# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4c5e695c-a347-477d-94b9-9f23500fbf0f/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 NaCa2Al4H8C4ClO20 / P4/nmm (129) / materials id 698491](https://mdr.nims.go.jp/datasets/46cfbd3d-a235-4238-b722-16856bb672ae) ## 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: "P4/nmm" number: 129 Hall_symbol: "P 4ab 2ab -1ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 11.222085659999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.222085659999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.497041390000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.073450900000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.926549100000000 ] mass: 22.989769 - symbol: Ca # 3 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 4 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 5 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 6 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Al # 7 coordinates: [ 0.345301060000000, 0.654698940000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 8 coordinates: [ 0.654698940000000, 0.654698940000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 9 coordinates: [ 0.345301060000000, 0.345301060000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.654698940000000, 0.345301060000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.154698940000000, 0.845301060000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.845301060000000, 0.845301060000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.154698940000000, 0.154698940000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.845301060000000, 0.154698940000000, 0.500000000000000 ] mass: 26.981539 - symbol: H # 15 coordinates: [ 0.697393830000000, 0.500000000000000, 0.260742610000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.302606170000000, 0.500000000000000, 0.260742610000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.000000000000000, 0.197393830000000, 0.260742610000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.000000000000000, 0.802606170000000, 0.260742610000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.802606170000000, 0.000000000000000, 0.739257390000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.197393830000000, 0.000000000000000, 0.739257390000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.500000000000000, 0.302606170000000, 0.739257390000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.500000000000000, 0.697393830000000, 0.739257390000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.128145090000000, 0.628145090000000, 0.413925710000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.871854910000000, 0.628145090000000, 0.413925710000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.128145090000000, 0.371854910000000, 0.413925710000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.871854910000000, 0.371854910000000, 0.413925710000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.371854910000000, 0.871854910000000, 0.586074290000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.628145090000000, 0.871854910000000, 0.586074290000000 ] mass: 1.007940 - symbol: H # 29 coordinates: [ 0.371854910000000, 0.128145090000000, 0.586074290000000 ] mass: 1.007940 - symbol: H # 30 coordinates: [ 0.628145090000000, 0.128145090000000, 0.586074290000000 ] mass: 1.007940 - symbol: C # 31 coordinates: [ 0.263060490000000, 0.500000000000000, 0.847616580000000 ] mass: 12.010700 - symbol: C # 32 coordinates: [ 0.736939510000000, 0.500000000000000, 0.847616580000000 ] mass: 12.010700 - symbol: C # 33 coordinates: [ 0.000000000000000, 0.763060490000000, 0.847616580000000 ] mass: 12.010700 - symbol: C # 34 coordinates: [ 0.000000000000000, 0.236939510000000, 0.847616580000000 ] mass: 12.010700 - symbol: C # 35 coordinates: [ 0.236939510000000, 0.000000000000000, 0.152383420000000 ] mass: 12.010700 - symbol: C # 36 coordinates: [ 0.763060490000000, 0.000000000000000, 0.152383420000000 ] mass: 12.010700 - symbol: C # 37 coordinates: [ 0.500000000000000, 0.736939510000000, 0.152383420000000 ] mass: 12.010700 - symbol: C # 38 coordinates: [ 0.500000000000000, 0.263060490000000, 0.152383420000000 ] mass: 12.010700 - symbol: Cl # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.503252210000000 ] mass: 35.453000 - symbol: Cl # 40 coordinates: [ 0.500000000000000, 0.000000000000000, 0.496747790000000 ] mass: 35.453000 - symbol: O # 41 coordinates: [ 0.657737270000000, 0.500000000000000, 0.396955720000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.342262730000000, 0.500000000000000, 0.396955720000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.157737270000000, 0.396955720000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.842262730000000, 0.396955720000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.842262730000000, 0.000000000000000, 0.603044280000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.157737270000000, 0.000000000000000, 0.603044280000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.342262730000000, 0.603044280000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.657737270000000, 0.603044280000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.189614750000000, 0.689614750000000, 0.388342250000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.810385250000000, 0.689614750000000, 0.388342250000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.189614750000000, 0.310385250000000, 0.388342250000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.810385250000000, 0.310385250000000, 0.388342250000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.310385250000000, 0.810385250000000, 0.611657750000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.689614750000000, 0.810385250000000, 0.611657750000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.310385250000000, 0.189614750000000, 0.611657750000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.689614750000000, 0.189614750000000, 0.611657750000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.399431980000000, 0.712634570000000, 0.238903900000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.600568020000000, 0.712634570000000, 0.238903900000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.399431980000000, 0.287365430000000, 0.238903900000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.600568020000000, 0.287365430000000, 0.238903900000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.212634570000000, 0.899431980000000, 0.238903900000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.787365430000000, 0.899431980000000, 0.238903900000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.212634570000000, 0.100568020000000, 0.238903900000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.787365430000000, 0.100568020000000, 0.238903900000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.100568020000000, 0.787365430000000, 0.761096100000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.899431980000000, 0.787365430000000, 0.761096100000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.100568020000000, 0.212634570000000, 0.761096100000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.899431980000000, 0.212634570000000, 0.761096100000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.287365430000000, 0.600568020000000, 0.761096100000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.712634570000000, 0.600568020000000, 0.761096100000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.287365430000000, 0.399431980000000, 0.761096100000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.712634570000000, 0.399431980000000, 0.761096100000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.214844980000000, 0.500000000000000, 0.026765630000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.785155020000000, 0.500000000000000, 0.026765630000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.714844980000000, 0.026765630000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.285155020000000, 0.026765630000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.285155020000000, 0.000000000000000, 0.973234370000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.714844980000000, 0.000000000000000, 0.973234370000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.785155020000000, 0.973234370000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.214844980000000, 0.973234370000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.089109995262681, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.089109995262681, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.153916212006770 ] # c*unit_cell: lattice: - [ 11.222085659999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.222085659999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.497041390000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.073450900000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.926549100000000 ] mass: 22.989769 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 4 - symbol: Ca # 5 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.345301060000000, 0.654698940000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.654698940000000, 0.654698940000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.345301060000000, 0.345301060000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.654698940000000, 0.345301060000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.154698940000000, 0.845301060000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.845301060000000, 0.845301060000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.154698940000000, 0.154698940000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.845301060000000, 0.154698940000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.697393830000000, 0.500000000000000, 0.260742610000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.302606170000000, 0.500000000000000, 0.260742610000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.000000000000000, 0.197393830000000, 0.260742610000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.000000000000000, 0.802606170000000, 0.260742610000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.802606170000000, 0.000000000000000, 0.739257390000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.197393830000000, 0.000000000000000, 0.739257390000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.500000000000000, 0.302606170000000, 0.739257390000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.500000000000000, 0.697393830000000, 0.739257390000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.128145090000000, 0.628145090000000, 0.413925710000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.871854910000000, 0.628145090000000, 0.413925710000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.128145090000000, 0.371854910000000, 0.413925710000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.871854910000000, 0.371854910000000, 0.413925710000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.371854910000000, 0.871854910000000, 0.586074290000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.628145090000000, 0.871854910000000, 0.586074290000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.371854910000000, 0.128145090000000, 0.586074290000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.628145090000000, 0.128145090000000, 0.586074290000000 ] mass: 1.007940 reduced_to: 30 - symbol: C # 31 coordinates: [ 0.263060490000000, 0.500000000000000, 0.847616580000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 32 coordinates: [ 0.736939510000000, 0.500000000000000, 0.847616580000000 ] mass: 12.010700 reduced_to: 32 - symbol: C # 33 coordinates: [ 0.000000000000000, 0.763060490000000, 0.847616580000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 34 coordinates: [ 0.000000000000000, 0.236939510000000, 0.847616580000000 ] mass: 12.010700 reduced_to: 34 - symbol: C # 35 coordinates: [ 0.236939510000000, 0.000000000000000, 0.152383420000000 ] mass: 12.010700 reduced_to: 35 - symbol: C # 36 coordinates: [ 0.763060490000000, 0.000000000000000, 0.152383420000000 ] mass: 12.010700 reduced_to: 36 - symbol: C # 37 coordinates: [ 0.500000000000000, 0.736939510000000, 0.152383420000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 38 coordinates: [ 0.500000000000000, 0.263060490000000, 0.152383420000000 ] mass: 12.010700 reduced_to: 38 - symbol: Cl # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.503252210000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 40 coordinates: [ 0.500000000000000, 0.000000000000000, 0.496747790000000 ] mass: 35.453000 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.657737270000000, 0.500000000000000, 0.396955720000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.342262730000000, 0.500000000000000, 0.396955720000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.157737270000000, 0.396955720000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.842262730000000, 0.396955720000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.842262730000000, 0.000000000000000, 0.603044280000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.157737270000000, 0.000000000000000, 0.603044280000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.342262730000000, 0.603044280000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.657737270000000, 0.603044280000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.189614750000000, 0.689614750000000, 0.388342250000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.810385250000000, 0.689614750000000, 0.388342250000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.189614750000000, 0.310385250000000, 0.388342250000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.810385250000000, 0.310385250000000, 0.388342250000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.310385250000000, 0.810385250000000, 0.611657750000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.689614750000000, 0.810385250000000, 0.611657750000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.310385250000000, 0.189614750000000, 0.611657750000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.689614750000000, 0.189614750000000, 0.611657750000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.399431980000000, 0.712634570000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.600568020000000, 0.712634570000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.399431980000000, 0.287365430000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.600568020000000, 0.287365430000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.212634570000000, 0.899431980000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.787365430000000, 0.899431980000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.212634570000000, 0.100568020000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.787365430000000, 0.100568020000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.100568020000000, 0.787365430000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.899431980000000, 0.787365430000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.100568020000000, 0.212634570000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.899431980000000, 0.212634570000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.287365430000000, 0.600568020000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.712634570000000, 0.600568020000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.287365430000000, 0.399431980000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.712634570000000, 0.399431980000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.214844980000000, 0.500000000000000, 0.026765630000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.785155020000000, 0.500000000000000, 0.026765630000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.714844980000000, 0.026765630000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.285155020000000, 0.026765630000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.285155020000000, 0.000000000000000, 0.973234370000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.714844980000000, 0.000000000000000, 0.973234370000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.785155020000000, 0.973234370000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.214844980000000, 0.973234370000000 ] mass: 15.999400 reduced_to: 80supercell: lattice: - [ 11.222085659999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.222085659999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.497041390000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.073450900000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.926549100000000 ] mass: 22.989769 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 4 - symbol: Ca # 5 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.345301060000000, 0.654698940000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.654698940000000, 0.654698940000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.345301060000000, 0.345301060000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.654698940000000, 0.345301060000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.154698940000000, 0.845301060000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.845301060000000, 0.845301060000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.154698940000000, 0.154698940000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.845301060000000, 0.154698940000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.697393830000000, 0.500000000000000, 0.260742610000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.302606170000000, 0.500000000000000, 0.260742610000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.000000000000000, 0.197393830000000, 0.260742610000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.000000000000000, 0.802606170000000, 0.260742610000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.802606170000000, 0.000000000000000, 0.739257390000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.197393830000000, 0.000000000000000, 0.739257390000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.500000000000000, 0.302606170000000, 0.739257390000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.500000000000000, 0.697393830000000, 0.739257390000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.128145090000000, 0.628145090000000, 0.413925710000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.871854910000000, 0.628145090000000, 0.413925710000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.128145090000000, 0.371854910000000, 0.413925710000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.871854910000000, 0.371854910000000, 0.413925710000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.371854910000000, 0.871854910000000, 0.586074290000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.628145090000000, 0.871854910000000, 0.586074290000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.371854910000000, 0.128145090000000, 0.586074290000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.628145090000000, 0.128145090000000, 0.586074290000000 ] mass: 1.007940 reduced_to: 30 - symbol: C # 31 coordinates: [ 0.263060490000000, 0.500000000000000, 0.847616580000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 32 coordinates: [ 0.736939510000000, 0.500000000000000, 0.847616580000000 ] mass: 12.010700 reduced_to: 32 - symbol: C # 33 coordinates: [ 0.000000000000000, 0.763060490000000, 0.847616580000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 34 coordinates: [ 0.000000000000000, 0.236939510000000, 0.847616580000000 ] mass: 12.010700 reduced_to: 34 - symbol: C # 35 coordinates: [ 0.236939510000000, 0.000000000000000, 0.152383420000000 ] mass: 12.010700 reduced_to: 35 - symbol: C # 36 coordinates: [ 0.763060490000000, 0.000000000000000, 0.152383420000000 ] mass: 12.010700 reduced_to: 36 - symbol: C # 37 coordinates: [ 0.500000000000000, 0.736939510000000, 0.152383420000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 38 coordinates: [ 0.500000000000000, 0.263060490000000, 0.152383420000000 ] mass: 12.010700 reduced_to: 38 - symbol: Cl # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.503252210000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 40 coordinates: [ 0.500000000000000, 0.000000000000000, 0.496747790000000 ] mass: 35.453000 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.657737270000000, 0.500000000000000, 0.396955720000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.342262730000000, 0.500000000000000, 0.396955720000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.157737270000000, 0.396955720000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.842262730000000, 0.396955720000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.842262730000000, 0.000000000000000, 0.603044280000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.157737270000000, 0.000000000000000, 0.603044280000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.342262730000000, 0.603044280000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.657737270000000, 0.603044280000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.189614750000000, 0.689614750000000, 0.388342250000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.810385250000000, 0.689614750000000, 0.388342250000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.189614750000000, 0.310385250000000, 0.388342250000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.810385250000000, 0.310385250000000, 0.388342250000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.310385250000000, 0.810385250000000, 0.611657750000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.689614750000000, 0.810385250000000, 0.611657750000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.310385250000000, 0.189614750000000, 0.611657750000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.689614750000000, 0.189614750000000, 0.611657750000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.399431980000000, 0.712634570000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.600568020000000, 0.712634570000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.399431980000000, 0.287365430000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.600568020000000, 0.287365430000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.212634570000000, 0.899431980000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.787365430000000, 0.899431980000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.212634570000000, 0.100568020000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.787365430000000, 0.100568020000000, 0.238903900000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.100568020000000, 0.787365430000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.899431980000000, 0.787365430000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.100568020000000, 0.212634570000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.899431980000000, 0.212634570000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.287365430000000, 0.600568020000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.712634570000000, 0.600568020000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.287365430000000, 0.399431980000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.712634570000000, 0.399431980000000, 0.761096100000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.214844980000000, 0.500000000000000, 0.026765630000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.785155020000000, 0.500000000000000, 0.026765630000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.714844980000000, 0.026765630000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.285155020000000, 0.026765630000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.285155020000000, 0.000000000000000, 0.973234370000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.714844980000000, 0.000000000000000, 0.973234370000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.785155020000000, 0.973234370000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.214844980000000, 0.973234370000000 ] mass: 15.999400 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0226687900000000, 0.0000000000000000, -0.0001277500000000 ] - [ 0.0004404300000000, 0.0000000000000000, 0.0002243000000000 ] - [ 0.0011636900000000, 0.0038365200000000, -0.0000398000000000 ] - [ 0.0011587600000000, -0.0038612000000000, 0.0000360500000000 ] - [ 0.0011636900000000, -0.0038365200000000, -0.0000398000000000 ] - [ 0.0011587600000000, 0.0038612000000000, 0.0000360500000000 ] - [ 0.0030926000000000, 0.0018794100000000, -0.0012075400000000 ] - [ 0.0027326100000000, -0.0022323800000000, 0.0012065300000000 ] - [ 0.0030926000000000, -0.0018794100000000, -0.0012075400000000 ] - [ 0.0027326100000000, 0.0022323800000000, 0.0012065300000000 ] - [ -0.0013425400000000, 0.0014759400000000, 0.0003900400000000 ] - [ -0.0009651700000000, -0.0011096100000000, -0.0003836100000000 ] - [ -0.0013425400000000, -0.0014759400000000, 0.0003900400000000 ] - [ -0.0009651700000000, 0.0011096100000000, -0.0003836100000000 ] - [ 0.0017495100000000, 0.0000000000000000, -0.0018536100000000 ] - [ 0.0013832000000000, 0.0000000000000000, 0.0014800600000000 ] - [ -0.0004722200000000, 0.0001921400000000, -0.0001938100000000 ] - [ -0.0004722200000000, -0.0001921400000000, -0.0001938100000000 ] - [ -0.0002578500000000, 0.0000000000000000, 0.0002450600000000 ] - [ 0.0001190800000000, 0.0000000000000000, 0.0001370300000000 ] - [ 0.0004859400000000, -0.0001901000000000, 0.0001916200000000 ] - [ 0.0004859400000000, 0.0001901000000000, 0.0001916200000000 ] - [ -0.0010198500000000, 0.0000274000000000, 0.0015654100000000 ] - [ -0.0008863800000000, -0.0001463600000000, -0.0019412200000000 ] - [ -0.0010198500000000, -0.0000274000000000, 0.0015654100000000 ] - [ -0.0008863800000000, 0.0001463600000000, -0.0019412200000000 ] - [ 0.0004426100000000, 0.0002367900000000, 0.0000932400000000 ] - [ 0.0003277000000000, -0.0001212000000000, 0.0002921600000000 ] - [ 0.0004426100000000, -0.0002367900000000, 0.0000932400000000 ] - [ 0.0003277000000000, 0.0001212000000000, 0.0002921600000000 ] - [ 0.0061018200000000, 0.0000000000000000, -0.0104773100000000 ] - [ 0.0061934000000000, 0.0000000000000000, 0.0109834500000000 ] - [ -0.0031426600000000, -0.0000904200000000, 0.0002786900000000 ] - [ -0.0031426600000000, 0.0000904200000000, 0.0002786900000000 ] - [ 0.0001972800000000, 0.0000000000000000, -0.0004445100000000 ] - [ 0.0000431200000000, 0.0000000000000000, -0.0000674200000000 ] - [ 0.0031980300000000, 0.0000785600000000, -0.0002581300000000 ] - [ 0.0031980300000000, -0.0000785600000000, -0.0002581300000000 ] - [ 0.0028598100000000, 0.0000000000000000, -0.0005129200000000 ] - [ -0.0006685700000000, 0.0000000000000000, 0.0004987400000000 ] - [ -0.0020040300000000, 0.0000000000000000, 0.0010767200000000 ] - [ -0.0008416300000000, 0.0000000000000000, -0.0000272900000000 ] - [ 0.0012814600000000, -0.0005838400000000, 0.0005283900000000 ] - [ 0.0012814600000000, 0.0005838400000000, 0.0005283900000000 ] - [ 0.0008532000000000, 0.0000000000000000, -0.0005203100000000 ] - [ -0.0003080200000000, 0.0000000000000000, -0.0005347400000000 ] - [ -0.0023683700000000, 0.0005845100000000, -0.0005265600000000 ] - [ -0.0023683700000000, -0.0005845100000000, -0.0005265600000000 ] - [ 0.0003478900000000, -0.0013863600000000, -0.0012071900000000 ] - [ 0.0004905000000000, 0.0012240000000000, 0.0012184700000000 ] - [ 0.0003478900000000, 0.0013863600000000, -0.0012071900000000 ] - [ 0.0004905000000000, -0.0012240000000000, 0.0012184700000000 ] - [ -0.0006492200000000, -0.0007725500000000, 0.0000507500000000 ] - [ -0.0008090600000000, 0.0009242200000000, -0.0000709400000000 ] - [ -0.0006492200000000, 0.0007725500000000, 0.0000507500000000 ] - [ -0.0008090600000000, -0.0009242200000000, -0.0000709400000000 ] - [ -0.0024028400000000, -0.0007159200000000, 0.0002799500000000 ] - [ -0.0016862500000000, 0.0007668500000000, -0.0005007700000000 ] - [ -0.0024028400000000, 0.0007159200000000, 0.0002799500000000 ] - [ -0.0016862500000000, -0.0007668500000000, -0.0005007700000000 ] - [ 0.0001286200000000, -0.0006723900000000, -0.0001920500000000 ] - [ 0.0000725500000000, -0.0000463300000000, -0.0000301600000000 ] - [ 0.0001286200000000, 0.0006723900000000, -0.0001920500000000 ] - [ 0.0000725500000000, 0.0000463300000000, -0.0000301600000000 ] - [ 0.0023224200000000, -0.0003055200000000, -0.0007920100000000 ] - [ 0.0015881400000000, 0.0002564300000000, 0.0010002600000000 ] - [ 0.0023224200000000, 0.0003055200000000, -0.0007920100000000 ] - [ 0.0015881400000000, -0.0002564300000000, 0.0010002600000000 ] - [ -0.0019288600000000, -0.0031955500000000, 0.0037790700000000 ] - [ -0.0018660800000000, 0.0039064400000000, -0.0035468400000000 ] - [ -0.0019288600000000, 0.0031955500000000, 0.0037790700000000 ] - [ -0.0018660800000000, -0.0039064400000000, -0.0035468400000000 ] - [ 0.0030260300000000, 0.0000000000000000, 0.0021046500000000 ] - [ 0.0026207900000000, 0.0000000000000000, -0.0019884600000000 ] - [ 0.0025578900000000, -0.0000754200000000, 0.0001112700000000 ] - [ 0.0025578900000000, 0.0000754200000000, 0.0001112700000000 ] - [ -0.0001341000000000, 0.0000000000000000, 0.0000221500000000 ] - [ -0.0002750500000000, 0.0000000000000000, -0.0002528500000000 ] - [ -0.0010667200000000, 0.0000676200000000, -0.0001137400000000 ] - [ -0.0010667200000000, -0.0000676200000000, -0.0001137400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0159105200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002341600000000 ] - [ 0.0005179400000000, 0.0005179400000000, -0.0008702200000000 ] - [ -0.0005179400000000, 0.0005179400000000, -0.0008702200000000 ] - [ 0.0005179400000000, -0.0005179400000000, -0.0008702200000000 ] - [ -0.0005179400000000, -0.0005179400000000, -0.0008702200000000 ] - [ 0.0009676300000000, -0.0003390500000000, 0.0009081400000000 ] - [ -0.0009676300000000, -0.0003390500000000, 0.0009081400000000 ] - [ 0.0009676300000000, 0.0003390500000000, 0.0009081400000000 ] - [ -0.0009676300000000, 0.0003390500000000, 0.0009081400000000 ] - [ -0.0003390500000000, 0.0009676300000000, 0.0009081400000000 ] - [ 0.0003390500000000, 0.0009676300000000, 0.0009081400000000 ] - [ -0.0003390500000000, -0.0009676300000000, 0.0009081400000000 ] - [ 0.0003390500000000, -0.0009676300000000, 0.0009081400000000 ] - [ -0.0001519500000000, 0.0000000000000000, -0.0008525500000000 ] - [ 0.0001519500000000, 0.0000000000000000, -0.0008525500000000 ] - [ 0.0000000000000000, -0.0001519500000000, -0.0008525500000000 ] - [ 0.0000000000000000, 0.0001519500000000, -0.0008525500000000 ] - [ -0.0001031200000000, 0.0000000000000000, 0.0001881000000000 ] - [ 0.0001031200000000, 0.0000000000000000, 0.0001881000000000 ] - [ 0.0000000000000000, -0.0001031200000000, 0.0001881000000000 ] - [ 0.0000000000000000, 0.0001031200000000, 0.0001881000000000 ] - [ 0.0011146100000000, 0.0011146100000000, 0.0011983600000000 ] - [ -0.0011146100000000, 0.0011146100000000, 0.0011983600000000 ] - [ 0.0011146100000000, -0.0011146100000000, 0.0011983600000000 ] - [ -0.0011146100000000, -0.0011146100000000, 0.0011983600000000 ] - [ 0.0000490600000000, 0.0000490600000000, 0.0001246000000000 ] - [ -0.0000490600000000, 0.0000490600000000, 0.0001246000000000 ] - [ 0.0000490600000000, -0.0000490600000000, 0.0001246000000000 ] - [ -0.0000490600000000, -0.0000490600000000, 0.0001246000000000 ] - [ -0.0027801500000000, 0.0000000000000000, 0.0026062700000000 ] - [ 0.0027801500000000, 0.0000000000000000, 0.0026062700000000 ] - [ 0.0000000000000000, -0.0027801500000000, 0.0026062700000000 ] - [ 0.0000000000000000, 0.0027801500000000, 0.0026062700000000 ] - [ 0.0001276500000000, 0.0000000000000000, -0.0004267700000000 ] - [ -0.0001276500000000, 0.0000000000000000, -0.0004267700000000 ] - [ 0.0000000000000000, 0.0001276500000000, -0.0004267700000000 ] - [ 0.0000000000000000, -0.0001276500000000, -0.0004267700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035740300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005127400000000 ] - [ -0.0001714300000000, 0.0000000000000000, 0.0005910000000000 ] - [ 0.0001714300000000, 0.0000000000000000, 0.0005910000000000 ] - [ 0.0000000000000000, -0.0001714300000000, 0.0005910000000000 ] - [ 0.0000000000000000, 0.0001714300000000, 0.0005910000000000 ] - [ 0.0005041500000000, 0.0000000000000000, -0.0007162900000000 ] - [ -0.0005041500000000, 0.0000000000000000, -0.0007162900000000 ] - [ 0.0000000000000000, 0.0005041500000000, -0.0007162900000000 ] - [ 0.0000000000000000, -0.0005041500000000, -0.0007162900000000 ] - [ -0.0009977500000000, -0.0009977500000000, -0.0006749300000000 ] - [ 0.0009977500000000, -0.0009977500000000, -0.0006749300000000 ] - [ -0.0009977500000000, 0.0009977500000000, -0.0006749300000000 ] - [ 0.0009977500000000, 0.0009977500000000, -0.0006749300000000 ] - [ -0.0000950200000000, -0.0000950200000000, -0.0003100100000000 ] - [ 0.0000950200000000, -0.0000950200000000, -0.0003100100000000 ] - [ -0.0000950200000000, 0.0000950200000000, -0.0003100100000000 ] - [ 0.0000950200000000, 0.0000950200000000, -0.0003100100000000 ] - [ -0.0004761800000000, -0.0000281400000000, 0.0000680200000000 ] - [ 0.0004761800000000, -0.0000281400000000, 0.0000680200000000 ] - [ -0.0004761800000000, 0.0000281400000000, 0.0000680200000000 ] - [ 0.0004761800000000, 0.0000281400000000, 0.0000680200000000 ] - [ -0.0000281400000000, -0.0004761800000000, 0.0000680200000000 ] - [ 0.0000281400000000, -0.0004761800000000, 0.0000680200000000 ] - [ -0.0000281400000000, 0.0004761800000000, 0.0000680200000000 ] - [ 0.0000281400000000, 0.0004761800000000, 0.0000680200000000 ] - [ 0.0007735800000000, 0.0001858700000000, -0.0004516600000000 ] - [ -0.0007735800000000, 0.0001858700000000, -0.0004516600000000 ] - [ 0.0007735800000000, -0.0001858700000000, -0.0004516600000000 ] - [ -0.0007735800000000, -0.0001858700000000, -0.0004516600000000 ] - [ 0.0001858700000000, 0.0007735800000000, -0.0004516600000000 ] - [ -0.0001858700000000, 0.0007735800000000, -0.0004516600000000 ] - [ 0.0001858700000000, -0.0007735800000000, -0.0004516600000000 ] - [ -0.0001858700000000, -0.0007735800000000, -0.0004516600000000 ] - [ 0.0008126300000000, 0.0000000000000000, 0.0009611000000000 ] - [ -0.0008126300000000, 0.0000000000000000, 0.0009611000000000 ] - [ 0.0000000000000000, 0.0008126300000000, 0.0009611000000000 ] - [ 0.0000000000000000, -0.0008126300000000, 0.0009611000000000 ] - [ 0.0000698700000000, 0.0000000000000000, 0.0000297400000000 ] - [ -0.0000698700000000, 0.0000000000000000, 0.0000297400000000 ] - [ 0.0000000000000000, 0.0000698700000000, 0.0000297400000000 ] - [ 0.0000000000000000, -0.0000698700000000, 0.0000297400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0148202600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002145800000000 ] - [ -0.0005092600000000, -0.0005092600000000, 0.0008692600000000 ] - [ 0.0005092600000000, -0.0005092600000000, 0.0008692600000000 ] - [ -0.0005092600000000, 0.0005092600000000, 0.0008692600000000 ] - [ 0.0005092600000000, 0.0005092600000000, 0.0008692600000000 ] - [ -0.0005939100000000, -0.0000261200000000, -0.0009007200000000 ] - [ 0.0005939100000000, -0.0000261200000000, -0.0009007200000000 ] - [ -0.0005939100000000, 0.0000261200000000, -0.0009007200000000 ] - [ 0.0005939100000000, 0.0000261200000000, -0.0009007200000000 ] - [ -0.0000261200000000, -0.0005939100000000, -0.0009007200000000 ] - [ 0.0000261200000000, -0.0005939100000000, -0.0009007200000000 ] - [ -0.0000261200000000, 0.0005939100000000, -0.0009007200000000 ] - [ 0.0000261200000000, 0.0005939100000000, -0.0009007200000000 ] - [ 0.0005337800000000, 0.0000000000000000, 0.0004583900000000 ] - [ -0.0005337800000000, 0.0000000000000000, 0.0004583900000000 ] - [ 0.0000000000000000, 0.0005337800000000, 0.0004583900000000 ] - [ 0.0000000000000000, -0.0005337800000000, 0.0004583900000000 ] - [ -0.0002780700000000, 0.0000000000000000, 0.0001983000000000 ] - [ 0.0002780700000000, 0.0000000000000000, 0.0001983000000000 ] - [ 0.0000000000000000, -0.0002780700000000, 0.0001983000000000 ] - [ 0.0000000000000000, 0.0002780700000000, 0.0001983000000000 ] - [ -0.0012155300000000, -0.0012155300000000, -0.0015751300000000 ] - [ 0.0012155300000000, -0.0012155300000000, -0.0015751300000000 ] - [ -0.0012155300000000, 0.0012155300000000, -0.0015751300000000 ] - [ 0.0012155300000000, 0.0012155300000000, -0.0015751300000000 ] - [ 0.0000755300000000, 0.0000755300000000, 0.0002584100000000 ] - [ -0.0000755300000000, 0.0000755300000000, 0.0002584100000000 ] - [ 0.0000755300000000, -0.0000755300000000, 0.0002584100000000 ] - [ -0.0000755300000000, -0.0000755300000000, 0.0002584100000000 ] - [ 0.0026183600000000, 0.0000000000000000, -0.0020317300000000 ] - [ -0.0026183600000000, 0.0000000000000000, -0.0020317300000000 ] - [ 0.0000000000000000, 0.0026183600000000, -0.0020317300000000 ] - [ 0.0000000000000000, -0.0026183600000000, -0.0020317300000000 ] - [ 0.0000297400000000, 0.0000000000000000, -0.0000895000000000 ] - [ -0.0000297400000000, 0.0000000000000000, -0.0000895000000000 ] - [ 0.0000000000000000, 0.0000297400000000, -0.0000895000000000 ] - [ 0.0000000000000000, -0.0000297400000000, -0.0000895000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040585300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004829100000000 ] - [ -0.0009891100000000, 0.0000000000000000, 0.0004705100000000 ] - [ 0.0009891100000000, 0.0000000000000000, 0.0004705100000000 ] - [ 0.0000000000000000, -0.0009891100000000, 0.0004705100000000 ] - [ 0.0000000000000000, 0.0009891100000000, 0.0004705100000000 ] - [ 0.0006605600000000, 0.0000000000000000, -0.0003436600000000 ] - [ -0.0006605600000000, 0.0000000000000000, -0.0003436600000000 ] - [ 0.0000000000000000, 0.0006605600000000, -0.0003436600000000 ] - [ 0.0000000000000000, -0.0006605600000000, -0.0003436600000000 ] - [ 0.0008372800000000, 0.0008372800000000, 0.0006952100000000 ] - [ -0.0008372800000000, 0.0008372800000000, 0.0006952100000000 ] - [ 0.0008372800000000, -0.0008372800000000, 0.0006952100000000 ] - [ -0.0008372800000000, -0.0008372800000000, 0.0006952100000000 ] - [ 0.0002401100000000, 0.0002401100000000, 0.0002891900000000 ] - [ -0.0002401100000000, 0.0002401100000000, 0.0002891900000000 ] - [ 0.0002401100000000, -0.0002401100000000, 0.0002891900000000 ] - [ -0.0002401100000000, -0.0002401100000000, 0.0002891900000000 ] - [ -0.0002320000000000, 0.0000864400000000, -0.0002934400000000 ] - [ 0.0002320000000000, 0.0000864400000000, -0.0002934400000000 ] - [ -0.0002320000000000, -0.0000864400000000, -0.0002934400000000 ] - [ 0.0002320000000000, -0.0000864400000000, -0.0002934400000000 ] - [ 0.0000864400000000, -0.0002320000000000, -0.0002934400000000 ] - [ -0.0000864400000000, -0.0002320000000000, -0.0002934400000000 ] - [ 0.0000864400000000, 0.0002320000000000, -0.0002934400000000 ] - [ -0.0000864400000000, 0.0002320000000000, -0.0002934400000000 ] - [ -0.0000507900000000, -0.0002421000000000, 0.0006600900000000 ] - [ 0.0000507900000000, -0.0002421000000000, 0.0006600900000000 ] - [ -0.0000507900000000, 0.0002421000000000, 0.0006600900000000 ] - [ 0.0000507900000000, 0.0002421000000000, 0.0006600900000000 ] - [ -0.0002421000000000, -0.0000507900000000, 0.0006600900000000 ] - [ 0.0002421000000000, -0.0000507900000000, 0.0006600900000000 ] - [ -0.0002421000000000, 0.0000507900000000, 0.0006600900000000 ] - [ 0.0002421000000000, 0.0000507900000000, 0.0006600900000000 ] - [ -0.0009401700000000, 0.0000000000000000, -0.0007475600000000 ] - [ 0.0009401700000000, 0.0000000000000000, -0.0007475600000000 ] - [ 0.0000000000000000, -0.0009401700000000, -0.0007475600000000 ] - [ 0.0000000000000000, 0.0009401700000000, -0.0007475600000000 ] - [ 0.0000650000000000, 0.0000000000000000, -0.0002483800000000 ] - [ -0.0000650000000000, 0.0000000000000000, -0.0002483800000000 ] - [ 0.0000000000000000, 0.0000650000000000, -0.0002483800000000 ] - [ 0.0000000000000000, -0.0000650000000000, -0.0002483800000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011581500000000, 0.0038636500000000, 0.0002916100000000 ] - [ 0.0011679800000000, 0.0038342200000000, 0.0007345700000000 ] - [ -0.0618349200000000, 0.0275794900000000, 0.0344993700000000 ] - [ 0.0129845300000000, 0.0002206600000000, 0.0025775600000000 ] - [ -0.0014076200000000, -0.0002205100000000, -0.0001835500000000 ] - [ 0.0013063100000000, -0.0001382200000000, 0.0000397800000000 ] - [ 0.0017969700000000, -0.0012739600000000, -0.0002885400000000 ] - [ -0.0016047800000000, -0.0020769000000000, -0.0001828400000000 ] - [ 0.0090364800000000, -0.0015153800000000, -0.0033971400000000 ] - [ -0.0119797200000000, -0.0044846300000000, -0.0044433500000000 ] - [ 0.0014200900000000, -0.0009234700000000, -0.0002851800000000 ] - [ -0.0012593000000000, -0.0017035600000000, -0.0001988600000000 ] - [ 0.0086774700000000, -0.0018977200000000, -0.0034136000000000 ] - [ -0.0117276100000000, -0.0048495900000000, -0.0044890900000000 ] - [ -0.0015937300000000, -0.0009173200000000, -0.0000710100000000 ] - [ 0.0007513700000000, -0.0002770300000000, 0.0001618900000000 ] - [ 0.0020803100000000, -0.0011542100000000, 0.0037263000000000 ] - [ 0.0000170000000000, -0.0002938700000000, -0.0002310200000000 ] - [ -0.0019888500000000, -0.0009096100000000, 0.0003282300000000 ] - [ 0.0011326000000000, -0.0002805000000000, 0.0005452300000000 ] - [ 0.0020658400000000, -0.0015223000000000, 0.0040736600000000 ] - [ 0.0000207500000000, 0.0000863400000000, 0.0001537900000000 ] - [ 0.0007621900000000, 0.0004850500000000, -0.0003538700000000 ] - [ -0.0007567500000000, 0.0004671700000000, -0.0002973700000000 ] - [ 0.0006596900000000, 0.0004032900000000, -0.0000109400000000 ] - [ 0.0003088000000000, 0.0012338700000000, 0.0011660300000000 ] - [ 0.0008839000000000, 0.0006033600000000, 0.0000298100000000 ] - [ -0.0008667500000000, 0.0005823000000000, 0.0000890300000000 ] - [ 0.0007844400000000, 0.0002746500000000, 0.0003703600000000 ] - [ 0.0002115300000000, 0.0011163700000000, 0.0015366700000000 ] - [ 0.0012786200000000, -0.0008336200000000, -0.0015488000000000 ] - [ -0.0047786200000000, -0.0050983800000000, -0.0054297900000000 ] - [ 0.0001091700000000, -0.0000034000000000, 0.0000281400000000 ] - [ 0.0260281600000000, -0.0042393400000000, -0.0127827400000000 ] - [ 0.0014346100000000, -0.0008586700000000, -0.0020584900000000 ] - [ -0.0049497300000000, -0.0049833000000000, -0.0059740800000000 ] - [ 0.0001343800000000, 0.0001534400000000, -0.0004859000000000 ] - [ 0.0258586000000000, -0.0043319800000000, -0.0130777900000000 ] - [ -0.0003512000000000, -0.0012010800000000, -0.0002978200000000 ] - [ -0.0003674900000000, -0.0011974000000000, 0.0006926000000000 ] - [ 0.0019637300000000, 0.0024943000000000, 0.0011612900000000 ] - [ -0.0012952800000000, 0.0016751600000000, 0.0008756500000000 ] - [ -0.0018377700000000, 0.0006939400000000, 0.0001749800000000 ] - [ -0.0001251800000000, 0.0011171600000000, 0.0005746800000000 ] - [ 0.0031504300000000, 0.0024996400000000, 0.0001081700000000 ] - [ -0.0024617200000000, 0.0016916900000000, -0.0001810800000000 ] - [ -0.0018608200000000, 0.0018529000000000, -0.0008714300000000 ] - [ -0.0001427800000000, -0.0000498500000000, -0.0004859900000000 ] - [ -0.0014235600000000, -0.0001218900000000, 0.0000076500000000 ] - [ 0.0014852100000000, 0.0001409600000000, -0.0000950000000000 ] - [ -0.0045559800000000, -0.0006028000000000, 0.0001845200000000 ] - [ 0.0094311700000000, -0.0007747300000000, -0.0026184300000000 ] - [ -0.0012770200000000, 0.0000325800000000, -0.0000073100000000 ] - [ 0.0013261100000000, 0.0002942100000000, -0.0001146000000000 ] - [ -0.0044073700000000, -0.0007446500000000, 0.0001717000000000 ] - [ 0.0092242000000000, -0.0009326500000000, -0.0026797800000000 ] - [ -0.0007897000000000, 0.0001562400000000, -0.0001121400000000 ] - [ 0.0006759900000000, 0.0003197100000000, -0.0001524200000000 ] - [ -0.0130990700000000, 0.0030732900000000, 0.0060498500000000 ] - [ 0.0154454100000000, -0.0033756000000000, -0.0129926600000000 ] - [ -0.0004436300000000, -0.0003482100000000, 0.0005733300000000 ] - [ 0.0002025300000000, 0.0006876400000000, 0.0016771500000000 ] - [ -0.0023546200000000, 0.0011837500000000, 0.0004651900000000 ] - [ 0.0060977700000000, -0.0013582200000000, 0.0048981900000000 ] - [ -0.0000607700000000, 0.0001043500000000, 0.0001089400000000 ] - [ -0.0000217600000000, 0.0002616600000000, 0.0000768000000000 ] - [ -0.0123960400000000, 0.0031405900000000, 0.0063111600000000 ] - [ 0.0153576300000000, -0.0034785100000000, -0.0134067800000000 ] - [ -0.0005039600000000, 0.0003488000000000, 0.0008051800000000 ] - [ 0.0002434800000000, 0.0014517600000000, 0.0018763600000000 ] - [ -0.0024084500000000, 0.0004555900000000, 0.0006912800000000 ] - [ 0.0062170100000000, -0.0021312600000000, 0.0051908700000000 ] - [ -0.0021553900000000, -0.0002468500000000, 0.0007642100000000 ] - [ 0.0061729400000000, -0.0010597300000000, 0.0023307900000000 ] - [ -0.0000217900000000, -0.0003267000000000, 0.0002969300000000 ] - [ -0.0119231200000000, -0.0000703200000000, 0.0021765900000000 ] - [ -0.0020181500000000, -0.0002356800000000, 0.0005364500000000 ] - [ 0.0060095400000000, -0.0011186600000000, 0.0021001700000000 ] - [ -0.0000319500000000, -0.0001908100000000, 0.0000710400000000 ] - [ -0.0119901400000000, -0.0002267100000000, 0.0019156300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000422200000000, -0.0000422200000000, -0.0010982000000000 ] - [ -0.0000337600000000, -0.0000337600000000, -0.0006397000000000 ] - [ 0.0344933100000000, 0.0344933100000000, -0.0775048500000000 ] - [ -0.0025780600000000, -0.0001835100000000, -0.0015648100000000 ] - [ -0.0001835100000000, -0.0025780600000000, -0.0015648100000000 ] - [ -0.0000398600000000, -0.0000398600000000, -0.0001243000000000 ] - [ 0.0004601900000000, 0.0000971900000000, 0.0003540400000000 ] - [ 0.0003748300000000, -0.0004478700000000, 0.0026632900000000 ] - [ -0.0000956400000000, 0.0007338700000000, 0.0026559700000000 ] - [ -0.0016593400000000, -0.0011611000000000, 0.0259621400000000 ] - [ 0.0000971900000000, 0.0004601900000000, 0.0003540400000000 ] - [ 0.0007338700000000, -0.0000956400000000, 0.0026559700000000 ] - [ -0.0004478700000000, 0.0003748300000000, 0.0026632900000000 ] - [ -0.0011611000000000, -0.0016593400000000, 0.0259621400000000 ] - [ 0.0004021700000000, 0.0023816900000000, -0.0013835300000000 ] - [ -0.0003999800000000, 0.0001794000000000, -0.0002746900000000 ] - [ 0.0023816900000000, 0.0004021700000000, -0.0013835300000000 ] - [ 0.0001794000000000, -0.0003999800000000, -0.0002746900000000 ] - [ 0.0000271700000000, 0.0023723000000000, -0.0009930500000000 ] - [ -0.0000264800000000, 0.0001803300000000, 0.0000940500000000 ] - [ 0.0023723000000000, 0.0000271700000000, -0.0009930500000000 ] - [ 0.0001803300000000, -0.0000264800000000, 0.0000940500000000 ] - [ 0.0000398800000000, 0.0000398800000000, -0.0003304400000000 ] - [ 0.0000264200000000, 0.0000733000000000, -0.0001734500000000 ] - [ 0.0000733000000000, 0.0000264200000000, -0.0001734500000000 ] - [ 0.0024714000000000, 0.0024714000000000, 0.0003872500000000 ] - [ 0.0001369400000000, 0.0001369400000000, 0.0000600100000000 ] - [ -0.0000720800000000, 0.0001707200000000, 0.0002163400000000 ] - [ 0.0001707200000000, -0.0000720800000000, 0.0002163400000000 ] - [ 0.0023366700000000, 0.0023366700000000, 0.0007643200000000 ] - [ -0.0000541200000000, -0.0002111000000000, 0.0001843600000000 ] - [ -0.0044442700000000, -0.0186807500000000, -0.0103539600000000 ] - [ -0.0002111000000000, -0.0000541200000000, 0.0001843600000000 ] - [ -0.0186807500000000, -0.0044442700000000, -0.0103539600000000 ] - [ 0.0001138300000000, -0.0002066600000000, -0.0003320500000000 ] - [ -0.0046548100000000, -0.0186774400000000, -0.0109875700000000 ] - [ -0.0002066600000000, 0.0001138300000000, -0.0003320500000000 ] - [ -0.0186774400000000, -0.0046548100000000, -0.0109875700000000 ] - [ -0.0009061900000000, -0.0009061900000000, -0.0013312100000000 ] - [ -0.0008905900000000, -0.0008905900000000, -0.0003200500000000 ] - [ -0.0003677100000000, -0.0028294600000000, -0.0014986100000000 ] - [ 0.0007132900000000, -0.0004311600000000, 0.0001205500000000 ] - [ -0.0028294600000000, -0.0003677100000000, -0.0014986100000000 ] - [ -0.0004311600000000, 0.0007132900000000, 0.0001205500000000 ] - [ 0.0007557400000000, -0.0028013200000000, -0.0025622700000000 ] - [ -0.0004205000000000, -0.0004315800000000, -0.0009434700000000 ] - [ -0.0028013200000000, 0.0007557400000000, -0.0025622700000000 ] - [ -0.0004315800000000, -0.0004205000000000, -0.0009434700000000 ] - [ -0.0002153100000000, -0.0002153100000000, 0.0000404600000000 ] - [ 0.0000695300000000, 0.0003497000000000, -0.0003884600000000 ] - [ 0.0003497000000000, 0.0000695300000000, -0.0003884600000000 ] - [ -0.0014838800000000, -0.0014838800000000, -0.0112225000000000 ] - [ -0.0000485500000000, -0.0000485500000000, 0.0000177500000000 ] - [ -0.0000951900000000, 0.0005167400000000, -0.0004143300000000 ] - [ 0.0005167400000000, -0.0000951900000000, -0.0004143300000000 ] - [ -0.0016495600000000, -0.0016495600000000, -0.0115046200000000 ] - [ -0.0003136400000000, -0.0000649500000000, -0.0001966900000000 ] - [ 0.0005504900000000, 0.0001151600000000, 0.0000479400000000 ] - [ 0.0063855400000000, 0.0003690200000000, -0.0003083500000000 ] - [ -0.0073476300000000, 0.0051170200000000, 0.0170104100000000 ] - [ -0.0000649500000000, -0.0003136400000000, -0.0001966900000000 ] - [ 0.0003690200000000, 0.0063855400000000, -0.0003083500000000 ] - [ 0.0001151600000000, 0.0005504900000000, 0.0000479400000000 ] - [ 0.0051170200000000, -0.0073476300000000, 0.0170104100000000 ] - [ 0.0004416500000000, -0.0001287700000000, 0.0000026900000000 ] - [ -0.0002001000000000, 0.0000524900000000, 0.0002484100000000 ] - [ 0.0071481300000000, 0.0004197400000000, -0.0001296100000000 ] - [ -0.0075400600000000, 0.0050259300000000, 0.0167288900000000 ] - [ -0.0001287700000000, 0.0004416500000000, 0.0000026900000000 ] - [ 0.0004197400000000, 0.0071481300000000, -0.0001296100000000 ] - [ 0.0000524900000000, -0.0002001000000000, 0.0002484100000000 ] - [ 0.0050259300000000, -0.0075400600000000, 0.0167288900000000 ] - [ 0.0001741700000000, 0.0000603400000000, 0.0003087200000000 ] - [ 0.0015901500000000, 0.0015668100000000, 0.0087387900000000 ] - [ 0.0000603400000000, 0.0001741700000000, 0.0003087200000000 ] - [ 0.0015668100000000, 0.0015901500000000, 0.0087387900000000 ] - [ 0.0003433600000000, 0.0000581000000000, 0.0000526100000000 ] - [ 0.0014335800000000, 0.0015069100000000, 0.0085187800000000 ] - [ 0.0000581000000000, 0.0003433600000000, 0.0000526100000000 ] - [ 0.0015069100000000, 0.0014335800000000, 0.0085187800000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029180000000000, 0.0012906500000000, 0.0005531400000000 ] - [ -0.0011559700000000, 0.0020553800000000, 0.0000708200000000 ] - [ 0.0016048200000000, -0.0011008700000000, 0.0002783500000000 ] - [ -0.0014290800000000, 0.0017138700000000, -0.0005545600000000 ] - [ 0.0088545000000000, 0.0018933500000000, -0.0002723900000000 ] - [ -0.0118172900000000, -0.0046711700000000, 0.0013983600000000 ] - [ -0.2114132700000000, -0.0025163300000000, -0.0143540500000000 ] - [ 0.0319082500000000, -0.0013139100000000, -0.0050110200000000 ] - [ -0.0061242400000000, 0.0013494700000000, 0.0014800800000000 ] - [ 0.0015871600000000, -0.0056260300000000, -0.0005750900000000 ] - [ 0.0069665700000000, -0.0283987200000000, -0.0065840600000000 ] - [ 0.0107431700000000, 0.0006327400000000, -0.0005885200000000 ] - [ -0.0002474200000000, -0.0006254800000000, -0.0004836700000000 ] - [ 0.0028812500000000, 0.0003197700000000, 0.0003504700000000 ] - [ 0.0011901000000000, -0.0000077500000000, -0.0009465300000000 ] - [ -0.0035911400000000, 0.0062749700000000, 0.0017435900000000 ] - [ 0.0002987800000000, 0.0003077400000000, -0.0001907900000000 ] - [ 0.0022722700000000, -0.0012458900000000, 0.0008076900000000 ] - [ 0.0005166800000000, 0.0003383400000000, 0.0000476300000000 ] - [ -0.0000480800000000, -0.0002256300000000, 0.0001597600000000 ] - [ -0.0004182100000000, -0.0005179800000000, 0.0007202500000000 ] - [ 0.0023438400000000, 0.0045000000000000, 0.0104600900000000 ] - [ 0.0133520900000000, 0.0045787300000000, 0.0020511600000000 ] - [ 0.0027262100000000, -0.0014352300000000, 0.0002343200000000 ] - [ -0.0003980000000000, 0.0013082100000000, 0.0000308800000000 ] - [ 0.0025830400000000, 0.0017170500000000, 0.0006002200000000 ] - [ -0.0051471100000000, 0.0062774300000000, 0.0033277000000000 ] - [ 0.0000471500000000, 0.0033031800000000, -0.0001433200000000 ] - [ -0.0013786400000000, 0.0005221200000000, 0.0004970100000000 ] - [ 0.0002147200000000, 0.0001622100000000, 0.0002195000000000 ] - [ 0.0036533100000000, 0.0137054900000000, -0.0034073300000000 ] - [ 0.0024433200000000, -0.0069586900000000, 0.0039986200000000 ] - [ 0.0095394200000000, -0.0002463100000000, 0.0010239000000000 ] - [ 0.0025790600000000, 0.0005842900000000, 0.0006812200000000 ] - [ -0.0017228900000000, -0.0036825400000000, 0.0025058900000000 ] - [ 0.0007066700000000, 0.0012926000000000, 0.0010213400000000 ] - [ 0.0094799700000000, 0.0046819000000000, -0.0121703400000000 ] - [ -0.0035900200000000, -0.0002056800000000, -0.0001710000000000 ] - [ -0.0054799600000000, -0.0036131800000000, -0.0000293700000000 ] - [ 0.0023598500000000, -0.0011106600000000, -0.0001115600000000 ] - [ -0.0051074200000000, 0.0048859100000000, 0.0024076200000000 ] - [ 0.0202460800000000, -0.0022764000000000, 0.0024509500000000 ] - [ -0.0013718000000000, -0.0006012500000000, 0.0005438500000000 ] - [ -0.0076841800000000, 0.0043106200000000, 0.0006756000000000 ] - [ -0.0016012500000000, -0.0005713200000000, -0.0003761700000000 ] - [ -0.0000208600000000, 0.0013802000000000, -0.0001605900000000 ] - [ 0.0025196300000000, 0.0026753800000000, -0.0005151800000000 ] - [ 0.0687262800000000, 0.0011965900000000, 0.0230028000000000 ] - [ 0.0348248700000000, 0.0046949500000000, 0.0053905900000000 ] - [ -0.0062061500000000, 0.0000935300000000, 0.0001113600000000 ] - [ 0.0011808800000000, -0.0004952800000000, -0.0000644800000000 ] - [ -0.0031950400000000, 0.0000751400000000, -0.0002434100000000 ] - [ 0.0279094700000000, -0.0073925100000000, -0.0020563000000000 ] - [ -0.0083241800000000, -0.0052802000000000, 0.0001220100000000 ] - [ 0.0023899200000000, -0.0007201900000000, -0.0002118700000000 ] - [ -0.0010017800000000, 0.0001348400000000, 0.0002014100000000 ] - [ 0.0186356900000000, 0.0030425500000000, -0.0036001500000000 ] - [ -0.0054168500000000, -0.0005834700000000, 0.0038797800000000 ] - [ 0.0022897800000000, -0.0011054700000000, -0.0006622900000000 ] - [ 0.0018405600000000, 0.0011395700000000, 0.0006885300000000 ] - [ 0.0027858500000000, 0.0053838800000000, -0.0030802100000000 ] - [ -0.0022151500000000, -0.0011705600000000, -0.0003757900000000 ] - [ 0.0001021000000000, 0.0021012400000000, -0.0001441000000000 ] - [ -0.0007918700000000, -0.0007481500000000, -0.0010400400000000 ] - [ -0.0045046500000000, 0.0016160200000000, 0.0045976500000000 ] - [ -0.0076723300000000, 0.0009832700000000, -0.0018502500000000 ] - [ -0.0007942400000000, -0.0000618600000000, 0.0004668700000000 ] - [ -0.0024270900000000, -0.0003616400000000, -0.0004282300000000 ] - [ 0.0183921300000000, 0.0017252800000000, -0.0081030600000000 ] - [ -0.0066666600000000, 0.0049869900000000, -0.0033925900000000 ] - [ 0.0021831900000000, -0.0079601300000000, -0.0025186300000000 ] - [ -0.0004020000000000, 0.0027457000000000, -0.0000271000000000 ] - [ -0.0025820100000000, -0.0038654900000000, 0.0027692900000000 ] - [ -0.0027830900000000, 0.0015385600000000, -0.0019534000000000 ] - [ -0.0038704300000000, -0.0000472500000000, -0.0012472100000000 ] - [ -0.0011383000000000, -0.0005128600000000, -0.0002283700000000 ] - [ 0.0023686400000000, 0.0008680400000000, -0.0017596000000000 ] - [ -0.0011702900000000, -0.0008714500000000, -0.0007403100000000 ] - [ -0.0004385900000000, -0.0061951500000000, -0.0006869800000000 ] - [ 0.0011822100000000, -0.0000650400000000, -0.0005104200000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029101600000000, -0.0012953600000000, -0.0010118700000000 ] - [ 0.0011486000000000, -0.0020565200000000, 0.0003831200000000 ] - [ -0.0016040900000000, 0.0010950200000000, -0.0002790400000000 ] - [ 0.0014312400000000, -0.0017017000000000, 0.0005535900000000 ] - [ -0.0088548300000000, -0.0018866500000000, 0.0002714500000000 ] - [ 0.0118844200000000, 0.0046623900000000, -0.0014217200000000 ] - [ 0.2098627300000000, 0.0007922800000000, 0.0134626400000000 ] - [ -0.0320843400000000, 0.0009490000000000, 0.0050479800000000 ] - [ 0.0064794200000000, -0.0009133900000000, -0.0014860700000000 ] - [ -0.0019767200000000, 0.0059736900000000, 0.0005790900000000 ] - [ -0.0073712000000000, 0.0290067300000000, 0.0065896100000000 ] - [ -0.0103547700000000, -0.0002372700000000, 0.0005852700000000 ] - [ -0.0001240400000000, 0.0002447400000000, 0.0004821700000000 ] - [ -0.0024916700000000, -0.0007037800000000, -0.0003471200000000 ] - [ -0.0008228700000000, 0.0000087700000000, 0.0005646200000000 ] - [ 0.0032809200000000, -0.0062501600000000, -0.0021365200000000 ] - [ -0.0002964400000000, 0.0000568800000000, -0.0001808000000000 ] - [ -0.0022684000000000, 0.0008804100000000, -0.0011753900000000 ] - [ -0.0008807900000000, -0.0003370300000000, 0.0003224300000000 ] - [ 0.0004177100000000, 0.0002217000000000, 0.0002085100000000 ] - [ 0.0004164900000000, 0.0001527200000000, -0.0003463400000000 ] - [ -0.0022352600000000, -0.0040915400000000, -0.0099410000000000 ] - [ -0.0137560200000000, -0.0046634900000000, -0.0025689100000000 ] - [ -0.0026274300000000, 0.0013387800000000, -0.0006211100000000 ] - [ 0.0003171100000000, -0.0012251200000000, -0.0004221600000000 ] - [ -0.0024899500000000, -0.0016290900000000, -0.0009896800000000 ] - [ 0.0052201600000000, -0.0061902500000000, -0.0029769500000000 ] - [ -0.0001437000000000, -0.0031947500000000, 0.0005305700000000 ] - [ 0.0014683500000000, -0.0006162600000000, -0.0001087700000000 ] - [ -0.0003143200000000, -0.0002608700000000, 0.0001661400000000 ] - [ -0.0037922000000000, -0.0136666300000000, 0.0039250100000000 ] - [ -0.0022972200000000, 0.0069550400000000, -0.0035105300000000 ] - [ -0.0095581300000000, 0.0000984700000000, -0.0005194600000000 ] - [ -0.0025595500000000, -0.0004480000000000, -0.0001904400000000 ] - [ 0.0018646200000000, 0.0036854000000000, -0.0030004500000000 ] - [ -0.0008448300000000, -0.0012837300000000, -0.0015119000000000 ] - [ -0.0096532400000000, -0.0045052800000000, 0.0115542500000000 ] - [ 0.0035529700000000, 0.0000675400000000, -0.0003154200000000 ] - [ 0.0055049700000000, 0.0036439600000000, -0.0009723300000000 ] - [ -0.0023471400000000, 0.0011047800000000, 0.0011120500000000 ] - [ 0.0039600500000000, -0.0048642500000000, -0.0013433200000000 ] - [ -0.0191083200000000, 0.0027390800000000, -0.0011699400000000 ] - [ 0.0013596100000000, -0.0005232500000000, 0.0005112800000000 ] - [ 0.0076764400000000, -0.0031872500000000, 0.0003836300000000 ] - [ 0.0027210100000000, 0.0005655100000000, -0.0006771300000000 ] - [ -0.0011191500000000, -0.0013739000000000, -0.0008942700000000 ] - [ -0.0024969000000000, -0.0015432600000000, -0.0005375600000000 ] - [ -0.0638557700000000, -0.0021737900000000, -0.0220117500000000 ] - [ -0.0380840200000000, -0.0042616100000000, -0.0066127100000000 ] - [ 0.0063657700000000, -0.0002682600000000, -0.0000768700000000 ] - [ -0.0013736800000000, 0.0006565000000000, 0.0001010600000000 ] - [ 0.0033627400000000, 0.0001111600000000, 0.0002795100000000 ] - [ -0.0277082700000000, 0.0073825000000000, 0.0019996700000000 ] - [ 0.0081408000000000, 0.0054446000000000, -0.0001616900000000 ] - [ -0.0022093900000000, 0.0005447700000000, 0.0001751800000000 ] - [ 0.0008350500000000, -0.0002999600000000, -0.0002372500000000 ] - [ -0.0192877600000000, -0.0029155100000000, 0.0032591100000000 ] - [ 0.0062309400000000, 0.0006312600000000, -0.0040421300000000 ] - [ -0.0030199900000000, 0.0010168400000000, 0.0004392400000000 ] - [ -0.0010630500000000, -0.0012006700000000, -0.0008951900000000 ] - [ -0.0027292300000000, -0.0061610500000000, 0.0028763300000000 ] - [ 0.0021432900000000, 0.0004047200000000, 0.0001656300000000 ] - [ -0.0000330300000000, -0.0013458600000000, -0.0000675500000000 ] - [ 0.0007186600000000, 0.0015025400000000, 0.0008251100000000 ] - [ 0.0052728800000000, -0.0017034700000000, -0.0044149800000000 ] - [ 0.0069092800000000, -0.0010537000000000, 0.0020630300000000 ] - [ 0.0015357000000000, 0.0001357800000000, -0.0002490900000000 ] - [ 0.0016586100000000, 0.0004327100000000, 0.0006385400000000 ] - [ -0.0184197200000000, -0.0010399200000000, 0.0084745500000000 ] - [ 0.0067448700000000, -0.0042405100000000, 0.0036054300000000 ] - [ -0.0022463400000000, 0.0071691100000000, 0.0027419000000000 ] - [ 0.0004715200000000, -0.0034964800000000, 0.0002388700000000 ] - [ 0.0023559900000000, 0.0038319200000000, -0.0024429600000000 ] - [ 0.0029688700000000, -0.0015369900000000, 0.0022482900000000 ] - [ 0.0038663900000000, -0.0001392400000000, 0.0015244400000000 ] - [ 0.0011297000000000, 0.0007052300000000, 0.0005097500000000 ] - [ -0.0021783600000000, -0.0008657800000000, 0.0014814900000000 ] - [ 0.0009787900000000, 0.0008689900000000, 0.0004562400000000 ] - [ 0.0005068800000000, 0.0063961300000000, 0.0003084000000000 ] - [ -0.0011712700000000, -0.0001260400000000, 0.0002232100000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012109400000000, 0.0003878900000000, 0.0006810500000000 ] - [ 0.0003869700000000, -0.0012014500000000, 0.0011281600000000 ] - [ -0.0002875400000000, -0.0002862800000000, 0.0003540100000000 ] - [ 0.0001905300000000, -0.0034165900000000, 0.0026678300000000 ] - [ -0.0033937300000000, 0.0001911100000000, 0.0026499800000000 ] - [ 0.0044061500000000, 0.0045259100000000, 0.0259617900000000 ] - [ -0.0137131900000000, -0.0139748200000000, -0.1930803000000000 ] - [ 0.0048274500000000, 0.0012953700000000, -0.0106975200000000 ] - [ 0.0016717800000000, 0.0052317800000000, -0.0107686600000000 ] - [ 0.0003941200000000, 0.0007602000000000, -0.0010084900000000 ] - [ -0.0067280700000000, -0.0064462100000000, -0.0101514300000000 ] - [ 0.0007717800000000, -0.0002993000000000, -0.0014742200000000 ] - [ -0.0006663100000000, 0.0004008700000000, -0.0014745300000000 ] - [ -0.0001671000000000, -0.0005314700000000, -0.0006394000000000 ] - [ -0.0004809100000000, 0.0007487800000000, -0.0000278700000000 ] - [ 0.0043286700000000, 0.0135642300000000, 0.0112934900000000 ] - [ -0.0000013900000000, 0.0000746900000000, 0.0000417900000000 ] - [ 0.0005913300000000, -0.0003686400000000, 0.0006748600000000 ] - [ -0.0003100000000000, -0.0000012900000000, 0.0004308500000000 ] - [ 0.0000183400000000, 0.0005851700000000, 0.0010560800000000 ] - [ 0.0007533400000000, -0.0008694300000000, 0.0003617500000000 ] - [ 0.0137167600000000, 0.0047952400000000, 0.0117123700000000 ] - [ 0.0010318600000000, 0.0032285800000000, -0.0013241700000000 ] - [ 0.0000613400000000, 0.0003403700000000, -0.0001333600000000 ] - [ 0.0000974400000000, 0.0004785700000000, -0.0002944800000000 ] - [ 0.0001767800000000, 0.0002766200000000, 0.0000048400000000 ] - [ 0.0033537000000000, 0.0011494400000000, -0.0009348500000000 ] - [ 0.0003434200000000, 0.0002267100000000, 0.0000878700000000 ] - [ 0.0004744200000000, -0.0000728400000000, 0.0002486300000000 ] - [ 0.0001423400000000, 0.0000425300000000, 0.0003850700000000 ] - [ -0.0116462700000000, -0.0380658300000000, 0.0254007200000000 ] - [ 0.0005470200000000, -0.0005862100000000, 0.0013941200000000 ] - [ -0.0028802600000000, -0.0004449700000000, 0.0012705000000000 ] - [ -0.0015282400000000, -0.0000152300000000, 0.0000338900000000 ] - [ -0.0002895100000000, -0.0028697300000000, 0.0007603000000000 ] - [ -0.0001682800000000, -0.0015226000000000, -0.0004718200000000 ] - [ -0.0379687400000000, -0.0113895200000000, 0.0246122700000000 ] - [ -0.0005946000000000, 0.0003919400000000, 0.0008954600000000 ] - [ -0.0008642200000000, -0.0016373700000000, 0.0004992200000000 ] - [ -0.0016316600000000, -0.0008580900000000, 0.0014741000000000 ] - [ -0.0002786500000000, -0.0008644500000000, 0.0026056700000000 ] - [ 0.0019511100000000, 0.0104815200000000, 0.0262636100000000 ] - [ 0.0001828400000000, -0.0006148700000000, 0.0007312400000000 ] - [ -0.0019232300000000, 0.0023497100000000, 0.0008204700000000 ] - [ 0.0005468400000000, 0.0001850900000000, -0.0003337800000000 ] - [ 0.0011759200000000, -0.0019023300000000, -0.0002446700000000 ] - [ -0.0008708500000000, 0.0008811900000000, 0.0015517700000000 ] - [ 0.0108841900000000, 0.0007456500000000, 0.0251188400000000 ] - [ 0.0102247900000000, 0.0003023100000000, 0.0198831300000000 ] - [ 0.0008047100000000, -0.0004164500000000, 0.0008396800000000 ] - [ -0.0014152100000000, -0.0019124300000000, 0.0004520600000000 ] - [ 0.0001015400000000, -0.0002334400000000, -0.0000022400000000 ] - [ 0.0003625600000000, 0.0107208100000000, 0.0199708600000000 ] - [ -0.0020363600000000, -0.0012646800000000, 0.0004354200000000 ] - [ -0.0002777400000000, 0.0006731700000000, 0.0008334100000000 ] - [ -0.0003712300000000, -0.0000359600000000, -0.0000145500000000 ] - [ 0.0011257100000000, -0.0064558900000000, 0.0291202700000000 ] - [ 0.0156211100000000, -0.0003873100000000, 0.0032813500000000 ] - [ 0.0001532000000000, -0.0017320100000000, -0.0014206100000000 ] - [ 0.0002973200000000, -0.0003486600000000, -0.0001589500000000 ] - [ 0.0002364700000000, 0.0020464700000000, -0.0008009500000000 ] - [ 0.0001762100000000, 0.0006090500000000, -0.0001810900000000 ] - [ 0.0002301900000000, 0.0018309100000000, -0.0000335500000000 ] - [ 0.0000901400000000, 0.0012327800000000, 0.0002937400000000 ] - [ 0.0027563800000000, 0.0001568500000000, -0.0005424300000000 ] - [ 0.0011312100000000, 0.0001629000000000, 0.0002145400000000 ] - [ 0.0013145100000000, 0.0002489400000000, 0.0000619600000000 ] - [ 0.0005344100000000, 0.0001582500000000, 0.0005382500000000 ] - [ -0.0076136700000000, 0.0005535300000000, 0.0320837600000000 ] - [ -0.0016474400000000, 0.0008455500000000, -0.0011665900000000 ] - [ -0.0004627900000000, 0.0150398000000000, 0.0035404200000000 ] - [ -0.0002809300000000, -0.0004064100000000, 0.0000839000000000 ] - [ 0.0053136300000000, 0.0068180600000000, -0.0211330700000000 ] - [ 0.0002941900000000, -0.0001629600000000, -0.0009206500000000 ] - [ 0.0006291300000000, -0.0005415600000000, -0.0012030300000000 ] - [ 0.0006401300000000, 0.0005191800000000, -0.0000161600000000 ] - [ -0.0003983800000000, 0.0006261800000000, -0.0014154200000000 ] - [ 0.0003748400000000, 0.0006374800000000, -0.0002325100000000 ] - [ 0.0068306800000000, 0.0054625500000000, -0.0213593800000000 ] - [ -0.0001620400000000, 0.0001533100000000, -0.0011446100000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015752100000000, 0.0000000000000000, -0.0005723800000000 ] - [ -0.0000674500000000, 0.0000000000000000, 0.0003134300000000 ] - [ -0.0017926200000000, -0.0013377400000000, 0.0002186800000000 ] - [ 0.0009405100000000, 0.0001020800000000, 0.0002125400000000 ] - [ -0.0017926200000000, 0.0013377400000000, 0.0002186800000000 ] - [ 0.0009405100000000, -0.0001020800000000, 0.0002125400000000 ] - [ 0.0011976400000000, -0.0005190000000000, -0.0006706100000000 ] - [ -0.0036007100000000, -0.0045443700000000, -0.0045910900000000 ] - [ 0.0011976400000000, 0.0005190000000000, -0.0006706100000000 ] - [ -0.0036007100000000, 0.0045443700000000, -0.0045910900000000 ] - [ 0.0005093600000000, 0.0003150100000000, -0.0001174600000000 ] - [ -0.0000438600000000, 0.0012495100000000, 0.0001735000000000 ] - [ 0.0005093600000000, -0.0003150100000000, -0.0001174600000000 ] - [ -0.0000438600000000, -0.0012495100000000, 0.0001735000000000 ] - [ -0.0911051400000000, 0.0000000000000000, 0.1491434400000000 ] - [ 0.0002704300000000, 0.0000000000000000, -0.0000872800000000 ] - [ 0.0000993800000000, 0.0000529800000000, -0.0001436300000000 ] - [ 0.0000993800000000, -0.0000529800000000, -0.0001436300000000 ] - [ -0.0002528600000000, 0.0000000000000000, 0.0002097500000000 ] - [ 0.0002744200000000, 0.0000000000000000, 0.0002290700000000 ] - [ -0.0000542800000000, -0.0000887200000000, 0.0004926300000000 ] - [ -0.0000542800000000, 0.0000887200000000, 0.0004926300000000 ] - [ 0.0003976000000000, 0.0002938300000000, -0.0002971900000000 ] - [ 0.0010639100000000, 0.0008246900000000, 0.0008195300000000 ] - [ 0.0003976000000000, -0.0002938300000000, -0.0002971900000000 ] - [ 0.0010639100000000, -0.0008246900000000, 0.0008195300000000 ] - [ 0.0000838400000000, -0.0000025400000000, 0.0001832800000000 ] - [ -0.0001918100000000, 0.0000378100000000, 0.0000953600000000 ] - [ 0.0000838400000000, 0.0000025400000000, 0.0001832800000000 ] - [ -0.0001918100000000, -0.0000378100000000, 0.0000953600000000 ] - [ 0.0002967500000000, 0.0000000000000000, 0.0000318200000000 ] - [ -0.0090591500000000, 0.0000000000000000, -0.0096057000000000 ] - [ 0.0005357700000000, 0.0002494700000000, -0.0002918500000000 ] - [ 0.0005357700000000, -0.0002494700000000, -0.0002918500000000 ] - [ 0.0001997500000000, 0.0000000000000000, -0.0004420200000000 ] - [ -0.0002579600000000, 0.0000000000000000, -0.0005066900000000 ] - [ 0.0028688400000000, -0.0010406800000000, 0.0014981700000000 ] - [ 0.0028688400000000, 0.0010406800000000, 0.0014981700000000 ] - [ -0.0008886700000000, 0.0000000000000000, -0.0008222900000000 ] - [ 0.0001048100000000, 0.0000000000000000, 0.0006097300000000 ] - [ 0.0889039300000000, 0.0000000000000000, -0.1536100100000000 ] - [ -0.0002647800000000, 0.0000000000000000, 0.0009431100000000 ] - [ -0.0003335700000000, -0.0003370000000000, 0.0005222900000000 ] - [ -0.0003335700000000, 0.0003370000000000, 0.0005222900000000 ] - [ 0.0006843800000000, 0.0000000000000000, -0.0005295900000000 ] - [ -0.0007750600000000, 0.0000000000000000, -0.0005184100000000 ] - [ 0.0002894500000000, 0.0008209200000000, -0.0005327600000000 ] - [ 0.0002894500000000, -0.0008209200000000, -0.0005327600000000 ] - [ -0.0008145200000000, -0.0002181500000000, 0.0001045500000000 ] - [ 0.0010954700000000, -0.0013110000000000, -0.0009759900000000 ] - [ -0.0008145200000000, 0.0002181500000000, 0.0001045500000000 ] - [ 0.0010954700000000, 0.0013110000000000, -0.0009759900000000 ] - [ -0.0002521500000000, 0.0001680000000000, -0.0000085700000000 ] - [ 0.0007144200000000, -0.0001293700000000, 0.0000338500000000 ] - [ -0.0002521500000000, -0.0001680000000000, -0.0000085700000000 ] - [ 0.0007144200000000, 0.0001293700000000, 0.0000338500000000 ] - [ -0.0013963200000000, 0.0001207700000000, 0.0000493000000000 ] - [ -0.0009271700000000, 0.0029665700000000, -0.0007840800000000 ] - [ -0.0013963200000000, -0.0001207700000000, 0.0000493000000000 ] - [ -0.0009271700000000, -0.0029665700000000, -0.0007840800000000 ] - [ -0.0001692900000000, -0.0004453600000000, 0.0000070500000000 ] - [ 0.0001932100000000, -0.0005968100000000, 0.0000397900000000 ] - [ -0.0001692900000000, 0.0004453600000000, 0.0000070500000000 ] - [ 0.0001932100000000, 0.0005968100000000, 0.0000397900000000 ] - [ -0.0001864700000000, -0.0001837000000000, 0.0003493200000000 ] - [ -0.0004940300000000, -0.0002577700000000, 0.0000081000000000 ] - [ -0.0001864700000000, 0.0001837000000000, 0.0003493200000000 ] - [ -0.0004940300000000, 0.0002577700000000, 0.0000081000000000 ] - [ -0.0003041500000000, 0.0003545600000000, 0.0001919300000000 ] - [ 0.0033283400000000, -0.0017535400000000, 0.0067014300000000 ] - [ -0.0003041500000000, -0.0003545600000000, 0.0001919300000000 ] - [ 0.0033283400000000, 0.0017535400000000, 0.0067014300000000 ] - [ -0.0006365900000000, 0.0000000000000000, 0.0002100800000000 ] - [ 0.0067648600000000, 0.0000000000000000, 0.0104146800000000 ] - [ -0.0003700400000000, -0.0005658100000000, 0.0004444200000000 ] - [ -0.0003700400000000, 0.0005658100000000, 0.0004444200000000 ] - [ -0.0001087800000000, 0.0000000000000000, -0.0000925800000000 ] - [ 0.0002013000000000, 0.0000000000000000, -0.0000267200000000 ] - [ -0.0003164400000000, 0.0004948400000000, -0.0013782000000000 ] - [ -0.0003164400000000, -0.0004948400000000, -0.0013782000000000 ]- atom: 15 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015613200000000, 0.0000000000000000, 0.0001120700000000 ] - [ 0.0000680600000000, 0.0000000000000000, 0.0001402800000000 ] - [ 0.0017878700000000, 0.0013399600000000, -0.0002103400000000 ] - [ -0.0009414400000000, -0.0001046400000000, -0.0002139200000000 ] - [ 0.0017878700000000, -0.0013399600000000, -0.0002103400000000 ] - [ -0.0009414400000000, 0.0001046400000000, -0.0002139200000000 ] - [ -0.0008120900000000, 0.0001492500000000, 0.0006798200000000 ] - [ 0.0032686200000000, 0.0040456000000000, 0.0045319500000000 ] - [ -0.0008120900000000, -0.0001492500000000, 0.0006798200000000 ] - [ 0.0032686200000000, -0.0040456000000000, 0.0045319500000000 ] - [ -0.0008902000000000, 0.0000660200000000, 0.0001176800000000 ] - [ 0.0004225100000000, -0.0008755500000000, -0.0001773200000000 ] - [ -0.0008902000000000, -0.0000660200000000, 0.0001176800000000 ] - [ 0.0004225100000000, 0.0008755500000000, -0.0001773200000000 ] - [ 0.0898348900000000, 0.0000000000000000, -0.1538750100000000 ] - [ -0.0006394600000000, 0.0000000000000000, -0.0002837200000000 ] - [ -0.0001003900000000, 0.0003117800000000, -0.0002255500000000 ] - [ -0.0001003900000000, -0.0003117800000000, -0.0002255500000000 ] - [ -0.0001118400000000, 0.0000000000000000, 0.0001593000000000 ] - [ 0.0000909900000000, 0.0000000000000000, 0.0001414200000000 ] - [ 0.0000513900000000, -0.0002775300000000, -0.0001258700000000 ] - [ 0.0000513900000000, 0.0002775300000000, -0.0001258700000000 ] - [ -0.0004918200000000, -0.0003867500000000, -0.0000904100000000 ] - [ -0.0009734400000000, -0.0009072600000000, -0.0011978800000000 ] - [ -0.0004918200000000, 0.0003867500000000, -0.0000904100000000 ] - [ -0.0009734400000000, 0.0009072600000000, -0.0011978800000000 ] - [ 0.0000105400000000, 0.0000960100000000, 0.0002040400000000 ] - [ 0.0000988600000000, 0.0000553700000000, 0.0002921000000000 ] - [ 0.0000105400000000, -0.0000960100000000, 0.0002040400000000 ] - [ 0.0000988600000000, -0.0000553700000000, 0.0002921000000000 ] - [ -0.0004334800000000, 0.0000000000000000, 0.0004526400000000 ] - [ 0.0091209300000000, 0.0000000000000000, 0.0100766500000000 ] - [ -0.0005388000000000, -0.0003846200000000, 0.0007760400000000 ] - [ -0.0005388000000000, 0.0003846200000000, 0.0007760400000000 ] - [ -0.0000625800000000, 0.0000000000000000, -0.0000456400000000 ] - [ 0.0001216600000000, 0.0000000000000000, 0.0000198900000000 ] - [ -0.0028650200000000, 0.0011920000000000, -0.0019900400000000 ] - [ -0.0028650200000000, -0.0011920000000000, -0.0019900400000000 ] - [ 0.0008860500000000, 0.0000000000000000, -0.0001818400000000 ] - [ -0.0001054900000000, 0.0000000000000000, 0.0003893600000000 ] - [ -0.0886319900000000, 0.0000000000000000, 0.1589491100000000 ] - [ 0.0013964500000000, 0.0000000000000000, 0.0001022200000000 ] - [ 0.0003388300000000, -0.0007887000000000, 0.0005314800000000 ] - [ 0.0003388300000000, 0.0007887000000000, 0.0005314800000000 ] - [ 0.0004392800000000, 0.0000000000000000, -0.0005229100000000 ] - [ -0.0003486500000000, 0.0000000000000000, -0.0005359300000000 ] - [ -0.0003151900000000, 0.0002816200000000, -0.0005105800000000 ] - [ -0.0003151900000000, -0.0002816200000000, -0.0005105800000000 ] - [ 0.0006431800000000, 0.0000413800000000, -0.0000700900000000 ] - [ -0.0008842900000000, 0.0011802400000000, 0.0010189900000000 ] - [ 0.0006431800000000, -0.0000413800000000, -0.0000700900000000 ] - [ -0.0008842900000000, -0.0011802400000000, 0.0010189900000000 ] - [ 0.0004244700000000, 0.0000062800000000, -0.0000268500000000 ] - [ -0.0008887400000000, 0.0003058400000000, -0.0000690900000000 ] - [ 0.0004244700000000, -0.0000062800000000, -0.0000268500000000 ] - [ -0.0008887400000000, -0.0003058400000000, -0.0000690900000000 ] - [ 0.0006353100000000, -0.0000558000000000, -0.0002635400000000 ] - [ 0.0016692200000000, -0.0029082200000000, 0.0005615800000000 ] - [ 0.0006353100000000, 0.0000558000000000, -0.0002635400000000 ] - [ 0.0016692200000000, 0.0029082200000000, 0.0005615800000000 ] - [ 0.0002402800000000, -0.0003124100000000, -0.0002220600000000 ] - [ -0.0002645900000000, -0.0001589100000000, -0.0002539400000000 ] - [ 0.0002402800000000, 0.0003124100000000, -0.0002220600000000 ] - [ -0.0002645900000000, 0.0001589100000000, -0.0002539400000000 ] - [ 0.0009437900000000, 0.0001123900000000, -0.0001347000000000 ] - [ -0.0002594800000000, 0.0001864700000000, 0.0002091200000000 ] - [ 0.0009437900000000, -0.0001123900000000, -0.0001347000000000 ] - [ -0.0002594800000000, -0.0001864700000000, 0.0002091200000000 ] - [ 0.0002330100000000, 0.0004003500000000, 0.0000229900000000 ] - [ -0.0032309200000000, 0.0025016000000000, -0.0064531500000000 ] - [ 0.0002330100000000, -0.0004003500000000, 0.0000229900000000 ] - [ -0.0032309200000000, -0.0025016000000000, -0.0064531500000000 ] - [ 0.0004462300000000, 0.0000000000000000, 0.0000795300000000 ] - [ -0.0064065500000000, 0.0000000000000000, -0.0100212400000000 ] - [ 0.0003702300000000, 0.0003697200000000, -0.0001582200000000 ] - [ 0.0003702300000000, -0.0003697200000000, -0.0001582200000000 ] - [ 0.0003005600000000, 0.0000000000000000, -0.0001933500000000 ] - [ -0.0003959500000000, 0.0000000000000000, -0.0002586900000000 ] - [ 0.0003144000000000, -0.0003029300000000, 0.0010956800000000 ] - [ 0.0003144000000000, 0.0003029300000000, 0.0010956800000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000049200000000, -0.0004705900000000, -0.0002236100000000 ] - [ -0.0000002500000000, 0.0004878100000000, 0.0002233200000000 ] - [ -0.0009084000000000, 0.0020728400000000, 0.0023593100000000 ] - [ 0.0002771700000000, 0.0000204700000000, 0.0001786500000000 ] - [ 0.0009186800000000, 0.0020733200000000, -0.0023946100000000 ] - [ -0.0002805000000000, 0.0000171300000000, -0.0001808200000000 ] - [ 0.0001772900000000, -0.0006058600000000, 0.0007538000000000 ] - [ -0.0064617300000000, 0.0021049900000000, 0.0137258800000000 ] - [ 0.0001940000000000, -0.0002293200000000, -0.0007483600000000 ] - [ 0.0060630600000000, 0.0024716900000000, -0.0135546400000000 ] - [ 0.0001550100000000, 0.0004796300000000, -0.0000006000000000 ] - [ 0.0004079500000000, 0.0024600300000000, 0.0005921900000000 ] - [ -0.0005202200000000, 0.0001159800000000, 0.0000020800000000 ] - [ -0.0000392800000000, 0.0020807800000000, -0.0005845400000000 ] - [ -0.0005891000000000, -0.0460590100000000, 0.0013610900000000 ] - [ -0.0001933500000000, -0.0001601600000000, -0.0001960600000000 ] - [ -0.0001614900000000, 0.0002935200000000, -0.0001200500000000 ] - [ 0.0001626200000000, -0.0000941700000000, -0.0002745900000000 ] - [ -0.0001931800000000, 0.0001174700000000, 0.0001957300000000 ] - [ 0.0001933700000000, 0.0000478600000000, 0.0001959100000000 ] - [ 0.0002604900000000, -0.0002449900000000, 0.0007286700000000 ] - [ -0.0002577800000000, 0.0001382100000000, -0.0003406400000000 ] - [ -0.0001117700000000, -0.0002377100000000, -0.0001405700000000 ] - [ 0.0014955800000000, -0.0005621700000000, 0.0005422900000000 ] - [ -0.0000263800000000, -0.0000980700000000, -0.0002393300000000 ] - [ -0.0013573600000000, -0.0004068000000000, -0.0009210300000000 ] - [ 0.0001137800000000, 0.0001748700000000, 0.0001785400000000 ] - [ -0.0001892100000000, 0.0003163500000000, 0.0001263300000000 ] - [ 0.0000238300000000, 0.0000376300000000, 0.0002014500000000 ] - [ 0.0000515800000000, 0.0001777100000000, 0.0002531200000000 ] - [ -0.0000778500000000, -0.0004383500000000, 0.0002544800000000 ] - [ 0.0001003500000000, 0.0015931200000000, 0.0002787800000000 ] - [ 0.0004911100000000, -0.0001045000000000, 0.0001779800000000 ] - [ -0.0004896700000000, 0.0000546800000000, 0.0003354300000000 ] - [ 0.0000776700000000, 0.0006667500000000, -0.0002542600000000 ] - [ -0.0000781700000000, 0.0016707200000000, -0.0002558100000000 ] - [ -0.0039851500000000, 0.0007632200000000, -0.0023249700000000 ] - [ 0.0039407100000000, 0.0006063100000000, 0.0017918200000000 ] - [ 0.0000012400000000, 0.0007955400000000, -0.0005059100000000 ] - [ 0.0000007600000000, -0.0003726900000000, 0.0005050700000000 ] - [ 0.0002269100000000, 0.0355410600000000, -0.0011336000000000 ] - [ 0.0005723100000000, 0.0004754300000000, 0.0005397800000000 ] - [ 0.0005841500000000, -0.0010202600000000, 0.0005345100000000 ] - [ -0.0005888800000000, 0.0001295200000000, 0.0005450900000000 ] - [ 0.0005745200000000, -0.0006002900000000, -0.0005395200000000 ] - [ -0.0005753500000000, -0.0003062400000000, -0.0005401100000000 ] - [ 0.0011010400000000, 0.0019250700000000, -0.0013329800000000 ] - [ -0.0011140600000000, 0.0007949300000000, 0.0002512600000000 ] - [ -0.0000124800000000, 0.0001205200000000, -0.0000808600000000 ] - [ -0.0015434300000000, -0.0025455900000000, -0.0019431200000000 ] - [ -0.0001229300000000, 0.0002528300000000, 0.0000990700000000 ] - [ 0.0016661800000000, -0.0024164300000000, 0.0019438100000000 ] - [ -0.0000123800000000, 0.0000017400000000, -0.0000363200000000 ] - [ 0.0003654100000000, -0.0004167700000000, -0.0003786600000000 ] - [ 0.0001457800000000, -0.0001348000000000, 0.0000184100000000 ] - [ -0.0004971400000000, -0.0005523900000000, 0.0003535500000000 ] - [ 0.0012494200000000, 0.0003303600000000, -0.0004494800000000 ] - [ 0.0034237300000000, -0.0020108900000000, 0.0004938600000000 ] - [ -0.0019444100000000, 0.0002484000000000, 0.0002126800000000 ] - [ -0.0026790000000000, -0.0020849700000000, -0.0007118600000000 ] - [ -0.0000338400000000, -0.0007583200000000, -0.0000026300000000 ] - [ 0.0000850300000000, -0.0016301100000000, 0.0002707000000000 ] - [ 0.0001110000000000, -0.0000454900000000, -0.0002329800000000 ] - [ -0.0001621900000000, -0.0009152800000000, -0.0005017100000000 ] - [ 0.0000368700000000, -0.0001463700000000, 0.0002830800000000 ] - [ -0.0007591300000000, -0.0002068200000000, -0.0001063700000000 ] - [ 0.0006778200000000, -0.0000704200000000, -0.0000510300000000 ] - [ 0.0000429300000000, -0.0001320600000000, 0.0003365500000000 ] - [ -0.0000082300000000, 0.0006261900000000, 0.0001046700000000 ] - [ -0.0000298700000000, 0.0017467800000000, 0.0015685600000000 ] - [ -0.0000697200000000, -0.0000877500000000, 0.0001312700000000 ] - [ 0.0000993300000000, 0.0009795100000000, -0.0013384600000000 ] - [ -0.0000732500000000, 0.0002077500000000, 0.0001098300000000 ] - [ 0.0000772300000000, 0.0025822500000000, 0.0000841800000000 ] - [ -0.0002473000000000, 0.0000074600000000, 0.0002171600000000 ] - [ 0.0002465400000000, 0.0001519000000000, 0.0000036500000000 ] - [ 0.0000741400000000, -0.0002636600000000, -0.0001098700000000 ] - [ -0.0000755900000000, -0.0006143600000000, -0.0001106000000000 ] - [ 0.0006842200000000, -0.0003854100000000, 0.0013715600000000 ] - [ -0.0006758400000000, -0.0005312900000000, -0.0015745400000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016474100000000, 0.0000000000000000, -0.0008732300000000 ] - [ 0.0000534600000000, 0.0000000000000000, 0.0002202000000000 ] - [ 0.0001152400000000, 0.0038681400000000, -0.0011710700000000 ] - [ -0.0003440200000000, -0.0000368800000000, -0.0000888300000000 ] - [ 0.0001152400000000, -0.0038681400000000, -0.0011710700000000 ] - [ -0.0003440200000000, 0.0000368800000000, -0.0000888300000000 ] - [ -0.0005488800000000, 0.0003364900000000, 0.0001628800000000 ] - [ -0.0021970000000000, 0.0099217700000000, 0.0114282800000000 ] - [ -0.0005488800000000, -0.0003364900000000, 0.0001628800000000 ] - [ -0.0021970000000000, -0.0099217700000000, 0.0114282800000000 ] - [ -0.0003213300000000, 0.0001856500000000, 0.0002344300000000 ] - [ 0.0002112100000000, 0.0011828800000000, 0.0008617700000000 ] - [ -0.0003213300000000, -0.0001856500000000, 0.0002344300000000 ] - [ 0.0002112100000000, -0.0011828800000000, 0.0008617700000000 ] - [ 0.1590642800000000, 0.0000000000000000, -0.3400563800000000 ] - [ -0.0002785700000000, 0.0000000000000000, -0.0003832000000000 ] - [ 0.0000774800000000, 0.0002241200000000, -0.0004677400000000 ] - [ 0.0000774800000000, -0.0002241200000000, -0.0004677400000000 ] - [ -0.0001591300000000, 0.0000000000000000, 0.0002202300000000 ] - [ 0.0001418700000000, 0.0000000000000000, 0.0001913700000000 ] - [ 0.0005279700000000, 0.0001230100000000, 0.0003656900000000 ] - [ 0.0005279700000000, -0.0001230100000000, 0.0003656900000000 ] - [ -0.0000732100000000, -0.0000005700000000, -0.0002595100000000 ] - [ 0.0015957700000000, 0.0004276300000000, -0.0000160500000000 ] - [ -0.0000732100000000, 0.0000005700000000, -0.0002595100000000 ] - [ 0.0015957700000000, -0.0004276300000000, -0.0000160500000000 ] - [ 0.0000539700000000, 0.0001076100000000, 0.0001824000000000 ] - [ 0.0000780600000000, 0.0000918900000000, 0.0001210900000000 ] - [ 0.0000539700000000, -0.0001076100000000, 0.0001824000000000 ] - [ 0.0000780600000000, -0.0000918900000000, 0.0001210900000000 ] - [ -0.0001654200000000, 0.0000000000000000, 0.0005886000000000 ] - [ 0.0127100500000000, 0.0000000000000000, 0.0238864300000000 ] - [ -0.0005855200000000, -0.0004164400000000, 0.0008913400000000 ] - [ -0.0005855200000000, 0.0004164400000000, 0.0008913400000000 ] - [ 0.0000622800000000, 0.0000000000000000, -0.0002720200000000 ] - [ -0.0001113700000000, 0.0000000000000000, -0.0004120000000000 ] - [ -0.0004327600000000, 0.0000065900000000, -0.0010801800000000 ] - [ -0.0004327600000000, -0.0000065900000000, -0.0010801800000000 ] - [ -0.0004836300000000, 0.0000000000000000, -0.0007733600000000 ] - [ -0.0000684900000000, 0.0000000000000000, 0.0004852600000000 ] - [ -0.1611831000000000, 0.0000000000000000, 0.3297606800000000 ] - [ 0.0011504400000000, 0.0000000000000000, 0.0005667800000000 ] - [ -0.0003566000000000, -0.0003435000000000, 0.0005283200000000 ] - [ -0.0003566000000000, 0.0003435000000000, 0.0005283200000000 ] - [ 0.0005605800000000, 0.0000000000000000, -0.0006187600000000 ] - [ -0.0005131500000000, 0.0000000000000000, -0.0006019800000000 ] - [ 0.0002490100000000, 0.0016082200000000, -0.0021815400000000 ] - [ 0.0002490100000000, -0.0016082200000000, -0.0021815400000000 ] - [ 0.0000541100000000, -0.0002106700000000, 0.0000405400000000 ] - [ -0.0022980700000000, -0.0038836800000000, -0.0003498400000000 ] - [ 0.0000541100000000, 0.0002106700000000, 0.0000405400000000 ] - [ -0.0022980700000000, 0.0038836800000000, -0.0003498400000000 ] - [ 0.0002578000000000, -0.0000324700000000, -0.0000315800000000 ] - [ -0.0001781000000000, 0.0001579700000000, -0.0006388300000000 ] - [ 0.0002578000000000, 0.0000324700000000, -0.0000315800000000 ] - [ -0.0001781000000000, -0.0001579700000000, -0.0006388300000000 ] - [ -0.0002259000000000, -0.0001462500000000, 0.0000172300000000 ] - [ 0.0010735000000000, -0.0014811300000000, 0.0015726300000000 ] - [ -0.0002259000000000, 0.0001462500000000, 0.0000172300000000 ] - [ 0.0010735000000000, 0.0014811300000000, 0.0015726300000000 ] - [ 0.0000474800000000, -0.0003746200000000, -0.0000893200000000 ] - [ 0.0000879500000000, -0.0004478800000000, 0.0002606900000000 ] - [ 0.0000474800000000, 0.0003746200000000, -0.0000893200000000 ] - [ 0.0000879500000000, 0.0004478800000000, 0.0002606900000000 ] - [ 0.0008509700000000, 0.0000470500000000, -0.0002439800000000 ] - [ -0.0001657600000000, 0.0002199600000000, -0.0002831100000000 ] - [ 0.0008509700000000, -0.0000470500000000, -0.0002439800000000 ] - [ -0.0001657600000000, -0.0002199600000000, -0.0002831100000000 ] - [ 0.0000873900000000, 0.0003924300000000, -0.0000641100000000 ] - [ -0.0035505600000000, 0.0067224200000000, -0.0072170900000000 ] - [ 0.0000873900000000, -0.0003924300000000, -0.0000641100000000 ] - [ -0.0035505600000000, -0.0067224200000000, -0.0072170900000000 ] - [ 0.0002361900000000, 0.0000000000000000, 0.0000413000000000 ] - [ 0.0015689200000000, 0.0000000000000000, -0.0179109300000000 ] - [ 0.0004552300000000, 0.0006017900000000, 0.0000112500000000 ] - [ 0.0004552300000000, -0.0006017900000000, 0.0000112500000000 ] - [ 0.0001015100000000, 0.0000000000000000, -0.0000863900000000 ] - [ -0.0001003000000000, 0.0000000000000000, 0.0000395100000000 ] - [ -0.0000149400000000, 0.0000175200000000, 0.0004981900000000 ] - [ -0.0000149400000000, -0.0000175200000000, 0.0004981900000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016868300000000, 0.0000000000000000, 0.0004389300000000 ] - [ -0.0000553000000000, 0.0000000000000000, 0.0002279500000000 ] - [ -0.0001411000000000, -0.0039334100000000, 0.0012057700000000 ] - [ 0.0003623400000000, 0.0000396300000000, 0.0000922500000000 ] - [ -0.0001411000000000, 0.0039334100000000, 0.0012057700000000 ] - [ 0.0003623400000000, -0.0000396300000000, 0.0000922500000000 ] - [ 0.0009461100000000, -0.0007151500000000, -0.0001705700000000 ] - [ 0.0016982100000000, -0.0104666400000000, -0.0115775500000000 ] - [ 0.0009461100000000, 0.0007151500000000, -0.0001705700000000 ] - [ 0.0016982100000000, 0.0104666400000000, -0.0115775500000000 ] - [ -0.0000305500000000, 0.0001813800000000, -0.0002387900000000 ] - [ 0.0001491000000000, -0.0008143500000000, -0.0008684200000000 ] - [ -0.0000305500000000, -0.0001813800000000, -0.0002387900000000 ] - [ 0.0001491000000000, 0.0008143500000000, -0.0008684200000000 ] - [ -0.1443172700000000, 0.0000000000000000, 0.3186910500000000 ] - [ -0.0000977000000000, 0.0000000000000000, -0.0000017500000000 ] - [ -0.0000766300000000, 0.0001570300000000, 0.0000820900000000 ] - [ -0.0000766300000000, -0.0001570300000000, 0.0000820900000000 ] - [ -0.0002255000000000, 0.0000000000000000, 0.0001685800000000 ] - [ 0.0002431300000000, 0.0000000000000000, 0.0001973400000000 ] - [ -0.0005396100000000, -0.0005109400000000, 0.0000196500000000 ] - [ -0.0005396100000000, 0.0005109400000000, 0.0000196500000000 ] - [ -0.0000468100000000, -0.0001219500000000, -0.0001241200000000 ] - [ -0.0014711500000000, -0.0005499500000000, -0.0003705100000000 ] - [ -0.0000468100000000, 0.0001219500000000, -0.0001241200000000 ] - [ -0.0014711500000000, 0.0005499500000000, -0.0003705100000000 ] - [ 0.0000736100000000, 0.0000170600000000, 0.0002002800000000 ] - [ -0.0002105400000000, 0.0000348000000000, 0.0002611600000000 ] - [ 0.0000736100000000, -0.0000170600000000, 0.0002002800000000 ] - [ -0.0002105400000000, -0.0000348000000000, 0.0002611600000000 ] - [ 0.0000171300000000, 0.0000000000000000, -0.0000842900000000 ] - [ -0.0129012600000000, 0.0000000000000000, -0.0240164400000000 ] - [ 0.0006038900000000, 0.0002703800000000, -0.0003922900000000 ] - [ 0.0006038900000000, -0.0002703800000000, -0.0003922900000000 ] - [ 0.0000952000000000, 0.0000000000000000, -0.0002455400000000 ] - [ -0.0000462600000000, 0.0000000000000000, -0.0001059000000000 ] - [ 0.0004739000000000, 0.0001357400000000, 0.0006017200000000 ] - [ 0.0004739000000000, -0.0001357400000000, 0.0006017200000000 ] - [ 0.0004757700000000, 0.0000000000000000, -0.0002185200000000 ] - [ 0.0000713500000000, 0.0000000000000000, 0.0005131900000000 ] - [ 0.1462051100000000, 0.0000000000000000, -0.3079674900000000 ] - [ -0.0000042500000000, 0.0000000000000000, 0.0004941300000000 ] - [ 0.0003535700000000, -0.0008230000000000, 0.0005305000000000 ] - [ 0.0003535700000000, 0.0008230000000000, 0.0005305000000000 ] - [ 0.0006095900000000, 0.0000000000000000, -0.0004393000000000 ] - [ -0.0006591800000000, 0.0000000000000000, -0.0004556000000000 ] - [ -0.0002538200000000, -0.0004659600000000, 0.0011549600000000 ] - [ -0.0002538200000000, 0.0004659600000000, 0.0011549600000000 ] - [ -0.0002147600000000, 0.0000634400000000, -0.0000194500000000 ] - [ 0.0024634700000000, 0.0037246900000000, 0.0003776800000000 ] - [ -0.0002147600000000, -0.0000634400000000, -0.0000194500000000 ] - [ 0.0024634700000000, -0.0037246900000000, 0.0003776800000000 ] - [ -0.0001203100000000, 0.0001840000000000, 0.0000107800000000 ] - [ 0.0000464100000000, -0.0000158400000000, 0.0006266100000000 ] - [ -0.0001203100000000, -0.0001840000000000, 0.0000107800000000 ] - [ 0.0000464100000000, 0.0000158400000000, 0.0006266100000000 ] - [ -0.0004963100000000, 0.0002085200000000, -0.0002532000000000 ] - [ -0.0003904000000000, 0.0015928800000000, -0.0018380100000000 ] - [ -0.0004963100000000, -0.0002085200000000, -0.0002532000000000 ] - [ -0.0003904000000000, -0.0015928800000000, -0.0018380100000000 ] - [ 0.0000076600000000, -0.0003319200000000, -0.0001450500000000 ] - [ -0.0001438800000000, -0.0002625300000000, -0.0004959400000000 ] - [ 0.0000076600000000, 0.0003319200000000, -0.0001450500000000 ] - [ -0.0001438800000000, 0.0002625300000000, -0.0004959400000000 ] - [ -0.0001608300000000, -0.0001089600000000, 0.0004855500000000 ] - [ -0.0005454800000000, -0.0002858400000000, 0.0005210000000000 ] - [ -0.0001608300000000, 0.0001089600000000, 0.0004855500000000 ] - [ -0.0005454800000000, 0.0002858400000000, 0.0005210000000000 ] - [ -0.0001531200000000, 0.0003131200000000, 0.0003035800000000 ] - [ 0.0037209700000000, -0.0061417500000000, 0.0076566200000000 ] - [ -0.0001531200000000, -0.0003131200000000, 0.0003035800000000 ] - [ 0.0037209700000000, 0.0061417500000000, 0.0076566200000000 ] - [ -0.0003772400000000, 0.0000000000000000, 0.0001784000000000 ] - [ -0.0016142500000000, 0.0000000000000000, 0.0187888500000000 ] - [ -0.0004678200000000, -0.0007474700000000, 0.0002086200000000 ] - [ -0.0004678200000000, 0.0007474700000000, 0.0002086200000000 ] - [ 0.0000218100000000, 0.0000000000000000, -0.0001275100000000 ] - [ -0.0000251900000000, 0.0000000000000000, -0.0002558400000000 ] - [ 0.0000126100000000, 0.0001173000000000, -0.0007350600000000 ] - [ 0.0000126100000000, -0.0001173000000000, -0.0007350600000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009400300000000, 0.0000976000000000, 0.0009373300000000 ] - [ 0.0003840200000000, 0.0001752400000000, 0.0002124000000000 ] - [ 0.0008185000000000, 0.0005382800000000, 0.0000876400000000 ] - [ -0.0008085800000000, -0.0003442000000000, 0.0000224400000000 ] - [ 0.0007223900000000, -0.0005185800000000, 0.0001205000000000 ] - [ 0.0002486000000000, 0.0011721800000000, -0.0023719100000000 ] - [ 0.0138114800000000, 0.0061357400000000, 0.0010892100000000 ] - [ 0.0024649600000000, -0.0007577100000000, 0.0000040900000000 ] - [ -0.0001547000000000, -0.0030565900000000, 0.0001691700000000 ] - [ 0.0023261700000000, 0.0004079500000000, -0.0001072900000000 ] - [ -0.0053697600000000, 0.0046851100000000, 0.0032604800000000 ] - [ 0.0003096700000000, -0.0010609400000000, -0.0004078200000000 ] - [ -0.0016144200000000, 0.0011684700000000, 0.0004056900000000 ] - [ 0.0004604800000000, 0.0014552800000000, -0.0002082100000000 ] - [ 0.0006220500000000, -0.0000414000000000, -0.0002132500000000 ] - [ 0.0008405700000000, -0.0014268100000000, -0.0017435500000000 ] - [ -0.0001669700000000, 0.0005160900000000, -0.0001386300000000 ] - [ -0.0004738300000000, -0.0010481700000000, 0.0002916600000000 ] - [ -0.0001419600000000, 0.0000440700000000, 0.0001888000000000 ] - [ 0.0000341800000000, 0.0001178400000000, 0.0000552000000000 ] - [ 0.0001055400000000, -0.0002286700000000, 0.0002449000000000 ] - [ 0.0002452800000000, 0.0001894100000000, 0.0002287800000000 ] - [ -0.2184595400000000, -0.1886721700000000, 0.0409392600000000 ] - [ 0.0024385100000000, -0.0014703500000000, 0.0001915200000000 ] - [ -0.0027186900000000, 0.0014779000000000, 0.0005163400000000 ] - [ 0.0024227000000000, 0.0020629900000000, 0.0010122800000000 ] - [ 0.0003295100000000, 0.0004411300000000, 0.0002187300000000 ] - [ 0.0002065600000000, -0.0000001500000000, 0.0002742300000000 ] - [ 0.0001538000000000, -0.0000019000000000, 0.0002189900000000 ] - [ 0.0002570700000000, 0.0001553000000000, 0.0003159900000000 ] - [ -0.0008094100000000, -0.0034464700000000, 0.0008844100000000 ] - [ 0.0008198300000000, -0.0004493000000000, 0.0005879900000000 ] - [ -0.0027552600000000, -0.0011220300000000, 0.0004971800000000 ] - [ -0.0011440000000000, 0.0007619900000000, 0.0002727900000000 ] - [ 0.0003538700000000, 0.0021080700000000, -0.0006372900000000 ] - [ 0.0001578400000000, 0.0003307000000000, 0.0000701900000000 ] - [ 0.0023925800000000, 0.0000952700000000, -0.0005046900000000 ] - [ 0.0015527400000000, -0.0000541600000000, -0.0002989100000000 ] - [ -0.0012845600000000, -0.0048474600000000, 0.0002484000000000 ] - [ -0.0005238200000000, -0.0003058800000000, 0.0004845300000000 ] - [ -0.0016946400000000, 0.0002046800000000, 0.0004929000000000 ] - [ -0.0027505700000000, 0.0036664300000000, 0.0007189300000000 ] - [ 0.0006854100000000, -0.0013095600000000, 0.0004483300000000 ] - [ 0.0024609800000000, 0.0013028800000000, 0.0003770300000000 ] - [ 0.0005214400000000, -0.0002239400000000, -0.0005141600000000 ] - [ -0.0000596800000000, -0.0007656600000000, -0.0006890700000000 ] - [ -0.0009999500000000, 0.0009184600000000, -0.0007131300000000 ] - [ -0.0014280900000000, -0.0006657300000000, -0.0006344500000000 ] - [ 0.2120229900000000, 0.1847361800000000, -0.0437075000000000 ] - [ -0.0016431300000000, 0.0013976500000000, -0.0000515500000000 ] - [ 0.0023360300000000, -0.0004978600000000, -0.0003008600000000 ] - [ -0.0020762300000000, -0.0018312800000000, -0.0004486200000000 ] - [ -0.0016284700000000, -0.0003947000000000, -0.0006587800000000 ] - [ -0.0008797900000000, 0.0003643200000000, 0.0001723100000000 ] - [ 0.0002982100000000, -0.0001862700000000, 0.0001227300000000 ] - [ -0.0009194600000000, -0.0005687700000000, 0.0001629100000000 ] - [ -0.0011922500000000, -0.0003092700000000, 0.0000348600000000 ] - [ -0.0012531100000000, 0.0003893200000000, -0.0005568800000000 ] - [ -0.0010814900000000, 0.0006235300000000, 0.0002356200000000 ] - [ -0.0007986800000000, -0.0002732600000000, -0.0004264900000000 ] - [ -0.0004975200000000, -0.0046495300000000, 0.0018815600000000 ] - [ -0.0001036700000000, -0.0003147500000000, -0.0002072000000000 ] - [ 0.0004303400000000, -0.0012576800000000, -0.0005511900000000 ] - [ -0.0002396500000000, -0.0001298900000000, -0.0003405200000000 ] - [ 0.0030110900000000, 0.0000236600000000, -0.0012944300000000 ] - [ 0.0007016200000000, 0.0002239700000000, 0.0006480200000000 ] - [ 0.0013960800000000, -0.0004653800000000, -0.0000671300000000 ] - [ -0.0000577000000000, -0.0004219200000000, 0.0004107500000000 ] - [ -0.0007881100000000, 0.0022588600000000, -0.0023885400000000 ] - [ -0.0006235600000000, 0.0009073900000000, -0.0000456900000000 ] - [ -0.0001397700000000, 0.0016666500000000, 0.0006613700000000 ] - [ -0.0006090900000000, -0.0004547900000000, 0.0001297600000000 ] - [ 0.0012048400000000, 0.0012170800000000, 0.0005103300000000 ] - [ -0.0005674900000000, 0.0001409700000000, -0.0002427600000000 ] - [ 0.0012727300000000, 0.0008418200000000, -0.0005313200000000 ] - [ 0.0004630400000000, -0.0004112200000000, -0.0001435900000000 ] - [ -0.0002399600000000, -0.0007613900000000, 0.0005288000000000 ] - [ -0.0003733900000000, -0.0001236900000000, -0.0002995300000000 ] - [ -0.0007923700000000, -0.0000398600000000, -0.0000393300000000 ] - [ -0.0004803800000000, -0.0001111500000000, -0.0001030800000000 ]- atom: 23 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009625900000000, -0.0000765000000000, -0.0013919500000000 ] - [ -0.0003898300000000, -0.0001826100000000, 0.0002377800000000 ] - [ -0.0008278500000000, -0.0005499300000000, -0.0000895400000000 ] - [ 0.0008159300000000, 0.0003336800000000, -0.0000229200000000 ] - [ -0.0007221800000000, 0.0005306400000000, -0.0001230600000000 ] - [ -0.0002701800000000, -0.0011772300000000, 0.0024360900000000 ] - [ -0.0133314600000000, -0.0062995500000000, -0.0010928000000000 ] - [ -0.0028600200000000, 0.0004139000000000, -0.0000078600000000 ] - [ 0.0005276500000000, 0.0034062300000000, -0.0001543800000000 ] - [ -0.0027161400000000, -0.0000473600000000, 0.0001118600000000 ] - [ 0.0050328600000000, -0.0045915100000000, -0.0033211600000000 ] - [ 0.0000819100000000, 0.0014394500000000, 0.0004140800000000 ] - [ 0.0012678300000000, -0.0015749400000000, -0.0004097500000000 ] - [ -0.0001023500000000, -0.0018575200000000, 0.0002101800000000 ] - [ -0.0002451800000000, 0.0000436200000000, -0.0001731700000000 ] - [ -0.0012193900000000, 0.0014257800000000, 0.0013372400000000 ] - [ 0.0001684600000000, -0.0001415100000000, -0.0002469000000000 ] - [ 0.0004946700000000, 0.0006608600000000, -0.0006718200000000 ] - [ -0.0002398400000000, -0.0000459800000000, 0.0001960000000000 ] - [ 0.0003490500000000, -0.0001229800000000, 0.0003303000000000 ] - [ -0.0001071300000000, -0.0001538900000000, 0.0001407000000000 ] - [ -0.0002490600000000, 0.0001956000000000, 0.0001580000000000 ] - [ 0.2112528100000000, 0.1762846000000000, -0.0383680100000000 ] - [ -0.0023590500000000, 0.0013789100000000, -0.0005844400000000 ] - [ 0.0026281700000000, -0.0013719100000000, -0.0009126600000000 ] - [ -0.0023368700000000, -0.0019647400000000, -0.0014157600000000 ] - [ -0.0002117600000000, -0.0003255400000000, 0.0001732300000000 ] - [ -0.0003336000000000, 0.0001239600000000, 0.0001085100000000 ] - [ -0.0000301100000000, -0.0001261300000000, 0.0001639200000000 ] - [ -0.0003864800000000, -0.0002859300000000, 0.0000651700000000 ] - [ 0.0006551100000000, 0.0034734000000000, -0.0003593700000000 ] - [ -0.0006728400000000, 0.0004663900000000, -0.0000788000000000 ] - [ 0.0028166400000000, 0.0009759800000000, 0.0000152400000000 ] - [ 0.0011553900000000, -0.0006175200000000, 0.0002401600000000 ] - [ -0.0002047000000000, -0.0021587700000000, 0.0001335900000000 ] - [ -0.0003167800000000, -0.0003495800000000, -0.0005851200000000 ] - [ -0.0024320400000000, 0.0000540100000000, -0.0000034100000000 ] - [ -0.0015596100000000, -0.0001073100000000, -0.0002214100000000 ] - [ 0.0013662500000000, 0.0050468300000000, -0.0012912200000000 ] - [ 0.0005325700000000, 0.0003167300000000, 0.0005074700000000 ] - [ 0.0005451000000000, -0.0002140100000000, 0.0005708800000000 ] - [ 0.0038728700000000, -0.0036551000000000, 0.0003477600000000 ] - [ -0.0006924000000000, 0.0001679400000000, 0.0006148200000000 ] - [ -0.0025188200000000, -0.0001114200000000, 0.0006850800000000 ] - [ 0.0006361300000000, 0.0002367600000000, -0.0005476400000000 ] - [ -0.0011058800000000, 0.0007898200000000, -0.0003722000000000 ] - [ 0.0010037200000000, 0.0002446300000000, -0.0003517100000000 ] - [ 0.0014427900000000, -0.0005055100000000, -0.0004257300000000 ] - [ -0.2053154200000000, -0.1728539700000000, 0.0408082800000000 ] - [ 0.0018094800000000, -0.0015752100000000, 0.0000688300000000 ] - [ -0.0025060200000000, 0.0006644000000000, 0.0003195800000000 ] - [ 0.0022520000000000, 0.0020020200000000, 0.0004711300000000 ] - [ 0.0018200300000000, 0.0005954800000000, 0.0007129400000000 ] - [ 0.0007431800000000, -0.0002263700000000, -0.0001895300000000 ] - [ -0.0001568900000000, 0.0000546300000000, -0.0001399400000000 ] - [ 0.0007857100000000, 0.0004388000000000, -0.0001811300000000 ] - [ 0.0005552800000000, 0.0003731300000000, -0.0003033400000000 ] - [ 0.0020010300000000, -0.0003329500000000, 0.0003334300000000 ] - [ 0.0003685500000000, -0.0006820100000000, -0.0004639100000000 ] - [ 0.0015207500000000, 0.0002134900000000, 0.0001989100000000 ] - [ 0.0005616600000000, 0.0039736700000000, -0.0021306000000000 ] - [ 0.0000347200000000, -0.0003923700000000, -0.0000255800000000 ] - [ -0.0003733600000000, 0.0020065700000000, 0.0003263200000000 ] - [ 0.0001803300000000, 0.0008600200000000, 0.0001134900000000 ] - [ -0.0023375300000000, -0.0000762600000000, 0.0015609600000000 ] - [ -0.0014481400000000, -0.0002856200000000, -0.0004321100000000 ] - [ -0.0006929300000000, 0.0005404400000000, 0.0002993300000000 ] - [ -0.0006572800000000, 0.0004951500000000, -0.0001820100000000 ] - [ 0.0007211500000000, -0.0015693000000000, 0.0026121800000000 ] - [ 0.0006948000000000, -0.0002053700000000, 0.0002791300000000 ] - [ 0.0000765400000000, -0.0023996800000000, -0.0004437400000000 ] - [ 0.0006791900000000, -0.0002651600000000, 0.0000986400000000 ] - [ -0.0013424900000000, -0.0012353300000000, -0.0002922000000000 ] - [ 0.0007168700000000, -0.0001477200000000, 0.0004710800000000 ] - [ -0.0012996400000000, -0.0009938500000000, 0.0007491500000000 ] - [ -0.0004675300000000, 0.0005616900000000, 0.0003715100000000 ] - [ 0.0003836500000000, 0.0007778300000000, -0.0007573000000000 ] - [ 0.0002337500000000, 0.0001298800000000, 0.0000778100000000 ] - [ 0.0008078300000000, 0.0001835100000000, -0.0001927000000000 ] - [ 0.0004837200000000, -0.0000243000000000, -0.0001138500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0017419600000000, 0.0017419600000000, 0.0011576400000000 ] - [ -0.0000995900000000, -0.0000995900000000, 0.0001582400000000 ] - [ -0.0001626000000000, -0.0001626000000000, -0.0001357600000000 ] - [ 0.0001047100000000, 0.0001747300000000, 0.0000232600000000 ] - [ 0.0001747300000000, 0.0001047100000000, 0.0000232600000000 ] - [ -0.0013289200000000, -0.0013289200000000, 0.0005670200000000 ] - [ 0.0024760800000000, 0.0029634300000000, -0.0011720100000000 ] - [ -0.0006085700000000, 0.0001228600000000, 0.0000555900000000 ] - [ 0.0004070400000000, 0.0005211500000000, -0.0001104000000000 ] - [ -0.0009759100000000, 0.0001541200000000, 0.0001946800000000 ] - [ 0.0029634300000000, 0.0024760800000000, -0.0011720100000000 ] - [ 0.0005211500000000, 0.0004070400000000, -0.0001104000000000 ] - [ 0.0001228600000000, -0.0006085700000000, 0.0000555900000000 ] - [ 0.0001541200000000, -0.0009759100000000, 0.0001946800000000 ] - [ 0.0000865300000000, 0.0000495300000000, -0.0002569400000000 ] - [ -0.0011980200000000, 0.0007318000000000, -0.0000011900000000 ] - [ 0.0000495300000000, 0.0000865300000000, -0.0002569400000000 ] - [ 0.0007318000000000, -0.0011980200000000, -0.0000011900000000 ] - [ -0.0002013800000000, -0.0000110300000000, 0.0001807900000000 ] - [ 0.0002894300000000, -0.0000626100000000, 0.0001200900000000 ] - [ -0.0000110300000000, -0.0002013800000000, 0.0001807900000000 ] - [ -0.0000626100000000, 0.0002894300000000, 0.0001200900000000 ] - [ 0.0405182700000000, 0.0405182700000000, -0.0309887400000000 ] - [ -0.0003251400000000, 0.0006559800000000, -0.0006523000000000 ] - [ 0.0006559800000000, -0.0003251400000000, -0.0006523000000000 ] - [ -0.0011545500000000, -0.0011545500000000, -0.0005674200000000 ] - [ 0.0000821100000000, 0.0000821100000000, 0.0013374800000000 ] - [ -0.0001421100000000, 0.0000868900000000, 0.0001792600000000 ] - [ 0.0000868900000000, -0.0001421100000000, 0.0001792600000000 ] - [ -0.0001846000000000, -0.0001846000000000, 0.0001155900000000 ] - [ -0.0011111800000000, -0.0021554100000000, 0.0037883000000000 ] - [ 0.0000146800000000, 0.0002182600000000, 0.0003681900000000 ] - [ -0.0021554100000000, -0.0011111800000000, 0.0037883000000000 ] - [ 0.0002182600000000, 0.0000146800000000, 0.0003681900000000 ] - [ 0.0002365300000000, -0.0004469900000000, -0.0004836200000000 ] - [ -0.0001289100000000, -0.0003212000000000, -0.0002947000000000 ] - [ -0.0004469900000000, 0.0002365300000000, -0.0004836200000000 ] - [ -0.0003212000000000, -0.0001289100000000, -0.0002947000000000 ] - [ 0.0009999600000000, 0.0009999600000000, 0.0034952000000000 ] - [ 0.0002792800000000, 0.0002792800000000, 0.0004024300000000 ] - [ -0.0002892200000000, -0.0001771900000000, 0.0005361800000000 ] - [ 0.0009352600000000, -0.0006732200000000, 0.0010976000000000 ] - [ -0.0001771900000000, -0.0002892200000000, 0.0005361800000000 ] - [ -0.0006732200000000, 0.0009352600000000, 0.0010976000000000 ] - [ 0.0005455600000000, 0.0001813600000000, -0.0004890700000000 ] - [ -0.0007930300000000, 0.0003335100000000, -0.0004625300000000 ] - [ 0.0001813600000000, 0.0005455600000000, -0.0004890700000000 ] - [ 0.0003335100000000, -0.0007930300000000, -0.0004625300000000 ] - [ -0.0485394400000000, -0.0485394400000000, 0.0242997000000000 ] - [ 0.0002786200000000, -0.0006797000000000, 0.0002212000000000 ] - [ -0.0006797000000000, 0.0002786200000000, 0.0002212000000000 ] - [ 0.0011822800000000, 0.0011822800000000, 0.0001596200000000 ] - [ 0.0040478200000000, 0.0040478200000000, 0.0035856500000000 ] - [ 0.0000468600000000, 0.0000036200000000, -0.0000423100000000 ] - [ 0.0000036200000000, 0.0000468600000000, -0.0000423100000000 ] - [ 0.0002095600000000, 0.0002095600000000, -0.0001215600000000 ] - [ -0.0010831200000000, -0.0000498100000000, 0.0000527300000000 ] - [ 0.0004287300000000, -0.0001047900000000, 0.0000097300000000 ] - [ -0.0002143500000000, -0.0001146200000000, -0.0001518200000000 ] - [ 0.0006659200000000, 0.0000591500000000, 0.0000040000000000 ] - [ -0.0000498100000000, -0.0010831200000000, 0.0000527300000000 ] - [ -0.0001146200000000, -0.0002143500000000, -0.0001518200000000 ] - [ -0.0001047900000000, 0.0004287300000000, 0.0000097300000000 ] - [ 0.0000591500000000, 0.0006659200000000, 0.0000040000000000 ] - [ 0.0014833600000000, -0.0006692000000000, -0.0014294500000000 ] - [ -0.0006139600000000, 0.0002652300000000, -0.0007957700000000 ] - [ 0.0001659100000000, 0.0001583200000000, 0.0001267200000000 ] - [ -0.0004524300000000, 0.0001396700000000, -0.0000179400000000 ] - [ -0.0006692000000000, 0.0014833600000000, -0.0014294500000000 ] - [ 0.0001583200000000, 0.0001659100000000, 0.0001267200000000 ] - [ 0.0002652300000000, -0.0006139600000000, -0.0007957700000000 ] - [ 0.0001396700000000, -0.0004524300000000, -0.0000179400000000 ] - [ 0.0012045300000000, -0.0003266800000000, -0.0024172800000000 ] - [ 0.0000372800000000, -0.0001209300000000, 0.0001562600000000 ] - [ -0.0003266800000000, 0.0012045300000000, -0.0024172800000000 ] - [ -0.0001209300000000, 0.0000372800000000, 0.0001562600000000 ] - [ 0.0000166000000000, 0.0001331200000000, 0.0000110500000000 ] - [ -0.0000132900000000, 0.0000960500000000, -0.0000808500000000 ] - [ 0.0001331200000000, 0.0000166000000000, 0.0000110500000000 ] - [ 0.0000960500000000, -0.0000132900000000, -0.0000808500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017647300000000, -0.0017647300000000, -0.0016198800000000 ] - [ 0.0000992900000000, 0.0000992900000000, 0.0002942400000000 ] - [ 0.0001619100000000, 0.0001619100000000, 0.0001352200000000 ] - [ -0.0001042200000000, -0.0001842500000000, -0.0000191200000000 ] - [ -0.0001842500000000, -0.0001042200000000, -0.0000191200000000 ] - [ 0.0013732200000000, 0.0013732200000000, -0.0005843800000000 ] - [ -0.0021392900000000, -0.0033448500000000, 0.0010870800000000 ] - [ 0.0002451400000000, -0.0004867000000000, -0.0000592200000000 ] - [ -0.0000429400000000, -0.0001485600000000, 0.0000961800000000 ] - [ 0.0006118700000000, 0.0002110800000000, -0.0001950000000000 ] - [ -0.0033448500000000, -0.0021392900000000, 0.0010870800000000 ] - [ -0.0001485600000000, -0.0000429400000000, 0.0000961800000000 ] - [ -0.0004867000000000, 0.0002451400000000, -0.0000592200000000 ] - [ 0.0002110800000000, 0.0006118700000000, -0.0001950000000000 ] - [ 0.0002931000000000, -0.0000492000000000, -0.0001253500000000 ] - [ 0.0008195200000000, -0.0007314100000000, -0.0003594000000000 ] - [ -0.0000492000000000, 0.0002931000000000, -0.0001253500000000 ] - [ -0.0007314100000000, 0.0008195200000000, -0.0003594000000000 ] - [ -0.0001797000000000, 0.0000119500000000, 0.0002023800000000 ] - [ 0.0000918700000000, 0.0000641600000000, 0.0002639500000000 ] - [ 0.0000119500000000, -0.0001797000000000, 0.0002023800000000 ] - [ 0.0000641600000000, 0.0000918700000000, 0.0002639500000000 ] - [ -0.0387097300000000, -0.0387097300000000, 0.0288960400000000 ] - [ 0.0004545500000000, -0.0007765700000000, 0.0002695900000000 ] - [ -0.0007765700000000, 0.0004545500000000, 0.0002695900000000 ] - [ 0.0012765700000000, 0.0012765700000000, 0.0001917600000000 ] - [ 0.0000400500000000, 0.0000400500000000, -0.0009656800000000 ] - [ 0.0000209700000000, 0.0000344400000000, 0.0002050500000000 ] - [ 0.0000344400000000, 0.0000209700000000, 0.0002050500000000 ] - [ 0.0000631000000000, 0.0000631000000000, 0.0002685600000000 ] - [ 0.0009665800000000, 0.0021369000000000, -0.0032992400000000 ] - [ 0.0001418300000000, -0.0002202400000000, 0.0001401800000000 ] - [ 0.0021369000000000, 0.0009665800000000, -0.0032992400000000 ] - [ -0.0002202400000000, 0.0001418300000000, 0.0001401800000000 ] - [ -0.0000854300000000, 0.0004426500000000, -0.0000269100000000 ] - [ -0.0000273300000000, 0.0003194600000000, -0.0002164800000000 ] - [ 0.0004426500000000, -0.0000854300000000, -0.0000269100000000 ] - [ 0.0003194600000000, -0.0000273300000000, -0.0002164800000000 ] - [ -0.0009702400000000, -0.0009702400000000, -0.0044664500000000 ] - [ -0.0002808100000000, -0.0002808100000000, 0.0005899100000000 ] - [ -0.0008723000000000, 0.0001760900000000, 0.0005223600000000 ] - [ 0.0002531200000000, 0.0006503500000000, -0.0000424200000000 ] - [ 0.0001760900000000, -0.0008723000000000, 0.0005223600000000 ] - [ 0.0006503500000000, 0.0002531200000000, -0.0000424200000000 ] - [ 0.0006156600000000, -0.0001824200000000, -0.0005669200000000 ] - [ -0.0003688500000000, -0.0003352700000000, -0.0005925000000000 ] - [ -0.0001824200000000, 0.0006156600000000, -0.0005669200000000 ] - [ -0.0003352700000000, -0.0003688500000000, -0.0005925000000000 ] - [ 0.0464491400000000, 0.0464491400000000, -0.0224600100000000 ] - [ -0.0001363000000000, 0.0005337300000000, -0.0002086800000000 ] - [ 0.0005337300000000, -0.0001363000000000, -0.0002086800000000 ] - [ -0.0010374300000000, -0.0010374300000000, -0.0001493500000000 ] - [ -0.0039341600000000, -0.0039341600000000, -0.0035491300000000 ] - [ -0.0001926100000000, 0.0001432300000000, 0.0000312500000000 ] - [ 0.0001432300000000, -0.0001926100000000, 0.0000312500000000 ] - [ -0.0003555100000000, -0.0003555100000000, 0.0001074600000000 ] - [ 0.0003997300000000, 0.0001104400000000, -0.0003045700000000 ] - [ 0.0002902900000000, 0.0001660000000000, -0.0002378000000000 ] - [ -0.0004990100000000, 0.0000527000000000, -0.0000758500000000 ] - [ 0.0000489000000000, -0.0001192100000000, -0.0002300600000000 ] - [ 0.0001104400000000, 0.0003997300000000, -0.0003045700000000 ] - [ 0.0000527000000000, -0.0004990100000000, -0.0000758500000000 ] - [ 0.0001660000000000, 0.0002902900000000, -0.0002378000000000 ] - [ -0.0001192100000000, 0.0000489000000000, -0.0002300600000000 ] - [ -0.0007646300000000, 0.0006013800000000, 0.0016679400000000 ] - [ -0.0000824000000000, -0.0003305600000000, 0.0010423200000000 ] - [ 0.0005472400000000, -0.0000976800000000, 0.0001006700000000 ] - [ -0.0002588100000000, -0.0000804800000000, 0.0002466300000000 ] - [ 0.0006013800000000, -0.0007646300000000, 0.0016679400000000 ] - [ -0.0000976800000000, 0.0005472400000000, 0.0001006700000000 ] - [ -0.0003305600000000, -0.0000824000000000, 0.0010423200000000 ] - [ -0.0000804800000000, -0.0002588100000000, 0.0002466300000000 ] - [ -0.0013629300000000, 0.0003397500000000, 0.0026622700000000 ] - [ 0.0001079400000000, 0.0001216400000000, 0.0000703600000000 ] - [ 0.0003397500000000, -0.0013629300000000, 0.0026622700000000 ] - [ 0.0001216400000000, 0.0001079400000000, 0.0000703600000000 ] - [ 0.0001263300000000, -0.0001316200000000, -0.0002448900000000 ] - [ -0.0001299400000000, -0.0000955100000000, -0.0001479600000000 ] - [ -0.0001316200000000, 0.0001263300000000, -0.0002448900000000 ] - [ -0.0000955100000000, -0.0001299400000000, -0.0001479600000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0061020300000000, 0.0000000000000000, -0.0029024300000000 ] - [ 0.0001188700000000, 0.0000000000000000, 0.0002720800000000 ] - [ 0.0013518500000000, 0.0000696100000000, 0.0000308000000000 ] - [ -0.0048452500000000, 0.0042975200000000, 0.0045356300000000 ] - [ 0.0013518500000000, -0.0000696100000000, 0.0000308000000000 ] - [ -0.0048452500000000, -0.0042975200000000, 0.0045356300000000 ] - [ 0.0038409400000000, 0.0044075000000000, -0.0115256200000000 ] - [ 0.0021800800000000, -0.0000506900000000, -0.0004757100000000 ] - [ 0.0038409400000000, -0.0044075000000000, -0.0115256200000000 ] - [ 0.0021800800000000, 0.0000506900000000, -0.0004757100000000 ] - [ -0.0019673100000000, 0.0000156300000000, -0.0003699700000000 ] - [ 0.0009699000000000, -0.0003192400000000, 0.0000904800000000 ] - [ -0.0019673100000000, -0.0000156300000000, -0.0003699700000000 ] - [ 0.0009699000000000, 0.0003192400000000, 0.0000904800000000 ] - [ 0.0005457500000000, 0.0000000000000000, -0.0002825400000000 ] - [ -0.0093161900000000, 0.0000000000000000, -0.0130402400000000 ] - [ -0.0000230700000000, 0.0004969700000000, -0.0005329800000000 ] - [ -0.0000230700000000, -0.0004969700000000, -0.0005329800000000 ] - [ -0.0000506300000000, 0.0000000000000000, 0.0001756100000000 ] - [ -0.0000062400000000, 0.0000000000000000, 0.0002245700000000 ] - [ 0.0006864600000000, -0.0013073600000000, 0.0001303300000000 ] - [ 0.0006864600000000, 0.0013073600000000, 0.0001303300000000 ] - [ -0.0007780100000000, -0.0011036700000000, -0.0012311100000000 ] - [ 0.0008032800000000, -0.0007451300000000, -0.0001281600000000 ] - [ -0.0007780100000000, 0.0011036700000000, -0.0012311100000000 ] - [ 0.0008032800000000, 0.0007451300000000, -0.0001281600000000 ] - [ 0.0003331500000000, 0.0000848900000000, 0.0003512900000000 ] - [ 0.0001734500000000, 0.0000374000000000, 0.0002415400000000 ] - [ 0.0003331500000000, -0.0000848900000000, 0.0003512900000000 ] - [ 0.0001734500000000, -0.0000374000000000, 0.0002415400000000 ] - [ -0.3121239300000000, 0.0000000000000000, 0.1902635700000000 ] - [ 0.0012746500000000, 0.0000000000000000, 0.0015790200000000 ] - [ -0.0006569300000000, -0.0023180600000000, 0.0035888400000000 ] - [ -0.0006569300000000, 0.0023180600000000, 0.0035888400000000 ] - [ 0.0000261600000000, 0.0000000000000000, -0.0002999800000000 ] - [ 0.0001648000000000, 0.0000000000000000, 0.0000552300000000 ] - [ -0.0000838400000000, -0.0000371200000000, 0.0013467500000000 ] - [ -0.0000838400000000, 0.0000371200000000, 0.0013467500000000 ] - [ -0.0007849400000000, 0.0000000000000000, -0.0014811500000000 ] - [ -0.0003923200000000, 0.0000000000000000, 0.0005529000000000 ] - [ -0.0013656600000000, 0.0000000000000000, 0.0007136700000000 ] - [ 0.0057359400000000, 0.0000000000000000, 0.0149735900000000 ] - [ 0.0001550400000000, -0.0009184200000000, 0.0006476900000000 ] - [ 0.0001550400000000, 0.0009184200000000, 0.0006476900000000 ] - [ 0.0002972100000000, 0.0000000000000000, -0.0005672000000000 ] - [ -0.0000487200000000, 0.0000000000000000, -0.0005950400000000 ] - [ -0.0003773200000000, 0.0017823600000000, 0.0004044200000000 ] - [ -0.0003773200000000, -0.0017823600000000, 0.0004044200000000 ] - [ 0.0018414500000000, 0.0008242000000000, 0.0050792600000000 ] - [ -0.0009486600000000, 0.0004318400000000, 0.0000692100000000 ] - [ 0.0018414500000000, -0.0008242000000000, 0.0050792600000000 ] - [ -0.0009486600000000, -0.0004318400000000, 0.0000692100000000 ] - [ -0.0002737700000000, -0.0013131600000000, 0.0005615800000000 ] - [ -0.0009423100000000, 0.0000409800000000, 0.0000379600000000 ] - [ -0.0002737700000000, 0.0013131600000000, 0.0005615800000000 ] - [ -0.0009423100000000, -0.0000409800000000, 0.0000379600000000 ] - [ 0.0006225900000000, 0.0006347300000000, -0.0002820800000000 ] - [ -0.0001106800000000, 0.0001010800000000, -0.0002507300000000 ] - [ 0.0006225900000000, -0.0006347300000000, -0.0002820800000000 ] - [ -0.0001106800000000, -0.0001010800000000, -0.0002507300000000 ] - [ 0.0003836000000000, -0.0005467700000000, -0.0003756200000000 ] - [ -0.0002702700000000, -0.0002176600000000, -0.0002113900000000 ] - [ 0.0003836000000000, 0.0005467700000000, -0.0003756200000000 ] - [ -0.0002702700000000, 0.0002176600000000, -0.0002113900000000 ] - [ 0.0025871600000000, -0.0000089600000000, -0.0010783000000000 ] - [ -0.0008268100000000, 0.0004471800000000, -0.0007033700000000 ] - [ 0.0025871600000000, 0.0000089600000000, -0.0010783000000000 ] - [ -0.0008268100000000, -0.0004471800000000, -0.0007033700000000 ] - [ 0.0837814800000000, 0.0492729900000000, -0.0352186300000000 ] - [ -0.0007682800000000, 0.0006834300000000, -0.0002565600000000 ] - [ 0.0837814800000000, -0.0492729900000000, -0.0352186300000000 ] - [ -0.0007682800000000, -0.0006834300000000, -0.0002565600000000 ] - [ 0.1398199700000000, 0.0000000000000000, -0.1130465100000000 ] - [ -0.0011431000000000, 0.0000000000000000, -0.0005424500000000 ] - [ -0.0008960600000000, 0.0025312600000000, -0.0010898000000000 ] - [ -0.0008960600000000, -0.0025312600000000, -0.0010898000000000 ] - [ 0.0002705200000000, 0.0000000000000000, -0.0001852800000000 ] - [ -0.0003958500000000, 0.0000000000000000, -0.0002695000000000 ] - [ -0.0003060100000000, -0.0003157700000000, -0.0011847100000000 ] - [ -0.0003060100000000, 0.0003157700000000, -0.0011847100000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0061958700000000, 0.0000000000000000, 0.0024948800000000 ] - [ -0.0001258000000000, 0.0000000000000000, 0.0001741800000000 ] - [ -0.0013607500000000, -0.0000794600000000, -0.0000286400000000 ] - [ 0.0048823800000000, -0.0042724700000000, -0.0045637500000000 ] - [ -0.0013607500000000, 0.0000794600000000, -0.0000286400000000 ] - [ 0.0048823800000000, 0.0042724700000000, -0.0045637500000000 ] - [ -0.0036191600000000, -0.0047622700000000, 0.0115078900000000 ] - [ -0.0025450100000000, -0.0003069700000000, 0.0004627600000000 ] - [ -0.0036191600000000, 0.0047622700000000, 0.0115078900000000 ] - [ -0.0025450100000000, 0.0003069700000000, 0.0004627600000000 ] - [ 0.0016389500000000, 0.0003431700000000, 0.0003650000000000 ] - [ -0.0006010200000000, 0.0006955200000000, -0.0000928500000000 ] - [ 0.0016389500000000, -0.0003431700000000, 0.0003650000000000 ] - [ -0.0006010200000000, -0.0006955200000000, -0.0000928500000000 ] - [ -0.0001676000000000, 0.0000000000000000, -0.0001029300000000 ] - [ 0.0088456400000000, 0.0000000000000000, 0.0125647600000000 ] - [ 0.0000266800000000, -0.0001196000000000, 0.0001517700000000 ] - [ 0.0000266800000000, 0.0001196000000000, 0.0001517700000000 ] - [ -0.0003311600000000, 0.0000000000000000, 0.0002100700000000 ] - [ 0.0003918700000000, 0.0000000000000000, 0.0001619100000000 ] - [ -0.0006834000000000, 0.0009076400000000, 0.0002609500000000 ] - [ -0.0006834000000000, -0.0009076400000000, 0.0002609500000000 ] - [ 0.0006869400000000, 0.0009941600000000, 0.0008466200000000 ] - [ -0.0006900600000000, 0.0006347700000000, -0.0002555100000000 ] - [ 0.0006869400000000, -0.0009941600000000, 0.0008466200000000 ] - [ -0.0006900600000000, -0.0006347700000000, -0.0002555100000000 ] - [ -0.0002264000000000, 0.0000429700000000, 0.0000295800000000 ] - [ -0.0003001200000000, 0.0000896800000000, 0.0001402700000000 ] - [ -0.0002264000000000, -0.0000429700000000, 0.0000295800000000 ] - [ -0.0003001200000000, -0.0000896800000000, 0.0001402700000000 ] - [ 0.3137993600000000, 0.0000000000000000, -0.1942743500000000 ] - [ -0.0011228400000000, 0.0000000000000000, -0.0010740400000000 ] - [ 0.0006794000000000, 0.0021859800000000, -0.0031113900000000 ] - [ 0.0006794000000000, -0.0021859800000000, -0.0031113900000000 ] - [ 0.0001294000000000, 0.0000000000000000, -0.0002136700000000 ] - [ -0.0003230900000000, 0.0000000000000000, -0.0005728700000000 ] - [ 0.0000442600000000, 0.0001926500000000, -0.0018532500000000 ] - [ 0.0000442600000000, -0.0001926500000000, -0.0018532500000000 ] - [ 0.0007982800000000, 0.0000000000000000, 0.0005226200000000 ] - [ 0.0004073100000000, 0.0000000000000000, 0.0004417300000000 ] - [ 0.0001984700000000, 0.0000000000000000, 0.0003476200000000 ] - [ -0.0044720700000000, 0.0000000000000000, -0.0138387100000000 ] - [ -0.0001690100000000, -0.0002510600000000, 0.0004084500000000 ] - [ -0.0001690100000000, 0.0002510600000000, 0.0004084500000000 ] - [ 0.0008743300000000, 0.0000000000000000, -0.0004876700000000 ] - [ -0.0011360600000000, 0.0000000000000000, -0.0004596800000000 ] - [ 0.0003647300000000, -0.0005886800000000, -0.0014261500000000 ] - [ 0.0003647300000000, 0.0005886800000000, -0.0014261500000000 ] - [ -0.0020395100000000, -0.0009576000000000, -0.0050876900000000 ] - [ 0.0011061100000000, -0.0005937700000000, -0.0000480800000000 ] - [ -0.0020395100000000, 0.0009576000000000, -0.0050876900000000 ] - [ 0.0011061100000000, 0.0005937700000000, -0.0000480800000000 ] - [ 0.0004502400000000, 0.0015315300000000, -0.0006028900000000 ] - [ 0.0007965700000000, 0.0000985400000000, -0.0000587100000000 ] - [ 0.0004502400000000, -0.0015315300000000, -0.0006028900000000 ] - [ 0.0007965700000000, -0.0000985400000000, -0.0000587100000000 ] - [ -0.0013011800000000, -0.0005687400000000, 0.0000474400000000 ] - [ 0.0008398300000000, -0.0000526800000000, 0.0000276300000000 ] - [ -0.0013011800000000, 0.0005687400000000, 0.0000474400000000 ] - [ 0.0008398300000000, 0.0000526800000000, 0.0000276300000000 ] - [ -0.0003352500000000, -0.0001577500000000, 0.0001496900000000 ] - [ 0.0002169700000000, -0.0004956900000000, -0.0000179000000000 ] - [ -0.0003352500000000, 0.0001577500000000, 0.0001496900000000 ] - [ 0.0002169700000000, 0.0004956900000000, -0.0000179000000000 ] - [ -0.0019098800000000, -0.0000543000000000, 0.0013223200000000 ] - [ 0.0001144300000000, -0.0005060600000000, 0.0009413300000000 ] - [ -0.0019098800000000, 0.0000543000000000, 0.0013223200000000 ] - [ 0.0001144300000000, 0.0005060600000000, 0.0009413300000000 ] - [ -0.0845739400000000, -0.0485942700000000, 0.0353326200000000 ] - [ 0.0008243200000000, 0.0000220800000000, 0.0004894400000000 ] - [ -0.0845739400000000, 0.0485942700000000, 0.0353326200000000 ] - [ 0.0008243200000000, -0.0000220800000000, 0.0004894400000000 ] - [ -0.1400471700000000, 0.0000000000000000, 0.1180827600000000 ] - [ 0.0012848800000000, 0.0000000000000000, 0.0007624100000000 ] - [ 0.0008960800000000, -0.0026976700000000, 0.0013205000000000 ] - [ 0.0008960800000000, 0.0026976700000000, 0.0013205000000000 ] - [ -0.0001411200000000, 0.0000000000000000, -0.0000323300000000 ] - [ 0.0002681500000000, 0.0000000000000000, 0.0000532000000000 ] - [ 0.0003193400000000, 0.0004395700000000, 0.0009625900000000 ] - [ 0.0003193400000000, -0.0004395700000000, 0.0009625900000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000312000000000, -0.0031416000000000, -0.0002351500000000 ] - [ 0.0000023300000000, 0.0032002700000000, 0.0002233100000000 ] - [ -0.0008426700000000, 0.0001265800000000, -0.0002090100000000 ] - [ 0.0050270200000000, 0.0258526200000000, -0.0185949700000000 ] - [ 0.0008491400000000, 0.0001168900000000, 0.0002088100000000 ] - [ -0.0050559800000000, 0.0260349000000000, 0.0187670900000000 ] - [ 0.0139103000000000, 0.0094782500000000, -0.0381473700000000 ] - [ 0.0067872800000000, -0.0037611000000000, -0.0005922300000000 ] - [ -0.0134637300000000, 0.0096533600000000, 0.0378949100000000 ] - [ -0.0071270600000000, -0.0033845000000000, 0.0005891200000000 ] - [ -0.0038741000000000, 0.0097251900000000, -0.0028777100000000 ] - [ -0.0011070400000000, 0.0027484900000000, -0.0015262200000000 ] - [ 0.0034941600000000, 0.0093753300000000, 0.0028720400000000 ] - [ 0.0014704000000000, 0.0023934500000000, 0.0015239800000000 ] - [ 0.0001905100000000, -0.0004375700000000, -0.0001922800000000 ] - [ -0.0002454700000000, 0.0015936800000000, -0.0002780500000000 ] - [ 0.0004900400000000, 0.0007292200000000, -0.0007863000000000 ] - [ -0.0004906300000000, 0.0003447400000000, 0.0004021200000000 ] - [ -0.0001898400000000, 0.0006660400000000, 0.0001912500000000 ] - [ 0.0001894700000000, 0.0016702400000000, 0.0001892200000000 ] - [ -0.0039618000000000, 0.0026774600000000, -0.0002618500000000 ] - [ 0.0039652400000000, 0.0030580300000000, 0.0006484600000000 ] - [ -0.0035211700000000, -0.0028549700000000, -0.0023446100000000 ] - [ 0.0005189400000000, -0.0012116400000000, 0.0000269300000000 ] - [ 0.0033988700000000, -0.0027178300000000, 0.0019477300000000 ] - [ -0.0003972400000000, -0.0010878100000000, -0.0004116300000000 ] - [ 0.0021966200000000, 0.0024781200000000, -0.0002515900000000 ] - [ -0.0003976400000000, 0.0016144500000000, -0.0001277200000000 ] - [ -0.0020718100000000, 0.0023464600000000, 0.0006384500000000 ] - [ 0.0002847700000000, 0.0015005100000000, 0.0005130900000000 ] - [ -0.0064483100000000, -0.7481096800000000, 0.0133520800000000 ] - [ 0.0000827500000000, -0.0067311300000000, 0.0002629600000000 ] - [ -0.0091089000000000, -0.0007599200000000, 0.0021885900000000 ] - [ 0.0090624500000000, -0.0005773700000000, -0.0016276800000000 ] - [ 0.0000810200000000, 0.0126045000000000, -0.0002594000000000 ] - [ -0.0000786500000000, 0.0044031000000000, -0.0002551600000000 ] - [ 0.0062942600000000, 0.0000091800000000, 0.0021655200000000 ] - [ -0.0062881500000000, -0.0001375700000000, -0.0026560000000000 ] - [ -0.0000031400000000, 0.0039211800000000, -0.0005004900000000 ] - [ -0.0000030900000000, -0.0037236700000000, 0.0005013200000000 ] - [ -0.0005854800000000, 0.0040470900000000, 0.0005288400000000 ] - [ 0.0006173700000000, 0.0162311400000000, 0.0006791600000000 ] - [ -0.0016272300000000, -0.0022000200000000, 0.0003334500000000 ] - [ 0.0016337600000000, -0.0010258700000000, 0.0007242900000000 ] - [ 0.0005836300000000, -0.0030327800000000, -0.0005278900000000 ] - [ -0.0005823900000000, -0.0063295200000000, -0.0005273300000000 ] - [ 0.0141016400000000, -0.0014913300000000, -0.0058548300000000 ] - [ -0.0141182000000000, -0.0026648100000000, 0.0048082000000000 ] - [ 0.0046755200000000, -0.0013792600000000, 0.0083323300000000 ] - [ -0.0003475700000000, 0.0012913200000000, -0.0000859700000000 ] - [ -0.0048244100000000, -0.0012611600000000, -0.0082970700000000 ] - [ 0.0004921500000000, 0.0014324300000000, 0.0001105200000000 ] - [ 0.0000010100000000, -0.0086924100000000, 0.0025879500000000 ] - [ -0.0015955500000000, -0.0021415900000000, 0.0002516600000000 ] - [ 0.0001445300000000, -0.0088860700000000, -0.0026028900000000 ] - [ 0.0014389900000000, -0.0022957900000000, -0.0002722200000000 ] - [ -0.0035734600000000, -0.0002447800000000, -0.0010115100000000 ] - [ -0.0039709700000000, 0.0013876700000000, -0.0009527300000000 ] - [ 0.0028477600000000, -0.0003155300000000, 0.0007768500000000 ] - [ 0.0046853900000000, 0.0013254000000000, 0.0007207000000000 ] - [ -0.0003951400000000, -0.0099719200000000, 0.0002609700000000 ] - [ 0.0004588600000000, -0.0030634300000000, 0.0006336100000000 ] - [ 0.0004592000000000, -0.0092348100000000, -0.0005063500000000 ] - [ -0.0005165500000000, -0.0023413300000000, -0.0008581700000000 ] - [ 0.0073411700000000, -0.0038310800000000, -0.0007654700000000 ] - [ 0.0039104700000000, -0.0006080200000000, 0.0016314700000000 ] - [ -0.0065625000000000, -0.0037621700000000, 0.0009811100000000 ] - [ -0.0046272400000000, -0.0005568300000000, -0.0014142300000000 ] - [ 0.0579277900000000, 0.3091678800000000, -0.1198918300000000 ] - [ -0.0017053900000000, 0.0042621600000000, -0.0011587000000000 ] - [ -0.0521220700000000, 0.2876352800000000, 0.1079804200000000 ] - [ 0.0017575300000000, 0.0035306900000000, 0.0013778400000000 ] - [ 0.0003756000000000, 0.0943654800000000, -0.0008141600000000 ] - [ 0.0000630000000000, 0.0021378600000000, 0.0001090200000000 ] - [ 0.0026357000000000, 0.0006142300000000, -0.0014018200000000 ] - [ -0.0026311500000000, 0.0007170600000000, 0.0016056600000000 ] - [ 0.0000665000000000, -0.0052462900000000, -0.0001115900000000 ] - [ -0.0000702400000000, -0.0018512900000000, -0.0001126900000000 ] - [ -0.0031528800000000, -0.0026327500000000, -0.0023266700000000 ] - [ 0.0031404700000000, -0.0027707400000000, 0.0020885100000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0107829900000000, 0.0000000000000000, 0.0020970200000000 ] - [ -0.0001905300000000, 0.0000000000000000, 0.0000567100000000 ] - [ -0.0018039800000000, -0.0002279600000000, -0.0000763800000000 ] - [ 0.0057212300000000, -0.0129753400000000, -0.0107448400000000 ] - [ -0.0018039800000000, 0.0002279600000000, -0.0000763800000000 ] - [ 0.0057212300000000, 0.0129753400000000, -0.0107448400000000 ] - [ -0.0033979400000000, -0.0118916000000000, 0.0250402500000000 ] - [ -0.0039475700000000, -0.0001126600000000, 0.0011520300000000 ] - [ -0.0033979400000000, 0.0118916000000000, 0.0250402500000000 ] - [ -0.0039475700000000, 0.0001126600000000, 0.0011520300000000 ] - [ 0.0025754200000000, 0.0009764600000000, 0.0010308600000000 ] - [ -0.0010823000000000, 0.0006234700000000, -0.0002160000000000 ] - [ 0.0025754200000000, -0.0009764600000000, 0.0010308600000000 ] - [ -0.0010823000000000, -0.0006234700000000, -0.0002160000000000 ] - [ -0.0000257000000000, 0.0000000000000000, 0.0001560100000000 ] - [ 0.0096830600000000, 0.0000000000000000, 0.0238369100000000 ] - [ -0.0000797500000000, -0.0003502800000000, 0.0004610100000000 ] - [ -0.0000797500000000, 0.0003502800000000, 0.0004610100000000 ] - [ -0.0003832900000000, 0.0000000000000000, 0.0001661600000000 ] - [ 0.0004496700000000, 0.0000000000000000, 0.0000273000000000 ] - [ -0.0020730400000000, 0.0015686600000000, -0.0006629100000000 ] - [ -0.0020730400000000, -0.0015686600000000, -0.0006629100000000 ] - [ 0.0005739900000000, 0.0002047800000000, 0.0033528600000000 ] - [ -0.0002985100000000, -0.0000184800000000, -0.0000833000000000 ] - [ 0.0005739900000000, -0.0002047800000000, 0.0033528600000000 ] - [ -0.0002985100000000, 0.0000184800000000, -0.0000833000000000 ] - [ -0.0003541600000000, -0.0002125800000000, -0.0000344200000000 ] - [ -0.0003639000000000, -0.0000029600000000, 0.0001573500000000 ] - [ -0.0003541600000000, 0.0002125800000000, -0.0000344200000000 ] - [ -0.0003639000000000, 0.0000029600000000, 0.0001573500000000 ] - [ 0.1974981100000000, 0.0000000000000000, -0.6539371700000000 ] - [ -0.0012677200000000, 0.0000000000000000, -0.0021671000000000 ] - [ 0.0019219400000000, 0.0032977100000000, -0.0065977600000000 ] - [ 0.0019219400000000, -0.0032977100000000, -0.0065977600000000 ] - [ 0.0000168600000000, 0.0000000000000000, 0.0000370800000000 ] - [ -0.0003736300000000, 0.0000000000000000, -0.0006242800000000 ] - [ 0.0024282600000000, 0.0016687100000000, -0.0035882600000000 ] - [ 0.0024282600000000, -0.0016687100000000, -0.0035882600000000 ] - [ -0.0003822300000000, 0.0000000000000000, -0.0022548000000000 ] - [ 0.0005614900000000, 0.0000000000000000, 0.0003591000000000 ] - [ 0.0002795100000000, 0.0000000000000000, -0.0001761300000000 ] - [ -0.0038136700000000, 0.0000000000000000, -0.0224653400000000 ] - [ -0.0000791000000000, -0.0000792100000000, 0.0002209100000000 ] - [ -0.0000791000000000, 0.0000792100000000, 0.0002209100000000 ] - [ 0.0010145200000000, 0.0000000000000000, -0.0004602600000000 ] - [ -0.0014850700000000, 0.0000000000000000, -0.0004316000000000 ] - [ 0.0054965200000000, -0.0015020000000000, -0.0038025400000000 ] - [ 0.0054965200000000, 0.0015020000000000, -0.0038025400000000 ] - [ -0.0016717500000000, -0.0020489600000000, -0.0069516900000000 ] - [ 0.0009406500000000, -0.0001186900000000, -0.0001994900000000 ] - [ -0.0016717500000000, 0.0020489600000000, -0.0069516900000000 ] - [ 0.0009406500000000, 0.0001186900000000, -0.0001994900000000 ] - [ -0.0013239400000000, 0.0027463300000000, -0.0022675300000000 ] - [ 0.0013448500000000, 0.0004207900000000, -0.0000200800000000 ] - [ -0.0013239400000000, -0.0027463300000000, -0.0022675300000000 ] - [ 0.0013448500000000, -0.0004207900000000, -0.0000200800000000 ] - [ -0.0031455000000000, -0.0022304200000000, -0.0004343600000000 ] - [ 0.0004100300000000, -0.0001231400000000, -0.0002670300000000 ] - [ -0.0031455000000000, 0.0022304200000000, -0.0004343600000000 ] - [ 0.0004100300000000, 0.0001231400000000, -0.0002670300000000 ] - [ -0.0004775900000000, 0.0000395200000000, 0.0003106600000000 ] - [ 0.0002860500000000, -0.0005525500000000, -0.0000502400000000 ] - [ -0.0004775900000000, -0.0000395200000000, 0.0003106600000000 ] - [ 0.0002860500000000, 0.0005525500000000, -0.0000502400000000 ] - [ -0.0031973200000000, 0.0000611100000000, 0.0023145500000000 ] - [ 0.0005770700000000, -0.0008273500000000, 0.0019559000000000 ] - [ -0.0031973200000000, -0.0000611100000000, 0.0023145500000000 ] - [ 0.0005770700000000, 0.0008273500000000, 0.0019559000000000 ] - [ -0.0346408500000000, -0.0983090900000000, 0.1494286900000000 ] - [ 0.0011100800000000, -0.0002381800000000, 0.0009637500000000 ] - [ -0.0346408500000000, 0.0983090900000000, 0.1494286900000000 ] - [ 0.0011100800000000, 0.0002381800000000, 0.0009637500000000 ] - [ -0.1286497600000000, 0.0000000000000000, 0.3430608800000000 ] - [ 0.0019672700000000, 0.0000000000000000, 0.0012936700000000 ] - [ 0.0019588600000000, -0.0052619100000000, 0.0029429200000000 ] - [ 0.0019588600000000, 0.0052619100000000, 0.0029429200000000 ] - [ -0.0000835700000000, 0.0000000000000000, -0.0000546300000000 ] - [ 0.0002889500000000, 0.0000000000000000, 0.0000473000000000 ] - [ 0.0004316100000000, 0.0004640300000000, 0.0023816600000000 ] - [ 0.0004316100000000, -0.0004640300000000, 0.0023816600000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0106782900000000, 0.0000000000000000, -0.0025388600000000 ] - [ 0.0001878700000000, 0.0000000000000000, 0.0003916700000000 ] - [ 0.0017991100000000, 0.0002284600000000, 0.0000717900000000 ] - [ -0.0056795900000000, 0.0128813800000000, 0.0105987800000000 ] - [ 0.0017991100000000, -0.0002284600000000, 0.0000717900000000 ] - [ -0.0056795900000000, -0.0128813800000000, 0.0105987800000000 ] - [ 0.0039422500000000, 0.0118286000000000, -0.0249737400000000 ] - [ 0.0035540200000000, -0.0002618400000000, -0.0011384100000000 ] - [ 0.0039422500000000, -0.0118286000000000, -0.0249737400000000 ] - [ 0.0035540200000000, 0.0002618400000000, -0.0011384100000000 ] - [ -0.0029350300000000, -0.0005614400000000, -0.0010005200000000 ] - [ 0.0014550900000000, -0.0002421500000000, 0.0002206900000000 ] - [ -0.0029350300000000, 0.0005614400000000, -0.0010005200000000 ] - [ 0.0014550900000000, 0.0002421500000000, 0.0002206900000000 ] - [ 0.0003925100000000, 0.0000000000000000, -0.0005304200000000 ] - [ -0.0099972700000000, 0.0000000000000000, -0.0240743900000000 ] - [ 0.0000770900000000, 0.0007139500000000, -0.0008354900000000 ] - [ 0.0000770900000000, -0.0007139500000000, -0.0008354900000000 ] - [ 0.0000167300000000, 0.0000000000000000, 0.0002059600000000 ] - [ -0.0000808300000000, 0.0000000000000000, 0.0003449700000000 ] - [ 0.0020443600000000, -0.0019158800000000, 0.0010330500000000 ] - [ 0.0020443600000000, 0.0019158800000000, 0.0010330500000000 ] - [ -0.0006947800000000, -0.0003015000000000, -0.0037282800000000 ] - [ 0.0003919500000000, -0.0000744000000000, -0.0003048700000000 ] - [ -0.0006947800000000, 0.0003015000000000, -0.0037282800000000 ] - [ 0.0003919500000000, 0.0000744000000000, -0.0003048700000000 ] - [ 0.0004441200000000, 0.0003152300000000, 0.0004151900000000 ] - [ 0.0002640900000000, 0.0001009800000000, 0.0002281600000000 ] - [ 0.0004441200000000, -0.0003152300000000, 0.0004151900000000 ] - [ 0.0002640900000000, -0.0001009800000000, 0.0002281600000000 ] - [ -0.1874131300000000, 0.0000000000000000, 0.6328381800000000 ] - [ 0.0014007300000000, 0.0000000000000000, 0.0026533200000000 ] - [ -0.0018960800000000, -0.0034193900000000, 0.0070568100000000 ] - [ -0.0018960800000000, 0.0034193900000000, 0.0070568100000000 ] - [ 0.0001237000000000, 0.0000000000000000, -0.0005348300000000 ] - [ 0.0002339600000000, 0.0000000000000000, 0.0001299300000000 ] - [ -0.0023918900000000, -0.0015129400000000, 0.0030513300000000 ] - [ -0.0023918900000000, 0.0015129400000000, 0.0030513300000000 ] - [ 0.0004108500000000, 0.0000000000000000, 0.0012466600000000 ] - [ -0.0005535600000000, 0.0000000000000000, 0.0006468000000000 ] - [ -0.0014135400000000, 0.0000000000000000, 0.0012237600000000 ] - [ 0.0049189400000000, 0.0000000000000000, 0.0235252600000000 ] - [ 0.0000858700000000, -0.0010449700000000, 0.0008295500000000 ] - [ 0.0000858700000000, 0.0010449700000000, 0.0008295500000000 ] - [ 0.0001173400000000, 0.0000000000000000, -0.0005946400000000 ] - [ 0.0003444100000000, 0.0000000000000000, -0.0006260900000000 ] - [ -0.0054335800000000, 0.0026333600000000, 0.0026945400000000 ] - [ -0.0054335800000000, -0.0026333600000000, 0.0026945400000000 ] - [ 0.0015203900000000, 0.0018085000000000, 0.0069429900000000 ] - [ -0.0007685600000000, -0.0000537200000000, 0.0002351000000000 ] - [ 0.0015203900000000, -0.0018085000000000, 0.0069429900000000 ] - [ -0.0007685600000000, 0.0000537200000000, 0.0002351000000000 ] - [ 0.0014814200000000, -0.0025115400000000, 0.0021883200000000 ] - [ -0.0015089300000000, -0.0002493600000000, -0.0000172100000000 ] - [ 0.0014814200000000, 0.0025115400000000, 0.0021883200000000 ] - [ -0.0015089300000000, 0.0002493600000000, -0.0000172100000000 ] - [ 0.0023560500000000, 0.0022570300000000, 0.0002364600000000 ] - [ 0.0003343600000000, 0.0001865700000000, 0.0000529800000000 ] - [ 0.0023560500000000, -0.0022570300000000, 0.0002364600000000 ] - [ 0.0003343600000000, -0.0001865700000000, 0.0000529800000000 ] - [ 0.0005402300000000, -0.0007927300000000, -0.0005219200000000 ] - [ -0.0003520300000000, -0.0002012100000000, -0.0001622300000000 ] - [ 0.0005402300000000, 0.0007927300000000, -0.0005219200000000 ] - [ -0.0003520300000000, 0.0002012100000000, -0.0001622300000000 ] - [ 0.0039248200000000, -0.0001225100000000, -0.0020929700000000 ] - [ -0.0013339900000000, 0.0007551600000000, -0.0017367400000000 ] - [ 0.0039248200000000, 0.0001225100000000, -0.0020929700000000 ] - [ -0.0013339900000000, -0.0007551600000000, -0.0017367400000000 ] - [ 0.0358832600000000, 0.1037884500000000, -0.1502556500000000 ] - [ -0.0010382600000000, 0.0009870600000000, -0.0007486000000000 ] - [ 0.0358832600000000, -0.1037884500000000, -0.1502556500000000 ] - [ -0.0010382600000000, -0.0009870600000000, -0.0007486000000000 ] - [ 0.1152488400000000, 0.0000000000000000, -0.3188833700000000 ] - [ -0.0017830800000000, 0.0000000000000000, -0.0010170800000000 ] - [ -0.0019486100000000, 0.0050609900000000, -0.0026499300000000 ] - [ -0.0019486100000000, -0.0050609900000000, -0.0026499300000000 ] - [ 0.0002655700000000, 0.0000000000000000, -0.0002127200000000 ] - [ -0.0004743400000000, 0.0000000000000000, -0.0003220100000000 ] - [ -0.0004291400000000, -0.0002794600000000, -0.0026252500000000 ] - [ -0.0004291400000000, 0.0002794600000000, -0.0026252500000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0028624800000000, 0.0000000000000000, -0.0002173500000000 ] - [ -0.0006662400000000, 0.0000000000000000, 0.0002262700000000 ] - [ -0.0003640800000000, -0.0011996300000000, -0.0008944000000000 ] - [ -0.0003551700000000, 0.0011987800000000, 0.0009022500000000 ] - [ -0.0003640800000000, 0.0011996300000000, -0.0008944000000000 ] - [ -0.0003551700000000, -0.0011987800000000, 0.0009022500000000 ] - [ -0.0052980300000000, -0.0013036300000000, -0.0008652000000000 ] - [ -0.0056857200000000, 0.0009108600000000, 0.0008581200000000 ] - [ -0.0052980300000000, 0.0013036300000000, -0.0008652000000000 ] - [ -0.0056857200000000, -0.0009108600000000, 0.0008581200000000 ] - [ 0.0021670400000000, -0.0034343800000000, -0.0016409000000000 ] - [ 0.0025401300000000, 0.0038219100000000, 0.0016279200000000 ] - [ 0.0021670400000000, 0.0034343800000000, -0.0016409000000000 ] - [ 0.0025401300000000, -0.0038219100000000, 0.0016279200000000 ] - [ -0.0007132100000000, 0.0000000000000000, -0.0006561700000000 ] - [ -0.0010630100000000, 0.0000000000000000, 0.0003008800000000 ] - [ 0.0007953600000000, 0.0001733900000000, -0.0001800500000000 ] - [ 0.0007953600000000, -0.0001733900000000, -0.0001800500000000 ] - [ -0.0000719400000000, 0.0000000000000000, 0.0001114300000000 ] - [ 0.0002813200000000, 0.0000000000000000, 0.0002498300000000 ] - [ -0.0003725800000000, -0.0001757500000000, 0.0001802000000000 ] - [ -0.0003725800000000, 0.0001757500000000, 0.0001802000000000 ] - [ -0.0013248300000000, -0.0049620000000000, 0.0007788800000000 ] - [ -0.0013255500000000, 0.0049297800000000, -0.0011902900000000 ] - [ -0.0013248300000000, 0.0049620000000000, 0.0007788800000000 ] - [ -0.0013255500000000, -0.0049297800000000, -0.0011902900000000 ] - [ -0.0004904200000000, -0.0002739100000000, 0.0004746700000000 ] - [ -0.0005643700000000, 0.0003473600000000, -0.0000853000000000 ] - [ -0.0004904200000000, 0.0002739100000000, 0.0004746700000000 ] - [ -0.0005643700000000, -0.0003473600000000, -0.0000853000000000 ] - [ -0.0008461900000000, 0.0000000000000000, -0.0001698500000000 ] - [ -0.0007365200000000, 0.0000000000000000, 0.0006248400000000 ] - [ 0.0039193800000000, -0.0000540600000000, 0.0002315800000000 ] - [ 0.0039193800000000, 0.0000540600000000, 0.0002315800000000 ] - [ -0.0003408100000000, 0.0000000000000000, 0.0003243200000000 ] - [ -0.0004583900000000, 0.0000000000000000, -0.0007899500000000 ] - [ -0.0037215700000000, 0.0000584800000000, -0.0002324000000000 ] - [ -0.0037215700000000, -0.0000584800000000, -0.0002324000000000 ] - [ -0.0337796200000000, 0.0000000000000000, -0.0003672500000000 ] - [ 0.0010241900000000, 0.0000000000000000, 0.0005075200000000 ] - [ 0.0020586100000000, 0.0000000000000000, 0.0006789400000000 ] - [ 0.0031625600000000, 0.0000000000000000, 0.0003695600000000 ] - [ -0.0026864500000000, -0.0005436600000000, 0.0005261400000000 ] - [ -0.0026864500000000, 0.0005436600000000, 0.0005261400000000 ] - [ 0.0001085300000000, 0.0000000000000000, -0.0005859200000000 ] - [ -0.0009894700000000, 0.0000000000000000, -0.0004640400000000 ] - [ 0.0021257600000000, 0.0005471600000000, -0.0005250500000000 ] - [ 0.0021257600000000, -0.0005471600000000, -0.0005250500000000 ] - [ 0.0092172900000000, 0.0127131400000000, -0.0026894400000000 ] - [ 0.0093104300000000, -0.0127211600000000, 0.0026888500000000 ] - [ 0.0092172900000000, -0.0127131400000000, -0.0026894400000000 ] - [ 0.0093104300000000, 0.0127211600000000, 0.0026888500000000 ] - [ 0.0015967400000000, 0.0013709500000000, 0.0008404500000000 ] - [ 0.0014019900000000, -0.0011742000000000, -0.0008872800000000 ] - [ 0.0015967400000000, -0.0013709500000000, 0.0008404500000000 ] - [ 0.0014019900000000, 0.0011742000000000, -0.0008872800000000 ] - [ 0.0025203500000000, 0.0007773300000000, -0.0011047300000000 ] - [ 0.0033145300000000, -0.0006989800000000, 0.0009044300000000 ] - [ 0.0025203500000000, -0.0007773300000000, -0.0011047300000000 ] - [ 0.0033145300000000, 0.0006989800000000, 0.0009044300000000 ] - [ 0.0000460300000000, 0.0004186800000000, -0.0005341800000000 ] - [ -0.0000321000000000, -0.0012066300000000, 0.0003308400000000 ] - [ 0.0000460300000000, -0.0004186800000000, -0.0005341800000000 ] - [ -0.0000321000000000, 0.0012066300000000, 0.0003308400000000 ] - [ -0.0018356300000000, 0.0002191300000000, 0.0012551800000000 ] - [ -0.0026217400000000, -0.0003028200000000, -0.0010523800000000 ] - [ -0.0018356300000000, -0.0002191300000000, 0.0012551800000000 ] - [ -0.0026217400000000, 0.0003028200000000, -0.0010523800000000 ] - [ 0.0012001400000000, 0.0009440900000000, 0.0005713000000000 ] - [ 0.0012721600000000, -0.0001522900000000, -0.0003624700000000 ] - [ 0.0012001400000000, -0.0009440900000000, 0.0005713000000000 ] - [ 0.0012721600000000, 0.0001522900000000, -0.0003624700000000 ] - [ 0.0001167900000000, 0.0000000000000000, -0.0004955000000000 ] - [ 0.0003643400000000, 0.0000000000000000, 0.0008336700000000 ] - [ -0.0015476000000000, -0.0001238600000000, 0.0001706100000000 ] - [ -0.0015476000000000, 0.0001238600000000, 0.0001706100000000 ] - [ 0.0005329300000000, 0.0000000000000000, -0.0006194700000000 ] - [ 0.0002965800000000, 0.0000000000000000, 0.0002826600000000 ] - [ 0.0012270500000000, 0.0001196700000000, -0.0001695500000000 ] - [ 0.0012270500000000, -0.0001196700000000, -0.0001695500000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0033343800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002386600000000 ] - [ 0.0002011500000000, 0.0002011500000000, -0.0008320200000000 ] - [ -0.0002011500000000, 0.0002011500000000, -0.0008320200000000 ] - [ 0.0002011500000000, -0.0002011500000000, -0.0008320200000000 ] - [ -0.0002011500000000, -0.0002011500000000, -0.0008320200000000 ] - [ 0.0006510700000000, -0.0007874900000000, 0.0009954600000000 ] - [ -0.0006510700000000, -0.0007874900000000, 0.0009954600000000 ] - [ 0.0006510700000000, 0.0007874900000000, 0.0009954600000000 ] - [ -0.0006510700000000, 0.0007874900000000, 0.0009954600000000 ] - [ -0.0007874900000000, 0.0006510700000000, 0.0009954600000000 ] - [ 0.0007874900000000, 0.0006510700000000, 0.0009954600000000 ] - [ -0.0007874900000000, -0.0006510700000000, 0.0009954600000000 ] - [ 0.0007874900000000, -0.0006510700000000, 0.0009954600000000 ] - [ -0.0001190000000000, 0.0000000000000000, -0.0004754600000000 ] - [ 0.0001190000000000, 0.0000000000000000, -0.0004754600000000 ] - [ 0.0000000000000000, -0.0001190000000000, -0.0004754600000000 ] - [ 0.0000000000000000, 0.0001190000000000, -0.0004754600000000 ] - [ -0.0000907800000000, 0.0000000000000000, 0.0001799500000000 ] - [ 0.0000907800000000, 0.0000000000000000, 0.0001799500000000 ] - [ 0.0000000000000000, -0.0000907800000000, 0.0001799500000000 ] - [ 0.0000000000000000, 0.0000907800000000, 0.0001799500000000 ] - [ 0.0007308300000000, 0.0007308300000000, 0.0037938000000000 ] - [ -0.0007308300000000, 0.0007308300000000, 0.0037938000000000 ] - [ 0.0007308300000000, -0.0007308300000000, 0.0037938000000000 ] - [ -0.0007308300000000, -0.0007308300000000, 0.0037938000000000 ] - [ 0.0000511100000000, 0.0000511100000000, 0.0000933900000000 ] - [ -0.0000511100000000, 0.0000511100000000, 0.0000933900000000 ] - [ 0.0000511100000000, -0.0000511100000000, 0.0000933900000000 ] - [ -0.0000511100000000, -0.0000511100000000, 0.0000933900000000 ] - [ -0.0010900300000000, 0.0000000000000000, -0.0014828500000000 ] - [ 0.0010900300000000, 0.0000000000000000, -0.0014828500000000 ] - [ 0.0000000000000000, -0.0010900300000000, -0.0014828500000000 ] - [ 0.0000000000000000, 0.0010900300000000, -0.0014828500000000 ] - [ 0.0001354400000000, 0.0000000000000000, -0.0004057800000000 ] - [ -0.0001354400000000, 0.0000000000000000, -0.0004057800000000 ] - [ 0.0000000000000000, 0.0001354400000000, -0.0004057800000000 ] - [ 0.0000000000000000, -0.0001354400000000, -0.0004057800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0173311700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005255400000000 ] - [ -0.0003642800000000, 0.0000000000000000, 0.0003276100000000 ] - [ 0.0003642800000000, 0.0000000000000000, 0.0003276100000000 ] - [ 0.0000000000000000, -0.0003642800000000, 0.0003276100000000 ] - [ 0.0000000000000000, 0.0003642800000000, 0.0003276100000000 ] - [ 0.0004520700000000, 0.0000000000000000, -0.0007116200000000 ] - [ -0.0004520700000000, 0.0000000000000000, -0.0007116200000000 ] - [ 0.0000000000000000, 0.0004520700000000, -0.0007116200000000 ] - [ 0.0000000000000000, -0.0004520700000000, -0.0007116200000000 ] - [ -0.0034316000000000, -0.0034316000000000, -0.0018461200000000 ] - [ 0.0034316000000000, -0.0034316000000000, -0.0018461200000000 ] - [ -0.0034316000000000, 0.0034316000000000, -0.0018461200000000 ] - [ 0.0034316000000000, 0.0034316000000000, -0.0018461200000000 ] - [ -0.0001819800000000, -0.0001819800000000, -0.0004399100000000 ] - [ 0.0001819800000000, -0.0001819800000000, -0.0004399100000000 ] - [ -0.0001819800000000, 0.0001819800000000, -0.0004399100000000 ] - [ 0.0001819800000000, 0.0001819800000000, -0.0004399100000000 ] - [ -0.0004894300000000, 0.0000064800000000, 0.0000333200000000 ] - [ 0.0004894300000000, 0.0000064800000000, 0.0000333200000000 ] - [ -0.0004894300000000, -0.0000064800000000, 0.0000333200000000 ] - [ 0.0004894300000000, -0.0000064800000000, 0.0000333200000000 ] - [ 0.0000064800000000, -0.0004894300000000, 0.0000333200000000 ] - [ -0.0000064800000000, -0.0004894300000000, 0.0000333200000000 ] - [ 0.0000064800000000, 0.0004894300000000, 0.0000333200000000 ] - [ -0.0000064800000000, 0.0004894300000000, 0.0000333200000000 ] - [ 0.0002367900000000, 0.0004903400000000, 0.0006404700000000 ] - [ -0.0002367900000000, 0.0004903400000000, 0.0006404700000000 ] - [ 0.0002367900000000, -0.0004903400000000, 0.0006404700000000 ] - [ -0.0002367900000000, -0.0004903400000000, 0.0006404700000000 ] - [ 0.0004903400000000, 0.0002367900000000, 0.0006404700000000 ] - [ -0.0004903400000000, 0.0002367900000000, 0.0006404700000000 ] - [ 0.0004903400000000, -0.0002367900000000, 0.0006404700000000 ] - [ -0.0004903400000000, -0.0002367900000000, 0.0006404700000000 ] - [ -0.0002212400000000, 0.0000000000000000, 0.0017373600000000 ] - [ 0.0002212400000000, 0.0000000000000000, 0.0017373600000000 ] - [ 0.0000000000000000, -0.0002212400000000, 0.0017373600000000 ] - [ 0.0000000000000000, 0.0002212400000000, 0.0017373600000000 ] - [ 0.0000828000000000, 0.0000000000000000, 0.0000313000000000 ] - [ -0.0000828000000000, 0.0000000000000000, 0.0000313000000000 ] - [ 0.0000000000000000, 0.0000828000000000, 0.0000313000000000 ] - [ 0.0000000000000000, -0.0000828000000000, 0.0000313000000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0043035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002129400000000 ] - [ -0.0001932100000000, -0.0001932100000000, 0.0008202900000000 ] - [ 0.0001932100000000, -0.0001932100000000, 0.0008202900000000 ] - [ -0.0001932100000000, 0.0001932100000000, 0.0008202900000000 ] - [ 0.0001932100000000, 0.0001932100000000, 0.0008202900000000 ] - [ -0.0002735700000000, 0.0004174500000000, -0.0009782000000000 ] - [ 0.0002735700000000, 0.0004174500000000, -0.0009782000000000 ] - [ -0.0002735700000000, -0.0004174500000000, -0.0009782000000000 ] - [ 0.0002735700000000, -0.0004174500000000, -0.0009782000000000 ] - [ 0.0004174500000000, -0.0002735700000000, -0.0009782000000000 ] - [ -0.0004174500000000, -0.0002735700000000, -0.0009782000000000 ] - [ 0.0004174500000000, 0.0002735700000000, -0.0009782000000000 ] - [ -0.0004174500000000, 0.0002735700000000, -0.0009782000000000 ] - [ 0.0005016600000000, 0.0000000000000000, 0.0000808100000000 ] - [ -0.0005016600000000, 0.0000000000000000, 0.0000808100000000 ] - [ 0.0000000000000000, 0.0005016600000000, 0.0000808100000000 ] - [ 0.0000000000000000, -0.0005016600000000, 0.0000808100000000 ] - [ -0.0002908200000000, 0.0000000000000000, 0.0002067100000000 ] - [ 0.0002908200000000, 0.0000000000000000, 0.0002067100000000 ] - [ 0.0000000000000000, -0.0002908200000000, 0.0002067100000000 ] - [ 0.0000000000000000, 0.0002908200000000, 0.0002067100000000 ] - [ -0.0008094200000000, -0.0008094200000000, -0.0041761300000000 ] - [ 0.0008094200000000, -0.0008094200000000, -0.0041761300000000 ] - [ -0.0008094200000000, 0.0008094200000000, -0.0041761300000000 ] - [ 0.0008094200000000, 0.0008094200000000, -0.0041761300000000 ] - [ 0.0000749700000000, 0.0000749700000000, 0.0002891600000000 ] - [ -0.0000749700000000, 0.0000749700000000, 0.0002891600000000 ] - [ 0.0000749700000000, -0.0000749700000000, 0.0002891600000000 ] - [ -0.0000749700000000, -0.0000749700000000, 0.0002891600000000 ] - [ 0.0009147000000000, 0.0000000000000000, 0.0020080800000000 ] - [ -0.0009147000000000, 0.0000000000000000, 0.0020080800000000 ] - [ 0.0000000000000000, 0.0009147000000000, 0.0020080800000000 ] - [ 0.0000000000000000, -0.0009147000000000, 0.0020080800000000 ] - [ 0.0000224500000000, 0.0000000000000000, -0.0001059600000000 ] - [ -0.0000224500000000, 0.0000000000000000, -0.0001059600000000 ] - [ 0.0000000000000000, 0.0000224500000000, -0.0001059600000000 ] - [ 0.0000000000000000, -0.0000224500000000, -0.0001059600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0166791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004705000000000 ] - [ -0.0007844800000000, 0.0000000000000000, 0.0007413300000000 ] - [ 0.0007844800000000, 0.0000000000000000, 0.0007413300000000 ] - [ 0.0000000000000000, -0.0007844800000000, 0.0007413300000000 ] - [ 0.0000000000000000, 0.0007844800000000, 0.0007413300000000 ] - [ 0.0007015000000000, 0.0000000000000000, -0.0003598400000000 ] - [ -0.0007015000000000, 0.0000000000000000, -0.0003598400000000 ] - [ 0.0000000000000000, 0.0007015000000000, -0.0003598400000000 ] - [ 0.0000000000000000, -0.0007015000000000, -0.0003598400000000 ] - [ 0.0032478400000000, 0.0032478400000000, 0.0018868500000000 ] - [ -0.0032478400000000, 0.0032478400000000, 0.0018868500000000 ] - [ 0.0032478400000000, -0.0032478400000000, 0.0018868500000000 ] - [ -0.0032478400000000, -0.0032478400000000, 0.0018868500000000 ] - [ 0.0003230400000000, 0.0003230400000000, 0.0004188900000000 ] - [ -0.0003230400000000, 0.0003230400000000, 0.0004188900000000 ] - [ 0.0003230400000000, -0.0003230400000000, 0.0004188900000000 ] - [ -0.0003230400000000, -0.0003230400000000, 0.0004188900000000 ] - [ -0.0002288600000000, 0.0000616600000000, -0.0002614900000000 ] - [ 0.0002288600000000, 0.0000616600000000, -0.0002614900000000 ] - [ -0.0002288600000000, -0.0000616600000000, -0.0002614900000000 ] - [ 0.0002288600000000, -0.0000616600000000, -0.0002614900000000 ] - [ 0.0000616600000000, -0.0002288600000000, -0.0002614900000000 ] - [ -0.0000616600000000, -0.0002288600000000, -0.0002614900000000 ] - [ 0.0000616600000000, 0.0002288600000000, -0.0002614900000000 ] - [ -0.0000616600000000, 0.0002288600000000, -0.0002614900000000 ] - [ 0.0004854700000000, -0.0005507800000000, -0.0004140900000000 ] - [ -0.0004854700000000, -0.0005507800000000, -0.0004140900000000 ] - [ 0.0004854700000000, 0.0005507800000000, -0.0004140900000000 ] - [ -0.0004854700000000, 0.0005507800000000, -0.0004140900000000 ] - [ -0.0005507800000000, 0.0004854700000000, -0.0004140900000000 ] - [ 0.0005507800000000, 0.0004854700000000, -0.0004140900000000 ] - [ -0.0005507800000000, -0.0004854700000000, -0.0004140900000000 ] - [ 0.0005507800000000, -0.0004854700000000, -0.0004140900000000 ] - [ 0.0001035600000000, 0.0000000000000000, -0.0015152900000000 ] - [ -0.0001035600000000, 0.0000000000000000, -0.0015152900000000 ] - [ 0.0000000000000000, 0.0001035600000000, -0.0015152900000000 ] - [ 0.0000000000000000, -0.0001035600000000, -0.0015152900000000 ] - [ 0.0000633700000000, 0.0000000000000000, -0.0002521200000000 ] - [ -0.0000633700000000, 0.0000000000000000, -0.0002521200000000 ] - [ 0.0000000000000000, 0.0000633700000000, -0.0002521200000000 ] - [ 0.0000000000000000, -0.0000633700000000, -0.0002521200000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014211300000000, 0.0000000000000000, 0.0001856600000000 ] - [ 0.0002741300000000, 0.0000000000000000, 0.0001479400000000 ] - [ 0.0025589700000000, 0.0012706200000000, 0.0001995600000000 ] - [ -0.0018791500000000, -0.0005311200000000, -0.0001472200000000 ] - [ 0.0025589700000000, -0.0012706200000000, 0.0001995600000000 ] - [ -0.0018791500000000, 0.0005311200000000, -0.0001472200000000 ] - [ -0.0043362800000000, 0.0019035800000000, 0.0003006400000000 ] - [ 0.0194906000000000, -0.0020102000000000, -0.0014026500000000 ] - [ -0.0043362800000000, -0.0019035800000000, 0.0003006400000000 ] - [ 0.0194906000000000, 0.0020102000000000, -0.0014026500000000 ] - [ -0.0023639600000000, 0.0001590000000000, -0.0000349900000000 ] - [ 0.0007524200000000, -0.0035520800000000, -0.0017674300000000 ] - [ -0.0023639600000000, -0.0001590000000000, -0.0000349900000000 ] - [ 0.0007524200000000, 0.0035520800000000, -0.0017674300000000 ] - [ 0.0882200000000000, 0.0000000000000000, -0.1558975500000000 ] - [ -0.0010053700000000, 0.0000000000000000, -0.0007693700000000 ] - [ -0.0004463800000000, 0.0004005000000000, 0.0000476700000000 ] - [ -0.0004463800000000, -0.0004005000000000, 0.0000476700000000 ] - [ -0.0000509400000000, 0.0000000000000000, 0.0001669500000000 ] - [ -0.0000393900000000, 0.0000000000000000, 0.0001184400000000 ] - [ 0.0013555600000000, 0.0000928600000000, 0.0012314300000000 ] - [ 0.0013555600000000, -0.0000928600000000, 0.0012314300000000 ] - [ -0.0011804700000000, -0.0008004400000000, 0.0001003000000000 ] - [ -0.0032662700000000, -0.0007745500000000, -0.0005362900000000 ] - [ -0.0011804700000000, 0.0008004400000000, 0.0001003000000000 ] - [ -0.0032662700000000, 0.0007745500000000, -0.0005362900000000 ] - [ 0.0000013000000000, 0.0003953700000000, 0.0001568400000000 ] - [ 0.0004626400000000, 0.0001393400000000, 0.0004040500000000 ] - [ 0.0000013000000000, -0.0003953700000000, 0.0001568400000000 ] - [ 0.0004626400000000, -0.0001393400000000, 0.0004040500000000 ] - [ -0.0008601100000000, 0.0000000000000000, 0.0010816700000000 ] - [ 0.0051764700000000, 0.0000000000000000, 0.0046047100000000 ] - [ -0.0016108200000000, -0.0004112700000000, 0.0007187200000000 ] - [ -0.0016108200000000, 0.0004112700000000, 0.0007187200000000 ] - [ -0.0002122200000000, 0.0000000000000000, 0.0002151800000000 ] - [ 0.0004662500000000, 0.0000000000000000, 0.0006808500000000 ] - [ -0.0020998300000000, 0.0012607300000000, -0.0023070800000000 ] - [ -0.0020998300000000, -0.0012607300000000, -0.0023070800000000 ] - [ 0.0026195800000000, 0.0000000000000000, -0.0002794300000000 ] - [ -0.0004409700000000, 0.0000000000000000, 0.0003656300000000 ] - [ -0.1315869900000000, 0.0000000000000000, 0.1732572900000000 ] - [ 0.0039048900000000, 0.0000000000000000, 0.0002483800000000 ] - [ 0.0017657200000000, -0.0014072100000000, 0.0005897600000000 ] - [ 0.0017657200000000, 0.0014072100000000, 0.0005897600000000 ] - [ 0.0002878500000000, 0.0000000000000000, -0.0003909700000000 ] - [ 0.0001190100000000, 0.0000000000000000, -0.0004558800000000 ] - [ 0.0022548900000000, 0.0059911800000000, -0.0060711700000000 ] - [ 0.0022548900000000, -0.0059911800000000, -0.0060711700000000 ] - [ 0.0018012500000000, -0.0000767300000000, -0.0001002900000000 ] - [ 0.0056826200000000, 0.0139867500000000, 0.0004048100000000 ] - [ 0.0018012500000000, 0.0000767300000000, -0.0001002900000000 ] - [ 0.0056826200000000, -0.0139867500000000, 0.0004048100000000 ] - [ 0.0013981000000000, -0.0006296900000000, 0.0000748500000000 ] - [ -0.0025319200000000, 0.0005006000000000, 0.0003021700000000 ] - [ 0.0013981000000000, 0.0006296900000000, 0.0000748500000000 ] - [ -0.0025319200000000, -0.0005006000000000, 0.0003021700000000 ] - [ 0.0004143100000000, -0.0005949700000000, 0.0002575200000000 ] - [ -0.0006512700000000, -0.0064675800000000, 0.0026624000000000 ] - [ 0.0004143100000000, 0.0005949700000000, 0.0002575200000000 ] - [ -0.0006512700000000, 0.0064675800000000, 0.0026624000000000 ] - [ 0.0005630900000000, -0.0002898000000000, -0.0003564900000000 ] - [ -0.0006669500000000, 0.0004384200000000, -0.0006971600000000 ] - [ 0.0005630900000000, 0.0002898000000000, -0.0003564900000000 ] - [ -0.0006669500000000, -0.0004384200000000, -0.0006971600000000 ] - [ 0.0017628700000000, 0.0002240500000000, -0.0002644900000000 ] - [ 0.0002837600000000, 0.0002958800000000, 0.0007858400000000 ] - [ 0.0017628700000000, -0.0002240500000000, -0.0002644900000000 ] - [ 0.0002837600000000, -0.0002958800000000, 0.0007858400000000 ] - [ 0.0008711100000000, 0.0004208600000000, -0.0004000100000000 ] - [ -0.0045395300000000, 0.0026357700000000, 0.0001186100000000 ] - [ 0.0008711100000000, -0.0004208600000000, -0.0004000100000000 ] - [ -0.0045395300000000, -0.0026357700000000, 0.0001186100000000 ] - [ 0.0010761700000000, 0.0000000000000000, -0.0001218600000000 ] - [ 0.0004427400000000, 0.0000000000000000, -0.0113149900000000 ] - [ 0.0007577800000000, 0.0002251400000000, -0.0003095500000000 ] - [ 0.0007577800000000, -0.0002251400000000, -0.0003095500000000 ] - [ 0.0004900000000000, 0.0000000000000000, -0.0003355400000000 ] - [ -0.0008664300000000, 0.0000000000000000, -0.0007420200000000 ] - [ 0.0000990700000000, -0.0006716700000000, 0.0006571000000000 ] - [ 0.0000990700000000, 0.0006716700000000, 0.0006571000000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014210400000000, 0.0000000000000000, -0.0006303000000000 ] - [ -0.0002748200000000, 0.0000000000000000, 0.0003018500000000 ] - [ -0.0025487100000000, -0.0012791000000000, -0.0001885400000000 ] - [ 0.0018739600000000, 0.0005340700000000, 0.0001457200000000 ] - [ -0.0025487100000000, 0.0012791000000000, -0.0001885400000000 ] - [ 0.0018739600000000, -0.0005340700000000, 0.0001457200000000 ] - [ 0.0046941500000000, -0.0022783700000000, -0.0003020400000000 ] - [ -0.0198274700000000, 0.0013908300000000, 0.0012940600000000 ] - [ 0.0046941500000000, 0.0022783700000000, -0.0003020400000000 ] - [ -0.0198274700000000, -0.0013908300000000, 0.0012940600000000 ] - [ 0.0019964600000000, 0.0002013200000000, 0.0000332400000000 ] - [ -0.0003812100000000, 0.0039093800000000, 0.0017598900000000 ] - [ 0.0019964600000000, -0.0002013200000000, 0.0000332400000000 ] - [ -0.0003812100000000, -0.0039093800000000, 0.0017598900000000 ] - [ -0.0892836400000000, 0.0000000000000000, 0.1511095400000000 ] - [ 0.0006237100000000, 0.0000000000000000, 0.0003843800000000 ] - [ 0.0004455500000000, -0.0000178300000000, -0.0004329000000000 ] - [ 0.0004455500000000, 0.0000178300000000, -0.0004329000000000 ] - [ -0.0003299700000000, 0.0000000000000000, 0.0002181300000000 ] - [ 0.0004201800000000, 0.0000000000000000, 0.0002658300000000 ] - [ -0.0013618700000000, -0.0004794100000000, -0.0008438800000000 ] - [ -0.0013618700000000, 0.0004794100000000, -0.0008438800000000 ] - [ 0.0010518100000000, 0.0006699300000000, -0.0004821800000000 ] - [ 0.0033646000000000, 0.0006329900000000, 0.0001461700000000 ] - [ 0.0010518100000000, -0.0006699300000000, -0.0004821800000000 ] - [ 0.0033646000000000, -0.0006329900000000, 0.0001461700000000 ] - [ 0.0001223500000000, -0.0002712100000000, 0.0002261900000000 ] - [ -0.0005892700000000, -0.0000139600000000, -0.0000206300000000 ] - [ 0.0001223500000000, 0.0002712100000000, 0.0002261900000000 ] - [ -0.0005892700000000, 0.0000139600000000, -0.0000206300000000 ] - [ 0.0007020300000000, 0.0000000000000000, -0.0005702500000000 ] - [ -0.0050274900000000, 0.0000000000000000, -0.0040865100000000 ] - [ 0.0016147200000000, 0.0002539400000000, -0.0002063300000000 ] - [ 0.0016147200000000, -0.0002539400000000, -0.0002063300000000 ] - [ 0.0003663200000000, 0.0000000000000000, -0.0007249500000000 ] - [ -0.0006204000000000, 0.0000000000000000, -0.0011907000000000 ] - [ 0.0020558000000000, -0.0011087100000000, 0.0017864100000000 ] - [ 0.0020558000000000, 0.0011087100000000, 0.0017864100000000 ] - [ -0.0026003700000000, 0.0000000000000000, -0.0007075000000000 ] - [ 0.0004425600000000, 0.0000000000000000, 0.0006235900000000 ] - [ 0.1318246700000000, 0.0000000000000000, -0.1675382600000000 ] - [ -0.0027581600000000, 0.0000000000000000, 0.0008146900000000 ] - [ -0.0017624900000000, 0.0002374400000000, 0.0004701100000000 ] - [ -0.0017624900000000, -0.0002374400000000, 0.0004701100000000 ] - [ 0.0008766200000000, 0.0000000000000000, -0.0006689800000000 ] - [ -0.0012843500000000, 0.0000000000000000, -0.0006027100000000 ] - [ -0.0022952000000000, -0.0048917400000000, 0.0050621200000000 ] - [ -0.0022952000000000, 0.0048917400000000, 0.0050621200000000 ] - [ -0.0019407800000000, -0.0000603500000000, 0.0001113600000000 ] - [ -0.0054817900000000, -0.0139684700000000, -0.0003846600000000 ] - [ -0.0019407800000000, 0.0000603500000000, 0.0001113600000000 ] - [ -0.0054817900000000, 0.0139684700000000, -0.0003846600000000 ] - [ -0.0012532400000000, 0.0007752500000000, -0.0000879900000000 ] - [ 0.0023848100000000, -0.0003630900000000, -0.0003136200000000 ] - [ -0.0012532400000000, -0.0007752500000000, -0.0000879900000000 ] - [ 0.0023848100000000, 0.0003630900000000, -0.0003136200000000 ] - [ -0.0011063800000000, 0.0006593300000000, -0.0004948100000000 ] - [ 0.0014070000000000, 0.0065019500000000, -0.0028844800000000 ] - [ -0.0011063800000000, -0.0006593300000000, -0.0004948100000000 ] - [ 0.0014070000000000, -0.0065019500000000, -0.0028844800000000 ] - [ -0.0005030400000000, -0.0004163500000000, 0.0001209800000000 ] - [ 0.0006041100000000, -0.0011440100000000, 0.0004598800000000 ] - [ -0.0005030400000000, 0.0004163500000000, 0.0001209800000000 ] - [ 0.0006041100000000, 0.0011440100000000, 0.0004598800000000 ] - [ -0.0010558300000000, -0.0002821700000000, 0.0004964300000000 ] - [ -0.0009963700000000, -0.0003550900000000, -0.0005518000000000 ] - [ -0.0010558300000000, 0.0002821700000000, 0.0004964300000000 ] - [ -0.0009963700000000, 0.0003550900000000, -0.0005518000000000 ] - [ -0.0009292400000000, 0.0002894000000000, 0.0006337700000000 ] - [ 0.0045959500000000, -0.0019605600000000, 0.0000422000000000 ] - [ -0.0009292400000000, -0.0002894000000000, 0.0006337700000000 ] - [ 0.0045959500000000, 0.0019605600000000, 0.0000422000000000 ] - [ -0.0012122500000000, 0.0000000000000000, 0.0003397400000000 ] - [ -0.0003170200000000, 0.0000000000000000, 0.0115083200000000 ] - [ -0.0007600700000000, -0.0003629700000000, 0.0005283300000000 ] - [ -0.0007600700000000, 0.0003629700000000, 0.0005283300000000 ] - [ -0.0003534000000000, 0.0000000000000000, 0.0001143700000000 ] - [ 0.0007261500000000, 0.0000000000000000, 0.0005191800000000 ] - [ -0.0000890300000000, 0.0008056200000000, -0.0008627200000000 ] - [ -0.0000890300000000, -0.0008056200000000, -0.0008627200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000085100000000, 0.0012828400000000, -0.0002265900000000 ] - [ 0.0000002600000000, -0.0023663900000000, 0.0002272300000000 ] - [ 0.0024917800000000, -0.0018685000000000, -0.0028068300000000 ] - [ -0.0016787100000000, -0.0001366100000000, -0.0004304100000000 ] - [ -0.0025019300000000, -0.0018304300000000, 0.0028236900000000 ] - [ 0.0016879000000000, -0.0001318600000000, 0.0004322000000000 ] - [ 0.0050604200000000, 0.0023330100000000, -0.0008692500000000 ] - [ 0.0022615000000000, 0.0685097500000000, 0.0117663300000000 ] - [ -0.0046898000000000, 0.0026844000000000, 0.0008662000000000 ] - [ -0.0027487400000000, 0.0640670100000000, -0.0096453300000000 ] - [ -0.0007487900000000, -0.0011832300000000, 0.0001826500000000 ] - [ -0.0011963300000000, -0.0074991400000000, -0.0019157700000000 ] - [ 0.0003889400000000, -0.0015509600000000, -0.0001850600000000 ] - [ 0.0015574100000000, -0.0078637600000000, 0.0019105200000000 ] - [ -0.0006749600000000, 0.0355378400000000, 0.0015682700000000 ] - [ -0.0001909900000000, 0.0004753000000000, -0.0001921700000000 ] - [ 0.0005856700000000, -0.0001464900000000, -0.0005460400000000 ] - [ -0.0005873700000000, -0.0005260300000000, 0.0001655500000000 ] - [ -0.0001910500000000, -0.0006005300000000, 0.0001913400000000 ] - [ 0.0001906800000000, -0.0003064400000000, 0.0001912400000000 ] - [ 0.0011063100000000, 0.0001089100000000, 0.0004479300000000 ] - [ -0.0011093400000000, 0.0004950800000000, -0.0000562900000000 ] - [ 0.0001502800000000, 0.0006306900000000, -0.0003699000000000 ] - [ -0.0035947700000000, 0.0024374100000000, -0.0008533300000000 ] - [ -0.0002686000000000, 0.0007468100000000, -0.0000164400000000 ] - [ 0.0037264300000000, 0.0025419800000000, 0.0004701300000000 ] - [ -0.0001688900000000, -0.0009410200000000, 0.0003737900000000 ] - [ 0.0007158700000000, -0.0013742700000000, 0.0005262000000000 ] - [ 0.0002920100000000, -0.0010629000000000, 0.0000099700000000 ] - [ -0.0008394400000000, -0.0014968800000000, -0.0001424700000000 ] - [ -0.0000769000000000, 0.0040460200000000, 0.0002521500000000 ] - [ 0.0000190500000000, 0.0162309800000000, 0.0001788200000000 ] - [ -0.0016282800000000, 0.0000861400000000, 0.0001682200000000 ] - [ 0.0016323600000000, 0.0002375500000000, 0.0003339200000000 ] - [ 0.0000789500000000, -0.0030321400000000, -0.0002560100000000 ] - [ -0.0000794200000000, -0.0063287900000000, -0.0002562100000000 ] - [ 0.0141430200000000, -0.0002772500000000, 0.0052204500000000 ] - [ -0.0140769700000000, -0.0004659800000000, -0.0057097400000000 ] - [ -0.0000063600000000, -0.0026877400000000, -0.0004923300000000 ] - [ -0.0000002400000000, 0.0021267900000000, 0.0004926400000000 ] - [ 0.0003693000000000, -0.2427778100000000, -0.0032844900000000 ] - [ 0.0005842300000000, -0.0031999600000000, 0.0005284600000000 ] - [ -0.0022451600000000, 0.0011819800000000, 0.0004840700000000 ] - [ 0.0022529500000000, 0.0023458000000000, 0.0005771600000000 ] - [ 0.0005819500000000, 0.0027732400000000, -0.0005310000000000 ] - [ -0.0005810300000000, 0.0016251600000000, -0.0005309500000000 ] - [ 0.0045466900000000, 0.0028486700000000, -0.0054578600000000 ] - [ -0.0045699000000000, 0.0017027200000000, 0.0044125800000000 ] - [ -0.0005558400000000, -0.0009443700000000, 0.0002168000000000 ] - [ 0.0143609000000000, 0.0161351100000000, 0.0011367600000000 ] - [ 0.0004102300000000, -0.0007971900000000, -0.0002122400000000 ] - [ -0.0140196500000000, 0.0161133400000000, -0.0011372500000000 ] - [ -0.0010351800000000, 0.0013742800000000, -0.0000808000000000 ] - [ -0.0000575800000000, 0.0036363900000000, 0.0012428400000000 ] - [ 0.0011721400000000, 0.0012352900000000, 0.0000756900000000 ] - [ -0.0000741200000000, 0.0034939900000000, -0.0012404300000000 ] - [ -0.0058420500000000, -0.0008336400000000, 0.0008231400000000 ] - [ -0.0119390900000000, 0.0186510300000000, -0.0107769500000000 ] - [ 0.0050983100000000, -0.0008858700000000, -0.0010432300000000 ] - [ 0.0125114300000000, 0.0182809400000000, 0.0103838600000000 ] - [ 0.0002634200000000, 0.0015055400000000, -0.0007065400000000 ] - [ -0.0004381800000000, 0.0044140800000000, -0.0016155900000000 ] - [ -0.0002018500000000, 0.0022222200000000, 0.0004752800000000 ] - [ 0.0003758900000000, 0.0051344000000000, 0.0013844700000000 ] - [ 0.0012112200000000, 0.0003091800000000, -0.0003031300000000 ] - [ 0.0010569700000000, 0.0005178900000000, 0.0008625100000000 ] - [ -0.0004987600000000, 0.0003739000000000, 0.0005351600000000 ] - [ -0.0017736800000000, 0.0005849900000000, -0.0006281100000000 ] - [ -0.0011763600000000, -0.0020464400000000, 0.0008010600000000 ] - [ 0.0027494800000000, -0.0055784400000000, 0.0105644300000000 ] - [ 0.0011105400000000, -0.0027601100000000, -0.0005697000000000 ] - [ -0.0026414500000000, -0.0062434800000000, -0.0102848600000000 ] - [ -0.0000738800000000, -0.0012940700000000, 0.0001153500000000 ] - [ 0.0000499300000000, -0.0065124600000000, 0.0002280000000000 ] - [ 0.0006881400000000, -0.0005088400000000, -0.0000320400000000 ] - [ -0.0006921700000000, -0.0003538300000000, 0.0002620300000000 ] - [ 0.0000709200000000, 0.0012587200000000, -0.0001141400000000 ] - [ -0.0000722100000000, 0.0023567000000000, -0.0001145500000000 ] - [ -0.0030339400000000, 0.0019523100000000, -0.0048421500000000 ] - [ 0.0030179600000000, 0.0018074500000000, 0.0045670600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005535300000000, 0.0000000000000000, -0.0001674800000000 ] - [ 0.0000062600000000, 0.0000000000000000, 0.0000410800000000 ] - [ 0.0006261700000000, -0.0003405500000000, -0.0020294900000000 ] - [ -0.0003432500000000, 0.0000446300000000, -0.0004109800000000 ] - [ 0.0006261700000000, 0.0003405500000000, -0.0020294900000000 ] - [ -0.0003432500000000, -0.0000446300000000, -0.0004109800000000 ] - [ 0.0020637400000000, -0.0001771500000000, 0.0020747200000000 ] - [ -0.0019968500000000, 0.0225216300000000, 0.0255589000000000 ] - [ 0.0020637400000000, 0.0001771500000000, 0.0020747200000000 ] - [ -0.0019968500000000, -0.0225216300000000, 0.0255589000000000 ] - [ -0.0000367100000000, 0.0002087900000000, 0.0001975800000000 ] - [ -0.0001755700000000, 0.0003474700000000, 0.0002923400000000 ] - [ -0.0000367100000000, -0.0002087900000000, 0.0001975800000000 ] - [ -0.0001755700000000, -0.0003474700000000, 0.0002923400000000 ] - [ -0.1492812200000000, 0.0000000000000000, 0.3084362100000000 ] - [ -0.0005969800000000, 0.0000000000000000, -0.0001441000000000 ] - [ -0.0000033400000000, 0.0001734000000000, -0.0001799800000000 ] - [ -0.0000033400000000, -0.0001734000000000, -0.0001799800000000 ] - [ -0.0001827000000000, 0.0000000000000000, 0.0000877300000000 ] - [ 0.0001703300000000, 0.0000000000000000, 0.0001060600000000 ] - [ -0.0007874700000000, -0.0001908900000000, -0.0014850800000000 ] - [ -0.0007874700000000, 0.0001908900000000, -0.0014850800000000 ] - [ -0.0000713300000000, -0.0001154300000000, -0.0001868500000000 ] - [ -0.0001469200000000, -0.0001894300000000, 0.0003764900000000 ] - [ -0.0000713300000000, 0.0001154300000000, -0.0001868500000000 ] - [ -0.0001469200000000, 0.0001894300000000, 0.0003764900000000 ] - [ 0.0000499500000000, -0.0001470700000000, 0.0002308900000000 ] - [ 0.0001240000000000, -0.0000704400000000, 0.0002563800000000 ] - [ 0.0000499500000000, 0.0001470700000000, 0.0002308900000000 ] - [ 0.0001240000000000, 0.0000704400000000, 0.0002563800000000 ] - [ 0.0001262100000000, 0.0000000000000000, -0.0004637200000000 ] - [ -0.0143973200000000, 0.0000000000000000, -0.0227882900000000 ] - [ -0.0001926300000000, 0.0000607300000000, -0.0000702800000000 ] - [ -0.0001926300000000, -0.0000607300000000, -0.0000702800000000 ] - [ 0.0000204700000000, 0.0000000000000000, -0.0001703200000000 ] - [ 0.0000079000000000, 0.0000000000000000, -0.0001410700000000 ] - [ -0.0053223400000000, 0.0009737800000000, -0.0034756100000000 ] - [ -0.0053223400000000, -0.0009737800000000, -0.0034756100000000 ] - [ 0.0001521800000000, 0.0000000000000000, -0.0007164500000000 ] - [ -0.0000595900000000, 0.0000000000000000, 0.0003326000000000 ] - [ 0.1629982800000000, 0.0000000000000000, -0.4078219300000000 ] - [ 0.0008326200000000, 0.0000000000000000, -0.0005716600000000 ] - [ -0.0000510600000000, -0.0004847000000000, 0.0005010000000000 ] - [ -0.0000510600000000, 0.0004847000000000, 0.0005010000000000 ] - [ 0.0006858100000000, 0.0000000000000000, -0.0005369900000000 ] - [ -0.0006232800000000, 0.0000000000000000, -0.0005379600000000 ] - [ -0.0049489700000000, -0.0050324500000000, 0.0026743500000000 ] - [ -0.0049489700000000, 0.0050324500000000, 0.0026743500000000 ] - [ -0.0000147600000000, -0.0000727300000000, -0.0001066100000000 ] - [ -0.0008225300000000, -0.0009055400000000, -0.0025866000000000 ] - [ -0.0000147600000000, 0.0000727300000000, -0.0001066100000000 ] - [ -0.0008225300000000, 0.0009055400000000, -0.0025866000000000 ] - [ -0.0005185800000000, 0.0005406300000000, -0.0001471100000000 ] - [ 0.0002084400000000, 0.0009843800000000, -0.0003817200000000 ] - [ -0.0005185800000000, -0.0005406300000000, -0.0001471100000000 ] - [ 0.0002084400000000, -0.0009843800000000, -0.0003817200000000 ] - [ 0.0010997500000000, 0.0001390900000000, -0.0007559200000000 ] - [ 0.0053162300000000, -0.0092174700000000, 0.0022738200000000 ] - [ 0.0010997500000000, -0.0001390900000000, -0.0007559200000000 ] - [ 0.0053162300000000, 0.0092174700000000, 0.0022738200000000 ] - [ 0.0000800700000000, -0.0003906700000000, -0.0001721500000000 ] - [ -0.0001036900000000, -0.0002957700000000, -0.0000738400000000 ] - [ 0.0000800700000000, 0.0003906700000000, -0.0001721500000000 ] - [ -0.0001036900000000, 0.0002957700000000, -0.0000738400000000 ] - [ 0.0004184700000000, -0.0000755100000000, 0.0001972400000000 ] - [ -0.0002010200000000, -0.0000225900000000, 0.0001868200000000 ] - [ 0.0004184700000000, 0.0000755100000000, 0.0001972400000000 ] - [ -0.0002010200000000, 0.0000225900000000, 0.0001868200000000 ] - [ -0.0004459400000000, 0.0002192100000000, 0.0004007700000000 ] - [ 0.0070107600000000, 0.0035907100000000, 0.0213265500000000 ] - [ -0.0004459400000000, -0.0002192100000000, 0.0004007700000000 ] - [ 0.0070107600000000, -0.0035907100000000, 0.0213265500000000 ] - [ -0.0001601700000000, 0.0000000000000000, 0.0006437700000000 ] - [ -0.0033785000000000, 0.0000000000000000, 0.0293922700000000 ] - [ -0.0000261100000000, -0.0002829500000000, 0.0003099200000000 ] - [ -0.0000261100000000, 0.0002829500000000, 0.0003099200000000 ] - [ 0.0002371600000000, 0.0000000000000000, -0.0001506000000000 ] - [ -0.0002758100000000, 0.0000000000000000, -0.0001251000000000 ] - [ 0.0007938900000000, 0.0000726100000000, 0.0028524400000000 ] - [ 0.0007938900000000, -0.0000726100000000, 0.0028524400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005516800000000, 0.0000000000000000, -0.0002898400000000 ] - [ -0.0000066300000000, 0.0000000000000000, 0.0004132200000000 ] - [ -0.0006427800000000, 0.0003578500000000, 0.0020314900000000 ] - [ 0.0003507300000000, -0.0000434400000000, 0.0004113900000000 ] - [ -0.0006427800000000, -0.0003578500000000, 0.0020314900000000 ] - [ 0.0003507300000000, 0.0000434400000000, 0.0004113900000000 ] - [ -0.0016774200000000, -0.0002089200000000, -0.0020832500000000 ] - [ 0.0016159300000000, -0.0224547600000000, -0.0258240900000000 ] - [ -0.0016774200000000, 0.0002089200000000, -0.0020832500000000 ] - [ 0.0016159300000000, 0.0224547600000000, -0.0258240900000000 ] - [ -0.0003491000000000, 0.0001843900000000, -0.0001988900000000 ] - [ 0.0005673000000000, 0.0000638000000000, -0.0002846300000000 ] - [ -0.0003491000000000, -0.0001843900000000, -0.0001988900000000 ] - [ 0.0005673000000000, -0.0000638000000000, -0.0002846300000000 ] - [ 0.1636514600000000, 0.0000000000000000, -0.3292823600000000 ] - [ 0.0002517200000000, 0.0000000000000000, -0.0002177100000000 ] - [ 0.0000053200000000, 0.0001761800000000, -0.0001817600000000 ] - [ 0.0000053200000000, -0.0001761800000000, -0.0001817600000000 ] - [ -0.0001676200000000, 0.0000000000000000, 0.0002682500000000 ] - [ 0.0001808800000000, 0.0000000000000000, 0.0002509400000000 ] - [ 0.0007931000000000, -0.0001616000000000, 0.0018549800000000 ] - [ 0.0007931000000000, 0.0001616000000000, 0.0018549800000000 ] - [ 0.0000049500000000, 0.0000486300000000, -0.0002055300000000 ] - [ 0.0002258700000000, 0.0001176100000000, -0.0007687400000000 ] - [ 0.0000049500000000, -0.0000486300000000, -0.0002055300000000 ] - [ 0.0002258700000000, -0.0001176100000000, -0.0007687400000000 ] - [ 0.0000179300000000, 0.0002145900000000, 0.0001572800000000 ] - [ -0.0001941200000000, 0.0001399900000000, 0.0001303400000000 ] - [ 0.0000179300000000, -0.0002145900000000, 0.0001572800000000 ] - [ -0.0001941200000000, -0.0001399900000000, 0.0001303400000000 ] - [ -0.0002432300000000, 0.0000000000000000, 0.0009314600000000 ] - [ 0.0144186400000000, 0.0000000000000000, 0.0231975800000000 ] - [ 0.0001955800000000, -0.0001796200000000, 0.0005350600000000 ] - [ 0.0001955800000000, 0.0001796200000000, 0.0005350600000000 ] - [ 0.0001006300000000, 0.0000000000000000, -0.0003016500000000 ] - [ -0.0001295900000000, 0.0000000000000000, -0.0003329600000000 ] - [ 0.0053479300000000, -0.0008570300000000, 0.0030260900000000 ] - [ 0.0053479300000000, 0.0008570300000000, 0.0030260900000000 ] - [ -0.0001594100000000, 0.0000000000000000, -0.0002998500000000 ] - [ 0.0000612900000000, 0.0000000000000000, 0.0006804300000000 ] - [ -0.1781714900000000, 0.0000000000000000, 0.4293354500000000 ] - [ 0.0002637100000000, 0.0000000000000000, 0.0016228100000000 ] - [ 0.0000434700000000, -0.0006037700000000, 0.0005429500000000 ] - [ 0.0000434700000000, 0.0006037700000000, 0.0005429500000000 ] - [ 0.0004063900000000, 0.0000000000000000, -0.0005108200000000 ] - [ -0.0004713000000000, 0.0000000000000000, -0.0005114900000000 ] - [ 0.0049196100000000, 0.0060983900000000, -0.0037517000000000 ] - [ 0.0049196100000000, -0.0060983900000000, -0.0037517000000000 ] - [ -0.0001883200000000, -0.0001279600000000, 0.0001636900000000 ] - [ 0.0009860800000000, 0.0006411000000000, 0.0026621600000000 ] - [ -0.0001883200000000, 0.0001279600000000, 0.0001636900000000 ] - [ 0.0009860800000000, -0.0006411000000000, 0.0026621600000000 ] - [ 0.0007176300000000, -0.0003402500000000, 0.0000873000000000 ] - [ -0.0004040200000000, -0.0007895900000000, 0.0003163900000000 ] - [ 0.0007176300000000, 0.0003402500000000, 0.0000873000000000 ] - [ -0.0004040200000000, 0.0007895900000000, 0.0003163900000000 ] - [ -0.0019090000000000, -0.0000681500000000, 0.0005644300000000 ] - [ -0.0045613700000000, 0.0093736700000000, -0.0024431000000000 ] - [ -0.0019090000000000, 0.0000681500000000, 0.0005644300000000 ] - [ -0.0045613700000000, -0.0093736700000000, -0.0024431000000000 ] - [ -0.0000055000000000, -0.0004079600000000, -0.0000260400000000 ] - [ 0.0000295800000000, -0.0005046700000000, -0.0001193300000000 ] - [ -0.0000055000000000, 0.0004079600000000, -0.0000260400000000 ] - [ 0.0000295800000000, 0.0005046700000000, -0.0001193300000000 ] - [ 0.0003750600000000, -0.0000023500000000, -0.0000016200000000 ] - [ -0.0005970400000000, -0.0000546700000000, 0.0000058900000000 ] - [ 0.0003750600000000, 0.0000023500000000, -0.0000016200000000 ] - [ -0.0005970400000000, 0.0000546700000000, 0.0000058900000000 ] - [ 0.0003690400000000, 0.0005788400000000, -0.0002065500000000 ] - [ -0.0068307200000000, -0.0026591000000000, -0.0208356400000000 ] - [ 0.0003690400000000, -0.0005788400000000, -0.0002065500000000 ] - [ -0.0068307200000000, 0.0026591000000000, -0.0208356400000000 ] - [ -0.0000783800000000, 0.0000000000000000, -0.0003022700000000 ] - [ 0.0037326400000000, 0.0000000000000000, -0.0289869500000000 ] - [ 0.0000245200000000, 0.0000456200000000, 0.0000322700000000 ] - [ 0.0000245200000000, -0.0000456200000000, 0.0000322700000000 ] - [ -0.0000026700000000, 0.0000000000000000, -0.0001943900000000 ] - [ 0.0000411000000000, 0.0000000000000000, -0.0002158100000000 ] - [ -0.0007934600000000, 0.0001655500000000, -0.0032178900000000 ] - [ -0.0007934600000000, -0.0001655500000000, -0.0032178900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004237100000000, -0.0012978000000000, -0.0011370900000000 ] - [ -0.0007250500000000, -0.0008509200000000, 0.0000537200000000 ] - [ -0.0013512600000000, -0.0000469600000000, -0.0001322600000000 ] - [ 0.0014054900000000, 0.0006780600000000, 0.0000123900000000 ] - [ -0.0044830000000000, -0.0002155600000000, 0.0004357800000000 ] - [ 0.0093442900000000, -0.0008659900000000, 0.0015645600000000 ] - [ 0.0381839900000000, -0.0079683300000000, 0.0112032000000000 ] - [ -0.0064639700000000, 0.0004706800000000, -0.0007438100000000 ] - [ 0.0014485700000000, 0.0055370400000000, -0.0013435600000000 ] - [ -0.0034533800000000, 0.0003877600000000, -0.0000316700000000 ] - [ 0.0276623100000000, 0.0045930400000000, 0.0003490400000000 ] - [ -0.0080590700000000, 0.0007445400000000, 0.0019703600000000 ] - [ 0.0021318900000000, -0.0003444200000000, -0.0003447900000000 ] - [ -0.0007547700000000, -0.0001939600000000, 0.0003018200000000 ] - [ -0.0005264600000000, 0.0000562600000000, -0.0000594400000000 ] - [ 0.0007862500000000, 0.0016084800000000, 0.0021941100000000 ] - [ 0.0001856700000000, 0.0000747700000000, -0.0003315000000000 ] - [ -0.0024787300000000, 0.0010320900000000, -0.0039797600000000 ] - [ -0.0005452000000000, -0.0000789400000000, 0.0003834800000000 ] - [ 0.0010067800000000, -0.0004318300000000, 0.0003038700000000 ] - [ -0.0000663000000000, -0.0001235900000000, 0.0000845300000000 ] - [ -0.0004829300000000, 0.0004226900000000, 0.0002814700000000 ] - [ 0.2052952300000000, 0.1726677100000000, -0.0461722700000000 ] - [ -0.0016635500000000, 0.0005248600000000, -0.0003977900000000 ] - [ 0.0023594900000000, -0.0014234500000000, -0.0007957600000000 ] - [ -0.0021049100000000, -0.0018573300000000, -0.0013019500000000 ] - [ -0.0016536400000000, -0.0004105600000000, 0.0041770000000000 ] - [ -0.0008759200000000, 0.0001841700000000, 0.0000684600000000 ] - [ 0.0002933700000000, -0.0003608200000000, 0.0001179200000000 ] - [ -0.0009175800000000, -0.0005691800000000, -0.0000951600000000 ] - [ 0.0018582000000000, 0.0047441100000000, -0.0013221100000000 ] - [ -0.0009521600000000, 0.0004261400000000, -0.0005862800000000 ] - [ -0.0013402900000000, 0.0008062000000000, -0.0016517300000000 ] - [ 0.0013575600000000, -0.0004372100000000, 0.0002369400000000 ] - [ -0.0002887600000000, -0.0000491500000000, -0.0016865500000000 ] - [ -0.0009460500000000, 0.0015109500000000, -0.0016979300000000 ] - [ -0.0087870000000000, -0.0013481200000000, 0.0023590900000000 ] - [ -0.0022176300000000, -0.0000481400000000, 0.0000630500000000 ] - [ 0.0093045400000000, 0.0127399900000000, -0.0038420300000000 ] - [ 0.0014975000000000, 0.0012733900000000, 0.0002461800000000 ] - [ 0.0012907600000000, -0.0004870100000000, 0.0006195700000000 ] - [ 0.0061898400000000, -0.0142556500000000, 0.0014409400000000 ] - [ -0.0008686800000000, -0.0005913800000000, 0.0005603700000000 ] - [ 0.0160333900000000, -0.0132649800000000, -0.0002467700000000 ] - [ 0.0019106400000000, -0.0010986700000000, -0.0011477700000000 ] - [ -0.0030419500000000, -0.0000121500000000, -0.0008403200000000 ] - [ 0.0013054900000000, -0.0001200700000000, -0.0000886000000000 ] - [ 0.0035690800000000, -0.0010139500000000, 0.0003605600000000 ] - [ -0.3350987800000000, -0.1809228300000000, 0.0276665100000000 ] - [ 0.0037869600000000, -0.0000455100000000, 0.0000906300000000 ] - [ -0.0030091100000000, 0.0000374400000000, 0.0002177000000000 ] - [ 0.0024448500000000, 0.0016446500000000, 0.0003995300000000 ] - [ 0.0145162900000000, 0.0211340400000000, 0.0171651900000000 ] - [ 0.0026484500000000, 0.0001833500000000, -0.0001077000000000 ] - [ -0.0007419300000000, -0.0001839200000000, -0.0001066100000000 ] - [ 0.0015712500000000, 0.0002094800000000, -0.0001181500000000 ] - [ 0.0219742400000000, 0.0049484300000000, -0.0112006600000000 ] - [ 0.0066915500000000, -0.0005841100000000, 0.0008197400000000 ] - [ 0.0007209400000000, -0.0013758900000000, -0.0009134900000000 ] - [ 0.0019019900000000, 0.0001518000000000, 0.0001743300000000 ] - [ -0.0031939000000000, 0.0036965800000000, -0.0022650800000000 ] - [ 0.0022880600000000, -0.0015118200000000, 0.0010257100000000 ] - [ -0.0004284900000000, 0.0014970100000000, 0.0007315600000000 ] - [ 0.0003304800000000, 0.0000646700000000, 0.0001987100000000 ] - [ -0.0006753300000000, -0.0031593400000000, -0.0050862900000000 ] - [ 0.0020596800000000, -0.0009204200000000, 0.0006442700000000 ] - [ -0.0009096500000000, 0.0003226000000000, 0.0002959800000000 ] - [ -0.0006863300000000, 0.0001578000000000, -0.0002689100000000 ] - [ -0.0007829000000000, -0.0043847400000000, 0.0055429000000000 ] - [ 0.0014866500000000, -0.0001702300000000, 0.0004872600000000 ] - [ -0.0002662400000000, -0.0024759300000000, 0.0005026000000000 ] - [ 0.0008493400000000, -0.0001597600000000, 0.0003974300000000 ] - [ -0.0032678300000000, -0.0012818300000000, 0.0008269200000000 ] - [ 0.0012204500000000, 0.0000340800000000, 0.0006238500000000 ] - [ 0.0013725500000000, 0.0001291500000000, 0.0038672100000000 ] - [ -0.0005271000000000, 0.0004203900000000, 0.0003756000000000 ] - [ -0.0005480100000000, 0.0006381100000000, 0.0005805700000000 ] - [ 0.0010801400000000, -0.0002152900000000, 0.0007071000000000 ] - [ 0.0027450700000000, 0.0014993200000000, -0.0024277800000000 ] - [ 0.0006508600000000, -0.0000941000000000, -0.0002581300000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004172100000000, 0.0013133100000000, 0.0006920500000000 ] - [ 0.0007287700000000, 0.0008448800000000, 0.0003962400000000 ] - [ 0.0013461400000000, 0.0000435500000000, 0.0001315400000000 ] - [ -0.0014022400000000, -0.0006682900000000, -0.0000141900000000 ] - [ 0.0044765100000000, 0.0002183100000000, -0.0004307500000000 ] - [ -0.0093075100000000, 0.0008391300000000, -0.0015692700000000 ] - [ -0.0346936400000000, 0.0067956900000000, -0.0097721800000000 ] - [ 0.0060825500000000, -0.0008244300000000, 0.0007333000000000 ] - [ -0.0010774400000000, -0.0051529100000000, 0.0013375100000000 ] - [ 0.0030748300000000, -0.0000176400000000, 0.0000339500000000 ] - [ -0.0279867100000000, -0.0043489700000000, -0.0003188000000000 ] - [ 0.0084421700000000, -0.0003761900000000, -0.0019785000000000 ] - [ -0.0025008400000000, -0.0000120000000000, 0.0003497800000000 ] - [ 0.0011141900000000, -0.0001903600000000, -0.0003017000000000 ] - [ 0.0009072200000000, -0.0000537400000000, -0.0003311900000000 ] - [ -0.0011693300000000, -0.0015999500000000, -0.0025725200000000 ] - [ -0.0001868600000000, 0.0003084000000000, -0.0000592200000000 ] - [ 0.0024844800000000, -0.0014347400000000, 0.0036250800000000 ] - [ 0.0001592700000000, 0.0000788200000000, 0.0000070000000000 ] - [ -0.0006231100000000, 0.0004304600000000, 0.0000837900000000 ] - [ 0.0000663900000000, -0.0002598200000000, 0.0003045100000000 ] - [ 0.0004856500000000, -0.0000380100000000, 0.0001129800000000 ] - [ -0.2120348900000000, -0.1849231400000000, 0.0488938000000000 ] - [ 0.0017886100000000, -0.0006374100000000, 0.0000094800000000 ] - [ -0.0024816200000000, 0.0015490700000000, 0.0004102100000000 ] - [ 0.0022236800000000, 0.0019763400000000, 0.0009113000000000 ] - [ 0.0017970600000000, 0.0005803700000000, -0.0037977900000000 ] - [ 0.0007460900000000, -0.0000570400000000, 0.0003139600000000 ] - [ -0.0001612900000000, 0.0002297000000000, 0.0002637100000000 ] - [ 0.0007857600000000, 0.0004370700000000, 0.0004766200000000 ] - [ -0.0020230500000000, -0.0047546800000000, 0.0018430000000000 ] - [ 0.0011020000000000, -0.0004126200000000, 0.0010979600000000 ] - [ 0.0013026100000000, -0.0009771100000000, 0.0021762100000000 ] - [ -0.0013624800000000, 0.0005891500000000, 0.0002751300000000 ] - [ 0.0004368200000000, 0.0000903200000000, 0.0011511800000000 ] - [ 0.0007908800000000, -0.0015276000000000, 0.0011883900000000 ] - [ 0.0087831100000000, 0.0014968900000000, -0.0028677100000000 ] - [ 0.0022146400000000, -0.0001062300000000, -0.0005742900000000 ] - [ -0.0092228500000000, -0.0126938300000000, 0.0028471600000000 ] - [ -0.0015036500000000, -0.0012728900000000, 0.0007421100000000 ] - [ -0.0024473200000000, 0.0004775700000000, 0.0004430300000000 ] - [ -0.0049803600000000, 0.0141222900000000, -0.0003699800000000 ] - [ 0.0008714900000000, -0.0005685100000000, 0.0005012500000000 ] - [ -0.0162169700000000, 0.0146846500000000, 0.0012983900000000 ] - [ -0.0007490600000000, 0.0011086400000000, 0.0000903100000000 ] - [ 0.0018800100000000, 0.0000045500000000, -0.0002267000000000 ] - [ -0.0013042800000000, 0.0012788100000000, -0.0009692000000000 ] - [ -0.0035613000000000, -0.0001462400000000, -0.0014119800000000 ] - [ 0.3379880300000000, 0.1934411700000000, -0.0323065400000000 ] - [ -0.0036382200000000, -0.0001105600000000, -0.0000695000000000 ] - [ 0.0028546300000000, 0.0001008500000000, -0.0001998300000000 ] - [ -0.0022891000000000, -0.0014914900000000, -0.0003773500000000 ] - [ -0.0143419700000000, -0.0207700800000000, -0.0168780900000000 ] - [ -0.0027893400000000, -0.0000372200000000, 0.0000903700000000 ] - [ 0.0008789500000000, 0.0000367700000000, 0.0000879400000000 ] - [ -0.0017107300000000, -0.0003477700000000, 0.0000979300000000 ] - [ -0.0222246500000000, -0.0048053400000000, 0.0107357700000000 ] - [ -0.0059503300000000, 0.0006459400000000, -0.0010575500000000 ] - [ -0.0014218800000000, 0.0013061000000000, 0.0006732700000000 ] - [ -0.0011994600000000, -0.0002157600000000, -0.0004124100000000 ] - [ 0.0031876200000000, -0.0045499900000000, 0.0020941800000000 ] - [ -0.0023580700000000, 0.0008173700000000, -0.0012682600000000 ] - [ 0.0004949600000000, -0.0008206400000000, -0.0009704000000000 ] - [ -0.0003915100000000, 0.0006489700000000, -0.0004337800000000 ] - [ 0.0014293000000000, 0.0031200800000000, 0.0053231300000000 ] - [ -0.0027600700000000, 0.0008614300000000, -0.0004116100000000 ] - [ 0.0016132900000000, -0.0002605100000000, -0.0000595700000000 ] - [ -0.0000143300000000, -0.0000902800000000, 0.0005066100000000 ] - [ 0.0006998800000000, 0.0051035700000000, -0.0053114800000000 ] - [ -0.0014182500000000, 0.0008639100000000, -0.0002478600000000 ] - [ 0.0002008900000000, 0.0017718000000000, -0.0002602900000000 ] - [ -0.0007835500000000, -0.0005489500000000, -0.0001622200000000 ] - [ 0.0031333400000000, 0.0012813200000000, -0.0006216200000000 ] - [ -0.0010824300000000, -0.0000395000000000, -0.0004082300000000 ] - [ -0.0013786600000000, -0.0002493700000000, -0.0037013000000000 ] - [ 0.0005268600000000, -0.0002846600000000, -0.0001601700000000 ] - [ 0.0006656600000000, -0.0006499500000000, -0.0007691400000000 ] - [ -0.0012150100000000, 0.0002209100000000, -0.0009239400000000 ] - [ -0.0027315200000000, -0.0013512000000000, 0.0021827300000000 ] - [ -0.0006512500000000, -0.0000405600000000, 0.0000442600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012053100000000, -0.0012053100000000, -0.0009129400000000 ] - [ 0.0000597700000000, 0.0000597700000000, -0.0000715200000000 ] - [ 0.0000001200000000, 0.0000001200000000, 0.0000281500000000 ] - [ 0.0001043800000000, 0.0001829100000000, -0.0004046000000000 ] - [ 0.0001829100000000, 0.0001043800000000, -0.0004046000000000 ] - [ 0.0026710100000000, 0.0026710100000000, -0.0114998500000000 ] - [ 0.0064321000000000, -0.0022506000000000, 0.0199206300000000 ] - [ -0.0002888900000000, -0.0003856400000000, 0.0008355400000000 ] - [ 0.0001066500000000, 0.0000438200000000, 0.0004582700000000 ] - [ 0.0000649600000000, -0.0000255100000000, -0.0000072500000000 ] - [ -0.0022506000000000, 0.0064321000000000, 0.0199206300000000 ] - [ 0.0000438200000000, 0.0001066500000000, 0.0004582700000000 ] - [ -0.0003856400000000, -0.0002888900000000, 0.0008355400000000 ] - [ -0.0000255100000000, 0.0000649600000000, -0.0000072500000000 ] - [ 0.0002646100000000, -0.0000890400000000, -0.0001619000000000 ] - [ 0.0008152800000000, -0.0019438300000000, -0.0005705800000000 ] - [ -0.0000890400000000, 0.0002646100000000, -0.0001619000000000 ] - [ -0.0019438300000000, 0.0008152800000000, -0.0005705800000000 ] - [ -0.0001678000000000, -0.0000290100000000, 0.0001698100000000 ] - [ 0.0001250600000000, -0.0003673100000000, -0.0004398900000000 ] - [ -0.0000290100000000, -0.0001678000000000, 0.0001698100000000 ] - [ -0.0003673100000000, 0.0001250600000000, -0.0004398900000000 ] - [ -0.0413606500000000, -0.0413606500000000, 0.0221607400000000 ] - [ 0.0001193500000000, -0.0003686500000000, 0.0000178400000000 ] - [ -0.0003686500000000, 0.0001193500000000, 0.0000178400000000 ] - [ 0.0005183900000000, 0.0005183900000000, -0.0000435100000000 ] - [ -0.0006181900000000, -0.0006181900000000, 0.0037414100000000 ] - [ -0.0002418800000000, 0.0001918100000000, 0.0001582200000000 ] - [ 0.0001918100000000, -0.0002418800000000, 0.0001582200000000 ] - [ -0.0002340900000000, -0.0002340900000000, 0.0000805600000000 ] - [ 0.0050179200000000, 0.0083502200000000, -0.0066973100000000 ] - [ 0.0000188800000000, -0.0000940600000000, 0.0000291300000000 ] - [ 0.0083502200000000, 0.0050179200000000, -0.0066973100000000 ] - [ -0.0000940600000000, 0.0000188800000000, 0.0000291300000000 ] - [ 0.0006605600000000, 0.0025984400000000, -0.0024776100000000 ] - [ -0.0001262100000000, 0.0002596600000000, -0.0002475700000000 ] - [ 0.0025984400000000, 0.0006605600000000, -0.0024776100000000 ] - [ 0.0002596600000000, -0.0001262100000000, -0.0002475700000000 ] - [ -0.0026636300000000, -0.0026636300000000, -0.0023729100000000 ] - [ 0.0008623400000000, 0.0008623400000000, 0.0000670900000000 ] - [ -0.0006803100000000, 0.0002133200000000, 0.0003931700000000 ] - [ 0.0001537700000000, 0.0011803300000000, -0.0020952500000000 ] - [ 0.0002133200000000, -0.0006803100000000, 0.0003931700000000 ] - [ 0.0011803300000000, 0.0001537700000000, -0.0020952500000000 ] - [ 0.0006563600000000, -0.0000769400000000, -0.0006492100000000 ] - [ -0.0008819200000000, 0.0012404000000000, -0.0008810300000000 ] - [ -0.0000769400000000, 0.0006563600000000, -0.0006492100000000 ] - [ 0.0012404000000000, -0.0008819200000000, -0.0008810300000000 ] - [ 0.0286111100000000, 0.0286111100000000, -0.0803493100000000 ] - [ -0.0000025600000000, 0.0001318200000000, -0.0002643600000000 ] - [ 0.0001318200000000, -0.0000025600000000, -0.0002643600000000 ] - [ -0.0003100800000000, -0.0003100800000000, -0.0000861800000000 ] - [ 0.0171387600000000, 0.0171387600000000, 0.0044857000000000 ] - [ 0.0000221100000000, -0.0000205600000000, -0.0000635700000000 ] - [ -0.0000205600000000, 0.0000221100000000, -0.0000635700000000 ] - [ 0.0000325100000000, 0.0000325100000000, 0.0001007000000000 ] - [ -0.0097391600000000, -0.0025397700000000, 0.0025133700000000 ] - [ -0.0016138700000000, 0.0002083700000000, -0.0002837800000000 ] - [ -0.0005476400000000, -0.0000233100000000, -0.0000831800000000 ] - [ 0.0001973000000000, -0.0000047200000000, -0.0002034300000000 ] - [ -0.0025397700000000, -0.0097391600000000, 0.0025133700000000 ] - [ -0.0000233100000000, -0.0005476400000000, -0.0000831800000000 ] - [ 0.0002083700000000, -0.0016138700000000, -0.0002837800000000 ] - [ -0.0000047200000000, 0.0001973000000000, -0.0002034300000000 ] - [ -0.0086160300000000, 0.0034527400000000, 0.0127224200000000 ] - [ -0.0015721400000000, -0.0009083200000000, 0.0013253700000000 ] - [ 0.0003806100000000, 0.0000624100000000, 0.0002173900000000 ] - [ -0.0002479100000000, 0.0000424700000000, 0.0002107400000000 ] - [ 0.0034527400000000, -0.0086160300000000, 0.0127224200000000 ] - [ 0.0000624100000000, 0.0003806100000000, 0.0002173900000000 ] - [ -0.0009083200000000, -0.0015721400000000, 0.0013253700000000 ] - [ 0.0000424700000000, -0.0002479100000000, 0.0002107400000000 ] - [ -0.0034697000000000, 0.0015387400000000, 0.0073549100000000 ] - [ 0.0001446900000000, 0.0000944700000000, 0.0002193800000000 ] - [ 0.0015387400000000, -0.0034697000000000, 0.0073549100000000 ] - [ 0.0000944700000000, 0.0001446900000000, 0.0002193800000000 ] - [ -0.0003082400000000, -0.0007441200000000, 0.0014019000000000 ] - [ -0.0001081500000000, -0.0000947700000000, -0.0000816400000000 ] - [ -0.0007441200000000, -0.0003082400000000, 0.0014019000000000 ] - [ -0.0000947700000000, -0.0001081500000000, -0.0000816400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0012185300000000, 0.0012185300000000, 0.0004605900000000 ] - [ -0.0000608400000000, -0.0000608400000000, 0.0005255000000000 ] - [ -0.0000007700000000, -0.0000007700000000, -0.0000290700000000 ] - [ -0.0001048500000000, -0.0001733100000000, 0.0003991800000000 ] - [ -0.0001733100000000, -0.0001048500000000, 0.0003991800000000 ] - [ -0.0026246600000000, -0.0026246600000000, 0.0112291400000000 ] - [ -0.0055704100000000, 0.0018329300000000, -0.0199322300000000 ] - [ -0.0000763800000000, 0.0000273800000000, -0.0008355900000000 ] - [ 0.0002471000000000, 0.0002998200000000, -0.0004291500000000 ] - [ -0.0004331600000000, 0.0003884700000000, 0.0000099900000000 ] - [ 0.0018329300000000, -0.0055704100000000, -0.0199322300000000 ] - [ 0.0002998200000000, 0.0002471000000000, -0.0004291500000000 ] - [ 0.0000273800000000, -0.0000763800000000, -0.0008355900000000 ] - [ 0.0003884700000000, -0.0004331600000000, 0.0000099900000000 ] - [ 0.0001133000000000, 0.0000896000000000, -0.0002195400000000 ] - [ -0.0012029200000000, 0.0019413500000000, 0.0001600400000000 ] - [ 0.0000896000000000, 0.0001133000000000, -0.0002195400000000 ] - [ 0.0019413500000000, -0.0012029200000000, 0.0001600400000000 ] - [ -0.0002097500000000, 0.0000266400000000, 0.0002114500000000 ] - [ 0.0002518000000000, 0.0003656500000000, 0.0008242100000000 ] - [ 0.0000266400000000, -0.0002097500000000, 0.0002114500000000 ] - [ 0.0003656500000000, 0.0002518000000000, 0.0008242100000000 ] - [ 0.0430758800000000, 0.0430758800000000, -0.0245955700000000 ] - [ -0.0000093000000000, 0.0002600400000000, -0.0004061100000000 ] - [ 0.0002600400000000, -0.0000093000000000, -0.0004061100000000 ] - [ -0.0004098000000000, -0.0004098000000000, -0.0003467200000000 ] - [ 0.0007440700000000, 0.0007440700000000, -0.0033983400000000 ] - [ 0.0001269500000000, -0.0000780000000000, 0.0002276400000000 ] - [ -0.0000780000000000, 0.0001269500000000, 0.0002276400000000 ] - [ 0.0001189700000000, 0.0001189700000000, 0.0003054400000000 ] - [ -0.0051510500000000, -0.0082820400000000, 0.0072205100000000 ] - [ 0.0001375600000000, 0.0000991900000000, 0.0004864400000000 ] - [ -0.0082820400000000, -0.0051510500000000, 0.0072205100000000 ] - [ 0.0000991900000000, 0.0001375600000000, 0.0004864400000000 ] - [ -0.0005013700000000, -0.0025867400000000, 0.0019549700000000 ] - [ -0.0000320600000000, -0.0002594300000000, -0.0002684400000000 ] - [ -0.0025867400000000, -0.0005013700000000, 0.0019549700000000 ] - [ -0.0002594300000000, -0.0000320600000000, -0.0002684400000000 ] - [ 0.0027141300000000, 0.0027141300000000, 0.0013598300000000 ] - [ -0.0008641100000000, -0.0008641100000000, 0.0009265700000000 ] - [ -0.0004738900000000, -0.0002158500000000, 0.0006659500000000 ] - [ 0.0009488600000000, -0.0010932400000000, 0.0031556700000000 ] - [ -0.0002158500000000, -0.0004738900000000, 0.0006659500000000 ] - [ -0.0010932400000000, 0.0009488600000000, 0.0031556700000000 ] - [ 0.0004995900000000, 0.0000800300000000, -0.0004147100000000 ] - [ -0.0002718600000000, -0.0012421500000000, -0.0001833300000000 ] - [ 0.0000800300000000, 0.0004995900000000, -0.0004147100000000 ] - [ -0.0012421500000000, -0.0002718600000000, -0.0001833300000000 ] - [ -0.0313028600000000, -0.0313028600000000, 0.0825249300000000 ] - [ 0.0001613900000000, -0.0002883900000000, 0.0002814600000000 ] - [ -0.0002883900000000, 0.0001613900000000, 0.0002814600000000 ] - [ 0.0004688600000000, 0.0004688600000000, 0.0001057900000000 ] - [ -0.0169029800000000, -0.0169029800000000, -0.0044611100000000 ] - [ -0.0001773100000000, 0.0001747900000000, 0.0000457600000000 ] - [ 0.0001747900000000, -0.0001773100000000, 0.0000457600000000 ] - [ -0.0001856700000000, -0.0001856700000000, -0.0001196000000000 ] - [ 0.0090642800000000, 0.0026059600000000, -0.0027308600000000 ] - [ 0.0023475000000000, -0.0001491000000000, 0.0000653900000000 ] - [ -0.0001801500000000, -0.0000323900000000, -0.0001316800000000 ] - [ 0.0005312700000000, -0.0000568100000000, -0.0000154300000000 ] - [ 0.0026059600000000, 0.0090642800000000, -0.0027308600000000 ] - [ -0.0000323900000000, -0.0001801500000000, -0.0001316800000000 ] - [ -0.0001491000000000, 0.0023475000000000, 0.0000653900000000 ] - [ -0.0000568100000000, 0.0005312700000000, -0.0000154300000000 ] - [ 0.0092347600000000, -0.0034203200000000, -0.0123606800000000 ] - [ 0.0008052400000000, 0.0008540300000000, -0.0011325100000000 ] - [ 0.0003423400000000, -0.0000006500000000, 0.0000020000000000 ] - [ -0.0004822300000000, 0.0000206200000000, 0.0000081900000000 ] - [ -0.0034203200000000, 0.0092347600000000, -0.0123606800000000 ] - [ -0.0000006500000000, 0.0003423400000000, 0.0000020000000000 ] - [ 0.0008540300000000, 0.0008052400000000, -0.0011325100000000 ] - [ 0.0000206200000000, -0.0004822300000000, 0.0000081900000000 ] - [ 0.0033131800000000, -0.0015909400000000, -0.0071263200000000 ] - [ 0.0000047400000000, -0.0000976300000000, 0.0000161000000000 ] - [ -0.0015909400000000, 0.0033131800000000, -0.0071263200000000 ] - [ -0.0000976300000000, 0.0000047400000000, 0.0000161000000000 ] - [ 0.0004593900000000, 0.0007474100000000, -0.0016394300000000 ] - [ -0.0000442900000000, 0.0000960900000000, -0.0001526400000000 ] - [ 0.0007474100000000, 0.0004593900000000, -0.0016394300000000 ] - [ 0.0000960900000000, -0.0000442900000000, -0.0001526400000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020475700000000, -0.0003092100000000, -0.0003449200000000 ] - [ 0.0019613800000000, -0.0035556200000000, 0.0006347700000000 ] - [ -0.0004225900000000, -0.0000007300000000, 0.0000643900000000 ] - [ 0.0003237300000000, -0.0008258700000000, -0.0001757700000000 ] - [ -0.0127865200000000, -0.0010778600000000, 0.0068116600000000 ] - [ 0.0151007100000000, -0.0016324100000000, 0.0070661200000000 ] - [ 0.0190083600000000, 0.0011182800000000, 0.0011482700000000 ] - [ -0.0059452700000000, 0.0074463700000000, -0.0154265000000000 ] - [ 0.0028202100000000, -0.0044860100000000, 0.0005100400000000 ] - [ 0.0013061300000000, 0.0032884200000000, 0.0000539400000000 ] - [ -0.0050743600000000, 0.0059415300000000, 0.0024044800000000 ] - [ -0.0071478400000000, -0.0015765500000000, -0.0014871200000000 ] - [ -0.0013299600000000, 0.0006245000000000, 0.0009613600000000 ] - [ -0.0018880200000000, -0.0012902500000000, -0.0008872600000000 ] - [ -0.0008090000000000, 0.0016081500000000, -0.0000527700000000 ] - [ -0.0015223700000000, -0.0030521300000000, -0.0009284900000000 ] - [ -0.0004025800000000, 0.0001440600000000, -0.0002087600000000 ] - [ -0.0012750300000000, 0.0000077200000000, -0.0002810200000000 ] - [ -0.0007766200000000, -0.0003218100000000, 0.0006937200000000 ] - [ 0.0000934800000000, 0.0004015200000000, -0.0000006300000000 ] - [ 0.0002692100000000, -0.0002342600000000, 0.0002280500000000 ] - [ 0.0013517800000000, 0.0023560000000000, 0.0066448600000000 ] - [ -0.0009614900000000, -0.0043894500000000, -0.0009273800000000 ] - [ -0.0015647500000000, 0.0015739000000000, -0.0002592000000000 ] - [ -0.0007950800000000, 0.0000272900000000, -0.0000467900000000 ] - [ -0.0010965900000000, -0.0004306100000000, -0.0004990100000000 ] - [ 0.0027413500000000, 0.0019923600000000, 0.0013230000000000 ] - [ 0.0010193700000000, -0.0019747900000000, 0.0004553300000000 ] - [ 0.0011078300000000, -0.0006202700000000, 0.0000000800000000 ] - [ 0.0002408100000000, -0.0001565400000000, 0.0002885700000000 ] - [ 0.0008785100000000, -0.0032128500000000, -0.0024706700000000 ] - [ -0.0003933100000000, 0.0043402100000000, 0.0002512900000000 ] - [ -0.0096117600000000, -0.0002715800000000, 0.0006919100000000 ] - [ -0.0027081400000000, -0.0000611800000000, 0.0001029800000000 ] - [ 0.0023209400000000, 0.0069472200000000, -0.0038424600000000 ] - [ -0.0005464700000000, -0.0042927400000000, -0.0012339900000000 ] - [ 0.3085991100000000, 0.0519897000000000, -0.1075182400000000 ] - [ 0.0039077000000000, -0.0004113300000000, -0.0008954300000000 ] - [ 0.0029263900000000, 0.0008104700000000, -0.0006292700000000 ] - [ -0.0022386300000000, 0.0005429400000000, 0.0003698600000000 ] - [ 0.0001754400000000, -0.0054948600000000, 0.0020404300000000 ] - [ -0.0004025700000000, 0.0122824700000000, -0.0044309800000000 ] - [ 0.0018696300000000, -0.0005158600000000, 0.0005361900000000 ] - [ 0.0047863500000000, -0.0002090600000000, 0.0006311000000000 ] - [ 0.0019928500000000, 0.0008613800000000, -0.0005037900000000 ] - [ 0.0000633300000000, -0.0014160600000000, -0.0007270700000000 ] - [ -0.0024110200000000, 0.0006498000000000, -0.0007071700000000 ] - [ -0.0059791700000000, -0.0028807400000000, 0.0025335400000000 ] - [ 0.0218556600000000, 0.0040319800000000, -0.0093098900000000 ] - [ 0.0064211300000000, -0.0012406800000000, 0.0020049600000000 ] - [ 0.0010038200000000, 0.0012488300000000, -0.0001747300000000 ] - [ 0.0016313200000000, -0.0002174500000000, 0.0001793500000000 ] - [ -0.0009466100000000, -0.0046805300000000, -0.0089531700000000 ] - [ 0.0023275100000000, 0.0022073800000000, 0.0011911300000000 ] - [ -0.0011851900000000, 0.0004441200000000, 0.0000089200000000 ] - [ -0.0004195100000000, 0.0001163100000000, -0.0001303700000000 ] - [ -0.4660089900000000, -0.0846882100000000, 0.1717971400000000 ] - [ 0.0972717200000000, 0.0022635200000000, -0.0060214900000000 ] - [ -0.0029587700000000, 0.0012274300000000, 0.0008741000000000 ] - [ -0.0016271100000000, -0.0007223500000000, -0.0006376000000000 ] - [ 0.0029796000000000, -0.0081956300000000, 0.0014100000000000 ] - [ 0.0022753300000000, 0.0026521900000000, -0.0001109500000000 ] - [ 0.0000877200000000, -0.0026261400000000, -0.0006190600000000 ] - [ 0.0006423900000000, 0.0031131800000000, 0.0013419200000000 ] - [ 0.0083295300000000, -0.0002505100000000, 0.0004633800000000 ] - [ 0.0067261100000000, -0.0006041100000000, 0.0008283800000000 ] - [ 0.0018946200000000, -0.0002183400000000, -0.0003232500000000 ] - [ 0.0014309400000000, 0.0004436400000000, 0.0005878900000000 ] - [ -0.0016307600000000, 0.0019971900000000, 0.0006016800000000 ] - [ 0.0013198800000000, -0.0024915100000000, 0.0001263200000000 ] - [ -0.0010980800000000, 0.0024879600000000, 0.0009149800000000 ] - [ -0.0005581500000000, -0.0028661700000000, -0.0003747000000000 ] - [ 0.0012728200000000, 0.0025084700000000, 0.0023685000000000 ] - [ 0.0016880400000000, -0.0017295700000000, -0.0002168300000000 ] - [ 0.0038259900000000, 0.0000453000000000, 0.0000808000000000 ] - [ 0.0011299600000000, 0.0002360400000000, 0.0002249100000000 ] - [ -0.0022501000000000, -0.0014215600000000, 0.0017174500000000 ] - [ 0.0011656400000000, 0.0019873300000000, 0.0000370000000000 ] - [ 0.0099546200000000, 0.0242263100000000, -0.0521111300000000 ] - [ -0.0012790000000000, 0.0004619500000000, 0.0002631300000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020368300000000, 0.0003136000000000, -0.0001028200000000 ] - [ -0.0019518300000000, 0.0035463800000000, -0.0001856100000000 ] - [ 0.0004277700000000, -0.0000012300000000, -0.0000631100000000 ] - [ -0.0003300300000000, 0.0008130600000000, 0.0001747800000000 ] - [ 0.0127064400000000, 0.0010627400000000, -0.0067224100000000 ] - [ -0.0156975000000000, 0.0018608100000000, -0.0078227400000000 ] - [ -0.0188658300000000, -0.0016982600000000, -0.0005591000000000 ] - [ 0.0056529000000000, -0.0077327900000000, 0.0152340300000000 ] - [ -0.0024446500000000, 0.0047854400000000, -0.0004896100000000 ] - [ -0.0016475400000000, -0.0029080300000000, -0.0000541800000000 ] - [ 0.0046533800000000, -0.0055531800000000, -0.0023990500000000 ] - [ 0.0074865100000000, 0.0019192000000000, 0.0014727000000000 ] - [ 0.0009539200000000, -0.0009978200000000, -0.0009611700000000 ] - [ 0.0022495600000000, 0.0009141800000000, 0.0008797600000000 ] - [ 0.0011836000000000, -0.0015861400000000, -0.0003345500000000 ] - [ 0.0011165500000000, 0.0030496400000000, 0.0005281200000000 ] - [ 0.0004008600000000, 0.0002347800000000, -0.0001758400000000 ] - [ 0.0012696700000000, -0.0003887800000000, -0.0001063800000000 ] - [ 0.0003956000000000, 0.0003190600000000, -0.0003057000000000 ] - [ 0.0002844700000000, -0.0004005000000000, 0.0003877800000000 ] - [ -0.0002678600000000, -0.0001473700000000, 0.0001584700000000 ] - [ -0.0013730000000000, -0.0019387200000000, -0.0062067100000000 ] - [ 0.0007945700000000, 0.0042423100000000, 0.0005517500000000 ] - [ 0.0016784600000000, -0.0016804700000000, -0.0001247700000000 ] - [ 0.0006671200000000, 0.0000928400000000, -0.0003359100000000 ] - [ 0.0012113700000000, 0.0005484000000000, 0.0001136500000000 ] - [ -0.0026153900000000, -0.0018461400000000, -0.0009217900000000 ] - [ -0.0011217500000000, 0.0020815700000000, -0.0000732800000000 ] - [ -0.0009893700000000, 0.0005015600000000, 0.0003842300000000 ] - [ -0.0003492700000000, 0.0000424700000000, 0.0000979800000000 ] - [ -0.0010441200000000, 0.0032038300000000, 0.0029887600000000 ] - [ 0.0005563600000000, -0.0043205100000000, 0.0002825500000000 ] - [ 0.0095902500000000, 0.0001188500000000, -0.0001828300000000 ] - [ 0.0026934000000000, 0.0002172000000000, 0.0004123700000000 ] - [ -0.0021765700000000, -0.0069522600000000, 0.0033248300000000 ] - [ 0.0003966300000000, 0.0042481900000000, 0.0007251000000000 ] - [ -0.2882136400000000, -0.0460417200000000, 0.0949093900000000 ] - [ -0.0038806300000000, 0.0002504100000000, 0.0003729900000000 ] - [ -0.0029106000000000, -0.0008141400000000, -0.0003686800000000 ] - [ 0.0022213100000000, -0.0005553700000000, 0.0006179800000000 ] - [ -0.0013549100000000, 0.0054462200000000, -0.0009607300000000 ] - [ 0.0016628600000000, -0.0121634200000000, 0.0054455600000000 ] - [ -0.0018594200000000, -0.0006487900000000, 0.0005208900000000 ] - [ -0.0047631000000000, 0.0013792500000000, 0.0004252000000000 ] - [ -0.0008211500000000, -0.0008514700000000, -0.0005522800000000 ] - [ -0.0012211700000000, 0.0014113500000000, -0.0003297600000000 ] - [ 0.0023957500000000, 0.0005253500000000, -0.0003529200000000 ] - [ 0.0058435200000000, 0.0017073300000000, -0.0037174200000000 ] - [ -0.0223397100000000, -0.0042147400000000, 0.0094955800000000 ] - [ -0.0062233600000000, 0.0010787000000000, -0.0019570700000000 ] - [ -0.0011362800000000, -0.0010779400000000, 0.0001955600000000 ] - [ -0.0014756300000000, 0.0003665800000000, -0.0001551600000000 ] - [ 0.0011579400000000, 0.0048070300000000, 0.0088952800000000 ] - [ -0.0024883000000000, -0.0020441000000000, -0.0011829500000000 ] - [ 0.0013388200000000, -0.0005901700000000, -0.0000305100000000 ] - [ 0.0002553200000000, -0.0002697600000000, 0.0001060800000000 ] - [ 0.4435719200000000, 0.0784636900000000, -0.1589721900000000 ] - [ -0.0937904700000000, -0.0021468900000000, 0.0056186100000000 ] - [ 0.0022296800000000, -0.0012687900000000, -0.0010909800000000 ] - [ 0.0023250500000000, 0.0006635100000000, 0.0004096900000000 ] - [ -0.0029494000000000, 0.0075240300000000, -0.0016343600000000 ] - [ -0.0023165100000000, -0.0033329100000000, -0.0001177500000000 ] - [ -0.0000293700000000, 0.0033530000000000, 0.0003968300000000 ] - [ -0.0006951200000000, -0.0023730800000000, -0.0015586200000000 ] - [ -0.0076101100000000, 0.0002012100000000, -0.0002598500000000 ] - [ -0.0074152700000000, 0.0005499800000000, -0.0006066800000000 ] - [ -0.0011670900000000, 0.0002726200000000, 0.0005435500000000 ] - [ -0.0021393500000000, -0.0003866500000000, -0.0003601900000000 ] - [ 0.0015921800000000, -0.0012830500000000, -0.0003957800000000 ] - [ -0.0012805700000000, 0.0031983300000000, 0.0000861100000000 ] - [ 0.0010461600000000, -0.0031954300000000, -0.0006970600000000 ] - [ 0.0006046600000000, 0.0021330500000000, 0.0005932900000000 ] - [ -0.0013941100000000, -0.0025155700000000, -0.0021428200000000 ] - [ -0.0015470300000000, 0.0017142000000000, 0.0004241800000000 ] - [ -0.0038152900000000, -0.0001828700000000, 0.0001472600000000 ] - [ -0.0011239000000000, -0.0000988200000000, 0.0000004500000000 ] - [ 0.0023821500000000, 0.0014239200000000, -0.0019405100000000 ] - [ -0.0013035600000000, -0.0019727900000000, -0.0002670400000000 ] - [ -0.0101659800000000, -0.0238149400000000, 0.0513365600000000 ] - [ 0.0012722300000000, -0.0005902700000000, -0.0004790400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007364900000000, 0.0001016200000000, -0.0002837200000000 ] - [ -0.0002869400000000, -0.0018842200000000, 0.0004395000000000 ] - [ 0.0001285800000000, -0.0004704400000000, -0.0000971000000000 ] - [ -0.0002884300000000, -0.0023749700000000, 0.0000846300000000 ] - [ -0.0030789800000000, 0.0002203400000000, -0.0004119800000000 ] - [ -0.0033827600000000, 0.0061045100000000, -0.0050266700000000 ] - [ 0.0030816400000000, 0.0182915700000000, -0.0068900900000000 ] - [ 0.0004287500000000, 0.0020059600000000, -0.0003889200000000 ] - [ 0.0012408200000000, -0.0065030500000000, 0.0016862900000000 ] - [ 0.0009779300000000, -0.0002567000000000, 0.0003142400000000 ] - [ 0.0014855800000000, 0.0029438200000000, 0.0001928000000000 ] - [ -0.0008220800000000, 0.0002579500000000, 0.0001993700000000 ] - [ -0.0000820400000000, -0.0023616900000000, -0.0002150300000000 ] - [ -0.0002089900000000, -0.0009360100000000, -0.0001212200000000 ] - [ 0.0002765100000000, 0.0002862500000000, -0.0003704200000000 ] - [ -0.0031139900000000, -0.0020462900000000, -0.0017233000000000 ] - [ -0.0000712500000000, -0.0000163900000000, -0.0001727100000000 ] - [ -0.0001215800000000, 0.0000415300000000, -0.0003076800000000 ] - [ -0.0003347800000000, -0.0001070400000000, 0.0002685200000000 ] - [ 0.0004109100000000, -0.0001692200000000, 0.0004455700000000 ] - [ 0.0000298700000000, -0.0004560100000000, 0.0003121900000000 ] - [ 0.0000636300000000, 0.0034695800000000, 0.0038238800000000 ] - [ -0.0004037000000000, -0.0005947200000000, -0.0002705400000000 ] - [ -0.0002958500000000, 0.0003347200000000, -0.0003245100000000 ] - [ -0.0007107500000000, -0.0000072600000000, -0.0001058800000000 ] - [ -0.0001797600000000, -0.0001472400000000, -0.0002778200000000 ] - [ 0.0001089100000000, -0.0006965200000000, -0.0004525600000000 ] - [ -0.0003212900000000, -0.0000403100000000, 0.0004849100000000 ] - [ 0.0005633800000000, -0.0007195300000000, 0.0000610600000000 ] - [ -0.0005229900000000, -0.0007066300000000, 0.0000782300000000 ] - [ 0.0005245200000000, -0.0002783100000000, -0.0019847200000000 ] - [ -0.0000018100000000, 0.0013453000000000, 0.0000930500000000 ] - [ -0.0004174300000000, 0.0002813700000000, -0.0002572500000000 ] - [ -0.0004805200000000, -0.0001671600000000, -0.0000708500000000 ] - [ 0.0000944900000000, -0.0038107700000000, -0.0001481900000000 ] - [ -0.0005508800000000, -0.0005683900000000, -0.0010367500000000 ] - [ 0.0546381600000000, 0.0838518300000000, -0.0354503000000000 ] - [ 0.0017199600000000, -0.0008687700000000, -0.0013202100000000 ] - [ 0.0007337500000000, 0.0000092000000000, -0.0005196800000000 ] - [ 0.0002676300000000, 0.0012399600000000, 0.0010180900000000 ] - [ -0.0012064700000000, -0.0008460400000000, 0.0006317900000000 ] - [ 0.0069949600000000, 0.0183054100000000, -0.0086810900000000 ] - [ 0.0002276200000000, -0.0000498000000000, 0.0005723900000000 ] - [ 0.0003992500000000, -0.0000538000000000, 0.0005973100000000 ] - [ 0.0008330300000000, 0.0003383100000000, -0.0005660200000000 ] - [ -0.0009098600000000, 0.0005516800000000, -0.0005132600000000 ] - [ -0.0011363500000000, 0.0014804700000000, -0.0009357500000000 ] - [ -0.0026868600000000, -0.0051404700000000, -0.0074657200000000 ] - [ 0.0047892600000000, -0.0032458800000000, -0.0025652600000000 ] - [ 0.0006725300000000, -0.0005256900000000, 0.0001789600000000 ] - [ 0.0012626600000000, 0.0023860300000000, 0.0000004300000000 ] - [ 0.0002533700000000, 0.0004316500000000, -0.0000203300000000 ] - [ -0.0030785800000000, -0.0006635700000000, 0.0034602100000000 ] - [ 0.0008177000000000, -0.0001674700000000, -0.0008897200000000 ] - [ -0.0002196900000000, 0.0013785100000000, -0.0000370400000000 ] - [ 0.0000568500000000, 0.0007445900000000, -0.0000172500000000 ] - [ -0.0812813400000000, -0.0889046000000000, 0.0988435100000000 ] - [ -0.0020376800000000, -0.0226912300000000, -0.0002335600000000 ] - [ -0.0015952600000000, 0.0015558200000000, 0.0007146600000000 ] - [ -0.0003322400000000, 0.0001403100000000, -0.0000580800000000 ] - [ -0.0036145500000000, 0.0026322100000000, -0.0006140600000000 ] - [ 0.0000976600000000, -0.0003040800000000, 0.0000957300000000 ] - [ -0.0001017000000000, 0.0026546300000000, 0.0007113500000000 ] - [ 0.0002032500000000, 0.0010137600000000, 0.0002357800000000 ] - [ 0.0001259300000000, -0.0002196800000000, -0.0003288100000000 ] - [ 0.0002134300000000, -0.0002321000000000, 0.0002676400000000 ] - [ 0.0005961100000000, 0.0004616000000000, 0.0000997900000000 ] - [ 0.0000563800000000, 0.0002651300000000, 0.0003674700000000 ] - [ 0.0000250900000000, -0.0012502600000000, 0.0000946700000000 ] - [ 0.0003741100000000, -0.0007077800000000, -0.0000427100000000 ] - [ -0.0003739500000000, 0.0009399900000000, -0.0004042200000000 ] - [ -0.0002698200000000, -0.0009299400000000, -0.0000992200000000 ] - [ 0.0014870800000000, 0.0007490000000000, 0.0023744700000000 ] - [ 0.0002933800000000, -0.0004539300000000, 0.0002361900000000 ] - [ 0.0003107900000000, -0.0005480400000000, 0.0004602600000000 ] - [ 0.0002799100000000, 0.0004112900000000, 0.0002727600000000 ] - [ -0.0006085100000000, 0.0009744800000000, -0.0002273300000000 ] - [ 0.0005253000000000, 0.0005430200000000, 0.0002736400000000 ] - [ 0.0285888800000000, -0.0064043100000000, -0.0385533400000000 ] - [ -0.0003934300000000, 0.0007829400000000, 0.0004894900000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007459900000000, -0.0001041400000000, -0.0001676200000000 ] - [ 0.0002750300000000, 0.0019072800000000, 0.0000107400000000 ] - [ -0.0001306000000000, 0.0004739000000000, 0.0000964400000000 ] - [ 0.0002914200000000, 0.0023851200000000, -0.0000830000000000 ] - [ 0.0031358300000000, -0.0002230100000000, 0.0003766200000000 ] - [ 0.0034678500000000, -0.0062069600000000, 0.0051140100000000 ] - [ -0.0028836900000000, -0.0185172800000000, 0.0071558900000000 ] - [ -0.0007810700000000, -0.0024198300000000, 0.0004595300000000 ] - [ -0.0008877300000000, 0.0069024500000000, -0.0016927800000000 ] - [ -0.0013574300000000, 0.0006111500000000, -0.0003167300000000 ] - [ -0.0018282900000000, -0.0025770700000000, -0.0002018900000000 ] - [ 0.0012106600000000, 0.0001180900000000, -0.0001942400000000 ] - [ -0.0002730100000000, 0.0020026200000000, 0.0002096800000000 ] - [ 0.0005802300000000, 0.0005817300000000, 0.0001266100000000 ] - [ 0.0001056500000000, -0.0002929000000000, -0.0000166300000000 ] - [ 0.0027554900000000, 0.0020490200000000, 0.0013511300000000 ] - [ 0.0000736300000000, 0.0003990900000000, -0.0002139500000000 ] - [ 0.0001257300000000, -0.0004227300000000, -0.0000784500000000 ] - [ -0.0000449200000000, 0.0001095700000000, 0.0001149400000000 ] - [ -0.0000280200000000, 0.0001695400000000, -0.0000588600000000 ] - [ -0.0000310000000000, 0.0000759700000000, 0.0000728100000000 ] - [ -0.0000651300000000, -0.0030835800000000, -0.0034446000000000 ] - [ 0.0002793000000000, 0.0004659800000000, -0.0001160300000000 ] - [ 0.0004252100000000, -0.0004674700000000, -0.0000595100000000 ] - [ 0.0005953300000000, 0.0001295100000000, -0.0002790400000000 ] - [ 0.0003053800000000, 0.0002705400000000, -0.0001054800000000 ] - [ 0.0000090000000000, 0.0008122400000000, 0.0008238300000000 ] - [ 0.0001884800000000, 0.0001757700000000, -0.0001052600000000 ] - [ -0.0004429300000000, 0.0005992100000000, 0.0003227700000000 ] - [ 0.0003946700000000, 0.0005823700000000, 0.0003041100000000 ] - [ -0.0006828600000000, 0.0002802600000000, 0.0025169200000000 ] - [ 0.0001560900000000, -0.0013693500000000, 0.0004168900000000 ] - [ 0.0004376300000000, -0.0004402800000000, 0.0007761800000000 ] - [ 0.0004952900000000, 0.0003228800000000, 0.0005826000000000 ] - [ 0.0000532300000000, 0.0037841800000000, -0.0003461900000000 ] - [ 0.0003981500000000, 0.0005974700000000, 0.0005318300000000 ] - [ -0.0552472200000000, -0.0845077200000000, 0.0350446400000000 ] - [ -0.0017429300000000, 0.0007194600000000, 0.0008158200000000 ] - [ -0.0007429200000000, -0.0000051500000000, -0.0004716200000000 ] - [ -0.0002539000000000, -0.0012335500000000, -0.0000164200000000 ] - [ 0.0000466600000000, 0.0008729000000000, 0.0004235400000000 ] - [ -0.0059754300000000, -0.0186258900000000, 0.0099082500000000 ] - [ -0.0002376800000000, -0.0011180500000000, 0.0004861400000000 ] - [ -0.0004148900000000, 0.0012179500000000, 0.0004633500000000 ] - [ 0.0003282000000000, -0.0003460900000000, -0.0004934100000000 ] - [ -0.0002595500000000, -0.0005525100000000, -0.0005435700000000 ] - [ 0.0011506300000000, -0.0003196700000000, -0.0001196700000000 ] - [ 0.0027031800000000, 0.0039934700000000, 0.0063742000000000 ] - [ -0.0049668500000000, 0.0031310900000000, 0.0025850300000000 ] - [ -0.0005542700000000, 0.0003923300000000, -0.0001736100000000 ] - [ -0.0014229000000000, -0.0022546400000000, 0.0000145900000000 ] - [ -0.0001095300000000, -0.0002838000000000, 0.0000375700000000 ] - [ 0.0032057300000000, 0.0008224400000000, -0.0034173700000000 ] - [ -0.0009679700000000, 0.0003019400000000, 0.0008684800000000 ] - [ 0.0003681200000000, -0.0015307100000000, 0.0000204900000000 ] - [ -0.0001956000000000, -0.0008922100000000, -0.0000000800000000 ] - [ 0.0817108000000000, 0.0904113900000000, -0.0995567100000000 ] - [ 0.0023708800000000, 0.0227016700000000, 0.0000490200000000 ] - [ 0.0009000400000000, -0.0016253200000000, -0.0009543100000000 ] - [ 0.0010550500000000, -0.0001989400000000, -0.0001731800000000 ] - [ 0.0036090300000000, -0.0032996200000000, 0.0003748600000000 ] - [ -0.0001665700000000, -0.0004245800000000, -0.0003259500000000 ] - [ 0.0001629400000000, -0.0019365800000000, -0.0009432300000000 ] - [ -0.0002658700000000, -0.0003225600000000, -0.0004774800000000 ] - [ 0.0005786500000000, 0.0001587500000000, 0.0005759300000000 ] - [ -0.0009421900000000, 0.0001730700000000, -0.0000354400000000 ] - [ 0.0001060100000000, -0.0004019700000000, 0.0001339100000000 ] - [ -0.0007750200000000, -0.0002080500000000, -0.0001380900000000 ] - [ -0.0000848300000000, 0.0019725900000000, 0.0001332200000000 ] - [ -0.0003180600000000, 0.0014369300000000, 0.0002732000000000 ] - [ 0.0003180100000000, -0.0016594600000000, 0.0006431300000000 ] - [ 0.0003348400000000, 0.0002328400000000, 0.0003358000000000 ] - [ -0.0016417400000000, -0.0007589900000000, -0.0021739000000000 ] - [ -0.0001592800000000, 0.0004644800000000, -0.0000149800000000 ] - [ -0.0003213700000000, 0.0004169300000000, -0.0002420900000000 ] - [ -0.0002864100000000, -0.0002740400000000, -0.0000526900000000 ] - [ 0.0007505800000000, -0.0009771900000000, -0.0000034000000000 ] - [ -0.0006705300000000, -0.0005566400000000, -0.0004954700000000 ] - [ -0.0284457500000000, 0.0061375600000000, 0.0380902600000000 ] - [ 0.0004013300000000, -0.0009251900000000, -0.0007120000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003944000000000, -0.0000800000000000, -0.0000478600000000 ] - [ -0.0008950300000000, 0.0036696400000000, -0.0003292300000000 ] - [ -0.0000005700000000, 0.0006881200000000, -0.0000971600000000 ] - [ 0.0000374600000000, 0.0005817900000000, 0.0001479400000000 ] - [ 0.0062091300000000, -0.0017662900000000, -0.0002522600000000 ] - [ 0.0128536800000000, -0.0049808600000000, 0.0166912300000000 ] - [ -0.0038514700000000, -0.0091297100000000, 0.0319015400000000 ] - [ -0.0041701000000000, -0.0028661500000000, 0.0034995800000000 ] - [ -0.0003457700000000, 0.0037185800000000, -0.0012957600000000 ] - [ -0.0010037900000000, 0.0003319500000000, -0.0000346300000000 ] - [ 0.0043194900000000, -0.0027934100000000, -0.0006685500000000 ] - [ 0.0021791000000000, 0.0001790100000000, 0.0000964400000000 ] - [ 0.0001513900000000, 0.0000636500000000, -0.0000582700000000 ] - [ 0.0007444300000000, 0.0007270200000000, 0.0004181900000000 ] - [ 0.0003267600000000, -0.0003382500000000, -0.0000451200000000 ] - [ 0.0005089200000000, 0.0006113800000000, 0.0015324300000000 ] - [ 0.0001151800000000, 0.0002811400000000, -0.0001529700000000 ] - [ 0.0003886800000000, -0.0003150000000000, 0.0001964500000000 ] - [ 0.0000763600000000, 0.0001671100000000, -0.0001832400000000 ] - [ 0.0002671400000000, -0.0002240000000000, -0.0002216700000000 ] - [ -0.0000128000000000, -0.0000816000000000, -0.0000017800000000 ] - [ 0.0014697800000000, -0.0064160700000000, -0.0072481700000000 ] - [ 0.0001298000000000, 0.0019819100000000, -0.0000170000000000 ] - [ 0.0004831700000000, -0.0004787400000000, -0.0000750500000000 ] - [ 0.0003177100000000, 0.0001247500000000, -0.0002367900000000 ] - [ 0.0003482500000000, 0.0002606200000000, -0.0000809100000000 ] - [ -0.0014012600000000, -0.0024829400000000, -0.0013537600000000 ] - [ -0.0005769300000000, 0.0005879200000000, -0.0007155800000000 ] - [ -0.0001512200000000, 0.0001301700000000, 0.0002129700000000 ] - [ -0.0003301500000000, -0.0000483900000000, 0.0000670400000000 ] - [ -0.0002229900000000, -0.0008846200000000, -0.0001141300000000 ] - [ 0.0001991700000000, -0.0008421000000000, 0.0000600000000000 ] - [ 0.0004023000000000, -0.0003231100000000, 0.0006440000000000 ] - [ 0.0007483900000000, 0.0001569800000000, 0.0002833900000000 ] - [ -0.0011422200000000, -0.0008671400000000, 0.0019790100000000 ] - [ 0.0007602200000000, 0.0015364100000000, 0.0016162100000000 ] - [ -0.1115060200000000, -0.0346452200000000, 0.1492610400000000 ] - [ -0.0012751600000000, 0.0003129200000000, 0.0006316500000000 ] - [ -0.0010131400000000, -0.0004348200000000, -0.0003579400000000 ] - [ 0.0011594400000000, 0.0004665600000000, 0.0010315200000000 ] - [ -0.0001685300000000, 0.0009535800000000, -0.0001461400000000 ] - [ -0.0022347200000000, -0.0106378200000000, 0.0028857200000000 ] - [ -0.0005933400000000, -0.0007836600000000, 0.0004525900000000 ] - [ -0.0015105700000000, 0.0011270500000000, 0.0005482000000000 ] - [ 0.0001619300000000, -0.0004216900000000, -0.0004258100000000 ] - [ -0.0012158700000000, 0.0007505400000000, -0.0004356100000000 ] - [ 0.0006903900000000, 0.0000268100000000, -0.0002217700000000 ] - [ 0.0105414100000000, -0.0006331000000000, 0.0207166000000000 ] - [ -0.0111684000000000, -0.0022911400000000, 0.0026705300000000 ] - [ -0.0008625000000000, 0.0007547300000000, -0.0001517400000000 ] - [ -0.0008958200000000, -0.0010519900000000, 0.0000565700000000 ] - [ -0.0001961900000000, -0.0002138300000000, -0.0000601800000000 ] - [ -0.0051526800000000, 0.0055837900000000, 0.0126110300000000 ] - [ -0.0006275700000000, 0.0004778000000000, 0.0011834100000000 ] - [ 0.0002794700000000, -0.0004694300000000, 0.0000762500000000 ] - [ 0.0002886100000000, -0.0003800000000000, 0.0000691900000000 ] - [ 0.1632467700000000, 0.0988776300000000, -0.2724128200000000 ] - [ 0.0058662600000000, -0.0001155200000000, -0.0234094900000000 ] - [ 0.0005886300000000, -0.0008800200000000, -0.0008294200000000 ] - [ 0.0009282500000000, -0.0000969600000000, -0.0001874300000000 ] - [ -0.0004383200000000, 0.0011183800000000, -0.0024431300000000 ] - [ -0.0008759100000000, -0.0009186200000000, -0.0005176900000000 ] - [ 0.0002524600000000, 0.0003933600000000, -0.0005223700000000 ] - [ -0.0003997500000000, -0.0010584500000000, -0.0011248800000000 ] - [ 0.0007505200000000, -0.0004947900000000, 0.0029137700000000 ] - [ -0.0011325500000000, 0.0001090400000000, 0.0000992500000000 ] - [ -0.0000363500000000, 0.0000592500000000, 0.0002778100000000 ] - [ -0.0008737100000000, -0.0002107700000000, -0.0000131200000000 ] - [ -0.0000638700000000, 0.0008921600000000, 0.0027913500000000 ] - [ 0.0005695500000000, 0.0012085700000000, 0.0007584500000000 ] - [ -0.0001996700000000, -0.0004251800000000, 0.0007591400000000 ] - [ 0.0002607200000000, 0.0000888100000000, 0.0003334900000000 ] - [ -0.0003504000000000, 0.0004083800000000, -0.0001307000000000 ] - [ -0.0000699300000000, 0.0003790500000000, 0.0003068700000000 ] - [ -0.0002921300000000, 0.0001140000000000, -0.0001542200000000 ] - [ -0.0002777900000000, 0.0000179200000000, 0.0001271900000000 ] - [ 0.0015462900000000, -0.0005657300000000, -0.0009815000000000 ] - [ -0.0016970200000000, -0.0013243600000000, -0.0008263300000000 ] - [ -0.0617114900000000, -0.0361881000000000, 0.0592500100000000 ] - [ 0.0003820700000000, -0.0007588900000000, -0.0005758800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003856300000000, 0.0000813200000000, -0.0004050600000000 ] - [ 0.0008959700000000, -0.0036558900000000, 0.0007761900000000 ] - [ 0.0000013400000000, -0.0006898300000000, 0.0000968300000000 ] - [ -0.0000373000000000, -0.0005737400000000, -0.0001479700000000 ] - [ -0.0061510700000000, 0.0017863600000000, 0.0001846700000000 ] - [ -0.0135442900000000, 0.0051084300000000, -0.0170452300000000 ] - [ 0.0029961200000000, 0.0075113300000000, -0.0293007000000000 ] - [ 0.0037886800000000, 0.0024324400000000, -0.0033231300000000 ] - [ 0.0007178600000000, -0.0033131900000000, 0.0012915900000000 ] - [ 0.0006155700000000, 0.0000289000000000, 0.0000395000000000 ] - [ -0.0046553000000000, 0.0031244600000000, 0.0006740600000000 ] - [ -0.0017718400000000, 0.0002163400000000, -0.0000833000000000 ] - [ -0.0005269500000000, -0.0004418700000000, 0.0000610800000000 ] - [ -0.0003604600000000, -0.0011021000000000, -0.0004130100000000 ] - [ 0.0000479700000000, 0.0003232900000000, -0.0003255100000000 ] - [ -0.0008704600000000, -0.0005948000000000, -0.0018875600000000 ] - [ -0.0001141500000000, 0.0000859800000000, -0.0002180100000000 ] - [ -0.0003826800000000, -0.0000540600000000, -0.0005668600000000 ] - [ -0.0004414400000000, -0.0001661900000000, 0.0005536000000000 ] - [ 0.0000999400000000, 0.0002195600000000, 0.0005896300000000 ] - [ 0.0000122900000000, -0.0002843900000000, 0.0003731600000000 ] - [ -0.0014387500000000, 0.0067712200000000, 0.0076310700000000 ] - [ -0.0002398800000000, -0.0020627400000000, -0.0003630100000000 ] - [ -0.0003753500000000, 0.0003666600000000, -0.0003116000000000 ] - [ -0.0004135200000000, -0.0000247300000000, -0.0001495700000000 ] - [ -0.0002443400000000, -0.0001599600000000, -0.0003031600000000 ] - [ 0.0014863300000000, 0.0025509200000000, 0.0017317500000000 ] - [ 0.0004706800000000, -0.0004840000000000, 0.0011101900000000 ] - [ 0.0002470100000000, -0.0002273900000000, 0.0001747800000000 ] - [ 0.0002293800000000, -0.0000507000000000, 0.0003192900000000 ] - [ 0.0000882300000000, 0.0009048500000000, 0.0005943300000000 ] - [ -0.0000621800000000, 0.0008319000000000, 0.0004165100000000 ] - [ -0.0003633600000000, 0.0001838400000000, -0.0001526600000000 ] - [ -0.0007403800000000, -0.0000189900000000, 0.0002061900000000 ] - [ 0.0012768500000000, 0.0008775600000000, -0.0024654600000000 ] - [ -0.0009026100000000, -0.0015095300000000, -0.0021147100000000 ] - [ 0.1160838800000000, 0.0359360500000000, -0.1504662400000000 ] - [ 0.0012583800000000, -0.0004510000000000, -0.0011190000000000 ] - [ 0.0009961100000000, 0.0004292000000000, -0.0006412100000000 ] - [ -0.0011490200000000, -0.0004638000000000, -0.0000353100000000 ] - [ -0.0009586300000000, -0.0009141600000000, 0.0011806600000000 ] - [ 0.0033493700000000, 0.0105196700000000, -0.0018255200000000 ] - [ 0.0005875100000000, -0.0003437400000000, 0.0006037800000000 ] - [ 0.0014885900000000, 0.0000062800000000, 0.0005067600000000 ] - [ 0.0009606400000000, 0.0004185700000000, -0.0006305300000000 ] - [ 0.0000833500000000, -0.0007386700000000, -0.0006216200000000 ] - [ -0.0006797300000000, 0.0010968800000000, -0.0008329600000000 ] - [ -0.0103073800000000, -0.0005933300000000, -0.0214505100000000 ] - [ 0.0107975800000000, 0.0021026400000000, -0.0026046000000000 ] - [ 0.0009844600000000, -0.0009151100000000, 0.0001651500000000 ] - [ 0.0007212900000000, 0.0012099500000000, -0.0000242100000000 ] - [ 0.0003578200000000, 0.0003849600000000, 0.0000945400000000 ] - [ 0.0052238200000000, -0.0053044400000000, -0.0124415300000000 ] - [ 0.0004623800000000, -0.0003173600000000, -0.0012440900000000 ] - [ -0.0001085100000000, 0.0002982400000000, -0.0001081200000000 ] - [ -0.0004540100000000, 0.0002124100000000, -0.0001028000000000 ] - [ -0.1672276500000000, -0.0995825300000000, 0.2707624700000000 ] - [ -0.0058098200000000, 0.0001556900000000, 0.0232566300000000 ] - [ -0.0013319000000000, 0.0008000600000000, 0.0006099400000000 ] - [ -0.0001639100000000, 0.0000298900000000, -0.0000247400000000 ] - [ 0.0005368400000000, -0.0018810200000000, 0.0022167200000000 ] - [ 0.0007911300000000, 0.0001416900000000, 0.0003077900000000 ] - [ -0.0001826700000000, 0.0003570200000000, 0.0003025700000000 ] - [ 0.0003263700000000, 0.0017985700000000, 0.0009058700000000 ] - [ -0.0000191500000000, 0.0004221700000000, -0.0026927300000000 ] - [ 0.0003482500000000, -0.0001806000000000, 0.0001170400000000 ] - [ 0.0007851500000000, 0.0000133900000000, -0.0000602400000000 ] - [ 0.0001158500000000, 0.0002819000000000, 0.0002281400000000 ] - [ -0.0000131600000000, -0.0001512800000000, -0.0025514500000000 ] - [ -0.0004887200000000, -0.0004494800000000, -0.0005372800000000 ] - [ 0.0001290000000000, -0.0003420300000000, -0.0005388300000000 ] - [ -0.0001856100000000, -0.0008345500000000, -0.0001158000000000 ] - [ 0.0001581500000000, -0.0004110300000000, 0.0004175900000000 ] - [ 0.0002536600000000, -0.0003712300000000, -0.0000114800000000 ] - [ 0.0002768700000000, -0.0003034200000000, 0.0004373600000000 ] - [ 0.0002740400000000, 0.0001725700000000, 0.0001548100000000 ] - [ -0.0013472900000000, 0.0005637900000000, 0.0007021400000000 ] - [ 0.0015113400000000, 0.0013198600000000, 0.0005533800000000 ] - [ 0.0629908900000000, 0.0373195200000000, -0.0603846600000000 ] - [ -0.0003778500000000, 0.0005664900000000, 0.0002941600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0025454400000000, 0.0000000000000000, 0.0006828400000000 ] - [ -0.0002020100000000, 0.0000000000000000, 0.0002256100000000 ] - [ -0.0020787100000000, -0.0002559800000000, 0.0002582200000000 ] - [ 0.0060807600000000, 0.0001303500000000, -0.0015058700000000 ] - [ -0.0020787100000000, 0.0002559800000000, 0.0002582200000000 ] - [ 0.0060807600000000, -0.0001303500000000, -0.0015058700000000 ] - [ -0.0023095100000000, -0.0064380400000000, 0.0053463300000000 ] - [ -0.0030240200000000, -0.0001915700000000, -0.0002248800000000 ] - [ -0.0023095100000000, 0.0064380400000000, 0.0053463300000000 ] - [ -0.0030240200000000, 0.0001915700000000, -0.0002248800000000 ] - [ 0.0021059200000000, 0.0002055700000000, -0.0004682200000000 ] - [ -0.0009131600000000, 0.0007657300000000, -0.0004460800000000 ] - [ 0.0021059200000000, -0.0002055700000000, -0.0004682200000000 ] - [ -0.0009131600000000, -0.0007657300000000, -0.0004460800000000 ] - [ -0.0003284400000000, 0.0000000000000000, 0.0001132400000000 ] - [ 0.0064074300000000, 0.0000000000000000, -0.0017108400000000 ] - [ 0.0000784200000000, -0.0002540200000000, 0.0004807100000000 ] - [ 0.0000784200000000, 0.0002540200000000, 0.0004807100000000 ] - [ -0.0004167500000000, 0.0000000000000000, 0.0002305000000000 ] - [ 0.0005090500000000, 0.0000000000000000, 0.0002277000000000 ] - [ -0.0004549100000000, 0.0001844300000000, 0.0001420800000000 ] - [ -0.0004549100000000, -0.0001844300000000, 0.0001420800000000 ] - [ 0.0012043600000000, 0.0008485900000000, 0.0010890100000000 ] - [ -0.0005753500000000, 0.0004198100000000, -0.0001585500000000 ] - [ 0.0012043600000000, -0.0008485900000000, 0.0010890100000000 ] - [ -0.0005753500000000, -0.0004198100000000, -0.0001585500000000 ] - [ -0.0002467600000000, -0.0000467300000000, 0.0001385700000000 ] - [ -0.0003668800000000, 0.0001076700000000, 0.0001348500000000 ] - [ -0.0002467600000000, 0.0000467300000000, 0.0001385700000000 ] - [ -0.0003668800000000, -0.0001076700000000, 0.0001348500000000 ] - [ 0.1398650800000000, 0.0000000000000000, -0.1235768700000000 ] - [ -0.0011311900000000, 0.0000000000000000, -0.0015849700000000 ] - [ 0.0006624200000000, 0.0025276800000000, -0.0048631900000000 ] - [ 0.0006624200000000, -0.0025276800000000, -0.0048631900000000 ] - [ 0.0002814800000000, 0.0000000000000000, -0.0004570900000000 ] - [ -0.0004076700000000, 0.0000000000000000, -0.0006634700000000 ] - [ -0.0027006500000000, -0.0003030900000000, 0.0000921400000000 ] - [ -0.0027006500000000, 0.0003030900000000, 0.0000921400000000 ] - [ 0.0002383700000000, 0.0000000000000000, -0.0006656500000000 ] - [ 0.0004132900000000, 0.0000000000000000, 0.0005100100000000 ] - [ 0.0005581400000000, 0.0000000000000000, 0.0004873500000000 ] - [ 0.0009590400000000, 0.0000000000000000, 0.0041224300000000 ] - [ -0.0004300300000000, -0.0002910400000000, 0.0003629600000000 ] - [ -0.0004300300000000, 0.0002910400000000, 0.0003629600000000 ] - [ 0.0010031500000000, 0.0000000000000000, -0.0004059900000000 ] - [ -0.0013765300000000, 0.0000000000000000, -0.0003677600000000 ] - [ 0.0018641300000000, -0.0001526800000000, -0.0005652300000000 ] - [ 0.0018641300000000, 0.0001526800000000, -0.0005652300000000 ] - [ -0.0032732600000000, 0.0001100900000000, -0.0033824300000000 ] - [ 0.0012261200000000, -0.0004294400000000, -0.0000576200000000 ] - [ -0.0032732600000000, -0.0001100900000000, -0.0033824300000000 ] - [ 0.0012261200000000, 0.0004294400000000, -0.0000576200000000 ] - [ -0.0005255400000000, 0.0014997500000000, -0.0003931300000000 ] - [ 0.0010634600000000, 0.0001064300000000, 0.0000191500000000 ] - [ -0.0005255400000000, -0.0014997500000000, -0.0003931300000000 ] - [ 0.0010634600000000, -0.0001064300000000, 0.0000191500000000 ] - [ 0.0009812600000000, 0.0015976400000000, -0.0003429100000000 ] - [ 0.0019678600000000, -0.0001963000000000, 0.0000704800000000 ] - [ 0.0009812600000000, -0.0015976400000000, -0.0003429100000000 ] - [ 0.0019678600000000, 0.0001963000000000, 0.0000704800000000 ] - [ -0.0004531400000000, -0.0002409700000000, 0.0001152300000000 ] - [ 0.0003132100000000, -0.0005207000000000, -0.0000135000000000 ] - [ -0.0004531400000000, 0.0002409700000000, 0.0001152300000000 ] - [ 0.0003132100000000, 0.0005207000000000, -0.0000135000000000 ] - [ -0.0019527800000000, -0.0007045600000000, 0.0015316000000000 ] - [ 0.0008751200000000, -0.0006243700000000, 0.0016893800000000 ] - [ -0.0019527800000000, 0.0007045600000000, 0.0015316000000000 ] - [ 0.0008751200000000, 0.0006243700000000, 0.0016893800000000 ] - [ -0.0064978400000000, 0.0244050500000000, -0.0367074900000000 ] - [ 0.0008791400000000, -0.0001682800000000, 0.0007492100000000 ] - [ -0.0064978400000000, -0.0244050500000000, -0.0367074900000000 ] - [ 0.0008791400000000, 0.0001682800000000, 0.0007492100000000 ] - [ -0.1426824500000000, 0.0000000000000000, 0.1919975200000000 ] - [ 0.0019332700000000, 0.0000000000000000, 0.0009087800000000 ] - [ 0.0015811500000000, -0.0047176900000000, 0.0020067500000000 ] - [ 0.0015811500000000, 0.0047176900000000, 0.0020067500000000 ] - [ -0.0002512300000000, 0.0000000000000000, -0.0000087300000000 ] - [ 0.0004314100000000, 0.0000000000000000, 0.0000666500000000 ] - [ 0.0007447200000000, 0.0005767900000000, -0.0001631800000000 ] - [ 0.0007447200000000, -0.0005767900000000, -0.0001631800000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031036300000000, 0.0000000000000000, -0.0010713600000000 ] - [ 0.0002042600000000, 0.0000000000000000, 0.0002253600000000 ] - [ 0.0020913000000000, 0.0002599100000000, -0.0002591200000000 ] - [ -0.0060977500000000, -0.0001668000000000, 0.0015182800000000 ] - [ 0.0020913000000000, -0.0002599100000000, -0.0002591200000000 ] - [ -0.0060977500000000, 0.0001668000000000, 0.0015182800000000 ] - [ 0.0026743900000000, 0.0061060400000000, -0.0054296600000000 ] - [ 0.0026835400000000, -0.0001761200000000, 0.0002218400000000 ] - [ 0.0026743900000000, -0.0061060400000000, -0.0054296600000000 ] - [ 0.0026835400000000, 0.0001761200000000, 0.0002218400000000 ] - [ -0.0024888500000000, 0.0001589200000000, 0.0004728000000000 ] - [ 0.0012834500000000, -0.0004071700000000, 0.0004483200000000 ] - [ -0.0024888500000000, -0.0001589200000000, 0.0004728000000000 ] - [ 0.0012834500000000, 0.0004071700000000, 0.0004483200000000 ] - [ 0.0007118200000000, 0.0000000000000000, -0.0005011700000000 ] - [ -0.0067194500000000, 0.0000000000000000, 0.0014641600000000 ] - [ -0.0000796400000000, 0.0006376100000000, -0.0008702500000000 ] - [ -0.0000796400000000, -0.0006376100000000, -0.0008702500000000 ] - [ 0.0000376000000000, 0.0000000000000000, 0.0001542600000000 ] - [ -0.0001312400000000, 0.0000000000000000, 0.0001564200000000 ] - [ 0.0004610000000000, -0.0005698700000000, 0.0002463200000000 ] - [ 0.0004610000000000, 0.0005698700000000, 0.0002463200000000 ] - [ -0.0013333400000000, -0.0009793200000000, -0.0014750500000000 ] - [ 0.0007008500000000, -0.0005451200000000, -0.0002258200000000 ] - [ -0.0013333400000000, 0.0009793200000000, -0.0014750500000000 ] - [ 0.0007008500000000, 0.0005451200000000, -0.0002258200000000 ] - [ 0.0003706800000000, 0.0001694500000000, 0.0002451600000000 ] - [ 0.0002483200000000, 0.0000129100000000, 0.0002493000000000 ] - [ 0.0003706800000000, -0.0001694500000000, 0.0002451600000000 ] - [ 0.0002483200000000, -0.0000129100000000, 0.0002493000000000 ] - [ -0.1400064100000000, 0.0000000000000000, 0.1199397500000000 ] - [ 0.0012953700000000, 0.0000000000000000, 0.0021123400000000 ] - [ -0.0006679200000000, -0.0026996000000000, 0.0054053500000000 ] - [ -0.0006679200000000, 0.0026996000000000, 0.0054053500000000 ] - [ -0.0001284500000000, 0.0000000000000000, -0.0000519000000000 ] - [ 0.0002556600000000, 0.0000000000000000, 0.0001548400000000 ] - [ 0.0027043300000000, 0.0004530700000000, -0.0005958800000000 ] - [ 0.0027043300000000, -0.0004530700000000, -0.0005958800000000 ] - [ -0.0002401100000000, 0.0000000000000000, -0.0003310500000000 ] - [ -0.0004172300000000, 0.0000000000000000, 0.0004806900000000 ] - [ -0.0017297700000000, 0.0000000000000000, 0.0005733600000000 ] - [ 0.0002014800000000, 0.0000000000000000, -0.0029828600000000 ] - [ 0.0004342000000000, -0.0008775400000000, 0.0006964900000000 ] - [ 0.0004342000000000, 0.0008775400000000, 0.0006964900000000 ] - [ 0.0001607100000000, 0.0000000000000000, -0.0006524100000000 ] - [ 0.0002164700000000, 0.0000000000000000, -0.0006910300000000 ] - [ -0.0018968900000000, 0.0013261800000000, -0.0004793400000000 ] - [ -0.0018968900000000, -0.0013261800000000, -0.0004793400000000 ] - [ 0.0031380900000000, -0.0002589400000000, 0.0033924800000000 ] - [ -0.0010848100000000, 0.0002852100000000, 0.0000748500000000 ] - [ 0.0031380900000000, 0.0002589400000000, 0.0033924800000000 ] - [ -0.0010848100000000, -0.0002852100000000, 0.0000748500000000 ] - [ 0.0006778500000000, -0.0013624400000000, 0.0003833900000000 ] - [ -0.0012206800000000, 0.0000417000000000, -0.0000362300000000 ] - [ 0.0006778500000000, 0.0013624400000000, 0.0003833900000000 ] - [ -0.0012206800000000, -0.0000417000000000, -0.0000362300000000 ] - [ -0.0016893400000000, -0.0015324000000000, 0.0001166200000000 ] - [ -0.0012650300000000, 0.0002557000000000, -0.0003030900000000 ] - [ -0.0016893400000000, 0.0015324000000000, 0.0001166200000000 ] - [ -0.0012650300000000, -0.0002557000000000, -0.0003030900000000 ] - [ 0.0005133800000000, -0.0004727500000000, -0.0003508500000000 ] - [ -0.0003720700000000, -0.0001882600000000, -0.0002169200000000 ] - [ 0.0005133800000000, 0.0004727500000000, -0.0003508500000000 ] - [ -0.0003720700000000, 0.0001882600000000, -0.0002169200000000 ] - [ 0.0026807900000000, 0.0006531800000000, -0.0013101700000000 ] - [ -0.0015931400000000, 0.0005700500000000, -0.0014686300000000 ] - [ 0.0026807900000000, -0.0006531800000000, -0.0013101700000000 ] - [ -0.0015931400000000, -0.0005700500000000, -0.0014686300000000 ] - [ 0.0060453900000000, -0.0236363500000000, 0.0368406000000000 ] - [ -0.0008277500000000, 0.0008843700000000, -0.0005249000000000 ] - [ 0.0060453900000000, 0.0236363500000000, 0.0368406000000000 ] - [ -0.0008277500000000, -0.0008843700000000, -0.0005249000000000 ] - [ 0.1438860000000000, 0.0000000000000000, -0.1876052500000000 ] - [ -0.0018054600000000, 0.0000000000000000, -0.0006952500000000 ] - [ -0.0015918900000000, 0.0046174500000000, -0.0017912300000000 ] - [ -0.0015918900000000, -0.0046174500000000, -0.0017912300000000 ] - [ 0.0003867300000000, 0.0000000000000000, -0.0002141500000000 ] - [ -0.0005719000000000, 0.0000000000000000, -0.0002899100000000 ] - [ -0.0007496900000000, -0.0004433400000000, -0.0000621000000000 ] - [ -0.0007496900000000, 0.0004433400000000, -0.0000621000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000156100000000, 0.0025594200000000, -0.0002194800000000 ] - [ -0.0000012100000000, -0.0010645700000000, 0.0002245300000000 ] - [ -0.0002383500000000, -0.0000272000000000, 0.0000593800000000 ] - [ 0.0010920000000000, -0.0120070900000000, 0.0015390300000000 ] - [ 0.0002446800000000, -0.0000262000000000, -0.0000589300000000 ] - [ -0.0010852300000000, -0.0119075800000000, -0.0015349700000000 ] - [ -0.0036457000000000, -0.0006377300000000, 0.0067543200000000 ] - [ -0.0017120300000000, 0.0009950300000000, -0.0001653600000000 ] - [ 0.0040504500000000, -0.0003058900000000, -0.0068947200000000 ] - [ 0.0013634100000000, 0.0013596900000000, 0.0001587100000000 ] - [ 0.0006793700000000, -0.0036809400000000, 0.0006236500000000 ] - [ 0.0010565200000000, -0.0009519300000000, 0.0006386400000000 ] - [ -0.0010559200000000, -0.0040571400000000, -0.0006307200000000 ] - [ -0.0006850700000000, -0.0013173600000000, -0.0006386900000000 ] - [ 0.0001928800000000, 0.0002075000000000, -0.0001963100000000 ] - [ -0.0002726100000000, 0.0025830500000000, -0.0002569800000000 ] - [ -0.0002468400000000, -0.0001776600000000, 0.0002639400000000 ] - [ 0.0002470500000000, -0.0005626600000000, -0.0006578900000000 ] - [ -0.0001918100000000, -0.0002634600000000, 0.0001952200000000 ] - [ 0.0001918100000000, -0.0006142900000000, 0.0001965500000000 ] - [ 0.0006847900000000, -0.0005121400000000, 0.0001836700000000 ] - [ -0.0006758600000000, -0.0001186300000000, 0.0002108100000000 ] - [ 0.0011594500000000, 0.0012164000000000, -0.0005291100000000 ] - [ -0.0000781100000000, 0.0003993900000000, -0.0003124400000000 ] - [ -0.0012932500000000, 0.0013557200000000, 0.0001374800000000 ] - [ 0.0002103700000000, 0.0005306700000000, -0.0000698200000000 ] - [ -0.0007017900000000, -0.0007340100000000, 0.0003235100000000 ] - [ 0.0000620400000000, -0.0004168700000000, 0.0002868300000000 ] - [ 0.0008369500000000, -0.0008655600000000, 0.0000587700000000 ] - [ -0.0001914600000000, -0.0005479800000000, 0.0000950900000000 ] - [ -0.0004725100000000, 0.0943650400000000, 0.0010905300000000 ] - [ 0.0000799400000000, 0.0021363100000000, 0.0002608300000000 ] - [ 0.0026338200000000, -0.0009779500000000, 0.0022200900000000 ] - [ -0.0026327200000000, -0.0008140100000000, -0.0016874800000000 ] - [ 0.0000794000000000, -0.0052436500000000, -0.0002619900000000 ] - [ -0.0000771700000000, -0.0018490100000000, -0.0002574100000000 ] - [ -0.0031517600000000, -0.0002363800000000, 0.0001778300000000 ] - [ 0.0031395300000000, -0.0003895600000000, -0.0006832300000000 ] - [ -0.0000009500000000, -0.0015488000000000, -0.0004912400000000 ] - [ -0.0000012600000000, 0.0012281500000000, 0.0004985800000000 ] - [ -0.0005856800000000, -0.0012939700000000, 0.0005317000000000 ] - [ 0.0006143400000000, -0.0065122400000000, 0.0005797500000000 ] - [ 0.0006897500000000, 0.0001742800000000, 0.0005068900000000 ] - [ -0.0006906800000000, 0.0013426100000000, 0.0005558500000000 ] - [ 0.0005828200000000, 0.0012588300000000, -0.0005305700000000 ] - [ -0.0005817300000000, 0.0023568300000000, -0.0005297400000000 ] - [ -0.0030386600000000, 0.0006809100000000, 0.0002724100000000 ] - [ 0.0030125200000000, -0.0004927400000000, -0.0013146800000000 ] - [ -0.0013522800000000, 0.0013009600000000, 0.0015927000000000 ] - [ 0.0000334200000000, -0.0005990200000000, 0.0001069100000000 ] - [ 0.0012123600000000, 0.0014491000000000, -0.0015372400000000 ] - [ 0.0001062000000000, -0.0004555900000000, -0.0000849700000000 ] - [ 0.0007161500000000, 0.0027979100000000, -0.0007531100000000 ] - [ 0.0001424900000000, 0.0007226500000000, -0.0001069500000000 ] - [ -0.0005716400000000, 0.0026783900000000, 0.0007375900000000 ] - [ -0.0002935200000000, 0.0005796100000000, 0.0000836900000000 ] - [ 0.0021684400000000, 0.0007873600000000, 0.0002947900000000 ] - [ 0.0020743600000000, -0.0004287000000000, 0.0002565200000000 ] - [ -0.0028561300000000, 0.0007201200000000, -0.0005245900000000 ] - [ -0.0013675400000000, -0.0004897600000000, -0.0004917200000000 ] - [ 0.0003459000000000, 0.0034674000000000, -0.0003999800000000 ] - [ -0.0003143000000000, 0.0007748500000000, -0.0003941100000000 ] - [ -0.0002856600000000, 0.0041727800000000, 0.0001693400000000 ] - [ 0.0002516000000000, 0.0014779700000000, 0.0001578200000000 ] - [ -0.0010683600000000, 0.0009416100000000, -0.0004520400000000 ] - [ -0.0023341000000000, 0.0005204500000000, -0.0012056100000000 ] - [ 0.0017783400000000, 0.0010088300000000, 0.0006759300000000 ] - [ 0.0016248000000000, 0.0005785300000000, 0.0014374900000000 ] - [ 0.0285885600000000, 0.0103057400000000, -0.0624418100000000 ] - [ 0.0004258300000000, -0.0009226400000000, 0.0004972800000000 ] - [ -0.0284477700000000, 0.0098200500000000, 0.0622492500000000 ] - [ -0.0003684300000000, -0.0016277800000000, -0.0002637400000000 ] - [ 0.0001336700000000, -0.1014541000000000, -0.0002036300000000 ] - [ 0.0000624000000000, -0.0008147300000000, 0.0001040600000000 ] - [ -0.0025353000000000, 0.0015308800000000, -0.0003589500000000 ] - [ 0.0025168300000000, 0.0016446900000000, 0.0005661800000000 ] - [ 0.0000639000000000, 0.0027051500000000, -0.0001053200000000 ] - [ -0.0000656600000000, 0.0007193900000000, -0.0001070500000000 ] - [ 0.0011592600000000, 0.0008087800000000, -0.0002270700000000 ] - [ -0.0011549400000000, 0.0006845100000000, 0.0000054800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020211100000000, 0.0000000000000000, 0.0006373700000000 ] - [ 0.0001386300000000, 0.0000000000000000, 0.0003678600000000 ] - [ 0.0006413800000000, 0.0001819300000000, 0.0001811100000000 ] - [ -0.0021925600000000, 0.0019946800000000, 0.0086108200000000 ] - [ 0.0006413800000000, -0.0001819300000000, 0.0001811100000000 ] - [ -0.0021925600000000, -0.0019946800000000, 0.0086108200000000 ] - [ 0.0028228200000000, -0.0007416900000000, -0.0212034400000000 ] - [ 0.0018751000000000, -0.0005788000000000, -0.0010292600000000 ] - [ 0.0028228200000000, 0.0007416900000000, -0.0212034400000000 ] - [ 0.0018751000000000, 0.0005788000000000, -0.0010292600000000 ] - [ -0.0018225900000000, -0.0011758600000000, -0.0013074900000000 ] - [ 0.0008026100000000, -0.0001561900000000, -0.0001264700000000 ] - [ -0.0018225900000000, 0.0011758600000000, -0.0013074900000000 ] - [ 0.0008026100000000, 0.0001561900000000, -0.0001264700000000 ] - [ 0.0002264400000000, 0.0000000000000000, -0.0002598600000000 ] - [ -0.0104161100000000, 0.0000000000000000, -0.0186063100000000 ] - [ 0.0001062100000000, 0.0004625900000000, -0.0002892500000000 ] - [ 0.0001062100000000, -0.0004625900000000, -0.0002892500000000 ] - [ -0.0001131100000000, 0.0000000000000000, 0.0002139600000000 ] - [ 0.0000478100000000, 0.0000000000000000, 0.0003405300000000 ] - [ 0.0014671400000000, -0.0013938500000000, 0.0008065000000000 ] - [ 0.0014671400000000, 0.0013938500000000, 0.0008065000000000 ] - [ 0.0003540100000000, -0.0006926600000000, -0.0027330000000000 ] - [ 0.0004070900000000, -0.0003096200000000, -0.0001512900000000 ] - [ 0.0003540100000000, 0.0006926600000000, -0.0027330000000000 ] - [ 0.0004070900000000, 0.0003096200000000, -0.0001512900000000 ] - [ 0.0006947100000000, 0.0001300100000000, 0.0003223000000000 ] - [ 0.0001343900000000, 0.0000578800000000, 0.0002286000000000 ] - [ 0.0006947100000000, -0.0001300100000000, 0.0003223000000000 ] - [ 0.0001343900000000, -0.0000578800000000, 0.0002286000000000 ] - [ -0.1093004900000000, 0.0000000000000000, 0.3191853300000000 ] - [ 0.0007257200000000, 0.0000000000000000, 0.0013734200000000 ] - [ -0.0015079600000000, -0.0012702400000000, 0.0029998100000000 ] - [ -0.0015079600000000, 0.0012702400000000, 0.0029998100000000 ] - [ 0.0000019700000000, 0.0000000000000000, -0.0001451400000000 ] - [ 0.0000802000000000, 0.0000000000000000, -0.0000434900000000 ] - [ -0.0022009800000000, -0.0009911200000000, 0.0022729400000000 ] - [ -0.0022009800000000, 0.0009911200000000, 0.0022729400000000 ] - [ -0.0006651200000000, 0.0000000000000000, 0.0011446700000000 ] - [ -0.0004495200000000, 0.0000000000000000, 0.0006299100000000 ] - [ -0.0008072900000000, 0.0000000000000000, 0.0010011900000000 ] - [ 0.0121456400000000, 0.0000000000000000, 0.0299662500000000 ] - [ -0.0001481300000000, -0.0009987400000000, 0.0006684600000000 ] - [ -0.0001481300000000, 0.0009987400000000, 0.0006684600000000 ] - [ 0.0003590700000000, 0.0000000000000000, -0.0005081200000000 ] - [ 0.0000448500000000, 0.0000000000000000, -0.0004844200000000 ] - [ -0.0046761000000000, 0.0013307200000000, 0.0024974900000000 ] - [ -0.0046761000000000, -0.0013307200000000, 0.0024974900000000 ] - [ 0.0006380300000000, 0.0037270200000000, 0.0072387400000000 ] - [ -0.0004397900000000, 0.0001963600000000, 0.0001060300000000 ] - [ 0.0006380300000000, -0.0037270200000000, 0.0072387400000000 ] - [ -0.0004397900000000, -0.0001963600000000, 0.0001060300000000 ] - [ 0.0007396700000000, -0.0022201800000000, 0.0015142800000000 ] - [ -0.0008817900000000, -0.0000785500000000, 0.0000311200000000 ] - [ 0.0007396700000000, 0.0022201800000000, 0.0015142800000000 ] - [ -0.0008817900000000, 0.0000785500000000, 0.0000311200000000 ] - [ 0.0018844500000000, 0.0023018300000000, -0.0004242000000000 ] - [ 0.0006837000000000, 0.0001546900000000, 0.0000131800000000 ] - [ 0.0018844500000000, -0.0023018300000000, -0.0004242000000000 ] - [ 0.0006837000000000, -0.0001546900000000, 0.0000131800000000 ] - [ 0.0003800000000000, -0.0003966700000000, -0.0004413900000000 ] - [ -0.0001909200000000, -0.0002528100000000, -0.0001548500000000 ] - [ 0.0003800000000000, 0.0003966700000000, -0.0004413900000000 ] - [ -0.0001909200000000, 0.0002528100000000, -0.0001548500000000 ] - [ 0.0021843600000000, -0.0001443600000000, -0.0006899000000000 ] - [ -0.0005076100000000, 0.0003514000000000, -0.0005403100000000 ] - [ 0.0021843600000000, 0.0001443600000000, -0.0006899000000000 ] - [ -0.0005076100000000, -0.0003514000000000, -0.0005403100000000 ] - [ -0.0379150200000000, -0.0508720900000000, 0.0595111100000000 ] - [ -0.0005664600000000, 0.0007318200000000, -0.0002884200000000 ] - [ -0.0379150200000000, 0.0508720900000000, 0.0595111100000000 ] - [ -0.0005664600000000, -0.0007318200000000, -0.0002884200000000 ] - [ 0.1823637100000000, 0.0000000000000000, -0.4420470400000000 ] - [ -0.0007208400000000, 0.0000000000000000, -0.0005334600000000 ] - [ -0.0004521400000000, 0.0018057400000000, -0.0014652300000000 ] - [ -0.0004521400000000, -0.0018057400000000, -0.0014652300000000 ] - [ 0.0001742600000000, 0.0000000000000000, -0.0003766600000000 ] - [ -0.0002525700000000, 0.0000000000000000, -0.0002606000000000 ] - [ -0.0001158000000000, 0.0000251100000000, -0.0019557200000000 ] - [ -0.0001158000000000, -0.0000251100000000, -0.0019557200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020716800000000, 0.0000000000000000, -0.0010696900000000 ] - [ -0.0001391900000000, 0.0000000000000000, 0.0000842100000000 ] - [ -0.0006580800000000, -0.0001818800000000, -0.0001815500000000 ] - [ 0.0022398300000000, -0.0020982400000000, -0.0086474000000000 ] - [ -0.0006580800000000, 0.0001818800000000, -0.0001815500000000 ] - [ 0.0022398300000000, 0.0020982400000000, -0.0086474000000000 ] - [ -0.0024500600000000, 0.0003143000000000, 0.0212888900000000 ] - [ -0.0022696200000000, 0.0002123800000000, 0.0010346500000000 ] - [ -0.0024500600000000, -0.0003143000000000, 0.0212888900000000 ] - [ -0.0022696200000000, -0.0002123800000000, 0.0010346500000000 ] - [ 0.0014814000000000, 0.0015367200000000, 0.0013078800000000 ] - [ -0.0004516500000000, 0.0005221900000000, 0.0001221000000000 ] - [ 0.0014814000000000, -0.0015367200000000, 0.0013078800000000 ] - [ -0.0004516500000000, -0.0005221900000000, 0.0001221000000000 ] - [ 0.0001508000000000, 0.0000000000000000, -0.0001210900000000 ] - [ 0.0099632700000000, 0.0000000000000000, 0.0180893800000000 ] - [ -0.0001062500000000, -0.0000850000000000, -0.0000880900000000 ] - [ -0.0001062500000000, 0.0000850000000000, -0.0000880900000000 ] - [ -0.0002695800000000, 0.0000000000000000, 0.0001678700000000 ] - [ 0.0003344000000000, 0.0000000000000000, 0.0000385200000000 ] - [ -0.0014798400000000, 0.0010246200000000, -0.0004330700000000 ] - [ -0.0014798400000000, -0.0010246200000000, -0.0004330700000000 ] - [ -0.0004625200000000, 0.0005747700000000, 0.0023497500000000 ] - [ -0.0002921400000000, 0.0001926800000000, -0.0002342500000000 ] - [ -0.0004625200000000, -0.0005747700000000, 0.0023497500000000 ] - [ -0.0002921400000000, -0.0001926800000000, -0.0002342500000000 ] - [ -0.0005782100000000, -0.0000108200000000, 0.0000619500000000 ] - [ -0.0002568800000000, 0.0000612200000000, 0.0001550700000000 ] - [ -0.0005782100000000, 0.0000108200000000, 0.0000619500000000 ] - [ -0.0002568800000000, -0.0000612200000000, 0.0001550700000000 ] - [ 0.1221547300000000, 0.0000000000000000, -0.3427076100000000 ] - [ -0.0005796700000000, 0.0000000000000000, -0.0008812900000000 ] - [ 0.0015051200000000, 0.0011403200000000, -0.0025361700000000 ] - [ 0.0015051200000000, -0.0011403200000000, -0.0025361700000000 ] - [ 0.0001533400000000, 0.0000000000000000, -0.0003626200000000 ] - [ -0.0002385800000000, 0.0000000000000000, -0.0004691500000000 ] - [ 0.0022073700000000, 0.0011540400000000, -0.0027939100000000 ] - [ 0.0022073700000000, -0.0011540400000000, -0.0027939100000000 ] - [ 0.0006633600000000, 0.0000000000000000, -0.0021151100000000 ] - [ 0.0004526900000000, 0.0000000000000000, 0.0003510900000000 ] - [ -0.0003411800000000, 0.0000000000000000, 0.0000550200000000 ] - [ -0.0106841700000000, 0.0000000000000000, -0.0284150800000000 ] - [ 0.0001455700000000, -0.0001589300000000, 0.0003908800000000 ] - [ 0.0001455700000000, 0.0001589300000000, 0.0003908800000000 ] - [ 0.0008038900000000, 0.0000000000000000, -0.0005531500000000 ] - [ -0.0012122600000000, 0.0000000000000000, -0.0005764300000000 ] - [ 0.0047339800000000, -0.0001946300000000, -0.0035740700000000 ] - [ 0.0047339800000000, 0.0001946300000000, -0.0035740700000000 ] - [ -0.0008130000000000, -0.0038423200000000, -0.0072436100000000 ] - [ 0.0005945300000000, -0.0003428100000000, -0.0000987800000000 ] - [ -0.0008130000000000, 0.0038423200000000, -0.0072436100000000 ] - [ 0.0005945300000000, 0.0003428100000000, -0.0000987800000000 ] - [ -0.0006073200000000, 0.0023960100000000, -0.0015294900000000 ] - [ 0.0007483800000000, 0.0002276200000000, -0.0000409000000000 ] - [ -0.0006073200000000, -0.0023960100000000, -0.0015294900000000 ] - [ 0.0007483800000000, -0.0002276200000000, -0.0000409000000000 ] - [ -0.0026150500000000, -0.0022400200000000, 0.0001794000000000 ] - [ 0.0000382700000000, -0.0000917400000000, -0.0002476200000000 ] - [ -0.0026150500000000, 0.0022400200000000, 0.0001794000000000 ] - [ 0.0000382700000000, 0.0000917400000000, -0.0002476200000000 ] - [ -0.0003197100000000, -0.0003216400000000, 0.0002053700000000 ] - [ 0.0001303600000000, -0.0004670800000000, -0.0000746800000000 ] - [ -0.0003197100000000, 0.0003216400000000, 0.0002053700000000 ] - [ 0.0001303600000000, 0.0004670800000000, -0.0000746800000000 ] - [ -0.0014816400000000, 0.0000767800000000, 0.0009357300000000 ] - [ -0.0001992100000000, -0.0004201700000000, 0.0007831500000000 ] - [ -0.0014816400000000, -0.0000767800000000, 0.0009357300000000 ] - [ -0.0001992100000000, 0.0004201700000000, 0.0007831500000000 ] - [ 0.0387320800000000, 0.0525817200000000, -0.0601786500000000 ] - [ 0.0006382600000000, -0.0000160300000000, 0.0005231000000000 ] - [ 0.0387320800000000, -0.0525817200000000, -0.0601786500000000 ] - [ 0.0006382600000000, 0.0000160300000000, 0.0005231000000000 ] - [ -0.1975859900000000, 0.0000000000000000, 0.4677813200000000 ] - [ 0.0008841300000000, 0.0000000000000000, 0.0007708900000000 ] - [ 0.0004719400000000, -0.0019903900000000, 0.0017085800000000 ] - [ 0.0004719400000000, 0.0019903900000000, 0.0017085800000000 ] - [ -0.0000306400000000, 0.0000000000000000, 0.0001449100000000 ] - [ 0.0001060900000000, 0.0000000000000000, 0.0000299600000000 ] - [ 0.0001172200000000, 0.0001270200000000, 0.0017347700000000 ] - [ 0.0001172200000000, -0.0001270200000000, 0.0017347700000000 ]