 ] - [ -0.0000428700000000, -0.0001529100000000, 0.0001876500000000 ] - [ -0.0001056600000000, 0.0002292900000000, 0.0000186400000000 ] - [ -0.0002958000000000, 0.0000152000000000, 0.0000398800000000 ] - [ 0.0084577700000000, -0.0000454400000000, 0.0002840700000000 ] - [ -0.0000817900000000, 0.0001375100000000, -0.0000237900000000 ] - [ 0.0000405300000000, -0.0000087700000000, 0.0000210300000000 ] - [ 0.0001747300000000, 0.0000870300000000, 0.0000283300000000 ] - [ 0.0000828000000000, -0.0000579300000000, 0.0000606500000000 ] - [ 0.0001156400000000, 0.0001429000000000, 0.0000933500000000 ] - [ -0.0001795600000000, -0.0001379300000000, 0.0000978400000000 ] - [ -0.0002150700000000, -0.0000680700000000, 0.0001874300000000 ] - [ -0.0003914600000000, -0.0000170100000000, 0.0000402800000000 ] - [ 0.0001173600000000, 0.0000260100000000, 0.0003168400000000 ] - [ -0.0000532800000000, -0.0000430500000000, 0.0000389800000000 ] - [ 0.0000567900000000, 0.0000738200000000, 0.0000090400000000 ] - [ 0.0000659100000000, -0.0000642700000000, 0.0000108000000000 ] - [ -0.0000492500000000, 0.0000642900000000, 0.0000199800000000 ] - [ 0.0003027500000000, -0.0002336700000000, 0.0009707600000000 ] - [ 0.0001705300000000, 0.0000888600000000, 0.0000874100000000 ] - [ 0.0002246900000000, -0.0000476600000000, -0.0000289200000000 ]- atom: 10 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000723800000000, 0.0000108600000000, -0.0000504300000000 ] - [ -0.0001292100000000, 0.0001057500000000, -0.0000289900000000 ] - [ -0.0000817500000000, -0.0000373000000000, 0.0000368400000000 ] - [ 0.0001771300000000, -0.0000085300000000, 0.0000356600000000 ] - [ -0.0000809600000000, 0.0000951200000000, 0.0001634900000000 ] - [ 0.0000941800000000, 0.0000071800000000, -0.0000294100000000 ] - [ -0.0011046900000000, 0.0016092500000000, -0.0047187900000000 ] - [ 0.0000102500000000, 0.0000131100000000, -0.0001561700000000 ] - [ -0.0000998300000000, 0.0000238400000000, -0.0000742100000000 ] - [ 0.0298024200000000, 0.0045423700000000, 0.0028412600000000 ] - [ -0.0000755900000000, 0.0000167000000000, -0.0000696500000000 ] - [ 0.0006612300000000, 0.0000827600000000, -0.0001460900000000 ] - [ 0.0015912900000000, 0.0010131900000000, -0.0002872700000000 ] - [ -0.0014142700000000, -0.0018582700000000, 0.0044129400000000 ] - [ -0.0000272000000000, -0.0000131900000000, -0.0000593700000000 ] - [ 0.0001955400000000, 0.0000832100000000, -0.0001129800000000 ] - [ -0.0006710900000000, -0.0005096100000000, -0.0005993400000000 ] - [ -0.0000050300000000, 0.0000851800000000, 0.0000498800000000 ] - [ -0.0002477900000000, 0.0000239800000000, -0.0000649700000000 ] - [ -0.0007162100000000, -0.0000878300000000, 0.0000406200000000 ] - [ 0.0000645700000000, -0.0000129600000000, 0.0000716500000000 ] - [ -0.0059967200000000, -0.0000354800000000, 0.0000507500000000 ] - [ -0.0000987700000000, -0.0000179400000000, 0.0000746900000000 ] - [ 0.0001006100000000, -0.0000375500000000, 0.0001029200000000 ] - [ 0.0001434600000000, 0.0000372100000000, 0.0000960900000000 ] - [ 0.0000087700000000, 0.0000041700000000, 0.0000068300000000 ] - [ -0.0005892700000000, 0.0002792900000000, 0.0005137600000000 ] - [ 0.0000097400000000, -0.0001071200000000, 0.0000667700000000 ] - [ -0.0000850100000000, 0.0000013100000000, 0.0000044000000000 ] - [ -0.0001564000000000, 0.0000356800000000, -0.0001461700000000 ] - [ -0.0001468300000000, -0.0000440900000000, -0.0001642300000000 ] - [ 0.0000490200000000, 0.0000039700000000, 0.0001388600000000 ] - [ -0.0003109100000000, 0.0001706100000000, -0.0002590800000000 ] - [ -0.0001205900000000, 0.0000183300000000, 0.0000900400000000 ] - [ -0.0001246600000000, 0.0000385400000000, 0.0001064900000000 ] - [ -0.0002940300000000, -0.0003354600000000, 0.0006893600000000 ] - [ -0.0000418500000000, -0.0000044000000000, 0.0001169100000000 ] - [ 0.0000173800000000, 0.0000043000000000, -0.0000488200000000 ] - [ 0.0000267000000000, -0.0000032200000000, -0.0000469700000000 ] - [ 0.0001803800000000, -0.0000005100000000, -0.0001546300000000 ] - [ 0.0001382600000000, -0.0000140200000000, -0.0001490400000000 ] - [ 0.0000757400000000, -0.0000063600000000, -0.0000368600000000 ] - [ -0.0000730100000000, -0.0000138900000000, -0.0000442000000000 ] - [ 0.0000781400000000, 0.0000141100000000, -0.0000422500000000 ] - [ -0.0000776400000000, 0.0000042700000000, -0.0000444000000000 ] - [ -0.0000236600000000, 0.0000235700000000, -0.0000462100000000 ] - [ -0.0000101600000000, -0.0000217900000000, -0.0000487900000000 ] - [ 0.0000818400000000, -0.0000035700000000, 0.0000026200000000 ] - [ -0.0000079500000000, -0.0000736900000000, 0.0000725900000000 ] - [ 0.0000035600000000, 0.0001338800000000, 0.0000756500000000 ] - [ -0.0001759900000000, -0.0000354100000000, 0.0000709900000000 ] - [ -0.0000964400000000, 0.0000189600000000, 0.0000889900000000 ] - [ 0.0001106200000000, 0.0000144500000000, 0.0000947300000000 ] - [ 0.0001106100000000, -0.0000071000000000, 0.0000996600000000 ] - [ -0.0001146100000000, -0.0000149600000000, 0.0000930900000000 ] - [ 0.0001821200000000, -0.0000854900000000, 0.0000562000000000 ] - [ 0.0000772200000000, -0.0000368800000000, 0.0000054800000000 ] - [ 0.0000685100000000, -0.0000169200000000, -0.0000480600000000 ] - [ 0.0000197800000000, 0.0000805800000000, 0.0000738600000000 ] - [ 0.0000164100000000, -0.0000855900000000, 0.0000738600000000 ] - [ -0.0016388800000000, -0.0023812600000000, -0.0044678800000000 ] - [ 0.0009719800000000, -0.0001845200000000, 0.0000185300000000 ] - [ 0.0000023000000000, 0.0000513500000000, -0.0000713300000000 ] - [ -0.0007778300000000, 0.0010647400000000, 0.0026546600000000 ] - [ 0.0000236000000000, -0.0000031800000000, 0.0000873100000000 ] - [ -0.0000949400000000, 0.0000104300000000, 0.0000234900000000 ] - [ -0.0040924300000000, 0.0034610800000000, 0.0001715600000000 ] - [ 0.0000422700000000, -0.0000281300000000, -0.0001574500000000 ] - [ -0.0000064900000000, -0.0000091500000000, -0.0000487000000000 ] - [ -0.0072228900000000, -0.0070854100000000, -0.0008972600000000 ] - [ -0.0000738400000000, 0.0000251600000000, -0.0001589000000000 ] - [ -0.0000529300000000, 0.0000313400000000, 0.0000717600000000 ] - [ 0.0000951500000000, -0.0000020600000000, 0.0000079400000000 ] - [ -0.0000169900000000, -0.0000040700000000, -0.0000108000000000 ] - [ 0.0006744000000000, 0.0000282700000000, 0.0000742300000000 ] - [ -0.0000900200000000, -0.0000034200000000, 0.0000205100000000 ] - [ 0.0000645100000000, 0.0000295500000000, -0.0001561800000000 ] - [ 0.0000553500000000, -0.0000283300000000, -0.0001441200000000 ] - [ -0.0002642000000000, -0.0000202800000000, -0.0001003100000000 ] - [ -0.0000668400000000, -0.0000317200000000, -0.0001602100000000 ] - [ -0.0000584500000000, 0.0000315200000000, -0.0001501700000000 ] - [ -0.0000260500000000, 0.0000021400000000, 0.0000839900000000 ] - [ 0.0000342200000000, -0.0000217500000000, 0.0003367300000000 ] - [ -0.0000141500000000, 0.0000102100000000, -0.0000613000000000 ] - [ -0.0001950800000000, 0.0000025000000000, 0.0000105200000000 ] - [ -0.0001339100000000, -0.0000879200000000, 0.0001834600000000 ] - [ 0.0002249300000000, -0.0000155900000000, 0.0001942100000000 ] - [ -0.0085691800000000, -0.0000910100000000, -0.0000633900000000 ] - [ 0.0001948200000000, -0.0000385200000000, 0.0000238400000000 ] - [ 0.0000686200000000, -0.0001015800000000, -0.0000175100000000 ] - [ -0.0002894700000000, 0.0000169200000000, -0.0000049200000000 ] - [ 0.0002401800000000, 0.0000600500000000, 0.0000496000000000 ] - [ 0.0000679200000000, 0.0001949000000000, 0.0000701700000000 ] - [ 0.0003642200000000, -0.0002042900000000, 0.0000633900000000 ] - [ 0.0000060700000000, -0.0001291600000000, 0.0000130800000000 ] - [ 0.0001864300000000, 0.0002198800000000, 0.0001300100000000 ] - [ -0.0002549800000000, -0.0000294200000000, -0.0001300000000000 ] - [ -0.0000725000000000, -0.0000195400000000, 0.0000137600000000 ] - [ 0.0000592500000000, 0.0000515900000000, -0.0000079700000000 ] - [ 0.0000477400000000, -0.0000437200000000, 0.0000109600000000 ] - [ -0.0000718500000000, 0.0000421600000000, 0.0000256400000000 ] - [ -0.0002443400000000, 0.0002269200000000, -0.0007194900000000 ] - [ 0.0000668700000000, 0.0000321600000000, 0.0001196800000000 ] - [ 0.0000124600000000, -0.0000954300000000, 0.0002282700000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000743900000000, -0.0000060500000000, -0.0000265500000000 ] - [ -0.0000561300000000, 0.0000619400000000, -0.0000070700000000 ] - [ -0.0000785700000000, -0.0000626100000000, 0.0000291800000000 ] - [ 0.0001961900000000, -0.0000025100000000, 0.0000000700000000 ] - [ 0.0000245100000000, 0.0000356700000000, -0.0000573400000000 ] - [ -0.0000195200000000, 0.0000148000000000, -0.0000235800000000 ] - [ -0.0003938400000000, 0.0006616100000000, -0.0018004500000000 ] - [ 0.0002162900000000, 0.0000593900000000, -0.0001942000000000 ] - [ 0.0001562400000000, 0.0000850600000000, -0.0002247800000000 ] - [ -0.0047837900000000, -0.0480561800000000, 0.0094460500000000 ] - [ -0.0000520600000000, 0.0003712400000000, 0.0000100900000000 ] - [ 0.0001441900000000, 0.0054061400000000, 0.0004627800000000 ] - [ -0.0010981200000000, 0.0114003800000000, -0.0047127900000000 ] - [ 0.0003423800000000, 0.0008377300000000, -0.0025923900000000 ] - [ -0.0000325600000000, -0.0000072000000000, 0.0000011700000000 ] - [ 0.0000140800000000, 0.0001008200000000, -0.0002026600000000 ] - [ 0.0002114800000000, -0.0000404300000000, 0.0003868000000000 ] - [ -0.0000578200000000, 0.0001461500000000, 0.0000252400000000 ] - [ -0.0001735400000000, -0.0000307600000000, -0.0000117300000000 ] - [ -0.0000185400000000, 0.0002556300000000, 0.0003105000000000 ] - [ 0.0001224000000000, 0.0000533700000000, -0.0000901300000000 ] - [ 0.0000753100000000, -0.0004265500000000, -0.0002874100000000 ] - [ -0.0001158900000000, 0.0000782900000000, 0.0000734300000000 ] - [ 0.0000911800000000, 0.0000273700000000, 0.0000799400000000 ] - [ 0.0001003900000000, -0.0000059400000000, 0.0000800700000000 ] - [ 0.0000072400000000, 0.0000008400000000, -0.0000118000000000 ] - [ -0.0001150800000000, 0.0000982400000000, 0.0002225500000000 ] - [ 0.0000668300000000, -0.0000592900000000, 0.0000297600000000 ] - [ -0.0000825300000000, -0.0000037900000000, -0.0000004000000000 ] - [ -0.0001321300000000, 0.0000199800000000, -0.0001780700000000 ] - [ -0.0001346000000000, -0.0000124600000000, -0.0001530500000000 ] - [ 0.0000495300000000, -0.0000034900000000, 0.0001045600000000 ] - [ -0.0005019400000000, 0.0001397600000000, -0.0002658700000000 ] - [ -0.0000891400000000, 0.0000033500000000, 0.0000193500000000 ] - [ -0.0000834500000000, -0.0000494700000000, 0.0000187800000000 ] - [ 0.0008331700000000, 0.0003024500000000, -0.0007571300000000 ] - [ -0.0000784700000000, 0.0000091000000000, 0.0000938800000000 ] - [ 0.0000217800000000, 0.0000139200000000, -0.0000498600000000 ] - [ -0.0000343700000000, -0.0000292200000000, -0.0000491100000000 ] - [ 0.0000846200000000, 0.0000367500000000, -0.0001656600000000 ] - [ 0.0000887800000000, -0.0000495400000000, -0.0001847800000000 ] - [ 0.0000765800000000, -0.0000016400000000, -0.0000379100000000 ] - [ -0.0000743400000000, -0.0000074100000000, -0.0000579200000000 ] - [ 0.0000766600000000, 0.0000014100000000, -0.0000476700000000 ] - [ -0.0000759500000000, 0.0000145800000000, -0.0000318600000000 ] - [ 0.0000390800000000, 0.0000053600000000, -0.0000463400000000 ] - [ -0.0000155600000000, -0.0000143300000000, -0.0000433400000000 ] - [ 0.0000992700000000, 0.0000138000000000, 0.0000110900000000 ] - [ -0.0000409800000000, -0.0000944100000000, 0.0000808100000000 ] - [ -0.0000221700000000, 0.0000993700000000, 0.0000673800000000 ] - [ -0.0001562300000000, -0.0000440200000000, 0.0000757300000000 ] - [ -0.0001096600000000, 0.0000187700000000, 0.0001090900000000 ] - [ 0.0001084400000000, 0.0000037300000000, 0.0000937800000000 ] - [ 0.0001100300000000, -0.0000050800000000, 0.0000895200000000 ] - [ -0.0001135000000000, -0.0000135300000000, 0.0001050900000000 ] - [ 0.0001758400000000, 0.0000502900000000, 0.0002053400000000 ] - [ 0.0001239200000000, 0.0000010100000000, 0.0001546500000000 ] - [ 0.0001123100000000, 0.0000002200000000, -0.0000183400000000 ] - [ 0.0000359700000000, 0.0001163200000000, 0.0000789700000000 ] - [ 0.0000258900000000, -0.0000975100000000, 0.0000698600000000 ] - [ 0.0020603200000000, 0.0020843700000000, 0.0046518500000000 ] - [ 0.0002648300000000, -0.0011414500000000, -0.0007673300000000 ] - [ -0.0002464700000000, -0.0000640400000000, -0.0000811500000000 ] - [ -0.0007685300000000, 0.0008217300000000, 0.0024165400000000 ] - [ 0.0000219100000000, 0.0000012200000000, 0.0000952100000000 ] - [ -0.0000746800000000, -0.0000183200000000, 0.0000232100000000 ] - [ -0.0045087600000000, 0.0050951100000000, 0.0005623400000000 ] - [ -0.0000837500000000, -0.0002341000000000, -0.0001290100000000 ] - [ 0.0000036300000000, -0.0000214600000000, -0.0000615300000000 ] - [ 0.0083329400000000, 0.0087498000000000, 0.0010895500000000 ] - [ 0.0000818200000000, -0.0001737300000000, -0.0001361100000000 ] - [ -0.0000178700000000, -0.0001149700000000, 0.0001543300000000 ] - [ 0.0000816300000000, -0.0000077400000000, -0.0000246300000000 ] - [ 0.0000010200000000, -0.0000707200000000, 0.0000294500000000 ] - [ -0.0000555300000000, -0.0000906700000000, 0.0000972400000000 ] - [ -0.0000833300000000, 0.0000162600000000, 0.0000366400000000 ] - [ 0.0000502300000000, 0.0000224500000000, -0.0001411100000000 ] - [ 0.0000577100000000, -0.0000259800000000, -0.0001408700000000 ] - [ -0.0000077600000000, 0.0001759100000000, -0.0000164900000000 ] - [ -0.0000486500000000, -0.0000369400000000, -0.0001439200000000 ] - [ -0.0000558700000000, 0.0000346400000000, -0.0001433700000000 ] - [ -0.0000278100000000, -0.0000004900000000, 0.0000979300000000 ] - [ 0.0002207300000000, 0.0001324500000000, -0.0003921900000000 ] - [ -0.0000019100000000, -0.0000393900000000, -0.0000115600000000 ] - [ -0.0001089100000000, 0.0000207800000000, 0.0001477000000000 ] - [ -0.0001420000000000, 0.0000947900000000, 0.0000325600000000 ] - [ -0.0001324900000000, -0.0001253700000000, 0.0002579700000000 ] - [ 0.0000203200000000, 0.0100811800000000, -0.0073384200000000 ] - [ -0.0000853700000000, 0.0035406400000000, -0.0001273300000000 ] - [ 0.0001022000000000, 0.0000527500000000, 0.0000732900000000 ] - [ -0.0000315400000000, -0.0004614100000000, -0.0007187100000000 ] - [ 0.0001360100000000, -0.0000055100000000, 0.0000412100000000 ] - [ 0.0001077200000000, -0.0000123800000000, 0.0001108200000000 ] - [ 0.0000786600000000, -0.0001167000000000, -0.0001642900000000 ] - [ -0.0001897000000000, -0.0001712700000000, 0.0000425400000000 ] - [ -0.0001993300000000, 0.0003486300000000, 0.0003644300000000 ] - [ 0.0002069200000000, 0.0001100300000000, 0.0004018100000000 ] - [ -0.0000435000000000, -0.0000872800000000, 0.0000219100000000 ] - [ 0.0000598900000000, 0.0000469200000000, 0.0000363600000000 ] - [ 0.0000692900000000, -0.0000258400000000, 0.0000010600000000 ] - [ -0.0000614100000000, 0.0000351600000000, 0.0000104100000000 ] - [ -0.0003290200000000, 0.0002667600000000, -0.0005406200000000 ] - [ 0.0001663600000000, -0.0000162800000000, 0.0000991400000000 ] - [ 0.0001643300000000, -0.0000909800000000, -0.0000221800000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000446900000000, 0.0000138400000000, -0.0000026200000000 ] - [ -0.0001340000000000, -0.0000201100000000, 0.0001393800000000 ] - [ -0.0001081100000000, 0.0000252600000000, 0.0001011700000000 ] - [ 0.0002154300000000, 0.0000124100000000, 0.0000010300000000 ] - [ -0.0001187500000000, -0.0000346900000000, 0.0002646100000000 ] - [ 0.0001222600000000, 0.0000088900000000, -0.0000931300000000 ] - [ 0.0004494400000000, -0.0006810300000000, 0.0016870000000000 ] - [ 0.0000228600000000, -0.0000053700000000, -0.0001035600000000 ] - [ 0.0000911000000000, -0.0001321500000000, -0.0000838200000000 ] - [ 0.0048439600000000, 0.0476011700000000, -0.0096255300000000 ] - [ -0.0000949200000000, -0.0003952500000000, -0.0001664000000000 ] - [ 0.0000026100000000, -0.0055677200000000, -0.0006239400000000 ] - [ 0.0009268600000000, -0.0110483300000000, 0.0045443900000000 ] - [ -0.0004025000000000, -0.0008019000000000, 0.0024652000000000 ] - [ -0.0000712500000000, -0.0000212400000000, -0.0001195900000000 ] - [ 0.0001523300000000, -0.0000985700000000, 0.0001905300000000 ] - [ -0.0002741100000000, -0.0001407200000000, -0.0002802400000000 ] - [ -0.0000002900000000, 0.0000291300000000, 0.0001052700000000 ] - [ -0.0002594900000000, 0.0000355500000000, -0.0000087300000000 ] - [ -0.0001947800000000, -0.0002384600000000, -0.0001875400000000 ] - [ 0.0000901700000000, -0.0000299500000000, 0.0002186600000000 ] - [ 0.0001362000000000, 0.0004259000000000, 0.0004085200000000 ] - [ -0.0000974400000000, -0.0001088800000000, 0.0000554600000000 ] - [ 0.0001012300000000, 0.0000118900000000, 0.0000563200000000 ] - [ 0.0000903100000000, -0.0000183600000000, 0.0000682800000000 ] - [ 0.0001303400000000, 0.0000016500000000, -0.0000448100000000 ] - [ 0.0001753300000000, 0.0000885500000000, -0.0001162700000000 ] - [ -0.0000109500000000, -0.0001279700000000, 0.0000990000000000 ] - [ -0.0000908000000000, 0.0000245700000000, 0.0000142500000000 ] - [ -0.0001002100000000, 0.0000287000000000, -0.0001242700000000 ] - [ -0.0001126100000000, -0.0000231500000000, -0.0001692700000000 ] - [ 0.0000550700000000, 0.0000230900000000, 0.0001142800000000 ] - [ 0.0003789800000000, -0.0001405300000000, 0.0002160800000000 ] - [ -0.0001190400000000, -0.0000057400000000, 0.0001518500000000 ] - [ -0.0001261800000000, 0.0000388300000000, 0.0001363300000000 ] - [ -0.0003971600000000, -0.0003009500000000, 0.0007235600000000 ] - [ -0.0000286600000000, -0.0000209400000000, 0.0001453500000000 ] - [ 0.0000110900000000, 0.0000116200000000, -0.0000486600000000 ] - [ 0.0000138400000000, -0.0000078000000000, -0.0000400700000000 ] - [ 0.0001706500000000, 0.0000254100000000, -0.0001416600000000 ] - [ 0.0001511600000000, -0.0000205600000000, -0.0001215400000000 ] - [ 0.0000784900000000, 0.0000118100000000, -0.0000585100000000 ] - [ -0.0000719500000000, -0.0000284900000000, -0.0000410600000000 ] - [ 0.0000716700000000, 0.0000357600000000, -0.0000404500000000 ] - [ -0.0000789400000000, -0.0000187400000000, -0.0000579000000000 ] - [ -0.0000197300000000, 0.0000211300000000, -0.0000454000000000 ] - [ -0.0000151500000000, -0.0000245900000000, -0.0000547500000000 ] - [ 0.0000743700000000, -0.0000226000000000, 0.0000103100000000 ] - [ -0.0000178400000000, -0.0000905100000000, 0.0000503200000000 ] - [ -0.0000248400000000, 0.0000842400000000, 0.0000929900000000 ] - [ -0.0002564500000000, 0.0000377200000000, -0.0000792600000000 ] - [ -0.0001040600000000, -0.0000098800000000, 0.0000492500000000 ] - [ 0.0001056900000000, 0.0000343100000000, 0.0000901400000000 ] - [ 0.0001044000000000, -0.0000021500000000, 0.0000728500000000 ] - [ -0.0000982000000000, -0.0000234500000000, 0.0000675300000000 ] - [ 0.0000185800000000, -0.0000225500000000, -0.0000717100000000 ] - [ 0.0000698200000000, -0.0000294000000000, -0.0000143500000000 ] - [ 0.0000016000000000, -0.0000080300000000, -0.0000074700000000 ] - [ 0.0000258100000000, 0.0000612000000000, 0.0000516600000000 ] - [ 0.0000221700000000, -0.0000781500000000, 0.0000895700000000 ] - [ -0.0022535800000000, -0.0021088700000000, -0.0047241400000000 ] - [ -0.0005103100000000, 0.0011870500000000, 0.0004783600000000 ] - [ -0.0000047600000000, 0.0000079600000000, -0.0002199700000000 ] - [ 0.0008737000000000, -0.0008289100000000, -0.0022388000000000 ] - [ 0.0000259800000000, 0.0000022800000000, 0.0000899200000000 ] - [ -0.0000971400000000, 0.0000175700000000, -0.0000239600000000 ] - [ 0.0044341800000000, -0.0049218100000000, -0.0008415000000000 ] - [ 0.0002138000000000, 0.0001719600000000, -0.0001782400000000 ] - [ -0.0000018500000000, 0.0000204200000000, -0.0000500400000000 ] - [ -0.0081196100000000, -0.0086017400000000, -0.0013484400000000 ] - [ -0.0002104800000000, 0.0002357300000000, -0.0001711400000000 ] - [ -0.0000322000000000, 0.0001130300000000, 0.0000252300000000 ] - [ 0.0000865700000000, 0.0000093600000000, 0.0000161300000000 ] - [ -0.0000010000000000, 0.0000719900000000, -0.0001359500000000 ] - [ 0.0001050100000000, 0.0000919900000000, 0.0000801300000000 ] - [ -0.0000815100000000, -0.0000108500000000, -0.0000407000000000 ] - [ 0.0000579800000000, 0.0000351600000000, -0.0001445100000000 ] - [ 0.0000553000000000, -0.0000373300000000, -0.0001558200000000 ] - [ 0.0000120800000000, -0.0001773400000000, -0.0000921600000000 ] - [ -0.0000583800000000, -0.0000256000000000, -0.0001477800000000 ] - [ -0.0000552700000000, 0.0000237000000000, -0.0001549900000000 ] - [ -0.0000210100000000, -0.0000024400000000, 0.0000873100000000 ] - [ -0.0000452700000000, -0.0001329200000000, 0.0003977400000000 ] - [ 0.0000062900000000, 0.0000335800000000, -0.0001041300000000 ] - [ -0.0001119400000000, -0.0002439700000000, 0.0000259600000000 ] - [ -0.0000745200000000, 0.0001136000000000, 0.0001504400000000 ] - [ -0.0000365400000000, 0.0001271500000000, -0.0000725400000000 ] - [ -0.0001307900000000, -0.0102074100000000, 0.0074947400000000 ] - [ 0.0001989200000000, -0.0034129700000000, 0.0000838200000000 ] - [ 0.0000157700000000, -0.0001093700000000, -0.0000599600000000 ] - [ -0.0000866600000000, 0.0005193500000000, 0.0007445200000000 ] - [ 0.0000120300000000, 0.0000223100000000, 0.0001562100000000 ] - [ 0.0001163200000000, 0.0002240400000000, 0.0000820700000000 ] - [ 0.0001486100000000, -0.0000895800000000, 0.0003422400000000 ] - [ -0.0000246100000000, -0.0000601900000000, 0.0001412200000000 ] - [ -0.0000201500000000, -0.0001062000000000, -0.0001969500000000 ] - [ -0.0004009000000000, -0.0001171400000000, -0.0002243500000000 ] - [ -0.0000635900000000, -0.0000501700000000, 0.0000062500000000 ] - [ 0.0000541200000000, 0.0000579200000000, 0.0000180300000000 ] - [ 0.0000548400000000, -0.0000440100000000, 0.0000044000000000 ] - [ -0.0000694900000000, 0.0000279300000000, -0.0000003000000000 ] - [ 0.0005137000000000, -0.0002723100000000, 0.0007183700000000 ] - [ 0.0000484000000000, 0.0002419600000000, 0.0000746700000000 ] - [ 0.0000472500000000, -0.0001386700000000, 0.0002000200000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000664800000000, 0.0000071700000000, -0.0000321500000000 ] - [ -0.0000161000000000, 0.0001017100000000, 0.0000498400000000 ] - [ -0.0000757300000000, -0.0000099800000000, 0.0000231900000000 ] - [ 0.0002092300000000, 0.0000072900000000, -0.0000113800000000 ] - [ -0.0001795200000000, 0.0001630300000000, -0.0000796700000000 ] - [ -0.0000687900000000, -0.0000719900000000, -0.0000398300000000 ] - [ 0.0024787500000000, -0.0007437400000000, 0.0021332000000000 ] - [ 0.0000217700000000, -0.0000258700000000, -0.0001611900000000 ] - [ 0.0002666900000000, 0.0001976400000000, -0.0003854800000000 ] - [ -0.0028722500000000, 0.0093331400000000, -0.0705098600000000 ] - [ -0.0000830600000000, 0.0000590500000000, -0.0004911600000000 ] - [ 0.0001578100000000, -0.0004965700000000, -0.0013666800000000 ] - [ -0.0003233300000000, 0.0045565200000000, -0.0018986900000000 ] - [ -0.0030867000000000, -0.0015498400000000, 0.0020610100000000 ] - [ 0.0000325200000000, -0.0000016100000000, -0.0001103800000000 ] - [ 0.0001252700000000, 0.0000826700000000, -0.0001488700000000 ] - [ 0.0019929600000000, 0.0015175900000000, 0.0016250400000000 ] - [ 0.0000092600000000, -0.0001086600000000, 0.0001075000000000 ] - [ -0.0001128900000000, -0.0000350900000000, 0.0000251200000000 ] - [ -0.0000781100000000, 0.0005405100000000, 0.0002586800000000 ] - [ 0.0000918300000000, -0.0002055700000000, 0.0002045900000000 ] - [ 0.0001049200000000, -0.0003295500000000, 0.0008183200000000 ] - [ -0.0000967500000000, -0.0000062500000000, 0.0001749900000000 ] - [ -0.0000049600000000, 0.0001998700000000, 0.0001790200000000 ] - [ 0.0000873900000000, 0.0000689100000000, 0.0001913200000000 ] - [ -0.0002706100000000, 0.0000799400000000, 0.0001267000000000 ] - [ -0.0016814000000000, 0.0008075600000000, 0.0011263000000000 ] - [ -0.0000630500000000, -0.0001357000000000, 0.0000926100000000 ] - [ -0.0000870500000000, 0.0000264600000000, 0.0000432300000000 ] - [ -0.0000938300000000, 0.0000192100000000, -0.0001151900000000 ] - [ -0.0000454200000000, 0.0001518900000000, 0.0000818800000000 ] - [ 0.0000539500000000, 0.0000291100000000, 0.0001606500000000 ] - [ 0.0015191100000000, -0.0004765700000000, 0.0007176800000000 ] - [ -0.0001131800000000, -0.0001359600000000, 0.0003552400000000 ] - [ -0.0000731900000000, -0.0000000600000000, 0.0003584700000000 ] - [ -0.0013196900000000, -0.0005626600000000, 0.0012550500000000 ] - [ -0.0000129200000000, -0.0000157900000000, 0.0002250400000000 ] - [ 0.0000524900000000, 0.0000092700000000, -0.0000412400000000 ] - [ 0.0000395100000000, -0.0000049400000000, -0.0000451000000000 ] - [ 0.0001082200000000, -0.0001171800000000, 0.0002142200000000 ] - [ 0.0001731800000000, -0.0000403100000000, -0.0000841500000000 ] - [ 0.0000729300000000, -0.0000018700000000, -0.0000252400000000 ] - [ -0.0000630300000000, -0.0000293900000000, -0.0000052800000000 ] - [ 0.0000739300000000, 0.0000300600000000, -0.0000237100000000 ] - [ -0.0000644400000000, 0.0000000900000000, -0.0000122100000000 ] - [ -0.0000463800000000, 0.0000028700000000, -0.0000516200000000 ] - [ -0.0000663700000000, -0.0000066000000000, -0.0000511000000000 ] - [ 0.0000663900000000, -0.0000254900000000, 0.0000510300000000 ] - [ -0.0000030400000000, -0.0000728200000000, 0.0000679900000000 ] - [ -0.0000668800000000, 0.0000627800000000, 0.0001161700000000 ] - [ -0.0002385600000000, -0.0000589500000000, -0.0000370600000000 ] - [ -0.0000897800000000, 0.0000149300000000, 0.0001345200000000 ] - [ 0.0001059100000000, 0.0000181500000000, 0.0001309400000000 ] - [ 0.0001043100000000, -0.0000013500000000, 0.0000920000000000 ] - [ -0.0001182500000000, -0.0000112600000000, 0.0001584800000000 ] - [ 0.0000808400000000, 0.0000139800000000, 0.0000660900000000 ] - [ 0.0001093100000000, -0.0000905700000000, 0.0000401000000000 ] - [ 0.0001307500000000, 0.0000028400000000, -0.0000428500000000 ] - [ 0.0000063800000000, 0.0001019900000000, 0.0000708500000000 ] - [ 0.0000659600000000, -0.0001070800000000, 0.0000916100000000 ] - [ 0.0031227700000000, 0.0028344900000000, 0.0040411200000000 ] - [ -0.0007623700000000, 0.0010863800000000, 0.0034978400000000 ] - [ 0.0000996700000000, 0.0000435600000000, -0.0002326400000000 ] - [ -0.0016405000000000, 0.0016444400000000, 0.0018208700000000 ] - [ 0.0000217700000000, -0.0000010900000000, 0.0000413700000000 ] - [ -0.0000688600000000, -0.0000224800000000, 0.0000622300000000 ] - [ 0.0025558300000000, -0.0024375300000000, 0.0009714600000000 ] - [ 0.0001386500000000, 0.0001745400000000, -0.0000982600000000 ] - [ -0.0000012000000000, -0.0000019700000000, -0.0000625200000000 ] - [ -0.0017249600000000, -0.0019582900000000, 0.0008755500000000 ] - [ -0.0001393400000000, 0.0002332500000000, -0.0000946700000000 ] - [ -0.0000205200000000, -0.0002041500000000, 0.0003536700000000 ] - [ 0.0000753200000000, -0.0000840700000000, -0.0000604900000000 ] - [ -0.0000329700000000, 0.0001797600000000, -0.0001102100000000 ] - [ 0.0000467000000000, 0.0005951800000000, 0.0008937200000000 ] - [ -0.0000735100000000, 0.0000801200000000, -0.0002556800000000 ] - [ 0.0000760800000000, 0.0000220800000000, -0.0001774300000000 ] - [ 0.0000670400000000, -0.0000237000000000, -0.0001900100000000 ] - [ 0.0000747100000000, -0.0006801900000000, -0.0018554100000000 ] - [ -0.0000782500000000, -0.0000407600000000, -0.0001818900000000 ] - [ -0.0000697500000000, 0.0000360200000000, -0.0001994700000000 ] - [ -0.0000164300000000, 0.0000049600000000, 0.0000103200000000 ] - [ 0.0000882100000000, -0.0000034200000000, 0.0000754600000000 ] - [ 0.0000181500000000, 0.0000755000000000, -0.0001846400000000 ] - [ -0.0001224800000000, -0.0000465200000000, 0.0000249700000000 ] - [ -0.0001231500000000, -0.0000660400000000, 0.0001491500000000 ] - [ -0.0001323900000000, 0.0001096200000000, 0.0002976800000000 ] - [ 0.0014864800000000, -0.0101503200000000, 0.0516496300000000 ] - [ 0.0004770000000000, -0.0037725900000000, 0.0021301400000000 ] - [ -0.0001147400000000, -0.0001964500000000, 0.0002290300000000 ] - [ -0.0001633900000000, 0.0003412200000000, 0.0011191200000000 ] - [ 0.0006744200000000, -0.0001168900000000, -0.0004255200000000 ] - [ -0.0001252900000000, 0.0004503700000000, 0.0000624900000000 ] - [ -0.0000717000000000, -0.0021978400000000, 0.0001067100000000 ] - [ 0.0003654300000000, 0.0001548500000000, 0.0005523100000000 ] - [ 0.0004015400000000, 0.0013074100000000, -0.0012777800000000 ] - [ -0.0014436300000000, -0.0000598900000000, -0.0014175600000000 ] - [ -0.0000335000000000, -0.0000744400000000, -0.0000287800000000 ] - [ -0.0000046100000000, 0.0000859300000000, -0.0000361400000000 ] - [ -0.0000130900000000, -0.0000941100000000, -0.0002005300000000 ] - [ -0.0000243300000000, 0.0000598000000000, -0.0001398000000000 ] - [ 0.0001054100000000, -0.0003269100000000, 0.0004159500000000 ] - [ 0.0003340000000000, 0.0002288800000000, -0.0002132300000000 ] - [ 0.0000119100000000, 0.0000843300000000, 0.0002033100000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000405800000000, -0.0000043800000000, -0.0000352600000000 ] - [ -0.0001782000000000, -0.0000571100000000, 0.0000708600000000 ] - [ -0.0001148600000000, -0.0000430900000000, 0.0000874500000000 ] - [ 0.0002055800000000, -0.0000042400000000, -0.0000098500000000 ] - [ 0.0000849500000000, -0.0001771400000000, 0.0002986200000000 ] - [ 0.0000890900000000, 0.0001057100000000, -0.0000657900000000 ] - [ -0.0025150300000000, 0.0007142800000000, -0.0022363900000000 ] - [ 0.0002121800000000, 0.0000568300000000, -0.0001628000000000 ] - [ -0.0000262300000000, -0.0002373100000000, 0.0000592400000000 ] - [ 0.0031110100000000, -0.0097761900000000, 0.0735209300000000 ] - [ -0.0000688500000000, -0.0000970000000000, 0.0003929300000000 ] - [ -0.0000072300000000, 0.0005670500000000, 0.0012720700000000 ] - [ 0.0001722800000000, -0.0046765200000000, 0.0017946100000000 ] - [ 0.0031342200000000, 0.0015940000000000, -0.0021590300000000 ] - [ -0.0000525400000000, -0.0000249700000000, 0.0000077400000000 ] - [ 0.0000422400000000, -0.0000978900000000, 0.0001517900000000 ] - [ -0.0020232000000000, -0.0016753300000000, -0.0014845900000000 ] - [ -0.0000617000000000, 0.0002805200000000, 0.0000396100000000 ] - [ -0.0003210000000000, 0.0000343000000000, -0.0000303700000000 ] - [ -0.0001333900000000, -0.0005387600000000, -0.0001052800000000 ] - [ 0.0001163500000000, 0.0002454500000000, -0.0000436800000000 ] - [ 0.0001045500000000, 0.0003236600000000, -0.0006892700000000 ] - [ -0.0001139400000000, -0.0000303500000000, 0.0000061900000000 ] - [ 0.0001977900000000, -0.0001521700000000, -0.0000433100000000 ] - [ 0.0001070200000000, -0.0001201600000000, -0.0000591300000000 ] - [ 0.0003874400000000, -0.0000808200000000, -0.0001612500000000 ] - [ 0.0017176200000000, -0.0006095700000000, -0.0009947000000000 ] - [ 0.0001132900000000, -0.0000531300000000, 0.0000550400000000 ] - [ -0.0000743000000000, -0.0000182200000000, -0.0000396300000000 ] - [ -0.0001509600000000, 0.0000179100000000, -0.0001773400000000 ] - [ -0.0001904200000000, -0.0001892100000000, -0.0003791800000000 ] - [ 0.0000366300000000, -0.0000219600000000, 0.0000612500000000 ] - [ -0.0016250500000000, 0.0004733200000000, -0.0007460500000000 ] - [ -0.0000928000000000, 0.0001684400000000, -0.0002050200000000 ] - [ -0.0001310800000000, -0.0000272500000000, -0.0002130100000000 ] - [ 0.0017314900000000, 0.0005489700000000, -0.0012474400000000 ] - [ -0.0000723500000000, 0.0000135400000000, 0.0000024000000000 ] - [ -0.0000292700000000, 0.0000213900000000, -0.0000635400000000 ] - [ 0.0000216800000000, -0.0000308800000000, -0.0000516000000000 ] - [ 0.0001368300000000, 0.0001664700000000, -0.0005020700000000 ] - [ 0.0000817100000000, -0.0000039100000000, -0.0002085800000000 ] - [ 0.0000796400000000, -0.0000048200000000, -0.0001094200000000 ] - [ -0.0000842400000000, 0.0000112900000000, -0.0001348900000000 ] - [ 0.0000755000000000, -0.0000086800000000, -0.0001144800000000 ] - [ -0.0000865200000000, 0.0000053000000000, -0.0001164100000000 ] - [ -0.0000182000000000, 0.0000247400000000, -0.0000445000000000 ] - [ 0.0000390400000000, -0.0000279400000000, -0.0000540100000000 ] - [ 0.0000875800000000, 0.0000247300000000, -0.0000473800000000 ] - [ -0.0000500600000000, -0.0001096700000000, 0.0000268900000000 ] - [ 0.0000129500000000, 0.0001264500000000, -0.0000002200000000 ] - [ -0.0001879100000000, 0.0000532200000000, 0.0000108200000000 ] - [ -0.0001242100000000, -0.0000013000000000, 0.0000019200000000 ] - [ 0.0001060500000000, 0.0000148900000000, 0.0000130500000000 ] - [ 0.0001072200000000, -0.0000203500000000, 0.0000477000000000 ] - [ -0.0000949100000000, -0.0000109900000000, -0.0000228600000000 ] - [ 0.0001157600000000, 0.0000328000000000, 0.0000559900000000 ] - [ 0.0000923900000000, 0.0000594100000000, 0.0000984500000000 ] - [ -0.0000135400000000, -0.0000059100000000, -0.0000133400000000 ] - [ 0.0000447600000000, 0.0000752700000000, 0.0000250600000000 ] - [ -0.0000140300000000, -0.0000689400000000, 0.0000265000000000 ] - [ -0.0033589500000000, -0.0028712800000000, -0.0040991300000000 ] - [ 0.0005264800000000, -0.0010606100000000, -0.0038622800000000 ] - [ -0.0003396300000000, -0.0000787100000000, -0.0000882700000000 ] - [ 0.0017765300000000, -0.0016616400000000, -0.0016168000000000 ] - [ 0.0000267000000000, 0.0000016100000000, 0.0001365100000000 ] - [ -0.0000939600000000, 0.0000254400000000, -0.0000786800000000 ] - [ -0.0024695900000000, 0.0025190700000000, -0.0012298600000000 ] - [ -0.0000290700000000, -0.0002371400000000, -0.0001946100000000 ] - [ 0.0000018700000000, -0.0000009600000000, -0.0000523000000000 ] - [ 0.0016187100000000, 0.0019031900000000, -0.0011540800000000 ] - [ 0.0000305500000000, -0.0001743300000000, -0.0001996100000000 ] - [ -0.0000278100000000, 0.0002077800000000, -0.0001745700000000 ] - [ 0.0000946500000000, 0.0000867300000000, 0.0000563800000000 ] - [ 0.0000335600000000, -0.0001816400000000, 0.0000001300000000 ] - [ -0.0000020400000000, -0.0006046600000000, -0.0007168100000000 ] - [ -0.0000979700000000, -0.0000802400000000, 0.0002523400000000 ] - [ 0.0000444600000000, 0.0000402700000000, -0.0001202300000000 ] - [ 0.0000515900000000, -0.0000360100000000, -0.0001121800000000 ] - [ -0.0000725500000000, 0.0006695800000000, 0.0017293500000000 ] - [ -0.0000424900000000, -0.0000212500000000, -0.0001217100000000 ] - [ -0.0000505600000000, 0.0000278100000000, -0.0001034300000000 ] - [ -0.0000339600000000, -0.0000074300000000, 0.0001657100000000 ] - [ 0.0000806300000000, 0.0000078100000000, -0.0000865200000000 ] - [ -0.0000151600000000, -0.0000763100000000, 0.0000770000000000 ] - [ -0.0001014700000000, -0.0001382500000000, 0.0001533300000000 ] - [ -0.0000966500000000, 0.0002560800000000, 0.0000342300000000 ] - [ -0.0000153700000000, -0.0001052100000000, -0.0000990800000000 ] - [ -0.0016583600000000, 0.0105606200000000, -0.0546146300000000 ] - [ -0.0003590900000000, 0.0039490100000000, -0.0021534300000000 ] - [ 0.0002298900000000, 0.0001195800000000, -0.0002042300000000 ] - [ 0.0000564100000000, -0.0002703400000000, -0.0010989800000000 ] - [ -0.0005088600000000, 0.0001234500000000, 0.0006304300000000 ] - [ 0.0003476700000000, -0.0002504200000000, 0.0001389800000000 ] - [ 0.0002975900000000, 0.0019824000000000, 0.0001061000000000 ] - [ -0.0005831300000000, -0.0003674200000000, -0.0003474700000000 ] - [ -0.0006197400000000, -0.0010830400000000, 0.0014867000000000 ] - [ 0.0012658800000000, 0.0000545900000000, 0.0016084000000000 ] - [ -0.0000854100000000, 0.0000099300000000, 0.0000488900000000 ] - [ 0.0001252300000000, -0.0000290900000000, 0.0000576200000000 ] - [ 0.0001304100000000, 0.0000221500000000, 0.0002082200000000 ] - [ -0.0000917300000000, 0.0000094800000000, 0.0001520100000000 ] - [ 0.0000659500000000, 0.0003306400000000, -0.0002305500000000 ] - [ -0.0001235200000000, -0.0000127800000000, 0.0003901000000000 ] - [ 0.0002041000000000, -0.0003122600000000, -0.0000283900000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000529900000000, 0.0000000000000000, -0.0000061900000000 ] - [ 0.0011985000000000, -0.0003834500000000, -0.0019987700000000 ] - [ 0.0011985000000000, 0.0003834500000000, -0.0019987700000000 ] - [ 0.0003193300000000, 0.0000000000000000, -0.0001041000000000 ] - [ 0.0114069400000000, 0.0000000000000000, 0.0001446700000000 ] - [ -0.0001133000000000, -0.0011556900000000, -0.0002126000000000 ] - [ -0.0001133000000000, 0.0011556900000000, -0.0002126000000000 ] - [ 0.0016183400000000, -0.0020584800000000, 0.0029079800000000 ] - [ 0.0016183400000000, 0.0020584800000000, 0.0029079800000000 ] - [ -0.0000308100000000, -0.0000706500000000, -0.0000527600000000 ] - [ 0.0014842800000000, -0.0021666900000000, -0.0033069500000000 ] - [ -0.0000308100000000, 0.0000706500000000, -0.0000527600000000 ] - [ 0.0014842800000000, 0.0021666900000000, -0.0033069500000000 ] - [ -0.0021563700000000, -0.0026024800000000, -0.0001500600000000 ] - [ -0.0021563700000000, 0.0026024800000000, -0.0001500600000000 ] - [ -0.0535166200000000, 0.0000000000000000, -0.0034414700000000 ] - [ -0.0000486200000000, -0.0001104400000000, 0.0001430200000000 ] - [ -0.0000486200000000, 0.0001104400000000, 0.0001430200000000 ] - [ -0.0001049000000000, 0.0000000000000000, -0.0000247900000000 ] - [ 0.0002404100000000, -0.0004778800000000, 0.0014965000000000 ] - [ 0.0001022400000000, 0.0000958800000000, 0.0001354500000000 ] - [ 0.0001022400000000, -0.0000958800000000, 0.0001354500000000 ] - [ 0.0002404100000000, 0.0004778800000000, 0.0014965000000000 ] - [ 0.0001008300000000, -0.0000099300000000, 0.0001707100000000 ] - [ 0.0001008300000000, 0.0000099300000000, 0.0001707100000000 ] - [ -0.0000695600000000, 0.0000000000000000, 0.0000585200000000 ] - [ 0.0000781300000000, 0.0000120900000000, 0.0001457300000000 ] - [ 0.0000781300000000, -0.0000120900000000, 0.0001457300000000 ] - [ -0.0000715600000000, 0.0000000000000000, 0.0000064600000000 ] - [ -0.0001228000000000, 0.0000000000000000, -0.0001418500000000 ] - [ -0.0001228000000000, 0.0000000000000000, -0.0001418500000000 ] - [ 0.0000410800000000, 0.0000000000000000, 0.0001205300000000 ] - [ 0.0000477700000000, 0.0000000000000000, 0.0000408000000000 ] - [ -0.0001920500000000, -0.0001135200000000, 0.0001979600000000 ] - [ -0.0001920500000000, 0.0001135200000000, 0.0001979600000000 ] - [ 0.0002335300000000, 0.0000000000000000, -0.0000764100000000 ] - [ -0.0000339600000000, 0.0000000000000000, 0.0001612600000000 ] - [ 0.0000184200000000, 0.0000076900000000, -0.0000532800000000 ] - [ 0.0000184200000000, -0.0000076900000000, -0.0000532800000000 ] - [ 0.0002200600000000, 0.0000464600000000, -0.0001269900000000 ] - [ 0.0002200600000000, -0.0000464600000000, -0.0001269900000000 ] - [ 0.0000822400000000, -0.0000043300000000, -0.0000642600000000 ] - [ -0.0000747000000000, -0.0000069200000000, -0.0000576700000000 ] - [ 0.0000822400000000, 0.0000043300000000, -0.0000642600000000 ] - [ -0.0000747000000000, 0.0000069200000000, -0.0000576700000000 ] - [ -0.0000231100000000, 0.0000121100000000, -0.0000529100000000 ] - [ -0.0000231100000000, -0.0000121100000000, -0.0000529100000000 ] - [ 0.0000677900000000, 0.0000000000000000, 0.0000051900000000 ] - [ -0.0000519600000000, -0.0000385500000000, 0.0000632600000000 ] - [ -0.0000519600000000, 0.0000385500000000, 0.0000632600000000 ] - [ -0.0001895100000000, 0.0000000000000000, 0.0000223300000000 ] - [ -0.0000961300000000, 0.0000080900000000, 0.0000955100000000 ] - [ 0.0000739300000000, -0.0000165000000000, -0.0000162200000000 ] - [ 0.0000739300000000, 0.0000165000000000, -0.0000162200000000 ] - [ -0.0000961300000000, -0.0000080900000000, 0.0000955100000000 ] - [ -0.0000100800000000, 0.0000235300000000, 0.0000493600000000 ] - [ -0.0000100800000000, -0.0000235300000000, 0.0000493600000000 ] - [ -0.0000139100000000, 0.0000000000000000, -0.0000306500000000 ] - [ 0.0001386800000000, 0.0000904100000000, 0.0001048400000000 ] - [ 0.0001386800000000, -0.0000904100000000, 0.0001048400000000 ] - [ -0.0005594000000000, 0.0000000000000000, -0.0000540100000000 ] - [ -0.0000496300000000, 0.0000086100000000, -0.0001465400000000 ] - [ -0.0000496300000000, -0.0000086100000000, -0.0001465400000000 ] - [ -0.0000207900000000, 0.0000000000000000, 0.0000224000000000 ] - [ 0.0000215400000000, 0.0000000000000000, 0.0001184500000000 ] - [ 0.0008051700000000, 0.0000000000000000, 0.0001934200000000 ] - [ -0.0002262700000000, 0.0001361700000000, -0.0002024100000000 ] - [ -0.0002262700000000, -0.0001361700000000, -0.0002024100000000 ] - [ 0.0001337100000000, 0.0001382900000000, -0.0002163000000000 ] - [ 0.0001389900000000, 0.0002333100000000, -0.0002867800000000 ] - [ 0.0001389900000000, -0.0002333100000000, -0.0002867800000000 ] - [ 0.0073090400000000, 0.0000000000000000, 0.0045221400000000 ] - [ 0.0000756500000000, 0.0000000000000000, -0.0000212300000000 ] - [ 0.0001337100000000, -0.0001382900000000, -0.0002163000000000 ] - [ 0.0000254100000000, 0.0000000000000000, 0.0001347400000000 ] - [ -0.0001068200000000, 0.0000000000000000, 0.0000286800000000 ] - [ 0.0000506800000000, 0.0000060600000000, -0.0001456700000000 ] - [ 0.0000506800000000, -0.0000060600000000, -0.0001456700000000 ] - [ 0.0000180100000000, 0.0000106000000000, -0.0000861800000000 ] - [ -0.0000452000000000, -0.0000520400000000, -0.0001400100000000 ] - [ -0.0000452000000000, 0.0000520400000000, -0.0001400100000000 ] - [ -0.0000224800000000, 0.0000000000000000, 0.0000834200000000 ] - [ 0.0000554000000000, 0.0000000000000000, 0.0000524800000000 ] - [ 0.0000180100000000, -0.0000106000000000, -0.0000861800000000 ] - [ 0.0001187000000000, -0.0001574900000000, 0.0005447300000000 ] - [ 0.0001187000000000, 0.0001574900000000, 0.0005447300000000 ] - [ -0.0007663700000000, 0.0000000000000000, -0.0000174400000000 ] - [ -0.0005322600000000, 0.0017075200000000, 0.0001560700000000 ] - [ 0.0153687600000000, 0.0031379800000000, 0.0008047900000000 ] - [ 0.0153687600000000, -0.0031379800000000, 0.0008047900000000 ] - [ -0.0005322600000000, -0.0017075200000000, 0.0001560700000000 ] - [ 0.0003249600000000, 0.0000000000000000, -0.0001061900000000 ] - [ 0.0000776200000000, 0.0002781900000000, -0.0005665100000000 ] - [ 0.0000776200000000, -0.0002781900000000, -0.0005665100000000 ] - [ 0.0000174300000000, -0.0004741500000000, -0.0000645600000000 ] - [ 0.0000174300000000, 0.0004741500000000, -0.0000645600000000 ] - [ -0.0005051400000000, 0.0000000000000000, -0.0001475300000000 ] - [ -0.0000506600000000, -0.0000346600000000, 0.0000257500000000 ] - [ 0.0000534800000000, 0.0000581300000000, 0.0000269400000000 ] - [ 0.0000534800000000, -0.0000581300000000, 0.0000269400000000 ] - [ -0.0000506600000000, 0.0000346600000000, 0.0000257500000000 ] - [ 0.0000240200000000, 0.0000000000000000, -0.0000573500000000 ] - [ 0.0000757000000000, 0.0000730000000000, 0.0002066500000000 ] - [ 0.0000757000000000, -0.0000730000000000, 0.0002066500000000 ]- atom: 16 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001964000000000, 0.0000000000000000, -0.0000713000000000 ] - [ -0.0013193300000000, 0.0004990300000000, 0.0020353900000000 ] - [ -0.0013193300000000, -0.0004990300000000, 0.0020353900000000 ] - [ 0.0000703300000000, 0.0000000000000000, 0.0001601200000000 ] - [ -0.0117736700000000, 0.0000000000000000, 0.0000061300000000 ] - [ 0.0002002200000000, 0.0011771600000000, 0.0000998900000000 ] - [ 0.0002002200000000, -0.0011771600000000, 0.0000998900000000 ] - [ -0.0014261700000000, 0.0020932100000000, -0.0032617000000000 ] - [ -0.0014261700000000, -0.0020932100000000, -0.0032617000000000 ] - [ 0.0001845200000000, 0.0000559400000000, -0.0000969000000000 ] - [ -0.0016385800000000, 0.0021612000000000, 0.0031942600000000 ] - [ 0.0001845200000000, -0.0000559400000000, -0.0000969000000000 ] - [ -0.0016385800000000, -0.0021612000000000, 0.0031942600000000 ] - [ 0.0021050100000000, 0.0026517200000000, 0.0000395200000000 ] - [ 0.0021050100000000, -0.0026517200000000, 0.0000395200000000 ] - [ 0.0543186600000000, 0.0000000000000000, 0.0031426300000000 ] - [ -0.0000250600000000, -0.0000666700000000, -0.0000159000000000 ] - [ -0.0000250600000000, 0.0000666700000000, -0.0000159000000000 ] - [ -0.0003354500000000, 0.0000000000000000, 0.0000050800000000 ] - [ -0.0004496500000000, 0.0004991000000000, -0.0013605200000000 ] - [ 0.0001067500000000, -0.0000722000000000, -0.0000243400000000 ] - [ 0.0001067500000000, 0.0000722000000000, -0.0000243400000000 ] - [ -0.0004496500000000, -0.0004991000000000, -0.0013605200000000 ] - [ 0.0001133400000000, 0.0000251600000000, 0.0000000100000000 ] - [ 0.0001133400000000, -0.0000251600000000, 0.0000000100000000 ] - [ 0.0002326800000000, 0.0000000000000000, -0.0001046500000000 ] - [ -0.0000224100000000, 0.0001652500000000, -0.0000298800000000 ] - [ -0.0000224100000000, -0.0001652500000000, -0.0000298800000000 ] - [ -0.0000961800000000, 0.0000000000000000, 0.0000090800000000 ] - [ -0.0001290600000000, 0.0000522800000000, -0.0001498300000000 ] - [ -0.0001290600000000, -0.0000522800000000, -0.0001498300000000 ] - [ 0.0000571200000000, 0.0000000000000000, 0.0001149400000000 ] - [ -0.0001293800000000, 0.0000000000000000, -0.0000271800000000 ] - [ -0.0001039000000000, 0.0000119600000000, 0.0000530400000000 ] - [ -0.0001039000000000, -0.0000119600000000, 0.0000530400000000 ] - [ 0.0002464000000000, 0.0000000000000000, -0.0000273400000000 ] - [ -0.0000456500000000, 0.0000000000000000, 0.0001109900000000 ] - [ 0.0000542100000000, 0.0000164400000000, -0.0000437400000000 ] - [ 0.0000542100000000, -0.0000164400000000, -0.0000437400000000 ] - [ 0.0001202400000000, 0.0000489700000000, -0.0001489600000000 ] - [ 0.0001202400000000, -0.0000489700000000, -0.0001489600000000 ] - [ 0.0000685200000000, -0.0000151400000000, -0.0000445600000000 ] - [ -0.0000725900000000, -0.0000013600000000, -0.0000655400000000 ] - [ 0.0000685200000000, 0.0000151400000000, -0.0000445600000000 ] - [ -0.0000725900000000, 0.0000013600000000, -0.0000655400000000 ] - [ -0.0000572800000000, 0.0000298600000000, -0.0000453400000000 ] - [ -0.0000572800000000, -0.0000298600000000, -0.0000453400000000 ] - [ 0.0000786300000000, 0.0000000000000000, 0.0000042100000000 ] - [ -0.0000062000000000, -0.0001715700000000, 0.0000622100000000 ] - [ -0.0000062000000000, 0.0001715700000000, 0.0000622100000000 ] - [ -0.0002352800000000, 0.0000000000000000, -0.0000107900000000 ] - [ -0.0001168500000000, 0.0000041800000000, 0.0000582900000000 ] - [ 0.0001410200000000, 0.0000475700000000, 0.0001853000000000 ] - [ 0.0001410200000000, -0.0000475700000000, 0.0001853000000000 ] - [ -0.0001168500000000, -0.0000041800000000, 0.0000582900000000 ] - [ 0.0001773800000000, 0.0000507900000000, 0.0000499800000000 ] - [ 0.0001773800000000, -0.0000507900000000, 0.0000499800000000 ] - [ 0.0001788100000000, 0.0000000000000000, -0.0000636700000000 ] - [ -0.0000776100000000, 0.0000867100000000, 0.0000227700000000 ] - [ -0.0000776100000000, -0.0000867100000000, 0.0000227700000000 ] - [ 0.0004159700000000, 0.0000000000000000, 0.0000574400000000 ] - [ -0.0001690500000000, 0.0000376700000000, -0.0001535700000000 ] - [ -0.0001690500000000, -0.0000376700000000, -0.0001535700000000 ] - [ 0.0001107900000000, 0.0000000000000000, 0.0001692000000000 ] - [ 0.0000301500000000, 0.0000000000000000, 0.0000613700000000 ] - [ -0.0009623600000000, 0.0000000000000000, -0.0001624500000000 ] - [ 0.0003375300000000, -0.0000733900000000, -0.0000928600000000 ] - [ 0.0003375300000000, 0.0000733900000000, -0.0000928600000000 ] - [ -0.0001338900000000, -0.0001409800000000, 0.0001135000000000 ] - [ -0.0002458000000000, -0.0002901300000000, -0.0000125200000000 ] - [ -0.0002458000000000, 0.0002901300000000, -0.0000125200000000 ] - [ -0.0069642300000000, 0.0000000000000000, -0.0040680300000000 ] - [ 0.0000974600000000, 0.0000000000000000, 0.0000203000000000 ] - [ -0.0001338900000000, 0.0001409800000000, 0.0001135000000000 ] - [ 0.0000225800000000, 0.0000000000000000, 0.0000549500000000 ] - [ -0.0000866200000000, 0.0000000000000000, 0.0000123100000000 ] - [ 0.0000735700000000, 0.0000612200000000, -0.0001577700000000 ] - [ 0.0000735700000000, -0.0000612200000000, -0.0001577700000000 ] - [ -0.0000017700000000, 0.0000020800000000, -0.0000253100000000 ] - [ -0.0000764000000000, -0.0000055400000000, -0.0001665100000000 ] - [ -0.0000764000000000, 0.0000055400000000, -0.0001665100000000 ] - [ -0.0000284100000000, 0.0000000000000000, 0.0000954700000000 ] - [ 0.0000997100000000, 0.0000000000000000, -0.0000743100000000 ] - [ -0.0000017700000000, -0.0000020800000000, -0.0000253100000000 ] - [ -0.0003452000000000, 0.0000847800000000, -0.0003099800000000 ] - [ -0.0003452000000000, -0.0000847800000000, -0.0003099800000000 ] - [ 0.0007573600000000, 0.0000000000000000, 0.0002994900000000 ] - [ 0.0004494200000000, -0.0018382700000000, -0.0001634100000000 ] - [ -0.0157003300000000, -0.0034363400000000, -0.0007650500000000 ] - [ -0.0157003300000000, 0.0034363400000000, -0.0007650500000000 ] - [ 0.0004494200000000, 0.0018382700000000, -0.0001634100000000 ] - [ -0.0001769700000000, 0.0000000000000000, 0.0003028600000000 ] - [ 0.0001313100000000, -0.0000544700000000, 0.0007406000000000 ] - [ 0.0001313100000000, 0.0000544700000000, 0.0007406000000000 ] - [ -0.0001675600000000, -0.0000056400000000, 0.0001840200000000 ] - [ -0.0001675600000000, 0.0000056400000000, 0.0001840200000000 ] - [ 0.0000249400000000, 0.0000000000000000, 0.0001906500000000 ] - [ -0.0000642300000000, -0.0000041900000000, 0.0000049400000000 ] - [ 0.0000673700000000, 0.0000151900000000, 0.0000169200000000 ] - [ 0.0000673700000000, -0.0000151900000000, 0.0000169200000000 ] - [ -0.0000642300000000, 0.0000041900000000, 0.0000049400000000 ] - [ -0.0000179500000000, 0.0000000000000000, 0.0003314700000000 ] - [ 0.0001719800000000, 0.0000104100000000, 0.0000040800000000 ] - [ 0.0001719800000000, -0.0000104100000000, 0.0000040800000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000951300000000, -0.0000337300000000, -0.0000496600000000 ] - [ -0.0009954600000000, 0.0003424400000000, 0.0014864400000000 ] - [ 0.0008848600000000, 0.0001918500000000, -0.0014459600000000 ] - [ 0.0001893900000000, -0.0000496100000000, 0.0000367200000000 ] - [ -0.0000379700000000, -0.0012026400000000, 0.0000937500000000 ] - [ -0.0030916200000000, 0.0019016700000000, 0.0000051800000000 ] - [ 0.0030710100000000, 0.0018335200000000, -0.0001132600000000 ] - [ -0.0017990100000000, 0.0012319300000000, -0.0029151300000000 ] - [ 0.0019533300000000, 0.0012267700000000, 0.0025713400000000 ] - [ 0.0000024900000000, 0.0000956600000000, 0.0000469300000000 ] - [ -0.0024413000000000, 0.0020952100000000, 0.0028058000000000 ] - [ 0.0001410700000000, 0.0000959400000000, -0.0001525800000000 ] - [ 0.0022730700000000, 0.0021038000000000, -0.0028925300000000 ] - [ 0.0012677800000000, 0.0084089800000000, -0.0002588400000000 ] - [ -0.0013212400000000, 0.0086323200000000, 0.0001730200000000 ] - [ 0.0006481600000000, -0.0565520700000000, -0.0000548200000000 ] - [ -0.0000611200000000, -0.0000935600000000, 0.0000184700000000 ] - [ -0.0000179100000000, 0.0000902200000000, 0.0001088300000000 ] - [ -0.0002601900000000, 0.0000222800000000, -0.0000640800000000 ] - [ -0.0002514300000000, 0.0000500000000000, -0.0005592600000000 ] - [ 0.0001074400000000, 0.0000957800000000, 0.0002376300000000 ] - [ 0.0000990300000000, 0.0000848000000000, -0.0001080800000000 ] - [ 0.0000415400000000, 0.0000423900000000, 0.0006593600000000 ] - [ 0.0001575000000000, -0.0000538900000000, 0.0001199800000000 ] - [ 0.0001507500000000, 0.0000540400000000, 0.0001473400000000 ] - [ 0.0000473000000000, 0.0000012700000000, 0.0000146300000000 ] - [ 0.0000878700000000, 0.0001457000000000, -0.0000233900000000 ] - [ -0.0000050800000000, -0.0000244500000000, 0.0001573900000000 ] - [ -0.0000656000000000, -0.0000289700000000, 0.0000057200000000 ] - [ -0.0001696300000000, 0.0000340300000000, -0.0001298500000000 ] - [ -0.0001916500000000, -0.0000631300000000, -0.0001137900000000 ] - [ 0.0000257600000000, -0.0000280000000000, 0.0001436500000000 ] - [ -0.0000677000000000, -0.0000124300000000, -0.0000069700000000 ] - [ -0.0001132800000000, 0.0000028400000000, 0.0001035300000000 ] - [ -0.0001311700000000, 0.0000057200000000, 0.0000911000000000 ] - [ 0.0002334500000000, -0.0000087200000000, -0.0000227500000000 ] - [ -0.0000305300000000, 0.0000367200000000, 0.0001265700000000 ] - [ 0.0002308300000000, -0.0000078200000000, -0.0000424300000000 ] - [ 0.0000366700000000, -0.0000185600000000, -0.0000515400000000 ] - [ 0.0001575200000000, 0.0000493200000000, -0.0001031200000000 ] - [ 0.0001182000000000, -0.0000149900000000, -0.0001339200000000 ] - [ 0.0000674900000000, -0.0000074300000000, -0.0000797100000000 ] - [ -0.0000694400000000, 0.0000147600000000, -0.0000706200000000 ] - [ 0.0000662800000000, -0.0000092900000000, -0.0000474200000000 ] - [ -0.0000748100000000, 0.0000084200000000, -0.0000755200000000 ] - [ -0.0000372600000000, 0.0000115800000000, -0.0000503200000000 ] - [ -0.0002300600000000, -0.0000154600000000, -0.0000406400000000 ] - [ 0.0000590100000000, 0.0000471400000000, 0.0000053000000000 ] - [ 0.0000155400000000, -0.0000707300000000, 0.0000480600000000 ] - [ -0.0000772300000000, 0.0001292800000000, 0.0000555100000000 ] - [ -0.0002524500000000, -0.0000267300000000, -0.0000629300000000 ] - [ -0.0001018100000000, 0.0000264600000000, 0.0000456100000000 ] - [ 0.0001308300000000, 0.0000067500000000, 0.0001150800000000 ] - [ 0.0000844500000000, -0.0000072800000000, 0.0000454700000000 ] - [ -0.0001103000000000, 0.0000213800000000, 0.0000576800000000 ] - [ 0.0001050500000000, -0.0000830500000000, 0.0000473700000000 ] - [ 0.0001878700000000, 0.0000179000000000, 0.0001913900000000 ] - [ 0.0000402500000000, 0.0000050100000000, 0.0000025400000000 ] - [ -0.0000306200000000, 0.0001053500000000, -0.0000336600000000 ] - [ 0.0001181000000000, -0.0000657000000000, 0.0001597900000000 ] - [ -0.0000805200000000, 0.0005745600000000, 0.0000030800000000 ] - [ -0.0005231800000000, 0.0001835200000000, -0.0002705100000000 ] - [ 0.0001871700000000, 0.0000798000000000, -0.0000236300000000 ] - [ 0.0000421600000000, 0.0004905200000000, 0.0001366800000000 ] - [ 0.0000243700000000, 0.0000121900000000, 0.0000923800000000 ] - [ -0.0000855300000000, 0.0002287900000000, -0.0000018400000000 ] - [ -0.0000414400000000, -0.0001896600000000, -0.0000264700000000 ] - [ 0.0001536600000000, -0.0002403900000000, -0.0002727700000000 ] - [ -0.0001006300000000, -0.0001586400000000, 0.0000942900000000 ] - [ -0.0000587700000000, -0.0001526100000000, 0.0001136000000000 ] - [ -0.0000618100000000, -0.0000769300000000, -0.0004134600000000 ] - [ -0.0000339300000000, 0.0014458300000000, 0.0000950500000000 ] - [ 0.0000987100000000, -0.0000021600000000, 0.0000291400000000 ] - [ 0.0000701200000000, -0.0001286900000000, -0.0002089400000000 ] - [ 0.0000226800000000, -0.0002309000000000, 0.0000939200000000 ] - [ -0.0000995800000000, 0.0000107100000000, 0.0000157600000000 ] - [ 0.0000519300000000, 0.0000280800000000, -0.0001111300000000 ] - [ 0.0001022300000000, -0.0000357600000000, -0.0002211600000000 ] - [ 0.0000032000000000, -0.0000200100000000, 0.0000158400000000 ] - [ -0.0000579700000000, -0.0000358100000000, -0.0001266900000000 ] - [ -0.0001070600000000, 0.0000345200000000, -0.0002141500000000 ] - [ -0.0000287500000000, -0.0000067400000000, 0.0000810000000000 ] - [ 0.0000878100000000, -0.0001049000000000, 0.0000186600000000 ] - [ -0.0000176100000000, -0.0000032500000000, -0.0001226200000000 ] - [ -0.0001565300000000, 0.0003087300000000, -0.0001096200000000 ] - [ -0.0001365400000000, 0.0003012000000000, 0.0003481900000000 ] - [ 0.0000818400000000, 0.0005627700000000, 0.0001935800000000 ] - [ -0.0001268500000000, 0.0004607800000000, -0.0001180000000000 ] - [ 0.0015404500000000, 0.0125372600000000, -0.0008141300000000 ] - [ -0.0018626400000000, 0.0132637600000000, 0.0008479100000000 ] - [ -0.0000249400000000, 0.0005696500000000, 0.0001451700000000 ] - [ 0.0002347700000000, 0.0000212700000000, 0.0000369000000000 ] - [ 0.0001461100000000, 0.0003687400000000, -0.0002234900000000 ] - [ 0.0000181200000000, -0.0001345300000000, 0.0003219700000000 ] - [ -0.0000932100000000, -0.0002315000000000, -0.0000175800000000 ] - [ -0.0001252600000000, 0.0000602800000000, 0.0001751200000000 ] - [ -0.0000949700000000, -0.0000243800000000, 0.0000990900000000 ] - [ -0.0000543400000000, -0.0000323500000000, 0.0000388500000000 ] - [ 0.0000537100000000, 0.0000255200000000, 0.0000250600000000 ] - [ 0.0000636700000000, 0.0000764000000000, -0.0000695900000000 ] - [ -0.0000788700000000, -0.0001060200000000, -0.0000379800000000 ] - [ 0.0002225500000000, -0.0006726800000000, 0.0000297900000000 ] - [ 0.0001177200000000, 0.0003116600000000, -0.0001554100000000 ] - [ 0.0000590500000000, -0.0001596000000000, 0.0002837100000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005907000000000, 0.0000000000000000, 0.0002954400000000 ] - [ -0.0013326200000000, 0.0007282300000000, 0.0014634200000000 ] - [ -0.0013326200000000, -0.0007282300000000, 0.0014634200000000 ] - [ 0.0002004600000000, 0.0000000000000000, -0.0000265300000000 ] - [ 0.0008742400000000, 0.0000000000000000, -0.0006732700000000 ] - [ -0.0000510300000000, 0.0001400000000000, -0.0010427800000000 ] - [ -0.0000510300000000, -0.0001400000000000, -0.0010427800000000 ] - [ 0.0031986700000000, -0.0029815800000000, 0.0033672200000000 ] - [ 0.0031986700000000, 0.0029815800000000, 0.0033672200000000 ] - [ 0.0001832100000000, -0.0002205700000000, -0.0002037600000000 ] - [ -0.0045587600000000, 0.0047214700000000, 0.0040435200000000 ] - [ 0.0001832100000000, 0.0002205700000000, -0.0002037600000000 ] - [ -0.0045587600000000, -0.0047214700000000, 0.0040435200000000 ] - [ -0.0002670000000000, -0.0001175500000000, -0.0001020900000000 ] - [ -0.0002670000000000, 0.0001175500000000, -0.0001020900000000 ] - [ -0.0032464200000000, 0.0000000000000000, -0.0498244000000000 ] - [ 0.0000192500000000, -0.0001226000000000, 0.0001396200000000 ] - [ 0.0000192500000000, 0.0001226000000000, 0.0001396200000000 ] - [ -0.0001450800000000, 0.0000000000000000, -0.0000968600000000 ] - [ 0.0002519000000000, -0.0004137200000000, 0.0010433300000000 ] - [ 0.0000941000000000, 0.0000955200000000, 0.0000934500000000 ] - [ 0.0000941000000000, -0.0000955200000000, 0.0000934500000000 ] - [ 0.0002519000000000, 0.0004137200000000, 0.0010433300000000 ] - [ 0.0001521100000000, -0.0000715100000000, 0.0002160100000000 ] - [ 0.0001521100000000, 0.0000715100000000, 0.0002160100000000 ] - [ -0.0001461500000000, 0.0000000000000000, 0.0000758100000000 ] - [ -0.0000425500000000, -0.0000710500000000, 0.0002162600000000 ] - [ -0.0000425500000000, 0.0000710500000000, 0.0002162600000000 ] - [ -0.0000635000000000, 0.0000000000000000, 0.0000256000000000 ] - [ -0.0001643600000000, 0.0000243600000000, -0.0000893700000000 ] - [ -0.0001643600000000, -0.0000243600000000, -0.0000893700000000 ] - [ 0.0000309700000000, 0.0000000000000000, 0.0001601600000000 ] - [ -0.0000063600000000, 0.0000000000000000, 0.0000107200000000 ] - [ -0.0001130300000000, -0.0000088600000000, 0.0001163800000000 ] - [ -0.0001130300000000, 0.0000088600000000, 0.0001163800000000 ] - [ 0.0002116100000000, 0.0000000000000000, -0.0000140600000000 ] - [ -0.0000466400000000, 0.0000000000000000, 0.0001476200000000 ] - [ 0.0000931700000000, 0.0000058700000000, -0.0000425900000000 ] - [ 0.0000931700000000, -0.0000058700000000, -0.0000425900000000 ] - [ 0.0001354800000000, 0.0000132500000000, -0.0001011800000000 ] - [ 0.0001354800000000, -0.0000132500000000, -0.0001011800000000 ] - [ 0.0000725900000000, -0.0000113400000000, -0.0000102800000000 ] - [ -0.0000714500000000, -0.0000140100000000, -0.0000189100000000 ] - [ 0.0000725900000000, 0.0000113400000000, -0.0000102800000000 ] - [ -0.0000714500000000, 0.0000140100000000, -0.0000189100000000 ] - [ -0.0000853000000000, 0.0000042200000000, -0.0000365500000000 ] - [ -0.0000853000000000, -0.0000042200000000, -0.0000365500000000 ] - [ 0.0000820300000000, 0.0000000000000000, 0.0000254200000000 ] - [ -0.0001065700000000, -0.0001156100000000, 0.0001033200000000 ] - [ -0.0001065700000000, 0.0001156100000000, 0.0001033200000000 ] - [ -0.0002245400000000, 0.0000000000000000, -0.0000027400000000 ] - [ -0.0000978600000000, -0.0000012100000000, 0.0001121000000000 ] - [ 0.0001237800000000, -0.0000262700000000, 0.0000831400000000 ] - [ 0.0001237800000000, 0.0000262700000000, 0.0000831400000000 ] - [ -0.0000978600000000, 0.0000012100000000, 0.0001121000000000 ] - [ 0.0000808100000000, 0.0000518000000000, 0.0000446200000000 ] - [ 0.0000808100000000, -0.0000518000000000, 0.0000446200000000 ] - [ 0.0001014300000000, 0.0000000000000000, -0.0000318600000000 ] - [ 0.0001800200000000, 0.0000690900000000, 0.0002124200000000 ] - [ 0.0001800200000000, -0.0000690900000000, 0.0002124200000000 ] - [ -0.0000285000000000, 0.0000000000000000, -0.0000022700000000 ] - [ -0.0003308900000000, 0.0000190600000000, -0.0002000800000000 ] - [ -0.0003308900000000, -0.0000190600000000, -0.0002000800000000 ] - [ 0.0000422000000000, 0.0000000000000000, 0.0000375700000000 ] - [ 0.0000248700000000, 0.0000000000000000, 0.0000656300000000 ] - [ -0.0009314100000000, 0.0000000000000000, 0.0173255600000000 ] - [ 0.0002631700000000, 0.0004908800000000, -0.0000273100000000 ] - [ 0.0002631700000000, -0.0004908800000000, -0.0000273100000000 ] - [ 0.0001598900000000, 0.0002763300000000, -0.0003087200000000 ] - [ -0.0000978500000000, 0.0002678100000000, -0.0001505700000000 ] - [ -0.0000978500000000, -0.0002678100000000, -0.0001505700000000 ] - [ 0.0043868500000000, 0.0000000000000000, 0.0031640000000000 ] - [ 0.0000927100000000, 0.0000000000000000, -0.0000135700000000 ] - [ 0.0001598900000000, -0.0002763300000000, -0.0003087200000000 ] - [ -0.0000179000000000, 0.0000000000000000, 0.0001640200000000 ] - [ -0.0000946500000000, 0.0000000000000000, -0.0000000100000000 ] - [ 0.0000777100000000, 0.0000275500000000, -0.0002127000000000 ] - [ 0.0000777100000000, -0.0000275500000000, -0.0002127000000000 ] - [ -0.0000269600000000, 0.0000246600000000, -0.0001700300000000 ] - [ -0.0000727100000000, -0.0000313000000000, -0.0002003200000000 ] - [ -0.0000727100000000, 0.0000313000000000, -0.0002003200000000 ] - [ -0.0000257200000000, 0.0000000000000000, 0.0000632000000000 ] - [ 0.0000410100000000, 0.0000000000000000, -0.0000041800000000 ] - [ -0.0000269600000000, -0.0000246600000000, -0.0001700300000000 ] - [ -0.0003626000000000, 0.0000122100000000, -0.0001766200000000 ] - [ -0.0003626000000000, -0.0000122100000000, -0.0001766200000000 ] - [ 0.0005664300000000, 0.0000000000000000, 0.0004224200000000 ] - [ 0.0001523800000000, 0.0000262300000000, -0.0005307000000000 ] - [ 0.0016611600000000, 0.0012227700000000, 0.0071329700000000 ] - [ 0.0016611600000000, -0.0012227700000000, 0.0071329700000000 ] - [ 0.0001523800000000, -0.0000262300000000, -0.0005307000000000 ] - [ 0.0004956100000000, 0.0000000000000000, -0.0002200300000000 ] - [ 0.0000461600000000, 0.0003889000000000, -0.0004601200000000 ] - [ 0.0000461600000000, -0.0003889000000000, -0.0004601200000000 ] - [ -0.0000397700000000, -0.0003632200000000, 0.0000335100000000 ] - [ -0.0000397700000000, 0.0003632200000000, 0.0000335100000000 ] - [ -0.0002258000000000, 0.0000000000000000, -0.0000115000000000 ] - [ -0.0000456900000000, -0.0000037000000000, -0.0000363400000000 ] - [ 0.0000456600000000, -0.0000104500000000, -0.0000402900000000 ] - [ 0.0000456600000000, 0.0000104500000000, -0.0000402900000000 ] - [ -0.0000456900000000, 0.0000037000000000, -0.0000363400000000 ] - [ 0.0001915100000000, 0.0000000000000000, 0.0002112600000000 ] - [ 0.0001015100000000, -0.0000741100000000, 0.0001034700000000 ] - [ 0.0001015100000000, 0.0000741100000000, 0.0001034700000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005072100000000, 0.0000000000000000, -0.0003190200000000 ] - [ 0.0010981800000000, -0.0007823700000000, -0.0012800600000000 ] - [ 0.0010981800000000, 0.0007823700000000, -0.0012800600000000 ] - [ 0.0002714000000000, 0.0000000000000000, -0.0000606800000000 ] - [ -0.0009342300000000, 0.0000000000000000, 0.0009307000000000 ] - [ 0.0001216700000000, -0.0001187000000000, 0.0009483000000000 ] - [ 0.0001216700000000, 0.0001187000000000, 0.0009483000000000 ] - [ -0.0029688400000000, 0.0031006100000000, -0.0037117900000000 ] - [ -0.0029688400000000, -0.0031006100000000, -0.0037117900000000 ] - [ -0.0000331900000000, 0.0001945100000000, 0.0000883800000000 ] - [ 0.0043367000000000, -0.0046602700000000, -0.0040816300000000 ] - [ -0.0000331900000000, -0.0001945100000000, 0.0000883800000000 ] - [ 0.0043367000000000, 0.0046602700000000, -0.0040816300000000 ] - [ 0.0001802000000000, 0.0001708700000000, 0.0000038300000000 ] - [ 0.0001802000000000, -0.0001708700000000, 0.0000038300000000 ] - [ 0.0033238900000000, 0.0000000000000000, 0.0507800400000000 ] - [ -0.0000647900000000, -0.0000567000000000, -0.0000080900000000 ] - [ -0.0000647900000000, 0.0000567000000000, -0.0000080900000000 ] - [ -0.0003196300000000, 0.0000000000000000, 0.0000397600000000 ] - [ -0.0004539600000000, 0.0004277300000000, -0.0008945300000000 ] - [ 0.0001180000000000, -0.0000755200000000, 0.0000527300000000 ] - [ 0.0001180000000000, 0.0000755200000000, 0.0000527300000000 ] - [ -0.0004539600000000, -0.0004277300000000, -0.0008945300000000 ] - [ 0.0000882600000000, 0.0000567400000000, -0.0000299700000000 ] - [ 0.0000882600000000, -0.0000567400000000, -0.0000299700000000 ] - [ 0.0002624200000000, 0.0000000000000000, -0.0000890400000000 ] - [ 0.0000931700000000, 0.0002486900000000, -0.0000805800000000 ] - [ 0.0000931700000000, -0.0002486900000000, -0.0000805800000000 ] - [ -0.0000803600000000, 0.0000000000000000, -0.0000212200000000 ] - [ -0.0001124500000000, 0.0000303700000000, -0.0001803300000000 ] - [ -0.0001124500000000, -0.0000303700000000, -0.0001803300000000 ] - [ 0.0000478500000000, 0.0000000000000000, 0.0000780700000000 ] - [ -0.0001178900000000, 0.0000000000000000, -0.0000396000000000 ] - [ -0.0001101000000000, 0.0000133500000000, 0.0000524500000000 ] - [ -0.0001101000000000, -0.0000133500000000, 0.0000524500000000 ] - [ 0.0002434700000000, 0.0000000000000000, -0.0000287700000000 ] - [ -0.0000371800000000, 0.0000000000000000, 0.0000950100000000 ] - [ 0.0000379800000000, 0.0000224700000000, -0.0000577100000000 ] - [ 0.0000379800000000, -0.0000224700000000, -0.0000577100000000 ] - [ 0.0001328500000000, 0.0000384400000000, -0.0001728100000000 ] - [ 0.0001328500000000, -0.0000384400000000, -0.0001728100000000 ] - [ 0.0000724900000000, -0.0000043200000000, -0.0001350900000000 ] - [ -0.0000721000000000, -0.0000096100000000, -0.0001163300000000 ] - [ 0.0000724900000000, 0.0000043200000000, -0.0001350900000000 ] - [ -0.0000721000000000, 0.0000096100000000, -0.0001163300000000 ] - [ -0.0000403500000000, 0.0000213900000000, -0.0000623400000000 ] - [ -0.0000403500000000, -0.0000213900000000, -0.0000623400000000 ] - [ 0.0000710100000000, 0.0000000000000000, -0.0000136100000000 ] - [ 0.0000577500000000, -0.0000569000000000, 0.0000214300000000 ] - [ 0.0000577500000000, 0.0000569000000000, 0.0000214300000000 ] - [ -0.0001946600000000, 0.0000000000000000, -0.0000003400000000 ] - [ -0.0001152500000000, 0.0000296300000000, 0.0000328600000000 ] - [ 0.0000858300000000, 0.0000367900000000, 0.0000358700000000 ] - [ 0.0000858300000000, -0.0000367900000000, 0.0000358700000000 ] - [ -0.0001152500000000, -0.0000296300000000, 0.0000328600000000 ] - [ 0.0000926000000000, 0.0000217800000000, 0.0000637800000000 ] - [ 0.0000926000000000, -0.0000217800000000, 0.0000637800000000 ] - [ 0.0000396300000000, 0.0000000000000000, -0.0000373300000000 ] - [ -0.0001463000000000, 0.0001258000000000, -0.0000966000000000 ] - [ -0.0001463000000000, -0.0001258000000000, -0.0000966000000000 ] - [ -0.0001454500000000, 0.0000000000000000, 0.0000087100000000 ] - [ 0.0001166700000000, 0.0000050300000000, -0.0001009600000000 ] - [ 0.0001166700000000, -0.0000050300000000, -0.0001009600000000 ] - [ 0.0000560700000000, 0.0000000000000000, 0.0001748600000000 ] - [ 0.0000270600000000, 0.0000000000000000, 0.0001140800000000 ] - [ 0.0008209400000000, 0.0000000000000000, -0.0182561500000000 ] - [ -0.0001336600000000, -0.0004266000000000, -0.0002791600000000 ] - [ -0.0001336600000000, 0.0004266000000000, -0.0002791600000000 ] - [ -0.0001456500000000, -0.0002649000000000, 0.0002018400000000 ] - [ -0.0000291800000000, -0.0003309300000000, -0.0001609200000000 ] - [ -0.0000291800000000, 0.0003309300000000, -0.0001609200000000 ] - [ -0.0043255600000000, 0.0000000000000000, -0.0029780000000000 ] - [ 0.0000911800000000, 0.0000000000000000, 0.0000351100000000 ] - [ -0.0001456500000000, 0.0002649000000000, 0.0002018400000000 ] - [ 0.0000701300000000, 0.0000000000000000, 0.0000131300000000 ] - [ -0.0000826700000000, 0.0000000000000000, 0.0000120900000000 ] - [ 0.0000535800000000, 0.0000386100000000, -0.0000984300000000 ] - [ 0.0000535800000000, -0.0000386100000000, -0.0000984300000000 ] - [ 0.0000262000000000, -0.0000283000000000, 0.0000575500000000 ] - [ -0.0000536800000000, -0.0000288100000000, -0.0001109800000000 ] - [ -0.0000536800000000, 0.0000288100000000, -0.0001109800000000 ] - [ -0.0000239400000000, 0.0000000000000000, 0.0001222100000000 ] - [ 0.0001265700000000, 0.0000000000000000, 0.0000001200000000 ] - [ 0.0000262000000000, 0.0000283000000000, 0.0000575500000000 ] - [ 0.0001695300000000, -0.0003887300000000, 0.0003243700000000 ] - [ 0.0001695300000000, 0.0003887300000000, 0.0003243700000000 ] - [ -0.0008959500000000, 0.0000000000000000, -0.0003038000000000 ] - [ -0.0002692800000000, -0.0000702500000000, 0.0005158600000000 ] - [ -0.0014914400000000, -0.0011699200000000, -0.0071184400000000 ] - [ -0.0014914400000000, 0.0011699200000000, -0.0071184400000000 ] - [ -0.0002692800000000, 0.0000702500000000, 0.0005158600000000 ] - [ -0.0002227100000000, 0.0000000000000000, 0.0003749000000000 ] - [ 0.0001648100000000, -0.0000794100000000, 0.0006031800000000 ] - [ 0.0001648100000000, 0.0000794100000000, 0.0006031800000000 ] - [ -0.0001762700000000, 0.0001017800000000, 0.0001265100000000 ] - [ -0.0001762700000000, -0.0001017800000000, 0.0001265100000000 ] - [ 0.0000315500000000, 0.0000000000000000, 0.0002078500000000 ] - [ -0.0000656900000000, -0.0000234200000000, 0.0000595000000000 ] - [ 0.0000700900000000, 0.0000205100000000, 0.0000515100000000 ] - [ 0.0000700900000000, -0.0000205100000000, 0.0000515100000000 ] - [ -0.0000656900000000, 0.0000234200000000, 0.0000595000000000 ] - [ -0.0001754400000000, 0.0000000000000000, 0.0000469200000000 ] - [ 0.0001482200000000, 0.0002056000000000, 0.0000937800000000 ] - [ 0.0001482200000000, -0.0002056000000000, 0.0000937800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000678700000000, 0.0000097700000000, 0.0000052200000000 ] - [ -0.0001408500000000, -0.0000368800000000, 0.0001154900000000 ] - [ -0.0001494800000000, 0.0000439100000000, 0.0001142000000000 ] - [ 0.0002441900000000, 0.0000071300000000, -0.0000639800000000 ] - [ 0.0000032700000000, -0.0000300200000000, 0.0001623700000000 ] - [ 0.0000348800000000, 0.0000104300000000, -0.0000307000000000 ] - [ 0.0002174000000000, -0.0000061000000000, 0.0000211800000000 ] - [ 0.0001381500000000, 0.0000335700000000, -0.0001367400000000 ] - [ 0.0001710000000000, -0.0000431900000000, -0.0000810700000000 ] - [ 0.0007237100000000, 0.0002347900000000, 0.0019496300000000 ] - [ -0.0000670100000000, -0.0000360100000000, 0.0000321300000000 ] - [ 0.0000603900000000, 0.0000313900000000, -0.0000073200000000 ] - [ 0.0005278100000000, -0.0001465700000000, 0.0016306700000000 ] - [ -0.0000204500000000, 0.0000072800000000, 0.0000623800000000 ] - [ -0.0000332400000000, -0.0000094200000000, -0.0000296700000000 ] - [ 0.0000624500000000, -0.0000235400000000, 0.0000417900000000 ] - [ -0.0680524500000000, -0.0103665100000000, 0.0118926000000000 ] - [ -0.0001855400000000, 0.0001017600000000, 0.0000588200000000 ] - [ -0.0017695200000000, -0.0014259700000000, -0.0000436100000000 ] - [ 0.0016530800000000, 0.0031212200000000, -0.0041479600000000 ] - [ 0.0000703700000000, -0.0000220900000000, 0.0001575700000000 ] - [ 0.0018523800000000, -0.0024676800000000, -0.0037124500000000 ] - [ -0.0001169500000000, 0.0000802700000000, 0.0001078000000000 ] - [ 0.0013058200000000, 0.0012949100000000, 0.0018994900000000 ] - [ 0.0001528200000000, 0.0001967200000000, 0.0001969200000000 ] - [ -0.0008102800000000, 0.0007013600000000, -0.0001338500000000 ] - [ 0.0163113800000000, 0.0009145100000000, 0.0004183000000000 ] - [ -0.0000887500000000, -0.0000625800000000, 0.0001141400000000 ] - [ 0.0000333200000000, -0.0000840700000000, -0.0001754900000000 ] - [ -0.0002572800000000, -0.0001399200000000, -0.0002108900000000 ] - [ 0.0011260600000000, -0.0016181300000000, -0.0028040500000000 ] - [ -0.0000144400000000, -0.0000596400000000, -0.0000025200000000 ] - [ -0.0014240700000000, 0.0016051800000000, -0.0000573500000000 ] - [ -0.0000880000000000, 0.0001917500000000, 0.0000098100000000 ] - [ 0.0016573800000000, -0.0023916200000000, 0.0023662700000000 ] - [ 0.0002157200000000, -0.0009325200000000, 0.0000548500000000 ] - [ 0.0000568300000000, 0.0000434900000000, -0.0000114400000000 ] - [ 0.0001318800000000, -0.0000105700000000, -0.0001241200000000 ] - [ 0.0000146700000000, -0.0000029900000000, -0.0000774800000000 ] - [ 0.0009450700000000, 0.0007712400000000, -0.0012707700000000 ] - [ 0.0000602600000000, 0.0000820400000000, -0.0002004700000000 ] - [ 0.0000602000000000, -0.0000182600000000, -0.0000384400000000 ] - [ -0.0000756900000000, -0.0000035600000000, -0.0001277000000000 ] - [ 0.0000451700000000, -0.0000043600000000, -0.0001216700000000 ] - [ -0.0000794900000000, 0.0000062900000000, -0.0000583800000000 ] - [ 0.0000045500000000, 0.0000215000000000, -0.0000684900000000 ] - [ -0.0000555600000000, 0.0000009000000000, -0.0001083900000000 ] - [ 0.0000588000000000, 0.0000458600000000, -0.0000910100000000 ] - [ -0.0000380700000000, -0.0000908500000000, 0.0000507800000000 ] - [ -0.0000446800000000, 0.0000832100000000, 0.0000486400000000 ] - [ -0.0002914500000000, 0.0000015100000000, -0.0001097100000000 ] - [ -0.0001053400000000, 0.0000083100000000, 0.0000183000000000 ] - [ 0.0001062600000000, 0.0000076800000000, 0.0000146300000000 ] - [ 0.0001015000000000, -0.0000202400000000, 0.0000308400000000 ] - [ -0.0001106200000000, 0.0000002000000000, 0.0000176600000000 ] - [ 0.0001843100000000, -0.0001054200000000, 0.0001705200000000 ] - [ 0.0001797000000000, 0.0000982800000000, 0.0001574300000000 ] - [ 0.0000417200000000, -0.0000010700000000, 0.0000285300000000 ] - [ 0.0000374200000000, 0.0000665500000000, 0.0000543300000000 ] - [ 0.0000469100000000, -0.0000796600000000, 0.0000520000000000 ] - [ -0.0000218100000000, 0.0000488500000000, 0.0000750800000000 ] - [ -0.0002276200000000, 0.0000610400000000, -0.0000730300000000 ] - [ -0.0001932300000000, -0.0000499600000000, -0.0001425700000000 ] - [ 0.0000153500000000, 0.0000225900000000, 0.0001809800000000 ] - [ 0.0000247700000000, -0.0000050700000000, 0.0001324100000000 ] - [ -0.0001006900000000, 0.0000001300000000, 0.0000080300000000 ] - [ -0.0004837800000000, -0.0000181800000000, -0.0002234900000000 ] - [ 0.0000243800000000, -0.0000020100000000, -0.0001385900000000 ] - [ -0.0000094700000000, -0.0000090900000000, -0.0000683300000000 ] - [ 0.0011522600000000, -0.0000209800000000, -0.0014901700000000 ] - [ -0.0000301300000000, 0.0000522700000000, -0.0001563800000000 ] - [ 0.0000842700000000, -0.0001389100000000, 0.0002429400000000 ] - [ -0.0003139300000000, 0.0001868100000000, 0.0000844300000000 ] - [ -0.0000070600000000, 0.0000058200000000, -0.0000628900000000 ] - [ 0.0000971700000000, 0.0001224300000000, 0.0002431200000000 ] - [ 0.0001472000000000, -0.0003056600000000, 0.0001317000000000 ] - [ 0.0000608600000000, 0.0000366400000000, -0.0001418400000000 ] - [ 0.0000635800000000, -0.0000386200000000, -0.0001290200000000 ] - [ 0.0196680600000000, -0.0009109600000000, -0.0091456100000000 ] - [ -0.0000685600000000, -0.0000276500000000, -0.0001444900000000 ] - [ -0.0000701900000000, 0.0000326800000000, -0.0001302000000000 ] - [ -0.0000240100000000, 0.0000022600000000, 0.0000858700000000 ] - [ 0.0001027300000000, 0.0000025000000000, 0.0000224600000000 ] - [ -0.0000404100000000, 0.0000802000000000, -0.0000972200000000 ] - [ -0.0001073800000000, -0.0002067400000000, 0.0000591800000000 ] - [ -0.0000851800000000, 0.0002122000000000, 0.0000801600000000 ] - [ -0.0001803700000000, 0.0000302900000000, 0.0000405800000000 ] - [ -0.0000947800000000, 0.0002526600000000, -0.0006779200000000 ] - [ 0.0000383700000000, -0.0002008100000000, -0.0006760000000000 ] - [ 0.0000344700000000, 0.0000096000000000, -0.0001018700000000 ] - [ -0.0000328000000000, -0.0000127600000000, -0.0000408700000000 ] - [ 0.0015097200000000, 0.0001940900000000, -0.0007145500000000 ] - [ -0.0012454800000000, 0.0027865000000000, -0.0001241900000000 ] - [ 0.0190532000000000, 0.0067127900000000, 0.0021394500000000 ] - [ -0.0003823400000000, -0.0005993300000000, 0.0000083700000000 ] - [ 0.0069424400000000, 0.0028232000000000, 0.0013327300000000 ] - [ -0.0003174500000000, -0.0006660100000000, 0.0001331700000000 ] - [ -0.0000643700000000, 0.0000518600000000, 0.0001269100000000 ] - [ 0.0000522400000000, 0.0000329700000000, 0.0000526900000000 ] - [ 0.0001017600000000, 0.0000924900000000, 0.0005121600000000 ] - [ -0.0001115000000000, -0.0002220600000000, 0.0007441000000000 ] - [ 0.0003612200000000, -0.0000265300000000, -0.0000269500000000 ] - [ 0.0000699000000000, 0.0003443600000000, 0.0000178900000000 ] - [ 0.0000588500000000, -0.0003194700000000, 0.0000422000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000394500000000, 0.0000004300000000, -0.0000155400000000 ] - [ -0.0000955800000000, 0.0000393800000000, 0.0000602100000000 ] - [ -0.0000911800000000, -0.0000478300000000, 0.0000515300000000 ] - [ 0.0002023200000000, 0.0000005800000000, 0.0000091000000000 ] - [ -0.0001062200000000, 0.0000292500000000, 0.0000705300000000 ] - [ 0.0000201200000000, 0.0000170200000000, -0.0000632300000000 ] - [ -0.0001703000000000, -0.0000188200000000, -0.0001167800000000 ] - [ 0.0001335900000000, 0.0000101700000000, -0.0001768300000000 ] - [ 0.0000911500000000, 0.0000039600000000, -0.0002249000000000 ] - [ -0.0005861800000000, -0.0002628100000000, -0.0020536200000000 ] - [ -0.0000876900000000, 0.0000281500000000, -0.0001280700000000 ] - [ 0.0000804600000000, -0.0000170600000000, -0.0000749100000000 ] - [ -0.0006883000000000, 0.0001617000000000, -0.0017510300000000 ] - [ -0.0000267500000000, 0.0000291600000000, -0.0001532000000000 ] - [ -0.0000227200000000, -0.0000221800000000, -0.0000617700000000 ] - [ 0.0001012300000000, 0.0000246000000000, -0.0000507900000000 ] - [ 0.0679312100000000, 0.0098632500000000, -0.0123382100000000 ] - [ 0.0001398200000000, 0.0001117300000000, 0.0000780000000000 ] - [ 0.0012946900000000, 0.0014068800000000, -0.0000085700000000 ] - [ -0.0018768400000000, -0.0030942100000000, 0.0042759600000000 ] - [ 0.0001484200000000, 0.0000532700000000, 0.0000662000000000 ] - [ -0.0016428400000000, 0.0024189000000000, 0.0039058600000000 ] - [ -0.0000946900000000, -0.0000855400000000, 0.0000477200000000 ] - [ -0.0010691100000000, -0.0012997200000000, -0.0017040300000000 ] - [ 0.0000800100000000, -0.0001673000000000, -0.0000199500000000 ] - [ 0.0008714100000000, -0.0007122600000000, 0.0001092100000000 ] - [ -0.0158339500000000, -0.0007282400000000, -0.0002577400000000 ] - [ 0.0001574400000000, -0.0001049500000000, 0.0000428700000000 ] - [ -0.0001857300000000, 0.0000689000000000, 0.0001732300000000 ] - [ -0.0000416800000000, 0.0002125400000000, -0.0001192800000000 ] - [ -0.0014352200000000, 0.0015476200000000, 0.0025300200000000 ] - [ 0.0000966500000000, 0.0000476700000000, 0.0002373800000000 ] - [ 0.0012407900000000, -0.0015769500000000, -0.0000512700000000 ] - [ 0.0000234800000000, 0.0000331000000000, -0.0000307000000000 ] - [ -0.0017236000000000, 0.0021459000000000, -0.0023610700000000 ] - [ 0.0001071500000000, 0.0009282400000000, 0.0000717400000000 ] - [ -0.0001540000000000, -0.0000387900000000, 0.0001585600000000 ] - [ -0.0000326600000000, 0.0000346300000000, 0.0000078700000000 ] - [ 0.0000182400000000, -0.0000118400000000, -0.0000369700000000 ] - [ -0.0008184600000000, -0.0007906300000000, 0.0009676400000000 ] - [ 0.0000712300000000, -0.0000685200000000, -0.0001205300000000 ] - [ 0.0000869400000000, -0.0000004600000000, -0.0000653400000000 ] - [ -0.0000761000000000, -0.0000090200000000, -0.0000286700000000 ] - [ 0.0000950200000000, 0.0000264700000000, -0.0000059900000000 ] - [ -0.0000755000000000, -0.0000094300000000, -0.0000902700000000 ] - [ -0.0000287100000000, 0.0000219700000000, -0.0000412400000000 ] - [ -0.0000352100000000, -0.0000309400000000, -0.0000051800000000 ] - [ 0.0000907000000000, -0.0000425700000000, 0.0000692200000000 ] - [ -0.0000282000000000, -0.0001201800000000, 0.0000565700000000 ] - [ -0.0000147300000000, 0.0001163800000000, 0.0000641700000000 ] - [ -0.0002289100000000, -0.0000003600000000, -0.0000264200000000 ] - [ -0.0001047200000000, -0.0000161600000000, 0.0000701100000000 ] - [ 0.0001007700000000, 0.0000310400000000, 0.0001120300000000 ] - [ 0.0001067800000000, -0.0000125500000000, 0.0001070000000000 ] - [ -0.0000991600000000, -0.0000043100000000, 0.0000839200000000 ] - [ 0.0001079600000000, -0.0000096900000000, 0.0000813300000000 ] - [ 0.0001129600000000, 0.0000108400000000, 0.0000867900000000 ] - [ 0.0000609700000000, -0.0000001400000000, -0.0000417500000000 ] - [ 0.0000288500000000, 0.0000740000000000, 0.0000561500000000 ] - [ 0.0000151300000000, -0.0000714600000000, 0.0000627400000000 ] - [ -0.0001434000000000, -0.0000550500000000, -0.0000442400000000 ] - [ -0.0001012200000000, 0.0000362600000000, -0.0002239500000000 ] - [ -0.0001382900000000, -0.0000530000000000, -0.0001521500000000 ] - [ 0.0000709600000000, -0.0000275300000000, 0.0001036200000000 ] - [ 0.0000188300000000, 0.0000051000000000, 0.0000530000000000 ] - [ -0.0000841200000000, 0.0000017400000000, 0.0000041900000000 ] - [ 0.0006031000000000, 0.0000774300000000, -0.0000691500000000 ] - [ 0.0000915100000000, -0.0000549300000000, -0.0001614000000000 ] - [ -0.0000013100000000, -0.0000060500000000, -0.0000595700000000 ] - [ -0.0012819100000000, -0.0000444500000000, 0.0012005500000000 ] - [ -0.0000972700000000, 0.0000141400000000, -0.0001515500000000 ] - [ -0.0001385800000000, 0.0001377200000000, -0.0000643200000000 ] - [ 0.0004875200000000, -0.0001923200000000, -0.0000733900000000 ] - [ -0.0000017800000000, 0.0000048300000000, -0.0000627000000000 ] - [ -0.0000537800000000, -0.0001251400000000, -0.0000480700000000 ] - [ -0.0002989500000000, 0.0003066300000000, -0.0001872100000000 ] - [ 0.0000558900000000, 0.0000256500000000, -0.0001535800000000 ] - [ 0.0000605200000000, -0.0000212400000000, -0.0001798300000000 ] - [ -0.0206680300000000, 0.0009098300000000, 0.0095311600000000 ] - [ -0.0000575100000000, -0.0000342600000000, -0.0001589400000000 ] - [ -0.0000617300000000, 0.0000331300000000, -0.0001810800000000 ] - [ -0.0000302200000000, -0.0000062600000000, 0.0000790300000000 ] - [ 0.0000765500000000, -0.0000057900000000, 0.0000094800000000 ] - [ 0.0000100600000000, -0.0000477400000000, -0.0000045500000000 ] - [ -0.0000800700000000, -0.0000919800000000, 0.0001141900000000 ] - [ -0.0000983800000000, 0.0001251300000000, 0.0000811700000000 ] - [ -0.0000990800000000, -0.0000151600000000, 0.0000862700000000 ] - [ -0.0000469100000000, -0.0003147000000000, 0.0007262200000000 ] - [ 0.0000812700000000, 0.0002878800000000, 0.0006836500000000 ] - [ 0.0000852900000000, -0.0000677700000000, 0.0001133000000000 ] - [ -0.0001045300000000, 0.0000619200000000, 0.0000778300000000 ] - [ -0.0011943200000000, -0.0002137000000000, 0.0008337000000000 ] - [ 0.0014221700000000, -0.0024282700000000, 0.0002906900000000 ] - [ -0.0184838500000000, -0.0066194300000000, -0.0019140700000000 ] - [ 0.0000690000000000, 0.0007451100000000, 0.0002722800000000 ] - [ -0.0068715400000000, -0.0031958800000000, -0.0010169100000000 ] - [ 0.0006351600000000, 0.0006570100000000, 0.0003014400000000 ] - [ -0.0000615500000000, -0.0001158400000000, -0.0000571700000000 ] - [ 0.0000492600000000, 0.0000601800000000, -0.0000743200000000 ] - [ 0.0000067100000000, -0.0001448500000000, -0.0005360100000000 ] - [ -0.0000143200000000, 0.0002710400000000, -0.0007139600000000 ] - [ 0.0001060800000000, 0.0000242300000000, 0.0000629000000000 ] - [ 0.0000860200000000, 0.0001280500000000, 0.0001030700000000 ] - [ 0.0000956100000000, -0.0001544200000000, 0.0000705300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000660200000000, -0.0000021900000000, -0.0000335600000000 ] - [ -0.0001007300000000, 0.0000316000000000, 0.0000535500000000 ] - [ -0.0000969000000000, -0.0000217300000000, 0.0000531200000000 ] - [ 0.0002091800000000, 0.0000005400000000, -0.0000003200000000 ] - [ -0.0000245400000000, 0.0000467700000000, 0.0000035400000000 ] - [ 0.0000204900000000, 0.0000120200000000, -0.0000346900000000 ] - [ 0.0000055700000000, -0.0000617800000000, -0.0000174000000000 ] - [ 0.0000878200000000, 0.0000480400000000, -0.0001564000000000 ] - [ 0.0001196700000000, -0.0000377900000000, -0.0002100900000000 ] - [ 0.0004961900000000, 0.0000219100000000, 0.0015628500000000 ] - [ -0.0000983600000000, 0.0000484200000000, -0.0000946900000000 ] - [ 0.0000769200000000, 0.0000660200000000, 0.0001500300000000 ] - [ -0.0002704600000000, 0.0000119300000000, -0.0007561900000000 ] - [ -0.0000210600000000, -0.0000087900000000, -0.0000149100000000 ] - [ -0.0000271300000000, 0.0000035200000000, -0.0000277600000000 ] - [ 0.0000513400000000, 0.0000087900000000, -0.0000414400000000 ] - [ -0.0106437000000000, -0.0455399000000000, 0.0005887300000000 ] - [ -0.0000101500000000, 0.0005340400000000, 0.0000126000000000 ] - [ 0.0008890600000000, 0.0046293400000000, 0.0003680400000000 ] - [ 0.0030464400000000, 0.0027090200000000, -0.0045996700000000 ] - [ 0.0001434400000000, 0.0001600600000000, 0.0001022000000000 ] - [ -0.0028500500000000, 0.0022307300000000, 0.0043268900000000 ] - [ -0.0000880600000000, 0.0001817000000000, 0.0000182200000000 ] - [ 0.0010593600000000, 0.0009596000000000, 0.0019696300000000 ] - [ 0.0002221900000000, 0.0004348900000000, 0.0005104900000000 ] - [ 0.0015011500000000, 0.0016873900000000, 0.0003927600000000 ] - [ 0.0008234600000000, -0.0011560600000000, 0.0001970400000000 ] - [ 0.0000182000000000, 0.0001995700000000, 0.0000999100000000 ] - [ -0.0000815800000000, 0.0000081000000000, 0.0000339700000000 ] - [ -0.0003744500000000, 0.0000331900000000, -0.0002249700000000 ] - [ -0.0006918900000000, 0.0008940400000000, 0.0015404700000000 ] - [ 0.0000213600000000, -0.0000123900000000, 0.0001090100000000 ] - [ -0.0028481500000000, 0.0080261500000000, -0.0006713900000000 ] - [ 0.0000252300000000, 0.0002125300000000, -0.0002876300000000 ] - [ -0.0027014600000000, 0.0025091200000000, -0.0027790100000000 ] - [ -0.0011729800000000, 0.0009609700000000, -0.0000251000000000 ] - [ -0.0001446200000000, 0.0001707800000000, -0.0001055100000000 ] - [ 0.0001166100000000, 0.0000539300000000, -0.0001230500000000 ] - [ 0.0000039000000000, -0.0000276900000000, -0.0000783300000000 ] - [ 0.0006923200000000, 0.0004478000000000, -0.0010189500000000 ] - [ -0.0000367400000000, 0.0000256600000000, -0.0002090200000000 ] - [ 0.0000425700000000, -0.0000074600000000, -0.0000109200000000 ] - [ -0.0000741600000000, -0.0000297100000000, -0.0000824600000000 ] - [ 0.0001007300000000, 0.0000229800000000, -0.0000095100000000 ] - [ -0.0000802300000000, 0.0000288600000000, -0.0000679600000000 ] - [ 0.0000495300000000, -0.0000210800000000, -0.0000505500000000 ] - [ -0.0000200600000000, 0.0000225000000000, -0.0000866600000000 ] - [ 0.0001629200000000, 0.0000212600000000, -0.0000409600000000 ] - [ -0.0000290500000000, -0.0000897100000000, 0.0000680000000000 ] - [ -0.0000239400000000, 0.0001001800000000, 0.0000625200000000 ] - [ -0.0002176000000000, -0.0000036000000000, 0.0000102600000000 ] - [ -0.0001016900000000, 0.0000112400000000, 0.0000568000000000 ] - [ 0.0001030900000000, 0.0000073800000000, 0.0000728800000000 ] - [ 0.0001012600000000, -0.0000035900000000, 0.0000813500000000 ] - [ -0.0000992400000000, -0.0000161100000000, 0.0000470500000000 ] - [ 0.0001040600000000, 0.0000148500000000, 0.0000663600000000 ] - [ 0.0001179600000000, -0.0000223700000000, 0.0000743900000000 ] - [ 0.0000772100000000, -0.0000045800000000, -0.0000228000000000 ] - [ 0.0000251800000000, 0.0001051100000000, 0.0000652200000000 ] - [ 0.0000199700000000, -0.0001083300000000, 0.0000600000000000 ] - [ -0.0001680700000000, 0.0000469900000000, 0.0001502200000000 ] - [ -0.0001719200000000, 0.0000215900000000, -0.0001249100000000 ] - [ -0.0001293800000000, -0.0000134100000000, -0.0001189600000000 ] - [ 0.0001053500000000, 0.0000125500000000, 0.0002031900000000 ] - [ 0.0000264200000000, 0.0000024200000000, 0.0000786900000000 ] - [ -0.0000866900000000, 0.0000014700000000, 0.0000082600000000 ] - [ 0.0001202000000000, 0.0006802100000000, -0.0002448800000000 ] - [ 0.0000854200000000, -0.0001647400000000, -0.0001823600000000 ] - [ -0.0000005400000000, -0.0000099500000000, -0.0000594500000000 ] - [ -0.0002325300000000, 0.0011588200000000, -0.0009746300000000 ] - [ -0.0000928800000000, -0.0001132400000000, -0.0001953600000000 ] - [ 0.0001121300000000, -0.0002298900000000, 0.0003354100000000 ] - [ 0.0000716600000000, -0.0001060400000000, -0.0000282100000000 ] - [ -0.0000013400000000, 0.0000069600000000, -0.0000498400000000 ] - [ -0.0000980600000000, -0.0003355800000000, -0.0003035200000000 ] - [ -0.0001363500000000, -0.0002612400000000, 0.0003457500000000 ] - [ 0.0000555800000000, 0.0000161900000000, -0.0001357100000000 ] - [ 0.0000610600000000, -0.0000169100000000, -0.0001285100000000 ] - [ -0.0011812800000000, 0.0008731200000000, 0.0001511700000000 ] - [ -0.0000507400000000, -0.0000438300000000, -0.0001449100000000 ] - [ -0.0000591900000000, 0.0000430500000000, -0.0001356500000000 ] - [ -0.0000597400000000, -0.0000169100000000, 0.0001763500000000 ] - [ 0.0000850300000000, 0.0000016300000000, -0.0000554500000000 ] - [ -0.0000625400000000, -0.0001640600000000, -0.0000429400000000 ] - [ -0.0001227900000000, -0.0000633600000000, 0.0001078400000000 ] - [ -0.0001207400000000, 0.0000653800000000, 0.0001001000000000 ] - [ 0.0000139400000000, 0.0000222600000000, 0.0001387700000000 ] - [ 0.0000808500000000, 0.0001459200000000, -0.0007221600000000 ] - [ 0.0000004400000000, 0.0001411200000000, 0.0003493600000000 ] - [ 0.0000616400000000, -0.0000657900000000, 0.0000116800000000 ] - [ -0.0000531300000000, -0.0000477000000000, -0.0001737900000000 ] - [ 0.0022811300000000, 0.0007114800000000, -0.0012450400000000 ] - [ -0.0009502800000000, 0.0017440600000000, 0.0002933200000000 ] - [ 0.0063846900000000, 0.0150629700000000, 0.0009727900000000 ] - [ -0.0000406100000000, 0.0002398500000000, -0.0000412700000000 ] - [ 0.0049629700000000, 0.0002866900000000, -0.0006760500000000 ] - [ 0.0013840500000000, -0.0003074100000000, 0.0010498700000000 ] - [ 0.0000291500000000, -0.0000430900000000, 0.0001494900000000 ] - [ 0.0001070400000000, -0.0000628700000000, -0.0000702200000000 ] - [ 0.0002078700000000, -0.0000093500000000, 0.0001309200000000 ] - [ -0.0002445800000000, 0.0002784200000000, -0.0000190400000000 ] - [ 0.0000530200000000, -0.0000056800000000, 0.0000349200000000 ] - [ 0.0001151400000000, 0.0000875000000000, 0.0001069500000000 ] - [ 0.0001192100000000, -0.0000972200000000, 0.0001018000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000638900000000, 0.0000049000000000, -0.0000079500000000 ] - [ -0.0001066400000000, -0.0000044600000000, 0.0000860100000000 ] - [ -0.0001142700000000, -0.0000044000000000, 0.0000871700000000 ] - [ 0.0002293700000000, -0.0000010300000000, -0.0000260200000000 ] - [ -0.0000757400000000, -0.0000619200000000, 0.0002137900000000 ] - [ -0.0000113000000000, 0.0000265400000000, -0.0000649200000000 ] - [ 0.0000677400000000, 0.0000387500000000, -0.0000816200000000 ] - [ 0.0001659500000000, -0.0000110300000000, -0.0001715700000000 ] - [ 0.0001385900000000, -0.0000050800000000, -0.0000909100000000 ] - [ -0.0003506400000000, -0.0000407300000000, -0.0016614100000000 ] - [ -0.0000550400000000, -0.0000615300000000, -0.0000011600000000 ] - [ 0.0000724800000000, -0.0000477200000000, -0.0002472200000000 ] - [ 0.0001247700000000, -0.0000001600000000, 0.0006477200000000 ] - [ -0.0000504900000000, 0.0000405900000000, -0.0000830000000000 ] - [ 0.0000165700000000, -0.0000267100000000, -0.0000722000000000 ] - [ 0.0001113700000000, -0.0000294100000000, 0.0000401900000000 ] - [ 0.0095661000000000, 0.0447928800000000, -0.0005288300000000 ] - [ -0.0000350500000000, -0.0003430100000000, 0.0001179100000000 ] - [ -0.0013180600000000, -0.0044982000000000, -0.0004172400000000 ] - [ -0.0032377500000000, -0.0026935200000000, 0.0047112400000000 ] - [ 0.0000702300000000, -0.0001278900000000, 0.0000606200000000 ] - [ 0.0030832400000000, -0.0022478800000000, -0.0041871300000000 ] - [ -0.0001259600000000, -0.0001972600000000, 0.0001267100000000 ] - [ -0.0008369300000000, -0.0009576500000000, -0.0018071400000000 ] - [ -0.0000055100000000, -0.0004293600000000, -0.0003535200000000 ] - [ -0.0013056700000000, -0.0016564300000000, -0.0004383800000000 ] - [ -0.0008283400000000, 0.0013258200000000, -0.0000646200000000 ] - [ 0.0000420500000000, -0.0003773500000000, 0.0000354800000000 ] - [ -0.0000845100000000, -0.0000202600000000, -0.0000370600000000 ] - [ 0.0001084000000000, 0.0000263400000000, -0.0001048900000000 ] - [ 0.0004223900000000, -0.0009552700000000, -0.0018397000000000 ] - [ 0.0000766100000000, 0.0000072000000000, 0.0001162900000000 ] - [ 0.0027265700000000, -0.0082568600000000, 0.0006160200000000 ] - [ -0.0001896800000000, -0.0001307400000000, 0.0003879700000000 ] - [ 0.0025509600000000, -0.0025989100000000, 0.0028936300000000 ] - [ 0.0016244700000000, -0.0009769600000000, 0.0000440900000000 ] - [ 0.0000433600000000, -0.0001707000000000, 0.0003029400000000 ] - [ -0.0000533900000000, -0.0000298400000000, 0.0000111900000000 ] - [ -0.0000123700000000, 0.0000108300000000, -0.0000302000000000 ] - [ -0.0004661200000000, -0.0004232100000000, 0.0007078100000000 ] - [ 0.0002510700000000, -0.0000504300000000, -0.0001076300000000 ] - [ 0.0001110800000000, 0.0000005500000000, -0.0000850100000000 ] - [ -0.0000763200000000, -0.0000022600000000, -0.0000417200000000 ] - [ 0.0000456500000000, 0.0000033600000000, -0.0001075200000000 ] - [ -0.0000757200000000, -0.0000194600000000, -0.0000505500000000 ] - [ -0.0000383400000000, 0.0000677000000000, -0.0000556900000000 ] - [ -0.0000429300000000, -0.0000530800000000, -0.0000233000000000 ] - [ -0.0000015500000000, -0.0000199700000000, 0.0000282400000000 ] - [ -0.0000218600000000, -0.0000906400000000, 0.0000498800000000 ] - [ -0.0000178100000000, 0.0000842400000000, 0.0000690700000000 ] - [ -0.0002207500000000, 0.0000002000000000, -0.0000416200000000 ] - [ -0.0001088500000000, 0.0000024900000000, 0.0000850500000000 ] - [ 0.0001086900000000, 0.0000223400000000, 0.0000844400000000 ] - [ 0.0001110700000000, -0.0000128900000000, 0.0000717000000000 ] - [ -0.0001110700000000, -0.0000117200000000, 0.0001000800000000 ] - [ 0.0001109900000000, -0.0000051900000000, 0.0000873900000000 ] - [ 0.0000963900000000, 0.0000117400000000, 0.0000829000000000 ] - [ 0.0000247300000000, -0.0000005200000000, -0.0000114600000000 ] - [ 0.0000274700000000, 0.0000775200000000, 0.0000534400000000 ] - [ 0.0000246000000000, -0.0000729600000000, 0.0000734600000000 ] - [ 0.0000014800000000, -0.0000362700000000, -0.0001469900000000 ] - [ -0.0001031000000000, 0.0000264300000000, -0.0001826200000000 ] - [ -0.0001357800000000, -0.0000317300000000, -0.0001974000000000 ] - [ -0.0000057700000000, -0.0000034900000000, 0.0000256100000000 ] - [ 0.0000196400000000, -0.0000024800000000, 0.0001085300000000 ] - [ -0.0000856300000000, -0.0000058200000000, -0.0000176400000000 ] - [ -0.0000031000000000, -0.0006198100000000, -0.0000608800000000 ] - [ 0.0000268600000000, 0.0001073800000000, -0.0001117200000000 ] - [ -0.0000012100000000, 0.0000075700000000, -0.0000575800000000 ] - [ 0.0001219800000000, -0.0012294500000000, 0.0006585400000000 ] - [ -0.0000225600000000, 0.0001777300000000, -0.0001026300000000 ] - [ -0.0001619000000000, 0.0002306600000000, -0.0001508000000000 ] - [ 0.0000931600000000, 0.0001042900000000, 0.0000202600000000 ] - [ -0.0000010400000000, -0.0000079700000000, -0.0000593400000000 ] - [ 0.0001457800000000, 0.0003320600000000, 0.0004881800000000 ] - [ -0.0000256100000000, 0.0002574400000000, -0.0003632200000000 ] - [ 0.0000543800000000, 0.0000474200000000, -0.0001556400000000 ] - [ 0.0000564000000000, -0.0000429800000000, -0.0001759100000000 ] - [ 0.0012609800000000, -0.0009013800000000, -0.0002824700000000 ] - [ -0.0000600900000000, -0.0000133900000000, -0.0001523200000000 ] - [ -0.0000601400000000, 0.0000204700000000, -0.0001719300000000 ] - [ 0.0000100800000000, 0.0000132800000000, 0.0000030100000000 ] - [ 0.0000904000000000, -0.0000010500000000, 0.0000618300000000 ] - [ 0.0000537200000000, 0.0001747900000000, -0.0000688200000000 ] - [ -0.0000964200000000, -0.0001607600000000, 0.0000611400000000 ] - [ -0.0000953300000000, 0.0001531600000000, 0.0000788700000000 ] - [ -0.0001826000000000, -0.0000226000000000, 0.0000478700000000 ] - [ -0.0002091900000000, -0.0002068200000000, 0.0007333800000000 ] - [ 0.0001221800000000, -0.0000817700000000, -0.0003468400000000 ] - [ 0.0000506000000000, -0.0000288600000000, 0.0000223300000000 ] - [ -0.0000634800000000, 0.0001430200000000, 0.0001978800000000 ] - [ -0.0020447400000000, -0.0006842800000000, 0.0014005900000000 ] - [ 0.0011861600000000, -0.0014692700000000, -0.0000975700000000 ] - [ -0.0056609900000000, -0.0143055500000000, -0.0007390900000000 ] - [ -0.0001735600000000, -0.0003683200000000, 0.0002770500000000 ] - [ -0.0050144100000000, -0.0005632800000000, 0.0009215500000000 ] - [ -0.0014239500000000, 0.0002860200000000, -0.0007984100000000 ] - [ -0.0001502500000000, -0.0000428100000000, -0.0000901400000000 ] - [ -0.0000053800000000, 0.0001931900000000, 0.0000926300000000 ] - [ -0.0000951000000000, -0.0000588300000000, -0.0001107400000000 ] - [ 0.0001259500000000, -0.0002124600000000, 0.0000395200000000 ] - [ 0.0001823700000000, 0.0000001000000000, 0.0001208900000000 ] - [ 0.0000877700000000, 0.0001936100000000, 0.0000600400000000 ] - [ 0.0000810400000000, -0.0001865200000000, 0.0000697400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000676000000000, -0.0000035300000000, -0.0000375600000000 ] - [ -0.0000738000000000, 0.0000659300000000, 0.0000556200000000 ] - [ -0.0000588000000000, -0.0000675000000000, 0.0000329100000000 ] - [ 0.0001734500000000, 0.0000028200000000, 0.0000475500000000 ] - [ -0.0001288800000000, -0.0000879700000000, 0.0002647400000000 ] - [ 0.0000045100000000, 0.0000131000000000, -0.0000467200000000 ] - [ 0.0000131900000000, -0.0000014100000000, 0.0000318300000000 ] - [ 0.0000840300000000, -0.0000255100000000, -0.0001346400000000 ] - [ 0.0001347700000000, 0.0000028800000000, -0.0001161200000000 ] - [ 0.0007239100000000, 0.0003214200000000, 0.0015204400000000 ] - [ -0.0000654000000000, -0.0000301700000000, -0.0000406700000000 ] - [ 0.0000708700000000, 0.0000422700000000, -0.0000229900000000 ] - [ 0.0003717600000000, -0.0001681100000000, 0.0010105100000000 ] - [ 0.0001901200000000, 0.0000060500000000, 0.0002388800000000 ] - [ -0.0000145300000000, 0.0000057000000000, -0.0000470200000000 ] - [ 0.0001613700000000, -0.0000517300000000, 0.0000719700000000 ] - [ 0.0121140000000000, 0.0004715800000000, -0.0383601000000000 ] - [ -0.0000330600000000, 0.0001549200000000, 0.0000027600000000 ] - [ -0.0006396400000000, -0.0004363400000000, -0.0003159500000000 ] - [ -0.0047281800000000, -0.0054100300000000, 0.0054427900000000 ] - [ 0.0001454300000000, 0.0001432400000000, -0.0000501200000000 ] - [ -0.0043363400000000, 0.0043597400000000, 0.0045849600000000 ] - [ -0.0000302700000000, -0.0002606900000000, -0.0001236000000000 ] - [ 0.0018400700000000, 0.0031277200000000, 0.0017748400000000 ] - [ 0.0000612700000000, 0.0004648800000000, 0.0002965300000000 ] - [ 0.0002122400000000, 0.0002508800000000, -0.0009665100000000 ] - [ -0.0003182000000000, -0.0000492900000000, -0.0009605500000000 ] - [ 0.0000057900000000, -0.0000455400000000, 0.0000593600000000 ] - [ -0.0001273400000000, 0.0001072700000000, 0.0001498000000000 ] - [ -0.0001501100000000, 0.0001990900000000, -0.0002496300000000 ] - [ -0.0013953200000000, 0.0018685500000000, 0.0017807100000000 ] - [ 0.0000437400000000, 0.0000108600000000, 0.0001765500000000 ] - [ -0.0000361500000000, 0.0000327000000000, -0.0002228100000000 ] - [ -0.0000608400000000, 0.0000610000000000, -0.0000062000000000 ] - [ 0.0041357700000000, -0.0044784200000000, 0.0029273900000000 ] - [ 0.0005882700000000, -0.0004209800000000, -0.0005502400000000 ] - [ 0.0000028800000000, -0.0001244600000000, 0.0001626200000000 ] - [ -0.0000386700000000, -0.0000043400000000, -0.0000492400000000 ] - [ 0.0000254600000000, -0.0000087200000000, -0.0000556600000000 ] - [ -0.0007430700000000, -0.0005620400000000, 0.0002710400000000 ] - [ 0.0001974800000000, -0.0000687000000000, -0.0002373100000000 ] - [ 0.0000666400000000, 0.0000053100000000, -0.0000276000000000 ] - [ -0.0000731800000000, -0.0000247700000000, -0.0000329600000000 ] - [ 0.0000630800000000, 0.0000248900000000, -0.0000092200000000 ] - [ -0.0000708900000000, -0.0000051100000000, -0.0000378300000000 ] - [ -0.0000228100000000, 0.0000117500000000, -0.0000643600000000 ] - [ -0.0000759700000000, 0.0000596200000000, -0.0000638400000000 ] - [ 0.0000916900000000, -0.0000264000000000, 0.0000226200000000 ] - [ -0.0000129900000000, -0.0000951200000000, 0.0000802200000000 ] - [ -0.0000192200000000, 0.0001143400000000, 0.0000867700000000 ] - [ -0.0002395800000000, -0.0000089800000000, -0.0000350800000000 ] - [ -0.0001048100000000, 0.0000007500000000, 0.0001051900000000 ] - [ 0.0001069900000000, 0.0000206700000000, 0.0001696800000000 ] - [ 0.0001037000000000, -0.0000022500000000, 0.0001424200000000 ] - [ -0.0001052800000000, -0.0000164200000000, 0.0001168300000000 ] - [ 0.0001384600000000, -0.0000350200000000, 0.0001181500000000 ] - [ 0.0001456900000000, 0.0000349900000000, 0.0001415400000000 ] - [ 0.0000478300000000, -0.0000082300000000, 0.0000003400000000 ] - [ 0.0000199500000000, 0.0000847400000000, 0.0000872900000000 ] - [ 0.0000261800000000, -0.0000841000000000, 0.0000950300000000 ] - [ -0.0001792400000000, 0.0000856900000000, 0.0001509500000000 ] - [ -0.0001821600000000, 0.0000459200000000, -0.0001069600000000 ] - [ -0.0001464600000000, -0.0000208900000000, -0.0001147200000000 ] - [ 0.0001017100000000, 0.0000396500000000, 0.0002295400000000 ] - [ 0.0000303700000000, -0.0000091300000000, 0.0000125100000000 ] - [ -0.0000777100000000, 0.0000002100000000, -0.0000685900000000 ] - [ 0.0002806300000000, 0.0000408400000000, -0.0000867400000000 ] - [ 0.0000954000000000, -0.0000391400000000, -0.0001192800000000 ] - [ -0.0000110400000000, -0.0000102700000000, -0.0000811500000000 ] - [ 0.0006128300000000, -0.0002484800000000, 0.0056540800000000 ] - [ -0.0001076500000000, 0.0000226300000000, -0.0001264600000000 ] - [ -0.0002340500000000, 0.0004333700000000, -0.0003518300000000 ] - [ 0.0000073500000000, -0.0002444600000000, 0.0000695100000000 ] - [ -0.0000129200000000, 0.0000115600000000, -0.0000788600000000 ] - [ -0.0001294500000000, -0.0003709300000000, -0.0002755200000000 ] - [ -0.0000895400000000, 0.0001783700000000, 0.0000085700000000 ] - [ 0.0000646100000000, 0.0000269100000000, -0.0001709700000000 ] - [ 0.0000509300000000, -0.0000124300000000, -0.0001806300000000 ] - [ -0.0091623400000000, 0.0001282200000000, 0.0033836200000000 ] - [ -0.0000704400000000, -0.0000342600000000, -0.0001743700000000 ] - [ -0.0000587000000000, 0.0000434300000000, -0.0001896800000000 ] - [ -0.0000190700000000, 0.0000077800000000, 0.0000277400000000 ] - [ 0.0000844300000000, -0.0000041400000000, -0.0000527100000000 ] - [ -0.0000034600000000, -0.0000127200000000, -0.0000124500000000 ] - [ -0.0001384900000000, 0.0000053000000000, 0.0000556500000000 ] - [ -0.0001490600000000, -0.0000021700000000, 0.0000698300000000 ] - [ 0.0000158600000000, -0.0000051800000000, 0.0000486300000000 ] - [ -0.0000623900000000, 0.0000776100000000, -0.0005843600000000 ] - [ -0.0000236700000000, -0.0000236600000000, -0.0005726900000000 ] - [ 0.0000297400000000, 0.0000766100000000, -0.0000333600000000 ] - [ -0.0000218500000000, -0.0000906400000000, -0.0000502600000000 ] - [ 0.0003158900000000, 0.0004908700000000, 0.0014644100000000 ] - [ -0.0001557800000000, -0.0005459400000000, 0.0004659100000000 ] - [ 0.0012257200000000, -0.0003205400000000, 0.0057559900000000 ] - [ -0.0000380400000000, -0.0001333700000000, -0.0000472400000000 ] - [ -0.0003120100000000, 0.0006770300000000, 0.0070160600000000 ] - [ -0.0003228800000000, 0.0002309300000000, 0.0003931700000000 ] - [ -0.0000250000000000, -0.0000863600000000, 0.0000603500000000 ] - [ 0.0000282200000000, 0.0000816400000000, 0.0000075500000000 ] - [ -0.0000641200000000, -0.0001802100000000, -0.0001752600000000 ] - [ 0.0001436200000000, 0.0002709200000000, -0.0004332500000000 ] - [ 0.0001808400000000, -0.0000288800000000, -0.0000276100000000 ] - [ 0.0000949800000000, 0.0001869900000000, 0.0000050800000000 ] - [ 0.0000947500000000, -0.0001964800000000, 0.0000304400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000181100000000, 0.0000037400000000, 0.0000085100000000 ] - [ -0.0001102000000000, -0.0000346500000000, 0.0000697100000000 ] - [ -0.0001287700000000, 0.0000361500000000, 0.0000919700000000 ] - [ 0.0002313100000000, -0.0000020300000000, -0.0000470500000000 ] - [ 0.0000367700000000, 0.0000721700000000, -0.0000493300000000 ] - [ 0.0000691400000000, 0.0000211500000000, -0.0000604900000000 ] - [ 0.0000905400000000, -0.0000200900000000, -0.0001294000000000 ] - [ 0.0001658500000000, 0.0000641600000000, -0.0001749000000000 ] - [ 0.0001247100000000, -0.0000473200000000, -0.0001733300000000 ] - [ -0.0005849900000000, -0.0003307900000000, -0.0016523400000000 ] - [ -0.0000810200000000, 0.0000094100000000, -0.0000781100000000 ] - [ 0.0000765000000000, -0.0000258300000000, -0.0001008500000000 ] - [ -0.0005190300000000, 0.0001729300000000, -0.0011450400000000 ] - [ -0.0002920000000000, 0.0000220700000000, -0.0003388900000000 ] - [ -0.0000605000000000, -0.0000241300000000, -0.0000602400000000 ] - [ -0.0000020300000000, 0.0000336400000000, -0.0000709500000000 ] - [ -0.0121222000000000, -0.0006065900000000, 0.0390890800000000 ] - [ -0.0000293800000000, 0.0000259800000000, 0.0001316300000000 ] - [ 0.0002226800000000, 0.0004306200000000, 0.0003311900000000 ] - [ 0.0045971700000000, 0.0055147900000000, -0.0053933500000000 ] - [ 0.0000649900000000, -0.0001207500000000, 0.0001856800000000 ] - [ 0.0046285500000000, -0.0044512400000000, -0.0045406300000000 ] - [ -0.0001845400000000, 0.0002376700000000, 0.0002799200000000 ] - [ -0.0016234900000000, -0.0030024300000000, -0.0016143700000000 ] - [ 0.0001065000000000, -0.0005211800000000, -0.0001832500000000 ] - [ -0.0000630200000000, -0.0002576000000000, 0.0009076600000000 ] - [ 0.0003273300000000, 0.0002255100000000, 0.0010796800000000 ] - [ 0.0000490100000000, -0.0001371200000000, 0.0000677200000000 ] - [ -0.0000612600000000, -0.0001065200000000, -0.0001492500000000 ] - [ -0.0000696700000000, -0.0001646200000000, -0.0000882700000000 ] - [ 0.0011393000000000, -0.0018650000000000, -0.0020717000000000 ] - [ 0.0000728800000000, -0.0000093700000000, 0.0000257200000000 ] - [ -0.0000795300000000, -0.0000225500000000, 0.0002104200000000 ] - [ -0.0001777700000000, -0.0000852500000000, 0.0001942700000000 ] - [ -0.0043017400000000, 0.0044166200000000, -0.0026865800000000 ] - [ -0.0001195700000000, 0.0004241600000000, 0.0004924100000000 ] - [ -0.0001050700000000, 0.0001059400000000, 0.0000699500000000 ] - [ 0.0000576100000000, 0.0000383000000000, -0.0000580400000000 ] - [ 0.0000043900000000, -0.0000027200000000, -0.0000477500000000 ] - [ 0.0010129700000000, 0.0006079700000000, -0.0005990000000000 ] - [ 0.0000886200000000, 0.0000058800000000, -0.0000701700000000 ] - [ 0.0000863700000000, -0.0000102700000000, -0.0000619600000000 ] - [ -0.0000757400000000, -0.0000038100000000, -0.0000607000000000 ] - [ 0.0000861600000000, -0.0000044200000000, -0.0000942600000000 ] - [ -0.0000755400000000, 0.0000091100000000, -0.0000707600000000 ] - [ -0.0000052100000000, 0.0000371500000000, -0.0000382200000000 ] - [ 0.0000507000000000, -0.0000851500000000, -0.0000473900000000 ] - [ 0.0000816900000000, 0.0000028700000000, -0.0000290900000000 ] - [ -0.0000290500000000, -0.0000821200000000, 0.0000498700000000 ] - [ -0.0000259500000000, 0.0000747800000000, 0.0000578600000000 ] - [ -0.0001966900000000, 0.0000000700000000, 0.0000169400000000 ] - [ -0.0001084300000000, 0.0000119400000000, 0.0000518800000000 ] - [ 0.0001062300000000, 0.0000078700000000, 0.0000037300000000 ] - [ 0.0001086900000000, -0.0000110300000000, 0.0000219100000000 ] - [ -0.0001064300000000, -0.0000102700000000, 0.0000354800000000 ] - [ 0.0000668900000000, 0.0000531300000000, 0.0000243200000000 ] - [ 0.0000578200000000, -0.0000526200000000, 0.0000165500000000 ] - [ 0.0000698200000000, -0.0000027900000000, -0.0000246500000000 ] - [ 0.0000214000000000, 0.0000879900000000, 0.0000448200000000 ] - [ 0.0000189500000000, -0.0000822900000000, 0.0000522000000000 ] - [ 0.0000179400000000, -0.0000812900000000, -0.0001504200000000 ] - [ -0.0000716700000000, 0.0000103400000000, -0.0001884800000000 ] - [ -0.0001085500000000, -0.0000311500000000, -0.0001796700000000 ] - [ -0.0000049200000000, -0.0000332700000000, -0.0000060400000000 ] - [ 0.0000175100000000, 0.0000068500000000, 0.0001691800000000 ] - [ -0.0000957300000000, -0.0000059900000000, 0.0000704600000000 ] - [ -0.0001507800000000, 0.0000279800000000, -0.0002246300000000 ] - [ 0.0000272300000000, -0.0000217800000000, -0.0001829700000000 ] - [ 0.0000142300000000, 0.0000109100000000, -0.0000309700000000 ] - [ -0.0007942200000000, 0.0002078600000000, -0.0064051000000000 ] - [ -0.0000119800000000, 0.0000408100000000, -0.0001748000000000 ] - [ 0.0001876000000000, -0.0004385200000000, 0.0005409400000000 ] - [ 0.0001552800000000, 0.0002391300000000, -0.0000826700000000 ] - [ 0.0000132200000000, -0.0000113800000000, -0.0000278400000000 ] - [ 0.0001816200000000, 0.0003720100000000, 0.0004575600000000 ] - [ -0.0000874600000000, -0.0001868100000000, 0.0000054500000000 ] - [ 0.0000573400000000, 0.0000427300000000, -0.0001303200000000 ] - [ 0.0000658100000000, -0.0000453100000000, -0.0001202500000000 ] - [ 0.0091037800000000, -0.0001143600000000, -0.0035673000000000 ] - [ -0.0000482600000000, -0.0000188800000000, -0.0001298800000000 ] - [ -0.0000579100000000, 0.0000207700000000, -0.0001136400000000 ] - [ -0.0000299400000000, -0.0000115200000000, 0.0001580900000000 ] - [ 0.0000923000000000, 0.0000024000000000, 0.0000609500000000 ] - [ 0.0000165200000000, 0.0000014000000000, -0.0000976400000000 ] - [ -0.0000806000000000, -0.0002466800000000, 0.0001202500000000 ] - [ -0.0000708300000000, 0.0002291900000000, 0.0001169000000000 ] - [ -0.0002200800000000, -0.0000036500000000, 0.0001224500000000 ] - [ -0.0000565800000000, -0.0001077500000000, 0.0005944600000000 ] - [ 0.0001367600000000, 0.0000462400000000, 0.0005801500000000 ] - [ 0.0000878900000000, -0.0001248000000000, 0.0000558500000000 ] - [ -0.0000907400000000, 0.0001571500000000, 0.0000557300000000 ] - [ -0.0002319100000000, -0.0004978100000000, -0.0012237500000000 ] - [ 0.0004018200000000, 0.0006933100000000, -0.0002636700000000 ] - [ -0.0010984900000000, 0.0001038100000000, -0.0055943700000000 ] - [ -0.0001501900000000, -0.0002029300000000, 0.0002043600000000 ] - [ 0.0001015300000000, -0.0003551800000000, -0.0068862800000000 ] - [ 0.0000167500000000, -0.0002401300000000, -0.0002617900000000 ] - [ -0.0000988300000000, 0.0000487100000000, -0.0000359500000000 ] - [ 0.0000954300000000, -0.0000072200000000, 0.0000102400000000 ] - [ 0.0001898400000000, 0.0001265000000000, 0.0002143800000000 ] - [ -0.0002499500000000, -0.0001841600000000, 0.0004279800000000 ] - [ 0.0000232000000000, 0.0000236500000000, 0.0002051900000000 ] - [ 0.0001205400000000, 0.0000582200000000, 0.0001674600000000 ] - [ 0.0001209000000000, -0.0000706300000000, 0.0001396200000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000601100000000, -0.0000014300000000, -0.0000255600000000 ] - [ -0.0000800700000000, 0.0000558300000000, 0.0000401800000000 ] - [ -0.0000731800000000, -0.0000381300000000, 0.0000452300000000 ] - [ 0.0001868500000000, 0.0000041900000000, 0.0000195300000000 ] - [ 0.0001915600000000, 0.0001512100000000, -0.0003262900000000 ] - [ 0.0000149200000000, 0.0000141400000000, -0.0000498900000000 ] - [ 0.0008224800000000, -0.0001885700000000, -0.0003737300000000 ] - [ 0.0001437200000000, 0.0000036300000000, -0.0001587900000000 ] - [ 0.0001925500000000, 0.0000001800000000, -0.0001565300000000 ] - [ 0.0006834500000000, 0.0000847500000000, -0.0000455200000000 ] - [ -0.0000328300000000, -0.0000266900000000, -0.0000343800000000 ] - [ 0.0000682400000000, 0.0000121500000000, -0.0000498000000000 ] - [ 0.0060358500000000, -0.0000265200000000, -0.0000805600000000 ] - [ 0.0008055700000000, 0.0003148200000000, 0.0005877600000000 ] - [ 0.0000116200000000, -0.0000108000000000, -0.0000505100000000 ] - [ 0.0004313500000000, -0.0001562500000000, 0.0003506800000000 ] - [ 0.0017409000000000, 0.0030444300000000, -0.0045753200000000 ] - [ -0.0000367200000000, 0.0000586000000000, 0.0001406700000000 ] - [ 0.0006888800000000, -0.0012760800000000, -0.0039229800000000 ] - [ -0.0273475400000000, -0.0009221000000000, 0.0008565300000000 ] - [ 0.0001150400000000, -0.0000294100000000, 0.0000816500000000 ] - [ -0.0006842200000000, -0.0005008900000000, 0.0001563400000000 ] - [ -0.0010949700000000, -0.0000813800000000, 0.0003061600000000 ] - [ -0.0011451500000000, 0.0002396000000000, -0.0012466300000000 ] - [ -0.0000716500000000, 0.0001157000000000, 0.0000874700000000 ] - [ 0.0006009400000000, 0.0016077500000000, 0.0029967100000000 ] - [ 0.0017693600000000, -0.0028856800000000, 0.0045713600000000 ] - [ -0.0000193300000000, -0.0001342100000000, 0.0000213200000000 ] - [ -0.0001276700000000, -0.0000263200000000, -0.0000222100000000 ] - [ -0.0001605600000000, 0.0000035500000000, -0.0002720700000000 ] - [ -0.0000165400000000, -0.0000234400000000, -0.0001853600000000 ] - [ 0.0000560100000000, 0.0000821300000000, -0.0000103100000000 ] - [ -0.0001515700000000, -0.0000089800000000, -0.0000312500000000 ] - [ -0.0001383800000000, -0.0000559700000000, 0.0001224500000000 ] - [ -0.0001911500000000, 0.0000413800000000, 0.0001004200000000 ] - [ 0.0001701200000000, 0.0000315300000000, -0.0000064400000000 ] - [ -0.0000547500000000, 0.0000170100000000, 0.0001214500000000 ] - [ -0.0000114900000000, 0.0000572000000000, -0.0000714900000000 ] - [ 0.0000001100000000, -0.0000315800000000, -0.0000578800000000 ] - [ 0.0002297100000000, 0.0000136700000000, -0.0000850500000000 ] - [ 0.0001309300000000, -0.0000492700000000, -0.0001664700000000 ] - [ 0.0000636000000000, -0.0000157700000000, -0.0000313500000000 ] - [ -0.0000767800000000, -0.0000018400000000, -0.0000531500000000 ] - [ 0.0000825500000000, 0.0000145200000000, -0.0000624700000000 ] - [ -0.0000769200000000, 0.0000119700000000, -0.0000496500000000 ] - [ -0.0000004900000000, 0.0000165900000000, -0.0000500700000000 ] - [ -0.0000055900000000, -0.0000162700000000, -0.0000435700000000 ] - [ 0.0000945000000000, 0.0000081800000000, 0.0000132800000000 ] - [ -0.0000189800000000, -0.0000874000000000, 0.0000713600000000 ] - [ -0.0000295000000000, 0.0000905300000000, 0.0000683100000000 ] - [ -0.0002141900000000, -0.0000021500000000, -0.0000124100000000 ] - [ -0.0001039000000000, 0.0000158100000000, 0.0000849700000000 ] - [ 0.0001051100000000, 0.0000129800000000, 0.0000670600000000 ] - [ 0.0001082700000000, -0.0000156700000000, 0.0000784200000000 ] - [ -0.0001081600000000, -0.0000054300000000, 0.0000711100000000 ] - [ 0.0001011000000000, 0.0000137600000000, 0.0000720500000000 ] - [ 0.0001030700000000, -0.0000159100000000, 0.0000654700000000 ] - [ 0.0000630700000000, -0.0000049100000000, -0.0000094300000000 ] - [ 0.0000221600000000, 0.0000841900000000, 0.0000756600000000 ] - [ 0.0000304100000000, -0.0000856300000000, 0.0000708200000000 ] - [ -0.0000814500000000, 0.0000062000000000, 0.0000028000000000 ] - [ -0.0000900800000000, 0.0000273900000000, -0.0001341700000000 ] - [ -0.0001301900000000, -0.0000090000000000, -0.0001635700000000 ] - [ 0.0000468300000000, 0.0000155800000000, 0.0000939300000000 ] - [ 0.0000262200000000, 0.0000138600000000, 0.0001258700000000 ] - [ -0.0000580300000000, -0.0000035600000000, -0.0001026800000000 ] - [ 0.0018343900000000, -0.0010422500000000, -0.0000276700000000 ] - [ 0.0001036500000000, -0.0000090200000000, -0.0001605800000000 ] - [ 0.0000004900000000, -0.0000058500000000, -0.0000583000000000 ] - [ 0.0052142200000000, 0.0042456100000000, 0.0000421300000000 ] - [ -0.0000407400000000, 0.0000419300000000, -0.0001422600000000 ] - [ 0.0000896700000000, -0.0009708300000000, 0.0007920500000000 ] - [ 0.0000872400000000, 0.0001137900000000, -0.0002786000000000 ] - [ -0.0000024600000000, 0.0000073300000000, -0.0000562200000000 ] - [ 0.0000081100000000, 0.0000269800000000, 0.0001136400000000 ] - [ -0.0000962400000000, -0.0000249100000000, 0.0000369000000000 ] - [ 0.0000592300000000, 0.0000318100000000, -0.0001442000000000 ] - [ 0.0000573200000000, -0.0000323700000000, -0.0001407900000000 ] - [ -0.0006938500000000, 0.0000081500000000, -0.0000420000000000 ] - [ -0.0000573300000000, -0.0000297400000000, -0.0001499000000000 ] - [ -0.0000579700000000, 0.0000283300000000, -0.0001440200000000 ] - [ -0.0000292300000000, -0.0000037100000000, 0.0000949500000000 ] - [ 0.0000818400000000, 0.0000025900000000, 0.0000093900000000 ] - [ -0.0000192400000000, -0.0000119400000000, -0.0000355400000000 ] - [ -0.0001153600000000, -0.0000634000000000, 0.0001054800000000 ] - [ -0.0001119400000000, 0.0000344700000000, 0.0001298100000000 ] - [ 0.0000003000000000, 0.0000328100000000, 0.0002713500000000 ] - [ -0.0006190000000000, -0.0000606600000000, -0.0000024800000000 ] - [ -0.0005859000000000, -0.0000531000000000, 0.0000007500000000 ] - [ -0.0001317700000000, -0.0000169900000000, -0.0000374900000000 ] - [ -0.0000568900000000, 0.0000580200000000, 0.0000249100000000 ] - [ -0.0007019600000000, 0.0001711100000000, -0.0000842500000000 ] - [ 0.0007867100000000, 0.0004399700000000, 0.0006563300000000 ] - [ 0.0107008000000000, -0.0026000000000000, -0.0000406000000000 ] - [ -0.0000630000000000, -0.0001892000000000, 0.0000979300000000 ] - [ 0.0007101200000000, 0.0003877500000000, 0.0000047500000000 ] - [ -0.0001604100000000, -0.0000090000000000, 0.0000185300000000 ] - [ -0.0000367800000000, -0.0000236300000000, 0.0000202600000000 ] - [ 0.0000716000000000, 0.0000649100000000, 0.0000045000000000 ] - [ 0.0001013000000000, -0.0001196600000000, -0.0000354700000000 ] - [ -0.0001015400000000, 0.0000137700000000, 0.0000414500000000 ] - [ 0.0001150300000000, -0.0000110400000000, 0.0001020700000000 ] - [ 0.0001160700000000, 0.0001332300000000, 0.0000691400000000 ] - [ 0.0000986300000000, -0.0001130800000000, 0.0000945800000000 ]- atom: 20 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000614600000000, 0.0000034700000000, -0.0000277500000000 ] - [ -0.0000679500000000, 0.0000316400000000, 0.0000490900000000 ] - [ -0.0000757500000000, -0.0000486600000000, 0.0000419400000000 ] - [ 0.0001904000000000, -0.0000017800000000, 0.0000301700000000 ] - [ -0.0003008300000000, -0.0001578200000000, 0.0005118200000000 ] - [ -0.0000066900000000, 0.0000188400000000, -0.0000609600000000 ] - [ -0.0007567800000000, 0.0001589900000000, 0.0002557100000000 ] - [ 0.0000707300000000, 0.0000158700000000, -0.0001794000000000 ] - [ 0.0000293400000000, -0.0000265600000000, -0.0001641400000000 ] - [ -0.0005391000000000, -0.0000943400000000, -0.0000847100000000 ] - [ -0.0001154100000000, 0.0000118200000000, -0.0000673900000000 ] - [ 0.0000786600000000, -0.0000069800000000, -0.0000648500000000 ] - [ -0.0061768600000000, 0.0000273700000000, -0.0000768600000000 ] - [ -0.0008584500000000, -0.0002865100000000, -0.0007019500000000 ] - [ -0.0000177600000000, -0.0000162000000000, -0.0000567800000000 ] - [ -0.0002583700000000, 0.0001453700000000, -0.0003657600000000 ] - [ -0.0017892000000000, -0.0032436700000000, 0.0047488800000000 ] - [ -0.0000224400000000, 0.0001077400000000, -0.0000111800000000 ] - [ -0.0011161600000000, 0.0013108200000000, 0.0040031300000000 ] - [ 0.0271833300000000, 0.0014613800000000, -0.0008131200000000 ] - [ 0.0000982400000000, 0.0000381600000000, 0.0000551200000000 ] - [ 0.0008948900000000, 0.0005181500000000, -0.0000178500000000 ] - [ 0.0008765300000000, 0.0000270300000000, -0.0001581800000000 ] - [ 0.0013260100000000, -0.0001891200000000, 0.0013517200000000 ] - [ 0.0002538700000000, -0.0001657200000000, 0.0000330500000000 ] - [ -0.0004594700000000, -0.0015754300000000, -0.0029892600000000 ] - [ -0.0017191900000000, 0.0030394500000000, -0.0043937900000000 ] - [ 0.0000738800000000, -0.0000571800000000, 0.0001055900000000 ] - [ -0.0000486500000000, 0.0000166900000000, 0.0000195400000000 ] - [ -0.0000838500000000, 0.0000247900000000, -0.0000611400000000 ] - [ -0.0002203700000000, -0.0000113300000000, -0.0001328400000000 ] - [ 0.0000570400000000, -0.0000937200000000, 0.0002168400000000 ] - [ 0.0000343700000000, 0.0000101100000000, 0.0000040800000000 ] - [ -0.0000795600000000, 0.0000533400000000, 0.0000409100000000 ] - [ -0.0000242200000000, -0.0000409200000000, 0.0000576800000000 ] - [ 0.0002594700000000, -0.0000286800000000, -0.0000169800000000 ] - [ -0.0000489500000000, -0.0000107000000000, 0.0001059600000000 ] - [ 0.0000461100000000, -0.0000208700000000, -0.0000336700000000 ] - [ -0.0000005200000000, -0.0000005100000000, -0.0000456900000000 ] - [ 0.0000387700000000, 0.0000468900000000, -0.0002276700000000 ] - [ 0.0001387400000000, -0.0000080500000000, -0.0001600200000000 ] - [ 0.0000863100000000, -0.0000030800000000, -0.0000631400000000 ] - [ -0.0000708400000000, -0.0000039300000000, -0.0000539800000000 ] - [ 0.0000660700000000, 0.0000015300000000, -0.0000465300000000 ] - [ -0.0000726500000000, -0.0000034300000000, -0.0000489400000000 ] - [ -0.0000024100000000, 0.0000144900000000, -0.0000544300000000 ] - [ -0.0000344100000000, -0.0000079000000000, -0.0000621900000000 ] - [ 0.0000733900000000, -0.0000030600000000, -0.0000155800000000 ] - [ -0.0000297200000000, -0.0001099000000000, 0.0000629500000000 ] - [ -0.0000191300000000, 0.0001012700000000, 0.0000692500000000 ] - [ -0.0002267500000000, 0.0000052500000000, -0.0000142500000000 ] - [ -0.0001104800000000, -0.0000015600000000, 0.0000652400000000 ] - [ 0.0001093800000000, 0.0000129800000000, 0.0001046300000000 ] - [ 0.0001053900000000, -0.0000121000000000, 0.0000956500000000 ] - [ -0.0001061300000000, -0.0000073900000000, 0.0000809900000000 ] - [ 0.0001185300000000, -0.0000120100000000, 0.0000912100000000 ] - [ 0.0001133400000000, 0.0000154700000000, 0.0000943300000000 ] - [ 0.0000579300000000, 0.0000080400000000, -0.0000113900000000 ] - [ 0.0000354000000000, 0.0000826200000000, 0.0000663800000000 ] - [ 0.0000235900000000, -0.0000873700000000, 0.0000727000000000 ] - [ -0.0000846100000000, 0.0000030400000000, -0.0000114800000000 ] - [ -0.0001796100000000, 0.0000335100000000, -0.0001800600000000 ] - [ -0.0001402700000000, -0.0000463100000000, -0.0001616600000000 ] - [ 0.0000526300000000, -0.0000070700000000, 0.0001244600000000 ] - [ 0.0000203500000000, -0.0000145300000000, 0.0000606100000000 ] - [ -0.0001049100000000, 0.0000019700000000, 0.0000851800000000 ] - [ -0.0015966900000000, 0.0009807400000000, -0.0002864900000000 ] - [ 0.0000160500000000, -0.0000532000000000, -0.0001393000000000 ] - [ -0.0000079900000000, -0.0000062200000000, -0.0000570700000000 ] - [ -0.0055368400000000, -0.0045504200000000, -0.0003738700000000 ] - [ -0.0000775000000000, 0.0000188200000000, -0.0001574100000000 ] - [ -0.0001183300000000, 0.0008734000000000, -0.0005413800000000 ] - [ 0.0000796600000000, -0.0001131300000000, 0.0002676100000000 ] - [ -0.0000044000000000, 0.0000024200000000, -0.0000561100000000 ] - [ 0.0000399000000000, -0.0000263700000000, 0.0000672700000000 ] - [ -0.0000750300000000, 0.0000258800000000, -0.0000325600000000 ] - [ 0.0000538800000000, 0.0000271500000000, -0.0001481300000000 ] - [ 0.0000568100000000, -0.0000255400000000, -0.0001565700000000 ] - [ 0.0006980200000000, -0.0000049300000000, -0.0000690700000000 ] - [ -0.0000576600000000, -0.0000334200000000, -0.0001492900000000 ] - [ -0.0000579400000000, 0.0000362200000000, -0.0001557600000000 ] - [ -0.0000200100000000, 0.0000030200000000, 0.0000879800000000 ] - [ 0.0000903600000000, -0.0000010800000000, -0.0000061300000000 ] - [ 0.0000254900000000, 0.0000058200000000, -0.0000794800000000 ] - [ -0.0001155800000000, -0.0000602200000000, 0.0001033900000000 ] - [ -0.0001171300000000, 0.0000877800000000, 0.0000878100000000 ] - [ -0.0000727600000000, -0.0000271100000000, -0.0000283700000000 ] - [ 0.0004954400000000, -0.0000191200000000, 0.0000269300000000 ] - [ 0.0007012200000000, 0.0001155000000000, 0.0000204100000000 ] - [ 0.0002424300000000, -0.0000678900000000, 0.0000417000000000 ] - [ -0.0000588500000000, 0.0000334500000000, -0.0000005100000000 ] - [ 0.0008549800000000, -0.0001635300000000, 0.0002821400000000 ] - [ -0.0005729800000000, -0.0002545300000000, -0.0004609600000000 ] - [ -0.0105023500000000, 0.0023658800000000, 0.0001651000000000 ] - [ -0.0001366900000000, -0.0000744700000000, 0.0000828400000000 ] - [ -0.0009068400000000, -0.0000998600000000, 0.0001746700000000 ] - [ -0.0000833500000000, 0.0000119300000000, 0.0001376700000000 ] - [ -0.0000793500000000, -0.0000667400000000, 0.0000004600000000 ] - [ 0.0000381800000000, 0.0000366100000000, 0.0000115500000000 ] - [ 0.0000118200000000, 0.0000286200000000, 0.0000587500000000 ] - [ -0.0000152200000000, 0.0000522200000000, -0.0000233200000000 ] - [ 0.0001281300000000, 0.0000126000000000, 0.0000566200000000 ] - [ 0.0000915900000000, 0.0001532800000000, 0.0001018700000000 ] - [ 0.0001067600000000, -0.0001672700000000, 0.0000777800000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000411700000000, 0.0000036900000000, -0.0000179400000000 ] - [ -0.0000779300000000, 0.0000370400000000, 0.0000454200000000 ] - [ -0.0000601500000000, -0.0000450600000000, 0.0000150100000000 ] - [ 0.0001943400000000, 0.0000081000000000, -0.0000002500000000 ] - [ 0.0002460500000000, -0.0000283600000000, -0.0003433400000000 ] - [ 0.0000198900000000, 0.0000280700000000, -0.0000882800000000 ] - [ -0.0004452700000000, 0.0001584600000000, 0.0003504800000000 ] - [ 0.0000829500000000, 0.0000513200000000, -0.0002509900000000 ] - [ 0.0001497500000000, -0.0000967100000000, -0.0002010000000000 ] - [ 0.0001827700000000, 0.0002283300000000, 0.0004815100000000 ] - [ -0.0000929900000000, 0.0000359500000000, -0.0002922500000000 ] - [ 0.0000666500000000, 0.0001111600000000, -0.0000673400000000 ] - [ -0.0000541500000000, -0.0004201400000000, 0.0002816000000000 ] - [ 0.0007815900000000, 0.0004067200000000, 0.0008157500000000 ] - [ -0.0000551200000000, -0.0000099300000000, -0.0000815500000000 ] - [ -0.0003939700000000, 0.0000401700000000, -0.0004345900000000 ] - [ 0.0030767300000000, 0.0026011200000000, -0.0053673900000000 ] - [ -0.0000913800000000, 0.0002685300000000, 0.0003214800000000 ] - [ -0.0013642300000000, 0.0009271900000000, 0.0027421700000000 ] - [ -0.0012298500000000, -0.0535405800000000, 0.0107184800000000 ] - [ 0.0001379900000000, 0.0008095100000000, -0.0000123900000000 ] - [ -0.0003967800000000, 0.0089778800000000, -0.0011124500000000 ] - [ -0.0000539300000000, 0.0090893400000000, 0.0021035700000000 ] - [ 0.0002432400000000, -0.0011247800000000, 0.0020125100000000 ] - [ 0.0001379100000000, 0.0002521400000000, 0.0003340200000000 ] - [ 0.0003943400000000, 0.0011563100000000, 0.0023713300000000 ] - [ -0.0024045900000000, 0.0023336800000000, -0.0043248600000000 ] - [ 0.0000587000000000, 0.0000581700000000, 0.0001947200000000 ] - [ -0.0000637000000000, 0.0000084700000000, -0.0000259900000000 ] - [ -0.0002483200000000, 0.0000241300000000, -0.0001019100000000 ] - [ -0.0002050200000000, -0.0001766000000000, -0.0002968000000000 ] - [ 0.0000026300000000, -0.0000054300000000, 0.0001575000000000 ] - [ -0.0003477900000000, 0.0000749400000000, -0.0001234300000000 ] - [ -0.0000448500000000, 0.0001413500000000, -0.0000678000000000 ] - [ -0.0001308400000000, 0.0000151400000000, -0.0001163200000000 ] - [ 0.0002858700000000, -0.0000172000000000, -0.0000128700000000 ] - [ -0.0000801700000000, 0.0000150200000000, 0.0000607500000000 ] - [ 0.0000402500000000, 0.0000050900000000, -0.0000605200000000 ] - [ 0.0000155200000000, -0.0000470300000000, -0.0000550400000000 ] - [ 0.0001307600000000, 0.0002120200000000, -0.0003919400000000 ] - [ 0.0000240300000000, 0.0000349600000000, -0.0001286400000000 ] - [ 0.0000625000000000, -0.0000049700000000, -0.0000190400000000 ] - [ -0.0000756800000000, -0.0000248300000000, -0.0000519900000000 ] - [ 0.0000666000000000, 0.0000218400000000, -0.0000393400000000 ] - [ -0.0000828400000000, 0.0000118500000000, -0.0000521100000000 ] - [ -0.0000008000000000, -0.0000033600000000, -0.0000442200000000 ] - [ 0.0000049200000000, -0.0000186000000000, -0.0000599800000000 ] - [ 0.0001111000000000, 0.0000109100000000, -0.0000176900000000 ] - [ -0.0000144200000000, -0.0000927100000000, 0.0000773800000000 ] - [ -0.0000230100000000, 0.0000972400000000, 0.0000879400000000 ] - [ -0.0002016600000000, -0.0000038400000000, 0.0000185400000000 ] - [ -0.0001060900000000, 0.0000115400000000, 0.0000953000000000 ] - [ 0.0001014500000000, 0.0000234200000000, 0.0000935100000000 ] - [ 0.0001044700000000, -0.0000182000000000, 0.0000945000000000 ] - [ -0.0001122200000000, -0.0000155900000000, 0.0001013100000000 ] - [ 0.0000856000000000, 0.0000348800000000, 0.0000454400000000 ] - [ 0.0001014000000000, -0.0000268600000000, 0.0000702700000000 ] - [ 0.0000787200000000, -0.0000034400000000, -0.0000308400000000 ] - [ 0.0000041900000000, 0.0000880000000000, 0.0000677300000000 ] - [ 0.0000160700000000, -0.0000979900000000, 0.0000783400000000 ] - [ -0.0001819600000000, 0.0001065800000000, 0.0000767900000000 ] - [ -0.0001249300000000, 0.0000452400000000, -0.0000822000000000 ] - [ -0.0001012800000000, 0.0000200400000000, -0.0001526700000000 ] - [ 0.0001196800000000, 0.0000908200000000, 0.0002034400000000 ] - [ 0.0000175400000000, -0.0000072000000000, 0.0000743100000000 ] - [ -0.0001079700000000, 0.0000232200000000, 0.0001355600000000 ] - [ -0.0011155000000000, 0.0020025100000000, -0.0003040100000000 ] - [ -0.0003164000000000, -0.0004387300000000, -0.0000953600000000 ] - [ -0.0000006300000000, -0.0000250900000000, -0.0000465300000000 ] - [ 0.0042596900000000, 0.0045307100000000, -0.0000891900000000 ] - [ 0.0003324500000000, -0.0003839400000000, -0.0000662000000000 ] - [ -0.0007877900000000, 0.0120264000000000, -0.0105165900000000 ] - [ -0.0000364400000000, 0.0000593000000000, -0.0001595500000000 ] - [ 0.0000001900000000, 0.0000212700000000, -0.0000572100000000 ] - [ 0.0000257700000000, -0.0004654900000000, -0.0004232700000000 ] - [ -0.0000748700000000, -0.0000983400000000, 0.0000407900000000 ] - [ 0.0000609800000000, 0.0000201200000000, -0.0001442000000000 ] - [ 0.0000572500000000, -0.0000254600000000, -0.0001504200000000 ] - [ -0.0001604900000000, 0.0001614600000000, 0.0001277700000000 ] - [ -0.0000580600000000, -0.0000425000000000, -0.0001508800000000 ] - [ -0.0000558600000000, 0.0000369500000000, -0.0001488500000000 ] - [ -0.0000316900000000, -0.0000043300000000, 0.0001071200000000 ] - [ 0.0000728800000000, -0.0000171600000000, -0.0000537600000000 ] - [ -0.0000072900000000, -0.0000397400000000, -0.0001059300000000 ] - [ -0.0000874200000000, -0.0001278200000000, 0.0000832900000000 ] - [ -0.0000878100000000, 0.0001058100000000, 0.0001491800000000 ] - [ -0.0001040400000000, 0.0000698800000000, 0.0002913100000000 ] - [ -0.0001246300000000, -0.0003232000000000, -0.0003522600000000 ] - [ 0.0000194400000000, 0.0008120300000000, -0.0002349700000000 ] - [ 0.0001001600000000, -0.0002889400000000, 0.0002229900000000 ] - [ -0.0000348900000000, -0.0001203200000000, -0.0000344100000000 ] - [ 0.0014268400000000, -0.0003622200000000, -0.0005325400000000 ] - [ 0.0003341700000000, 0.0021860600000000, -0.0003063600000000 ] - [ -0.0019502800000000, 0.0090901100000000, 0.0005633300000000 ] - [ -0.0002563800000000, -0.0001238200000000, 0.0000102900000000 ] - [ -0.0003281900000000, -0.0010068300000000, 0.0016563700000000 ] - [ 0.0004288600000000, -0.0001205600000000, 0.0004038600000000 ] - [ -0.0000245300000000, -0.0000672800000000, 0.0000784100000000 ] - [ 0.0000938100000000, 0.0000325400000000, -0.0000367300000000 ] - [ 0.0001039300000000, 0.0000234800000000, 0.0001120400000000 ] - [ -0.0000766400000000, 0.0000717800000000, 0.0001183600000000 ] - [ 0.0000222600000000, -0.0000501600000000, 0.0000750400000000 ] - [ 0.0001272100000000, 0.0000609100000000, 0.0000537300000000 ] - [ 0.0001227900000000, -0.0000496000000000, 0.0001146500000000 ]- atom: 20 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000731200000000, 0.0000042200000000, -0.0000080400000000 ] - [ -0.0001057800000000, 0.0000007200000000, 0.0000864700000000 ] - [ -0.0001209400000000, 0.0000042600000000, 0.0001018100000000 ] - [ 0.0002199700000000, -0.0000011700000000, 0.0000036700000000 ] - [ -0.0003683500000000, 0.0000241300000000, 0.0005516400000000 ] - [ -0.0000382800000000, -0.0000025000000000, -0.0000254600000000 ] - [ 0.0004321100000000, -0.0001899800000000, -0.0004693700000000 ] - [ 0.0001644500000000, -0.0000108300000000, -0.0000945000000000 ] - [ 0.0001016400000000, 0.0000589200000000, -0.0001351100000000 ] - [ -0.0000306900000000, -0.0002596900000000, -0.0005827600000000 ] - [ -0.0000578000000000, -0.0000560700000000, 0.0001948600000000 ] - [ 0.0000872500000000, -0.0000944000000000, -0.0000351900000000 ] - [ -0.0000930800000000, 0.0004436000000000, -0.0003695100000000 ] - [ -0.0007634800000000, -0.0003706300000000, -0.0009359300000000 ] - [ 0.0000746800000000, -0.0000321200000000, -0.0000312900000000 ] - [ 0.0005839600000000, -0.0000436900000000, 0.0004166200000000 ] - [ -0.0031598700000000, -0.0027912800000000, 0.0055611400000000 ] - [ 0.0000434700000000, -0.0000976400000000, -0.0001836700000000 ] - [ 0.0009605900000000, -0.0009298800000000, -0.0026669400000000 ] - [ 0.0011591300000000, 0.0534670900000000, -0.0102193300000000 ] - [ 0.0000765500000000, -0.0007886200000000, 0.0001610400000000 ] - [ 0.0006249100000000, -0.0092406400000000, 0.0012779600000000 ] - [ -0.0001596600000000, -0.0088516100000000, -0.0019183500000000 ] - [ -0.0000972700000000, 0.0012067500000000, -0.0019552300000000 ] - [ 0.0000075400000000, -0.0003423100000000, -0.0002579700000000 ] - [ -0.0002365900000000, -0.0011510900000000, -0.0024083700000000 ] - [ 0.0024710200000000, -0.0021522000000000, 0.0044988600000000 ] - [ -0.0000175800000000, -0.0002556800000000, -0.0000646800000000 ] - [ -0.0001363100000000, -0.0000109900000000, 0.0000200600000000 ] - [ 0.0000436100000000, -0.0000005200000000, -0.0002538800000000 ] - [ -0.0000052700000000, 0.0001552900000000, -0.0000491500000000 ] - [ 0.0001346400000000, 0.0000029700000000, 0.0000309000000000 ] - [ 0.0002390800000000, -0.0000732800000000, 0.0000912100000000 ] - [ -0.0001724000000000, -0.0001507400000000, 0.0002250200000000 ] - [ -0.0000829400000000, -0.0000094400000000, 0.0002672200000000 ] - [ 0.0001490200000000, 0.0000174400000000, -0.0000221500000000 ] - [ -0.0000394000000000, -0.0000322900000000, 0.0001560900000000 ] - [ -0.0001021400000000, 0.0000452500000000, -0.0000522600000000 ] - [ -0.0000560700000000, 0.0000225600000000, -0.0000528000000000 ] - [ 0.0001364400000000, -0.0001618600000000, 0.0000255500000000 ] - [ 0.0002521200000000, -0.0000962900000000, -0.0002068500000000 ] - [ 0.0000949500000000, -0.0000154100000000, -0.0000575300000000 ] - [ -0.0000713000000000, -0.0000128500000000, -0.0000174600000000 ] - [ 0.0000866600000000, 0.0000160300000000, -0.0000419600000000 ] - [ -0.0000665100000000, -0.0000047700000000, -0.0000416200000000 ] - [ 0.0000399500000000, 0.0000464000000000, -0.0000663400000000 ] - [ 0.0000543900000000, -0.0000016400000000, -0.0000547000000000 ] - [ 0.0000780500000000, -0.0000355700000000, 0.0000086400000000 ] - [ -0.0000251600000000, -0.0000997700000000, 0.0000689700000000 ] - [ -0.0000121500000000, 0.0000884000000000, 0.0000666700000000 ] - [ -0.0001928500000000, 0.0000014800000000, 0.0000143700000000 ] - [ -0.0001086700000000, 0.0000044700000000, 0.0000872300000000 ] - [ 0.0001106300000000, 0.0000150500000000, 0.0000735100000000 ] - [ 0.0001104300000000, -0.0000123800000000, 0.0000788100000000 ] - [ -0.0001044300000000, -0.0000137400000000, 0.0000900900000000 ] - [ 0.0000650900000000, 0.0000394300000000, 0.0000402600000000 ] - [ 0.0000506800000000, -0.0000521500000000, 0.0000186000000000 ] - [ 0.0000410600000000, -0.0000020500000000, -0.0000292700000000 ] - [ 0.0000348100000000, 0.0000848600000000, 0.0000733400000000 ] - [ 0.0000195700000000, -0.0000850200000000, 0.0000704000000000 ] - [ -0.0000050200000000, -0.0001083400000000, -0.0000812000000000 ] - [ -0.0000795900000000, -0.0000130400000000, -0.0002572400000000 ] - [ -0.0001056100000000, -0.0000566100000000, -0.0001881900000000 ] - [ -0.0000009500000000, -0.0000934100000000, -0.0000133500000000 ] - [ 0.0000327800000000, 0.0000055300000000, 0.0001098900000000 ] - [ -0.0000575600000000, -0.0000252000000000, -0.0001483600000000 ] - [ 0.0013366800000000, -0.0020140800000000, -0.0000021000000000 ] - [ 0.0004301100000000, 0.0003758300000000, -0.0002009700000000 ] - [ 0.0000094400000000, 0.0000277500000000, -0.0000635600000000 ] - [ -0.0045817400000000, -0.0047274700000000, -0.0002283100000000 ] - [ -0.0004396600000000, 0.0004420200000000, -0.0002277200000000 ] - [ 0.0007233800000000, -0.0117523400000000, 0.0102935300000000 ] - [ 0.0001999000000000, -0.0000641600000000, 0.0001334800000000 ] - [ 0.0000101700000000, -0.0000272600000000, -0.0000511400000000 ] - [ 0.0000241300000000, 0.0004642700000000, 0.0006117600000000 ] - [ -0.0000906600000000, 0.0000908100000000, -0.0000446800000000 ] - [ 0.0000515300000000, 0.0000445400000000, -0.0001458400000000 ] - [ 0.0000536700000000, -0.0000329500000000, -0.0001442100000000 ] - [ 0.0001758800000000, -0.0001525800000000, -0.0002346400000000 ] - [ -0.0000488100000000, -0.0000133400000000, -0.0001417500000000 ] - [ -0.0000499300000000, 0.0000253400000000, -0.0001449100000000 ] - [ -0.0000143900000000, 0.0000003300000000, 0.0000817200000000 ] - [ 0.0000841300000000, 0.0000111700000000, 0.0000292000000000 ] - [ 0.0000203700000000, 0.0000291600000000, -0.0000057100000000 ] - [ -0.0001228900000000, -0.0001187800000000, 0.0000995300000000 ] - [ -0.0001183200000000, 0.0001553800000000, 0.0000298400000000 ] - [ -0.0000879500000000, -0.0000747000000000, -0.0001164500000000 ] - [ 0.0000162800000000, 0.0002353700000000, 0.0003716600000000 ] - [ 0.0000878100000000, -0.0006805000000000, 0.0002318000000000 ] - [ 0.0000176100000000, 0.0001929500000000, -0.0002037000000000 ] - [ -0.0000665900000000, 0.0002311200000000, 0.0000337200000000 ] - [ -0.0013855200000000, 0.0003452700000000, 0.0007728900000000 ] - [ -0.0001066500000000, -0.0020502100000000, 0.0005397800000000 ] - [ 0.0021784200000000, -0.0091937900000000, -0.0004474700000000 ] - [ 0.0000677100000000, -0.0001720500000000, 0.0001557000000000 ] - [ 0.0001392400000000, 0.0012865100000000, -0.0014985800000000 ] - [ -0.0007018500000000, 0.0001144500000000, -0.0002663200000000 ] - [ -0.0000919900000000, -0.0000335700000000, -0.0000505900000000 ] - [ 0.0000211500000000, 0.0001131200000000, 0.0000771400000000 ] - [ 0.0000153600000000, -0.0001122300000000, -0.0000482600000000 ] - [ -0.0000301500000000, 0.0000618700000000, -0.0001129900000000 ] - [ 0.0000291800000000, 0.0000534500000000, 0.0001682800000000 ] - [ 0.0001021300000000, 0.0000667100000000, 0.0001650700000000 ] - [ 0.0001084500000000, -0.0000728900000000, 0.0001098800000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002034200000000, -0.0000046700000000, -0.0000381200000000 ] - [ -0.0002330100000000, -0.0000420800000000, 0.0002563400000000 ] - [ -0.0001831700000000, -0.0000049700000000, 0.0001897500000000 ] - [ 0.0002199300000000, 0.0000006200000000, 0.0000277500000000 ] - [ -0.0012596800000000, -0.0007051400000000, 0.0015433700000000 ] - [ 0.0000515900000000, -0.0000233100000000, -0.0000206500000000 ] - [ -0.0011242700000000, 0.0005910600000000, 0.0007488600000000 ] - [ 0.0000755200000000, -0.0002068900000000, 0.0001237700000000 ] - [ 0.0001894900000000, 0.0000586900000000, 0.0001310900000000 ] - [ 0.0000903800000000, 0.0002592600000000, 0.0001450000000000 ] - [ -0.0000764400000000, -0.0001599000000000, 0.0000797500000000 ] - [ 0.0000551200000000, 0.0000039300000000, 0.0000456100000000 ] - [ -0.0001247200000000, 0.0003379400000000, 0.0007125600000000 ] - [ 0.0021353100000000, 0.0012296900000000, 0.0015634600000000 ] - [ -0.0000096800000000, -0.0000385900000000, -0.0000237400000000 ] - [ 0.0015076900000000, -0.0006196500000000, 0.0009747700000000 ] - [ -0.0042749400000000, -0.0048000000000000, 0.0055256400000000 ] - [ 0.0000023900000000, 0.0001540400000000, -0.0001255300000000 ] - [ -0.0017939000000000, 0.0017799400000000, 0.0022814200000000 ] - [ 0.0008052000000000, 0.0101385700000000, -0.0639047300000000 ] - [ 0.0000898200000000, -0.0000755200000000, -0.0001545400000000 ] - [ 0.0000119800000000, 0.0012263400000000, -0.0015942300000000 ] - [ 0.0001253700000000, -0.0020732900000000, -0.0007906600000000 ] - [ 0.0000299800000000, -0.0002370500000000, 0.0035689100000000 ] - [ 0.0003218200000000, 0.0003875800000000, 0.0006735400000000 ] - [ 0.0010047300000000, 0.0019106300000000, 0.0024025500000000 ] - [ 0.0038922200000000, -0.0042057800000000, 0.0046429300000000 ] - [ 0.0000066200000000, -0.0000612300000000, -0.0000664400000000 ] - [ 0.0000253900000000, 0.0000354200000000, 0.0000222300000000 ] - [ -0.0003368400000000, 0.0000371400000000, -0.0002370700000000 ] - [ -0.0003521900000000, 0.0000711600000000, -0.0001276000000000 ] - [ -0.0001335300000000, 0.0000680700000000, 0.0002805300000000 ] - [ -0.0001182000000000, -0.0000430000000000, -0.0000686000000000 ] - [ -0.0000596100000000, 0.0000629800000000, -0.0000220700000000 ] - [ 0.0000474500000000, -0.0002071200000000, -0.0001536600000000 ] - [ 0.0002481400000000, -0.0000190000000000, 0.0000472200000000 ] - [ -0.0000640000000000, -0.0000150100000000, 0.0001153400000000 ] - [ 0.0001000100000000, -0.0000515300000000, -0.0000303800000000 ] - [ -0.0000152500000000, -0.0000339500000000, -0.0000606600000000 ] - [ -0.0000192700000000, -0.0001558100000000, 0.0000761300000000 ] - [ 0.0000430200000000, -0.0000301000000000, -0.0001828300000000 ] - [ 0.0000621400000000, 0.0000093500000000, 0.0000164200000000 ] - [ -0.0000750000000000, -0.0000096700000000, -0.0000352600000000 ] - [ 0.0000547200000000, 0.0000005700000000, 0.0000171500000000 ] - [ -0.0000819700000000, 0.0000021300000000, -0.0000333900000000 ] - [ 0.0000228600000000, -0.0000185200000000, -0.0000456200000000 ] - [ -0.0000341900000000, 0.0000100000000000, -0.0000471200000000 ] - [ 0.0000940400000000, -0.0000075200000000, 0.0000211900000000 ] - [ -0.0000376300000000, -0.0001310600000000, 0.0000851400000000 ] - [ -0.0000445300000000, 0.0001511500000000, 0.0001071900000000 ] - [ -0.0002803300000000, -0.0000039000000000, -0.0000763600000000 ] - [ -0.0001051500000000, -0.0000032900000000, 0.0001111500000000 ] - [ 0.0001266900000000, 0.0000224700000000, 0.0001955200000000 ] - [ 0.0001158900000000, -0.0000114900000000, 0.0001512000000000 ] - [ -0.0001080400000000, -0.0000021400000000, 0.0001266800000000 ] - [ 0.0001806200000000, -0.0000609800000000, 0.0001565000000000 ] - [ 0.0002213600000000, 0.0000809400000000, 0.0002018300000000 ] - [ 0.0000980000000000, 0.0000029200000000, -0.0000170900000000 ] - [ 0.0000558200000000, 0.0000895900000000, 0.0001017900000000 ] - [ 0.0000638400000000, -0.0000933600000000, 0.0001242300000000 ] - [ -0.0001672800000000, 0.0001888600000000, 0.0000393600000000 ] - [ -0.0002254400000000, 0.0001409200000000, -0.0000057800000000 ] - [ -0.0001960700000000, 0.0000030600000000, -0.0001071600000000 ] - [ 0.0000604200000000, 0.0001492700000000, 0.0002333500000000 ] - [ -0.0000092600000000, -0.0000244800000000, -0.0000329300000000 ] - [ -0.0000405500000000, 0.0000316000000000, -0.0004922500000000 ] - [ 0.0017086500000000, -0.0017031900000000, 0.0013817000000000 ] - [ 0.0002976600000000, 0.0002457500000000, -0.0001119800000000 ] - [ -0.0000053700000000, 0.0000434600000000, -0.0001393000000000 ] - [ -0.0012961900000000, -0.0015437000000000, 0.0012001100000000 ] - [ -0.0003307100000000, 0.0003415500000000, -0.0000791200000000 ] - [ 0.0003207800000000, -0.0082588500000000, 0.0086234000000000 ] - [ -0.0000869400000000, -0.0000735100000000, -0.0001098900000000 ] - [ -0.0000092200000000, -0.0000280300000000, -0.0001640100000000 ] - [ 0.0000253000000000, -0.0002369300000000, -0.0000435800000000 ] - [ -0.0001012400000000, 0.0000911500000000, -0.0000139600000000 ] - [ 0.0000708800000000, 0.0000177900000000, -0.0001809300000000 ] - [ 0.0000803600000000, -0.0000247900000000, -0.0002220000000000 ] - [ 0.0001227900000000, -0.0001761000000000, -0.0000194500000000 ] - [ -0.0000737500000000, -0.0000436800000000, -0.0001913100000000 ] - [ -0.0000823000000000, 0.0000400100000000, -0.0002217400000000 ] - [ -0.0000319700000000, 0.0000063200000000, 0.0000397000000000 ] - [ 0.0000826900000000, -0.0000520300000000, -0.0000624600000000 ] - [ -0.0000086600000000, -0.0000557000000000, 0.0000033900000000 ] - [ -0.0002446500000000, 0.0000396400000000, -0.0002651000000000 ] - [ -0.0002253800000000, -0.0000881200000000, -0.0000635500000000 ] - [ 0.0002029500000000, 0.0000949300000000, -0.0005390100000000 ] - [ -0.0003433700000000, -0.0011916400000000, 0.0002670200000000 ] - [ -0.0001779000000000, 0.0000906100000000, -0.0014602700000000 ] - [ 0.0000462800000000, 0.0012501800000000, -0.0000471200000000 ] - [ -0.0000350300000000, -0.0001399900000000, -0.0000855500000000 ] - [ 0.0012487400000000, 0.0006805100000000, 0.0003572600000000 ] - [ -0.0008361300000000, 0.0008047600000000, 0.0019771300000000 ] - [ -0.0012749500000000, 0.0037465100000000, 0.0291884800000000 ] - [ -0.0001601800000000, -0.0000026300000000, 0.0003852600000000 ] - [ -0.0000689700000000, 0.0011898800000000, 0.0012344300000000 ] - [ 0.0001348000000000, 0.0000395600000000, 0.0001668500000000 ] - [ 0.0000138200000000, -0.0002105000000000, 0.0000718800000000 ] - [ 0.0000678200000000, 0.0000863000000000, -0.0000260800000000 ] - [ 0.0000336800000000, -0.0000130100000000, -0.0001067900000000 ] - [ 0.0000270500000000, 0.0000794400000000, 0.0000300800000000 ] - [ 0.0001675300000000, -0.0001402100000000, 0.0000007700000000 ] - [ 0.0001531700000000, 0.0001413800000000, -0.0001503200000000 ] - [ 0.0001399700000000, -0.0001030400000000, 0.0000033800000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000774900000000, 0.0000044400000000, 0.0000227600000000 ] - [ -0.0000162900000000, 0.0000296600000000, -0.0000675700000000 ] - [ -0.0000642100000000, 0.0000170700000000, -0.0000020000000000 ] - [ 0.0002467300000000, -0.0000005500000000, -0.0000959600000000 ] - [ 0.0011732800000000, 0.0007062100000000, -0.0013099400000000 ] - [ 0.0000378400000000, 0.0000501400000000, -0.0000727000000000 ] - [ 0.0012587700000000, -0.0006383900000000, -0.0008446700000000 ] - [ 0.0001919400000000, 0.0002546500000000, -0.0004231600000000 ] - [ 0.0000914300000000, -0.0001100700000000, -0.0004266700000000 ] - [ 0.0000519800000000, -0.0002522000000000, -0.0002456100000000 ] - [ -0.0000747800000000, 0.0001463300000000, -0.0001875600000000 ] - [ 0.0000876200000000, 0.0000201500000000, -0.0001473200000000 ] - [ -0.0000263900000000, -0.0003410800000000, -0.0008020600000000 ] - [ -0.0022906800000000, -0.0012346100000000, -0.0016744400000000 ] - [ -0.0000819300000000, 0.0000114000000000, -0.0000686500000000 ] - [ -0.0013526600000000, 0.0006149900000000, -0.0009767800000000 ] - [ 0.0041486700000000, 0.0045069500000000, -0.0053324400000000 ] - [ -0.0000479700000000, 0.0000516600000000, 0.0002525600000000 ] - [ 0.0012989000000000, -0.0017471500000000, -0.0023171600000000 ] - [ -0.0008735200000000, -0.0108264100000000, 0.0621520600000000 ] - [ 0.0001262600000000, 0.0001052800000000, 0.0003454000000000 ] - [ 0.0002034900000000, -0.0011710700000000, 0.0017792900000000 ] - [ -0.0003373900000000, 0.0019855800000000, 0.0009439000000000 ] - [ 0.0001935700000000, 0.0002177900000000, -0.0033384200000000 ] - [ -0.0000989200000000, -0.0003776200000000, -0.0004968300000000 ] - [ -0.0008624000000000, -0.0018721800000000, -0.0024119500000000 ] - [ -0.0037558300000000, 0.0042941300000000, -0.0044343700000000 ] - [ 0.0000532200000000, -0.0001092500000000, 0.0002073800000000 ] - [ -0.0001783300000000, -0.0000487200000000, -0.0000198600000000 ] - [ 0.0000633400000000, 0.0000214100000000, -0.0000785300000000 ] - [ 0.0000641800000000, -0.0001379500000000, -0.0001706600000000 ] - [ 0.0002202400000000, -0.0000754400000000, -0.0000510400000000 ] - [ -0.0000561300000000, 0.0000504500000000, -0.0000305300000000 ] - [ -0.0000431900000000, 0.0001060700000000, 0.0000547200000000 ] - [ -0.0001549500000000, 0.0000396800000000, 0.0001774600000000 ] - [ 0.0001215800000000, 0.0000253600000000, 0.0000389600000000 ] - [ -0.0000449000000000, 0.0000290900000000, 0.0000514600000000 ] - [ -0.0000096000000000, 0.0000753400000000, -0.0000779000000000 ] - [ 0.0000054700000000, -0.0000022300000000, -0.0000389700000000 ] - [ 0.0001902700000000, 0.0001592700000000, -0.0003829700000000 ] - [ 0.0001031500000000, 0.0000331400000000, -0.0001540100000000 ] - [ 0.0000872800000000, -0.0000113300000000, -0.0001282900000000 ] - [ -0.0000774000000000, -0.0000019300000000, -0.0001078100000000 ] - [ 0.0000890400000000, 0.0000171600000000, -0.0001439700000000 ] - [ -0.0000769800000000, -0.0000041300000000, -0.0000818000000000 ] - [ -0.0000136600000000, 0.0000429800000000, -0.0000509900000000 ] - [ -0.0000568300000000, -0.0000388100000000, -0.0000577300000000 ] - [ 0.0000724300000000, 0.0000313400000000, -0.0000277200000000 ] - [ -0.0000210200000000, -0.0000455500000000, 0.0000194800000000 ] - [ -0.0000119600000000, 0.0000366300000000, 0.0000111300000000 ] - [ -0.0002209300000000, -0.0000065500000000, -0.0000377500000000 ] - [ -0.0001073500000000, 0.0000087300000000, 0.0000029600000000 ] - [ 0.0000836200000000, 0.0000029400000000, -0.0000628200000000 ] - [ 0.0000933200000000, 0.0000015300000000, -0.0000280200000000 ] - [ -0.0001023600000000, -0.0000158500000000, -0.0000213900000000 ] - [ 0.0001037400000000, -0.0000178000000000, 0.0000692700000000 ] - [ 0.0000692400000000, 0.0000025100000000, 0.0000390900000000 ] - [ -0.0000044900000000, -0.0000085700000000, 0.0000226500000000 ] - [ 0.0000044100000000, 0.0000834500000000, 0.0000059400000000 ] - [ -0.0000067700000000, -0.0000693500000000, -0.0000024500000000 ] - [ 0.0000162200000000, -0.0001685900000000, -0.0000273000000000 ] - [ -0.0001125200000000, -0.0000615000000000, -0.0002623000000000 ] - [ -0.0001266300000000, -0.0000746700000000, -0.0001789900000000 ] - [ 0.0000142200000000, -0.0001352100000000, 0.0000354600000000 ] - [ 0.0000527400000000, 0.0000267800000000, 0.0002236500000000 ] - [ -0.0001426000000000, -0.0000312200000000, 0.0005085100000000 ] - [ -0.0015573800000000, 0.0017331700000000, -0.0017020000000000 ] - [ -0.0001781600000000, -0.0003023700000000, -0.0001883600000000 ] - [ -0.0000014200000000, -0.0000504100000000, 0.0000226800000000 ] - [ 0.0011474200000000, 0.0014587000000000, -0.0015269500000000 ] - [ 0.0002026300000000, -0.0002742100000000, -0.0002243000000000 ] - [ -0.0003962100000000, 0.0087123100000000, -0.0087822100000000 ] - [ 0.0002505000000000, 0.0000714500000000, 0.0001129400000000 ] - [ 0.0000010900000000, 0.0000314500000000, 0.0000569300000000 ] - [ 0.0000207200000000, 0.0002329900000000, 0.0002273900000000 ] - [ -0.0000493100000000, -0.0000851800000000, -0.0000239600000000 ] - [ 0.0000359600000000, 0.0000415200000000, -0.0001069600000000 ] - [ 0.0000393900000000, -0.0000380900000000, -0.0000839200000000 ] - [ -0.0001429900000000, 0.0001499300000000, -0.0000669500000000 ] - [ -0.0000399500000000, -0.0000170700000000, -0.0001031800000000 ] - [ -0.0000448400000000, 0.0000217300000000, -0.0000863700000000 ] - [ -0.0000206500000000, -0.0000090900000000, 0.0001415400000000 ] - [ 0.0001097200000000, 0.0000575000000000, 0.0000948300000000 ] - [ -0.0000089500000000, 0.0000743600000000, -0.0000995600000000 ] - [ 0.0000468200000000, -0.0003666500000000, 0.0004179300000000 ] - [ 0.0000275700000000, 0.0004211400000000, 0.0002186300000000 ] - [ -0.0004780800000000, -0.0000868300000000, 0.0006711100000000 ] - [ 0.0002224600000000, 0.0011210000000000, -0.0002824200000000 ] - [ 0.0003012400000000, -0.0000704100000000, 0.0014565200000000 ] - [ 0.0000781300000000, -0.0012934400000000, 0.0000539700000000 ] - [ -0.0000909700000000, 0.0001864100000000, 0.0001082900000000 ] - [ -0.0010047600000000, -0.0006402100000000, -0.0001452100000000 ] - [ 0.0010373500000000, -0.0005031900000000, -0.0017665500000000 ] - [ 0.0013699900000000, -0.0036749600000000, -0.0270738600000000 ] - [ -0.0001275900000000, 0.0000824600000000, -0.0001164700000000 ] - [ -0.0002145100000000, -0.0012514000000000, -0.0009634900000000 ] - [ 0.0000558300000000, -0.0000451900000000, 0.0001948800000000 ] - [ -0.0001265400000000, 0.0000939700000000, -0.0000401100000000 ] - [ 0.0000405400000000, 0.0000230000000000, 0.0000198700000000 ] - [ 0.0000832300000000, -0.0000502000000000, 0.0000764200000000 ] - [ -0.0001515600000000, -0.0000190300000000, -0.0000072800000000 ] - [ 0.0002651300000000, 0.0001317400000000, 0.0000627300000000 ] - [ 0.0000235300000000, 0.0002941600000000, 0.0002690600000000 ] - [ 0.0000305000000000, -0.0003354000000000, 0.0001202800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000099700000000, 0.0000000000000000, 0.0000258600000000 ] - [ -0.0001462300000000, -0.0000536700000000, 0.0001902200000000 ] - [ -0.0001462300000000, 0.0000536700000000, 0.0001902200000000 ] - [ 0.0003450300000000, 0.0000000000000000, 0.0001075000000000 ] - [ -0.0000355400000000, 0.0000000000000000, 0.0001375700000000 ] - [ 0.0000412500000000, 0.0000090400000000, -0.0000441200000000 ] - [ 0.0000412500000000, -0.0000090400000000, -0.0000441200000000 ] - [ 0.0001575200000000, 0.0000272000000000, -0.0001334900000000 ] - [ 0.0001575200000000, -0.0000272000000000, -0.0001334900000000 ] - [ 0.0000705700000000, -0.0000126000000000, -0.0000589700000000 ] - [ -0.0000728100000000, 0.0000003900000000, -0.0000791900000000 ] - [ 0.0000705700000000, 0.0000126000000000, -0.0000589700000000 ] - [ -0.0000728100000000, -0.0000003900000000, -0.0000791900000000 ] - [ -0.0000394400000000, 0.0000220500000000, -0.0000428100000000 ] - [ -0.0000394400000000, -0.0000220500000000, -0.0000428100000000 ] - [ 0.0000567300000000, 0.0000000000000000, 0.0000110500000000 ] - [ -0.0000240600000000, -0.0001024100000000, 0.0000689000000000 ] - [ -0.0000240600000000, 0.0001024100000000, 0.0000689000000000 ] - [ -0.0002022700000000, 0.0000000000000000, -0.0001162100000000 ] - [ -0.0001039100000000, -0.0000041300000000, 0.0000359600000000 ] - [ 0.0001037100000000, 0.0000210700000000, 0.0000927600000000 ] - [ 0.0001037100000000, -0.0000210700000000, 0.0000927600000000 ] - [ -0.0001039100000000, 0.0000041300000000, 0.0000359600000000 ] - [ 0.0002146500000000, 0.0000345200000000, 0.0002275300000000 ] - [ 0.0002146500000000, -0.0000345200000000, 0.0002275300000000 ] - [ -0.0000092400000000, 0.0000000000000000, 0.0000657100000000 ] - [ 0.0000414000000000, 0.0000464500000000, 0.0000583600000000 ] - [ 0.0000414000000000, -0.0000464500000000, 0.0000583600000000 ] - [ 0.0072852700000000, 0.0000000000000000, -0.0045091200000000 ] - [ -0.0006807900000000, 0.0000565000000000, -0.0001832700000000 ] - [ -0.0006807900000000, -0.0000565000000000, -0.0001832700000000 ] - [ 0.0064147300000000, 0.0000000000000000, 0.0037544300000000 ] - [ -0.0000541700000000, 0.0000000000000000, -0.0000326500000000 ] - [ -0.0000550600000000, 0.0000625300000000, 0.0000420500000000 ] - [ -0.0000550600000000, -0.0000625300000000, 0.0000420500000000 ] - [ 0.0001926000000000, 0.0000000000000000, 0.0000321300000000 ] - [ -0.0000473300000000, 0.0000000000000000, 0.0000869400000000 ] - [ -0.0004341300000000, -0.0001036900000000, -0.0001645400000000 ] - [ -0.0004341300000000, 0.0001036900000000, -0.0001645400000000 ] - [ 0.0001110100000000, -0.0000185600000000, -0.0001625600000000 ] - [ 0.0001110100000000, 0.0000185600000000, -0.0001625600000000 ] - [ -0.0005767500000000, -0.0000872300000000, -0.0000475200000000 ] - [ -0.0000491300000000, -0.0000153900000000, -0.0000776000000000 ] - [ -0.0005767500000000, 0.0000872300000000, -0.0000475200000000 ] - [ -0.0000491300000000, 0.0000153900000000, -0.0000776000000000 ] - [ -0.0004907900000000, -0.0000932700000000, -0.0000267900000000 ] - [ -0.0004907900000000, 0.0000932700000000, -0.0000267900000000 ] - [ 0.0000743200000000, 0.0000000000000000, -0.0000568900000000 ] - [ 0.0000292600000000, -0.0002012000000000, -0.0000847000000000 ] - [ 0.0000292600000000, 0.0002012000000000, -0.0000847000000000 ] - [ -0.0002322100000000, 0.0000000000000000, -0.0000241200000000 ] - [ -0.0001248000000000, 0.0000153500000000, 0.0000654800000000 ] - [ 0.0002139100000000, 0.0007906800000000, -0.0003523700000000 ] - [ 0.0002139100000000, -0.0007906800000000, -0.0003523700000000 ] - [ -0.0001248000000000, -0.0000153500000000, 0.0000654800000000 ] - [ 0.0000987400000000, 0.0000181700000000, 0.0000827100000000 ] - [ 0.0000987400000000, -0.0000181700000000, 0.0000827100000000 ] - [ 0.0000437900000000, 0.0000000000000000, -0.0000254200000000 ] - [ 0.0001572300000000, 0.0002404000000000, 0.0002727300000000 ] - [ 0.0001572300000000, -0.0002404000000000, 0.0002727300000000 ] - [ -0.0000707500000000, 0.0000000000000000, 0.0000198200000000 ] - [ -0.0001282200000000, 0.0000178700000000, -0.0001426400000000 ] - [ -0.0001282200000000, -0.0000178700000000, -0.0001426400000000 ] - [ 0.0000299100000000, 0.0000000000000000, 0.0001318100000000 ] - [ -0.0170643200000000, 0.0000000000000000, 0.0013819300000000 ] - [ -0.0000893800000000, 0.0000000000000000, -0.0000075400000000 ] - [ 0.0000568000000000, 0.0000395200000000, -0.0001469100000000 ] - [ 0.0000568000000000, -0.0000395200000000, -0.0001469100000000 ] - [ -0.0000461200000000, 0.0000093700000000, -0.0000576500000000 ] - [ -0.0000605000000000, -0.0000219300000000, -0.0001539800000000 ] - [ -0.0000605000000000, 0.0000219300000000, -0.0001539800000000 ] - [ -0.0000313500000000, 0.0000000000000000, 0.0000954900000000 ] - [ -0.0000538000000000, 0.0000000000000000, -0.0014510100000000 ] - [ -0.0000461200000000, -0.0000093700000000, -0.0000576500000000 ] - [ 0.0000233800000000, 0.0000000000000000, 0.0000875100000000 ] - [ -0.0000689000000000, 0.0000000000000000, -0.0000104200000000 ] - [ 0.0000076400000000, 0.0001868500000000, 0.0001714500000000 ] - [ 0.0000076400000000, -0.0001868500000000, 0.0001714500000000 ] - [ -0.0000361700000000, 0.0000188200000000, -0.0000530000000000 ] - [ -0.0000321500000000, -0.0001289600000000, -0.0003979400000000 ] - [ -0.0000321500000000, 0.0001289600000000, -0.0003979400000000 ] - [ -0.0000404200000000, 0.0000000000000000, 0.0000979400000000 ] - [ 0.0000823300000000, 0.0000000000000000, -0.0000081000000000 ] - [ -0.0000361700000000, -0.0000188200000000, -0.0000530000000000 ] - [ 0.0001524300000000, -0.0003564800000000, -0.0002316200000000 ] - [ 0.0001524300000000, 0.0003564800000000, -0.0002316200000000 ] - [ -0.0002882800000000, 0.0000000000000000, 0.0000348800000000 ] - [ -0.0000513300000000, -0.0000294600000000, 0.0000150600000000 ] - [ 0.0000536200000000, 0.0000396000000000, 0.0000278900000000 ] - [ 0.0000536200000000, -0.0000396000000000, 0.0000278900000000 ] - [ -0.0000513300000000, 0.0000294600000000, 0.0000150600000000 ] - [ -0.0003198300000000, 0.0000000000000000, 0.0022652700000000 ] - [ 0.0000632600000000, 0.0002017800000000, 0.0000620300000000 ] - [ 0.0000632600000000, -0.0002017800000000, 0.0000620300000000 ] - [ -0.0000901200000000, -0.0000555900000000, 0.0001279200000000 ] - [ -0.0000901200000000, 0.0000555900000000, 0.0001279200000000 ] - [ -0.0000858700000000, 0.0000000000000000, 0.0000829300000000 ] - [ 0.0033357900000000, 0.0006098800000000, -0.0002062000000000 ] - [ 0.0001898700000000, 0.0000171600000000, 0.0000745000000000 ] - [ 0.0001898700000000, -0.0000171600000000, 0.0000745000000000 ] - [ 0.0033357900000000, -0.0006098800000000, -0.0002062000000000 ] - [ 0.0000684800000000, 0.0000000000000000, 0.0001151400000000 ] - [ 0.0001774100000000, 0.0000910700000000, 0.0000861200000000 ] - [ 0.0001774100000000, -0.0000910700000000, 0.0000861200000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001454600000000, 0.0000000000000000, -0.0000599800000000 ] - [ -0.0000683300000000, 0.0000575800000000, 0.0000002100000000 ] - [ -0.0000683300000000, -0.0000575800000000, 0.0000002100000000 ] - [ 0.0001144900000000, 0.0000000000000000, -0.0001509800000000 ] - [ -0.0000508800000000, 0.0000000000000000, 0.0001194000000000 ] - [ 0.0000062800000000, 0.0000189300000000, -0.0000480700000000 ] - [ 0.0000062800000000, -0.0000189300000000, -0.0000480700000000 ] - [ 0.0000995200000000, 0.0000308500000000, -0.0001470600000000 ] - [ 0.0000995200000000, -0.0000308500000000, -0.0001470600000000 ] - [ 0.0000776500000000, -0.0000076200000000, -0.0000560100000000 ] - [ -0.0000757400000000, -0.0000222100000000, -0.0000446300000000 ] - [ 0.0000776500000000, 0.0000076200000000, -0.0000560100000000 ] - [ -0.0000757400000000, 0.0000222100000000, -0.0000446300000000 ] - [ -0.0000046400000000, 0.0000166600000000, -0.0000473200000000 ] - [ -0.0000046400000000, -0.0000166600000000, -0.0000473200000000 ] - [ 0.0000897600000000, 0.0000000000000000, 0.0000140600000000 ] - [ -0.0000356900000000, -0.0000882000000000, 0.0000496500000000 ] - [ -0.0000356900000000, 0.0000882000000000, 0.0000496500000000 ] - [ -0.0002520200000000, 0.0000000000000000, 0.0000715600000000 ] - [ -0.0001099000000000, 0.0000263700000000, 0.0001035200000000 ] - [ 0.0001097000000000, -0.0000003100000000, 0.0000590800000000 ] - [ 0.0001097000000000, 0.0000003100000000, 0.0000590800000000 ] - [ -0.0001099000000000, -0.0000263700000000, 0.0001035200000000 ] - [ -0.0000068100000000, -0.0000110400000000, -0.0000863400000000 ] - [ -0.0000068100000000, 0.0000110400000000, -0.0000863400000000 ] - [ 0.0001474500000000, 0.0000000000000000, -0.0001125000000000 ] - [ 0.0000227200000000, 0.0001329800000000, 0.0000653500000000 ] - [ 0.0000227200000000, -0.0001329800000000, 0.0000653500000000 ] - [ -0.0069996700000000, 0.0000000000000000, 0.0042068100000000 ] - [ 0.0004226200000000, -0.0000032500000000, -0.0001328700000000 ] - [ 0.0004226200000000, 0.0000032500000000, -0.0001328700000000 ] - [ -0.0066804300000000, 0.0000000000000000, -0.0038197600000000 ] - [ -0.0000868300000000, 0.0000000000000000, -0.0000302500000000 ] - [ -0.0001052400000000, 0.0000199600000000, 0.0000629600000000 ] - [ -0.0001052400000000, -0.0000199600000000, 0.0000629600000000 ] - [ 0.0002275500000000, 0.0000000000000000, -0.0000239400000000 ] - [ -0.0000522200000000, 0.0000000000000000, 0.0001067100000000 ] - [ 0.0004428700000000, 0.0001337100000000, 0.0000447400000000 ] - [ 0.0004428700000000, -0.0001337100000000, 0.0000447400000000 ] - [ 0.0001009300000000, 0.0000387500000000, -0.0001628000000000 ] - [ 0.0001009300000000, -0.0000387500000000, -0.0001628000000000 ] - [ 0.0007270800000000, 0.0000683000000000, -0.0000839000000000 ] - [ -0.0001035500000000, -0.0000098200000000, -0.0000494200000000 ] - [ 0.0007270800000000, -0.0000683000000000, -0.0000839000000000 ] - [ -0.0001035500000000, 0.0000098200000000, -0.0000494200000000 ] - [ 0.0004830800000000, 0.0001255400000000, -0.0000905700000000 ] - [ 0.0004830800000000, -0.0001255400000000, -0.0000905700000000 ] - [ 0.0000894200000000, 0.0000000000000000, 0.0000459800000000 ] - [ -0.0000977200000000, 0.0000362800000000, 0.0002164000000000 ] - [ -0.0000977200000000, -0.0000362800000000, 0.0002164000000000 ] - [ -0.0001963200000000, 0.0000000000000000, 0.0000090000000000 ] - [ -0.0000889700000000, 0.0000188200000000, 0.0000727200000000 ] - [ 0.0000098500000000, -0.0007091600000000, 0.0004134600000000 ] - [ 0.0000098500000000, 0.0007091600000000, 0.0004134600000000 ] - [ -0.0000889700000000, -0.0000188200000000, 0.0000727200000000 ] - [ 0.0000970700000000, 0.0000263700000000, 0.0000687900000000 ] - [ 0.0000970700000000, -0.0000263700000000, 0.0000687900000000 ] - [ 0.0000720500000000, 0.0000000000000000, -0.0000175600000000 ] - [ -0.0000908000000000, -0.0000403400000000, -0.0001404500000000 ] - [ -0.0000908000000000, 0.0000403400000000, -0.0001404500000000 ] - [ -0.0000860200000000, 0.0000000000000000, -0.0000049400000000 ] - [ -0.0001234900000000, 0.0000128500000000, -0.0001574200000000 ] - [ -0.0001234900000000, -0.0000128500000000, -0.0001574200000000 ] - [ 0.0000566500000000, 0.0000000000000000, 0.0001035100000000 ] - [ 0.0170065200000000, 0.0000000000000000, -0.0004603400000000 ] - [ -0.0000839900000000, 0.0000000000000000, 0.0000122200000000 ] - [ 0.0000626300000000, 0.0000249800000000, -0.0001536600000000 ] - [ 0.0000626300000000, -0.0000249800000000, -0.0001536600000000 ] - [ 0.0000489400000000, -0.0000070300000000, -0.0000543500000000 ] - [ -0.0000597700000000, -0.0000369900000000, -0.0001499200000000 ] - [ -0.0000597700000000, 0.0000369900000000, -0.0001499200000000 ] - [ -0.0000192100000000, 0.0000000000000000, 0.0000822100000000 ] - [ 0.0002188200000000, 0.0000000000000000, 0.0014385200000000 ] - [ 0.0000489400000000, 0.0000070300000000, -0.0000543500000000 ] - [ 0.0000241400000000, 0.0000000000000000, 0.0000902100000000 ] - [ -0.0000902500000000, 0.0000000000000000, -0.0000095800000000 ] - [ 0.0000984000000000, -0.0001251900000000, -0.0004614400000000 ] - [ 0.0000984000000000, 0.0001251900000000, -0.0004614400000000 ] - [ 0.0000325800000000, -0.0000223700000000, -0.0000607800000000 ] - [ -0.0000744700000000, 0.0000687400000000, 0.0001048900000000 ] - [ -0.0000744700000000, -0.0000687400000000, 0.0001048900000000 ] - [ -0.0000088200000000, 0.0000000000000000, 0.0000800600000000 ] - [ 0.0000860000000000, 0.0000000000000000, 0.0000020200000000 ] - [ 0.0000325800000000, 0.0000223700000000, -0.0000607800000000 ] - [ -0.0003574900000000, 0.0000891700000000, 0.0003913900000000 ] - [ -0.0003574900000000, -0.0000891700000000, 0.0003913900000000 ] - [ 0.0000982400000000, 0.0000000000000000, 0.0001606700000000 ] - [ -0.0000570700000000, -0.0000424200000000, 0.0000143400000000 ] - [ 0.0000527700000000, 0.0000579000000000, -0.0000071100000000 ] - [ 0.0000527700000000, -0.0000579000000000, -0.0000071100000000 ] - [ -0.0000570700000000, 0.0000424200000000, 0.0000143400000000 ] - [ 0.0005047100000000, 0.0000000000000000, -0.0020863400000000 ] - [ 0.0001490500000000, 0.0000172300000000, 0.0001198400000000 ] - [ 0.0001490500000000, -0.0000172300000000, 0.0001198400000000 ] - [ -0.0001375700000000, -0.0000788900000000, 0.0000795200000000 ] - [ -0.0001375700000000, 0.0000788900000000, 0.0000795200000000 ] - [ 0.0000148900000000, 0.0000000000000000, 0.0001532100000000 ] - [ -0.0034405700000000, -0.0007277300000000, 0.0002108700000000 ] - [ -0.0000817400000000, 0.0000709400000000, -0.0000566500000000 ] - [ -0.0000817400000000, -0.0000709400000000, -0.0000566500000000 ] - [ -0.0034405700000000, 0.0007277300000000, 0.0002108700000000 ] - [ 0.0000800700000000, 0.0000000000000000, 0.0001027600000000 ] - [ 0.0000364800000000, 0.0001225600000000, 0.0001016700000000 ] - [ 0.0000364800000000, -0.0001225600000000, 0.0001016700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000729300000000, 0.0001695500000000, -0.0000187300000000 ] - [ -0.0001324500000000, -0.0000289600000000, 0.0003157100000000 ] - [ -0.0001289900000000, 0.0000306300000000, -0.0001045500000000 ] - [ 0.0002399000000000, -0.0000523400000000, -0.0000431900000000 ] - [ -0.0000484200000000, 0.0000101300000000, 0.0001172400000000 ] - [ 0.0000102200000000, 0.0000062600000000, -0.0000530100000000 ] - [ 0.0000046000000000, -0.0000300800000000, -0.0000471900000000 ] - [ 0.0001808400000000, 0.0001010800000000, -0.0002168800000000 ] - [ 0.0001005400000000, 0.0000127400000000, -0.0000878300000000 ] - [ 0.0000758800000000, -0.0000221600000000, -0.0000512000000000 ] - [ -0.0000720900000000, -0.0000072600000000, -0.0000539300000000 ] - [ 0.0000748300000000, 0.0000157100000000, -0.0000511800000000 ] - [ -0.0000782200000000, 0.0000194100000000, -0.0000662800000000 ] - [ -0.0000074000000000, 0.0000073300000000, -0.0000453100000000 ] - [ -0.0000093300000000, -0.0000228600000000, -0.0000573200000000 ] - [ 0.0000835400000000, 0.0000201300000000, 0.0000055200000000 ] - [ -0.0000169800000000, -0.0001070100000000, 0.0000667400000000 ] - [ -0.0000130900000000, 0.0001029300000000, 0.0000757400000000 ] - [ -0.0002163200000000, 0.0000132200000000, -0.0000053800000000 ] - [ -0.0000911800000000, 0.0000025600000000, 0.0000495400000000 ] - [ 0.0001126700000000, 0.0000171500000000, 0.0001027100000000 ] - [ 0.0001042300000000, -0.0000263300000000, 0.0000984000000000 ] - [ -0.0001226100000000, -0.0000111000000000, 0.0001070100000000 ] - [ -0.0000138000000000, 0.0001774500000000, -0.0001038800000000 ] - [ 0.0002172400000000, 0.0001902300000000, 0.0002829700000000 ] - [ 0.0000441900000000, 0.0000233700000000, -0.0000131300000000 ] - [ 0.0000311200000000, 0.0000632800000000, 0.0000723900000000 ] - [ 0.0000268500000000, -0.0000981500000000, 0.0000849900000000 ] - [ -0.0000949300000000, 0.0014306100000000, 0.0000089400000000 ] - [ -0.0002199100000000, 0.0002248000000000, -0.0003375000000000 ] - [ -0.0000397100000000, 0.0001528300000000, 0.0000354000000000 ] - [ 0.0000627700000000, 0.0014450600000000, 0.0001175300000000 ] - [ -0.0000952600000000, -0.0000054500000000, -0.0000490300000000 ] - [ -0.0000597900000000, 0.0000829300000000, 0.0000428800000000 ] - [ -0.0000098500000000, -0.0001094300000000, -0.0000240900000000 ] - [ 0.0001684400000000, 0.0000019500000000, 0.0000686200000000 ] - [ -0.0000550900000000, -0.0001865500000000, 0.0000693000000000 ] - [ 0.0008080000000000, -0.0000844100000000, -0.0000425300000000 ] - [ -0.0008179400000000, -0.0001107400000000, -0.0000812100000000 ] - [ 0.0000739300000000, -0.0000600600000000, -0.0001954200000000 ] - [ 0.0000767700000000, -0.0000370900000000, -0.0001229500000000 ] - [ 0.0000509200000000, -0.0001031400000000, 0.0005306400000000 ] - [ -0.0000471100000000, -0.0001243600000000, -0.0002806800000000 ] - [ 0.0000997800000000, -0.0000884500000000, -0.0006802100000000 ] - [ -0.0001087700000000, -0.0000977500000000, 0.0001262800000000 ] - [ 0.0004324800000000, 0.0000524400000000, -0.0000408700000000 ] - [ -0.0004148500000000, 0.0000126500000000, -0.0000753800000000 ] - [ 0.0000838500000000, -0.0002240700000000, -0.0000052600000000 ] - [ 0.0000862500000000, -0.0004147300000000, -0.0003129000000000 ] - [ -0.0001587000000000, -0.0002503000000000, 0.0004249200000000 ] - [ -0.0002014800000000, 0.0000097800000000, 0.0000142100000000 ] - [ -0.0000791000000000, -0.0004453700000000, -0.0001735900000000 ] - [ 0.0010175500000000, 0.0117382400000000, -0.0082136100000000 ] - [ -0.0008298400000000, 0.0120346300000000, 0.0087709300000000 ] - [ -0.0001340600000000, -0.0004789500000000, 0.0002920900000000 ] - [ 0.0001001800000000, -0.0000098200000000, 0.0000513000000000 ] - [ 0.0000542500000000, -0.0000844700000000, 0.0000573500000000 ] - [ 0.0000736700000000, -0.0000492800000000, -0.0000369200000000 ] - [ -0.0001083600000000, -0.0001333400000000, -0.0003827200000000 ] - [ 0.0001671000000000, -0.0003312600000000, 0.0004852500000000 ] - [ -0.0000947800000000, -0.0000097900000000, 0.0000055800000000 ] - [ -0.0000948700000000, -0.0000410200000000, -0.0000914100000000 ] - [ -0.0001199500000000, -0.0000671400000000, -0.0002306700000000 ] - [ 0.0000532000000000, -0.0000107400000000, 0.0000980800000000 ] - [ 0.0000459800000000, -0.0268845900000000, -0.0004291500000000 ] - [ -0.0000901800000000, -0.0000293800000000, 0.0000081600000000 ] - [ 0.0000493500000000, 0.0000255400000000, -0.0001392100000000 ] - [ 0.0000583200000000, -0.0000307500000000, -0.0001524200000000 ] - [ 0.0000080400000000, -0.0000094000000000, 0.0000767800000000 ] - [ -0.0000532000000000, -0.0000342200000000, -0.0001493800000000 ] - [ -0.0000602700000000, 0.0000300100000000, -0.0001505800000000 ] - [ -0.0000265600000000, -0.0000089400000000, 0.0000936300000000 ] - [ 0.0000813300000000, -0.0001128900000000, 0.0000062900000000 ] - [ 0.0000038000000000, -0.0000232400000000, -0.0001909300000000 ] - [ 0.0000216600000000, 0.0000052500000000, 0.0000990000000000 ] - [ -0.0000740500000000, 0.0000515900000000, -0.0000270900000000 ] - [ 0.0009811100000000, 0.0012170500000000, 0.0000353700000000 ] - [ -0.0008655300000000, 0.0011453000000000, -0.0003250200000000 ] - [ -0.0000192400000000, -0.0000335100000000, -0.0000511800000000 ] - [ -0.0009183000000000, 0.0009921800000000, -0.0000513400000000 ] - [ 0.0008054800000000, 0.0010410600000000, -0.0002429700000000 ] - [ -0.0000247400000000, 0.0002956900000000, 0.0000862500000000 ] - [ 0.0000808100000000, 0.0000522100000000, -0.0000076800000000 ] - [ -0.0000030400000000, -0.0000081600000000, -0.0000499300000000 ] - [ -0.0003189100000000, -0.0009923900000000, -0.0038496400000000 ] - [ 0.0001387700000000, -0.0006030900000000, 0.0039946900000000 ] - [ -0.0001695300000000, -0.0000064000000000, 0.0000607500000000 ] - [ -0.0000658300000000, -0.0000397800000000, -0.0000196100000000 ] - [ 0.0000764400000000, 0.0000145600000000, 0.0000116100000000 ] - [ 0.0000465200000000, -0.0000665700000000, 0.0000488900000000 ] - [ -0.0000548100000000, 0.0000446100000000, 0.0000487900000000 ] - [ 0.0001547300000000, -0.0002171500000000, 0.0000737400000000 ] - [ 0.0000883000000000, 0.0001637400000000, -0.0001961900000000 ] - [ 0.0000956400000000, -0.0001594600000000, 0.0003648000000000 ] - [ -0.0001391200000000, 0.0000372400000000, 0.0000629300000000 ] - [ -0.0001376500000000, -0.0000304500000000, 0.0001952900000000 ] - [ 0.0001214000000000, 0.0001132000000000, 0.0001859600000000 ] - [ 0.0002648000000000, -0.0014180200000000, -0.0011971000000000 ] - [ 0.0002591400000000, 0.0009324000000000, 0.0000417500000000 ] - [ -0.0001576200000000, 0.0007884100000000, -0.0000429000000000 ] - [ -0.0003779300000000, -0.0013298200000000, 0.0012720100000000 ] - [ 0.0000498200000000, 0.0000641200000000, 0.0001172400000000 ] - [ 0.0000576600000000, 0.0004990600000000, -0.0002058100000000 ] - [ 0.0001597800000000, 0.0003198500000000, 0.0004118500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008271200000000, 0.0000000000000000, -0.0004637200000000 ] - [ 0.0000141000000000, 0.0002573400000000, -0.0004227600000000 ] - [ 0.0000141000000000, -0.0002573400000000, -0.0004227600000000 ] - [ 0.0006673600000000, 0.0000000000000000, 0.0000510000000000 ] - [ -0.0000910800000000, 0.0000000000000000, 0.0000138700000000 ] - [ 0.0000174500000000, 0.0000286000000000, -0.0000643700000000 ] - [ 0.0000174500000000, -0.0000286000000000, -0.0000643700000000 ] - [ 0.0000416500000000, 0.0000804000000000, -0.0002151700000000 ] - [ 0.0000416500000000, -0.0000804000000000, -0.0002151700000000 ] - [ 0.0000775200000000, -0.0000052300000000, -0.0001057700000000 ] - [ -0.0000860000000000, -0.0000060300000000, -0.0001338700000000 ] - [ 0.0000775200000000, 0.0000052300000000, -0.0001057700000000 ] - [ -0.0000860000000000, 0.0000060300000000, -0.0001338700000000 ] - [ -0.0000018900000000, 0.0000208100000000, -0.0000567100000000 ] - [ -0.0000018900000000, -0.0000208100000000, -0.0000567100000000 ] - [ 0.0001156300000000, 0.0000000000000000, -0.0000184400000000 ] - [ 0.0000142100000000, -0.0000977000000000, -0.0000107200000000 ] - [ 0.0000142100000000, 0.0000977000000000, -0.0000107200000000 ] - [ -0.0002377000000000, 0.0000000000000000, -0.0001061100000000 ] - [ -0.0000765400000000, -0.0000015100000000, -0.0000352100000000 ] - [ 0.0001039400000000, 0.0000214000000000, 0.0000295700000000 ] - [ 0.0001039400000000, -0.0000214000000000, 0.0000295700000000 ] - [ -0.0000765400000000, 0.0000015100000000, -0.0000352100000000 ] - [ -0.0002321300000000, 0.0004135900000000, -0.0005271200000000 ] - [ -0.0002321300000000, -0.0004135900000000, -0.0005271200000000 ] - [ -0.0001894200000000, 0.0000000000000000, -0.0000187400000000 ] - [ 0.0000114300000000, 0.0000122300000000, 0.0000091200000000 ] - [ 0.0000114300000000, -0.0000122300000000, 0.0000091200000000 ] - [ -0.0043106500000000, 0.0000000000000000, 0.0030534200000000 ] - [ -0.0001130800000000, 0.0002386100000000, -0.0004474300000000 ] - [ -0.0001130800000000, -0.0002386100000000, -0.0004474300000000 ] - [ 0.0040325900000000, 0.0000000000000000, 0.0037869600000000 ] - [ -0.0000269500000000, 0.0000000000000000, 0.0000010700000000 ] - [ -0.0000794400000000, 0.0000073500000000, 0.0000497300000000 ] - [ -0.0000794400000000, -0.0000073500000000, 0.0000497300000000 ] - [ 0.0001976100000000, 0.0000000000000000, 0.0000066700000000 ] - [ -0.0001335300000000, 0.0000000000000000, 0.0001623400000000 ] - [ 0.0000193700000000, 0.0000204200000000, 0.0001793800000000 ] - [ 0.0000193700000000, -0.0000204200000000, 0.0001793800000000 ] - [ 0.0001009200000000, 0.0000078500000000, -0.0001396600000000 ] - [ 0.0001009200000000, -0.0000078500000000, -0.0001396600000000 ] - [ 0.0000984800000000, 0.0000014600000000, 0.0007442300000000 ] - [ -0.0000954300000000, 0.0000549300000000, 0.0002103900000000 ] - [ 0.0000984800000000, -0.0000014600000000, 0.0007442300000000 ] - [ -0.0000954300000000, -0.0000549300000000, 0.0002103900000000 ] - [ 0.0000788800000000, 0.0000371900000000, 0.0000950700000000 ] - [ 0.0000788800000000, -0.0000371900000000, 0.0000950700000000 ] - [ 0.0001352900000000, 0.0000000000000000, 0.0000697000000000 ] - [ 0.0001232400000000, -0.0004850300000000, -0.0003077600000000 ] - [ 0.0001232400000000, 0.0004850300000000, -0.0003077600000000 ] - [ -0.0002797200000000, 0.0000000000000000, -0.0000346800000000 ] - [ -0.0000838100000000, -0.0005065300000000, -0.0000657200000000 ] - [ -0.0005687400000000, -0.0105933900000000, 0.0089330200000000 ] - [ -0.0005687400000000, 0.0105933900000000, 0.0089330200000000 ] - [ -0.0000838100000000, 0.0005065300000000, -0.0000657200000000 ] - [ 0.0001202200000000, 0.0000026600000000, 0.0000043300000000 ] - [ 0.0001202200000000, -0.0000026600000000, 0.0000043300000000 ] - [ 0.0002173300000000, 0.0000000000000000, -0.0000926200000000 ] - [ -0.0001280500000000, -0.0001473100000000, -0.0003741000000000 ] - [ -0.0001280500000000, 0.0001473100000000, -0.0003741000000000 ] - [ -0.0000762200000000, 0.0000000000000000, -0.0000346300000000 ] - [ -0.0001686200000000, 0.0000759500000000, -0.0002443900000000 ] - [ -0.0001686200000000, -0.0000759500000000, -0.0002443900000000 ] - [ 0.0000536300000000, 0.0000000000000000, 0.0000597000000000 ] - [ 0.0009833400000000, 0.0000000000000000, -0.0306037900000000 ] - [ -0.0001169100000000, 0.0000000000000000, 0.0001171700000000 ] - [ 0.0000393700000000, 0.0000411200000000, -0.0000875600000000 ] - [ 0.0000393700000000, -0.0000411200000000, -0.0000875600000000 ] - [ -0.0000000200000000, 0.0000108200000000, 0.0000870300000000 ] - [ -0.0000342000000000, -0.0000174200000000, -0.0000944100000000 ] - [ -0.0000342000000000, 0.0000174200000000, -0.0000944100000000 ] - [ -0.0000342300000000, 0.0000000000000000, 0.0001722200000000 ] - [ -0.0002508200000000, 0.0000000000000000, 0.0010734000000000 ] - [ -0.0000000200000000, -0.0000108200000000, 0.0000870300000000 ] - [ 0.0000215700000000, 0.0000000000000000, 0.0001385900000000 ] - [ -0.0000842000000000, 0.0000000000000000, 0.0000127200000000 ] - [ 0.0010328300000000, 0.0009674000000000, -0.0005431300000000 ] - [ 0.0010328300000000, -0.0009674000000000, -0.0005431300000000 ] - [ 0.0000073000000000, 0.0001225000000000, 0.0000422700000000 ] - [ -0.0009958300000000, 0.0008151000000000, -0.0004945500000000 ] - [ -0.0009958300000000, -0.0008151000000000, -0.0004945500000000 ] - [ -0.0000333800000000, 0.0000000000000000, -0.0002510300000000 ] - [ 0.0000867700000000, 0.0000000000000000, 0.0000301500000000 ] - [ 0.0000073000000000, -0.0001225000000000, 0.0000422700000000 ] - [ -0.0004029500000000, 0.0002779100000000, 0.0037088200000000 ] - [ -0.0004029500000000, -0.0002779100000000, 0.0037088200000000 ] - [ 0.0010450400000000, 0.0000000000000000, 0.0009804400000000 ] - [ -0.0000741100000000, -0.0000279200000000, 0.0001085400000000 ] - [ 0.0001006500000000, 0.0000157800000000, 0.0000572200000000 ] - [ 0.0001006500000000, -0.0000157800000000, 0.0000572200000000 ] - [ -0.0000741100000000, 0.0000279200000000, 0.0001085400000000 ] - [ 0.0012872100000000, 0.0000000000000000, 0.0016245200000000 ] - [ -0.0001196800000000, 0.0002753300000000, 0.0007338700000000 ] - [ -0.0001196800000000, -0.0002753300000000, 0.0007338700000000 ] - [ -0.0000500400000000, -0.0002908800000000, 0.0001633200000000 ] - [ -0.0000500400000000, 0.0002908800000000, 0.0001633200000000 ] - [ -0.0002214500000000, 0.0000000000000000, 0.0000267000000000 ] - [ 0.0001054500000000, -0.0031251200000000, -0.0010017000000000 ] - [ 0.0000614700000000, 0.0000945600000000, -0.0001902100000000 ] - [ 0.0000614700000000, -0.0000945600000000, -0.0001902100000000 ] - [ 0.0001054500000000, 0.0031251200000000, -0.0010017000000000 ] - [ -0.0001297100000000, 0.0000000000000000, 0.0003080300000000 ] - [ 0.0002419300000000, -0.0004298200000000, 0.0003739800000000 ] - [ 0.0002419300000000, 0.0004298200000000, 0.0003739800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006880600000000, 0.0000000000000000, 0.0004018800000000 ] - [ -0.0001799500000000, -0.0001874000000000, 0.0005216500000000 ] - [ -0.0001799500000000, 0.0001874000000000, 0.0005216500000000 ] - [ -0.0002706400000000, 0.0000000000000000, -0.0000154400000000 ] - [ -0.0000059700000000, 0.0000000000000000, 0.0001775600000000 ] - [ -0.0000171800000000, -0.0000028300000000, -0.0000544100000000 ] - [ -0.0000171800000000, 0.0000028300000000, -0.0000544100000000 ] - [ 0.0001875000000000, -0.0000372500000000, -0.0000993900000000 ] - [ 0.0001875000000000, 0.0000372500000000, -0.0000993900000000 ] - [ 0.0000709800000000, -0.0000094300000000, -0.0000240800000000 ] - [ -0.0000662600000000, -0.0000082900000000, 0.0000004200000000 ] - [ 0.0000709800000000, 0.0000094300000000, -0.0000240800000000 ] - [ -0.0000662600000000, 0.0000082900000000, 0.0000004200000000 ] - [ 0.0000010700000000, 0.0000210000000000, -0.0000616400000000 ] - [ 0.0000010700000000, -0.0000210000000000, -0.0000616400000000 ] - [ 0.0000319800000000, 0.0000000000000000, 0.0000172900000000 ] - [ -0.0000582000000000, -0.0000750100000000, 0.0001254100000000 ] - [ -0.0000582000000000, 0.0000750100000000, 0.0001254100000000 ] - [ -0.0001681600000000, 0.0000000000000000, 0.0000737500000000 ] - [ -0.0001364300000000, 0.0000325000000000, 0.0001858100000000 ] - [ 0.0001088800000000, -0.0000043700000000, 0.0001173100000000 ] - [ 0.0001088800000000, 0.0000043700000000, 0.0001173100000000 ] - [ -0.0001364300000000, -0.0000325000000000, 0.0001858100000000 ] - [ 0.0004556300000000, -0.0004158500000000, 0.0006732200000000 ] - [ 0.0004556300000000, 0.0004158500000000, 0.0006732200000000 ] - [ 0.0002787400000000, 0.0000000000000000, -0.0000227400000000 ] - [ 0.0000399200000000, 0.0001814400000000, 0.0001120000000000 ] - [ 0.0000399200000000, -0.0001814400000000, 0.0001120000000000 ] - [ 0.0042722300000000, 0.0000000000000000, -0.0030937300000000 ] - [ -0.0001632300000000, -0.0001912500000000, 0.0000940200000000 ] - [ -0.0001632300000000, 0.0001912500000000, 0.0000940200000000 ] - [ -0.0040933500000000, 0.0000000000000000, -0.0036588500000000 ] - [ -0.0001182700000000, 0.0000000000000000, -0.0000671800000000 ] - [ -0.0000995200000000, 0.0000445300000000, 0.0000643300000000 ] - [ -0.0000995200000000, -0.0000445300000000, 0.0000643300000000 ] - [ 0.0002070500000000, 0.0000000000000000, -0.0000005600000000 ] - [ -0.0000047200000000, 0.0000000000000000, 0.0000388000000000 ] - [ -0.0000610000000000, 0.0000089800000000, -0.0002843000000000 ] - [ -0.0000610000000000, -0.0000089800000000, -0.0002843000000000 ] - [ 0.0001312000000000, 0.0000290900000000, -0.0002123400000000 ] - [ 0.0001312000000000, -0.0000290900000000, -0.0002123400000000 ] - [ 0.0000533700000000, -0.0000235700000000, -0.0008326200000000 ] - [ -0.0000590900000000, -0.0000804600000000, -0.0002915600000000 ] - [ 0.0000533700000000, 0.0000235700000000, -0.0008326200000000 ] - [ -0.0000590900000000, 0.0000804600000000, -0.0002915600000000 ] - [ -0.0000345200000000, -0.0000082600000000, -0.0001991700000000 ] - [ -0.0000345200000000, 0.0000082600000000, -0.0001991700000000 ] - [ 0.0000645300000000, 0.0000000000000000, -0.0000724200000000 ] - [ -0.0001709400000000, 0.0003017700000000, 0.0004591500000000 ] - [ -0.0001709400000000, -0.0003017700000000, 0.0004591500000000 ] - [ -0.0000967200000000, 0.0000000000000000, 0.0001031600000000 ] - [ -0.0001341200000000, 0.0005312100000000, 0.0002552600000000 ] - [ 0.0007617500000000, 0.0102076800000000, -0.0084387200000000 ] - [ 0.0007617500000000, -0.0102076800000000, -0.0084387200000000 ] - [ -0.0001341200000000, -0.0005312100000000, 0.0002552600000000 ] - [ 0.0000139900000000, 0.0001092100000000, 0.0000639200000000 ] - [ 0.0000139900000000, -0.0001092100000000, 0.0000639200000000 ] - [ -0.0000696400000000, 0.0000000000000000, 0.0000261600000000 ] - [ 0.0001712400000000, 0.0003475400000000, 0.0005225600000000 ] - [ 0.0001712400000000, -0.0003475400000000, 0.0005225600000000 ] - [ -0.0000793600000000, 0.0000000000000000, 0.0000208400000000 ] - [ -0.0000413800000000, -0.0000615100000000, -0.0000893600000000 ] - [ -0.0000413800000000, 0.0000615100000000, -0.0000893600000000 ] - [ 0.0000439800000000, 0.0000000000000000, 0.0001095100000000 ] - [ -0.0008593800000000, 0.0000000000000000, 0.0303268500000000 ] - [ -0.0000435600000000, 0.0000000000000000, -0.0001396700000000 ] - [ 0.0000825700000000, 0.0000210700000000, -0.0002111500000000 ] - [ 0.0000825700000000, -0.0000210700000000, -0.0002111500000000 ] - [ 0.0000035100000000, -0.0000102000000000, -0.0001922300000000 ] - [ -0.0000766800000000, -0.0000408400000000, -0.0002019000000000 ] - [ -0.0000766800000000, 0.0000408400000000, -0.0002019000000000 ] - [ -0.0000158500000000, 0.0000000000000000, 0.0000015900000000 ] - [ 0.0004325500000000, 0.0000000000000000, -0.0010784800000000 ] - [ 0.0000035100000000, 0.0000102000000000, -0.0001922300000000 ] - [ 0.0000240800000000, 0.0000000000000000, 0.0000366900000000 ] - [ -0.0000750500000000, 0.0000000000000000, -0.0000342300000000 ] - [ -0.0009356500000000, -0.0009089100000000, 0.0002589900000000 ] - [ -0.0009356500000000, 0.0009089100000000, 0.0002589900000000 ] - [ -0.0000122800000000, -0.0001288300000000, -0.0001625400000000 ] - [ 0.0008942300000000, -0.0008742700000000, 0.0002076900000000 ] - [ 0.0008942300000000, 0.0008742700000000, 0.0002076900000000 ] - [ -0.0000140100000000, 0.0000000000000000, 0.0004355200000000 ] - [ 0.0000652800000000, 0.0000000000000000, -0.0000685900000000 ] - [ -0.0000122800000000, 0.0001288300000000, -0.0001625400000000 ] - [ 0.0001626700000000, -0.0004008800000000, -0.0034989600000000 ] - [ 0.0001626700000000, 0.0004008800000000, -0.0034989600000000 ] - [ -0.0010976400000000, 0.0000000000000000, -0.0007132700000000 ] - [ -0.0000409800000000, -0.0000926800000000, -0.0000593400000000 ] - [ 0.0000134400000000, 0.0001410800000000, -0.0000193100000000 ] - [ 0.0000134400000000, -0.0001410800000000, -0.0000193100000000 ] - [ -0.0000409800000000, 0.0000926800000000, -0.0000593400000000 ] - [ -0.0010095500000000, 0.0000000000000000, -0.0015063600000000 ] - [ 0.0003159200000000, 0.0000345800000000, -0.0005848700000000 ] - [ 0.0003159200000000, -0.0000345800000000, -0.0005848700000000 ] - [ -0.0001593800000000, 0.0000965100000000, 0.0000281800000000 ] - [ -0.0001593800000000, -0.0000965100000000, 0.0000281800000000 ] - [ 0.0000735200000000, 0.0000000000000000, 0.0001710600000000 ] - [ -0.0002306800000000, 0.0029727200000000, 0.0010294800000000 ] - [ 0.0000666300000000, 0.0000155500000000, 0.0002232500000000 ] - [ 0.0000666300000000, -0.0000155500000000, 0.0002232500000000 ] - [ -0.0002306800000000, -0.0029727200000000, 0.0010294800000000 ] - [ 0.0001208600000000, 0.0000000000000000, -0.0000194400000000 ] - [ 0.0000024900000000, 0.0004807100000000, -0.0001496300000000 ] - [ 0.0000024900000000, -0.0004807100000000, -0.0001496300000000 ]- atom: 66 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012898300000000, 0.0000000000000000, -0.0019730800000000 ] - [ 0.0020601000000000, -0.0055053100000000, 0.0027272300000000 ] - [ 0.0020601000000000, 0.0055053100000000, 0.0027272300000000 ] - [ 0.0000500300000000, 0.0000000000000000, 0.0005221000000000 ] - [ -0.0005145300000000, 0.0000000000000000, 0.0002656400000000 ] - [ -0.0000431700000000, 0.0000795600000000, 0.0001689100000000 ] - [ -0.0000431700000000, -0.0000795600000000, 0.0001689100000000 ] - [ 0.0029717100000000, -0.0032534500000000, 0.0003912200000000 ] - [ 0.0029717100000000, 0.0032534500000000, 0.0003912200000000 ] - [ 0.0000864400000000, -0.0000013200000000, -0.0000376300000000 ] - [ -0.0000257100000000, -0.0001389000000000, -0.0000541500000000 ] - [ 0.0000864400000000, 0.0000013200000000, -0.0000376300000000 ] - [ -0.0000257100000000, 0.0001389000000000, -0.0000541500000000 ] - [ 0.0000856300000000, 0.0000236500000000, 0.0000301800000000 ] - [ 0.0000856300000000, -0.0000236500000000, 0.0000301800000000 ] - [ 0.0009613000000000, 0.0000000000000000, -0.0009334000000000 ] - [ -0.0000240600000000, -0.0001059300000000, 0.0000734100000000 ] - [ -0.0000240600000000, 0.0001059300000000, 0.0000734100000000 ] - [ -0.0002047000000000, 0.0000000000000000, -0.0000008500000000 ] - [ -0.0000859200000000, -0.0000233600000000, 0.0001251800000000 ] - [ 0.0001066400000000, 0.0000221300000000, 0.0001042000000000 ] - [ 0.0001066400000000, -0.0000221300000000, 0.0001042000000000 ] - [ -0.0000859200000000, 0.0000233600000000, 0.0001251800000000 ] - [ 0.0000944100000000, 0.0000084500000000, 0.0000638300000000 ] - [ 0.0000944100000000, -0.0000084500000000, 0.0000638300000000 ] - [ 0.0000720600000000, 0.0000000000000000, -0.0000264900000000 ] - [ 0.0000348300000000, 0.0000805500000000, 0.0000754500000000 ] - [ 0.0000348300000000, -0.0000805500000000, 0.0000754500000000 ] - [ -0.0000757000000000, 0.0000000000000000, 0.0000111100000000 ] - [ -0.0001177900000000, 0.0000319700000000, -0.0001592500000000 ] - [ -0.0001177900000000, -0.0000319700000000, -0.0001592500000000 ] - [ 0.0000520100000000, 0.0000000000000000, 0.0001118700000000 ] - [ -0.0000770700000000, 0.0000000000000000, -0.0000347900000000 ] - [ -0.0000744300000000, 0.0000523300000000, 0.0000368400000000 ] - [ -0.0000744300000000, -0.0000523300000000, 0.0000368400000000 ] - [ 0.0001992000000000, 0.0000000000000000, 0.0000161400000000 ] - [ -0.0000461300000000, 0.0000000000000000, 0.0000868500000000 ] - [ 0.0000270300000000, 0.0000162600000000, -0.0000574100000000 ] - [ 0.0000270300000000, -0.0000162600000000, -0.0000574100000000 ] - [ 0.0001135300000000, 0.0000080800000000, -0.0001703700000000 ] - [ 0.0001135300000000, -0.0000080800000000, -0.0001703700000000 ] - [ 0.0000768300000000, -0.0000114700000000, -0.0000443200000000 ] - [ -0.0000724600000000, -0.0000101000000000, -0.0000477500000000 ] - [ 0.0000768300000000, 0.0000114700000000, -0.0000443200000000 ] - [ -0.0000724600000000, 0.0000101000000000, -0.0000477500000000 ] - [ -0.0000250400000000, 0.0000170800000000, -0.0000582200000000 ] - [ -0.0000250400000000, -0.0000170800000000, -0.0000582200000000 ] - [ 0.0000783300000000, 0.0000000000000000, -0.0000137400000000 ] - [ 0.0001685700000000, -0.0001374400000000, 0.0000688100000000 ] - [ 0.0001685700000000, 0.0001374400000000, 0.0000688100000000 ] - [ -0.0002046800000000, 0.0000000000000000, 0.0000367900000000 ] - [ -0.0001162000000000, 0.0000141900000000, 0.0000583600000000 ] - [ 0.0001098100000000, 0.0001369100000000, 0.0002195600000000 ] - [ 0.0001098100000000, -0.0001369100000000, 0.0002195600000000 ] - [ -0.0001162000000000, -0.0000141900000000, 0.0000583600000000 ] - [ 0.0001688900000000, -0.0000065400000000, 0.0001332700000000 ] - [ 0.0001688900000000, 0.0000065400000000, 0.0001332700000000 ] - [ 0.0000573400000000, 0.0000000000000000, -0.0000331800000000 ] - [ -0.0003714200000000, 0.0000774600000000, 0.0001439300000000 ] - [ -0.0003714200000000, -0.0000774600000000, 0.0001439300000000 ] - [ -0.0000970100000000, 0.0000000000000000, 0.0000500200000000 ] - [ 0.0000475200000000, -0.0001631000000000, -0.0000846200000000 ] - [ 0.0000475200000000, 0.0001631000000000, -0.0000846200000000 ] - [ 0.0000644600000000, 0.0000000000000000, 0.0001472300000000 ] - [ 0.0000318500000000, 0.0000000000000000, 0.0000539600000000 ] - [ -0.0181413200000000, 0.0000000000000000, 0.0035506300000000 ] - [ 0.0000506400000000, 0.0000167500000000, -0.0001759700000000 ] - [ 0.0000506400000000, -0.0000167500000000, -0.0001759700000000 ] - [ -0.0002543100000000, -0.0008242900000000, 0.0007721500000000 ] - [ -0.0000523500000000, -0.0000327600000000, -0.0001429200000000 ] - [ -0.0000523500000000, 0.0000327600000000, -0.0001429200000000 ] - [ -0.0001624500000000, 0.0000000000000000, 0.0004295900000000 ] - [ 0.0000836200000000, 0.0000000000000000, -0.0000045100000000 ] - [ -0.0002543100000000, 0.0008242900000000, 0.0007721500000000 ] - [ 0.0000346900000000, 0.0000000000000000, 0.0000994500000000 ] - [ -0.0000780800000000, 0.0000000000000000, -0.0000180200000000 ] - [ 0.0000697200000000, 0.0000465900000000, -0.0001324100000000 ] - [ 0.0000697200000000, -0.0000465900000000, -0.0001324100000000 ] - [ -0.0000002300000000, -0.0000052400000000, -0.0000574800000000 ] - [ -0.0000679700000000, -0.0000125800000000, -0.0001635600000000 ] - [ -0.0000679700000000, 0.0000125800000000, -0.0001635600000000 ] - [ -0.0000227200000000, 0.0000000000000000, 0.0000976200000000 ] - [ 0.0002199500000000, 0.0000000000000000, -0.0000020700000000 ] - [ -0.0000002300000000, 0.0000052400000000, -0.0000574800000000 ] - [ 0.0005433400000000, -0.0001879000000000, -0.0030094000000000 ] - [ 0.0005433400000000, 0.0001879000000000, -0.0030094000000000 ] - [ 0.0085042200000000, 0.0000000000000000, 0.0003105300000000 ] - [ -0.0001419300000000, -0.0001455400000000, -0.0001360300000000 ] - [ -0.0000953200000000, 0.0002702600000000, -0.0024344700000000 ] - [ -0.0000953200000000, -0.0002702600000000, -0.0024344700000000 ] - [ -0.0001419300000000, 0.0001455400000000, -0.0001360300000000 ] - [ 0.0000636700000000, 0.0000000000000000, 0.0000989700000000 ] - [ 0.0001088700000000, 0.0000935700000000, 0.0000774400000000 ] - [ 0.0001088700000000, -0.0000935700000000, 0.0000774400000000 ] - [ -0.0001289500000000, -0.0000300800000000, 0.0001013400000000 ] - [ -0.0001289500000000, 0.0000300800000000, 0.0001013400000000 ] - [ 0.0000116600000000, 0.0000000000000000, 0.0001331600000000 ] - [ -0.0000557300000000, -0.0000398000000000, 0.0000114200000000 ] - [ 0.0000584300000000, 0.0000358800000000, 0.0000024400000000 ] - [ 0.0000584300000000, -0.0000358800000000, 0.0000024400000000 ] - [ -0.0000557300000000, 0.0000398000000000, 0.0000114200000000 ] - [ -0.0004176800000000, 0.0000000000000000, 0.0001600600000000 ] - [ 0.0001938000000000, 0.0000788800000000, 0.0000100200000000 ] - [ 0.0001938000000000, -0.0000788800000000, 0.0000100200000000 ]- atom: 66 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011885100000000, 0.0000000000000000, 0.0020559000000000 ] - [ -0.0021842800000000, 0.0052050000000000, -0.0024575600000000 ] - [ -0.0021842800000000, -0.0052050000000000, -0.0024575600000000 ] - [ 0.0004461900000000, 0.0000000000000000, -0.0006293300000000 ] - [ 0.0004330400000000, 0.0000000000000000, -0.0000097100000000 ] - [ 0.0001512900000000, -0.0000421000000000, -0.0002701900000000 ] - [ 0.0001512900000000, 0.0000421000000000, -0.0002701900000000 ] - [ -0.0028092300000000, 0.0035253200000000, -0.0006814100000000 ] - [ -0.0028092300000000, -0.0035253200000000, -0.0006814100000000 ] - [ 0.0000567600000000, -0.0000165500000000, -0.0000797800000000 ] - [ -0.0001177500000000, 0.0001353500000000, -0.0000732400000000 ] - [ 0.0000567600000000, 0.0000165500000000, -0.0000797800000000 ] - [ -0.0001177500000000, -0.0001353500000000, -0.0000732400000000 ] - [ -0.0002056800000000, -0.0000003100000000, -0.0001377100000000 ] - [ -0.0002056800000000, 0.0000003100000000, -0.0001377100000000 ] - [ -0.0008058800000000, 0.0000000000000000, 0.0008262300000000 ] - [ -0.0000335600000000, -0.0001066900000000, 0.0000540300000000 ] - [ -0.0000335600000000, 0.0001066900000000, 0.0000540300000000 ] - [ -0.0002461700000000, 0.0000000000000000, -0.0000424100000000 ] - [ -0.0001262000000000, 0.0000232700000000, 0.0000057200000000 ] - [ 0.0001127600000000, 0.0000131700000000, 0.0000591200000000 ] - [ 0.0001127600000000, -0.0000131700000000, 0.0000591200000000 ] - [ -0.0001262000000000, -0.0000232700000000, 0.0000057200000000 ] - [ 0.0001278300000000, -0.0000313200000000, 0.0001059100000000 ] - [ 0.0001278300000000, 0.0000313200000000, 0.0001059100000000 ] - [ 0.0000581800000000, 0.0000000000000000, -0.0000110100000000 ] - [ 0.0000400500000000, 0.0000774800000000, 0.0000593000000000 ] - [ 0.0000400500000000, -0.0000774800000000, 0.0000593000000000 ] - [ -0.0000787900000000, 0.0000000000000000, -0.0000041400000000 ] - [ -0.0001531700000000, 0.0000513100000000, -0.0001581300000000 ] - [ -0.0001531700000000, -0.0000513100000000, -0.0001581300000000 ] - [ 0.0000443700000000, 0.0000000000000000, 0.0001199900000000 ] - [ -0.0000811100000000, 0.0000000000000000, -0.0000233600000000 ] - [ -0.0000785500000000, 0.0000445100000000, 0.0000480100000000 ] - [ -0.0000785500000000, -0.0000445100000000, 0.0000480100000000 ] - [ 0.0001980100000000, 0.0000000000000000, 0.0000147600000000 ] - [ -0.0000574300000000, 0.0000000000000000, 0.0000973100000000 ] - [ 0.0000226600000000, 0.0000003200000000, -0.0000544100000000 ] - [ 0.0000226600000000, -0.0000003200000000, -0.0000544100000000 ] - [ 0.0001089900000000, 0.0000117300000000, -0.0001575900000000 ] - [ 0.0001089900000000, -0.0000117300000000, -0.0001575900000000 ] - [ 0.0000735900000000, 0.0000006100000000, -0.0000629500000000 ] - [ -0.0000744300000000, -0.0000091000000000, -0.0000631900000000 ] - [ 0.0000735900000000, -0.0000006100000000, -0.0000629500000000 ] - [ -0.0000744300000000, 0.0000091000000000, -0.0000631900000000 ] - [ -0.0000159600000000, 0.0000230000000000, -0.0000512500000000 ] - [ -0.0000159600000000, -0.0000230000000000, -0.0000512500000000 ] - [ 0.0000895800000000, 0.0000000000000000, -0.0000052300000000 ] - [ -0.0002481400000000, -0.0000323200000000, 0.0000792600000000 ] - [ -0.0002481400000000, 0.0000323200000000, 0.0000792600000000 ] - [ -0.0002121400000000, 0.0000000000000000, -0.0000143700000000 ] - [ -0.0000980400000000, 0.0000098900000000, 0.0001084900000000 ] - [ 0.0001007100000000, -0.0001217200000000, -0.0000953700000000 ] - [ 0.0001007100000000, 0.0001217200000000, -0.0000953700000000 ] - [ -0.0000980400000000, -0.0000098900000000, 0.0001084900000000 ] - [ 0.0000015500000000, 0.0000828400000000, -0.0000314300000000 ] - [ 0.0000015500000000, -0.0000828400000000, -0.0000314300000000 ] - [ 0.0001180400000000, 0.0000000000000000, -0.0000338300000000 ] - [ 0.0004280300000000, 0.0001107200000000, -0.0000131200000000 ] - [ 0.0004280300000000, -0.0001107200000000, -0.0000131200000000 ] - [ -0.0000618000000000, 0.0000000000000000, -0.0000337700000000 ] - [ -0.0002655600000000, 0.0001982400000000, -0.0002099400000000 ] - [ -0.0002655600000000, -0.0001982400000000, -0.0002099400000000 ] - [ 0.0000261500000000, 0.0000000000000000, 0.0000670100000000 ] - [ 0.0000189600000000, 0.0000000000000000, 0.0001248100000000 ] - [ 0.0179792600000000, 0.0000000000000000, -0.0034844800000000 ] - [ 0.0000777400000000, 0.0000393900000000, -0.0001300500000000 ] - [ 0.0000777400000000, -0.0000393900000000, -0.0001300500000000 ] - [ 0.0002821100000000, 0.0008474000000000, -0.0008955500000000 ] - [ -0.0000750000000000, -0.0000373000000000, -0.0001687100000000 ] - [ -0.0000750000000000, 0.0000373000000000, -0.0001687100000000 ] - [ 0.0001077500000000, 0.0000000000000000, -0.0002470200000000 ] - [ 0.0000892500000000, 0.0000000000000000, 0.0000137200000000 ] - [ 0.0002821100000000, -0.0008474000000000, -0.0008955500000000 ] - [ 0.0000168200000000, 0.0000000000000000, 0.0000925600000000 ] - [ -0.0000834300000000, 0.0000000000000000, -0.0000051700000000 ] - [ 0.0000515700000000, 0.0000176600000000, -0.0001678800000000 ] - [ 0.0000515700000000, -0.0000176600000000, -0.0001678800000000 ] - [ -0.0000075400000000, -0.0000085000000000, -0.0000541600000000 ] - [ -0.0000467100000000, -0.0000472400000000, -0.0001335100000000 ] - [ -0.0000467100000000, 0.0000472400000000, -0.0001335100000000 ] - [ -0.0000230800000000, 0.0000000000000000, 0.0000882800000000 ] - [ -0.0000498500000000, 0.0000000000000000, -0.0000085900000000 ] - [ -0.0000075400000000, 0.0000085000000000, -0.0000541600000000 ] - [ -0.0007172300000000, -0.0003209900000000, 0.0031097000000000 ] - [ -0.0007172300000000, 0.0003209900000000, 0.0031097000000000 ] - [ -0.0090129900000000, 0.0000000000000000, -0.0002844200000000 ] - [ 0.0000322400000000, 0.0000940900000000, 0.0000987900000000 ] - [ 0.0002326400000000, -0.0002355400000000, 0.0024801100000000 ] - [ 0.0002326400000000, 0.0002355400000000, 0.0024801100000000 ] - [ 0.0000322400000000, -0.0000940900000000, 0.0000987900000000 ] - [ 0.0001837600000000, 0.0000000000000000, 0.0000622800000000 ] - [ 0.0000946000000000, 0.0001950000000000, 0.0000913000000000 ] - [ 0.0000946000000000, -0.0001950000000000, 0.0000913000000000 ] - [ -0.0001176500000000, -0.0000640000000000, 0.0001086800000000 ] - [ -0.0001176500000000, 0.0000640000000000, 0.0001086800000000 ] - [ -0.0000132100000000, 0.0000000000000000, 0.0001329400000000 ] - [ -0.0000620600000000, -0.0000276300000000, 0.0000417500000000 ] - [ 0.0000479400000000, 0.0000421800000000, 0.0000059900000000 ] - [ 0.0000479400000000, -0.0000421800000000, 0.0000059900000000 ] - [ -0.0000620600000000, 0.0000276300000000, 0.0000417500000000 ] - [ 0.0004028500000000, 0.0000000000000000, 0.0001158100000000 ] - [ 0.0000562400000000, 0.0000122600000000, 0.0002035900000000 ] - [ 0.0000562400000000, -0.0000122600000000, 0.0002035900000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000565700000000, 0.0005017500000000, 0.0000034200000000 ] - [ -0.0015805100000000, 0.0047866300000000, -0.0019219100000000 ] - [ 0.0015357500000000, 0.0048332100000000, 0.0020395300000000 ] - [ 0.0002103800000000, 0.0001280100000000, -0.0000097900000000 ] - [ -0.0000487700000000, 0.0004550600000000, 0.0001085500000000 ] - [ -0.0000337500000000, 0.0000221800000000, -0.0002711800000000 ] - [ 0.0000042700000000, -0.0000202600000000, 0.0001784300000000 ] - [ -0.0021618800000000, 0.0040816700000000, -0.0008909300000000 ] - [ 0.0022480400000000, 0.0039350500000000, 0.0005628000000000 ] - [ 0.0000725200000000, -0.0000291700000000, -0.0000790200000000 ] - [ -0.0000990700000000, 0.0001196800000000, -0.0000569800000000 ] - [ 0.0000864100000000, 0.0000011000000000, -0.0000328800000000 ] - [ -0.0000572000000000, 0.0001405600000000, -0.0000428200000000 ] - [ -0.0001161800000000, 0.0001302400000000, 0.0000001800000000 ] - [ 0.0001450700000000, 0.0001077100000000, -0.0000986200000000 ] - [ 0.0000829700000000, 0.0002258200000000, -0.0000411100000000 ] - [ -0.0000202700000000, -0.0000892400000000, 0.0000584000000000 ] - [ -0.0000179100000000, 0.0000926100000000, 0.0000621900000000 ] - [ -0.0002028700000000, 0.0000040200000000, -0.0000005300000000 ] - [ -0.0001080200000000, 0.0000332400000000, 0.0001193200000000 ] - [ 0.0001056200000000, 0.0000031700000000, 0.0000259600000000 ] - [ 0.0001062300000000, -0.0000335600000000, 0.0001256400000000 ] - [ -0.0001033400000000, 0.0000074800000000, 0.0000540800000000 ] - [ 0.0000919700000000, 0.0000329900000000, 0.0000577300000000 ] - [ 0.0000843500000000, -0.0000335700000000, 0.0000484200000000 ] - [ 0.0000594200000000, -0.0000037700000000, -0.0000328400000000 ] - [ 0.0000201800000000, 0.0000968300000000, 0.0000548500000000 ] - [ 0.0000142900000000, -0.0000830100000000, 0.0000612200000000 ] - [ -0.0000871500000000, 0.0000183100000000, 0.0000023500000000 ] - [ -0.0001112100000000, 0.0000200600000000, -0.0001534800000000 ] - [ -0.0001099300000000, -0.0000063100000000, -0.0001670300000000 ] - [ 0.0000534800000000, 0.0000155500000000, 0.0001053100000000 ] - [ -0.0000480200000000, 0.0000044300000000, -0.0000163800000000 ] - [ -0.0001004800000000, 0.0000120100000000, 0.0000715400000000 ] - [ -0.0001054900000000, -0.0000138900000000, 0.0000779900000000 ] - [ 0.0002129100000000, 0.0000013600000000, -0.0000146900000000 ] - [ -0.0000525200000000, -0.0000157200000000, 0.0001106000000000 ] - [ -0.0000034800000000, 0.0000147400000000, -0.0000606400000000 ] - [ -0.0000139600000000, -0.0000121500000000, -0.0000398700000000 ] - [ 0.0001276800000000, 0.0000124800000000, -0.0001618000000000 ] - [ 0.0001277200000000, -0.0000184400000000, -0.0001549100000000 ] - [ 0.0000815400000000, 0.0000131200000000, 0.0000256700000000 ] - [ -0.0000793000000000, -0.0000309000000000, -0.0001443100000000 ] - [ 0.0000749800000000, 0.0000337100000000, -0.0001397600000000 ] - [ -0.0000745600000000, -0.0000041100000000, 0.0000349800000000 ] - [ 0.0000183100000000, 0.0000171600000000, -0.0000367200000000 ] - [ -0.0000010500000000, -0.0000198400000000, -0.0000635200000000 ] - [ 0.0000881500000000, -0.0000115600000000, -0.0000010200000000 ] - [ -0.0003302000000000, -0.0003518100000000, 0.0002361400000000 ] - [ 0.0002878900000000, -0.0001736800000000, -0.0001173900000000 ] - [ -0.0001951700000000, 0.0000058100000000, 0.0000146600000000 ] - [ -0.0001329300000000, -0.0000889300000000, 0.0001588200000000 ] - [ -0.0000073500000000, 0.0000791700000000, 0.0000016200000000 ] - [ 0.0002219600000000, 0.0000568700000000, 0.0001455300000000 ] - [ -0.0000794100000000, -0.0001257200000000, 0.0000037300000000 ] - [ 0.0001624700000000, 0.0000244000000000, 0.0001305300000000 ] - [ -0.0000182500000000, -0.0000967400000000, -0.0000552200000000 ] - [ 0.0000704900000000, -0.0000514500000000, -0.0000443800000000 ] - [ 0.0002123600000000, -0.0000068900000000, 0.0002906800000000 ] - [ -0.0001768400000000, -0.0002028200000000, -0.0001814900000000 ] - [ -0.0000840100000000, -0.0000966600000000, 0.0000058000000000 ] - [ 0.0000582400000000, -0.0003144300000000, -0.0000393900000000 ] - [ -0.0002499800000000, -0.0003179500000000, -0.0002890300000000 ] - [ 0.0000522100000000, -0.0001096500000000, 0.0000987200000000 ] - [ 0.0000242000000000, -0.0000312000000000, 0.0000890100000000 ] - [ -0.0000631600000000, -0.0135444700000000, 0.0000112200000000 ] - [ 0.0000202900000000, 0.0000016700000000, -0.0002223600000000 ] - [ 0.0000900300000000, -0.0000590700000000, -0.0000678800000000 ] - [ -0.0001247400000000, 0.0009842200000000, -0.0007428600000000 ] - [ -0.0000199100000000, -0.0000437300000000, -0.0002553400000000 ] - [ -0.0000866000000000, 0.0000152800000000, -0.0000355500000000 ] - [ -0.0000265800000000, -0.0001114100000000, 0.0000902300000000 ] - [ 0.0000811800000000, 0.0000013400000000, -0.0000098300000000 ] - [ 0.0001283600000000, 0.0009713400000000, 0.0006411600000000 ] - [ 0.0000246800000000, 0.0000506100000000, 0.0000886900000000 ] - [ -0.0000841300000000, 0.0000008700000000, -0.0000023300000000 ] - [ 0.0000630100000000, 0.0000113300000000, -0.0002762600000000 ] - [ 0.0000459700000000, -0.0000522500000000, -0.0000147600000000 ] - [ 0.0000049600000000, 0.0000013800000000, -0.0000530200000000 ] - [ -0.0000722500000000, -0.0000434000000000, -0.0003275400000000 ] - [ -0.0000322000000000, 0.0000124400000000, 0.0000335700000000 ] - [ -0.0000233100000000, 0.0000493900000000, 0.0000941700000000 ] - [ 0.0000770800000000, 0.0002071800000000, -0.0000141700000000 ] - [ 0.0000034200000000, -0.0000040500000000, -0.0000533100000000 ] - [ -0.0008300200000000, -0.0006007900000000, 0.0027590100000000 ] - [ 0.0005972600000000, -0.0003987000000000, -0.0025699300000000 ] - [ -0.0000782300000000, -0.0068270900000000, 0.0001049200000000 ] - [ 0.0000061100000000, 0.0001908300000000, -0.0000255000000000 ] - [ 0.0000132500000000, -0.0000218500000000, -0.0024164600000000 ] - [ 0.0001071000000000, -0.0001563500000000, 0.0024437100000000 ] - [ -0.0001136700000000, 0.0003288000000000, 0.0000298700000000 ] - [ 0.0000440200000000, -0.0000149800000000, 0.0001113600000000 ] - [ 0.0001301600000000, 0.0000945800000000, 0.0000874800000000 ] - [ 0.0001137100000000, -0.0000678400000000, 0.0000901900000000 ] - [ -0.0001042700000000, -0.0001453100000000, 0.0001024500000000 ] - [ -0.0000962700000000, 0.0001397600000000, 0.0000623600000000 ] - [ -0.0001291500000000, 0.0000116600000000, 0.0000759700000000 ] - [ -0.0000529200000000, -0.0000491300000000, -0.0000258000000000 ] - [ 0.0000558400000000, 0.0000543200000000, -0.0000237400000000 ] - [ 0.0000617200000000, -0.0000594100000000, 0.0000718900000000 ] - [ -0.0000597100000000, 0.0000432300000000, 0.0000640600000000 ] - [ -0.0000091500000000, 0.0005071100000000, 0.0001408800000000 ] - [ 0.0000424500000000, 0.0004528600000000, 0.0002190400000000 ] - [ 0.0002212500000000, 0.0003948600000000, 0.0000096100000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0040298700000000, 0.0000000000000000, 0.0129229300000000 ] - [ -0.0001731500000000, 0.0005106000000000, 0.0004357100000000 ] - [ -0.0001731500000000, -0.0005106000000000, 0.0004357100000000 ] - [ 0.0003951000000000, 0.0000000000000000, 0.0003888900000000 ] - [ -0.0001674600000000, 0.0000000000000000, 0.0004354300000000 ] - [ 0.0002726600000000, -0.0000367700000000, 0.0001406000000000 ] - [ 0.0002726600000000, 0.0000367700000000, 0.0001406000000000 ] - [ 0.0001115400000000, -0.0005035400000000, 0.0009239000000000 ] - [ 0.0001115400000000, 0.0005035400000000, 0.0009239000000000 ] - [ 0.0000397400000000, 0.0000184300000000, 0.0000014000000000 ] - [ 0.0002707300000000, -0.0003975800000000, 0.0000080300000000 ] - [ 0.0000397400000000, -0.0000184300000000, 0.0000014000000000 ] - [ 0.0002707300000000, 0.0003975800000000, 0.0000080300000000 ] - [ 0.0001073400000000, 0.0000030800000000, -0.0000687300000000 ] - [ 0.0001073400000000, -0.0000030800000000, -0.0000687300000000 ] - [ 0.0002248300000000, 0.0000000000000000, 0.0182811500000000 ] - [ -0.0000504000000000, -0.0000645000000000, 0.0000169800000000 ] - [ -0.0000504000000000, 0.0000645000000000, 0.0000169800000000 ] - [ -0.0002534600000000, 0.0000000000000000, 0.0000349400000000 ] - [ -0.0001988300000000, 0.0001484900000000, -0.0004024300000000 ] - [ 0.0000940400000000, -0.0000378800000000, -0.0000333500000000 ] - [ 0.0000940400000000, 0.0000378800000000, -0.0000333500000000 ] - [ -0.0001988300000000, -0.0001484900000000, -0.0004024300000000 ] - [ 0.0000690600000000, 0.0000594400000000, -0.0000076000000000 ] - [ 0.0000690600000000, -0.0000594400000000, -0.0000076000000000 ] - [ 0.0001630300000000, 0.0000000000000000, -0.0000704300000000 ] - [ 0.0000400000000000, 0.0001486400000000, -0.0000045300000000 ] - [ 0.0000400000000000, -0.0001486400000000, -0.0000045300000000 ] - [ -0.0000588700000000, 0.0000000000000000, -0.0000246500000000 ] - [ -0.0000734400000000, 0.0000296800000000, -0.0001729000000000 ] - [ -0.0000734400000000, -0.0000296800000000, -0.0001729000000000 ] - [ 0.0000417700000000, 0.0000000000000000, 0.0000556800000000 ] - [ -0.0000830100000000, 0.0000000000000000, 0.0000216000000000 ] - [ -0.0001659100000000, -0.0000634700000000, 0.0001318000000000 ] - [ -0.0001659100000000, 0.0000634700000000, 0.0001318000000000 ] - [ 0.0002822600000000, 0.0000000000000000, -0.0000744100000000 ] - [ -0.0000283900000000, 0.0000000000000000, 0.0001136600000000 ] - [ 0.0000826000000000, -0.0000032400000000, -0.0000813800000000 ] - [ 0.0000826000000000, 0.0000032400000000, -0.0000813800000000 ] - [ 0.0001901800000000, 0.0000558300000000, -0.0001538800000000 ] - [ 0.0001901800000000, -0.0000558300000000, -0.0001538800000000 ] - [ 0.0000593800000000, 0.0000313100000000, -0.0003247600000000 ] - [ -0.0000791000000000, -0.0000224000000000, -0.0001367600000000 ] - [ 0.0000593800000000, -0.0000313100000000, -0.0003247600000000 ] - [ -0.0000791000000000, 0.0000224000000000, -0.0001367600000000 ] - [ -0.0000767200000000, 0.0000198700000000, -0.0000710900000000 ] - [ -0.0000767200000000, -0.0000198700000000, -0.0000710900000000 ] - [ 0.0000603700000000, 0.0000000000000000, -0.0000213000000000 ] - [ 0.0001541100000000, 0.0002526900000000, 0.0000910100000000 ] - [ 0.0001541100000000, -0.0002526900000000, 0.0000910100000000 ] - [ -0.0001818000000000, 0.0000000000000000, 0.0000171300000000 ] - [ -0.0000769500000000, 0.0000531500000000, 0.0000609200000000 ] - [ 0.0003794700000000, -0.0001581400000000, -0.0000412100000000 ] - [ 0.0003794700000000, 0.0001581400000000, -0.0000412100000000 ] - [ -0.0000769500000000, -0.0000531500000000, 0.0000609200000000 ] - [ 0.0001093400000000, 0.0000023700000000, 0.0001268300000000 ] - [ 0.0001093400000000, -0.0000023700000000, 0.0001268300000000 ] - [ 0.0000677600000000, 0.0000000000000000, 0.0000081200000000 ] - [ -0.0000465600000000, 0.0001155100000000, 0.0001255500000000 ] - [ -0.0000465600000000, -0.0001155100000000, 0.0001255500000000 ] - [ -0.0001438800000000, 0.0000000000000000, 0.0000151400000000 ] - [ -0.0001458000000000, -0.0000178300000000, -0.0000833500000000 ] - [ -0.0001458000000000, 0.0000178300000000, -0.0000833500000000 ] - [ 0.0000264600000000, 0.0000000000000000, 0.0001525900000000 ] - [ 0.0000066500000000, 0.0000000000000000, 0.0002159800000000 ] - [ 0.0034248300000000, 0.0000000000000000, -0.0333871100000000 ] - [ 0.0000495300000000, -0.0001216400000000, -0.0001672800000000 ] - [ 0.0000495300000000, 0.0001216400000000, -0.0001672800000000 ] - [ 0.0003217000000000, -0.0003164000000000, -0.0002014400000000 ] - [ -0.0000664200000000, -0.0002094700000000, -0.0000199600000000 ] - [ -0.0000664200000000, 0.0002094700000000, -0.0000199600000000 ] - [ 0.0014318200000000, 0.0000000000000000, 0.0011836400000000 ] - [ 0.0000883900000000, 0.0000000000000000, 0.0000306000000000 ] - [ 0.0003217000000000, 0.0003164000000000, -0.0002014400000000 ] - [ 0.0000355600000000, 0.0000000000000000, 0.0001029900000000 ] - [ -0.0000999000000000, 0.0000000000000000, 0.0000360700000000 ] - [ 0.0000483100000000, -0.0000585400000000, -0.0001594000000000 ] - [ 0.0000483100000000, 0.0000585400000000, -0.0001594000000000 ] - [ 0.0000183600000000, 0.0000001700000000, -0.0000074800000000 ] - [ -0.0000518600000000, -0.0001405900000000, -0.0000197200000000 ] - [ -0.0000518600000000, 0.0001405900000000, -0.0000197200000000 ] - [ -0.0000187100000000, 0.0000000000000000, 0.0001208100000000 ] - [ 0.0000794500000000, 0.0000000000000000, -0.0000383100000000 ] - [ 0.0000183600000000, -0.0000001700000000, -0.0000074800000000 ] - [ -0.0028414100000000, 0.0017833700000000, 0.0003141300000000 ] - [ -0.0028414100000000, -0.0017833700000000, 0.0003141300000000 ] - [ -0.0010381300000000, 0.0000000000000000, -0.0014280000000000 ] - [ 0.0000358600000000, 0.0000901000000000, -0.0000398100000000 ] - [ -0.0023558900000000, -0.0029389700000000, -0.0006687700000000 ] - [ -0.0023558900000000, 0.0029389700000000, -0.0006687700000000 ] - [ 0.0000358600000000, -0.0000901000000000, -0.0000398100000000 ] - [ -0.0001853500000000, 0.0000000000000000, 0.0002793800000000 ] - [ 0.0001572300000000, -0.0000541900000000, 0.0003947600000000 ] - [ 0.0001572300000000, 0.0000541900000000, 0.0003947600000000 ] - [ -0.0000988800000000, -0.0002149600000000, 0.0001076400000000 ] - [ -0.0000988800000000, 0.0002149600000000, 0.0001076400000000 ] - [ -0.0002400700000000, 0.0000000000000000, 0.0000557700000000 ] - [ -0.0000758900000000, -0.0000258900000000, 0.0002223800000000 ] - [ 0.0000485000000000, 0.0000265300000000, 0.0000670200000000 ] - [ 0.0000485000000000, -0.0000265300000000, 0.0000670200000000 ] - [ -0.0000758900000000, 0.0000258900000000, 0.0002223800000000 ] - [ 0.0001993500000000, 0.0000000000000000, -0.0000244400000000 ] - [ -0.0001116900000000, 0.0003956900000000, -0.0000047400000000 ] - [ -0.0001116900000000, -0.0003956900000000, -0.0000047400000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0040797700000000, 0.0000000000000000, -0.0136435500000000 ] - [ -0.0000608400000000, -0.0004411600000000, -0.0002777000000000 ] - [ -0.0000608400000000, 0.0004411600000000, -0.0002777000000000 ] - [ 0.0000524100000000, 0.0000000000000000, -0.0004230100000000 ] - [ 0.0000815900000000, 0.0000000000000000, -0.0002124900000000 ] - [ -0.0002436400000000, 0.0000686300000000, -0.0002362400000000 ] - [ -0.0002436400000000, -0.0000686300000000, -0.0002362400000000 ] - [ 0.0001778900000000, 0.0004956400000000, -0.0012305700000000 ] - [ 0.0001778900000000, -0.0004956400000000, -0.0012305700000000 ] - [ 0.0001112800000000, -0.0000416200000000, -0.0001171500000000 ] - [ -0.0004201200000000, 0.0003901900000000, -0.0001381700000000 ] - [ 0.0001112800000000, 0.0000416200000000, -0.0001171500000000 ] - [ -0.0004201200000000, -0.0003901900000000, -0.0001381700000000 ] - [ -0.0001322800000000, 0.0000312700000000, -0.0000285700000000 ] - [ -0.0001322800000000, -0.0000312700000000, -0.0000285700000000 ] - [ -0.0001458100000000, 0.0000000000000000, -0.0173083900000000 ] - [ -0.0000044500000000, -0.0001399400000000, 0.0001150600000000 ] - [ -0.0000044500000000, 0.0001399400000000, 0.0001150600000000 ] - [ -0.0001441200000000, 0.0000000000000000, -0.0000143400000000 ] - [ -0.0000171700000000, -0.0001465100000000, 0.0005649800000000 ] - [ 0.0001165400000000, 0.0000746500000000, 0.0001683100000000 ] - [ 0.0001165400000000, -0.0000746500000000, 0.0001683100000000 ] - [ -0.0000171700000000, 0.0001465100000000, 0.0005649800000000 ] - [ 0.0000808000000000, 0.0000188600000000, 0.0000929800000000 ] - [ 0.0000808000000000, -0.0000188600000000, 0.0000929800000000 ] - [ -0.0000110900000000, 0.0000000000000000, -0.0000430200000000 ] - [ 0.0000075100000000, 0.0000171300000000, 0.0001213500000000 ] - [ 0.0000075100000000, -0.0000171300000000, 0.0001213500000000 ] - [ -0.0000933100000000, 0.0000000000000000, 0.0000673200000000 ] - [ -0.0001176000000000, 0.0000280900000000, -0.0001169900000000 ] - [ -0.0001176000000000, -0.0000280900000000, -0.0001169900000000 ] - [ 0.0000445600000000, 0.0000000000000000, 0.0001722000000000 ] - [ -0.0000233700000000, 0.0000000000000000, -0.0000233800000000 ] - [ -0.0000635400000000, 0.0000757400000000, 0.0000593400000000 ] - [ -0.0000635400000000, -0.0000757400000000, 0.0000593400000000 ] - [ 0.0001779000000000, 0.0000000000000000, 0.0000285800000000 ] - [ -0.0000517800000000, 0.0000000000000000, 0.0001054200000000 ] - [ -0.0000402900000000, 0.0000205200000000, -0.0000237400000000 ] - [ -0.0000402900000000, -0.0000205200000000, -0.0000237400000000 ] - [ 0.0000866800000000, -0.0000270800000000, -0.0001491600000000 ] - [ 0.0000866800000000, 0.0000270800000000, -0.0001491600000000 ] - [ 0.0000919800000000, -0.0000526200000000, 0.0001945600000000 ] - [ -0.0000693400000000, 0.0000099300000000, -0.0000110800000000 ] - [ 0.0000919800000000, 0.0000526200000000, 0.0001945600000000 ] - [ -0.0000693400000000, -0.0000099300000000, -0.0000110800000000 ] - [ 0.0000347400000000, 0.0000286200000000, -0.0000322300000000 ] - [ 0.0000347400000000, -0.0000286200000000, -0.0000322300000000 ] - [ 0.0000848400000000, 0.0000000000000000, -0.0000073800000000 ] - [ -0.0002084200000000, -0.0004560400000000, 0.0000264900000000 ] - [ -0.0002084200000000, 0.0004560400000000, 0.0000264900000000 ] - [ -0.0002631000000000, 0.0000000000000000, -0.0000562200000000 ] - [ -0.0001321200000000, -0.0000452800000000, 0.0000616000000000 ] - [ -0.0001640700000000, 0.0001872600000000, 0.0001733200000000 ] - [ -0.0001640700000000, -0.0001872600000000, 0.0001733200000000 ] - [ -0.0001321200000000, 0.0000452800000000, 0.0000616000000000 ] - [ 0.0000976600000000, 0.0000095200000000, 0.0000291600000000 ] - [ 0.0000976600000000, -0.0000095200000000, 0.0000291600000000 ] - [ 0.0000591600000000, 0.0000000000000000, -0.0000704900000000 ] - [ 0.0001054000000000, 0.0000500900000000, -0.0000110900000000 ] - [ 0.0001054000000000, -0.0000500900000000, -0.0000110900000000 ] - [ -0.0000140100000000, 0.0000000000000000, 0.0000137000000000 ] - [ -0.0000987500000000, 0.0000811400000000, -0.0002051800000000 ] - [ -0.0000987500000000, -0.0000811400000000, -0.0002051800000000 ] - [ 0.0000665500000000, 0.0000000000000000, 0.0001001400000000 ] - [ 0.0000442000000000, 0.0000000000000000, -0.0000350000000000 ] - [ -0.0036024700000000, 0.0000000000000000, 0.0330005900000000 ] - [ 0.0000678300000000, 0.0001839800000000, -0.0001309700000000 ] - [ 0.0000678300000000, -0.0001839800000000, -0.0001309700000000 ] - [ -0.0003190600000000, 0.0003137200000000, 0.0000921600000000 ] - [ -0.0000453600000000, 0.0001492500000000, -0.0002765400000000 ] - [ -0.0000453600000000, -0.0001492500000000, -0.0002765400000000 ] - [ -0.0014733800000000, 0.0000000000000000, -0.0009929900000000 ] - [ 0.0000649000000000, 0.0000000000000000, -0.0000610600000000 ] - [ -0.0003190600000000, -0.0003137200000000, 0.0000921600000000 ] - [ 0.0000154000000000, 0.0000000000000000, 0.0000765900000000 ] - [ -0.0000769000000000, 0.0000000000000000, -0.0000259700000000 ] - [ 0.0000703200000000, 0.0001221200000000, -0.0001398800000000 ] - [ 0.0000703200000000, -0.0001221200000000, -0.0001398800000000 ] - [ -0.0000004100000000, 0.0000079000000000, -0.0001025800000000 ] - [ -0.0000622800000000, 0.0000817000000000, -0.0002816800000000 ] - [ -0.0000622800000000, -0.0000817000000000, -0.0002816800000000 ] - [ -0.0000272500000000, 0.0000000000000000, 0.0000591700000000 ] - [ 0.0000871100000000, 0.0000000000000000, 0.0000386400000000 ] - [ -0.0000004100000000, -0.0000079000000000, -0.0001025800000000 ] - [ 0.0026392700000000, -0.0020654700000000, -0.0001139500000000 ] - [ 0.0026392700000000, 0.0020654700000000, -0.0001139500000000 ] - [ 0.0008174400000000, 0.0000000000000000, 0.0016243900000000 ] - [ -0.0001537200000000, -0.0001841900000000, 0.0000697900000000 ] - [ 0.0024739600000000, 0.0030299200000000, 0.0006987100000000 ] - [ 0.0024739600000000, -0.0030299200000000, 0.0006987100000000 ] - [ -0.0001537200000000, 0.0001841900000000, 0.0000697900000000 ] - [ 0.0001074400000000, 0.0000000000000000, 0.0000404600000000 ] - [ 0.0001204400000000, 0.0000874300000000, -0.0001835700000000 ] - [ 0.0001204400000000, -0.0000874300000000, -0.0001835700000000 ] - [ -0.0000909500000000, -0.0001409500000000, 0.0000482500000000 ] - [ -0.0000909500000000, 0.0001409500000000, 0.0000482500000000 ] - [ -0.0000651600000000, 0.0000000000000000, 0.0000849900000000 ] - [ -0.0000318900000000, -0.0000493100000000, -0.0002251100000000 ] - [ 0.0000565600000000, 0.0000761900000000, -0.0000368600000000 ] - [ 0.0000565600000000, -0.0000761900000000, -0.0000368600000000 ] - [ -0.0000318900000000, 0.0000493100000000, -0.0002251100000000 ] - [ -0.0000362100000000, 0.0000000000000000, 0.0002357000000000 ] - [ 0.0003395400000000, -0.0001644900000000, 0.0001876700000000 ] - [ 0.0003395400000000, 0.0001644900000000, 0.0001876700000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000582100000000, 0.0000118900000000, -0.0000131900000000 ] - [ -0.0000670800000000, 0.0000648600000000, 0.0000533600000000 ] - [ -0.0000962200000000, -0.0000195700000000, 0.0000796600000000 ] - [ 0.0002144900000000, 0.0000069900000000, -0.0000061400000000 ] - [ 0.0001445300000000, 0.0000018500000000, 0.0000777000000000 ] - [ 0.0000469100000000, 0.0000019000000000, -0.0000347700000000 ] - [ 0.0009290400000000, 0.0000622400000000, 0.0001705600000000 ] - [ 0.0000818600000000, 0.0000099700000000, -0.0001541300000000 ] - [ 0.0002739500000000, -0.0000594500000000, -0.0001158000000000 ] - [ 0.0042241300000000, -0.0045875300000000, 0.0024307500000000 ] - [ -0.0000638100000000, -0.0001603200000000, 0.0000192800000000 ] - [ 0.0000921600000000, 0.0001598500000000, 0.0000172900000000 ] - [ 0.0073548200000000, 0.0083944800000000, 0.0015748100000000 ] - [ -0.0002071900000000, -0.0000207500000000, 0.0002081600000000 ] - [ -0.0000351600000000, -0.0000071700000000, -0.0000318000000000 ] - [ -0.0001989300000000, -0.0000994600000000, 0.0001804600000000 ] - [ -0.0005756700000000, -0.0000308600000000, 0.0002926700000000 ] - [ -0.0000556200000000, 0.0000663000000000, 0.0001077000000000 ] - [ -0.0000410600000000, 0.0000574600000000, 0.0001729600000000 ] - [ 0.0015453300000000, -0.0011621100000000, 0.0017088700000000 ] - [ 0.0001230400000000, -0.0003771100000000, 0.0003419400000000 ] - [ 0.0053796200000000, 0.0043020900000000, 0.0013105000000000 ] - [ -0.0000610100000000, 0.0003589200000000, 0.0003161900000000 ] - [ 0.0001837300000000, -0.0001339700000000, 0.0003613700000000 ] - [ 0.0001319400000000, 0.0000601100000000, 0.0001977000000000 ] - [ -0.0001043800000000, 0.0000752100000000, 0.0001477900000000 ] - [ 0.0012545600000000, -0.0000921700000000, -0.0006484100000000 ] - [ 0.0000615800000000, -0.0000663000000000, 0.0001147700000000 ] - [ -0.0000727700000000, 0.0000021300000000, 0.0000132000000000 ] - [ -0.0001415900000000, 0.0000259000000000, -0.0001617300000000 ] - [ -0.0001064200000000, 0.0000186100000000, -0.0001287100000000 ] - [ 0.0000459800000000, -0.0000009100000000, 0.0001488100000000 ] - [ 0.0001001300000000, -0.0001156400000000, 0.0002575200000000 ] - [ -0.0001267000000000, -0.0000731600000000, 0.0002195600000000 ] - [ -0.0001370100000000, 0.0001134600000000, 0.0003484300000000 ] - [ 0.0000672500000000, -0.0000722700000000, 0.0000655700000000 ] - [ -0.0000373000000000, 0.0000011300000000, 0.0001289300000000 ] - [ 0.0000431600000000, 0.0000012600000000, -0.0000481600000000 ] - [ 0.0000214900000000, -0.0000013600000000, -0.0000560500000000 ] - [ 0.0001689200000000, -0.0000579400000000, -0.0001046100000000 ] - [ 0.0001546300000000, -0.0000161500000000, -0.0001691300000000 ] - [ 0.0000701200000000, -0.0000156200000000, -0.0000310700000000 ] - [ -0.0000694200000000, -0.0000055900000000, -0.0000534400000000 ] - [ 0.0000713500000000, 0.0000129000000000, -0.0000406900000000 ] - [ -0.0000682600000000, 0.0000054900000000, -0.0000380400000000 ] - [ -0.0000207300000000, 0.0000046500000000, -0.0000567400000000 ] - [ -0.0000381000000000, -0.0000124300000000, -0.0000482800000000 ] - [ 0.0000687900000000, -0.0000017600000000, 0.0000076000000000 ] - [ -0.0000276500000000, -0.0001026600000000, 0.0000824400000000 ] - [ -0.0000267200000000, 0.0001018000000000, 0.0000722400000000 ] - [ -0.0002246800000000, -0.0000141200000000, -0.0000080600000000 ] - [ -0.0001035300000000, 0.0000036300000000, 0.0000912600000000 ] - [ 0.0001068700000000, 0.0000188100000000, 0.0000997500000000 ] - [ 0.0001054900000000, -0.0000185900000000, 0.0000990500000000 ] - [ -0.0001081600000000, -0.0000029400000000, 0.0000958700000000 ] - [ 0.0000957800000000, -0.0000024600000000, 0.0000872100000000 ] - [ 0.0000981700000000, -0.0000398000000000, 0.0000616500000000 ] - [ 0.0000710700000000, -0.0000086500000000, -0.0000286200000000 ] - [ 0.0000263200000000, 0.0000821500000000, 0.0000812300000000 ] - [ 0.0000272200000000, -0.0000811300000000, 0.0000710500000000 ] - [ 0.0001143700000000, -0.0000032500000000, 0.0000360500000000 ] - [ -0.0002537500000000, 0.0000909800000000, -0.0001326500000000 ] - [ -0.0000756700000000, -0.0000252000000000, -0.0001255700000000 ] - [ -0.0002067900000000, 0.0000852000000000, 0.0002181100000000 ] - [ 0.0000208600000000, -0.0000025600000000, 0.0000726600000000 ] - [ -0.0001001700000000, -0.0000377900000000, -0.0000144400000000 ] - [ -0.0231596100000000, -0.0070905600000000, 0.0025451200000000 ] - [ -0.0002217700000000, -0.0000175000000000, -0.0001033900000000 ] - [ 0.0000011800000000, -0.0000031200000000, -0.0000653500000000 ] - [ 0.0038524800000000, 0.0001118300000000, -0.0000845100000000 ] - [ 0.0002104600000000, 0.0000212100000000, -0.0001037600000000 ] - [ -0.0000016400000000, -0.0008638300000000, 0.0010191600000000 ] - [ 0.0000717900000000, -0.0000197300000000, -0.0000106800000000 ] - [ -0.0000027300000000, 0.0000033500000000, -0.0000428900000000 ] - [ -0.0000213100000000, 0.0009239300000000, 0.0010660100000000 ] - [ -0.0000764100000000, 0.0000073000000000, -0.0000177400000000 ] - [ 0.0000670800000000, 0.0000315300000000, -0.0001583500000000 ] - [ 0.0000639800000000, -0.0000312000000000, -0.0001602200000000 ] - [ -0.0000952100000000, 0.0000134600000000, 0.0007043000000000 ] - [ -0.0000664000000000, -0.0000316300000000, -0.0001601900000000 ] - [ -0.0000627800000000, 0.0000308700000000, -0.0001601700000000 ] - [ -0.0000215800000000, 0.0000009000000000, 0.0000693200000000 ] - [ 0.0000956300000000, 0.0000312800000000, 0.0000095000000000 ] - [ 0.0000006700000000, 0.0000001600000000, -0.0000533900000000 ] - [ -0.0001446100000000, -0.0001332700000000, 0.0000582800000000 ] - [ -0.0001026900000000, 0.0000398300000000, 0.0001175300000000 ] - [ -0.0000850600000000, 0.0000160100000000, 0.0001411200000000 ] - [ -0.0001195100000000, 0.0008517200000000, -0.0037547300000000 ] - [ -0.0003159000000000, -0.0009255400000000, -0.0036243500000000 ] - [ -0.0000105900000000, -0.0000065500000000, -0.0002212800000000 ] - [ -0.0000155400000000, 0.0000035800000000, -0.0002385900000000 ] - [ 0.0004670600000000, -0.0000443100000000, -0.0000655100000000 ] - [ -0.0000735800000000, 0.0002701400000000, -0.0001155800000000 ] - [ -0.0001581900000000, -0.0002809100000000, -0.0032894300000000 ] - [ 0.0000101600000000, -0.0003547200000000, -0.0000999600000000 ] - [ 0.0000995600000000, 0.0006335300000000, -0.0033532100000000 ] - [ -0.0005009300000000, 0.0000544100000000, -0.0001472900000000 ] - [ -0.0000310000000000, -0.0000668700000000, 0.0000217600000000 ] - [ 0.0000250300000000, 0.0000791100000000, 0.0000185000000000 ] - [ 0.0000428400000000, -0.0000423400000000, -0.0000080600000000 ] - [ -0.0000504400000000, 0.0000503500000000, 0.0000019900000000 ] - [ 0.0000735500000000, -0.0000513300000000, 0.0001096200000000 ] - [ 0.0001593400000000, 0.0001576800000000, 0.0000377100000000 ] - [ 0.0000868000000000, -0.0000422000000000, 0.0001262300000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000801500000000, -0.0000015500000000, -0.0000390600000000 ] - [ -0.0000958500000000, 0.0000237300000000, 0.0000499700000000 ] - [ -0.0000652600000000, -0.0000732800000000, 0.0000073000000000 ] - [ 0.0001701100000000, -0.0000004200000000, 0.0000394100000000 ] - [ -0.0002566200000000, -0.0000071800000000, 0.0001204000000000 ] - [ -0.0000448100000000, 0.0000251700000000, -0.0000729800000000 ] - [ -0.0009230400000000, -0.0000850200000000, -0.0002628700000000 ] - [ 0.0001383900000000, 0.0000122300000000, -0.0001812100000000 ] - [ -0.0000594900000000, 0.0000456700000000, -0.0002114500000000 ] - [ -0.0038514600000000, 0.0043678800000000, -0.0025814000000000 ] - [ -0.0000885300000000, 0.0001335400000000, -0.0001386800000000 ] - [ 0.0000573800000000, -0.0001424300000000, -0.0001345600000000 ] - [ -0.0072436600000000, -0.0080559200000000, -0.0017508300000000 ] - [ 0.0002296800000000, 0.0000665200000000, -0.0003137500000000 ] - [ 0.0000382400000000, -0.0000321400000000, -0.0000742100000000 ] - [ 0.0003747100000000, 0.0000980500000000, -0.0001936800000000 ] - [ 0.0005341700000000, -0.0001527200000000, -0.0001695600000000 ] - [ 0.0000088400000000, 0.0001092400000000, 0.0000238100000000 ] - [ -0.0003525600000000, -0.0000565100000000, -0.0001583500000000 ] - [ -0.0018826500000000, 0.0013032900000000, -0.0015436000000000 ] - [ 0.0000917900000000, 0.0003997300000000, -0.0001925300000000 ] - [ -0.0053739200000000, -0.0045504300000000, -0.0011284100000000 ] - [ -0.0001532200000000, -0.0003922100000000, -0.0001602900000000 ] - [ -0.0000100900000000, 0.0001976900000000, -0.0002614800000000 ] - [ 0.0000414800000000, -0.0001150400000000, -0.0000911900000000 ] - [ 0.0002272800000000, -0.0000739400000000, -0.0002083400000000 ] - [ -0.0012124200000000, 0.0002749100000000, 0.0007388900000000 ] - [ -0.0000179600000000, -0.0001286600000000, 0.0000153200000000 ] - [ -0.0001047300000000, 0.0000054100000000, -0.0000050500000000 ] - [ -0.0000910700000000, 0.0000100200000000, -0.0001641400000000 ] - [ -0.0001312900000000, -0.0000470100000000, -0.0002001500000000 ] - [ 0.0000697400000000, 0.0000094700000000, 0.0000628400000000 ] - [ -0.0002281900000000, 0.0001187300000000, -0.0003017300000000 ] - [ -0.0000658700000000, 0.0001037400000000, -0.0000789200000000 ] - [ -0.0000548900000000, -0.0001524700000000, -0.0002211100000000 ] - [ 0.0003486900000000, 0.0000770000000000, -0.0000707500000000 ] - [ -0.0000656500000000, -0.0000088900000000, 0.0000823600000000 ] - [ -0.0000540000000000, 0.0000254300000000, -0.0000562300000000 ] - [ -0.0000326400000000, -0.0000244400000000, -0.0000458400000000 ] - [ 0.0000829800000000, 0.0000921700000000, -0.0002143500000000 ] - [ 0.0000924000000000, -0.0000262100000000, -0.0001449000000000 ] - [ 0.0000829500000000, -0.0000061100000000, -0.0000701000000000 ] - [ -0.0000789800000000, -0.0000210900000000, -0.0000685700000000 ] - [ 0.0000775900000000, 0.0000243000000000, -0.0000544700000000 ] - [ -0.0000829700000000, 0.0000033400000000, -0.0000842700000000 ] - [ 0.0000303900000000, 0.0000320900000000, -0.0000453500000000 ] - [ 0.0000489900000000, -0.0000257800000000, -0.0000571900000000 ] - [ 0.0000910600000000, -0.0000060700000000, -0.0000072900000000 ] - [ -0.0000217500000000, -0.0001118400000000, 0.0000427900000000 ] - [ -0.0000062000000000, 0.0001023600000000, 0.0000639600000000 ] - [ -0.0002109800000000, 0.0000165600000000, -0.0000251400000000 ] - [ -0.0001112000000000, 0.0000007300000000, 0.0000388700000000 ] - [ 0.0001074900000000, 0.0000261000000000, 0.0000704600000000 ] - [ 0.0001096400000000, -0.0000120600000000, 0.0000746100000000 ] - [ -0.0001069300000000, -0.0000156600000000, 0.0000545400000000 ] - [ 0.0001219700000000, -0.0000073400000000, 0.0000774600000000 ] - [ 0.0001188900000000, 0.0000479000000000, 0.0000952500000000 ] - [ 0.0000534000000000, 0.0000102900000000, -0.0000121400000000 ] - [ 0.0000300200000000, 0.0000751300000000, 0.0000480600000000 ] - [ 0.0000178700000000, -0.0000844000000000, 0.0000692700000000 ] - [ -0.0002762100000000, 0.0000009000000000, -0.0000279100000000 ] - [ -0.0000123400000000, -0.0000269700000000, -0.0001861000000000 ] - [ -0.0001950100000000, -0.0000428600000000, -0.0001906900000000 ] - [ 0.0003031400000000, -0.0000861400000000, 0.0000096200000000 ] - [ 0.0000256400000000, 0.0000035300000000, 0.0001136800000000 ] - [ -0.0000602700000000, 0.0000374600000000, -0.0000070400000000 ] - [ 0.0230668200000000, 0.0071541100000000, -0.0027889700000000 ] - [ 0.0003380100000000, -0.0000444100000000, -0.0001932500000000 ] - [ -0.0000072700000000, -0.0000088800000000, -0.0000473700000000 ] - [ -0.0039619800000000, -0.0001718500000000, -0.0002138700000000 ] - [ -0.0003248500000000, 0.0000390500000000, -0.0001928100000000 ] - [ -0.0000466200000000, 0.0008654800000000, -0.0008467900000000 ] - [ 0.0000907800000000, 0.0000201200000000, -0.0000083800000000 ] - [ -0.0000031500000000, 0.0000068200000000, -0.0000681600000000 ] - [ 0.0000696400000000, -0.0009238100000000, -0.0008846000000000 ] - [ -0.0000885400000000, -0.0000073700000000, 0.0000088600000000 ] - [ 0.0000437600000000, 0.0000291800000000, -0.0001310100000000 ] - [ 0.0000425600000000, -0.0000280200000000, -0.0001335000000000 ] - [ 0.0000933100000000, -0.0000129600000000, -0.0008138900000000 ] - [ -0.0000447200000000, -0.0000289700000000, -0.0001354200000000 ] - [ -0.0000436900000000, 0.0000300600000000, -0.0001353400000000 ] - [ -0.0000270900000000, -0.0000025700000000, 0.0001121000000000 ] - [ 0.0000744900000000, -0.0000338400000000, -0.0000106800000000 ] - [ 0.0000038400000000, -0.0000023600000000, -0.0000597100000000 ] - [ -0.0000910800000000, 0.0000112700000000, 0.0001557300000000 ] - [ -0.0001375900000000, 0.0000833700000000, 0.0000933100000000 ] - [ 0.0000364200000000, -0.0000196800000000, 0.0000876700000000 ] - [ -0.0000201900000000, -0.0009664300000000, 0.0037987600000000 ] - [ 0.0004165100000000, 0.0010390300000000, 0.0036435900000000 ] - [ 0.0001306000000000, -0.0001120500000000, 0.0002308700000000 ] - [ -0.0001053000000000, 0.0001140000000000, 0.0002631500000000 ] - [ -0.0003483800000000, 0.0000427500000000, 0.0002717500000000 ] - [ 0.0002932600000000, -0.0001188700000000, 0.0003230700000000 ] - [ 0.0003862000000000, 0.0001149700000000, 0.0035008300000000 ] - [ -0.0002229300000000, 0.0001496100000000, 0.0002925500000000 ] - [ -0.0003071000000000, -0.0004214400000000, 0.0035505300000000 ] - [ 0.0003452300000000, -0.0000537800000000, 0.0003279600000000 ] - [ -0.0000869500000000, -0.0000566200000000, 0.0000104800000000 ] - [ 0.0000922100000000, 0.0000447200000000, 0.0000128800000000 ] - [ 0.0000783900000000, -0.0000669300000000, 0.0000400200000000 ] - [ -0.0000695700000000, 0.0000710400000000, 0.0000268800000000 ] - [ 0.0001584400000000, 0.0000587300000000, 0.0000401500000000 ] - [ 0.0000415400000000, 0.0001098000000000, 0.0001357200000000 ] - [ 0.0001129300000000, -0.0002107900000000, 0.0000458800000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000915700000000, 0.0000127400000000, -0.0000268800000000 ] - [ -0.0001608500000000, 0.0000196700000000, 0.0000731900000000 ] - [ -0.0001390200000000, 0.0000039000000000, 0.0001200000000000 ] - [ 0.0002160100000000, 0.0000112900000000, 0.0000070200000000 ] - [ -0.0001739200000000, -0.0001794200000000, 0.0005379400000000 ] - [ 0.0000335800000000, -0.0000196500000000, -0.0000529700000000 ] - [ 0.0004397400000000, 0.0000475500000000, 0.0000700000000000 ] - [ 0.0001205800000000, -0.0000311500000000, -0.0000660300000000 ] - [ 0.0002208400000000, -0.0000318400000000, 0.0000330700000000 ] - [ -0.0031546200000000, 0.0049315400000000, -0.0025446300000000 ] - [ -0.0000812000000000, -0.0002091800000000, 0.0001536700000000 ] - [ 0.0000776300000000, -0.0001920300000000, -0.0002588600000000 ] - [ 0.0073069100000000, 0.0087928600000000, 0.0018495400000000 ] - [ 0.0001569900000000, 0.0001621800000000, 0.0000567500000000 ] - [ 0.0000061100000000, -0.0000469900000000, -0.0000309700000000 ] - [ 0.0001915400000000, -0.0002151200000000, 0.0004644900000000 ] - [ -0.0000617900000000, 0.0005562100000000, 0.0000716500000000 ] - [ -0.0000400800000000, -0.0000414400000000, 0.0000778900000000 ] - [ -0.0004539100000000, 0.0000986400000000, -0.0000838300000000 ] - [ -0.0011656700000000, 0.0020637900000000, -0.0016403500000000 ] - [ 0.0000959300000000, -0.0004020100000000, 0.0003885200000000 ] - [ 0.0044006100000000, 0.0045428300000000, 0.0016036100000000 ] - [ -0.0001274900000000, -0.0004170300000000, -0.0001939600000000 ] - [ -0.0000419700000000, 0.0002065200000000, -0.0002261300000000 ] - [ 0.0000803000000000, -0.0000997300000000, -0.0000930500000000 ] - [ 0.0005990000000000, 0.0000218000000000, -0.0001569800000000 ] - [ 0.0000313200000000, 0.0012789900000000, 0.0002752100000000 ] - [ 0.0000013200000000, -0.0002332200000000, 0.0000547600000000 ] - [ -0.0001145500000000, -0.0000004700000000, -0.0000048100000000 ] - [ -0.0000558200000000, 0.0000266500000000, -0.0001599200000000 ] - [ -0.0000667600000000, -0.0000225200000000, -0.0001650700000000 ] - [ 0.0000804800000000, 0.0000109600000000, 0.0000765200000000 ] - [ 0.0003900500000000, -0.0000917100000000, 0.0002792000000000 ] - [ -0.0001511600000000, -0.0000817700000000, 0.0002601200000000 ] - [ -0.0001616800000000, 0.0001655300000000, 0.0003545400000000 ] - [ -0.0001890600000000, 0.0003195600000000, -0.0001545500000000 ] - [ -0.0000205000000000, 0.0000018700000000, 0.0001412900000000 ] - [ 0.0000119500000000, 0.0000167000000000, -0.0000521100000000 ] - [ 0.0000036300000000, -0.0000019400000000, -0.0000471500000000 ] - [ 0.0001915000000000, 0.0000272500000000, -0.0001666400000000 ] - [ 0.0002030500000000, -0.0000129600000000, -0.0001548800000000 ] - [ 0.0000781400000000, -0.0000036100000000, -0.0000667400000000 ] - [ -0.0000691700000000, -0.0000172200000000, -0.0000562300000000 ] - [ 0.0000758200000000, 0.0000198400000000, -0.0000678000000000 ] - [ -0.0000729800000000, 0.0000019400000000, -0.0000459300000000 ] - [ -0.0000237200000000, 0.0000272300000000, -0.0000597700000000 ] - [ -0.0000386100000000, -0.0000170500000000, -0.0000617200000000 ] - [ 0.0000588500000000, -0.0000023500000000, -0.0000058200000000 ] - [ -0.0000157500000000, -0.0001007200000000, 0.0000543800000000 ] - [ -0.0000102600000000, 0.0000934900000000, 0.0000539800000000 ] - [ -0.0002030700000000, 0.0000032200000000, -0.0000179700000000 ] - [ -0.0001062600000000, 0.0000037800000000, 0.0000636000000000 ] - [ 0.0001079100000000, 0.0000193500000000, 0.0000735400000000 ] - [ 0.0001057000000000, -0.0000129200000000, 0.0000768800000000 ] - [ -0.0001041800000000, -0.0000203700000000, 0.0000706900000000 ] - [ 0.0000672900000000, 0.0000149700000000, 0.0000238700000000 ] - [ 0.0000672600000000, -0.0000248800000000, 0.0000507700000000 ] - [ 0.0000187400000000, -0.0000037600000000, -0.0000268000000000 ] - [ 0.0000201700000000, 0.0000803800000000, 0.0000616600000000 ] - [ 0.0000170300000000, -0.0000896200000000, 0.0000726700000000 ] - [ 0.0001695200000000, -0.0001196800000000, -0.0002981400000000 ] - [ -0.0000883800000000, -0.0000352700000000, -0.0003862800000000 ] - [ -0.0001068700000000, -0.0000597100000000, -0.0002427000000000 ] - [ -0.0000102100000000, -0.0002100800000000, -0.0003825700000000 ] - [ 0.0000316000000000, -0.0000001900000000, 0.0000977600000000 ] - [ -0.0000974800000000, -0.0000284000000000, -0.0001467900000000 ] - [ -0.0071572300000000, -0.0200836900000000, 0.0008823300000000 ] - [ 0.0000495600000000, 0.0003244200000000, -0.0001475000000000 ] - [ 0.0000053700000000, 0.0000333100000000, -0.0000571900000000 ] - [ 0.0000825500000000, -0.0034797500000000, -0.0001719800000000 ] - [ -0.0000509700000000, 0.0003717900000000, -0.0001537200000000 ] - [ -0.0001274500000000, 0.0010155100000000, -0.0007571600000000 ] - [ 0.0001063700000000, -0.0000146200000000, 0.0001142300000000 ] - [ 0.0000028800000000, -0.0000207200000000, -0.0000431900000000 ] - [ 0.0001759400000000, 0.0011749200000000, 0.0010305900000000 ] - [ -0.0000690200000000, -0.0000191600000000, -0.0000922000000000 ] - [ 0.0000617800000000, 0.0000391300000000, -0.0001519500000000 ] - [ 0.0000619800000000, -0.0000390900000000, -0.0001544200000000 ] - [ 0.0000544200000000, -0.0002881700000000, -0.0000330400000000 ] - [ -0.0000635300000000, -0.0000226900000000, -0.0001519300000000 ] - [ -0.0000631700000000, 0.0000229800000000, -0.0001528900000000 ] - [ -0.0000169900000000, -0.0000016700000000, 0.0000793100000000 ] - [ 0.0000884200000000, -0.0000162400000000, 0.0001786000000000 ] - [ 0.0000104200000000, 0.0000814100000000, -0.0000597800000000 ] - [ -0.0001651000000000, -0.0001449900000000, 0.0000137000000000 ] - [ -0.0001086300000000, 0.0000997000000000, 0.0000890700000000 ] - [ -0.0000252900000000, -0.0000213900000000, -0.0001381600000000 ] - [ -0.0006828700000000, 0.0000923300000000, 0.0044052300000000 ] - [ -0.0002312800000000, -0.0000279100000000, -0.0047658700000000 ] - [ 0.0000718500000000, 0.0002649300000000, -0.0002998200000000 ] - [ -0.0001112100000000, 0.0003524900000000, 0.0003040400000000 ] - [ -0.0004813800000000, -0.0000142900000000, 0.0005276300000000 ] - [ 0.0002318700000000, 0.0003531600000000, 0.0001952800000000 ] - [ 0.0003733900000000, -0.0004171800000000, 0.0034222900000000 ] - [ 0.0000802100000000, 0.0000639200000000, -0.0000005100000000 ] - [ 0.0001036600000000, -0.0001308800000000, -0.0035080900000000 ] - [ -0.0007291300000000, -0.0000020200000000, -0.0005015500000000 ] - [ -0.0000844700000000, -0.0000211200000000, -0.0000142600000000 ] - [ 0.0000341600000000, 0.0000529100000000, 0.0000288100000000 ] - [ 0.0000381900000000, -0.0000423900000000, 0.0000154700000000 ] - [ -0.0000807500000000, -0.0000117900000000, -0.0000166800000000 ] - [ 0.0001933500000000, -0.0000323300000000, 0.0003040900000000 ] - [ 0.0000523200000000, 0.0001252600000000, 0.0001538700000000 ] - [ 0.0000912500000000, -0.0001232900000000, 0.0001236100000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000103000000000, -0.0000083800000000, 0.0000130500000000 ] - [ -0.0000806700000000, -0.0000452800000000, 0.0001113500000000 ] - [ -0.0001002900000000, 0.0000236800000000, 0.0000589700000000 ] - [ 0.0002357100000000, -0.0000058200000000, -0.0000634200000000 ] - [ 0.0000723900000000, 0.0001651400000000, -0.0002885900000000 ] - [ 0.0000357400000000, 0.0000535000000000, -0.0000449600000000 ] - [ -0.0003323700000000, -0.0000576100000000, -0.0001373900000000 ] - [ 0.0001636700000000, 0.0000937200000000, -0.0002359300000000 ] - [ 0.0000652800000000, -0.0000339900000000, -0.0003146900000000 ] - [ 0.0034894700000000, -0.0050628700000000, 0.0024120200000000 ] - [ -0.0000683100000000, 0.0001957300000000, -0.0002453800000000 ] - [ 0.0000708400000000, 0.0002142500000000, 0.0001533600000000 ] - [ -0.0071361600000000, -0.0085669200000000, -0.0020242300000000 ] - [ -0.0002405900000000, -0.0001214800000000, -0.0001443700000000 ] - [ -0.0000778000000000, 0.0000252800000000, -0.0000651500000000 ] - [ -0.0000240000000000, 0.0001983900000000, -0.0004609300000000 ] - [ 0.0000256400000000, -0.0007465900000000, 0.0000444100000000 ] - [ 0.0000091300000000, 0.0002343100000000, 0.0000497100000000 ] - [ 0.0000154800000000, -0.0000978800000000, 0.0000431400000000 ] - [ 0.0008566700000000, -0.0019683000000000, 0.0017939500000000 ] - [ 0.0001199500000000, 0.0004307700000000, -0.0002104700000000 ] - [ -0.0043916000000000, -0.0047140300000000, -0.0014055600000000 ] - [ -0.0000819100000000, 0.0003967800000000, 0.0003457900000000 ] - [ 0.0002688400000000, -0.0002086800000000, 0.0003828600000000 ] - [ 0.0001471600000000, 0.0001119800000000, 0.0002537700000000 ] - [ -0.0005049700000000, -0.0000214500000000, 0.0001384800000000 ] - [ 0.0000173600000000, -0.0011072200000000, -0.0001801100000000 ] - [ 0.0000426100000000, 0.0000571400000000, 0.0000818700000000 ] - [ -0.0000586300000000, -0.0000249200000000, -0.0000097600000000 ] - [ -0.0002138900000000, 0.0000326300000000, -0.0001754700000000 ] - [ -0.0002226700000000, -0.0000428900000000, -0.0001369900000000 ] - [ 0.0000247500000000, -0.0000274800000000, 0.0001501100000000 ] - [ -0.0005156800000000, 0.0000920400000000, -0.0003480900000000 ] - [ 0.0000040400000000, 0.0001745400000000, -0.0001811100000000 ] - [ 0.0000158600000000, -0.0002689100000000, -0.0002816700000000 ] - [ 0.0005819500000000, -0.0003214800000000, 0.0001897000000000 ] - [ -0.0000914800000000, 0.0000170100000000, 0.0000535400000000 ] - [ 0.0001059400000000, 0.0000065700000000, -0.0000591800000000 ] - [ -0.0000485200000000, -0.0000323000000000, -0.0000593900000000 ] - [ 0.0000237100000000, -0.0000007300000000, -0.0001426400000000 ] - [ -0.0000064200000000, -0.0000022100000000, -0.0001920900000000 ] - [ 0.0000767200000000, -0.0000021000000000, -0.0000221600000000 ] - [ -0.0000770700000000, -0.0000105900000000, -0.0000609600000000 ] - [ 0.0000686500000000, -0.0000018200000000, -0.0000555900000000 ] - [ -0.0000834500000000, 0.0000155600000000, -0.0000306900000000 ] - [ 0.0000716300000000, 0.0000028900000000, -0.0000451600000000 ] - [ -0.0000735800000000, -0.0000082400000000, -0.0000477700000000 ] - [ 0.0001235000000000, 0.0000319600000000, 0.0000013600000000 ] - [ -0.0000305300000000, -0.0000677600000000, 0.0000695200000000 ] - [ -0.0000294600000000, 0.0000641000000000, 0.0000815100000000 ] - [ -0.0002148200000000, -0.0000005500000000, 0.0000048700000000 ] - [ -0.0001074700000000, 0.0000214200000000, 0.0000942600000000 ] - [ 0.0000999500000000, 0.0000031500000000, 0.0000640200000000 ] - [ 0.0001033900000000, 0.0000011700000000, 0.0000614600000000 ] - [ -0.0001098000000000, -0.0000164700000000, 0.0001040700000000 ] - [ 0.0001285400000000, 0.0000183300000000, 0.0001070600000000 ] - [ 0.0001278100000000, -0.0000115400000000, 0.0000709300000000 ] - [ 0.0000849500000000, 0.0000068300000000, -0.0000183000000000 ] - [ 0.0000183900000000, 0.0001112400000000, 0.0000593100000000 ] - [ 0.0000169600000000, -0.0001061900000000, 0.0000589400000000 ] - [ -0.0003508400000000, 0.0001223900000000, 0.0003050900000000 ] - [ -0.0001617800000000, 0.0000708900000000, 0.0000736100000000 ] - [ -0.0001473300000000, 0.0000271200000000, -0.0000656600000000 ] - [ 0.0001152400000000, 0.0002128800000000, 0.0006055100000000 ] - [ 0.0000158600000000, 0.0000009600000000, 0.0000817900000000 ] - [ -0.0000833200000000, 0.0000294400000000, 0.0001668000000000 ] - [ 0.0070928300000000, 0.0200884700000000, -0.0011174500000000 ] - [ 0.0000703200000000, -0.0003873000000000, -0.0001565300000000 ] - [ 0.0000005000000000, -0.0000312000000000, -0.0000613100000000 ] - [ -0.0002088800000000, 0.0034162400000000, -0.0001375800000000 ] - [ -0.0000708000000000, -0.0003106200000000, -0.0001534300000000 ] - [ 0.0000725900000000, -0.0010106200000000, 0.0009419100000000 ] - [ 0.0000668500000000, 0.0000092300000000, -0.0001039000000000 ] - [ 0.0000039800000000, 0.0000156900000000, -0.0000680100000000 ] - [ -0.0001339900000000, -0.0011798400000000, -0.0008432900000000 ] - [ -0.0000903100000000, 0.0000245600000000, 0.0000728400000000 ] - [ 0.0000549100000000, 0.0000219200000000, -0.0001423500000000 ] - [ 0.0000668100000000, -0.0000222000000000, -0.0001616800000000 ] - [ -0.0000713700000000, 0.0002765300000000, -0.0000785100000000 ] - [ -0.0000535300000000, -0.0000371000000000, -0.0001475500000000 ] - [ -0.0000650100000000, 0.0000401000000000, -0.0001624400000000 ] - [ -0.0000325400000000, 0.0000011500000000, 0.0000972700000000 ] - [ 0.0000811300000000, 0.0000154600000000, -0.0001765800000000 ] - [ -0.0000208100000000, -0.0000706000000000, -0.0000555300000000 ] - [ -0.0000220300000000, -0.0001910900000000, 0.0001425600000000 ] - [ -0.0000844000000000, 0.0002354300000000, 0.0000761500000000 ] - [ -0.0002886700000000, 0.0000233500000000, 0.0002597200000000 ] - [ 0.0005538900000000, -0.0001137200000000, -0.0043837000000000 ] - [ 0.0003298000000000, 0.0000725600000000, 0.0047853400000000 ] - [ 0.0000437500000000, -0.0003253100000000, 0.0003109300000000 ] - [ -0.0000067100000000, -0.0003191900000000, -0.0002805200000000 ] - [ 0.0007814600000000, 0.0000186400000000, -0.0003976200000000 ] - [ -0.0000313600000000, -0.0000592300000000, -0.0000103100000000 ] - [ -0.0001653300000000, 0.0000919200000000, -0.0032593900000000 ] - [ -0.0003284300000000, -0.0001508400000000, 0.0002362800000000 ] - [ -0.0003507300000000, 0.0002636500000000, 0.0037214800000000 ] - [ 0.0006920200000000, 0.0000082300000000, 0.0007571300000000 ] - [ -0.0000265600000000, -0.0000967600000000, 0.0000506800000000 ] - [ 0.0000663300000000, 0.0000652200000000, -0.0000145900000000 ] - [ 0.0000717500000000, 0.0000148800000000, -0.0000435400000000 ] - [ -0.0000388200000000, 0.0000309000000000, 0.0000123500000000 ] - [ -0.0000072700000000, 0.0000311200000000, -0.0001308200000000 ] - [ 0.0001564100000000, 0.0000855700000000, 0.0000276000000000 ] - [ 0.0001241700000000, -0.0000963100000000, 0.0000620700000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000099600000000, 0.0000173200000000, -0.0000324400000000 ] - [ -0.0000107900000000, 0.0000923600000000, -0.0000634400000000 ] - [ -0.0000740900000000, -0.0000479100000000, 0.0000212900000000 ] - [ 0.0001966600000000, -0.0000002100000000, 0.0000114100000000 ] - [ 0.0000075200000000, 0.0002585400000000, 0.0000008500000000 ] - [ -0.0000057600000000, 0.0000264600000000, -0.0000550500000000 ] - [ 0.0044498100000000, 0.0002337000000000, 0.0031330800000000 ] - [ 0.0001674000000000, 0.0000657000000000, -0.0002103200000000 ] - [ 0.0003374500000000, 0.0001894000000000, -0.0003568900000000 ] - [ -0.0002383800000000, 0.0007150000000000, 0.0010313500000000 ] - [ -0.0000799800000000, 0.0000089000000000, -0.0000038400000000 ] - [ 0.0000796600000000, -0.0000203200000000, -0.0000139900000000 ] - [ -0.0008698300000000, -0.0012422800000000, 0.0009535500000000 ] - [ 0.0006759600000000, 0.0000188900000000, 0.0001411900000000 ] - [ 0.0000594200000000, -0.0000254700000000, -0.0000589300000000 ] - [ 0.0000237300000000, 0.0001101400000000, 0.0001137600000000 ] - [ -0.0001052100000000, -0.0001815400000000, 0.0001170600000000 ] - [ -0.0000227400000000, 0.0001148400000000, 0.0000898000000000 ] - [ -0.0001536500000000, -0.0000842300000000, 0.0000047800000000 ] - [ 0.0000321400000000, -0.0001447500000000, 0.0016060500000000 ] - [ 0.0000997100000000, 0.0000883100000000, 0.0001347200000000 ] - [ -0.0000852800000000, -0.0000615700000000, 0.0014194800000000 ] - [ -0.0001172500000000, -0.0000658100000000, 0.0001053400000000 ] - [ 0.0004553300000000, -0.0003203400000000, 0.0001594300000000 ] - [ 0.0001419000000000, -0.0000577900000000, 0.0000190200000000 ] - [ 0.0005895800000000, -0.0000685800000000, -0.0001524000000000 ] - [ 0.0013432000000000, 0.0009185600000000, 0.0063005100000000 ] - [ 0.0000324300000000, -0.0001349300000000, 0.0000839000000000 ] - [ -0.0000945500000000, -0.0000245700000000, -0.0000396800000000 ] - [ -0.0001349600000000, 0.0000009000000000, -0.0001895200000000 ] - [ -0.0003284100000000, -0.0002609500000000, -0.0004471400000000 ] - [ 0.0000598700000000, -0.0000491400000000, 0.0000431600000000 ] - [ -0.0001734400000000, 0.0000745400000000, -0.0000825300000000 ] - [ -0.0000759100000000, 0.0001194700000000, -0.0000505200000000 ] - [ -0.0000958600000000, 0.0002860700000000, 0.0000285000000000 ] - [ 0.0005322800000000, -0.0002237100000000, -0.0001343100000000 ] - [ -0.0000579300000000, 0.0000150400000000, 0.0000732400000000 ] - [ -0.0000094300000000, 0.0000270800000000, -0.0000593800000000 ] - [ -0.0000123700000000, -0.0000278100000000, -0.0000475100000000 ] - [ 0.0001033100000000, 0.0003452700000000, -0.0005578000000000 ] - [ 0.0000997500000000, -0.0000117400000000, -0.0001624900000000 ] - [ 0.0000822100000000, 0.0000007700000000, -0.0000707400000000 ] - [ -0.0000729400000000, -0.0000079800000000, -0.0000875200000000 ] - [ 0.0000685500000000, 0.0000047100000000, -0.0000854800000000 ] - [ -0.0000816300000000, -0.0000057800000000, -0.0000716100000000 ] - [ 0.0000180900000000, 0.0000174600000000, -0.0000482300000000 ] - [ -0.0000206900000000, -0.0000073300000000, -0.0000677700000000 ] - [ 0.0000887800000000, 0.0000280400000000, -0.0000486700000000 ] - [ -0.0000267100000000, -0.0000913700000000, 0.0000444100000000 ] - [ -0.0000032300000000, 0.0000714100000000, 0.0000414700000000 ] - [ -0.0001967500000000, -0.0000127100000000, 0.0000144000000000 ] - [ -0.0001076700000000, 0.0000037600000000, 0.0000512200000000 ] - [ 0.0001016300000000, 0.0000140600000000, 0.0000347500000000 ] - [ 0.0001107900000000, -0.0000027600000000, 0.0000461400000000 ] - [ -0.0000994800000000, -0.0000119700000000, 0.0000313900000000 ] - [ 0.0000460100000000, 0.0000642000000000, 0.0000139300000000 ] - [ -0.0000135900000000, -0.0001208400000000, -0.0000761100000000 ] - [ 0.0000347700000000, -0.0000079500000000, -0.0000295700000000 ] - [ 0.0000254600000000, 0.0000926200000000, 0.0000445300000000 ] - [ 0.0000015800000000, -0.0000782100000000, 0.0000364500000000 ] - [ 0.0000639200000000, -0.0002541000000000, -0.0000090000000000 ] - [ 0.0001673400000000, -0.0001232600000000, -0.0002736000000000 ] - [ -0.0001286200000000, -0.0000619500000000, -0.0001881700000000 ] - [ 0.0000281700000000, -0.0000808800000000, 0.0001568600000000 ] - [ 0.0000276300000000, 0.0000061800000000, 0.0001543800000000 ] - [ -0.0000983000000000, -0.0000808000000000, -0.0000344000000000 ] - [ 0.0027750800000000, 0.0010230700000000, -0.0157163100000000 ] - [ 0.0001012200000000, -0.0000365800000000, -0.0002174000000000 ] - [ 0.0000024500000000, -0.0000013700000000, -0.0000278000000000 ] - [ -0.0001306200000000, -0.0000131700000000, -0.0007251100000000 ] - [ -0.0000995600000000, 0.0000309600000000, -0.0001916300000000 ] - [ 0.0002285000000000, -0.0000948400000000, -0.0002511300000000 ] - [ 0.0001042700000000, 0.0001790000000000, 0.0001366000000000 ] - [ -0.0000253300000000, 0.0000211400000000, 0.0000474600000000 ] - [ 0.0003401200000000, 0.0001785000000000, -0.0003039600000000 ] - [ -0.0000695000000000, -0.0001361800000000, 0.0000006700000000 ] - [ 0.0000435300000000, 0.0000287600000000, -0.0001223300000000 ] - [ 0.0000427900000000, -0.0000290100000000, -0.0000921800000000 ] - [ 0.0015638300000000, -0.0000354400000000, 0.0011716100000000 ] - [ -0.0000428800000000, -0.0000297000000000, -0.0001239600000000 ] - [ -0.0000420600000000, 0.0000331500000000, -0.0001022900000000 ] - [ -0.0000236500000000, -0.0000040200000000, 0.0001494600000000 ] - [ 0.0000673200000000, 0.0001111700000000, 0.0001139300000000 ] - [ 0.0000190200000000, 0.0000012400000000, -0.0000406700000000 ] - [ -0.0000897500000000, -0.0000824200000000, 0.0003233100000000 ] - [ -0.0000833600000000, 0.0001206700000000, 0.0001263100000000 ] - [ -0.0001509800000000, -0.0002121000000000, 0.0002402800000000 ] - [ -0.0032730800000000, 0.0022923800000000, 0.0005543300000000 ] - [ -0.0033193300000000, -0.0029788100000000, 0.0006407000000000 ] - [ -0.0000074000000000, -0.0002161400000000, -0.0000124300000000 ] - [ -0.0002260600000000, 0.0002637500000000, -0.0000165700000000 ] - [ -0.0003316700000000, 0.0001909500000000, 0.0003878700000000 ] - [ 0.0001482600000000, 0.0000528300000000, -0.0000166800000000 ] - [ -0.0020430800000000, 0.0027584600000000, -0.0001705100000000 ] - [ -0.0004253400000000, 0.0000949800000000, -0.0000012200000000 ] - [ -0.0026876100000000, -0.0035581000000000, 0.0000670000000000 ] - [ 0.0005756600000000, -0.0002549200000000, 0.0006667300000000 ] - [ -0.0000787600000000, 0.0000225300000000, 0.0000453200000000 ] - [ 0.0000818300000000, 0.0000241600000000, 0.0000190300000000 ] - [ 0.0001074900000000, 0.0000181000000000, 0.0002480000000000 ] - [ -0.0000812000000000, 0.0000276400000000, 0.0001970600000000 ] - [ 0.0001235600000000, 0.0002095800000000, 0.0000471200000000 ] - [ 0.0000850600000000, 0.0000738500000000, 0.0003542600000000 ] - [ 0.0000745700000000, -0.0001022300000000, 0.0001428200000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001270800000000, -0.0000119600000000, -0.0000310600000000 ] - [ -0.0001491000000000, -0.0000136100000000, 0.0001609100000000 ] - [ -0.0000815300000000, -0.0000313800000000, 0.0000670000000000 ] - [ 0.0002113000000000, 0.0000073200000000, 0.0000132100000000 ] - [ -0.0001063900000000, -0.0002759300000000, 0.0001878600000000 ] - [ 0.0000228100000000, 0.0000050600000000, -0.0000636900000000 ] - [ -0.0044130300000000, -0.0002673300000000, -0.0035302100000000 ] - [ 0.0000490400000000, -0.0000415500000000, -0.0001204800000000 ] - [ -0.0001081600000000, -0.0002254000000000, 0.0000398500000000 ] - [ 0.0003674000000000, -0.0006905000000000, -0.0011658500000000 ] - [ -0.0000699400000000, -0.0000355200000000, -0.0001179400000000 ] - [ 0.0000705700000000, 0.0000383700000000, -0.0001122400000000 ] - [ 0.0006721000000000, 0.0011965400000000, -0.0010784900000000 ] - [ -0.0007407200000000, 0.0000110000000000, -0.0002570200000000 ] - [ -0.0000748600000000, -0.0000030900000000, -0.0000598100000000 ] - [ 0.0001384000000000, -0.0001310200000000, -0.0001269700000000 ] - [ 0.0000504800000000, 0.0000085300000000, -0.0000044100000000 ] - [ -0.0000285700000000, 0.0000488100000000, 0.0000404900000000 ] - [ -0.0002812800000000, 0.0000843500000000, -0.0000252600000000 ] - [ -0.0002323200000000, 0.0001497700000000, -0.0014729200000000 ] - [ 0.0001110800000000, -0.0000680600000000, -0.0000014200000000 ] - [ 0.0003347900000000, 0.0000949900000000, -0.0013007200000000 ] - [ -0.0000942300000000, 0.0000315300000000, 0.0000459200000000 ] - [ -0.0002508500000000, 0.0003459100000000, -0.0000105100000000 ] - [ 0.0000614800000000, 0.0000408900000000, 0.0001322800000000 ] - [ -0.0004694800000000, 0.0000728000000000, 0.0001116200000000 ] - [ -0.0013437500000000, -0.0007189100000000, -0.0057492600000000 ] - [ 0.0000160200000000, -0.0000547700000000, 0.0000423300000000 ] - [ -0.0000787400000000, 0.0000227900000000, 0.0000437400000000 ] - [ -0.0001121800000000, 0.0000446400000000, -0.0001319800000000 ] - [ 0.0000691900000000, 0.0002227400000000, 0.0001417700000000 ] - [ 0.0000492500000000, 0.0000516300000000, 0.0001803800000000 ] - [ 0.0000572600000000, -0.0000760600000000, 0.0000572800000000 ] - [ -0.0001616300000000, -0.0001559000000000, 0.0002468400000000 ] - [ -0.0001441300000000, -0.0002615100000000, 0.0001602800000000 ] - [ -0.0000609500000000, 0.0002235400000000, 0.0000699400000000 ] - [ -0.0000465000000000, -0.0000272000000000, 0.0001719200000000 ] - [ 0.0000576700000000, 0.0000128800000000, -0.0000417900000000 ] - [ -0.0000008000000000, -0.0000056100000000, -0.0000484000000000 ] - [ 0.0001860700000000, -0.0002857100000000, 0.0002391800000000 ] - [ 0.0001744900000000, -0.0000576900000000, -0.0001490400000000 ] - [ 0.0000715600000000, 0.0000023500000000, -0.0000203700000000 ] - [ -0.0000729300000000, -0.0000244300000000, -0.0000032700000000 ] - [ 0.0000775000000000, 0.0000238500000000, -0.0000174600000000 ] - [ -0.0000702400000000, 0.0000011600000000, -0.0000185500000000 ] - [ -0.0000051300000000, 0.0000155500000000, -0.0000491700000000 ] - [ -0.0000304100000000, -0.0000139500000000, -0.0000357200000000 ] - [ 0.0000837500000000, -0.0000384800000000, 0.0000598800000000 ] - [ -0.0000195900000000, -0.0000962500000000, 0.0000803900000000 ] - [ -0.0000406500000000, 0.0001128800000000, 0.0001099800000000 ] - [ -0.0002113200000000, 0.0000083600000000, 0.0000048500000000 ] - [ -0.0001073600000000, 0.0000031300000000, 0.0001171500000000 ] - [ 0.0001125800000000, 0.0000162900000000, 0.0001531300000000 ] - [ 0.0001056300000000, -0.0000032600000000, 0.0001235100000000 ] - [ -0.0001143000000000, -0.0000217500000000, 0.0001550800000000 ] - [ 0.0001207700000000, 0.0000065800000000, 0.0000834900000000 ] - [ 0.0001821300000000, 0.0000499100000000, 0.0001787200000000 ] - [ 0.0000907800000000, 0.0000043900000000, -0.0000257200000000 ] - [ 0.0000249000000000, 0.0000951100000000, 0.0000807100000000 ] - [ 0.0000434700000000, -0.0001125900000000, 0.0001162200000000 ] - [ -0.0002229300000000, 0.0002706500000000, -0.0000088600000000 ] - [ -0.0004031800000000, 0.0001597200000000, -0.0000480300000000 ] - [ -0.0000939800000000, 0.0000349200000000, -0.0001402300000000 ] - [ 0.0000704500000000, 0.0000931500000000, 0.0000290800000000 ] - [ 0.0000199300000000, -0.0000035200000000, 0.0000339900000000 ] - [ -0.0000589200000000, 0.0000741100000000, 0.0000132500000000 ] - [ -0.0025659700000000, -0.0009703800000000, 0.0152714800000000 ] - [ 0.0000124500000000, -0.0000249300000000, -0.0000767300000000 ] - [ -0.0000025200000000, -0.0000011300000000, -0.0000833100000000 ] - [ 0.0000067900000000, -0.0000472400000000, 0.0004135700000000 ] - [ -0.0000115800000000, 0.0000294400000000, -0.0001029400000000 ] - [ -0.0002774800000000, 0.0000896300000000, 0.0004411800000000 ] - [ 0.0000682200000000, -0.0001785600000000, -0.0001366400000000 ] - [ 0.0000263700000000, -0.0000220600000000, -0.0001477500000000 ] - [ -0.0002935600000000, -0.0001749900000000, 0.0004930800000000 ] - [ -0.0001008100000000, 0.0001306900000000, 0.0000094500000000 ] - [ 0.0000676100000000, 0.0000313900000000, -0.0001701900000000 ] - [ 0.0000676500000000, -0.0000276200000000, -0.0002068700000000 ] - [ -0.0015450500000000, 0.0000406700000000, -0.0012782800000000 ] - [ -0.0000675200000000, -0.0000306500000000, -0.0001744900000000 ] - [ -0.0000672200000000, 0.0000308900000000, -0.0001977000000000 ] - [ -0.0000251200000000, -0.0000006900000000, 0.0000387200000000 ] - [ 0.0000976700000000, -0.0001064500000000, -0.0001297700000000 ] - [ -0.0000117700000000, -0.0000085800000000, -0.0000777800000000 ] - [ -0.0001584400000000, -0.0000418100000000, -0.0001170800000000 ] - [ -0.0001557500000000, -0.0000055500000000, 0.0000818600000000 ] - [ 0.0000943800000000, 0.0002112800000000, 0.0000184100000000 ] - [ 0.0031713900000000, -0.0023810700000000, -0.0005329100000000 ] - [ 0.0034577100000000, 0.0030724000000000, -0.0006212800000000 ] - [ 0.0001192000000000, 0.0001395400000000, 0.0000368000000000 ] - [ 0.0001185200000000, -0.0001701300000000, 0.0000219300000000 ] - [ 0.0005366700000000, -0.0001797300000000, -0.0002105800000000 ] - [ 0.0000485300000000, 0.0002204700000000, 0.0001898100000000 ] - [ 0.0022310200000000, -0.0030192300000000, 0.0003239300000000 ] - [ 0.0002331700000000, -0.0004495900000000, 0.0001482300000000 ] - [ 0.0024820400000000, 0.0038892900000000, 0.0000541600000000 ] - [ -0.0008922000000000, 0.0002311200000000, -0.0005477900000000 ] - [ -0.0000324600000000, -0.0001101300000000, -0.0000015500000000 ] - [ 0.0000294200000000, 0.0000869100000000, 0.0000285300000000 ] - [ 0.0000187900000000, -0.0000740900000000, -0.0002010000000000 ] - [ -0.0000376300000000, 0.0000667100000000, -0.0001765500000000 ] - [ -0.0000418300000000, -0.0002152100000000, 0.0001781800000000 ] - [ 0.0001567700000000, 0.0000782800000000, -0.0001459200000000 ] - [ 0.0001668200000000, -0.0000421100000000, 0.0000624000000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005619300000000, -0.0000710500000000, -0.0001084500000000 ] - [ -0.0001436700000000, -0.0000692100000000, 0.0001543300000000 ] - [ -0.0002768900000000, 0.0000468500000000, 0.0001652800000000 ] - [ -0.0001819200000000, 0.0003380400000000, 0.0002711200000000 ] - [ -0.0000351500000000, 0.0000914200000000, -0.0000034000000000 ] - [ 0.0001329900000000, 0.0000106800000000, -0.0000592200000000 ] - [ -0.0000048200000000, 0.0000027900000000, -0.0000582200000000 ] - [ 0.0002064500000000, 0.0021997900000000, -0.0016733400000000 ] - [ 0.0001857000000000, -0.0001948600000000, -0.0002262700000000 ] - [ 0.0000804400000000, -0.0000091100000000, -0.0000437400000000 ] - [ -0.0000597400000000, -0.0000089300000000, -0.0000094800000000 ] - [ 0.0000908300000000, -0.0000016200000000, -0.0000759300000000 ] - [ -0.0000683200000000, 0.0000210000000000, -0.0000449200000000 ] - [ -0.0000154900000000, 0.0000321000000000, -0.0000476200000000 ] - [ 0.0000950900000000, -0.0000167600000000, -0.0000425400000000 ] - [ 0.0002229600000000, -0.0000822600000000, 0.0001506100000000 ] - [ -0.0000156900000000, -0.0000865900000000, 0.0000716200000000 ] - [ -0.0000172700000000, 0.0000872100000000, 0.0000691900000000 ] - [ -0.0001938600000000, 0.0000043200000000, 0.0000133000000000 ] - [ -0.0001005800000000, 0.0000177600000000, 0.0000954300000000 ] - [ 0.0001095300000000, 0.0000059200000000, 0.0000916500000000 ] - [ 0.0001109600000000, -0.0000130700000000, 0.0000896800000000 ] - [ -0.0001035000000000, -0.0000117600000000, 0.0000899200000000 ] - [ 0.0000881100000000, 0.0000381500000000, 0.0000530300000000 ] - [ 0.0000869000000000, -0.0000349200000000, 0.0000496100000000 ] - [ 0.0000577300000000, 0.0000043100000000, -0.0000156300000000 ] - [ 0.0000170500000000, 0.0000979800000000, 0.0000732900000000 ] - [ 0.0000204300000000, -0.0000953800000000, 0.0000698100000000 ] - [ -0.0000861500000000, 0.0000135000000000, 0.0000120200000000 ] - [ -0.0001110500000000, 0.0000153100000000, -0.0001632600000000 ] - [ -0.0001128800000000, -0.0000085400000000, -0.0001659700000000 ] - [ 0.0000583100000000, -0.0000012300000000, 0.0000862300000000 ] - [ -0.0000484400000000, -0.0000046700000000, -0.0000230200000000 ] - [ -0.0000894700000000, 0.0000139800000000, 0.0000548200000000 ] - [ -0.0000909400000000, -0.0000206100000000, 0.0000535000000000 ] - [ 0.0002044300000000, -0.0000045000000000, 0.0000006300000000 ] - [ -0.0000490700000000, -0.0000134500000000, 0.0001162000000000 ] - [ 0.0000081400000000, 0.0000211000000000, -0.0000536600000000 ] - [ 0.0000492200000000, -0.0000157000000000, -0.0000814500000000 ] - [ 0.0001279300000000, 0.0000209700000000, -0.0001696300000000 ] - [ 0.0001210900000000, -0.0000249700000000, -0.0001652700000000 ] - [ 0.0003346600000000, -0.0000168600000000, 0.0000214100000000 ] - [ -0.0000638800000000, -0.0000062700000000, -0.0000665500000000 ] - [ 0.0000838500000000, 0.0000222500000000, -0.0000345700000000 ] - [ 0.0001834300000000, -0.0000112200000000, -0.0001326100000000 ] - [ 0.0000154200000000, 0.0000128600000000, -0.0000310600000000 ] - [ -0.0000120900000000, -0.0000085300000000, -0.0000572100000000 ] - [ 0.0000857200000000, 0.0000028700000000, -0.0000259600000000 ] - [ 0.0206747100000000, -0.0013240800000000, -0.0092999800000000 ] - [ -0.0000306600000000, 0.0001512700000000, 0.0000736100000000 ] - [ -0.0006017900000000, 0.0003328900000000, -0.0002790500000000 ] - [ -0.0008024500000000, -0.0001513800000000, 0.0002050100000000 ] - [ 0.0000831500000000, 0.0000216100000000, 0.0000867100000000 ] - [ -0.0005894000000000, -0.0001652000000000, -0.0000538700000000 ] - [ -0.0001281900000000, -0.0000101700000000, 0.0000709900000000 ] - [ -0.0000793500000000, 0.0000623600000000, -0.0000291300000000 ] - [ 0.0000541300000000, -0.0000977200000000, -0.0000201600000000 ] - [ -0.0004525200000000, -0.0000787800000000, 0.0000792100000000 ] - [ 0.0196963200000000, -0.0011154600000000, 0.0089430900000000 ] - [ 0.0000115200000000, -0.0000287400000000, 0.0000620300000000 ] - [ 0.0000444500000000, -0.0000942300000000, -0.0001553100000000 ] - [ -0.0000641000000000, -0.0001586400000000, -0.0001038200000000 ] - [ -0.0000812600000000, 0.0020802800000000, 0.0012842300000000 ] - [ 0.0000792500000000, 0.0000825900000000, 0.0002219400000000 ] - [ -0.0000252000000000, 0.0000017700000000, 0.0000936500000000 ] - [ -0.0003597600000000, -0.0001260300000000, 0.0003172200000000 ] - [ 0.0000566500000000, 0.0000360100000000, -0.0001460200000000 ] - [ 0.0000577000000000, -0.0000323900000000, -0.0001774100000000 ] - [ -0.0468853200000000, -0.0035607000000000, 0.0005136900000000 ] - [ -0.0000528800000000, -0.0000247000000000, -0.0001508400000000 ] - [ -0.0000616700000000, 0.0000290100000000, -0.0001236900000000 ] - [ -0.0000504500000000, -0.0000077400000000, 0.0000932200000000 ] - [ 0.0000857300000000, 0.0000008200000000, -0.0000092500000000 ] - [ -0.0000423400000000, 0.0000073200000000, -0.0000555600000000 ] - [ -0.0000028300000000, -0.0000078900000000, 0.0000939600000000 ] - [ -0.0000803800000000, -0.0000012300000000, 0.0000012500000000 ] - [ -0.0000283000000000, 0.0000910300000000, 0.0014018900000000 ] - [ 0.0000611000000000, -0.0000416400000000, -0.0001341400000000 ] - [ 0.0000029200000000, 0.0000014200000000, -0.0000546500000000 ] - [ -0.0001533000000000, 0.0000290600000000, -0.0017105100000000 ] - [ -0.0000583400000000, 0.0000200400000000, -0.0001675300000000 ] - [ -0.0000734000000000, 0.0000008000000000, 0.0000861700000000 ] - [ -0.0001830300000000, -0.0001272900000000, -0.0003146600000000 ] - [ 0.0000030500000000, -0.0000021100000000, -0.0000560400000000 ] - [ 0.0002115500000000, -0.0005166000000000, 0.0000489700000000 ] - [ 0.0043003500000000, 0.0011438200000000, 0.0002414900000000 ] - [ -0.0000041000000000, 0.0005029500000000, -0.0005369500000000 ] - [ -0.0000681200000000, -0.0000315600000000, 0.0000100100000000 ] - [ 0.0000583000000000, 0.0000426600000000, 0.0000060500000000 ] - [ 0.0000571600000000, -0.0002259900000000, -0.0004954200000000 ] - [ -0.0000612800000000, -0.0001571800000000, 0.0004855600000000 ] - [ 0.0000569700000000, -0.0000082800000000, 0.0001134000000000 ] - [ 0.0001121300000000, 0.0001000600000000, 0.0000994900000000 ] - [ 0.0001123800000000, -0.0000886500000000, 0.0001026700000000 ] - [ -0.0001077800000000, -0.0001060300000000, 0.0000978500000000 ] - [ -0.0001065300000000, 0.0001048400000000, 0.0000966000000000 ] - [ -0.0000902400000000, -0.0000030300000000, 0.0001008000000000 ] - [ -0.0000322100000000, -0.0000297100000000, -0.0000537800000000 ] - [ 0.0000708300000000, 0.0000586100000000, 0.0000512200000000 ] - [ 0.0000617300000000, -0.0000318800000000, 0.0000302700000000 ] - [ -0.0000565800000000, 0.0000294700000000, -0.0000191200000000 ] - [ 0.0002026600000000, 0.0005103000000000, 0.0007108700000000 ] - [ 0.0004170900000000, -0.0002468900000000, 0.0001284800000000 ] - [ 0.0045073600000000, 0.0008718300000000, -0.0000783900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008071000000000, -0.0000695800000000, 0.0000965400000000 ] - [ -0.0000804200000000, -0.0001177100000000, 0.0001440300000000 ] - [ 0.0000458700000000, -0.0001491500000000, -0.0001103300000000 ] - [ -0.0001532300000000, 0.0003525100000000, 0.0005204200000000 ] - [ -0.0003056700000000, -0.0002946000000000, 0.0004503200000000 ] - [ 0.0000006600000000, 0.0000414900000000, 0.0000902000000000 ] - [ 0.0000063800000000, -0.0000413300000000, -0.0000567800000000 ] - [ 0.0021551800000000, 0.0111600800000000, -0.0101884500000000 ] - [ 0.0001219200000000, -0.0003552400000000, -0.0001601500000000 ] - [ 0.0000787800000000, -0.0000194800000000, -0.0000584400000000 ] - [ -0.0000782300000000, -0.0000829700000000, 0.0001234900000000 ] - [ 0.0000677200000000, -0.0000661900000000, -0.0002371100000000 ] - [ -0.0000671100000000, -0.0000144300000000, -0.0000540800000000 ] - [ -0.0000135500000000, -0.0000159900000000, -0.0000643900000000 ] - [ -0.0000185200000000, 0.0000147600000000, -0.0002170000000000 ] - [ 0.0002336500000000, -0.0001423900000000, 0.0002545100000000 ] - [ -0.0000225100000000, -0.0000924100000000, 0.0000655100000000 ] - [ -0.0000172300000000, 0.0000837400000000, 0.0000671100000000 ] - [ -0.0001794800000000, 0.0000036900000000, 0.0000263100000000 ] - [ -0.0001123600000000, -0.0000055300000000, 0.0001259900000000 ] - [ 0.0001042100000000, 0.0000311600000000, 0.0000277600000000 ] - [ 0.0001061200000000, -0.0000276100000000, 0.0000066600000000 ] - [ -0.0001139600000000, 0.0000032600000000, 0.0001258200000000 ] - [ 0.0000738600000000, 0.0000383200000000, 0.0000439900000000 ] - [ 0.0000739000000000, -0.0000427600000000, 0.0000356100000000 ] - [ 0.0000613000000000, 0.0000041600000000, -0.0000289700000000 ] - [ 0.0000182000000000, 0.0000927300000000, 0.0000647900000000 ] - [ 0.0000146100000000, -0.0000933400000000, 0.0000649400000000 ] - [ -0.0001076300000000, -0.0000069900000000, -0.0000286800000000 ] - [ -0.0000958300000000, 0.0000052500000000, -0.0002193600000000 ] - [ -0.0000981500000000, -0.0000101700000000, -0.0001853200000000 ] - [ 0.0000826800000000, -0.0000075500000000, 0.0000614800000000 ] - [ -0.0000728200000000, -0.0000008200000000, -0.0000163600000000 ] - [ -0.0001084200000000, -0.0000073100000000, 0.0000800600000000 ] - [ -0.0001066100000000, 0.0000083400000000, 0.0000808500000000 ] - [ 0.0002214700000000, 0.0000006600000000, -0.0000029400000000 ] - [ -0.0000626900000000, -0.0000067800000000, 0.0001350200000000 ] - [ -0.0000552100000000, 0.0000110100000000, -0.0000585000000000 ] - [ -0.0000690200000000, -0.0000186800000000, -0.0000558700000000 ] - [ 0.0001392500000000, 0.0000282900000000, -0.0001630000000000 ] - [ 0.0001387400000000, -0.0000371700000000, -0.0001383100000000 ] - [ 0.0000878100000000, 0.0001644100000000, -0.0007057800000000 ] - [ -0.0000724200000000, -0.0000505000000000, 0.0000437200000000 ] - [ 0.0000796700000000, -0.0000143500000000, -0.0001054600000000 ] - [ -0.0000674400000000, 0.0001877700000000, 0.0006526900000000 ] - [ 0.0000820400000000, 0.0000204400000000, -0.0000543300000000 ] - [ 0.0000579800000000, -0.0000263100000000, -0.0000573300000000 ] - [ 0.0000975300000000, -0.0000050300000000, 0.0000316100000000 ] - [ -0.0009779200000000, 0.0008092800000000, 0.0002346400000000 ] - [ -0.0000654200000000, -0.0000802300000000, 0.0000984000000000 ] - [ -0.0005373300000000, 0.0003538200000000, -0.0004821600000000 ] - [ -0.0001048900000000, 0.0001829100000000, -0.0000723900000000 ] - [ 0.0001139600000000, -0.0000293600000000, 0.0000404700000000 ] - [ 0.0001118600000000, 0.0001585600000000, 0.0002576300000000 ] - [ -0.0001013900000000, -0.0000593300000000, 0.0001590700000000 ] - [ 0.0002062800000000, -0.0000746400000000, 0.0001968900000000 ] - [ 0.0000801500000000, -0.0001848600000000, -0.0000562800000000 ] - [ 0.0009444800000000, -0.0000702400000000, -0.0001475100000000 ] - [ -0.0008172900000000, 0.0009821600000000, -0.0000395700000000 ] - [ -0.0000334400000000, -0.0002637500000000, 0.0000552600000000 ] - [ 0.0000487200000000, -0.0001383700000000, -0.0002851800000000 ] - [ -0.0001156200000000, -0.0003296000000000, -0.0001927900000000 ] - [ 0.0020221200000000, 0.0114952000000000, 0.0103071800000000 ] - [ -0.0001773000000000, -0.0002901500000000, -0.0002787800000000 ] - [ 0.0000298800000000, -0.0000141100000000, 0.0001049000000000 ] - [ -0.0009239600000000, 0.0009777600000000, -0.0003245800000000 ] - [ 0.0000600000000000, 0.0000662600000000, -0.0001556400000000 ] - [ 0.0000580200000000, -0.0000495300000000, -0.0001748400000000 ] - [ -0.0035605200000000, -0.0259489300000000, -0.0006051700000000 ] - [ -0.0000603000000000, 0.0000041900000000, -0.0001530800000000 ] - [ -0.0000596400000000, 0.0000121100000000, -0.0001257600000000 ] - [ 0.0000016800000000, -0.0000201200000000, -0.0000259100000000 ] - [ 0.0000745500000000, 0.0000013700000000, -0.0000083900000000 ] - [ -0.0000066300000000, 0.0002186700000000, -0.0000548900000000 ] - [ 0.0000512100000000, -0.0000205500000000, 0.0002064200000000 ] - [ -0.0000808400000000, 0.0000000600000000, -0.0000157100000000 ] - [ 0.0000633300000000, -0.0002570600000000, -0.0001729900000000 ] - [ 0.0000464700000000, 0.0000528100000000, -0.0001461400000000 ] - [ 0.0000051300000000, 0.0000073700000000, -0.0000568500000000 ] - [ -0.0000301700000000, -0.0003146900000000, -0.0001013000000000 ] - [ -0.0000444100000000, 0.0001105100000000, -0.0001379800000000 ] - [ -0.0000171900000000, -0.0000154000000000, 0.0000763100000000 ] - [ -0.0007563800000000, 0.0009816000000000, 0.0003121500000000 ] - [ 0.0000059600000000, -0.0000102700000000, -0.0000580000000000 ] - [ -0.0000696600000000, 0.0003752600000000, 0.0001342200000000 ] - [ 0.0002950500000000, -0.0013178800000000, 0.0008512800000000 ] - [ 0.0010382300000000, 0.0019527200000000, -0.0001225700000000 ] - [ -0.0001421400000000, 0.0001860300000000, 0.0000615200000000 ] - [ -0.0000432400000000, 0.0002558200000000, -0.0000654300000000 ] - [ -0.0004931600000000, -0.0005536600000000, -0.0025096400000000 ] - [ -0.0005985000000000, -0.0004669600000000, 0.0025057500000000 ] - [ 0.0000274200000000, 0.0000026200000000, 0.0001220300000000 ] - [ 0.0001000100000000, 0.0000481600000000, 0.0000939100000000 ] - [ 0.0001072500000000, -0.0000431700000000, 0.0000941200000000 ] - [ -0.0000917400000000, -0.0001610300000000, 0.0001121800000000 ] - [ -0.0000847600000000, 0.0001517800000000, 0.0001149000000000 ] - [ -0.0001417600000000, -0.0000106700000000, 0.0000620600000000 ] - [ -0.0000688500000000, -0.0001361500000000, 0.0004428900000000 ] - [ 0.0000416300000000, 0.0000295400000000, -0.0003811100000000 ] - [ 0.0000478500000000, -0.0000651800000000, -0.0000497700000000 ] - [ -0.0000592700000000, 0.0000793500000000, 0.0001049800000000 ] - [ 0.0011515500000000, 0.0019570000000000, 0.0003634200000000 ] - [ 0.0001499200000000, 0.0005445500000000, 0.0000753800000000 ] - [ 0.0005028300000000, -0.0015013100000000, -0.0006400100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001183600000000, 0.0000145800000000, 0.0001174300000000 ] - [ -0.0001058800000000, 0.0000079200000000, 0.0002049400000000 ] - [ -0.0001220100000000, -0.0000811500000000, 0.0003840700000000 ] - [ 0.0000892800000000, 0.0000869400000000, 0.0000884300000000 ] - [ 0.0001874500000000, 0.0002053300000000, -0.0001291100000000 ] - [ -0.0000183200000000, -0.0000221800000000, -0.0002156900000000 ] - [ -0.0000284800000000, -0.0000012600000000, -0.0000514900000000 ] - [ -0.0012338200000000, -0.0108415700000000, 0.0096125100000000 ] - [ 0.0001553800000000, 0.0005079600000000, -0.0000808100000000 ] - [ 0.0000769000000000, -0.0000080200000000, -0.0000633800000000 ] - [ -0.0000365100000000, 0.0000837800000000, -0.0001136800000000 ] - [ 0.0000365100000000, -0.0000837800000000, -0.0001136800000000 ] - [ -0.0000769000000000, 0.0000080200000000, -0.0000633800000000 ] - [ 0.0000284800000000, 0.0000012600000000, -0.0000514900000000 ] - [ 0.0000183200000000, 0.0000221800000000, -0.0002156900000000 ] - [ -0.0000822800000000, 0.0001535300000000, -0.0002512500000000 ] - [ -0.0000400200000000, -0.0000922300000000, 0.0000342900000000 ] - [ -0.0000423900000000, 0.0000851500000000, 0.0000380400000000 ] - [ -0.0002386200000000, 0.0000012000000000, -0.0000294900000000 ] - [ -0.0001073100000000, 0.0000184300000000, -0.0000192200000000 ] - [ 0.0001067900000000, 0.0000039200000000, -0.0000509100000000 ] - [ 0.0001073100000000, -0.0000184300000000, -0.0000192200000000 ] - [ -0.0001067900000000, -0.0000039200000000, -0.0000509100000000 ] - [ 0.0001103100000000, -0.0000004100000000, 0.0000634800000000 ] - [ 0.0001081000000000, 0.0000074800000000, 0.0000625900000000 ] - [ 0.0000708100000000, 0.0000003200000000, -0.0000190200000000 ] - [ 0.0000400200000000, 0.0000922300000000, 0.0000342900000000 ] - [ 0.0000423900000000, -0.0000851500000000, 0.0000380400000000 ] - [ -0.0000495300000000, -0.0000459300000000, -0.0001116500000000 ] - [ -0.0001037000000000, 0.0000370700000000, -0.0002336700000000 ] - [ -0.0001368900000000, -0.0000536700000000, -0.0001808600000000 ] - [ 0.0000363000000000, -0.0000441000000000, 0.0000018800000000 ] - [ -0.0000708100000000, -0.0000003200000000, -0.0000190200000000 ] - [ -0.0001081000000000, -0.0000074800000000, 0.0000625900000000 ] - [ -0.0001103100000000, 0.0000004100000000, 0.0000634800000000 ] - [ 0.0002386200000000, -0.0000012000000000, -0.0000294900000000 ] - [ -0.0000363000000000, 0.0000441000000000, 0.0000018800000000 ] - [ 0.0000204800000000, 0.0000194600000000, -0.0000823000000000 ] - [ 0.0000676300000000, -0.0000195200000000, -0.0001777600000000 ] - [ 0.0001368900000000, 0.0000536700000000, -0.0001808600000000 ] - [ 0.0001037000000000, -0.0000370700000000, -0.0002336700000000 ] - [ 0.0001125300000000, 0.0000495000000000, -0.0018526600000000 ] - [ -0.0000772700000000, 0.0000416500000000, -0.0001932800000000 ] - [ 0.0000772700000000, -0.0000416500000000, -0.0001932800000000 ] - [ -0.0001125300000000, -0.0000495000000000, -0.0018526600000000 ] - [ -0.0000676300000000, 0.0000195200000000, -0.0001777600000000 ] - [ -0.0000204800000000, -0.0000194600000000, -0.0000823000000000 ] - [ 0.0000495300000000, 0.0000459300000000, -0.0001116500000000 ] - [ -0.0093348100000000, 0.0001235900000000, 0.0035667300000000 ] - [ -0.0000964800000000, 0.0000787000000000, 0.0001117200000000 ] - [ -0.0000892800000000, -0.0000869400000000, 0.0000884300000000 ] - [ -0.0000948000000000, 0.0001898600000000, 0.0000812800000000 ] - [ 0.0000842600000000, -0.0000380500000000, 0.0001210500000000 ] - [ 0.0000948000000000, -0.0001898600000000, 0.0000812800000000 ] - [ -0.0000842600000000, 0.0000380500000000, 0.0001210500000000 ] - [ 0.0001220100000000, 0.0000811500000000, 0.0003840700000000 ] - [ 0.0001058800000000, -0.0000079200000000, 0.0002049400000000 ] - [ -0.0001183600000000, -0.0000145800000000, 0.0001174300000000 ] - [ 0.0093348100000000, -0.0001235900000000, 0.0035667300000000 ] - [ 0.0000964800000000, -0.0000787000000000, 0.0001117200000000 ] - [ 0.0000822800000000, -0.0001535300000000, -0.0002512500000000 ] - [ -0.0001553800000000, -0.0005079600000000, -0.0000808100000000 ] - [ 0.0012338200000000, 0.0108415700000000, 0.0096125100000000 ] - [ -0.0001874500000000, -0.0002053300000000, -0.0001291100000000 ] - [ 0.0000262000000000, 0.0001341800000000, 0.0002337200000000 ] - [ 0.0007583700000000, -0.0006906200000000, -0.0001629400000000 ] - [ 0.0000478800000000, 0.0000300000000000, -0.0001198700000000 ] - [ 0.0000691300000000, -0.0000420700000000, -0.0000513100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0289031100000000 ] - [ -0.0000478800000000, -0.0000300000000000, -0.0001198700000000 ] - [ -0.0000691300000000, 0.0000420700000000, -0.0000513100000000 ] - [ -0.0000292300000000, 0.0000031300000000, 0.0001828000000000 ] - [ 0.0000912600000000, 0.0000039000000000, 0.0000522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002880900000000 ] - [ 0.0000292300000000, -0.0000031300000000, 0.0001828000000000 ] - [ -0.0000912600000000, -0.0000039000000000, 0.0000522500000000 ] - [ 0.0008185300000000, 0.0000564900000000, 0.0010656800000000 ] - [ 0.0000586100000000, -0.0000282500000000, -0.0001244500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000335300000000 ] - [ -0.0008185300000000, -0.0000564900000000, 0.0010656800000000 ] - [ -0.0000586100000000, 0.0000282500000000, -0.0001244500000000 ] - [ -0.0000262000000000, -0.0001341800000000, 0.0002337200000000 ] - [ -0.0007583700000000, 0.0006906200000000, -0.0001629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000224200000000 ] - [ 0.0000477300000000, -0.0000312800000000, 0.0002050100000000 ] - [ -0.0001461800000000, 0.0031775000000000, -0.0001833300000000 ] - [ -0.0022149600000000, -0.0017888700000000, -0.0011003700000000 ] - [ -0.0000582300000000, 0.0001024100000000, 0.0000799900000000 ] - [ 0.0000582300000000, -0.0001024100000000, 0.0000799900000000 ] - [ 0.0003172400000000, 0.0001700500000000, 0.0022809900000000 ] - [ -0.0003172400000000, -0.0001700500000000, 0.0022809900000000 ] - [ 0.0001045800000000, 0.0000234900000000, 0.0001436100000000 ] - [ 0.0000877900000000, 0.0001478500000000, 0.0001804400000000 ] - [ 0.0000929000000000, -0.0001553000000000, 0.0001382700000000 ] - [ -0.0000877900000000, -0.0001478500000000, 0.0001804400000000 ] - [ -0.0000929000000000, 0.0001553000000000, 0.0001382700000000 ] - [ -0.0001045800000000, -0.0000234900000000, 0.0001436100000000 ] - [ -0.0000655300000000, -0.0002341600000000, 0.0010050500000000 ] - [ 0.0000655300000000, 0.0002341600000000, 0.0010050500000000 ] - [ 0.0000719200000000, -0.0001430800000000, 0.0001658500000000 ] - [ -0.0000719200000000, 0.0001430800000000, 0.0001658500000000 ] - [ 0.0022149600000000, 0.0017888700000000, -0.0011003700000000 ] - [ -0.0000477300000000, 0.0000312800000000, 0.0002050100000000 ] - [ 0.0001461800000000, -0.0031775000000000, -0.0001833300000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002620100000000, -0.0000170000000000, -0.0001698700000000 ] - [ -0.0001001400000000, -0.0000010900000000, -0.0000463400000000 ] - [ -0.0000838000000000, 0.0000682600000000, -0.0002251500000000 ] - [ 0.0003557600000000, -0.0000891900000000, -0.0001081700000000 ] - [ -0.0002864400000000, -0.0001970000000000, 0.0003767900000000 ] - [ 0.0001827500000000, 0.0000447800000000, 0.0001308400000000 ] - [ 0.0000974600000000, -0.0000278300000000, -0.0000362400000000 ] - [ 0.0014196500000000, 0.0105043700000000, -0.0096255300000000 ] - [ 0.0000867400000000, -0.0005729200000000, -0.0002087600000000 ] - [ 0.0000715500000000, 0.0000010700000000, -0.0000441900000000 ] - [ -0.0001090200000000, -0.0000824800000000, -0.0000079900000000 ] - [ 0.0001090200000000, 0.0000824800000000, -0.0000079900000000 ] - [ -0.0000715500000000, -0.0000010700000000, -0.0000441900000000 ] - [ -0.0000974600000000, 0.0000278300000000, -0.0000362400000000 ] - [ -0.0001827500000000, -0.0000447800000000, 0.0001308400000000 ] - [ 0.0002468000000000, -0.0001342400000000, 0.0002736100000000 ] - [ -0.0000280000000000, -0.0000790700000000, 0.0000821700000000 ] - [ -0.0000346200000000, 0.0000867500000000, 0.0000905800000000 ] - [ -0.0002343900000000, -0.0000048400000000, -0.0000514600000000 ] - [ -0.0001038900000000, -0.0000027900000000, 0.0001506300000000 ] - [ 0.0001044500000000, 0.0000130500000000, 0.0001748100000000 ] - [ 0.0001038900000000, 0.0000027900000000, 0.0001506300000000 ] - [ -0.0001044500000000, -0.0000130500000000, 0.0001748100000000 ] - [ 0.0001620600000000, -0.0000445200000000, 0.0001341300000000 ] - [ 0.0001632400000000, 0.0000557700000000, 0.0001507500000000 ] - [ 0.0000410600000000, -0.0000001800000000, 0.0000109200000000 ] - [ 0.0000280000000000, 0.0000790700000000, 0.0000821700000000 ] - [ 0.0000346200000000, -0.0000867500000000, 0.0000905800000000 ] - [ -0.0001017500000000, 0.0000565100000000, 0.0001133700000000 ] - [ -0.0002011100000000, 0.0000539800000000, -0.0000290400000000 ] - [ -0.0001797300000000, -0.0000239400000000, -0.0000838900000000 ] - [ 0.0000434300000000, 0.0000589600000000, 0.0002556400000000 ] - [ -0.0000410600000000, 0.0000001800000000, 0.0000109200000000 ] - [ -0.0001632400000000, -0.0000557700000000, 0.0001507500000000 ] - [ -0.0001620600000000, 0.0000445200000000, 0.0001341300000000 ] - [ 0.0002343900000000, 0.0000048400000000, -0.0000514600000000 ] - [ -0.0000434300000000, -0.0000589600000000, 0.0002556400000000 ] - [ 0.0001596500000000, 0.0000038000000000, -0.0000183400000000 ] - [ 0.0000950600000000, -0.0000064400000000, 0.0000898000000000 ] - [ 0.0001797300000000, 0.0000239400000000, -0.0000838900000000 ] - [ 0.0002011100000000, -0.0000539800000000, -0.0000290400000000 ] - [ 0.0000306200000000, -0.0000344000000000, 0.0017281200000000 ] - [ -0.0000632300000000, -0.0000590100000000, 0.0000623700000000 ] - [ 0.0000632300000000, 0.0000590100000000, 0.0000623700000000 ] - [ -0.0000306200000000, 0.0000344000000000, 0.0017281200000000 ] - [ -0.0000950600000000, 0.0000064400000000, 0.0000898000000000 ] - [ -0.0001596500000000, -0.0000038000000000, -0.0000183400000000 ] - [ 0.0001017500000000, -0.0000565100000000, 0.0001133700000000 ] - [ 0.0093675300000000, -0.0003080100000000, -0.0033913000000000 ] - [ 0.0000236500000000, 0.0001042400000000, 0.0000257800000000 ] - [ -0.0003557600000000, 0.0000891900000000, -0.0001081700000000 ] - [ -0.0001201500000000, -0.0001802900000000, 0.0000315200000000 ] - [ 0.0001296200000000, 0.0000669800000000, 0.0000211600000000 ] - [ 0.0001201500000000, 0.0001802900000000, 0.0000315200000000 ] - [ -0.0001296200000000, -0.0000669800000000, 0.0000211600000000 ] - [ 0.0000838000000000, -0.0000682600000000, -0.0002251500000000 ] - [ 0.0001001400000000, 0.0000010900000000, -0.0000463400000000 ] - [ 0.0002620100000000, 0.0000170000000000, -0.0001698700000000 ] - [ -0.0093675300000000, 0.0003080100000000, -0.0033913000000000 ] - [ -0.0000236500000000, -0.0001042400000000, 0.0000257800000000 ] - [ -0.0002468000000000, 0.0001342400000000, 0.0002736100000000 ] - [ -0.0000867400000000, 0.0005729200000000, -0.0002087600000000 ] - [ -0.0014196500000000, -0.0105043700000000, -0.0096255300000000 ] - [ 0.0002864400000000, 0.0001970000000000, 0.0003767900000000 ] - [ 0.0000248900000000, -0.0001349000000000, -0.0000519600000000 ] - [ -0.0009276700000000, 0.0006943300000000, 0.0001685200000000 ] - [ 0.0000769400000000, 0.0000318000000000, -0.0001849500000000 ] - [ 0.0000717700000000, -0.0000222600000000, -0.0002679300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0281562500000000 ] - [ -0.0000769400000000, -0.0000318000000000, -0.0001849500000000 ] - [ -0.0000717700000000, 0.0000222600000000, -0.0002679300000000 ] - [ -0.0000221800000000, -0.0000022700000000, -0.0000046100000000 ] - [ 0.0001017200000000, -0.0000040700000000, -0.0000145800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001820200000000 ] - [ 0.0000221800000000, 0.0000022700000000, -0.0000046100000000 ] - [ -0.0001017200000000, 0.0000040700000000, -0.0000145800000000 ] - [ -0.0006921700000000, 0.0000066400000000, -0.0013940200000000 ] - [ 0.0000809600000000, -0.0000359400000000, -0.0001898700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000845100000000 ] - [ 0.0006921700000000, -0.0000066400000000, -0.0013940200000000 ] - [ -0.0000809600000000, 0.0000359400000000, -0.0001898700000000 ] - [ -0.0000248900000000, 0.0001349000000000, -0.0000519600000000 ] - [ 0.0009276700000000, -0.0006943300000000, 0.0001685200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000939700000000 ] - [ -0.0002637200000000, -0.0001757500000000, -0.0000206000000000 ] - [ -0.0000722300000000, -0.0029496200000000, 0.0003477200000000 ] - [ 0.0020674500000000, 0.0017772000000000, 0.0013064000000000 ] - [ -0.0000315800000000, -0.0001621200000000, -0.0000848700000000 ] - [ 0.0000315800000000, 0.0001621200000000, -0.0000848700000000 ] - [ -0.0002137200000000, -0.0001814200000000, -0.0023044000000000 ] - [ 0.0002137200000000, 0.0001814200000000, -0.0023044000000000 ] - [ 0.0002235300000000, 0.0000019400000000, -0.0000298600000000 ] - [ 0.0001020200000000, 0.0001993600000000, -0.0000462700000000 ] - [ 0.0000909100000000, -0.0002035000000000, -0.0000218300000000 ] - [ -0.0001020200000000, -0.0001993600000000, -0.0000462700000000 ] - [ -0.0000909100000000, 0.0002035000000000, -0.0000218300000000 ] - [ -0.0002235300000000, -0.0000019400000000, -0.0000298600000000 ] - [ -0.0000362300000000, 0.0002241900000000, -0.0009887700000000 ] - [ 0.0000362300000000, -0.0002241900000000, -0.0009887700000000 ] - [ 0.0000488900000000, 0.0001723700000000, -0.0001547500000000 ] - [ -0.0000488900000000, -0.0001723700000000, -0.0001547500000000 ] - [ -0.0020674500000000, -0.0017772000000000, 0.0013064000000000 ] - [ 0.0002637200000000, 0.0001757500000000, -0.0000206000000000 ] - [ 0.0000722300000000, 0.0029496200000000, 0.0003477200000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0542938400000000, -0.0315419900000000, 0.0002457700000000 ] - [ 0.0105685400000000, -0.0007632300000000, -0.0131996100000000 ] - [ 0.0007428400000000, -0.0003075600000000, -0.0009237900000000 ] - [ 0.0558503100000000, 0.0406622000000000, -0.0039277000000000 ] - [ -0.0003326200000000, 0.0003579100000000, 0.0000663900000000 ] - [ 0.0000190500000000, -0.0000041900000000, -0.0000671500000000 ] - [ 0.0000661500000000, -0.0004064400000000, 0.0000941800000000 ] - [ 0.0006363300000000, 0.0004257400000000, -0.0003259600000000 ] - [ 0.0006208100000000, 0.0012028200000000, 0.0005519100000000 ] - [ 0.0001434200000000, -0.0000024300000000, -0.0000798400000000 ] - [ 0.0000321400000000, -0.0000693300000000, 0.0000267500000000 ] - [ 0.0000816100000000, 0.0000320900000000, -0.0000793000000000 ] - [ -0.0000199500000000, 0.0000740000000000, -0.0003088200000000 ] - [ 0.0001780000000000, 0.0002315200000000, -0.0001302700000000 ] - [ -0.0000731000000000, -0.0001673200000000, -0.0001421600000000 ] - [ 0.0003172500000000, -0.0000059400000000, -0.0002732800000000 ] - [ -0.0000471500000000, -0.0000902100000000, 0.0000536400000000 ] - [ -0.0000349100000000, 0.0000935600000000, 0.0000444200000000 ] - [ -0.0002338800000000, 0.0000060000000000, 0.0000040400000000 ] - [ -0.0001029400000000, 0.0000383500000000, -0.0000569700000000 ] - [ 0.0001024500000000, -0.0000045200000000, 0.0000225000000000 ] - [ 0.0001159800000000, 0.0000102500000000, 0.0000092400000000 ] - [ -0.0001001800000000, -0.0000325800000000, -0.0000460400000000 ] - [ 0.0001052500000000, 0.0000328300000000, 0.0000527500000000 ] - [ 0.0001172200000000, 0.0000068500000000, 0.0000904700000000 ] - [ 0.0001386400000000, 0.0000144500000000, -0.0000422200000000 ] - [ 0.0000483600000000, 0.0001072900000000, 0.0000492200000000 ] - [ 0.0000424900000000, -0.0001041200000000, 0.0000508700000000 ] - [ -0.0001144800000000, 0.0000720100000000, 0.0000515800000000 ] - [ -0.0000717200000000, 0.0000184000000000, -0.0000687800000000 ] - [ -0.0001144600000000, -0.0000285000000000, -0.0000799600000000 ] - [ 0.0001814800000000, -0.0000364600000000, 0.0003350600000000 ] - [ -0.0001097600000000, -0.0000131700000000, -0.0000295600000000 ] - [ -0.0001016400000000, 0.0000241600000000, 0.0000643200000000 ] - [ -0.0000920500000000, -0.0000075300000000, 0.0000588000000000 ] - [ 0.0002195100000000, -0.0000044800000000, 0.0000039400000000 ] - [ -0.0000798900000000, 0.0000038000000000, 0.0001373900000000 ] - [ 0.0002589300000000, -0.0001026000000000, -0.0001335200000000 ] - [ -0.0000013600000000, -0.0000301500000000, 0.0000092900000000 ] - [ 0.0001247100000000, 0.0000146600000000, -0.0001256100000000 ] - [ 0.0001345100000000, -0.0000204300000000, -0.0001412000000000 ] - [ -0.0000276800000000, -0.0000892000000000, 0.0004174800000000 ] - [ -0.0003727300000000, 0.0000246600000000, 0.0001258200000000 ] - [ -0.0001986400000000, 0.0001014900000000, 0.0004644900000000 ] - [ -0.0000735700000000, 0.0000045400000000, 0.0001842000000000 ] - [ -0.0000050700000000, -0.0000061600000000, 0.0000250300000000 ] - [ 0.0001615600000000, 0.0000220100000000, 0.0000815200000000 ] - [ 0.0001472600000000, 0.0000149300000000, 0.0000789300000000 ] - [ -0.0002064900000000, -0.0000143200000000, 0.0001590600000000 ] - [ 0.0066672400000000, -0.0050591000000000, -0.0001175900000000 ] - [ 0.0003719300000000, -0.0001814700000000, 0.0001972400000000 ] - [ -0.0000768500000000, -0.0001313600000000, 0.0000622200000000 ] - [ 0.0107028600000000, 0.0020630500000000, 0.0013790900000000 ] - [ 0.0007829200000000, 0.0002381300000000, 0.0010124700000000 ] - [ 0.0006986700000000, 0.0002085500000000, 0.0001604600000000 ] - [ 0.0001811300000000, -0.0000866400000000, 0.0001401100000000 ] - [ 0.0004382500000000, 0.0000347100000000, -0.0000273200000000 ] - [ 0.0014723800000000, 0.0007130800000000, -0.0001774800000000 ] - [ -0.0013212800000000, -0.0009697500000000, 0.0003126500000000 ] - [ 0.0189863400000000, -0.0064118200000000, -0.0011740200000000 ] - [ -0.0001556400000000, 0.0000258200000000, 0.0000245700000000 ] - [ -0.0004246800000000, 0.0001192200000000, 0.0000309200000000 ] - [ -0.0000028200000000, -0.0001110800000000, -0.0001698100000000 ] - [ 0.0000674800000000, 0.0000595500000000, 0.0000752000000000 ] - [ 0.0002638800000000, -0.0002359200000000, -0.0001946600000000 ] - [ 0.0005212300000000, -0.0007108700000000, -0.0027164400000000 ] - [ 0.0000180300000000, -0.0000325400000000, -0.0001150100000000 ] - [ 0.0000662600000000, -0.0000267700000000, -0.0001136800000000 ] - [ 0.0003228700000000, 0.0000448300000000, 0.0001070500000000 ] - [ -0.0000046500000000, -0.0000808400000000, -0.0001100000000000 ] - [ -0.0000808400000000, 0.0000440400000000, -0.0001018700000000 ] - [ -0.0000600700000000, -0.0000031600000000, 0.0003297800000000 ] - [ 0.0000831000000000, 0.0000094100000000, -0.0000244600000000 ] - [ 0.0044214800000000, -0.0004219900000000, -0.0000896100000000 ] - [ 0.0000675400000000, -0.0000008600000000, 0.0001320500000000 ] - [ -0.0000752700000000, -0.0000043400000000, -0.0000360400000000 ] - [ 0.0001772200000000, 0.0002237700000000, -0.0004827500000000 ] - [ 0.0002570200000000, -0.0002480500000000, -0.0027440100000000 ] - [ -0.0000018600000000, -0.0000099500000000, -0.0000396700000000 ] - [ -0.0002379300000000, 0.0000972900000000, -0.0002046100000000 ] - [ -0.0003216300000000, -0.0002427700000000, 0.0019862700000000 ] - [ 0.0000407500000000, -0.0000501300000000, -0.0000515700000000 ] - [ 0.0001496700000000, -0.0000909200000000, 0.0002219500000000 ] - [ 0.0000002600000000, 0.0000041200000000, -0.0000511000000000 ] - [ -0.1844265400000000, -0.0055476800000000, 0.0243883800000000 ] - [ 0.0149047700000000, 0.0057206600000000, -0.0049169600000000 ] - [ 0.0127507100000000, 0.0015188200000000, 0.0000757400000000 ] - [ -0.0007103800000000, 0.0001453300000000, -0.0002129100000000 ] - [ 0.0003910800000000, -0.0003031100000000, -0.0000429600000000 ] - [ -0.0000817100000000, 0.0000058400000000, 0.0003605200000000 ] - [ -0.0002529800000000, 0.0001893800000000, -0.0001331800000000 ] - [ -0.0000022400000000, 0.0000112200000000, 0.0000218300000000 ] - [ 0.0001315500000000, 0.0000308600000000, 0.0001853400000000 ] - [ 0.0001310100000000, -0.0000836200000000, 0.0000773000000000 ] - [ -0.0001331500000000, -0.0000361500000000, 0.0001128200000000 ] - [ -0.0001574000000000, 0.0000239800000000, 0.0000973500000000 ] - [ 0.0000060400000000, -0.0000210800000000, 0.0001385300000000 ] - [ -0.0001827600000000, -0.0000034700000000, -0.0004050100000000 ] - [ -0.0000151900000000, -0.0000267000000000, -0.0001295800000000 ] - [ -0.0000691900000000, 0.0000161400000000, -0.0000841000000000 ] - [ -0.0004436000000000, 0.0000995400000000, -0.0004367700000000 ] - [ -0.0004781000000000, -0.0000103100000000, 0.0000003500000000 ] - [ -0.0079829900000000, -0.0003587700000000, -0.0000115000000000 ] - [ -0.0003082700000000, 0.0001102400000000, 0.0001071800000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0564329600000000, 0.0331168900000000, -0.0003596100000000 ] - [ -0.0107420000000000, 0.0006713000000000, 0.0132773100000000 ] - [ -0.0010067100000000, 0.0003141900000000, 0.0010960900000000 ] - [ -0.0531234200000000, -0.0387398600000000, 0.0035595400000000 ] - [ 0.0002161500000000, -0.0003616900000000, 0.0001676500000000 ] - [ -0.0000275000000000, 0.0000562700000000, -0.0000412500000000 ] - [ -0.0000736800000000, 0.0003577000000000, -0.0001961300000000 ] - [ -0.0003607600000000, -0.0004031000000000, 0.0000252800000000 ] - [ -0.0002851400000000, -0.0012212400000000, -0.0008289400000000 ] - [ 0.0000065900000000, -0.0000191000000000, -0.0000365700000000 ] - [ -0.0001864500000000, 0.0000384200000000, -0.0001234200000000 ] - [ 0.0000695800000000, -0.0000082100000000, -0.0000341700000000 ] - [ -0.0001278600000000, -0.0000482500000000, 0.0001902800000000 ] - [ -0.0001757300000000, -0.0001959900000000, 0.0000229400000000 ] - [ 0.0000744200000000, 0.0001350000000000, 0.0000318600000000 ] - [ -0.0001387600000000, 0.0000031200000000, 0.0002646000000000 ] - [ 0.0000129300000000, -0.0001012300000000, 0.0000645700000000 ] - [ -0.0000145400000000, 0.0001062300000000, 0.0000804800000000 ] - [ -0.0001949000000000, -0.0000158200000000, -0.0000155300000000 ] - [ -0.0001095800000000, -0.0000136300000000, 0.0002073700000000 ] - [ 0.0001134300000000, 0.0000322400000000, 0.0001496400000000 ] - [ 0.0001002500000000, -0.0000283100000000, 0.0001662700000000 ] - [ -0.0001105900000000, 0.0000026400000000, 0.0001777800000000 ] - [ 0.0000928400000000, 0.0000019700000000, 0.0000741500000000 ] - [ 0.0000830900000000, -0.0000303300000000, 0.0000643300000000 ] - [ -0.0000042300000000, -0.0000225900000000, -0.0000063200000000 ] - [ -0.0000032200000000, 0.0000779000000000, 0.0000757100000000 ] - [ 0.0000136800000000, -0.0000710000000000, 0.0000818200000000 ] - [ -0.0000572600000000, -0.0000581800000000, -0.0000482700000000 ] - [ -0.0001711300000000, 0.0000277100000000, -0.0002437400000000 ] - [ -0.0001397300000000, -0.0000127200000000, -0.0002441100000000 ] - [ -0.0000776300000000, 0.0000513000000000, -0.0001168300000000 ] - [ -0.0000330800000000, 0.0000123500000000, -0.0000580200000000 ] - [ -0.0000396000000000, 0.0000761000000000, 0.0000096000000000 ] - [ -0.0000472100000000, -0.0000990200000000, 0.0000037100000000 ] - [ 0.0001600400000000, 0.0000064800000000, 0.0000412300000000 ] - [ -0.0000309100000000, -0.0000071700000000, 0.0000648900000000 ] - [ -0.0002686400000000, 0.0001352700000000, 0.0000307800000000 ] - [ -0.0000388500000000, -0.0000167800000000, -0.0001045700000000 ] - [ 0.0000801600000000, -0.0000006500000000, -0.0002036600000000 ] - [ 0.0000626500000000, 0.0000050700000000, -0.0001989900000000 ] - [ 0.0001789100000000, 0.0000805700000000, -0.0005240400000000 ] - [ 0.0002145500000000, -0.0000628700000000, -0.0002443800000000 ] - [ 0.0003563700000000, -0.0000651100000000, -0.0005561900000000 ] - [ -0.0000843700000000, 0.0000125200000000, -0.0002855500000000 ] - [ 0.0000417100000000, 0.0000296800000000, -0.0001215800000000 ] - [ -0.0001546300000000, -0.0000563400000000, -0.0001833500000000 ] - [ 0.0000278700000000, -0.0000147100000000, -0.0000641800000000 ] - [ 0.0001589000000000, -0.0001434700000000, -0.0000381400000000 ] - [ -0.0072225900000000, 0.0049174300000000, 0.0002220400000000 ] - [ -0.0007882000000000, 0.0001852400000000, -0.0002121100000000 ] - [ -0.0001359300000000, 0.0001541900000000, 0.0000813000000000 ] - [ -0.0105053300000000, -0.0020002500000000, -0.0012552500000000 ] - [ -0.0005859800000000, -0.0002583400000000, -0.0008708500000000 ] - [ -0.0009081600000000, -0.0002413200000000, 0.0000207800000000 ] - [ 0.0000247400000000, 0.0001095100000000, -0.0000064800000000 ] - [ -0.0002166300000000, -0.0000676200000000, 0.0001507100000000 ] - [ -0.0013732000000000, -0.0007087700000000, 0.0001259100000000 ] - [ 0.0013422900000000, 0.0011404600000000, -0.0001969500000000 ] - [ -0.0185553600000000, 0.0056541500000000, 0.0012140500000000 ] - [ -0.0000169100000000, -0.0000254500000000, -0.0000287700000000 ] - [ 0.0001565100000000, -0.0000741200000000, -0.0003383700000000 ] - [ -0.0002488800000000, 0.0000763900000000, -0.0001401000000000 ] - [ 0.0000275000000000, -0.0000575500000000, 0.0001450300000000 ] - [ -0.0002226000000000, 0.0002237700000000, 0.0003795400000000 ] - [ -0.0006892300000000, 0.0007136800000000, 0.0027388700000000 ] - [ 0.0000904000000000, 0.0000919300000000, -0.0001777900000000 ] - [ 0.0000476100000000, -0.0000303700000000, -0.0001838200000000 ] - [ -0.0003215700000000, -0.0000519500000000, -0.0002259200000000 ] - [ -0.0001043000000000, 0.0000196300000000, -0.0001906100000000 ] - [ -0.0000358000000000, 0.0000207700000000, -0.0001991300000000 ] - [ 0.0000093000000000, 0.0000006800000000, -0.0001521500000000 ] - [ 0.0000816200000000, -0.0000056800000000, 0.0000169600000000 ] - [ -0.0044040600000000, 0.0003868900000000, -0.0000338500000000 ] - [ -0.0000185600000000, 0.0000020200000000, 0.0000530700000000 ] - [ -0.0000716600000000, 0.0000088700000000, -0.0000021500000000 ] - [ -0.0000678800000000, -0.0001683600000000, 0.0001975600000000 ] - [ -0.0001524400000000, 0.0001795100000000, 0.0024456000000000 ] - [ -0.0000055900000000, 0.0000008300000000, -0.0000630700000000 ] - [ 0.0001284800000000, -0.0001623500000000, -0.0000877500000000 ] - [ 0.0002138800000000, 0.0002931600000000, -0.0022762300000000 ] - [ -0.0000890200000000, 0.0000495000000000, 0.0002355500000000 ] - [ 0.0000201800000000, 0.0000860600000000, -0.0002294400000000 ] - [ -0.0000078400000000, 0.0000007600000000, -0.0000540200000000 ] - [ 0.1840179900000000, 0.0023600300000000, -0.0233060000000000 ] - [ -0.0150965400000000, -0.0050683500000000, 0.0050313300000000 ] - [ -0.0129344800000000, -0.0014095200000000, -0.0002251200000000 ] - [ 0.0005808800000000, -0.0002339700000000, 0.0002483500000000 ] - [ -0.0002696000000000, 0.0004092000000000, 0.0000451600000000 ] - [ 0.0002232000000000, -0.0000919300000000, -0.0003126300000000 ] - [ 0.0001134400000000, -0.0000779500000000, 0.0001478500000000 ] - [ 0.0001610100000000, -0.0000073400000000, 0.0001616300000000 ] - [ 0.0000789500000000, 0.0001864800000000, 0.0000016500000000 ] - [ 0.0000824000000000, -0.0001392100000000, 0.0001004500000000 ] - [ -0.0001232200000000, -0.0000213000000000, 0.0001035100000000 ] - [ -0.0000991800000000, 0.0000356500000000, 0.0001251100000000 ] - [ 0.0000101100000000, 0.0000233600000000, 0.0001405500000000 ] - [ 0.0000775100000000, -0.0001506200000000, 0.0004284400000000 ] - [ 0.0001242600000000, 0.0001178900000000, 0.0001824800000000 ] - [ 0.0001887000000000, -0.0001182300000000, 0.0001079000000000 ] - [ 0.0003253700000000, 0.0000168200000000, 0.0004532600000000 ] - [ 0.0006882900000000, 0.0000042700000000, 0.0001294600000000 ] - [ 0.0081399900000000, 0.0005461900000000, 0.0001984300000000 ] - [ 0.0005131500000000, -0.0003783100000000, 0.0000856500000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0297346600000000, 0.0218295700000000, -0.0034693000000000 ] - [ -0.0003067200000000, 0.0080200900000000, -0.0130967000000000 ] - [ 0.0009461800000000, 0.0019201600000000, 0.0013572800000000 ] - [ 0.0309568200000000, 0.0285973500000000, -0.0058553300000000 ] - [ -0.0001170000000000, -0.0004248900000000, 0.0011855900000000 ] - [ 0.0000523400000000, -0.0005070000000000, -0.0001800200000000 ] - [ -0.0002367400000000, -0.0001443500000000, 0.0000164700000000 ] - [ 0.0005877800000000, 0.0013091900000000, -0.0010250300000000 ] - [ -0.0008981900000000, 0.0011051300000000, 0.0006927100000000 ] - [ 0.0000465900000000, 0.0001189000000000, -0.0000073200000000 ] - [ -0.0001163700000000, 0.0000209200000000, 0.0001954300000000 ] - [ -0.0000342900000000, 0.0000100300000000, 0.0001119400000000 ] - [ -0.0000657800000000, -0.0001115300000000, -0.0001194000000000 ] - [ 0.0007334400000000, -0.0001637500000000, 0.0001090000000000 ] - [ 0.0000305800000000, 0.0001440900000000, -0.0001219000000000 ] - [ -0.0000793500000000, 0.0002976000000000, 0.0001845300000000 ] - [ 0.0000021600000000, -0.0000701600000000, 0.0000786800000000 ] - [ 0.0000070500000000, 0.0000573900000000, 0.0000691200000000 ] - [ -0.0001985900000000, 0.0000074200000000, -0.0000179900000000 ] - [ -0.0001282800000000, -0.0000049100000000, 0.0002048100000000 ] - [ 0.0000939100000000, 0.0000250900000000, 0.0002079400000000 ] - [ 0.0001152500000000, -0.0000139300000000, 0.0001746900000000 ] - [ -0.0001057200000000, -0.0000178300000000, 0.0002487700000000 ] - [ 0.0000542900000000, 0.0000399400000000, 0.0000100000000000 ] - [ 0.0001001100000000, 0.0000194700000000, 0.0001009900000000 ] - [ -0.0000622500000000, 0.0000639200000000, 0.0000233200000000 ] - [ 0.0000040500000000, 0.0000777100000000, 0.0000728800000000 ] - [ 0.0000019200000000, -0.0000813000000000, 0.0000803800000000 ] - [ 0.0001407700000000, 0.0001210400000000, -0.0001776300000000 ] - [ -0.0002028900000000, 0.0000116400000000, -0.0002160700000000 ] - [ -0.0001627100000000, 0.0000054500000000, -0.0002414800000000 ] - [ -0.0001638300000000, 0.0001194700000000, -0.0001781600000000 ] - [ -0.0000001600000000, -0.0000215500000000, -0.0000591100000000 ] - [ -0.0000386300000000, 0.0000796800000000, 0.0000228500000000 ] - [ -0.0000298000000000, -0.0000807700000000, -0.0000062500000000 ] - [ 0.0001715200000000, -0.0000016100000000, 0.0000127100000000 ] - [ 0.0000244900000000, -0.0000636700000000, -0.0001268900000000 ] - [ 0.0000315700000000, 0.0000287200000000, -0.0002980100000000 ] - [ -0.0000301100000000, -0.0000317900000000, -0.0001011000000000 ] - [ 0.0000120000000000, -0.0000098700000000, -0.0002579200000000 ] - [ 0.0001101800000000, -0.0000248700000000, -0.0002664300000000 ] - [ 0.0000763100000000, -0.0000347400000000, 0.0001761600000000 ] - [ -0.0000285700000000, -0.0000161400000000, -0.0021808100000000 ] - [ 0.0001621900000000, 0.0002205600000000, -0.0012816100000000 ] - [ -0.0000242600000000, -0.0001165500000000, -0.0004305800000000 ] - [ 0.0000830500000000, 0.0000140000000000, -0.0000764500000000 ] - [ 0.0000493600000000, -0.0000100300000000, -0.0002299400000000 ] - [ -0.0000305800000000, -0.0000830500000000, -0.0002098200000000 ] - [ -0.0009157400000000, 0.0002384300000000, -0.0000660400000000 ] - [ -0.0033471300000000, 0.0002706800000000, -0.0006009700000000 ] - [ 0.0001192300000000, -0.0000765100000000, 0.0003185800000000 ] - [ -0.0001434000000000, -0.0000255600000000, 0.0000774400000000 ] - [ 0.0025788200000000, 0.0092749500000000, 0.0037701600000000 ] - [ 0.0004590100000000, 0.0019786100000000, -0.0006377400000000 ] - [ -0.0003263400000000, -0.0010978200000000, -0.0010996600000000 ] - [ -0.0000168000000000, -0.0002716000000000, 0.0005460400000000 ] - [ -0.0002704800000000, -0.0008643400000000, 0.0002226000000000 ] - [ -0.0014842600000000, -0.0005094800000000, 0.0003683900000000 ] - [ 0.0026633200000000, 0.0016859500000000, 0.0007660500000000 ] - [ -0.0063507400000000, 0.0140680100000000, -0.0000692200000000 ] - [ 0.0000354900000000, 0.0001053000000000, 0.0000987400000000 ] - [ -0.0004257800000000, -0.0008092000000000, 0.0009782700000000 ] - [ 0.0000048800000000, 0.0001401900000000, -0.0000970000000000 ] - [ -0.0000171000000000, -0.0000112000000000, 0.0002917900000000 ] - [ -0.0001417400000000, -0.0008001100000000, 0.0004745900000000 ] - [ 0.0001249800000000, -0.0004843600000000, 0.0018319700000000 ] - [ 0.0000214200000000, 0.0000126500000000, -0.0001670600000000 ] - [ 0.0001152800000000, -0.0000715700000000, -0.0002177500000000 ] - [ -0.0004154900000000, 0.0004257500000000, -0.0000342200000000 ] - [ 0.0000009500000000, -0.0000188900000000, -0.0001835600000000 ] - [ -0.0001148000000000, 0.0000158600000000, -0.0002120100000000 ] - [ 0.0000364600000000, 0.0000030700000000, -0.0001517000000000 ] - [ 0.0000843300000000, 0.0000072900000000, 0.0000665600000000 ] - [ -0.0010435200000000, -0.0013813300000000, -0.0031666600000000 ] - [ -0.0000344100000000, -0.0000029400000000, -0.0000473200000000 ] - [ -0.0000730900000000, 0.0000019200000000, 0.0000538400000000 ] - [ -0.0002256100000000, 0.0001679800000000, 0.0001735900000000 ] - [ -0.0004927900000000, -0.0002413800000000, 0.0036059900000000 ] - [ -0.0000065500000000, -0.0000097400000000, -0.0000577100000000 ] - [ 0.0001320700000000, 0.0001726700000000, -0.0000167400000000 ] - [ 0.0001392000000000, -0.0002282500000000, 0.0027724600000000 ] - [ -0.0000351500000000, 0.0004082500000000, 0.0006705800000000 ] - [ 0.0001093400000000, 0.0004325800000000, -0.0003383800000000 ] - [ -0.0000080300000000, 0.0000084000000000, -0.0000771300000000 ] - [ -0.0043589300000000, -0.1310162700000000, 0.0088691300000000 ] - [ -0.0053927300000000, 0.0307460000000000, -0.0065237600000000 ] - [ 0.0150909100000000, 0.0063615000000000, 0.0121696600000000 ] - [ 0.0005702000000000, -0.0001899800000000, -0.0002112800000000 ] - [ -0.0007394700000000, 0.0003477600000000, -0.0012676200000000 ] - [ -0.0007471100000000, -0.0002478300000000, 0.0004530300000000 ] - [ 0.0007301200000000, 0.0004310400000000, -0.0000341900000000 ] - [ 0.0004215900000000, 0.0000388200000000, 0.0000674800000000 ] - [ -0.0000048100000000, 0.0002674800000000, 0.0001341200000000 ] - [ 0.0000474400000000, -0.0003343600000000, -0.0000117500000000 ] - [ -0.0000807000000000, -0.0000916300000000, 0.0000971500000000 ] - [ -0.0000763800000000, 0.0000510800000000, 0.0001215200000000 ] - [ -0.0000495300000000, 0.0000330800000000, 0.0002113000000000 ] - [ -0.0001023900000000, -0.0003675600000000, -0.0001878900000000 ] - [ 0.0000124700000000, 0.0002242800000000, 0.0004274100000000 ] - [ 0.0001891200000000, -0.0002407300000000, 0.0013422300000000 ] - [ -0.0001450600000000, 0.0004087300000000, 0.0007458500000000 ] - [ 0.0025175900000000, 0.0006933300000000, -0.0019282200000000 ] - [ -0.0003101100000000, 0.0092505300000000, -0.0000663200000000 ] - [ -0.0001065300000000, -0.0011097000000000, 0.0006403600000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0285228700000000, -0.0213217300000000, 0.0032336100000000 ] - [ 0.0001920900000000, -0.0077257200000000, 0.0130338900000000 ] - [ -0.0012282400000000, -0.0017720700000000, -0.0009676000000000 ] - [ -0.0292751500000000, -0.0281334600000000, 0.0056544300000000 ] - [ 0.0000306100000000, 0.0004855000000000, -0.0009390300000000 ] - [ -0.0000923100000000, 0.0005686000000000, 0.0000777300000000 ] - [ 0.0000716800000000, 0.0000804800000000, -0.0001341600000000 ] - [ -0.0003880500000000, -0.0013055100000000, 0.0007157300000000 ] - [ 0.0011759000000000, -0.0011278400000000, -0.0011122000000000 ] - [ 0.0001081900000000, -0.0001505200000000, -0.0000795600000000 ] - [ -0.0000476700000000, 0.0000032100000000, -0.0003417100000000 ] - [ 0.0001933600000000, -0.0000286000000000, -0.0002383500000000 ] - [ -0.0001021100000000, 0.0001600100000000, 0.0000317700000000 ] - [ -0.0005753800000000, 0.0002214900000000, -0.0002352300000000 ] - [ 0.0000107000000000, -0.0001985500000000, 0.0000130900000000 ] - [ 0.0002347900000000, -0.0002336100000000, -0.0001946100000000 ] - [ -0.0000448200000000, -0.0001128900000000, 0.0000606200000000 ] - [ -0.0000739700000000, 0.0001243300000000, 0.0000361000000000 ] - [ -0.0002580900000000, 0.0000060200000000, -0.0000343200000000 ] - [ -0.0000835900000000, 0.0000422000000000, -0.0000323000000000 ] - [ 0.0001193400000000, -0.0000232800000000, -0.0000624100000000 ] - [ 0.0000964800000000, -0.0000239300000000, 0.0000080200000000 ] - [ -0.0001094900000000, 0.0000228600000000, -0.0001103200000000 ] - [ 0.0001701500000000, -0.0000445600000000, 0.0001603600000000 ] - [ 0.0001208400000000, -0.0000047100000000, 0.0000645000000000 ] - [ 0.0001534800000000, -0.0000537200000000, -0.0000520600000000 ] - [ 0.0000460700000000, 0.0000960700000000, 0.0000758900000000 ] - [ 0.0000713700000000, -0.0000961800000000, 0.0000318300000000 ] - [ -0.0002846500000000, -0.0001224900000000, 0.0001748000000000 ] - [ -0.0000754400000000, 0.0000517000000000, -0.0001144300000000 ] - [ -0.0001313100000000, -0.0000568300000000, -0.0000807400000000 ] - [ 0.0002434500000000, -0.0001182700000000, 0.0004003200000000 ] - [ -0.0001404300000000, 0.0000158800000000, -0.0000031300000000 ] - [ -0.0001228000000000, 0.0000017400000000, 0.0000810900000000 ] - [ -0.0001319300000000, -0.0000081900000000, 0.0001042600000000 ] - [ 0.0002425800000000, -0.0000031000000000, 0.0000106000000000 ] - [ -0.0001247200000000, 0.0000690500000000, 0.0003294400000000 ] - [ -0.0000322700000000, 0.0000037300000000, 0.0001889800000000 ] - [ -0.0000256500000000, -0.0000105700000000, -0.0000166400000000 ] - [ 0.0002066900000000, 0.0000323100000000, -0.0000568200000000 ] - [ 0.0000916300000000, 0.0000008700000000, -0.0000697900000000 ] - [ 0.0000756900000000, 0.0000419200000000, -0.0003369400000000 ] - [ -0.0001235100000000, 0.0000083000000000, 0.0020292100000000 ] - [ -0.0000103200000000, -0.0002163200000000, 0.0011249800000000 ] - [ -0.0001362000000000, 0.0001244400000000, 0.0002850800000000 ] - [ -0.0000252200000000, 0.0000259900000000, -0.0000380400000000 ] - [ -0.0000430400000000, -0.0000321100000000, 0.0001246500000000 ] - [ 0.0001869000000000, 0.0000941200000000, 0.0002090100000000 ] - [ 0.0008104400000000, -0.0003594400000000, 0.0001852000000000 ] - [ 0.0030700500000000, -0.0005810300000000, 0.0007179200000000 ] - [ -0.0005666500000000, 0.0000654300000000, -0.0003299100000000 ] - [ -0.0000720200000000, 0.0000592800000000, 0.0000614700000000 ] - [ -0.0023956400000000, -0.0092839100000000, -0.0036548600000000 ] - [ -0.0002427400000000, -0.0019719900000000, 0.0006800600000000 ] - [ 0.0001131400000000, 0.0010778300000000, 0.0012521300000000 ] - [ 0.0001946800000000, 0.0003269200000000, -0.0004161000000000 ] - [ 0.0004505000000000, 0.0008177700000000, -0.0001108600000000 ] - [ 0.0015824800000000, 0.0004931300000000, -0.0004221500000000 ] - [ -0.0025454000000000, -0.0014104800000000, -0.0006730000000000 ] - [ 0.0070080800000000, -0.0154201700000000, 0.0001427000000000 ] - [ -0.0002049200000000, -0.0001631000000000, -0.0001050300000000 ] - [ 0.0002062600000000, 0.0008270600000000, -0.0013205000000000 ] - [ -0.0002609100000000, -0.0001957700000000, -0.0002230700000000 ] - [ 0.0001154700000000, -0.0000370500000000, -0.0000769700000000 ] - [ 0.0001754300000000, 0.0007874000000000, -0.0002284100000000 ] - [ -0.0002060600000000, 0.0005250100000000, -0.0019331300000000 ] - [ 0.0000599500000000, 0.0000377800000000, -0.0001041800000000 ] - [ -0.0000148600000000, 0.0000117300000000, -0.0000735600000000 ] - [ 0.0003946200000000, -0.0004617800000000, -0.0000987800000000 ] - [ -0.0000902400000000, -0.0000450300000000, -0.0000969700000000 ] - [ 0.0000089400000000, 0.0000435900000000, -0.0000809100000000 ] - [ -0.0000754400000000, 0.0000013700000000, 0.0002954300000000 ] - [ 0.0000817800000000, -0.0000083400000000, -0.0000636500000000 ] - [ 0.0010309400000000, 0.0013988000000000, 0.0030344900000000 ] - [ 0.0000788000000000, 0.0000019000000000, 0.0002235000000000 ] - [ -0.0000867300000000, 0.0000065800000000, -0.0000789900000000 ] - [ 0.0003039300000000, -0.0001297700000000, -0.0004154800000000 ] - [ 0.0005697700000000, 0.0002113800000000, -0.0038734100000000 ] - [ -0.0000049800000000, -0.0000010100000000, -0.0000591600000000 ] - [ -0.0002188900000000, -0.0002524900000000, -0.0002443000000000 ] - [ -0.0002238900000000, 0.0003154600000000, -0.0030442400000000 ] - [ -0.0000147200000000, -0.0004039400000000, -0.0004774700000000 ] - [ 0.0000391200000000, -0.0004358500000000, 0.0003014100000000 ] - [ -0.0000024500000000, 0.0000017300000000, -0.0000446800000000 ] - [ 0.0034743700000000, 0.1293750700000000, -0.0086388000000000 ] - [ 0.0053455400000000, -0.0293871400000000, 0.0074287800000000 ] - [ -0.0151288800000000, -0.0059218600000000, -0.0121556800000000 ] - [ -0.0007196000000000, -0.0000368100000000, 0.0002334600000000 ] - [ 0.0008673300000000, -0.0001977800000000, 0.0013483700000000 ] - [ 0.0009063300000000, 0.0001033100000000, -0.0004426900000000 ] - [ -0.0009126200000000, -0.0003367400000000, 0.0000926200000000 ] - [ -0.0001201000000000, -0.0000485000000000, 0.0000754900000000 ] - [ 0.0001879100000000, 0.0000487900000000, 0.0000281100000000 ] - [ 0.0001320400000000, 0.0000263800000000, 0.0001789300000000 ] - [ -0.0001507300000000, -0.0000281900000000, 0.0001205100000000 ] - [ -0.0001533100000000, 0.0000962400000000, 0.0000840100000000 ] - [ -0.0000046900000000, -0.0000241200000000, 0.0000315200000000 ] - [ -0.0000249000000000, 0.0002045700000000, 0.0003038800000000 ] - [ 0.0001070600000000, -0.0000588700000000, -0.0003403300000000 ] - [ -0.0000699400000000, 0.0001284800000000, -0.0012801500000000 ] - [ 0.0000067500000000, -0.0002927200000000, -0.0006422500000000 ] - [ -0.0023089200000000, -0.0006771500000000, 0.0020560300000000 ] - [ 0.0005125300000000, -0.0090062200000000, 0.0002897100000000 ] - [ 0.0003075000000000, 0.0008281700000000, -0.0004256700000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013231300000000, -0.0027923600000000, 0.0084702000000000 ] - [ -0.0111303600000000, -0.0094742500000000, 0.0686023700000000 ] - [ 0.0005598000000000, 0.0010843000000000, 0.0004216600000000 ] - [ -0.0107240600000000, -0.0112798800000000, 0.0069240800000000 ] - [ -0.0006279100000000, -0.0005429900000000, -0.0000000200000000 ] - [ 0.0000496600000000, -0.0003414400000000, -0.0000764800000000 ] - [ -0.0004112300000000, -0.0004893400000000, 0.0000201300000000 ] - [ 0.0018099400000000, 0.0012985800000000, -0.0008050900000000 ] - [ 0.0003336600000000, 0.0005948400000000, 0.0007257000000000 ] - [ 0.0001823800000000, 0.0000361400000000, -0.0001202300000000 ] - [ 0.0000545000000000, -0.0001029500000000, 0.0000722900000000 ] - [ 0.0000056500000000, 0.0000580600000000, -0.0000076000000000 ] - [ -0.0000589200000000, -0.0000062800000000, -0.0003540000000000 ] - [ 0.0005384100000000, 0.0002052300000000, -0.0000249900000000 ] - [ -0.0002677300000000, -0.0000417500000000, -0.0001355500000000 ] - [ 0.0004751600000000, -0.0002212300000000, -0.0002323800000000 ] - [ -0.0000225400000000, -0.0000867100000000, 0.0000112600000000 ] - [ -0.0000020600000000, 0.0000808700000000, 0.0000057900000000 ] - [ -0.0002286600000000, 0.0000145600000000, -0.0000376000000000 ] - [ -0.0001066700000000, 0.0000013300000000, -0.0002752600000000 ] - [ 0.0001033900000000, 0.0000139800000000, 0.0000366900000000 ] - [ 0.0001292200000000, 0.0000268500000000, -0.0000947200000000 ] - [ -0.0000900800000000, -0.0000549000000000, -0.0000808500000000 ] - [ -0.0000167600000000, 0.0000915900000000, -0.0001240100000000 ] - [ 0.0000701700000000, 0.0000038700000000, 0.0000191400000000 ] - [ 0.0000408900000000, 0.0000594100000000, -0.0000234100000000 ] - [ 0.0000425800000000, 0.0000645800000000, 0.0000125600000000 ] - [ 0.0000253100000000, -0.0000773300000000, 0.0000270600000000 ] - [ 0.0006065700000000, 0.0002623500000000, -0.0005210900000000 ] - [ -0.0000791100000000, 0.0001126400000000, -0.0002366800000000 ] - [ -0.0000828200000000, -0.0000710800000000, -0.0003426700000000 ] - [ -0.0005340300000000, 0.0003217500000000, -0.0006520200000000 ] - [ -0.0000951000000000, -0.0000225700000000, -0.0000279500000000 ] - [ -0.0000269800000000, 0.0000894700000000, -0.0000084000000000 ] - [ -0.0000125200000000, -0.0001026500000000, -0.0000583700000000 ] - [ 0.0001966900000000, -0.0000090000000000, 0.0000247400000000 ] - [ 0.0000107400000000, -0.0000619300000000, -0.0000146100000000 ] - [ 0.0007774900000000, -0.0001772900000000, -0.0005589100000000 ] - [ 0.0000575900000000, -0.0000341100000000, -0.0000075900000000 ] - [ 0.0000445600000000, -0.0000367400000000, -0.0002222000000000 ] - [ 0.0001020900000000, -0.0000007600000000, -0.0002043000000000 ] - [ 0.0001549200000000, -0.0000575800000000, 0.0003617100000000 ] - [ -0.0000722000000000, -0.0002629800000000, -0.0000853300000000 ] - [ 0.0000244400000000, -0.0003029300000000, -0.0014850400000000 ] - [ -0.0000620900000000, 0.0000183400000000, -0.0001183700000000 ] - [ -0.0000604700000000, 0.0000107100000000, -0.0000225300000000 ] - [ -0.0006191100000000, -0.0002741800000000, -0.0004666300000000 ] - [ -0.0000121100000000, -0.0000988100000000, -0.0000456500000000 ] - [ -0.0002162900000000, -0.0002030400000000, -0.0000996700000000 ] - [ 0.0010552900000000, 0.0007716600000000, 0.0069770000000000 ] - [ -0.0002748500000000, -0.0000499900000000, 0.0001001900000000 ] - [ -0.0000934500000000, -0.0000571000000000, 0.0003282100000000 ] - [ 0.0001633600000000, 0.0003985000000000, 0.0271096200000000 ] - [ -0.0004499300000000, 0.0004133200000000, 0.0018308500000000 ] - [ -0.0001863300000000, -0.0015659100000000, 0.0011608600000000 ] - [ 0.0001458900000000, -0.0000438700000000, 0.0002345800000000 ] - [ 0.0004233400000000, -0.0000358200000000, 0.0005678300000000 ] - [ 0.0001335100000000, -0.0002362900000000, -0.0002277900000000 ] - [ 0.0002005200000000, -0.0000970500000000, 0.0004366700000000 ] - [ -0.0020921100000000, 0.0007940800000000, 0.0057425800000000 ] - [ -0.0001670700000000, 0.0002111300000000, 0.0000096200000000 ] - [ -0.0004679400000000, 0.0000651500000000, 0.0002393900000000 ] - [ 0.0003267500000000, 0.0000830900000000, -0.0000778900000000 ] - [ 0.0000734700000000, 0.0000994400000000, 0.0001714300000000 ] - [ -0.0002722300000000, -0.0039092800000000, 0.0036949800000000 ] - [ -0.0031332200000000, 0.0026775600000000, 0.0002409900000000 ] - [ 0.0000141900000000, -0.0000395800000000, 0.0000793700000000 ] - [ 0.0000884100000000, -0.0000314800000000, -0.0001376800000000 ] - [ -0.0000263700000000, 0.0000350500000000, 0.0000403100000000 ] - [ 0.0000020000000000, -0.0000875100000000, 0.0000922000000000 ] - [ -0.0001008300000000, 0.0000644200000000, -0.0001299300000000 ] - [ 0.0000013200000000, 0.0002842400000000, 0.0007190200000000 ] - [ 0.0001097400000000, -0.0000032500000000, 0.0002912200000000 ] - [ 0.0001757500000000, -0.0007562800000000, -0.0003565700000000 ] - [ 0.0000330600000000, -0.0000734100000000, 0.0001648400000000 ] - [ -0.0000788000000000, 0.0000152600000000, 0.0000452700000000 ] - [ -0.0001403000000000, -0.0000798900000000, -0.0002160300000000 ] - [ -0.0033765000000000, 0.0035746900000000, -0.0001335200000000 ] - [ -0.0000030900000000, 0.0000117600000000, 0.0000538200000000 ] - [ 0.0001582700000000, -0.0001409700000000, -0.0002413600000000 ] - [ 0.0033178500000000, 0.0033588700000000, -0.0003824200000000 ] - [ -0.0000187500000000, 0.0003075300000000, 0.0003876300000000 ] - [ 0.0001783500000000, -0.0001118700000000, -0.0001186300000000 ] - [ -0.0000041000000000, -0.0000155700000000, 0.0000046300000000 ] - [ 0.0241890800000000, 0.0087058700000000, -0.1477543000000000 ] - [ -0.0049367700000000, 0.0074704700000000, 0.0023626700000000 ] - [ 0.0032976500000000, -0.0000956200000000, 0.0156246800000000 ] - [ -0.0006955000000000, -0.0003025300000000, -0.0002410100000000 ] - [ 0.0007644800000000, 0.0002690500000000, -0.0002264200000000 ] - [ -0.0003734000000000, 0.0004908700000000, 0.0003102000000000 ] - [ 0.0002459000000000, 0.0001239500000000, -0.0001818100000000 ] - [ 0.0001654400000000, 0.0000795100000000, 0.0005333700000000 ] - [ 0.0000163900000000, 0.0000794400000000, 0.0003978100000000 ] - [ 0.0001194400000000, -0.0002215300000000, 0.0002861900000000 ] - [ -0.0001130800000000, -0.0000289900000000, 0.0001894100000000 ] - [ -0.0001354000000000, 0.0000038200000000, 0.0002885100000000 ] - [ 0.0000198600000000, 0.0000441100000000, 0.0002637600000000 ] - [ -0.0002131800000000, -0.0006626600000000, -0.0003258900000000 ] - [ 0.0000489200000000, 0.0001864000000000, 0.0000473600000000 ] - [ 0.0001606000000000, 0.0006593200000000, 0.0000545800000000 ] - [ -0.0001379300000000, -0.0000189700000000, 0.0019373000000000 ] - [ -0.0006327500000000, -0.0005555000000000, -0.0001274800000000 ] - [ 0.0002173600000000, 0.0002729200000000, -0.0004302100000000 ] - [ 0.0001185800000000, 0.0004470900000000, 0.0001248100000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011362800000000, 0.0026121300000000, -0.0083924200000000 ] - [ 0.0103104700000000, 0.0087342100000000, -0.0646360800000000 ] - [ -0.0008915100000000, -0.0008534200000000, 0.0000067700000000 ] - [ 0.0111702400000000, 0.0111455100000000, -0.0071187800000000 ] - [ 0.0005724300000000, 0.0005570500000000, 0.0003242400000000 ] - [ 0.0000537100000000, 0.0003689700000000, -0.0000065400000000 ] - [ 0.0004759000000000, 0.0004453800000000, -0.0001015700000000 ] - [ -0.0013366100000000, -0.0011620200000000, 0.0004766400000000 ] - [ 0.0000751900000000, -0.0006903000000000, -0.0009891500000000 ] - [ -0.0000270000000000, -0.0000585000000000, 0.0000090300000000 ] - [ -0.0002001900000000, 0.0001008400000000, -0.0001792700000000 ] - [ 0.0001425000000000, -0.0000469400000000, -0.0001059500000000 ] - [ -0.0000855100000000, 0.0000093400000000, 0.0002319800000000 ] - [ -0.0005952300000000, -0.0001670600000000, -0.0000659100000000 ] - [ 0.0001540600000000, 0.0000095100000000, 0.0000435900000000 ] - [ -0.0003418300000000, 0.0002271300000000, 0.0002578100000000 ] - [ -0.0000259900000000, -0.0001175400000000, 0.0001237900000000 ] - [ -0.0000438200000000, 0.0001082700000000, 0.0001190900000000 ] - [ -0.0002213200000000, -0.0000096300000000, -0.0000100000000000 ] - [ -0.0001063500000000, 0.0000071400000000, 0.0004271500000000 ] - [ 0.0001105000000000, 0.0000055200000000, 0.0001356100000000 ] - [ 0.0000870400000000, -0.0000527500000000, 0.0002737900000000 ] - [ -0.0001220100000000, 0.0000473400000000, 0.0002426300000000 ] - [ 0.0002477000000000, -0.0001000600000000, 0.0003003100000000 ] - [ 0.0001583400000000, -0.0000005500000000, 0.0001418600000000 ] - [ 0.0000632800000000, -0.0000507600000000, 0.0000017500000000 ] - [ 0.0000228600000000, 0.0001041800000000, 0.0001320900000000 ] - [ 0.0000396300000000, -0.0001030300000000, 0.0001070200000000 ] - [ -0.0007397600000000, -0.0003006000000000, 0.0005146800000000 ] - [ -0.0001988300000000, -0.0000555200000000, -0.0000771600000000 ] - [ -0.0001998100000000, -0.0000087100000000, 0.0000760700000000 ] - [ 0.0006047500000000, -0.0003512600000000, 0.0008798400000000 ] - [ -0.0000575100000000, 0.0000251700000000, -0.0000355200000000 ] - [ -0.0001104400000000, 0.0000351700000000, 0.0000888300000000 ] - [ -0.0001230900000000, -0.0000214400000000, 0.0001386700000000 ] - [ 0.0002035900000000, 0.0000114000000000, 0.0000262000000000 ] - [ -0.0000982500000000, 0.0000789900000000, 0.0002009600000000 ] - [ -0.0006118000000000, 0.0001959000000000, 0.0004593200000000 ] - [ 0.0000367500000000, 0.0000255000000000, -0.0001033200000000 ] - [ 0.0001599900000000, 0.0000508700000000, -0.0000724000000000 ] - [ 0.0001010800000000, 0.0000020100000000, -0.0001044100000000 ] - [ -0.0000053300000000, 0.0000471600000000, -0.0005163900000000 ] - [ -0.0000759800000000, 0.0002546800000000, -0.0000816300000000 ] - [ 0.0001241900000000, 0.0002792800000000, 0.0013054000000000 ] - [ -0.0000826100000000, 0.0000114000000000, -0.0000299200000000 ] - [ -0.0000190500000000, 0.0000311800000000, -0.0000835300000000 ] - [ 0.0004677300000000, 0.0002526500000000, 0.0003664400000000 ] - [ 0.0001675200000000, 0.0001179600000000, 0.0000369600000000 ] - [ 0.0001252700000000, 0.0000962000000000, 0.0002203600000000 ] - [ -0.0012173900000000, -0.0008062800000000, -0.0068328000000000 ] - [ -0.0001600100000000, 0.0000486800000000, -0.0001145900000000 ] - [ -0.0001209400000000, 0.0001057400000000, -0.0002037700000000 ] - [ -0.0000581900000000, -0.0006593900000000, -0.0291351200000000 ] - [ 0.0006563000000000, -0.0003757300000000, -0.0018682400000000 ] - [ -0.0000286200000000, 0.0015578000000000, -0.0010586900000000 ] - [ 0.0000419000000000, 0.0000771600000000, -0.0000819300000000 ] - [ -0.0002296900000000, -0.0000024200000000, -0.0004264400000000 ] - [ -0.0000114000000000, 0.0002246000000000, 0.0001928800000000 ] - [ -0.0001809100000000, 0.0002917000000000, -0.0003347700000000 ] - [ 0.0020021600000000, -0.0009410400000000, -0.0056337900000000 ] - [ 0.0000020600000000, -0.0002177200000000, 0.0000132600000000 ] - [ 0.0002100000000000, -0.0000367200000000, -0.0005231200000000 ] - [ -0.0005522500000000, -0.0001012900000000, -0.0001857300000000 ] - [ 0.0000180800000000, -0.0001055000000000, 0.0000658600000000 ] - [ 0.0003168200000000, 0.0039342600000000, -0.0035256600000000 ] - [ 0.0029457800000000, -0.0026500300000000, -0.0001985700000000 ] - [ 0.0001018000000000, 0.0001001500000000, -0.0003784500000000 ] - [ 0.0000385100000000, -0.0000316600000000, -0.0001720000000000 ] - [ 0.0000393800000000, -0.0000353400000000, -0.0001581200000000 ] - [ -0.0001150000000000, 0.0000273600000000, -0.0003985400000000 ] - [ -0.0000269400000000, -0.0000020500000000, -0.0001826300000000 ] - [ -0.0000463900000000, -0.0002838300000000, -0.0005420700000000 ] - [ 0.0000708100000000, -0.0000039000000000, -0.0002733900000000 ] - [ -0.0001517000000000, 0.0007436100000000, 0.0002185700000000 ] - [ 0.0000174000000000, 0.0000714500000000, 0.0000264600000000 ] - [ -0.0000832500000000, -0.0000186500000000, -0.0000634700000000 ] - [ 0.0002571500000000, 0.0001328200000000, -0.0000757000000000 ] - [ 0.0035338600000000, -0.0036528400000000, -0.0001725500000000 ] - [ -0.0000082800000000, -0.0000278500000000, -0.0001509600000000 ] - [ -0.0002723200000000, 0.0000709200000000, -0.0000571800000000 ] - [ -0.0034723600000000, -0.0033120000000000, 0.0000821300000000 ] - [ -0.0000311500000000, -0.0003123100000000, -0.0001996600000000 ] - [ -0.0000081800000000, 0.0001025700000000, 0.0001168300000000 ] - [ -0.0000060200000000, 0.0000305000000000, -0.0001054800000000 ] - [ -0.0235481100000000, -0.0085793500000000, 0.1459419900000000 ] - [ 0.0049582200000000, -0.0066446000000000, -0.0022843200000000 ] - [ -0.0042655700000000, 0.0001500900000000, -0.0152247700000000 ] - [ 0.0005407600000000, 0.0002564400000000, 0.0002632900000000 ] - [ -0.0006501000000000, -0.0001765600000000, 0.0002416300000000 ] - [ 0.0004915500000000, -0.0005109000000000, -0.0002204200000000 ] - [ -0.0003792900000000, -0.0000679400000000, 0.0001813100000000 ] - [ 0.0000924400000000, -0.0000792200000000, -0.0003735500000000 ] - [ 0.0002017700000000, 0.0002092200000000, -0.0002386800000000 ] - [ 0.0000991800000000, -0.0000604700000000, -0.0001394100000000 ] - [ -0.0001475500000000, -0.0000384700000000, 0.0000290700000000 ] - [ -0.0001250000000000, 0.0000669600000000, -0.0000704800000000 ] - [ 0.0000246100000000, -0.0000489200000000, 0.0000209400000000 ] - [ 0.0000939500000000, 0.0006027000000000, 0.0003463400000000 ] - [ 0.0000553500000000, -0.0001377400000000, -0.0000837500000000 ] - [ -0.0000469600000000, -0.0006618600000000, -0.0000562800000000 ] - [ 0.0000161200000000, 0.0000835300000000, -0.0019598500000000 ] - [ 0.0008289000000000, 0.0005105600000000, 0.0003474500000000 ] - [ -0.0000287700000000, 0.0000419800000000, 0.0005732600000000 ] - [ 0.0000988600000000, -0.0007062000000000, 0.0000847000000000 ]- atom: 87 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028154800000000, 0.0000000000000000, 0.0003467100000000 ] - [ 0.0387654000000000, 0.0295527400000000, -0.0096073700000000 ] - [ 0.0387654000000000, -0.0295527400000000, -0.0096073700000000 ] - [ 0.0070598400000000, 0.0000000000000000, -0.0256204100000000 ] - [ 0.0083822400000000, 0.0000000000000000, -0.0007180500000000 ] - [ 0.0003709500000000, -0.0004717800000000, -0.0003465700000000 ] - [ 0.0003709500000000, 0.0004717800000000, -0.0003465700000000 ] - [ 0.0120029400000000, 0.0112304700000000, -0.0003325500000000 ] - [ 0.0120029400000000, -0.0112304700000000, -0.0003325500000000 ] - [ -0.0001420000000000, -0.0000854800000000, -0.0001112500000000 ] - [ 0.0001972100000000, 0.0004008900000000, -0.0000061400000000 ] - [ -0.0001420000000000, 0.0000854800000000, -0.0001112500000000 ] - [ 0.0001972100000000, -0.0004008900000000, -0.0000061400000000 ] - [ -0.0004980600000000, -0.0009439500000000, 0.0000285600000000 ] - [ -0.0004980600000000, 0.0009439500000000, 0.0000285600000000 ] - [ -0.0006993900000000, 0.0000000000000000, 0.0007051800000000 ] - [ -0.0000133200000000, -0.0000144400000000, 0.0000602000000000 ] - [ -0.0000133200000000, 0.0000144400000000, 0.0000602000000000 ] - [ -0.0001718200000000, 0.0000000000000000, -0.0000299700000000 ] - [ -0.0000826400000000, -0.0000117100000000, 0.0003247400000000 ] - [ 0.0001127600000000, 0.0000239400000000, 0.0001411000000000 ] - [ 0.0001127600000000, -0.0000239400000000, 0.0001411000000000 ] - [ -0.0000826400000000, 0.0000117100000000, 0.0003247400000000 ] - [ 0.0000100800000000, 0.0000005900000000, 0.0000516300000000 ] - [ 0.0000100800000000, -0.0000005900000000, 0.0000516300000000 ] - [ -0.0001085800000000, 0.0000000000000000, 0.0001310500000000 ] - [ 0.0000211900000000, 0.0000668400000000, 0.0000959200000000 ] - [ 0.0000211900000000, -0.0000668400000000, 0.0000959200000000 ] - [ 0.0002322200000000, 0.0000000000000000, -0.0002789400000000 ] - [ -0.0000141400000000, 0.0000482600000000, -0.0002950000000000 ] - [ -0.0000141400000000, -0.0000482600000000, -0.0002950000000000 ] - [ -0.0001133800000000, 0.0000000000000000, -0.0003150200000000 ] - [ -0.0000465600000000, 0.0000000000000000, 0.0000297100000000 ] - [ -0.0000691300000000, -0.0000147000000000, 0.0000681800000000 ] - [ -0.0000691300000000, 0.0000147000000000, 0.0000681800000000 ] - [ 0.0001924900000000, 0.0000000000000000, -0.0000327100000000 ] - [ -0.0000301300000000, 0.0000000000000000, 0.0000010600000000 ] - [ 0.0001220400000000, -0.0000997800000000, -0.0002526800000000 ] - [ 0.0001220400000000, 0.0000997800000000, -0.0002526800000000 ] - [ 0.0000739300000000, 0.0001005000000000, -0.0002432400000000 ] - [ 0.0000739300000000, -0.0001005000000000, -0.0002432400000000 ] - [ 0.0002195100000000, 0.0003119600000000, -0.0014260300000000 ] - [ -0.0000461100000000, -0.0000738200000000, -0.0006576000000000 ] - [ 0.0002195100000000, -0.0003119600000000, -0.0014260300000000 ] - [ -0.0000461100000000, 0.0000738200000000, -0.0006576000000000 ] - [ -0.0000455800000000, -0.0000499400000000, -0.0001922300000000 ] - [ -0.0000455800000000, 0.0000499400000000, -0.0001922300000000 ] - [ -0.0000398900000000, 0.0000000000000000, -0.0001038900000000 ] - [ -0.0007589700000000, 0.0013180900000000, -0.0002995100000000 ] - [ -0.0007589700000000, -0.0013180900000000, -0.0002995100000000 ] - [ -0.0001199100000000, 0.0000000000000000, 0.0000733300000000 ] - [ -0.0001099900000000, 0.0004866400000000, 0.0001621000000000 ] - [ -0.0006630400000000, -0.0012120600000000, -0.0010777400000000 ] - [ -0.0006630400000000, 0.0012120600000000, -0.0010777400000000 ] - [ -0.0001099900000000, -0.0004866400000000, 0.0001621000000000 ] - [ -0.0001710700000000, 0.0004294800000000, -0.0000226600000000 ] - [ -0.0001710700000000, -0.0004294800000000, -0.0000226600000000 ] - [ -0.0009139500000000, 0.0000000000000000, 0.0002881500000000 ] - [ 0.0013673100000000, 0.0021680600000000, -0.0000765400000000 ] - [ 0.0013673100000000, -0.0021680600000000, -0.0000765400000000 ] - [ 0.0000305800000000, 0.0000000000000000, -0.0002251200000000 ] - [ -0.0011048500000000, -0.0000144200000000, -0.0003697900000000 ] - [ -0.0011048500000000, 0.0000144200000000, -0.0003697900000000 ] - [ -0.0000936900000000, 0.0000000000000000, -0.0000833100000000 ] - [ -0.0001093100000000, 0.0000000000000000, 0.0011898100000000 ] - [ 0.0087866300000000, 0.0000000000000000, -0.0009858700000000 ] - [ 0.0000645100000000, 0.0001192300000000, -0.0002815800000000 ] - [ 0.0000645100000000, -0.0001192300000000, -0.0002815800000000 ] - [ 0.0000623400000000, 0.0010668800000000, -0.0022552800000000 ] - [ -0.0000706100000000, 0.0000746400000000, -0.0002794000000000 ] - [ -0.0000706100000000, -0.0000746400000000, -0.0002794000000000 ] - [ -0.0004762000000000, 0.0000000000000000, -0.0011872700000000 ] - [ 0.0000967500000000, 0.0000000000000000, 0.0001493500000000 ] - [ 0.0000623400000000, -0.0010668800000000, -0.0022552800000000 ] - [ -0.0001074200000000, 0.0000000000000000, 0.0000159400000000 ] - [ -0.0000879800000000, 0.0000000000000000, 0.0000410100000000 ] - [ -0.0003713300000000, -0.0006364500000000, 0.0006127400000000 ] - [ -0.0003713300000000, 0.0006364500000000, 0.0006127400000000 ] - [ -0.0000060400000000, 0.0000047800000000, -0.0000473400000000 ] - [ 0.0003167800000000, -0.0006470800000000, 0.0003124300000000 ] - [ 0.0003167800000000, 0.0006470800000000, 0.0003124300000000 ] - [ -0.0000199800000000, 0.0000000000000000, 0.0003629200000000 ] - [ -0.0003033000000000, 0.0000000000000000, -0.0001580100000000 ] - [ -0.0000060400000000, -0.0000047800000000, -0.0000473400000000 ] - [ 0.0127299000000000, 0.0148080500000000, 0.0039879000000000 ] - [ 0.0127299000000000, -0.0148080500000000, 0.0039879000000000 ] - [ -0.1477702300000000, 0.0000000000000000, 0.0432569900000000 ] - [ 0.0020385700000000, 0.0007101500000000, 0.0009642900000000 ] - [ -0.0011794700000000, 0.0011634900000000, 0.0013951500000000 ] - [ -0.0011794700000000, -0.0011634900000000, 0.0013951500000000 ] - [ 0.0020385700000000, -0.0007101500000000, 0.0009642900000000 ] - [ 0.0002956800000000, 0.0000000000000000, 0.0001056200000000 ] - [ 0.0000179100000000, 0.0003891500000000, 0.0000335500000000 ] - [ 0.0000179100000000, -0.0003891500000000, 0.0000335500000000 ] - [ -0.0000515600000000, -0.0002340400000000, 0.0000539700000000 ] - [ -0.0000515600000000, 0.0002340400000000, 0.0000539700000000 ] - [ -0.0000882800000000, 0.0000000000000000, 0.0001647800000000 ] - [ -0.0000427500000000, -0.0001047700000000, 0.0010045600000000 ] - [ -0.0001038300000000, 0.0000890700000000, 0.0003828100000000 ] - [ -0.0001038300000000, -0.0000890700000000, 0.0003828100000000 ] - [ -0.0000427500000000, 0.0001047700000000, 0.0010045600000000 ] - [ 0.0039737100000000, 0.0000000000000000, -0.0015672000000000 ] - [ -0.0004161900000000, 0.0026041000000000, 0.0007227900000000 ] - [ -0.0004161900000000, -0.0026041000000000, 0.0007227900000000 ]- atom: 87 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027134300000000, 0.0000000000000000, -0.0004210900000000 ] - [ -0.0400249700000000, -0.0310067800000000, 0.0102382600000000 ] - [ -0.0400249700000000, 0.0310067800000000, 0.0102382600000000 ] - [ -0.0065360000000000, 0.0000000000000000, 0.0254113700000000 ] - [ -0.0083448100000000, 0.0000000000000000, 0.0010810300000000 ] - [ -0.0002207700000000, 0.0005536600000000, 0.0002735800000000 ] - [ -0.0002207700000000, -0.0005536600000000, 0.0002735800000000 ] - [ -0.0110506800000000, -0.0106511900000000, 0.0003187500000000 ] - [ -0.0110506800000000, 0.0106511900000000, 0.0003187500000000 ] - [ 0.0002888500000000, 0.0000638900000000, -0.0000396900000000 ] - [ -0.0003212900000000, -0.0004207600000000, -0.0001456400000000 ] - [ 0.0002888500000000, -0.0000638900000000, -0.0000396900000000 ] - [ -0.0003212900000000, 0.0004207600000000, -0.0001456400000000 ] - [ 0.0003072000000000, 0.0009875100000000, -0.0001210300000000 ] - [ 0.0003072000000000, -0.0009875100000000, -0.0001210300000000 ] - [ 0.0008773100000000, 0.0000000000000000, -0.0007091900000000 ] - [ -0.0000768000000000, -0.0001627300000000, 0.0000607200000000 ] - [ -0.0000768000000000, 0.0001627300000000, 0.0000607200000000 ] - [ -0.0002855700000000, 0.0000000000000000, 0.0000142900000000 ] - [ -0.0001285300000000, 0.0000257600000000, -0.0001863800000000 ] - [ 0.0000981400000000, -0.0000169800000000, -0.0000317300000000 ] - [ 0.0000981400000000, 0.0000169800000000, -0.0000317300000000 ] - [ -0.0001285300000000, -0.0000257600000000, -0.0001863800000000 ] - [ 0.0001836700000000, 0.0000551800000000, 0.0000720800000000 ] - [ 0.0001836700000000, -0.0000551800000000, 0.0000720800000000 ] - [ 0.0002704300000000, 0.0000000000000000, -0.0001824800000000 ] - [ 0.0000585500000000, 0.0001230600000000, 0.0000169800000000 ] - [ 0.0000585500000000, -0.0001230600000000, 0.0000169800000000 ] - [ -0.0003541600000000, 0.0000000000000000, 0.0002694500000000 ] - [ -0.0002171800000000, -0.0000068400000000, -0.0000153500000000 ] - [ -0.0002171800000000, 0.0000068400000000, -0.0000153500000000 ] - [ 0.0001791400000000, 0.0000000000000000, 0.0005237000000000 ] - [ -0.0000774500000000, 0.0000000000000000, -0.0000368000000000 ] - [ -0.0001881700000000, -0.0000315700000000, 0.0001369800000000 ] - [ -0.0001881700000000, 0.0000315700000000, 0.0001369800000000 ] - [ 0.0003197400000000, 0.0000000000000000, -0.0000649900000000 ] - [ -0.0000339900000000, 0.0000000000000000, 0.0002423900000000 ] - [ -0.0000646200000000, 0.0001414200000000, 0.0001303600000000 ] - [ -0.0000646200000000, -0.0001414200000000, 0.0001303600000000 ] - [ 0.0002197800000000, -0.0000213100000000, -0.0000668400000000 ] - [ 0.0002197800000000, 0.0000213100000000, -0.0000668400000000 ] - [ -0.0000664800000000, -0.0003252800000000, 0.0012767100000000 ] - [ -0.0001017000000000, 0.0000589200000000, 0.0005266500000000 ] - [ -0.0000664800000000, 0.0003252800000000, 0.0012767100000000 ] - [ -0.0001017000000000, -0.0000589200000000, 0.0005266500000000 ] - [ -0.0000130000000000, 0.0000798100000000, 0.0000678800000000 ] - [ -0.0000130000000000, -0.0000798100000000, 0.0000678800000000 ] - [ 0.0001671600000000, 0.0000000000000000, 0.0001014100000000 ] - [ 0.0006708500000000, -0.0014664100000000, 0.0004410800000000 ] - [ 0.0006708500000000, 0.0014664100000000, 0.0004410800000000 ] - [ -0.0003498000000000, 0.0000000000000000, -0.0001410500000000 ] - [ -0.0001032100000000, -0.0004645300000000, -0.0000235800000000 ] - [ 0.0008795200000000, 0.0012417300000000, 0.0011749900000000 ] - [ 0.0008795200000000, -0.0012417300000000, 0.0011749900000000 ] - [ -0.0001032100000000, 0.0004645300000000, -0.0000235800000000 ] - [ 0.0003997300000000, -0.0004187800000000, 0.0001860500000000 ] - [ 0.0003997300000000, 0.0004187800000000, 0.0001860500000000 ] - [ 0.0010325900000000, 0.0000000000000000, -0.0003148700000000 ] - [ -0.0012924400000000, -0.0020000800000000, 0.0001888300000000 ] - [ -0.0012924400000000, 0.0020000800000000, 0.0001888300000000 ] - [ -0.0002227900000000, 0.0000000000000000, 0.0002448500000000 ] - [ 0.0008335000000000, 0.0000887900000000, 0.0001475500000000 ] - [ 0.0008335000000000, -0.0000887900000000, 0.0001475500000000 ] - [ 0.0001628100000000, 0.0000000000000000, 0.0003297000000000 ] - [ 0.0001532200000000, 0.0000000000000000, -0.0009907900000000 ] - [ -0.0089669700000000, 0.0000000000000000, 0.0009749100000000 ] - [ 0.0000626400000000, -0.0000548500000000, -0.0000267000000000 ] - [ 0.0000626400000000, 0.0000548500000000, -0.0000267000000000 ] - [ -0.0000597800000000, -0.0010671500000000, 0.0021269100000000 ] - [ -0.0000527600000000, -0.0001352600000000, -0.0000307000000000 ] - [ -0.0000527600000000, 0.0001352600000000, -0.0000307000000000 ] - [ 0.0004348200000000, 0.0000000000000000, 0.0013666800000000 ] - [ 0.0000726300000000, 0.0000000000000000, -0.0001569400000000 ] - [ -0.0000597800000000, 0.0010671500000000, 0.0021269100000000 ] - [ 0.0001673100000000, 0.0000000000000000, 0.0001646500000000 ] - [ -0.0000885900000000, 0.0000000000000000, -0.0000264200000000 ] - [ 0.0004825000000000, 0.0006889900000000, -0.0009000000000000 ] - [ 0.0004825000000000, -0.0006889900000000, -0.0009000000000000 ] - [ 0.0000206000000000, 0.0000083600000000, -0.0000638000000000 ] - [ -0.0004248300000000, 0.0005760600000000, -0.0006089300000000 ] - [ -0.0004248300000000, -0.0005760600000000, -0.0006089300000000 ] - [ -0.0000272200000000, 0.0000000000000000, -0.0001770700000000 ] - [ 0.0004800400000000, 0.0000000000000000, 0.0001674400000000 ] - [ 0.0000206000000000, -0.0000083600000000, -0.0000638000000000 ] - [ -0.0130174100000000, -0.0154759700000000, -0.0038380000000000 ] - [ -0.0130174100000000, 0.0154759700000000, -0.0038380000000000 ] - [ 0.1482911100000000, 0.0000000000000000, -0.0439398000000000 ] - [ -0.0021960500000000, -0.0006782500000000, -0.0009528700000000 ] - [ 0.0013413300000000, -0.0011698900000000, -0.0015216400000000 ] - [ 0.0013413300000000, 0.0011698900000000, -0.0015216400000000 ] - [ -0.0021960500000000, 0.0006782500000000, -0.0009528700000000 ] - [ -0.0002465900000000, 0.0000000000000000, 0.0001596100000000 ] - [ 0.0002192700000000, -0.0002152000000000, 0.0001746800000000 ] - [ 0.0002192700000000, 0.0002152000000000, 0.0001746800000000 ] - [ -0.0001377400000000, -0.0001455200000000, 0.0001064100000000 ] - [ -0.0001377400000000, 0.0001455200000000, 0.0001064100000000 ] - [ -0.0002531200000000, 0.0000000000000000, -0.0000314400000000 ] - [ -0.0000806800000000, 0.0000153500000000, -0.0009685400000000 ] - [ 0.0002367600000000, 0.0000040500000000, -0.0003297500000000 ] - [ 0.0002367600000000, -0.0000040500000000, -0.0003297500000000 ] - [ -0.0000806800000000, -0.0000153500000000, -0.0009685400000000 ] - [ -0.0037684400000000, 0.0000000000000000, 0.0017912600000000 ] - [ 0.0006530800000000, -0.0023122200000000, -0.0006191500000000 ] - [ 0.0006530800000000, 0.0023122200000000, -0.0006191500000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000406400000000, 0.0004631700000000, 0.0000372000000000 ] - [ 0.0309704600000000, 0.0379539200000000, -0.0084254600000000 ] - [ -0.0326098800000000, 0.0390456600000000, 0.0089698000000000 ] - [ 0.0002540200000000, 0.0080593700000000, 0.0001103700000000 ] - [ -0.0000493500000000, 0.0084475600000000, 0.0002462800000000 ] - [ 0.0000095900000000, 0.0003093900000000, -0.0000501500000000 ] - [ 0.0000814000000000, 0.0003040400000000, -0.0000761900000000 ] - [ 0.0064035400000000, 0.0129278700000000, -0.0000178400000000 ] - [ -0.0055158500000000, 0.0124709700000000, -0.0001490100000000 ] - [ 0.0000922100000000, -0.0001239300000000, 0.0000329700000000 ] - [ 0.0001632900000000, 0.0002623600000000, -0.0004053200000000 ] - [ 0.0000541600000000, -0.0001238000000000, -0.0001943500000000 ] - [ -0.0002951100000000, 0.0002749100000000, 0.0002554600000000 ] - [ -0.0004178900000000, 0.0003207600000000, 0.0002170200000000 ] - [ 0.0003287900000000, 0.0002827700000000, -0.0003496500000000 ] - [ 0.0000615300000000, 0.0005631700000000, -0.0000206900000000 ] - [ -0.0000207600000000, -0.0000683600000000, 0.0000521300000000 ] - [ -0.0000642400000000, 0.0001048000000000, 0.0000600900000000 ] - [ -0.0002325600000000, 0.0000054700000000, -0.0000287200000000 ] - [ -0.0000756200000000, 0.0000785000000000, 0.0001537300000000 ] - [ 0.0001175400000000, -0.0000422000000000, -0.0000786300000000 ] - [ 0.0000949200000000, -0.0000542600000000, 0.0001896900000000 ] - [ -0.0001351400000000, 0.0000601100000000, -0.0000318900000000 ] - [ 0.0001378900000000, -0.0000337400000000, 0.0001204400000000 ] - [ 0.0000864800000000, -0.0000367600000000, 0.0000173400000000 ] - [ 0.0000636000000000, -0.0000689200000000, -0.0000244800000000 ] - [ 0.0000169000000000, 0.0000884900000000, 0.0000748600000000 ] - [ 0.0000678100000000, -0.0000959100000000, 0.0000329800000000 ] - [ -0.0000739300000000, 0.0000426400000000, -0.0000006800000000 ] - [ -0.0001353200000000, 0.0000497600000000, -0.0001538400000000 ] - [ -0.0001319800000000, -0.0000090500000000, -0.0001822800000000 ] - [ 0.0000443400000000, 0.0000409800000000, 0.0001105500000000 ] - [ -0.0000574900000000, 0.0000300500000000, -0.0000140500000000 ] - [ -0.0001178100000000, -0.0000116000000000, 0.0000738600000000 ] - [ -0.0001329300000000, 0.0000200200000000, 0.0000909600000000 ] - [ 0.0002428800000000, 0.0000226100000000, -0.0000444100000000 ] - [ -0.0000470800000000, -0.0000663500000000, 0.0001151300000000 ] - [ -0.0000344400000000, 0.0000013900000000, -0.0000321800000000 ] - [ 0.0000854400000000, -0.0000260600000000, -0.0000695000000000 ] - [ 0.0001679200000000, 0.0000232300000000, -0.0002077600000000 ] - [ 0.0001331800000000, -0.0000434600000000, -0.0001336700000000 ] - [ 0.0001064100000000, 0.0001327400000000, -0.0001080700000000 ] - [ -0.0000212400000000, -0.0000446900000000, -0.0001362400000000 ] - [ 0.0000501700000000, 0.0001461500000000, 0.0000344800000000 ] - [ -0.0001255900000000, -0.0000312000000000, 0.0000683100000000 ] - [ -0.0001135400000000, 0.0000383400000000, -0.0000661500000000 ] - [ 0.0000640200000000, 0.0000164200000000, -0.0000367500000000 ] - [ 0.0000827000000000, -0.0000568900000000, -0.0000037600000000 ] - [ -0.0007181500000000, -0.0003650100000000, 0.0003059400000000 ] - [ 0.0006084900000000, -0.0002183900000000, -0.0001317600000000 ] - [ -0.0002040100000000, 0.0000720700000000, 0.0000202900000000 ] - [ -0.0001188300000000, -0.0001237100000000, 0.0001511200000000 ] - [ -0.0000569800000000, -0.0003350300000000, 0.0007504700000000 ] - [ 0.0002735600000000, -0.0003558300000000, -0.0005892700000000 ] - [ -0.0000979700000000, -0.0001489700000000, 0.0000750200000000 ] - [ 0.0003557200000000, -0.0000308400000000, 0.0001290300000000 ] - [ -0.0001938300000000, -0.0001211500000000, -0.0000477600000000 ] - [ 0.0000659200000000, -0.0001895900000000, -0.0000153400000000 ] - [ 0.0002546600000000, 0.0008256800000000, -0.0004429200000000 ] - [ -0.0001705800000000, 0.0005593000000000, 0.0005628500000000 ] - [ -0.0000558200000000, -0.0006684700000000, -0.0000100300000000 ] - [ 0.0008600300000000, -0.0006698700000000, 0.0003481200000000 ] - [ -0.0010895100000000, -0.0007050500000000, -0.0006473200000000 ] - [ 0.0000315200000000, -0.0002816700000000, 0.0000966700000000 ] - [ 0.0000227800000000, -0.0000039700000000, 0.0001049400000000 ] - [ -0.0000811200000000, -0.0068289800000000, -0.0000089700000000 ] - [ 0.0000848100000000, 0.0000085900000000, -0.0003670200000000 ] - [ 0.0000471700000000, -0.0000620400000000, 0.0000599800000000 ] - [ 0.0005139600000000, 0.0019621700000000, -0.0018515900000000 ] - [ -0.0001129900000000, -0.0000620000000000, -0.0003694600000000 ] - [ -0.0000150700000000, -0.0000041100000000, 0.0000603100000000 ] - [ -0.0000117000000000, -0.0002242400000000, 0.0000829900000000 ] - [ 0.0000879500000000, -0.0000098600000000, 0.0000016400000000 ] - [ -0.0005021800000000, 0.0019566300000000, 0.0017264900000000 ] - [ 0.0000248700000000, 0.0001125800000000, 0.0000863600000000 ] - [ -0.0000868500000000, -0.0000005800000000, 0.0000028000000000 ] - [ 0.0001137600000000, 0.0000238400000000, -0.0003852200000000 ] - [ -0.0000182300000000, -0.0000252800000000, 0.0001158400000000 ] - [ 0.0000025900000000, 0.0000013200000000, -0.0000933900000000 ] - [ -0.0001048800000000, -0.0000537900000000, -0.0003353800000000 ] - [ 0.0000109800000000, 0.0000180900000000, 0.0000594600000000 ] - [ -0.0000237600000000, 0.0000565600000000, 0.0000975200000000 ] - [ 0.0000826100000000, 0.0005118800000000, -0.0000160900000000 ] - [ 0.0000046900000000, -0.0000060000000000, -0.0000317700000000 ] - [ 0.0013450500000000, 0.0058410000000000, -0.0000015900000000 ] - [ -0.0016025000000000, 0.0064387400000000, 0.0002136700000000 ] - [ 0.0007484700000000, -0.1305885300000000, -0.0005734300000000 ] - [ -0.0005059000000000, 0.0007290100000000, -0.0005113100000000 ] - [ 0.0004609300000000, -0.0010662500000000, -0.0023988700000000 ] - [ -0.0003947500000000, -0.0011275600000000, 0.0023946300000000 ] - [ 0.0003910700000000, 0.0008125100000000, 0.0004969600000000 ] - [ 0.0001097100000000, -0.0000516700000000, 0.0000746800000000 ] - [ 0.0001154500000000, 0.0001662800000000, -0.0000057200000000 ] - [ 0.0000877600000000, -0.0000903100000000, 0.0001703800000000 ] - [ -0.0001192800000000, -0.0001530700000000, 0.0001037700000000 ] - [ -0.0000663900000000, 0.0002014300000000, 0.0000458600000000 ] - [ -0.0001500300000000, -0.0000085800000000, 0.0000672000000000 ] - [ -0.0000579900000000, -0.0000482700000000, 0.0000476900000000 ] - [ 0.0001949600000000, 0.0000321300000000, -0.0000374300000000 ] - [ -0.0000829300000000, -0.0000314100000000, 0.0000857600000000 ] - [ -0.0000553100000000, 0.0000608000000000, -0.0000206000000000 ] - [ 0.0000183200000000, 0.0012483800000000, 0.0001199400000000 ] - [ 0.0001141200000000, 0.0007420700000000, 0.0006385700000000 ] - [ 0.0001328200000000, 0.0006285300000000, -0.0004266600000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016002600000000, 0.0000000000000000, 0.0016117000000000 ] - [ -0.0149462200000000, -0.0108406100000000, 0.0087153800000000 ] - [ -0.0149462200000000, 0.0108406100000000, 0.0087153800000000 ] - [ -0.0100321400000000, 0.0000000000000000, 0.0785599500000000 ] - [ -0.0036933100000000, 0.0000000000000000, 0.0055887800000000 ] - [ -0.0003186300000000, -0.0007527700000000, -0.0002927800000000 ] - [ -0.0003186300000000, 0.0007527700000000, -0.0002927800000000 ] - [ -0.0020435100000000, 0.0005236200000000, 0.0109017700000000 ] - [ -0.0020435100000000, -0.0005236200000000, 0.0109017700000000 ] - [ 0.0000224600000000, 0.0001468900000000, 0.0001554300000000 ] - [ -0.0009199000000000, -0.0006435600000000, 0.0003138900000000 ] - [ 0.0000224600000000, -0.0001468900000000, 0.0001554300000000 ] - [ -0.0009199000000000, 0.0006435600000000, 0.0003138900000000 ] - [ -0.0003004100000000, -0.0000215200000000, 0.0001416300000000 ] - [ -0.0003004100000000, 0.0000215200000000, 0.0001416300000000 ] - [ -0.0000986400000000, 0.0000000000000000, 0.0003684300000000 ] - [ -0.0000339000000000, -0.0000473100000000, -0.0000108500000000 ] - [ -0.0000339000000000, 0.0000473100000000, -0.0000108500000000 ] - [ -0.0002178400000000, 0.0000000000000000, 0.0001288400000000 ] - [ 0.0000331900000000, 0.0002194500000000, -0.0005310400000000 ] - [ 0.0000881000000000, -0.0000471800000000, 0.0000480000000000 ] - [ 0.0000881000000000, 0.0000471800000000, 0.0000480000000000 ] - [ 0.0000331900000000, -0.0002194500000000, -0.0005310400000000 ] - [ -0.0000221200000000, 0.0002121200000000, -0.0001433700000000 ] - [ -0.0000221200000000, -0.0002121200000000, -0.0001433700000000 ] - [ 0.0001561500000000, 0.0000000000000000, -0.0001291600000000 ] - [ 0.0000034500000000, 0.0001832300000000, 0.0000025500000000 ] - [ 0.0000034500000000, -0.0001832300000000, 0.0000025500000000 ] - [ 0.0001427000000000, 0.0000000000000000, -0.0002706800000000 ] - [ -0.0000834000000000, -0.0000240000000000, -0.0003584500000000 ] - [ -0.0000834000000000, 0.0000240000000000, -0.0003584500000000 ] - [ -0.0000787200000000, 0.0000000000000000, -0.0002916000000000 ] - [ -0.0000118900000000, 0.0000000000000000, -0.0000690000000000 ] - [ -0.0001302600000000, -0.0000090500000000, 0.0000753100000000 ] - [ -0.0001302600000000, 0.0000090500000000, 0.0000753100000000 ] - [ 0.0002385100000000, 0.0000000000000000, -0.0000195700000000 ] - [ -0.0000057200000000, 0.0000000000000000, 0.0000201500000000 ] - [ 0.0000436300000000, -0.0000527100000000, -0.0002149400000000 ] - [ 0.0000436300000000, 0.0000527100000000, -0.0002149400000000 ] - [ 0.0001337500000000, 0.0000850500000000, -0.0002232200000000 ] - [ 0.0001337500000000, -0.0000850500000000, -0.0002232200000000 ] - [ 0.0002788100000000, 0.0003167200000000, -0.0015772900000000 ] - [ -0.0000268300000000, -0.0000644200000000, -0.0005912300000000 ] - [ 0.0002788100000000, -0.0003167200000000, -0.0015772900000000 ] - [ -0.0000268300000000, 0.0000644200000000, -0.0005912300000000 ] - [ 0.0000402800000000, 0.0000207200000000, -0.0001953900000000 ] - [ 0.0000402800000000, -0.0000207200000000, -0.0001953900000000 ] - [ -0.0000252700000000, 0.0000000000000000, -0.0000969100000000 ] - [ -0.0002418400000000, 0.0008640700000000, 0.0002984800000000 ] - [ -0.0002418400000000, -0.0008640700000000, 0.0002984800000000 ] - [ -0.0001598900000000, 0.0000000000000000, -0.0000416800000000 ] - [ -0.0001497600000000, 0.0003102400000000, 0.0000636400000000 ] - [ 0.0002593700000000, -0.0005708700000000, 0.0002980700000000 ] - [ 0.0002593700000000, 0.0005708700000000, 0.0002980700000000 ] - [ -0.0001497600000000, -0.0003102400000000, 0.0000636400000000 ] - [ -0.0000549900000000, -0.0001442300000000, 0.0002526600000000 ] - [ -0.0000549900000000, 0.0001442300000000, 0.0002526600000000 ] - [ -0.0008663000000000, 0.0000000000000000, 0.0004549400000000 ] - [ 0.0008106800000000, 0.0013820300000000, 0.0014524500000000 ] - [ 0.0008106800000000, -0.0013820300000000, 0.0014524500000000 ] - [ 0.0001636500000000, 0.0000000000000000, 0.0000526300000000 ] - [ -0.0002768700000000, -0.0000864300000000, -0.0001197000000000 ] - [ -0.0002768700000000, 0.0000864300000000, -0.0001197000000000 ] - [ -0.0000106100000000, 0.0000000000000000, 0.0001747300000000 ] - [ -0.0000105000000000, 0.0000000000000000, 0.0009514300000000 ] - [ 0.0002946400000000, 0.0000000000000000, -0.0015576800000000 ] - [ 0.0001074400000000, -0.0001881000000000, -0.0000436300000000 ] - [ 0.0001074400000000, 0.0001881000000000, -0.0000436300000000 ] - [ -0.0006481800000000, -0.0002726000000000, -0.0012857300000000 ] - [ -0.0000649900000000, -0.0002307400000000, -0.0002294400000000 ] - [ -0.0000649900000000, 0.0002307400000000, -0.0002294400000000 ] - [ -0.0022202700000000, 0.0000000000000000, 0.0015875700000000 ] - [ 0.0000715000000000, 0.0000000000000000, 0.0000751000000000 ] - [ -0.0006481800000000, 0.0002726000000000, -0.0012857300000000 ] - [ -0.0000500300000000, 0.0000000000000000, 0.0000321300000000 ] - [ -0.0000910200000000, 0.0000000000000000, 0.0000540900000000 ] - [ -0.0001912400000000, -0.0005757200000000, 0.0004819800000000 ] - [ -0.0001912400000000, 0.0005757200000000, 0.0004819800000000 ] - [ 0.0000211400000000, 0.0000177000000000, 0.0000138000000000 ] - [ 0.0001043800000000, -0.0004818800000000, 0.0001752600000000 ] - [ 0.0001043800000000, 0.0004818800000000, 0.0001752600000000 ] - [ -0.0000246400000000, 0.0000000000000000, 0.0003338000000000 ] - [ 0.0000830100000000, 0.0000000000000000, -0.0001318700000000 ] - [ 0.0000211400000000, -0.0000177000000000, 0.0000138000000000 ] - [ 0.0000983000000000, 0.0118160800000000, 0.0153104300000000 ] - [ 0.0000983000000000, -0.0118160800000000, 0.0153104300000000 ] - [ 0.0428039400000000, 0.0000000000000000, -0.1583292000000000 ] - [ 0.0006211900000000, -0.0002822000000000, 0.0003330600000000 ] - [ 0.0043629000000000, -0.0056351200000000, 0.0001644100000000 ] - [ 0.0043629000000000, 0.0056351200000000, 0.0001644100000000 ] - [ 0.0006211900000000, 0.0002822000000000, 0.0003330600000000 ] - [ -0.0003190600000000, 0.0000000000000000, 0.0004755500000000 ] - [ 0.0002519700000000, -0.0002190900000000, 0.0006094200000000 ] - [ 0.0002519700000000, 0.0002190900000000, 0.0006094200000000 ] - [ -0.0000750200000000, -0.0000870000000000, 0.0001933500000000 ] - [ -0.0000750200000000, 0.0000870000000000, 0.0001933500000000 ] - [ -0.0000716400000000, 0.0000000000000000, 0.0000440100000000 ] - [ -0.0000124600000000, -0.0001638400000000, 0.0012449400000000 ] - [ -0.0000632600000000, 0.0001213400000000, 0.0003204300000000 ] - [ -0.0000632600000000, -0.0001213400000000, 0.0003204300000000 ] - [ -0.0000124600000000, 0.0001638400000000, 0.0012449400000000 ] - [ 0.0019778200000000, 0.0000000000000000, -0.0006269300000000 ] - [ 0.0001506600000000, 0.0023060000000000, -0.0002240600000000 ] - [ 0.0001506600000000, -0.0023060000000000, -0.0002240600000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015313100000000, 0.0000000000000000, -0.0015876500000000 ] - [ 0.0147036900000000, 0.0107880400000000, -0.0084352600000000 ] - [ 0.0147036900000000, -0.0107880400000000, -0.0084352600000000 ] - [ 0.0114741000000000, 0.0000000000000000, -0.0826502700000000 ] - [ 0.0036617900000000, 0.0000000000000000, -0.0044229100000000 ] - [ 0.0003467000000000, 0.0008043200000000, 0.0002015400000000 ] - [ 0.0003467000000000, -0.0008043200000000, 0.0002015400000000 ] - [ 0.0025457400000000, -0.0004241600000000, -0.0111005000000000 ] - [ 0.0025457400000000, 0.0004241600000000, -0.0111005000000000 ] - [ 0.0001324300000000, -0.0001520800000000, -0.0002898900000000 ] - [ 0.0007857900000000, 0.0006264200000000, -0.0004359500000000 ] - [ 0.0001324300000000, 0.0001520800000000, -0.0002898900000000 ] - [ 0.0007857900000000, -0.0006264200000000, -0.0004359500000000 ] - [ 0.0002507400000000, 0.0000806800000000, -0.0002322200000000 ] - [ 0.0002507400000000, -0.0000806800000000, -0.0002322200000000 ] - [ 0.0002378200000000, 0.0000000000000000, -0.0003737900000000 ] - [ -0.0000438900000000, -0.0001180300000000, 0.0001468300000000 ] - [ -0.0000438900000000, 0.0001180300000000, 0.0001468300000000 ] - [ -0.0001459800000000, 0.0000000000000000, -0.0000315000000000 ] - [ -0.0002525400000000, -0.0001921400000000, 0.0007180700000000 ] - [ 0.0001254600000000, 0.0000475600000000, 0.0000927200000000 ] - [ 0.0001254600000000, -0.0000475600000000, 0.0000927200000000 ] - [ -0.0002525400000000, 0.0001921400000000, 0.0007180700000000 ] - [ 0.0001002600000000, -0.0000104500000000, 0.0001541800000000 ] - [ 0.0001002600000000, 0.0000104500000000, 0.0001541800000000 ] - [ 0.0000296700000000, 0.0000000000000000, 0.0000160700000000 ] - [ 0.0000480700000000, 0.0000306400000000, 0.0001146700000000 ] - [ 0.0000480700000000, -0.0000306400000000, 0.0001146700000000 ] - [ -0.0002837400000000, 0.0000000000000000, 0.0002735800000000 ] - [ -0.0000631900000000, 0.0000177800000000, 0.0000512900000000 ] - [ -0.0000631900000000, -0.0000177800000000, 0.0000512900000000 ] - [ 0.0001618500000000, 0.0000000000000000, 0.0004577400000000 ] - [ -0.0000945700000000, 0.0000000000000000, 0.0000347600000000 ] - [ -0.0000876800000000, -0.0000022200000000, 0.0000998300000000 ] - [ -0.0000876800000000, 0.0000022200000000, 0.0000998300000000 ] - [ 0.0002178000000000, 0.0000000000000000, -0.0000355600000000 ] - [ -0.0000632100000000, 0.0000000000000000, 0.0002224400000000 ] - [ -0.0000137100000000, 0.0000869000000000, 0.0001131100000000 ] - [ -0.0000137100000000, -0.0000869000000000, 0.0001131100000000 ] - [ 0.0001334500000000, -0.0000014600000000, -0.0000624900000000 ] - [ 0.0001334500000000, 0.0000014600000000, -0.0000624900000000 ] - [ -0.0001261500000000, -0.0003207700000000, 0.0014337800000000 ] - [ -0.0001271900000000, 0.0000784600000000, 0.0004408700000000 ] - [ -0.0001261500000000, 0.0003207700000000, 0.0014337800000000 ] - [ -0.0001271900000000, -0.0000784600000000, 0.0004408700000000 ] - [ -0.0000767000000000, 0.0000042400000000, 0.0000903700000000 ] - [ -0.0000767000000000, -0.0000042400000000, 0.0000903700000000 ] - [ 0.0001496600000000, 0.0000000000000000, 0.0001097700000000 ] - [ 0.0001590700000000, -0.0010114200000000, -0.0001742300000000 ] - [ 0.0001590700000000, 0.0010114200000000, -0.0001742300000000 ] - [ -0.0003238400000000, 0.0000000000000000, -0.0000552800000000 ] - [ -0.0000622500000000, -0.0003013900000000, 0.0000423400000000 ] - [ -0.0001051500000000, 0.0005710200000000, -0.0002166000000000 ] - [ -0.0001051500000000, -0.0005710200000000, -0.0002166000000000 ] - [ -0.0000622500000000, 0.0003013900000000, 0.0000423400000000 ] - [ 0.0003236600000000, 0.0000891700000000, -0.0000508100000000 ] - [ 0.0003236600000000, -0.0000891700000000, -0.0000508100000000 ] - [ 0.0009938800000000, 0.0000000000000000, -0.0004814400000000 ] - [ -0.0007429900000000, -0.0011998800000000, -0.0013966100000000 ] - [ -0.0007429900000000, 0.0011998800000000, -0.0013966100000000 ] - [ -0.0003277000000000, 0.0000000000000000, -0.0000331200000000 ] - [ -0.0000215300000000, 0.0001740300000000, -0.0001516700000000 ] - [ -0.0000215300000000, -0.0001740300000000, -0.0001516700000000 ] - [ 0.0000960900000000, 0.0000000000000000, 0.0000875900000000 ] - [ 0.0000531000000000, 0.0000000000000000, -0.0007570900000000 ] - [ -0.0004341900000000, 0.0000000000000000, 0.0015502400000000 ] - [ 0.0000021300000000, 0.0002570100000000, -0.0002491400000000 ] - [ 0.0000021300000000, -0.0002570100000000, -0.0002491400000000 ] - [ 0.0006506200000000, 0.0002644000000000, 0.0011669900000000 ] - [ -0.0000400300000000, 0.0001781100000000, -0.0000622100000000 ] - [ -0.0000400300000000, -0.0001781100000000, -0.0000622100000000 ] - [ 0.0021739600000000, 0.0000000000000000, -0.0013980400000000 ] - [ 0.0000713100000000, 0.0000000000000000, -0.0001289600000000 ] - [ 0.0006506200000000, -0.0002644000000000, 0.0011669900000000 ] - [ 0.0001041900000000, 0.0000000000000000, 0.0001459700000000 ] - [ -0.0000765100000000, 0.0000000000000000, -0.0000540700000000 ] - [ 0.0002990200000000, 0.0006325500000000, -0.0007681700000000 ] - [ 0.0002990200000000, -0.0006325500000000, -0.0007681700000000 ] - [ 0.0000039700000000, 0.0000076500000000, -0.0001139700000000 ] - [ -0.0002068300000000, 0.0004119800000000, -0.0004652100000000 ] - [ -0.0002068300000000, -0.0004119800000000, -0.0004652100000000 ] - [ -0.0000232800000000, 0.0000000000000000, -0.0001481500000000 ] - [ 0.0000955600000000, 0.0000000000000000, 0.0001354300000000 ] - [ 0.0000039700000000, -0.0000076500000000, -0.0001139700000000 ] - [ -0.0002108600000000, -0.0126444700000000, -0.0156682000000000 ] - [ -0.0002108600000000, 0.0126444700000000, -0.0156682000000000 ] - [ -0.0445217700000000, 0.0000000000000000, 0.1623535400000000 ] - [ -0.0007931600000000, 0.0002094500000000, -0.0002911200000000 ] - [ -0.0041893800000000, 0.0057317100000000, -0.0001723600000000 ] - [ -0.0041893800000000, -0.0057317100000000, -0.0001723600000000 ] - [ -0.0007931600000000, -0.0002094500000000, -0.0002911200000000 ] - [ 0.0000386900000000, 0.0000000000000000, -0.0000450100000000 ] - [ 0.0000626400000000, 0.0000806600000000, -0.0003509300000000 ] - [ 0.0000626400000000, -0.0000806600000000, -0.0003509300000000 ] - [ -0.0001384900000000, -0.0001817100000000, -0.0000251400000000 ] - [ -0.0001384900000000, 0.0001817100000000, -0.0000251400000000 ] - [ -0.0001641000000000, 0.0000000000000000, 0.0001267100000000 ] - [ -0.0000846600000000, 0.0000511000000000, -0.0012410100000000 ] - [ 0.0001820100000000, -0.0000342200000000, -0.0002746100000000 ] - [ 0.0001820100000000, 0.0000342200000000, -0.0002746100000000 ] - [ -0.0000846600000000, -0.0000511000000000, -0.0012410100000000 ] - [ -0.0016381900000000, 0.0000000000000000, 0.0007116500000000 ] - [ 0.0000340800000000, -0.0019223700000000, 0.0003504000000000 ] - [ 0.0000340800000000, 0.0019223700000000, 0.0003504000000000 ]- atom: 88 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003860500000000, 0.0000227200000000, -0.0001774500000000 ] - [ -0.0005921300000000, 0.0001987500000000, -0.0003659600000000 ] - [ -0.0001588600000000, -0.0000662300000000, 0.0000785900000000 ] - [ 0.0001980000000000, -0.0000863200000000, 0.0000008300000000 ] - [ -0.0006777200000000, 0.0003943800000000, 0.0000188500000000 ] - [ 0.0009135700000000, -0.0004953400000000, -0.0000795500000000 ] - [ 0.0526004300000000, -0.0380939400000000, 0.0024641900000000 ] - [ -0.0001160400000000, 0.0003454400000000, -0.0002550900000000 ] - [ -0.0011668500000000, 0.0000864700000000, 0.0003804900000000 ] - [ 0.0085841200000000, 0.0000643200000000, 0.0013433000000000 ] - [ -0.0000946300000000, -0.0000439900000000, 0.0001010000000000 ] - [ 0.0002999600000000, -0.0000163000000000, -0.0001797500000000 ] - [ -0.0002188500000000, -0.0001331200000000, -0.0005044300000000 ] - [ 0.0503846100000000, 0.0456606500000000, -0.0022785600000000 ] - [ 0.0009289900000000, 0.0002019400000000, -0.0000753600000000 ] - [ -0.0004373300000000, -0.0000485800000000, 0.0002059300000000 ] - [ -0.0000381500000000, 0.0000321200000000, 0.0000465800000000 ] - [ 0.0000116700000000, 0.0001070900000000, 0.0000860200000000 ] - [ -0.0002151800000000, 0.0000135100000000, -0.0000101400000000 ] - [ -0.0006598100000000, -0.0000707900000000, -0.0002530000000000 ] - [ -0.0000794300000000, -0.0000286400000000, 0.0001086500000000 ] - [ -0.0005404900000000, -0.0000501400000000, 0.0003243000000000 ] - [ -0.0001040100000000, -0.0000125600000000, 0.0000546300000000 ] - [ 0.0001823600000000, -0.0000777400000000, 0.0001431400000000 ] - [ 0.0001613100000000, 0.0000997000000000, 0.0001450100000000 ] - [ 0.0000558000000000, -0.0000004200000000, 0.0000644800000000 ] - [ 0.0000216700000000, 0.0000188600000000, 0.0001426600000000 ] - [ 0.0000251900000000, -0.0000801900000000, 0.0000914400000000 ] - [ -0.0000767100000000, -0.0000157700000000, 0.0000216300000000 ] - [ -0.0001254700000000, 0.0000802600000000, -0.0001307000000000 ] - [ -0.0001567500000000, -0.0001185700000000, -0.0001383600000000 ] - [ 0.0000610400000000, -0.0000196300000000, 0.0001472000000000 ] - [ 0.0000484600000000, 0.0000359600000000, 0.0000401200000000 ] - [ 0.0000672800000000, 0.0001713600000000, -0.0000714700000000 ] - [ 0.0000023000000000, -0.0000944900000000, -0.0000055800000000 ] - [ 0.0002282800000000, -0.0000762000000000, 0.0000834800000000 ] - [ -0.0000848600000000, 0.0000253700000000, 0.0000646300000000 ] - [ 0.0000637300000000, -0.0000119400000000, -0.0000477500000000 ] - [ -0.0000682800000000, -0.0000227200000000, -0.0000466200000000 ] - [ 0.0000403800000000, -0.0000073100000000, -0.0001629100000000 ] - [ 0.0000039400000000, 0.0000176900000000, -0.0001850900000000 ] - [ 0.0000804900000000, 0.0000064400000000, -0.0000290900000000 ] - [ -0.0000715100000000, -0.0000028600000000, 0.0000044300000000 ] - [ 0.0000792900000000, -0.0000081000000000, -0.0000278200000000 ] - [ -0.0000854100000000, 0.0000168900000000, 0.0000208500000000 ] - [ 0.0000745600000000, 0.0000004400000000, -0.0000428600000000 ] - [ -0.0000682600000000, -0.0000023600000000, -0.0000500700000000 ] - [ 0.0000953900000000, 0.0000362400000000, 0.0000185100000000 ] - [ -0.0000360400000000, 0.0000044000000000, 0.0001106200000000 ] - [ -0.0000875500000000, 0.0002660300000000, 0.0002661200000000 ] - [ -0.0001523200000000, -0.0000406900000000, 0.0000426300000000 ] - [ -0.0000902700000000, 0.0000454100000000, 0.0001481700000000 ] - [ 0.0001480700000000, -0.0000418100000000, 0.0000910800000000 ] - [ 0.0001249300000000, 0.0000304400000000, 0.0000675000000000 ] - [ -0.0001546700000000, 0.0000121000000000, 0.0001661200000000 ] - [ 0.0004571700000000, -0.0003284200000000, 0.0002410200000000 ] - [ -0.0001399200000000, -0.0003030800000000, -0.0003515300000000 ] - [ 0.0006493100000000, 0.0000762000000000, -0.0001293000000000 ] - [ 0.0000353200000000, 0.0001440000000000, 0.0000915000000000 ] - [ 0.0000807700000000, -0.0002478100000000, 0.0001840000000000 ] - [ 0.0151700500000000, 0.0014690900000000, -0.0015822100000000 ] - [ 0.0071237700000000, -0.0012264100000000, 0.0001084000000000 ] - [ 0.0003112500000000, 0.0001692200000000, -0.0001475900000000 ] - [ 0.0072616900000000, 0.0040686300000000, 0.0017832500000000 ] - [ 0.0000234000000000, -0.0000038100000000, 0.0000872200000000 ] - [ -0.0001810700000000, 0.0000590700000000, 0.0000956600000000 ] - [ 0.0000009700000000, -0.0005852700000000, -0.0033563300000000 ] - [ 0.0001021900000000, 0.0000295300000000, -0.0003256500000000 ] - [ -0.0000083400000000, -0.0000894200000000, -0.0000616700000000 ] - [ -0.0004287700000000, -0.0003072400000000, 0.0032466100000000 ] - [ -0.0001430100000000, 0.0000229300000000, -0.0000973900000000 ] - [ 0.0001090700000000, 0.0002149700000000, 0.0000824700000000 ] - [ 0.0001012900000000, -0.0000052200000000, 0.0000453800000000 ] - [ -0.0000032100000000, 0.0005467300000000, -0.0003139900000000 ] - [ 0.0034080600000000, 0.0003001900000000, 0.0002534200000000 ] - [ -0.0000662900000000, 0.0000143700000000, -0.0000784000000000 ] - [ 0.0000681200000000, 0.0000003700000000, -0.0001554300000000 ] - [ 0.0000660300000000, -0.0000050300000000, -0.0001734900000000 ] - [ -0.0000094700000000, -0.0000441700000000, -0.0000565900000000 ] - [ -0.0000779000000000, -0.0000601700000000, -0.0001664000000000 ] - [ -0.0000788500000000, 0.0000501500000000, -0.0001971100000000 ] - [ -0.0000312600000000, 0.0000139400000000, 0.0000511600000000 ] - [ -0.0000866000000000, -0.0000575000000000, 0.0024052600000000 ] - [ -0.0000296700000000, 0.0000330800000000, -0.0000780000000000 ] - [ -0.0007634800000000, 0.0005185100000000, -0.0005390700000000 ] - [ -0.0002921400000000, -0.0006835100000000, 0.0003958600000000 ] - [ 0.0020199100000000, -0.0004415900000000, 0.0007922700000000 ] - [ -0.1679643600000000, -0.0102001800000000, 0.0001400300000000 ] - [ 0.0322761400000000, -0.0011081600000000, -0.0010037800000000 ] - [ 0.0003958500000000, -0.0000405300000000, -0.0001389200000000 ] - [ -0.0068323700000000, -0.0005775400000000, 0.0009189400000000 ] - [ 0.0002117700000000, 0.0001405900000000, 0.0000786000000000 ] - [ -0.0000171300000000, 0.0002853000000000, 0.0000492600000000 ] - [ -0.0000767200000000, -0.0004793600000000, -0.0000777700000000 ] - [ -0.0002996600000000, 0.0001386300000000, 0.0000143400000000 ] - [ -0.0005606100000000, -0.0000747100000000, 0.0000656800000000 ] - [ 0.0002871700000000, 0.0000119800000000, 0.0002901500000000 ] - [ -0.0000464900000000, -0.0001352900000000, -0.0000033400000000 ] - [ 0.0000261200000000, 0.0000606700000000, -0.0000381700000000 ] - [ 0.0000121200000000, -0.0000077900000000, -0.0000572900000000 ] - [ -0.0000379500000000, -0.0000024600000000, 0.0000072500000000 ] - [ -0.0011458800000000, 0.0003929600000000, -0.0041689000000000 ] - [ 0.0004343200000000, -0.0006808500000000, -0.0006366200000000 ] - [ -0.0000529000000000, 0.0007061500000000, 0.0005316300000000 ]- atom: 88 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002903000000000, -0.0000084700000000, 0.0001692100000000 ] - [ 0.0003173700000000, -0.0002527500000000, 0.0005812700000000 ] - [ -0.0001105100000000, 0.0001229700000000, 0.0001260400000000 ] - [ 0.0002789400000000, 0.0000926400000000, -0.0000882700000000 ] - [ 0.0006065200000000, -0.0004022900000000, 0.0002335100000000 ] - [ -0.0008399900000000, 0.0005386600000000, -0.0000252100000000 ] - [ -0.0549230200000000, 0.0398673800000000, -0.0025952100000000 ] - [ 0.0004098900000000, -0.0002583700000000, -0.0000404000000000 ] - [ 0.0014565000000000, -0.0001591900000000, -0.0006540300000000 ] - [ -0.0084473800000000, -0.0000850000000000, -0.0017817300000000 ] - [ -0.0000571700000000, 0.0000381800000000, -0.0002098400000000 ] - [ -0.0001569800000000, 0.0000393200000000, 0.0000531900000000 ] - [ 0.0000682400000000, 0.0001518000000000, 0.0003772800000000 ] - [ -0.0486560800000000, -0.0437749000000000, 0.0021369100000000 ] - [ -0.0010224400000000, -0.0002108900000000, -0.0000276400000000 ] - [ 0.0005771000000000, 0.0000409900000000, -0.0002044900000000 ] - [ -0.0000120000000000, -0.0002383700000000, 0.0000639500000000 ] - [ -0.0000674800000000, 0.0001027000000000, 0.0000263700000000 ] - [ -0.0002916500000000, -0.0000152800000000, -0.0001014500000000 ] - [ 0.0004491700000000, 0.0000744600000000, 0.0003575500000000 ] - [ 0.0002948300000000, 0.0000516000000000, 0.0000675700000000 ] - [ 0.0007537300000000, 0.0000300800000000, -0.0001583700000000 ] - [ -0.0001044500000000, 0.0000077300000000, 0.0000582000000000 ] - [ 0.0001009600000000, 0.0000012900000000, 0.0000831600000000 ] - [ 0.0001213600000000, -0.0000114800000000, 0.0000946500000000 ] - [ 0.0000382600000000, -0.0000025700000000, -0.0000645300000000 ] - [ 0.0000585100000000, 0.0001468400000000, -0.0000100300000000 ] - [ 0.0000598300000000, -0.0000882200000000, 0.0000425200000000 ] - [ -0.0000652500000000, 0.0000128200000000, -0.0000188000000000 ] - [ -0.0001879300000000, 0.0000115200000000, -0.0001740500000000 ] - [ -0.0001759300000000, 0.0000288500000000, -0.0001647800000000 ] - [ 0.0000193100000000, 0.0000191100000000, 0.0001120200000000 ] - [ -0.0002528100000000, -0.0000360500000000, -0.0001453800000000 ] - [ -0.0001670200000000, -0.0000015600000000, 0.0001023200000000 ] - [ -0.0001045700000000, -0.0000872200000000, 0.0000241700000000 ] - [ 0.0001574900000000, 0.0000778700000000, 0.0000004000000000 ] - [ -0.0000292700000000, -0.0000182000000000, 0.0001133600000000 ] - [ -0.0000237300000000, 0.0000439200000000, -0.0000589600000000 ] - [ 0.0000293000000000, -0.0000191900000000, -0.0000599300000000 ] - [ 0.0001247400000000, 0.0000013800000000, -0.0001649300000000 ] - [ 0.0001448100000000, -0.0000108400000000, -0.0001592000000000 ] - [ 0.0000696800000000, 0.0000003000000000, -0.0000856700000000 ] - [ -0.0000825800000000, -0.0000195200000000, -0.0001138400000000 ] - [ 0.0000678200000000, 0.0000197200000000, -0.0000883100000000 ] - [ -0.0000759400000000, -0.0000052200000000, -0.0001175700000000 ] - [ -0.0000305900000000, 0.0000249400000000, -0.0000615700000000 ] - [ 0.0000328900000000, -0.0000259300000000, -0.0000528600000000 ] - [ 0.0000776300000000, -0.0000251800000000, -0.0000148800000000 ] - [ -0.0000335100000000, -0.0001643500000000, 0.0000198300000000 ] - [ 0.0000126800000000, -0.0001096200000000, -0.0001263300000000 ] - [ -0.0002592200000000, 0.0000262800000000, -0.0000240500000000 ] - [ -0.0001250200000000, -0.0000218700000000, 0.0000199400000000 ] - [ 0.0000588900000000, 0.0000548700000000, 0.0000328400000000 ] - [ 0.0000826300000000, -0.0000311800000000, 0.0000667500000000 ] - [ -0.0000625800000000, -0.0000455400000000, 0.0000004800000000 ] - [ -0.0003042400000000, 0.0004171400000000, -0.0001556000000000 ] - [ 0.0003082800000000, 0.0002025000000000, 0.0004547500000000 ] - [ -0.0005200100000000, -0.0000839000000000, 0.0000804200000000 ] - [ 0.0000119800000000, 0.0000523500000000, 0.0000261300000000 ] - [ -0.0000281200000000, 0.0000394800000000, -0.0000557500000000 ] - [ -0.0159120700000000, -0.0019333900000000, 0.0015661000000000 ] - [ -0.0074158500000000, 0.0012425800000000, -0.0003084500000000 ] - [ -0.0005152100000000, -0.0001666600000000, -0.0001509400000000 ] - [ -0.0067530400000000, -0.0043211200000000, -0.0016563000000000 ] - [ 0.0000222100000000, 0.0000059600000000, 0.0001045100000000 ] - [ 0.0000010700000000, -0.0000577400000000, -0.0000724800000000 ] - [ 0.0000967900000000, 0.0006548900000000, 0.0030942000000000 ] - [ 0.0000157300000000, -0.0000842800000000, 0.0000227400000000 ] - [ 0.0000212600000000, 0.0001015600000000, -0.0000554200000000 ] - [ 0.0003203600000000, 0.0002497500000000, -0.0035243300000000 ] - [ 0.0000152700000000, 0.0000457100000000, -0.0002139200000000 ] - [ -0.0001651900000000, -0.0002166700000000, 0.0000859800000000 ] - [ 0.0000744800000000, 0.0000026500000000, -0.0000180200000000 ] - [ 0.0000183400000000, -0.0005585100000000, 0.0002005100000000 ] - [ -0.0033610500000000, -0.0003303900000000, -0.0000773000000000 ] - [ -0.0000780400000000, -0.0000071300000000, 0.0000193000000000 ] - [ 0.0000347400000000, 0.0000566900000000, -0.0001284200000000 ] - [ 0.0000490900000000, -0.0000557200000000, -0.0001293800000000 ] - [ -0.0000199500000000, 0.0000141600000000, -0.0000445300000000 ] - [ -0.0000273900000000, -0.0000023700000000, -0.0001217400000000 ] - [ -0.0000378300000000, 0.0000120900000000, -0.0001040400000000 ] - [ -0.0000161800000000, -0.0000155600000000, 0.0001360500000000 ] - [ 0.0002430600000000, 0.0000367700000000, -0.0024276300000000 ] - [ 0.0000000800000000, -0.0000059200000000, -0.0000343300000000 ] - [ 0.0005764900000000, -0.0009036900000000, 0.0006703000000000 ] - [ 0.0001103600000000, 0.0010850800000000, -0.0002550600000000 ] - [ -0.0023835400000000, 0.0004616200000000, -0.0006943000000000 ] - [ 0.1686844400000000, 0.0071594200000000, 0.0001966700000000 ] - [ -0.0321716800000000, 0.0012503600000000, 0.0009843400000000 ] - [ -0.0002749400000000, -0.0000140500000000, 0.0001596900000000 ] - [ 0.0067517200000000, 0.0006018500000000, -0.0009185200000000 ] - [ 0.0002271100000000, -0.0001336100000000, -0.0000162200000000 ] - [ 0.0001839600000000, 0.0001432100000000, 0.0000920900000000 ] - [ 0.0002430700000000, 0.0000318300000000, 0.0002057000000000 ] - [ 0.0000081000000000, -0.0000281500000000, 0.0002565600000000 ] - [ 0.0002728400000000, 0.0000013500000000, 0.0001904100000000 ] - [ -0.0000591700000000, -0.0000043800000000, 0.0000970800000000 ] - [ -0.0000677000000000, -0.0000234400000000, 0.0000531500000000 ] - [ 0.0000851600000000, 0.0000344400000000, 0.0000576600000000 ] - [ 0.0000946300000000, -0.0000595700000000, 0.0000565000000000 ] - [ -0.0000750400000000, 0.0000730100000000, 0.0000437900000000 ] - [ 0.0012496900000000, -0.0004593000000000, 0.0044485700000000 ] - [ -0.0002023500000000, 0.0008263600000000, 0.0008140900000000 ] - [ 0.0002739600000000, -0.0008361700000000, -0.0003257300000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000420500000000, -0.0000703100000000, 0.0000506100000000 ] - [ -0.0000870000000000, -0.0004588100000000, 0.0008352300000000 ] - [ -0.0001049300000000, -0.0000052000000000, -0.0000972800000000 ] - [ 0.0001801300000000, -0.0000454400000000, 0.0000419700000000 ] - [ -0.0016542700000000, 0.0004032400000000, 0.0002667700000000 ] - [ 0.0005064200000000, -0.0002374000000000, -0.0000592800000000 ] - [ -0.0268673900000000, 0.0260446500000000, -0.0022296800000000 ] - [ -0.0002612000000000, -0.0000177200000000, -0.0000847700000000 ] - [ -0.0007309000000000, 0.0005687300000000, -0.0008462800000000 ] - [ 0.0001052700000000, 0.0101456000000000, -0.0104752800000000 ] - [ -0.0001445900000000, 0.0000457100000000, -0.0002151100000000 ] - [ 0.0000643800000000, -0.0004704400000000, -0.0003683100000000 ] - [ -0.0000158900000000, 0.0035030300000000, 0.0038019000000000 ] - [ 0.0316208000000000, 0.0348743500000000, -0.0015016800000000 ] - [ -0.0003881800000000, -0.0000878500000000, -0.0000834900000000 ] - [ 0.0018871900000000, 0.0004974300000000, 0.0000638300000000 ] - [ 0.0002424800000000, 0.0000831600000000, 0.0001757700000000 ] - [ 0.0000269800000000, 0.0000356200000000, 0.0001958900000000 ] - [ -0.0001801500000000, -0.0000196200000000, -0.0000503900000000 ] - [ -0.0001183600000000, -0.0003020700000000, -0.0010935700000000 ] - [ 0.0000744100000000, -0.0002227300000000, 0.0013446700000000 ] - [ 0.0000296800000000, 0.0007676000000000, -0.0000130000000000 ] - [ -0.0001010600000000, -0.0001848100000000, 0.0002513100000000 ] - [ 0.0001071700000000, 0.0000029200000000, 0.0000498000000000 ] - [ 0.0000977700000000, -0.0000246600000000, 0.0000873600000000 ] - [ -0.0000300200000000, -0.0000429400000000, -0.0000491100000000 ] - [ -0.0001870800000000, 0.0001830000000000, 0.0001297700000000 ] - [ -0.0000170900000000, -0.0001254000000000, 0.0001877300000000 ] - [ -0.0000652200000000, -0.0000043700000000, 0.0000029500000000 ] - [ -0.0001222700000000, 0.0000125600000000, -0.0001183500000000 ] - [ -0.0001329400000000, -0.0000320600000000, -0.0001302100000000 ] - [ 0.0000455400000000, -0.0000031100000000, 0.0001084600000000 ] - [ -0.0000485200000000, 0.0000215000000000, 0.0000136300000000 ] - [ -0.0001070000000000, 0.0000298100000000, 0.0001247200000000 ] - [ -0.0000469300000000, -0.0000637900000000, 0.0000031500000000 ] - [ 0.0001779600000000, -0.0000212200000000, -0.0000165100000000 ] - [ -0.0000393600000000, -0.0000066900000000, 0.0001098700000000 ] - [ 0.0000295600000000, 0.0000115000000000, -0.0000660500000000 ] - [ 0.0000063400000000, -0.0000185300000000, -0.0000575200000000 ] - [ 0.0001074000000000, -0.0000058900000000, -0.0001444600000000 ] - [ 0.0001002500000000, 0.0000115400000000, -0.0001259700000000 ] - [ 0.0000833100000000, -0.0000049300000000, -0.0001082100000000 ] - [ -0.0000740700000000, -0.0000094700000000, -0.0001259600000000 ] - [ 0.0000722100000000, 0.0000113800000000, -0.0000912300000000 ] - [ -0.0000856200000000, -0.0000010800000000, -0.0001290400000000 ] - [ -0.0000097400000000, 0.0000155700000000, -0.0000549500000000 ] - [ -0.0000274200000000, -0.0000069100000000, -0.0000599700000000 ] - [ 0.0000628600000000, 0.0000013600000000, -0.0000039300000000 ] - [ 0.0000707600000000, -0.0000807400000000, 0.0000017900000000 ] - [ 0.0002355400000000, 0.0003315700000000, -0.0001437000000000 ] - [ -0.0002971200000000, 0.0001679900000000, -0.0002113200000000 ] - [ -0.0000768700000000, -0.0000040400000000, -0.0000546000000000 ] - [ 0.0001631900000000, 0.0000665400000000, 0.0001073100000000 ] - [ 0.0001081500000000, -0.0000159900000000, 0.0000289400000000 ] - [ -0.0000858900000000, -0.0000194900000000, 0.0000392500000000 ] - [ -0.0005753900000000, 0.0003218400000000, -0.0012901400000000 ] - [ 0.0000091300000000, -0.0001234700000000, -0.0005561000000000 ] - [ -0.0002553000000000, 0.0000346600000000, -0.0000579100000000 ] - [ -0.0000223400000000, -0.0000386700000000, 0.0000006600000000 ] - [ -0.0001028600000000, -0.0000865600000000, -0.0000803200000000 ] - [ 0.0029596900000000, 0.0124774900000000, -0.0011859400000000 ] - [ -0.0026801600000000, 0.0080224500000000, 0.0022915600000000 ] - [ 0.0006469200000000, -0.0003256200000000, -0.0007674600000000 ] - [ 0.0030823100000000, 0.0014630700000000, -0.0022368200000000 ] - [ 0.0000260400000000, 0.0000146200000000, 0.0001065700000000 ] - [ -0.0001943600000000, 0.0002599700000000, 0.0001333900000000 ] - [ 0.0009369200000000, 0.0001381000000000, 0.0022175400000000 ] - [ 0.0001055900000000, 0.0003042100000000, -0.0003476800000000 ] - [ 0.0000164500000000, 0.0002269900000000, 0.0001098700000000 ] - [ -0.0010130600000000, -0.0000965500000000, 0.0028981700000000 ] - [ -0.0000898900000000, 0.0003241700000000, -0.0003193500000000 ] - [ -0.0000485700000000, 0.0008496400000000, 0.0000319800000000 ] - [ 0.0000957100000000, -0.0000030600000000, -0.0000022400000000 ] - [ 0.0001981200000000, -0.0005243700000000, 0.0001717800000000 ] - [ 0.0006842100000000, -0.0013836700000000, -0.0029662900000000 ] - [ -0.0000817500000000, -0.0000064600000000, -0.0000186300000000 ] - [ 0.0000335600000000, 0.0000469000000000, -0.0000873800000000 ] - [ 0.0000559500000000, -0.0000553900000000, -0.0001217400000000 ] - [ 0.0000057800000000, -0.0000530200000000, -0.0002888200000000 ] - [ -0.0000346300000000, -0.0000111600000000, -0.0001002800000000 ] - [ -0.0000537900000000, 0.0000101400000000, -0.0001071000000000 ] - [ -0.0000253300000000, -0.0000161700000000, 0.0001239300000000 ] - [ 0.0003339300000000, -0.0000926600000000, 0.0029498200000000 ] - [ -0.0000017600000000, 0.0000137100000000, -0.0001573300000000 ] - [ 0.0000852400000000, -0.0002213800000000, -0.0002064200000000 ] - [ -0.0002509100000000, 0.0005058800000000, -0.0000067600000000 ] - [ 0.0005653400000000, 0.0007719200000000, -0.0001581000000000 ] - [ -0.0087604600000000, -0.1309134400000000, 0.0034111200000000 ] - [ -0.0011818700000000, 0.0290619200000000, -0.0005422100000000 ] - [ 0.0000682400000000, -0.0002814500000000, 0.0001242500000000 ] - [ 0.0005044700000000, 0.0050936100000000, 0.0008398400000000 ] - [ 0.0001684800000000, 0.0000294200000000, 0.0000218000000000 ] - [ 0.0000484700000000, 0.0002488000000000, -0.0000890800000000 ] - [ 0.0000598000000000, -0.0003210700000000, 0.0007452700000000 ] - [ -0.0000656100000000, -0.0003159800000000, -0.0005251100000000 ] - [ -0.0001636700000000, 0.0004060200000000, 0.0001994400000000 ] - [ -0.0000840900000000, -0.0000349400000000, 0.0000584400000000 ] - [ -0.0000690000000000, -0.0000557100000000, 0.0000338400000000 ] - [ 0.0000683900000000, 0.0000753300000000, 0.0000432200000000 ] - [ 0.0000361600000000, -0.0000623500000000, 0.0000461800000000 ] - [ -0.0000463100000000, 0.0000546100000000, 0.0000097300000000 ] - [ 0.0010635100000000, -0.0011133400000000, 0.0058783800000000 ] - [ -0.0002060300000000, 0.0002518900000000, -0.0000902900000000 ] - [ 0.0000920800000000, -0.0000935500000000, 0.0006492200000000 ]- atom: 88 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000904800000000, 0.0000736700000000, -0.0000871400000000 ] - [ -0.0000957500000000, 0.0005073600000000, -0.0007068300000000 ] - [ -0.0000739200000000, -0.0000411100000000, 0.0002251400000000 ] - [ 0.0002279300000000, 0.0000455800000000, -0.0000365000000000 ] - [ 0.0015127600000000, -0.0003956700000000, -0.0000552600000000 ] - [ -0.0005433300000000, 0.0002556500000000, -0.0000464900000000 ] - [ 0.0258100000000000, -0.0256843000000000, 0.0021104600000000 ] - [ 0.0005112200000000, 0.0000571400000000, -0.0002552400000000 ] - [ 0.0009675500000000, -0.0006015400000000, 0.0005400700000000 ] - [ 0.0000488100000000, -0.0101165200000000, 0.0102621600000000 ] - [ -0.0000095900000000, -0.0000631400000000, 0.0001130600000000 ] - [ 0.0000932100000000, 0.0004777400000000, 0.0002636500000000 ] - [ -0.0001255600000000, -0.0034522500000000, -0.0038988100000000 ] - [ -0.0301567600000000, -0.0340467300000000, 0.0013752700000000 ] - [ 0.0004390300000000, 0.0000447900000000, -0.0000232800000000 ] - [ -0.0016796000000000, -0.0004962700000000, -0.0000710200000000 ] - [ -0.0002872400000000, -0.0002589000000000, -0.0000481100000000 ] - [ -0.0000672100000000, 0.0001434000000000, -0.0000665100000000 ] - [ -0.0002149100000000, 0.0000213700000000, 0.0000717900000000 ] - [ -0.0000978200000000, 0.0003278800000000, 0.0012356400000000 ] - [ 0.0001426700000000, 0.0002409700000000, -0.0011958700000000 ] - [ 0.0001842500000000, -0.0007876100000000, 0.0001294000000000 ] - [ -0.0001130800000000, 0.0001580100000000, -0.0001036500000000 ] - [ 0.0000546800000000, 0.0000724400000000, 0.0000406300000000 ] - [ 0.0000631900000000, -0.0000453000000000, 0.0000111500000000 ] - [ 0.0001714200000000, 0.0000445700000000, -0.0000177800000000 ] - [ 0.0002249300000000, 0.0000052200000000, -0.0000095200000000 ] - [ 0.0000486500000000, -0.0000563800000000, -0.0000664700000000 ] - [ -0.0001042800000000, 0.0000216400000000, -0.0000033000000000 ] - [ -0.0000868400000000, 0.0000176900000000, -0.0001895700000000 ] - [ -0.0000829600000000, 0.0000121000000000, -0.0002007500000000 ] - [ 0.0000665000000000, 0.0000192800000000, 0.0000836200000000 ] - [ -0.0000487900000000, -0.0000299400000000, -0.0000370800000000 ] - [ -0.0001159300000000, -0.0000418900000000, 0.0000324300000000 ] - [ -0.0001767700000000, 0.0000717600000000, 0.0001584800000000 ] - [ 0.0002560100000000, 0.0000141400000000, -0.0000244500000000 ] - [ -0.0000695700000000, -0.0000050300000000, 0.0001111600000000 ] - [ -0.0000646100000000, 0.0000253500000000, -0.0000438900000000 ] - [ -0.0000023900000000, -0.0000313600000000, -0.0000454100000000 ] - [ 0.0001743700000000, 0.0000440000000000, -0.0001924500000000 ] - [ 0.0001790500000000, -0.0000632000000000, -0.0002101400000000 ] - [ 0.0000695300000000, -0.0000031500000000, -0.0000075300000000 ] - [ -0.0000755300000000, -0.0000348200000000, 0.0000357500000000 ] - [ 0.0000799500000000, 0.0000235800000000, -0.0000097600000000 ] - [ -0.0000680700000000, 0.0000174300000000, 0.0000367800000000 ] - [ 0.0000025900000000, -0.0000054300000000, -0.0000515300000000 ] - [ 0.0000610300000000, -0.0000190100000000, -0.0000511900000000 ] - [ 0.0001148500000000, -0.0000115300000000, 0.0000027700000000 ] - [ -0.0001113100000000, -0.0001026400000000, 0.0001315800000000 ] - [ -0.0002607400000000, -0.0001525000000000, 0.0002898000000000 ] - [ -0.0000791200000000, -0.0001798500000000, 0.0002332100000000 ] - [ -0.0001365300000000, 0.0000250900000000, 0.0002272300000000 ] - [ 0.0000533800000000, -0.0000376700000000, 0.0000642600000000 ] - [ 0.0001076100000000, 0.0000037500000000, 0.0001288100000000 ] - [ -0.0001287500000000, -0.0000226600000000, 0.0001498600000000 ] - [ 0.0007483700000000, -0.0002652800000000, 0.0013888000000000 ] - [ 0.0001700200000000, 0.0000426300000000, 0.0006576300000000 ] - [ 0.0003860500000000, -0.0000364000000000, -0.0000158500000000 ] - [ 0.0000627700000000, 0.0002299500000000, 0.0001303200000000 ] - [ 0.0001320100000000, -0.0001084200000000, 0.0002249700000000 ] - [ -0.0036021200000000, -0.0133306400000000, 0.0011840900000000 ] - [ 0.0024419100000000, -0.0080224600000000, -0.0025858700000000 ] - [ -0.0008800000000000, 0.0003063800000000, 0.0004399400000000 ] - [ -0.0027698300000000, -0.0018753500000000, 0.0023995000000000 ] - [ 0.0000236900000000, -0.0000147100000000, 0.0000778400000000 ] - [ 0.0000371100000000, -0.0002583900000000, -0.0001459000000000 ] - [ -0.0008267200000000, -0.0000778200000000, -0.0024789100000000 ] - [ 0.0000096600000000, -0.0003636600000000, 0.0000541700000000 ] - [ -0.0000089200000000, -0.0002263000000000, -0.0002176500000000 ] - [ 0.0009169200000000, 0.0000333500000000, -0.0031524300000000 ] - [ -0.0000182300000000, -0.0002646700000000, 0.0000256600000000 ] - [ 0.0000033700000000, -0.0008472900000000, 0.0001531800000000 ] - [ 0.0000697200000000, 0.0000063600000000, -0.0000127900000000 ] - [ -0.0001911600000000, 0.0005107800000000, -0.0002873300000000 ] - [ -0.0006431000000000, 0.0013642500000000, 0.0031582700000000 ] - [ -0.0000855000000000, 0.0000039900000000, 0.0000190900000000 ] - [ 0.0000817100000000, 0.0000079400000000, -0.0002072400000000 ] - [ 0.0000524600000000, -0.0000044000000000, -0.0001703700000000 ] - [ 0.0000086400000000, 0.0000605000000000, 0.0001819300000000 ] - [ -0.0000764800000000, -0.0000558900000000, -0.0001998700000000 ] - [ -0.0000497900000000, 0.0000495000000000, -0.0001856400000000 ] - [ -0.0000194100000000, 0.0000119300000000, 0.0000693000000000 ] - [ -0.0001720500000000, 0.0000816400000000, -0.0029835100000000 ] - [ 0.0000143700000000, -0.0000283100000000, 0.0000480200000000 ] - [ -0.0003051200000000, 0.0000279600000000, 0.0003828700000000 ] - [ 0.0000315300000000, -0.0003145300000000, 0.0002023100000000 ] - [ -0.0007246200000000, -0.0007853100000000, 0.0003456500000000 ] - [ 0.0086285900000000, 0.1290473500000000, -0.0033296700000000 ] - [ 0.0011748900000000, -0.0270406300000000, 0.0005469200000000 ] - [ 0.0000454900000000, 0.0001763800000000, -0.0000746900000000 ] - [ -0.0006646000000000, -0.0049336800000000, -0.0008480800000000 ] - [ -0.0001163600000000, -0.0000384500000000, 0.0002119600000000 ] - [ 0.0001933000000000, -0.0001144400000000, 0.0002952900000000 ] - [ 0.0001831800000000, 0.0001779700000000, -0.0005213000000000 ] - [ -0.0001303000000000, -0.0000130100000000, 0.0006783800000000 ] - [ -0.0000324500000000, -0.0000889800000000, -0.0000198200000000 ] - [ -0.0002243100000000, 0.0000366500000000, 0.0000808000000000 ] - [ -0.0000459900000000, -0.0000898600000000, -0.0000384000000000 ] - [ 0.0000505600000000, -0.0000051900000000, 0.0000162200000000 ] - [ 0.0000836700000000, -0.0000144600000000, -0.0000004600000000 ] - [ -0.0000744600000000, 0.0000715000000000, -0.0000038100000000 ] - [ -0.0009993400000000, 0.0010921700000000, -0.0056590400000000 ] - [ 0.0004593300000000, -0.0001181200000000, 0.0002680200000000 ] - [ 0.0001537900000000, 0.0000123400000000, -0.0004111200000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001373600000000, 0.0000537000000000, -0.0000390100000000 ] - [ -0.0002492800000000, -0.0003696400000000, 0.0005037300000000 ] - [ -0.0001236100000000, -0.0002079200000000, -0.0000355600000000 ] - [ 0.0001653000000000, -0.0000759600000000, 0.0000393200000000 ] - [ 0.0000933700000000, -0.0007150200000000, -0.0002376600000000 ] - [ -0.0001776100000000, 0.0000093600000000, -0.0002494100000000 ] - [ 0.0001702100000000, -0.0023208200000000, 0.0119134300000000 ] - [ 0.0001966700000000, 0.0001722500000000, -0.0001509900000000 ] - [ -0.0002765400000000, -0.0009952200000000, -0.0010231700000000 ] - [ 0.0002405000000000, -0.0076549600000000, 0.0546170200000000 ] - [ -0.0000840000000000, 0.0000565200000000, 0.0001740400000000 ] - [ 0.0000781000000000, 0.0007601500000000, 0.0010518700000000 ] - [ -0.0000527800000000, 0.0001303900000000, 0.0021178300000000 ] - [ -0.0002508400000000, -0.0013834400000000, 0.0112832400000000 ] - [ -0.0001565800000000, -0.0000087900000000, 0.0001867400000000 ] - [ 0.0002382100000000, -0.0001459000000000, -0.0005234400000000 ] - [ -0.0007193100000000, -0.0008264400000000, -0.0005628400000000 ] - [ -0.0000876700000000, 0.0002716800000000, -0.0000119400000000 ] - [ -0.0003135100000000, -0.0000104400000000, -0.0000670300000000 ] - [ -0.0001195900000000, -0.0003431700000000, 0.0003359500000000 ] - [ 0.0001486000000000, 0.0002350300000000, 0.0000250500000000 ] - [ 0.0001158800000000, 0.0002268700000000, -0.0013694200000000 ] - [ -0.0000966500000000, 0.0000277200000000, -0.0000273200000000 ] - [ 0.0002006900000000, -0.0000802100000000, 0.0000584600000000 ] - [ 0.0001185900000000, -0.0000456000000000, 0.0000036600000000 ] - [ 0.0002682500000000, -0.0000829600000000, -0.0001228400000000 ] - [ 0.0006985900000000, -0.0002509800000000, -0.0005091200000000 ] - [ 0.0001349800000000, -0.0000864500000000, 0.0000326400000000 ] - [ -0.0000811400000000, -0.0000093500000000, -0.0000414300000000 ] - [ -0.0001183200000000, 0.0000293800000000, -0.0001896800000000 ] - [ -0.0001902700000000, -0.0001392300000000, -0.0003296800000000 ] - [ 0.0000477900000000, -0.0000074600000000, 0.0000602200000000 ] - [ -0.0010873400000000, 0.0002405000000000, -0.0004100600000000 ] - [ -0.0000528000000000, 0.0002110700000000, -0.0002170300000000 ] - [ -0.0000854900000000, -0.0000413800000000, -0.0001837100000000 ] - [ 0.0006793700000000, -0.0001648500000000, -0.0000935000000000 ] - [ -0.0000795900000000, 0.0000020500000000, 0.0000190200000000 ] - [ -0.0000032500000000, 0.0000177400000000, -0.0000882400000000 ] - [ -0.0000756100000000, -0.0000428400000000, -0.0000598700000000 ] - [ 0.0001456400000000, 0.0000936900000000, -0.0004507600000000 ] - [ 0.0000685400000000, 0.0000091400000000, -0.0002426400000000 ] - [ 0.0000902100000000, 0.0000027300000000, -0.0000884900000000 ] - [ -0.0000684400000000, -0.0000168000000000, -0.0002492200000000 ] - [ 0.0000757400000000, 0.0000133100000000, -0.0001890700000000 ] - [ -0.0000906700000000, 0.0000071100000000, -0.0000965000000000 ] - [ 0.0000849200000000, 0.0000272300000000, -0.0000464100000000 ] - [ 0.0000114000000000, -0.0000310200000000, -0.0000761000000000 ] - [ 0.0001050900000000, 0.0000188300000000, -0.0000487200000000 ] - [ 0.0000477400000000, 0.0000084800000000, 0.0001066400000000 ] - [ 0.0007052500000000, 0.0001312400000000, -0.0003660400000000 ] - [ 0.0002739900000000, -0.0003832500000000, 0.0002806800000000 ] - [ -0.0000906600000000, 0.0000795400000000, 0.0001386900000000 ] - [ 0.0001508100000000, 0.0001268000000000, 0.0000036200000000 ] - [ 0.0001053800000000, 0.0000385000000000, 0.0000482300000000 ] - [ -0.0000739900000000, -0.0001244100000000, 0.0000988700000000 ] - [ -0.0002895400000000, -0.0000074600000000, 0.0006885400000000 ] - [ 0.0001667200000000, -0.0007801300000000, -0.0003327900000000 ] - [ -0.0008363000000000, -0.0003093500000000, -0.0001116100000000 ] - [ -0.0000583600000000, 0.0001613000000000, 0.0000802600000000 ] - [ -0.0005229400000000, 0.0000420400000000, -0.0001072900000000 ] - [ -0.0008058900000000, 0.0008774500000000, 0.0071372300000000 ] - [ -0.0031057600000000, 0.0000080300000000, 0.0218037200000000 ] - [ 0.0003571100000000, -0.0001186400000000, 0.0002616200000000 ] - [ 0.0014597000000000, -0.0012059700000000, 0.0062280100000000 ] - [ 0.0000241500000000, -0.0000266100000000, 0.0001666300000000 ] - [ -0.0001921300000000, -0.0000244500000000, -0.0000671200000000 ] - [ -0.0037379300000000, 0.0044338600000000, 0.0004178200000000 ] - [ -0.0001823700000000, -0.0003160100000000, -0.0001672500000000 ] - [ -0.0000034000000000, 0.0000646100000000, -0.0000004300000000 ] - [ 0.0035941000000000, 0.0047746000000000, 0.0004875600000000 ] - [ 0.0001674500000000, -0.0002787600000000, -0.0001838600000000 ] - [ -0.0000974600000000, -0.0000380600000000, -0.0001052300000000 ] - [ 0.0000813000000000, 0.0000516100000000, 0.0000465200000000 ] - [ 0.0004860400000000, -0.0025020600000000, 0.0021933700000000 ] - [ -0.0001896800000000, -0.0012515400000000, -0.0008964700000000 ] - [ -0.0000851800000000, -0.0000413300000000, 0.0002186500000000 ] - [ 0.0000559700000000, 0.0000124700000000, -0.0001193000000000 ] - [ 0.0000437300000000, -0.0000148500000000, 0.0000365900000000 ] - [ -0.0000606700000000, 0.0004159900000000, 0.0009558100000000 ] - [ -0.0000624300000000, -0.0000508300000000, -0.0001433500000000 ] - [ -0.0000398600000000, 0.0000569100000000, 0.0000762300000000 ] - [ -0.0000370400000000, 0.0000284700000000, 0.0001325800000000 ] - [ 0.0025419000000000, 0.0024157000000000, -0.0006982000000000 ] - [ -0.0000277300000000, -0.0000757800000000, 0.0000931600000000 ] - [ -0.0003381100000000, -0.0003293200000000, -0.0001800000000000 ] - [ -0.0002435800000000, 0.0001732100000000, -0.0000771300000000 ] - [ 0.0008853200000000, -0.0005063700000000, 0.0003792700000000 ] - [ -0.0002073200000000, 0.0037787700000000, -0.1266788700000000 ] - [ 0.0010360900000000, 0.0006552400000000, 0.0108431400000000 ] - [ 0.0001922800000000, 0.0000531500000000, -0.0005163800000000 ] - [ 0.0008616900000000, -0.0008048700000000, -0.0015016800000000 ] - [ -0.0002307800000000, 0.0000456200000000, 0.0003693700000000 ] - [ 0.0002542400000000, -0.0002270500000000, 0.0001506600000000 ] - [ 0.0002045700000000, 0.0011641400000000, 0.0001219600000000 ] - [ -0.0005351100000000, -0.0002948700000000, -0.0002196900000000 ] - [ -0.0005667200000000, -0.0006496000000000, 0.0020743800000000 ] - [ 0.0010018300000000, 0.0000443200000000, 0.0013916500000000 ] - [ -0.0000994600000000, -0.0000883800000000, 0.0000621400000000 ] - [ 0.0001150200000000, 0.0000505200000000, 0.0000693000000000 ] - [ 0.0000935400000000, -0.0000096600000000, 0.0002719000000000 ] - [ -0.0000974400000000, 0.0000411700000000, 0.0002079200000000 ] - [ -0.0014134600000000, 0.0024296100000000, 0.0002431800000000 ] - [ 0.0001518400000000, 0.0014036500000000, -0.0001508500000000 ] - [ -0.0002248900000000, 0.0003330600000000, 0.0003463300000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000208800000000, -0.0000504800000000, -0.0000317600000000 ] - [ 0.0000745000000000, 0.0004834300000000, -0.0004241500000000 ] - [ -0.0000386900000000, 0.0000972200000000, 0.0001248300000000 ] - [ 0.0002384700000000, 0.0000786700000000, -0.0000079000000000 ] - [ -0.0001753700000000, 0.0006986300000000, 0.0004367200000000 ] - [ 0.0002700200000000, 0.0000249700000000, 0.0001444000000000 ] - [ 0.0000275100000000, 0.0021047500000000, -0.0120069800000000 ] - [ 0.0000199300000000, -0.0001674800000000, -0.0001697400000000 ] - [ 0.0004676800000000, 0.0010106500000000, 0.0007411900000000 ] - [ -0.0000843400000000, 0.0072125100000000, -0.0516481800000000 ] - [ -0.0000651100000000, -0.0000916400000000, -0.0002920500000000 ] - [ 0.0000547800000000, -0.0007165900000000, -0.0011813000000000 ] - [ -0.0001018700000000, -0.0000823100000000, -0.0022054700000000 ] - [ 0.0000485400000000, 0.0011569700000000, -0.0113554700000000 ] - [ 0.0000678000000000, -0.0000166100000000, -0.0002937700000000 ] - [ -0.0000934400000000, 0.0001102400000000, 0.0005191100000000 ] - [ 0.0006530300000000, 0.0006329100000000, 0.0006708000000000 ] - [ 0.0000225300000000, -0.0000857000000000, 0.0001442500000000 ] - [ -0.0001676200000000, 0.0000090600000000, 0.0000128000000000 ] - [ -0.0000923800000000, 0.0003441600000000, -0.0002311600000000 ] - [ 0.0000596200000000, -0.0002110200000000, 0.0001085900000000 ] - [ 0.0000907100000000, -0.0002292500000000, 0.0014917700000000 ] - [ -0.0001139900000000, -0.0000587800000000, 0.0001443000000000 ] - [ 0.0000316900000000, 0.0000849000000000, 0.0001166100000000 ] - [ 0.0001095200000000, 0.0000492900000000, 0.0001815900000000 ] - [ -0.0001220500000000, 0.0000796500000000, 0.0000843900000000 ] - [ -0.0006419900000000, 0.0004224800000000, 0.0006121900000000 ] - [ -0.0000779500000000, -0.0000928200000000, 0.0000968900000000 ] - [ -0.0000728700000000, 0.0000139800000000, 0.0000524100000000 ] - [ -0.0001397500000000, 0.0000310100000000, -0.0000915900000000 ] - [ -0.0000757600000000, 0.0000811100000000, 0.0000476400000000 ] - [ 0.0000359000000000, 0.0000147400000000, 0.0001820800000000 ] - [ 0.0009810900000000, -0.0002318600000000, 0.0003914500000000 ] - [ -0.0002076700000000, -0.0002534100000000, 0.0004265900000000 ] - [ -0.0001760700000000, 0.0000725700000000, 0.0003762900000000 ] - [ -0.0001903100000000, 0.0001697500000000, 0.0000032100000000 ] - [ -0.0000025600000000, -0.0000147700000000, 0.0002285200000000 ] - [ 0.0000841100000000, 0.0000226800000000, -0.0000147900000000 ] - [ 0.0001191700000000, 0.0000052500000000, -0.0000351200000000 ] - [ 0.0001476700000000, -0.0000355900000000, 0.0001547200000000 ] - [ 0.0002110800000000, -0.0000772100000000, -0.0000386500000000 ] - [ 0.0000628600000000, -0.0000045700000000, -0.0000272200000000 ] - [ -0.0000799100000000, -0.0000135300000000, 0.0001261200000000 ] - [ 0.0000687700000000, 0.0000178900000000, 0.0000642500000000 ] - [ -0.0000649400000000, -0.0000130200000000, -0.0000253700000000 ] - [ -0.0001339700000000, -0.0000010800000000, -0.0000489400000000 ] - [ -0.0000997800000000, 0.0000081100000000, -0.0000283600000000 ] - [ 0.0000444200000000, -0.0000316500000000, 0.0000531900000000 ] - [ -0.0001104700000000, -0.0002249600000000, 0.0000018000000000 ] - [ -0.0007580700000000, 0.0000860900000000, 0.0005052000000000 ] - [ -0.0007382800000000, 0.0003862500000000, -0.0003362700000000 ] - [ -0.0001235800000000, -0.0000886700000000, -0.0000222700000000 ] - [ 0.0000635800000000, -0.0000844300000000, 0.0001821000000000 ] - [ 0.0001112300000000, -0.0000555200000000, 0.0001116000000000 ] - [ -0.0001385600000000, 0.0001012600000000, 0.0000379700000000 ] - [ 0.0005644800000000, -0.0000376600000000, -0.0005007900000000 ] - [ 0.0000838600000000, 0.0008039600000000, 0.0005120600000000 ] - [ 0.0009703500000000, 0.0003052100000000, 0.0000684500000000 ] - [ 0.0001350700000000, 0.0000006200000000, 0.0000348600000000 ] - [ 0.0005879200000000, -0.0002073500000000, 0.0002535900000000 ] - [ 0.0007345600000000, -0.0007950100000000, -0.0071187900000000 ] - [ 0.0030533600000000, -0.0002021900000000, -0.0238079900000000 ] - [ -0.0006546500000000, 0.0000411600000000, -0.0005324100000000 ] - [ -0.0013915700000000, 0.0011634400000000, -0.0059633600000000 ] - [ 0.0000238200000000, 0.0000271400000000, 0.0000233000000000 ] - [ 0.0000337100000000, 0.0000234600000000, 0.0000353700000000 ] - [ 0.0038091700000000, -0.0043230400000000, -0.0006951200000000 ] - [ 0.0003039400000000, 0.0002508200000000, -0.0001380600000000 ] - [ -0.0000075500000000, -0.0000795400000000, -0.0001089700000000 ] - [ -0.0036664600000000, -0.0047808000000000, -0.0007660000000000 ] - [ -0.0002914300000000, 0.0003398800000000, -0.0001235300000000 ] - [ 0.0000481900000000, 0.0000367200000000, 0.0002846600000000 ] - [ 0.0000905300000000, -0.0000543400000000, -0.0000361500000000 ] - [ -0.0004983800000000, 0.0025196800000000, -0.0023254400000000 ] - [ 0.0002328800000000, 0.0012398900000000, 0.0010653600000000 ] - [ -0.0000960100000000, 0.0000392800000000, -0.0001978200000000 ] - [ 0.0000593900000000, 0.0000473500000000, -0.0001709800000000 ] - [ 0.0000712100000000, -0.0000435000000000, -0.0003378300000000 ] - [ 0.0000657100000000, -0.0004133100000000, -0.0010675800000000 ] - [ -0.0000546000000000, -0.0000124300000000, -0.0001581800000000 ] - [ -0.0000775600000000, 0.0000077100000000, -0.0003797100000000 ] - [ -0.0000140400000000, -0.0000331900000000, 0.0000516500000000 ] - [ -0.0023905500000000, -0.0024426400000000, 0.0006899600000000 ] - [ 0.0000326200000000, 0.0000678100000000, -0.0002079100000000 ] - [ 0.0000668900000000, 0.0002396900000000, 0.0003593800000000 ] - [ -0.0000180900000000, -0.0001185600000000, 0.0003001600000000 ] - [ -0.0008188000000000, 0.0005129200000000, -0.0000809400000000 ] - [ -0.0001425500000000, -0.0029448200000000, 0.1251592400000000 ] - [ -0.0009200800000000, -0.0004984300000000, -0.0108514900000000 ] - [ -0.0000735800000000, -0.0000713600000000, 0.0005419900000000 ] - [ -0.0009596800000000, 0.0008524600000000, 0.0014949500000000 ] - [ 0.0004206700000000, -0.0000489100000000, -0.0001700400000000 ] - [ -0.0000377300000000, 0.0005024900000000, 0.0000146300000000 ] - [ 0.0000076900000000, -0.0014437200000000, 0.0000482700000000 ] - [ 0.0003362100000000, -0.0000489100000000, 0.0003669000000000 ] - [ 0.0003648100000000, 0.0010103700000000, -0.0019029100000000 ] - [ -0.0013073100000000, -0.0000406400000000, -0.0012622500000000 ] - [ -0.0000155100000000, -0.0000116800000000, -0.0000369900000000 ] - [ 0.0000079800000000, 0.0000359100000000, -0.0000371000000000 ] - [ 0.0000309800000000, -0.0000134000000000, -0.0002381100000000 ] - [ -0.0000182200000000, 0.0000222300000000, -0.0001930000000000 ] - [ 0.0015438900000000, -0.0023602400000000, -0.0000903700000000 ] - [ 0.0000568100000000, -0.0011505000000000, 0.0003151500000000 ] - [ 0.0004596900000000, -0.0005922700000000, -0.0001791600000000 ]