# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b78b6290-8958-41a4-9343-b1076bdb5c90/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 NaSr3NdTi5O15 / I-42m (121) / materials id 703275](https://mdr.nims.go.jp/datasets/dc59a419-aad0-4463-bf43-23f660bd0fbf) ## 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: "I-42m" number: 121 Hall_symbol: "I -4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.725124650000000, 2.725124650000000, 19.536690454999999 ] # a - [ 2.725124650000000, -2.725124650000000, 19.536690454999999 ] # b - [ 2.725124650000000, 2.725124650000000, -19.536690454999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.200617030000000, 0.200617030000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.799382970000000, 0.799382970000000, 0.000000000000000 ] mass: 22.989769 - symbol: Sr # 3 coordinates: [ 0.899304390000000, 0.899304390000000, 0.000000000000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 87.620000 - symbol: Sr # 5 coordinates: [ 0.399592650000000, 0.399592650000000, 0.000000000000000 ] mass: 87.620000 - symbol: Sr # 6 coordinates: [ 0.100695610000000, 0.100695610000000, 0.000000000000000 ] mass: 87.620000 - symbol: Sr # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 - symbol: Sr # 8 coordinates: [ 0.600407350000000, 0.600407350000000, 0.000000000000000 ] mass: 87.620000 - symbol: Nd # 9 coordinates: [ 0.700275830000000, 0.700275830000000, 0.000000000000000 ] mass: 144.242000 - symbol: Nd # 10 coordinates: [ 0.299724170000000, 0.299724170000000, 0.000000000000000 ] mass: 144.242000 - symbol: Ti # 11 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 12 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 13 coordinates: [ 0.449616720000000, 0.949616720000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 14 coordinates: [ 0.348682780000000, 0.848682780000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 15 coordinates: [ 0.050383280000000, 0.550383280000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 16 coordinates: [ 0.949616720000000, 0.449616720000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 17 coordinates: [ 0.848682780000000, 0.348682780000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 18 coordinates: [ 0.651317220000000, 0.151317220000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 19 coordinates: [ 0.550383280000000, 0.050383280000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 20 coordinates: [ 0.151317220000000, 0.651317220000000, 0.500000000000000 ] mass: 47.867000 - symbol: O # 21 coordinates: [ 0.200627460000000, 0.700627460000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.551129140000000, 0.551129140000000, 0.605301440000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.054172300000000, 0.448870860000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.799372540000000, 0.299372540000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.700627460000000, 0.200627460000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.144245760000000, 0.144245760000000, 0.593201380000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.448870860000000, 0.054172300000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.633861500000000, 0.064511960000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.945827700000000, 0.945827700000000, 0.394698560000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.399182560000000, 0.899182560000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.299372540000000, 0.799372540000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.728354470000000, 0.728354470000000, 0.557775020000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.064511960000000, 0.633861500000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.228562170000000, 0.671103870000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.551044380000000, 0.551044380000000, 0.406798620000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.899182560000000, 0.399182560000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.328896130000000, 0.328896130000000, 0.557458300000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.671103870000000, 0.228562170000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.829420550000000, 0.271645530000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.170579450000000, 0.170579450000000, 0.442224980000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.600817440000000, 0.100817440000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.935488040000000, 0.935488040000000, 0.569349540000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.271645530000000, 0.829420550000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.448955620000000, 0.855754240000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.771437830000000, 0.771437830000000, 0.442541700000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.100817440000000, 0.600817440000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.855754240000000, 0.448955620000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.366138500000000, 0.366138500000000, 0.430650460000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.183477845683132, 0.025592871072594 ] # a* - [ 0.183477845683132, 0.000000000000000, 0.025592871072594 ] # b* - [ 0.183477845683132, 0.183477845683132, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.450249300000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.450249300000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 39.073380909999997 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.200617030000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.299382970000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.700617030000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.799382970000000 ] mass: 22.989769 reduced_to: 2 - symbol: Sr # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.399304390000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.399592650000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.600695610000000 ] mass: 87.620000 reduced_to: 8 - symbol: Sr # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.600407350000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899304390000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.899592650000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.100695610000000 ] mass: 87.620000 reduced_to: 8 - symbol: Sr # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.100407350000000 ] mass: 87.620000 reduced_to: 10 - symbol: Nd # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.200275830000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.299724170000000 ] mass: 144.242000 reduced_to: 18 - symbol: Nd # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.700275830000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.799724170000000 ] mass: 144.242000 reduced_to: 18 - symbol: Ti # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 22 - symbol: Ti # 23 coordinates: [ 0.500000000000000, 0.000000000000000, 0.449616720000000 ] mass: 47.867000 reduced_to: 23 - symbol: Ti # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.348682780000000 ] mass: 47.867000 reduced_to: 24 - symbol: Ti # 25 coordinates: [ 0.000000000000000, 0.500000000000000, 0.550383280000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 26 coordinates: [ 0.000000000000000, 0.500000000000000, 0.449616720000000 ] mass: 47.867000 reduced_to: 26 - symbol: Ti # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.348682780000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 28 coordinates: [ 0.000000000000000, 0.500000000000000, 0.151317220000000 ] mass: 47.867000 reduced_to: 28 - symbol: Ti # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.550383280000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.151317220000000 ] mass: 47.867000 reduced_to: 30 - symbol: Ti # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 32 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 22 - symbol: Ti # 33 coordinates: [ 0.000000000000000, 0.500000000000000, 0.949616720000000 ] mass: 47.867000 reduced_to: 23 - symbol: Ti # 34 coordinates: [ 0.000000000000000, 0.500000000000000, 0.848682780000000 ] mass: 47.867000 reduced_to: 24 - symbol: Ti # 35 coordinates: [ 0.500000000000000, 0.000000000000000, 0.050383280000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 36 coordinates: [ 0.500000000000000, 0.000000000000000, 0.949616720000000 ] mass: 47.867000 reduced_to: 26 - symbol: Ti # 37 coordinates: [ 0.500000000000000, 0.000000000000000, 0.848682780000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.651317220000000 ] mass: 47.867000 reduced_to: 28 - symbol: Ti # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.050383280000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 40 coordinates: [ 0.000000000000000, 0.500000000000000, 0.651317220000000 ] mass: 47.867000 reduced_to: 30 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.000000000000000, 0.200627460000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.302650720000000, 0.302650720000000, 0.248478420000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.197349280000000, 0.802650720000000, 0.251521580000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.500000000000000, 0.299372540000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.500000000000000, 0.200627460000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.796600690000000, 0.796600690000000, 0.347645070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.802650720000000, 0.197349280000000, 0.251521580000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.715325230000000, 0.284674770000000, 0.349186730000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.697349280000000, 0.697349280000000, 0.248478420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.000000000000000, 0.399182560000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.000000000000000, 0.299372540000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.278887510000000, 0.278887510000000, 0.449466960000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.284674770000000, 0.715325230000000, 0.349186730000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.221270850000000, 0.778729150000000, 0.449833020000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.203399310000000, 0.203399310000000, 0.347645070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.399182560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.778729150000000, 0.778729150000000, 0.550166980000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.778729150000000, 0.221270850000000, 0.449833020000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.721112490000000, 0.278887510000000, 0.550533040000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.721112490000000, 0.721112490000000, 0.449466960000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.600817440000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.784674770000000, 0.784674770000000, 0.150813270000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.278887510000000, 0.721112490000000, 0.550533040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.703399310000000, 0.296600690000000, 0.152354930000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.221270850000000, 0.221270850000000, 0.550166980000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.500000000000000, 0.600817440000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.296600690000000, 0.703399310000000, 0.152354930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.215325230000000, 0.215325230000000, 0.150813270000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.700627460000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 72 coordinates: [ 0.802650720000000, 0.802650720000000, 0.748478420000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 73 coordinates: [ 0.697349280000000, 0.302650720000000, 0.751521580000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.799372540000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 75 coordinates: [ 0.500000000000000, 0.000000000000000, 0.700627460000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 76 coordinates: [ 0.296600690000000, 0.296600690000000, 0.847645070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 77 coordinates: [ 0.302650720000000, 0.697349280000000, 0.751521580000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 78 coordinates: [ 0.215325230000000, 0.784674770000000, 0.849186730000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 79 coordinates: [ 0.197349280000000, 0.197349280000000, 0.748478420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.899182560000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 81 coordinates: [ 0.000000000000000, 0.500000000000000, 0.799372540000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 82 coordinates: [ 0.778887510000000, 0.778887510000000, 0.949466960000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 83 coordinates: [ 0.784674770000000, 0.215325230000000, 0.849186730000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.721270850000000, 0.278729150000000, 0.949833020000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 85 coordinates: [ 0.703399310000000, 0.703399310000000, 0.847645070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 87 coordinates: [ 0.500000000000000, 0.000000000000000, 0.899182560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.278729150000000, 0.278729150000000, 0.050166980000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 89 coordinates: [ 0.278729150000000, 0.721270850000000, 0.949833020000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 90 coordinates: [ 0.221112490000000, 0.778887510000000, 0.050533040000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 91 coordinates: [ 0.221112490000000, 0.221112490000000, 0.949466960000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.000000000000000, 0.500000000000000, 0.100817440000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 94 coordinates: [ 0.284674770000000, 0.284674770000000, 0.650813270000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 95 coordinates: [ 0.778887510000000, 0.221112490000000, 0.050533040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 96 coordinates: [ 0.203399310000000, 0.796600690000000, 0.652354930000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 97 coordinates: [ 0.721270850000000, 0.721270850000000, 0.050166980000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.100817440000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 99 coordinates: [ 0.796600690000000, 0.203399310000000, 0.652354930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 100 coordinates: [ 0.715325230000000, 0.715325230000000, 0.650813270000000 ] mass: 15.999400 reduced_to: 70supercell: lattice: - [ 5.450249300000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.450249300000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 39.073380909999997 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.200617030000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.299382970000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.700617030000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.799382970000000 ] mass: 22.989769 reduced_to: 2 - symbol: Sr # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.399304390000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.399592650000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.600695610000000 ] mass: 87.620000 reduced_to: 8 - symbol: Sr # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.600407350000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899304390000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.899592650000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.100695610000000 ] mass: 87.620000 reduced_to: 8 - symbol: Sr # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.100407350000000 ] mass: 87.620000 reduced_to: 10 - symbol: Nd # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.200275830000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.299724170000000 ] mass: 144.242000 reduced_to: 18 - symbol: Nd # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.700275830000000 ] mass: 144.242000 reduced_to: 17 - symbol: Nd # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.799724170000000 ] mass: 144.242000 reduced_to: 18 - symbol: Ti # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 22 - symbol: Ti # 23 coordinates: [ 0.500000000000000, 0.000000000000000, 0.449616720000000 ] mass: 47.867000 reduced_to: 23 - symbol: Ti # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.348682780000000 ] mass: 47.867000 reduced_to: 24 - symbol: Ti # 25 coordinates: [ 0.000000000000000, 0.500000000000000, 0.550383280000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 26 coordinates: [ 0.000000000000000, 0.500000000000000, 0.449616720000000 ] mass: 47.867000 reduced_to: 26 - symbol: Ti # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.348682780000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 28 coordinates: [ 0.000000000000000, 0.500000000000000, 0.151317220000000 ] mass: 47.867000 reduced_to: 28 - symbol: Ti # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.550383280000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.151317220000000 ] mass: 47.867000 reduced_to: 30 - symbol: Ti # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 21 - symbol: Ti # 32 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 22 - symbol: Ti # 33 coordinates: [ 0.000000000000000, 0.500000000000000, 0.949616720000000 ] mass: 47.867000 reduced_to: 23 - symbol: Ti # 34 coordinates: [ 0.000000000000000, 0.500000000000000, 0.848682780000000 ] mass: 47.867000 reduced_to: 24 - symbol: Ti # 35 coordinates: [ 0.500000000000000, 0.000000000000000, 0.050383280000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 36 coordinates: [ 0.500000000000000, 0.000000000000000, 0.949616720000000 ] mass: 47.867000 reduced_to: 26 - symbol: Ti # 37 coordinates: [ 0.500000000000000, 0.000000000000000, 0.848682780000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.651317220000000 ] mass: 47.867000 reduced_to: 28 - symbol: Ti # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.050383280000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 40 coordinates: [ 0.000000000000000, 0.500000000000000, 0.651317220000000 ] mass: 47.867000 reduced_to: 30 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.000000000000000, 0.200627460000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.302650720000000, 0.302650720000000, 0.248478420000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.197349280000000, 0.802650720000000, 0.251521580000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.500000000000000, 0.299372540000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.500000000000000, 0.200627460000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.796600690000000, 0.796600690000000, 0.347645070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.802650720000000, 0.197349280000000, 0.251521580000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.715325230000000, 0.284674770000000, 0.349186730000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.697349280000000, 0.697349280000000, 0.248478420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.000000000000000, 0.399182560000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.000000000000000, 0.299372540000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.278887510000000, 0.278887510000000, 0.449466960000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.284674770000000, 0.715325230000000, 0.349186730000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.221270850000000, 0.778729150000000, 0.449833020000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.203399310000000, 0.203399310000000, 0.347645070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.399182560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.778729150000000, 0.778729150000000, 0.550166980000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.778729150000000, 0.221270850000000, 0.449833020000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.721112490000000, 0.278887510000000, 0.550533040000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.721112490000000, 0.721112490000000, 0.449466960000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.600817440000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.784674770000000, 0.784674770000000, 0.150813270000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.278887510000000, 0.721112490000000, 0.550533040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.703399310000000, 0.296600690000000, 0.152354930000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.221270850000000, 0.221270850000000, 0.550166980000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.500000000000000, 0.600817440000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.296600690000000, 0.703399310000000, 0.152354930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.215325230000000, 0.215325230000000, 0.150813270000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.700627460000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 72 coordinates: [ 0.802650720000000, 0.802650720000000, 0.748478420000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 73 coordinates: [ 0.697349280000000, 0.302650720000000, 0.751521580000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.799372540000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 75 coordinates: [ 0.500000000000000, 0.000000000000000, 0.700627460000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 76 coordinates: [ 0.296600690000000, 0.296600690000000, 0.847645070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 77 coordinates: [ 0.302650720000000, 0.697349280000000, 0.751521580000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 78 coordinates: [ 0.215325230000000, 0.784674770000000, 0.849186730000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 79 coordinates: [ 0.197349280000000, 0.197349280000000, 0.748478420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.899182560000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 81 coordinates: [ 0.000000000000000, 0.500000000000000, 0.799372540000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 82 coordinates: [ 0.778887510000000, 0.778887510000000, 0.949466960000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 83 coordinates: [ 0.784674770000000, 0.215325230000000, 0.849186730000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.721270850000000, 0.278729150000000, 0.949833020000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 85 coordinates: [ 0.703399310000000, 0.703399310000000, 0.847645070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 87 coordinates: [ 0.500000000000000, 0.000000000000000, 0.899182560000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.278729150000000, 0.278729150000000, 0.050166980000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 89 coordinates: [ 0.278729150000000, 0.721270850000000, 0.949833020000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 90 coordinates: [ 0.221112490000000, 0.778887510000000, 0.050533040000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 91 coordinates: [ 0.221112490000000, 0.221112490000000, 0.949466960000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.000000000000000, 0.500000000000000, 0.100817440000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 94 coordinates: [ 0.284674770000000, 0.284674770000000, 0.650813270000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 95 coordinates: [ 0.778887510000000, 0.221112490000000, 0.050533040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 96 coordinates: [ 0.203399310000000, 0.796600690000000, 0.652354930000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 97 coordinates: [ 0.721270850000000, 0.721270850000000, 0.050166980000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.100817440000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 99 coordinates: [ 0.796600690000000, 0.203399310000000, 0.652354930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 100 coordinates: [ 0.715325230000000, 0.715325230000000, 0.650813270000000 ] mass: 15.999400 reduced_to: 70displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0182529000000000, 0.0010957600000000, -0.0000621300000000 ] - [ 0.0002147500000000, -0.0000002600000000, 0.0000665400000000 ] - [ 0.0000002300000000, -0.0000002500000000, -0.0000674100000000 ] - [ 0.0000008400000000, 0.0000001100000000, 0.0000670900000000 ] - [ -0.0000032800000000, 0.0000022700000000, -0.0001265200000000 ] - [ 0.0000004200000000, -0.0000003400000000, -0.0000006200000000 ] - [ 0.0000029200000000, -0.0000003500000000, 0.0001580900000000 ] - [ -0.0000004200000000, -0.0000002700000000, 0.0001258500000000 ] - [ -0.0000003400000000, 0.0000002500000000, -0.0000007900000000 ] - [ 0.0000003100000000, -0.0000002400000000, -0.0001588700000000 ] - [ 0.0000001900000000, 0.0000001300000000, -0.0001260500000000 ] - [ -0.0000017500000000, 0.0000008800000000, 0.0000007000000000 ] - [ 0.0000000000000000, 0.0000004500000000, 0.0001573600000000 ] - [ -0.0006568400000000, -0.0001134900000000, 0.0001302200000000 ] - [ 0.0000025700000000, -0.0000005800000000, 0.0000004500000000 ] - [ 0.0004911500000000, 0.0000011700000000, -0.0001575600000000 ] - [ 0.0083092500000000, 0.0000434400000000, 0.0003480600000000 ] - [ -0.0010657300000000, 0.0003498000000000, -0.0003558200000000 ] - [ 0.0000002200000000, -0.0000008400000000, 0.0003471500000000 ] - [ -0.0000005300000000, 0.0000001400000000, -0.0003475900000000 ] - [ 0.0127813700000000, -0.0008890700000000, 0.0001056700000000 ] - [ -0.0063984300000000, -0.0014842100000000, -0.0000355200000000 ] - [ 0.0000004400000000, -0.0000001700000000, -0.0001254000000000 ] - [ -0.0000509200000000, -0.0000273400000000, -0.0001121900000000 ] - [ 0.0000013200000000, 0.0000014800000000, 0.0001237700000000 ] - [ 0.0000007700000000, -0.0000010800000000, -0.0001257700000000 ] - [ 0.0000445000000000, -0.0000001200000000, -0.0001082000000000 ] - [ -0.0067913900000000, 0.0015155100000000, 0.0001463400000000 ] - [ -0.0000007000000000, -0.0000019000000000, 0.0001238800000000 ] - [ 0.0132561300000000, 0.0004620700000000, 0.0000075800000000 ] - [ 0.0000033000000000, 0.0000031500000000, -0.0000006400000000 ] - [ -0.0000016000000000, -0.0000040500000000, -0.0000022800000000 ] - [ 0.0000019500000000, 0.0000001800000000, -0.0001225100000000 ] - [ 0.0000015100000000, -0.0000003600000000, -0.0001107100000000 ] - [ -0.0000546500000000, 0.0000145100000000, 0.0001256900000000 ] - [ -0.0000011500000000, 0.0000007100000000, -0.0001252700000000 ] - [ -0.0000009500000000, 0.0000005600000000, -0.0001084900000000 ] - [ -0.0000014000000000, -0.0000014000000000, 0.0001099300000000 ] - [ 0.0000530700000000, 0.0000061600000000, 0.0001231800000000 ] - [ 0.0000012600000000, 0.0000017800000000, 0.0001087600000000 ] - [ -0.0077410400000000, -0.0002584200000000, -0.0000855400000000 ] - [ -0.0005753000000000, -0.0010876300000000, -0.0014590400000000 ] - [ 0.0015347200000000, 0.0003577900000000, 0.0000537600000000 ] - [ 0.0006568200000000, 0.0003340500000000, 0.0001128100000000 ] - [ 0.0033435300000000, 0.0001149100000000, -0.0001236300000000 ] - [ -0.0000609200000000, -0.0000382500000000, -0.0001417900000000 ] - [ 0.0015103300000000, 0.0003151300000000, 0.0001091300000000 ] - [ 0.0000796200000000, -0.0000704300000000, -0.0001112100000000 ] - [ -0.0006607900000000, -0.0010980300000000, 0.0013269200000000 ] - [ 0.0000035900000000, 0.0000039900000000, 0.0000592700000000 ] - [ -0.0004899200000000, 0.0000244200000000, 0.0001039700000000 ] - [ 0.0000634000000000, 0.0000602900000000, 0.0000352500000000 ] - [ -0.0000329500000000, 0.0000629100000000, -0.0000347900000000 ] - [ -0.0001168100000000, 0.0001210900000000, -0.0001295000000000 ] - [ 0.0000648900000000, 0.0000652600000000, -0.0000833600000000 ] - [ 0.0000005900000000, 0.0000004400000000, -0.0000011100000000 ] - [ -0.0000003700000000, 0.0000049200000000, 0.0000660600000000 ] - [ 0.0001159300000000, 0.0001226400000000, 0.0001288900000000 ] - [ 0.0001185100000000, -0.0001204200000000, -0.0001288800000000 ] - [ -0.0000656200000000, 0.0000582300000000, -0.0000355200000000 ] - [ -0.0000632800000000, -0.0000602400000000, 0.0000354600000000 ] - [ 0.0000001500000000, -0.0000001100000000, -0.0000627400000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0000027100000000 ] - [ 0.0008230400000000, -0.0008582200000000, -0.0003979600000000 ] - [ 0.0000656900000000, -0.0000575100000000, -0.0000354100000000 ] - [ -0.0006816500000000, 0.0009862100000000, -0.0013169600000000 ] - [ -0.0001145600000000, -0.0001234400000000, 0.0001289600000000 ] - [ 0.0000006500000000, 0.0000002800000000, -0.0000639100000000 ] - [ -0.0007958200000000, 0.0010853900000000, 0.0015537900000000 ] - [ 0.0009714000000000, -0.0006954600000000, 0.0005066400000000 ] - [ 0.0000003900000000, 0.0000001000000000, -0.0001035400000000 ] - [ 0.0000239400000000, 0.0000179900000000, -0.0000579400000000 ] - [ -0.0000192200000000, 0.0000250200000000, 0.0000593400000000 ] - [ 0.0000004700000000, -0.0000002500000000, 0.0001087900000000 ] - [ 0.0000000900000000, -0.0000001800000000, -0.0001144100000000 ] - [ -0.0000610900000000, -0.0000540900000000, -0.0001126600000000 ] - [ 0.0000178500000000, -0.0000220900000000, 0.0000583900000000 ] - [ 0.0000575800000000, -0.0000653800000000, -0.0000735200000000 ] - [ -0.0000237900000000, -0.0000187500000000, -0.0000587000000000 ] - [ 0.0000006900000000, -0.0000003900000000, 0.0000535100000000 ] - [ 0.0000005000000000, 0.0000001000000000, 0.0001097800000000 ] - [ 0.0000499100000000, 0.0000738200000000, 0.0000352400000000 ] - [ -0.0000566100000000, 0.0000654200000000, -0.0000737100000000 ] - [ -0.0001310900000000, 0.0001068200000000, -0.0001292400000000 ] - [ 0.0000618400000000, 0.0000532000000000, -0.0001127100000000 ] - [ 0.0000026400000000, -0.0000033600000000, -0.0000093000000000 ] - [ 0.0000002400000000, -0.0000001700000000, 0.0000750200000000 ] - [ 0.0001225800000000, 0.0001148900000000, 0.0000933800000000 ] - [ 0.0001307800000000, -0.0001070100000000, -0.0001291100000000 ] - [ -0.0000689900000000, 0.0000561900000000, -0.0000594100000000 ] - [ -0.0000482500000000, -0.0000737900000000, 0.0000355600000000 ] - [ 0.0006134900000000, -0.0002311900000000, -0.0000614500000000 ] - [ 0.0000006400000000, -0.0000029500000000, 0.0000098200000000 ] - [ -0.0000570700000000, -0.0000653100000000, 0.0000731500000000 ] - [ 0.0000605400000000, -0.0000594800000000, -0.0000115500000000 ] - [ 0.0000625400000000, -0.0000544500000000, 0.0001119000000000 ] - [ -0.0001074100000000, -0.0001300200000000, 0.0001645200000000 ] - [ -0.0004705200000000, 0.0000328600000000, -0.0000745700000000 ] - [ -0.0000599700000000, 0.0000529100000000, 0.0001123000000000 ] - [ 0.0000576900000000, 0.0000654300000000, 0.0000728400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0248443700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005206400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002037600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003356500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005850000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008745700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007985200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005147900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005499400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008489600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037416500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007051000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0129437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014433700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007520600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016105200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019923000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016105200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019923000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018375900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018375900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017432400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018579900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017432400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018579900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145066000000000 ] - [ -0.0019499600000000, -0.0019499600000000, 0.0020361600000000 ] - [ -0.0004392100000000, 0.0004392100000000, 0.0032611700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004387300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145066000000000 ] - [ 0.0000947600000000, 0.0000947600000000, -0.0007550800000000 ] - [ 0.0004392100000000, -0.0004392100000000, 0.0032611700000000 ] - [ 0.0001226900000000, -0.0001226900000000, -0.0006195700000000 ] - [ 0.0019499600000000, 0.0019499600000000, 0.0020361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013544800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004387300000000 ] - [ 0.0000624700000000, 0.0000624700000000, -0.0005048900000000 ] - [ -0.0001226900000000, 0.0001226900000000, -0.0006195700000000 ] - [ -0.0001177100000000, 0.0001177100000000, -0.0006678600000000 ] - [ -0.0000947600000000, -0.0000947600000000, -0.0007550800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014709900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013544800000000 ] - [ 0.0001180700000000, 0.0001180700000000, -0.0004066800000000 ] - [ 0.0001177100000000, -0.0001177100000000, -0.0006678600000000 ] - [ -0.0000598100000000, 0.0000598100000000, -0.0005735300000000 ] - [ -0.0000624700000000, -0.0000624700000000, -0.0005048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015246000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014709900000000 ] - [ -0.0012324000000000, -0.0012324000000000, 0.0023558200000000 ] - [ 0.0000598100000000, -0.0000598100000000, -0.0005735300000000 ] - [ -0.0018578700000000, 0.0018578700000000, 0.0018058600000000 ] - [ -0.0001180700000000, -0.0001180700000000, -0.0004066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015246000000000 ] - [ 0.0018578700000000, -0.0018578700000000, 0.0018058600000000 ] - [ 0.0012324000000000, 0.0012324000000000, 0.0023558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015754600000000 ] - [ 0.0001091200000000, 0.0001091200000000, -0.0005859300000000 ] - [ 0.0000670200000000, -0.0000670200000000, -0.0004775600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013602700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015754600000000 ] - [ -0.0000096100000000, -0.0000096100000000, -0.0006770300000000 ] - [ -0.0000670200000000, 0.0000670200000000, -0.0004775600000000 ] - [ 0.0001019400000000, -0.0001019400000000, -0.0005796800000000 ] - [ -0.0001091200000000, -0.0001091200000000, -0.0005859300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014021300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013602700000000 ] - [ 0.0000607400000000, 0.0000607400000000, -0.0005054600000000 ] - [ -0.0001019400000000, 0.0001019400000000, -0.0005796800000000 ] - [ -0.0001165100000000, 0.0001165100000000, -0.0006665400000000 ] - [ 0.0000096100000000, 0.0000096100000000, -0.0006770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014249100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014021300000000 ] - [ 0.0001033600000000, 0.0001033600000000, -0.0004820500000000 ] - [ 0.0001165100000000, -0.0001165100000000, -0.0006665400000000 ] - [ -0.0000168600000000, 0.0000168600000000, -0.0006145200000000 ] - [ -0.0000607400000000, -0.0000607400000000, -0.0005054600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006177800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014249100000000 ] - [ -0.0000198400000000, -0.0000198400000000, -0.0004270800000000 ] - [ 0.0000168600000000, -0.0000168600000000, -0.0006145200000000 ] - [ 0.0001070900000000, -0.0001070900000000, -0.0004520200000000 ] - [ -0.0001033600000000, -0.0001033600000000, -0.0004820500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006177800000000 ] - [ -0.0001070900000000, 0.0001070900000000, -0.0004520200000000 ] - [ 0.0000198400000000, 0.0000198400000000, -0.0004270800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0246376900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003865800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003385400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008367700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005456100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005478300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006748200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008466000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008014600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005186500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013840400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0136393900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054569300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014458900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018183900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017450800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018183900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017450800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018445100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018445100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019885600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019885600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017445000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017445000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0147193800000000 ] - [ 0.0019859000000000, 0.0019859000000000, -0.0021312900000000 ] - [ 0.0004912000000000, -0.0004912000000000, -0.0029503600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006565500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0147193800000000 ] - [ -0.0002099200000000, -0.0002099200000000, 0.0005288700000000 ] - [ -0.0004912000000000, 0.0004912000000000, -0.0029503600000000 ] - [ -0.0000011900000000, 0.0000011900000000, 0.0004672700000000 ] - [ -0.0019859000000000, -0.0019859000000000, -0.0021312900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014749500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006565500000000 ] - [ 0.0000586600000000, 0.0000586600000000, 0.0005769000000000 ] - [ 0.0000011900000000, -0.0000011900000000, 0.0004672700000000 ] - [ -0.0001184800000000, 0.0001184800000000, 0.0004102900000000 ] - [ 0.0002099200000000, 0.0002099200000000, 0.0005288700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014699000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014749500000000 ] - [ 0.0001179000000000, 0.0001179000000000, 0.0006623300000000 ] - [ 0.0001184800000000, -0.0001184800000000, 0.0004102900000000 ] - [ -0.0000609200000000, 0.0000609200000000, 0.0005004100000000 ] - [ -0.0000586600000000, -0.0000586600000000, 0.0005769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014699000000000 ] - [ 0.0010399400000000, 0.0010399400000000, -0.0023465800000000 ] - [ 0.0000609200000000, -0.0000609200000000, 0.0005004100000000 ] - [ 0.0019824700000000, -0.0019824700000000, -0.0015988100000000 ] - [ -0.0001179000000000, -0.0001179000000000, 0.0006623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014059100000000 ] - [ -0.0019824700000000, 0.0019824700000000, -0.0015988100000000 ] - [ -0.0010399400000000, -0.0010399400000000, -0.0023465800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013608400000000 ] - [ -0.0000666900000000, -0.0000666900000000, 0.0004769000000000 ] - [ -0.0001103600000000, 0.0001103600000000, 0.0005853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013608400000000 ] - [ -0.0001063500000000, -0.0001063500000000, 0.0004520600000000 ] - [ 0.0001103600000000, -0.0001103600000000, 0.0005853700000000 ] - [ 0.0000197900000000, -0.0000197900000000, 0.0004264500000000 ] - [ 0.0000666900000000, 0.0000666900000000, 0.0004769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015206400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015741000000000 ] - [ 0.0000606600000000, 0.0000606600000000, 0.0005780800000000 ] - [ -0.0000197900000000, 0.0000197900000000, 0.0004264500000000 ] - [ -0.0001196200000000, 0.0001196200000000, 0.0004095200000000 ] - [ 0.0001063500000000, 0.0001063500000000, 0.0004520600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014255300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015206400000000 ] - [ 0.0001332000000000, 0.0001332000000000, 0.0007372800000000 ] - [ 0.0001196200000000, -0.0001196200000000, 0.0004095200000000 ] - [ -0.0001056500000000, 0.0001056500000000, 0.0005417600000000 ] - [ -0.0000606600000000, -0.0000606600000000, 0.0005780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004887600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014255300000000 ] - [ -0.0001023100000000, -0.0001023100000000, 0.0005796700000000 ] - [ 0.0001056500000000, -0.0001056500000000, 0.0005417600000000 ] - [ 0.0000094700000000, -0.0000094700000000, 0.0006767800000000 ] - [ -0.0001332000000000, -0.0001332000000000, 0.0007372800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004887600000000 ] - [ -0.0000094700000000, 0.0000094700000000, 0.0006767800000000 ] - [ 0.0001023100000000, 0.0001023100000000, 0.0005796700000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000035700000000, 0.0000017500000000, -0.0000665700000000 ] - [ -0.0006574800000000, 0.0001128500000000, 0.0000722700000000 ] - [ -0.0000001700000000, -0.0000002800000000, -0.0000670600000000 ] - [ -0.0000000600000000, 0.0000001400000000, 0.0000671500000000 ] - [ -0.0586546800000000, 0.0001045200000000, -0.0001380100000000 ] - [ 0.0011323200000000, -0.0000134100000000, -0.0000023800000000 ] - [ 0.0145826400000000, -0.0000516600000000, 0.0001599400000000 ] - [ 0.0000036100000000, -0.0000004000000000, 0.0001258400000000 ] - [ -0.0015191600000000, -0.0002600400000000, -0.0000136600000000 ] - [ -0.0000041400000000, -0.0000020400000000, -0.0001592300000000 ] - [ -0.0000000400000000, 0.0000002500000000, -0.0001262800000000 ] - [ 0.0000002000000000, 0.0000012400000000, 0.0000009200000000 ] - [ -0.0000001400000000, 0.0000004200000000, 0.0001576900000000 ] - [ 0.0000005100000000, -0.0000002200000000, 0.0001240800000000 ] - [ 0.0000000200000000, -0.0000005900000000, 0.0000004200000000 ] - [ -0.0000000700000000, -0.0000000300000000, -0.0001583500000000 ] - [ 0.0000104200000000, 0.0000001600000000, 0.0003489900000000 ] - [ 0.0017939500000000, 0.0000688300000000, -0.0003444000000000 ] - [ -0.0000001500000000, -0.0000008000000000, 0.0003477200000000 ] - [ -0.0000000600000000, 0.0000003300000000, -0.0003475800000000 ] - [ 0.0001230700000000, 0.0000118100000000, 0.0000027300000000 ] - [ -0.0001138300000000, -0.0000688500000000, -0.0000053200000000 ] - [ -0.0154876700000000, 0.0029686800000000, -0.0002008300000000 ] - [ -0.0144406400000000, -0.0047034300000000, -0.0000337400000000 ] - [ -0.0001188400000000, 0.0000246700000000, 0.0001232400000000 ] - [ 0.0309531200000000, 0.0010596400000000, 0.0001318700000000 ] - [ 0.0305163800000000, -0.0005701700000000, -0.0003615500000000 ] - [ 0.0000030500000000, 0.0000010100000000, 0.0001141800000000 ] - [ 0.0001103900000000, 0.0000071000000000, 0.0001256700000000 ] - [ -0.0000022800000000, -0.0000037900000000, 0.0001079500000000 ] - [ 0.0000023800000000, 0.0000024200000000, -0.0000001400000000 ] - [ -0.0000017300000000, -0.0000031700000000, -0.0000010600000000 ] - [ 0.0000014600000000, 0.0000001100000000, -0.0001230100000000 ] - [ 0.0000010400000000, 0.0000006800000000, -0.0001107400000000 ] - [ -0.0000018400000000, -0.0000028200000000, 0.0001261300000000 ] - [ -0.0000016600000000, -0.0000003600000000, -0.0001262100000000 ] - [ -0.0000012600000000, -0.0000005000000000, -0.0001095400000000 ] - [ -0.0000019600000000, -0.0000007800000000, 0.0001100000000000 ] - [ 0.0000007500000000, 0.0000030200000000, 0.0001233600000000 ] - [ 0.0000016500000000, 0.0000031300000000, 0.0001088400000000 ] - [ -0.0000020700000000, 0.0000039300000000, -0.0000887400000000 ] - [ 0.0000005600000000, 0.0000035600000000, -0.0000212400000000 ] - [ -0.0000079700000000, 0.0000910600000000, 0.0002067000000000 ] - [ -0.0011177500000000, -0.0000385900000000, 0.0001168900000000 ] - [ 0.0000071300000000, 0.0000099500000000, -0.0001188400000000 ] - [ -0.0015094600000000, -0.0020016200000000, 0.0032331500000000 ] - [ 0.0000179900000000, 0.0000333900000000, -0.0000915000000000 ] - [ 0.0039576300000000, 0.0000426300000000, -0.0024774500000000 ] - [ -0.0000561300000000, -0.0000235900000000, -0.0000960300000000 ] - [ 0.0065149200000000, 0.0004723600000000, 0.0000647200000000 ] - [ 0.0013691300000000, 0.0005733900000000, 0.0001049100000000 ] - [ 0.0038629300000000, -0.0000724900000000, -0.0014322600000000 ] - [ 0.0036845300000000, 0.0002312200000000, 0.0021881900000000 ] - [ -0.0004770200000000, 0.0021410100000000, 0.0027402700000000 ] - [ -0.0014478400000000, -0.0018668900000000, -0.0034394200000000 ] - [ -0.0010879000000000, -0.0000292200000000, -0.0000055200000000 ] - [ -0.0070814500000000, 0.0003706600000000, 0.0000663000000000 ] - [ 0.0001276800000000, 0.0001114500000000, 0.0002083600000000 ] - [ -0.0001576200000000, 0.0019228600000000, -0.0030003800000000 ] - [ -0.0000747700000000, 0.0000553600000000, 0.0000222200000000 ] - [ 0.0038908000000000, -0.0001344800000000, 0.0016367400000000 ] - [ 0.0000007300000000, -0.0000058900000000, -0.0000669600000000 ] - [ 0.0013955400000000, -0.0003829700000000, 0.0000013100000000 ] - [ -0.0000461800000000, -0.0000753700000000, 0.0000737500000000 ] - [ 0.0000587300000000, -0.0000579400000000, -0.0000930800000000 ] - [ 0.0000700700000000, -0.0000407800000000, 0.0001140000000000 ] - [ -0.0000995500000000, -0.0001368500000000, 0.0000518500000000 ] - [ 0.0000053500000000, -0.0000039100000000, -0.0000621200000000 ] - [ -0.0000707600000000, 0.0000442200000000, 0.0001111500000000 ] - [ 0.0000456400000000, 0.0000747400000000, 0.0000734000000000 ] - [ 0.0000000900000000, -0.0000002600000000, -0.0001050600000000 ] - [ 0.0000265100000000, 0.0000163200000000, -0.0000581300000000 ] - [ -0.0000173200000000, 0.0000274200000000, 0.0000593800000000 ] - [ 0.0000000900000000, -0.0000002700000000, 0.0001121400000000 ] - [ -0.0000001100000000, -0.0000005400000000, -0.0001127000000000 ] - [ -0.0000604900000000, -0.0000543500000000, -0.0001123800000000 ] - [ 0.0000158700000000, -0.0000250600000000, 0.0000585100000000 ] - [ 0.0000579400000000, -0.0000648100000000, -0.0000734100000000 ] - [ -0.0000266900000000, -0.0000167500000000, -0.0000588100000000 ] - [ 0.0000000400000000, -0.0000001400000000, 0.0000577300000000 ] - [ -0.0000000400000000, 0.0000001100000000, 0.0001088900000000 ] - [ 0.0000548800000000, 0.0000684700000000, 0.0000356100000000 ] - [ -0.0000576400000000, 0.0000645600000000, -0.0000736400000000 ] - [ -0.0001259800000000, 0.0001125500000000, -0.0001290100000000 ] - [ 0.0000608500000000, 0.0000541300000000, -0.0001123600000000 ] - [ -0.0000001900000000, -0.0000000900000000, -0.0000077200000000 ] - [ -0.0000001300000000, 0.0000000200000000, 0.0000708000000000 ] - [ 0.0001112700000000, 0.0001267900000000, 0.0001292200000000 ] - [ 0.0001250500000000, -0.0001123500000000, -0.0001290400000000 ] - [ -0.0000682300000000, 0.0000533800000000, -0.0000352800000000 ] - [ -0.0000546100000000, -0.0000679800000000, 0.0000356000000000 ] - [ 0.0000003400000000, 0.0000006900000000, -0.0000641200000000 ] - [ 0.0000001400000000, 0.0000003000000000, 0.0000096100000000 ] - [ -0.0000620200000000, -0.0000609200000000, 0.0000736000000000 ] - [ 0.0000693000000000, -0.0000544100000000, -0.0000352500000000 ] - [ 0.0000573100000000, -0.0000587900000000, 0.0001123400000000 ] - [ -0.0001110500000000, -0.0001258900000000, 0.0001295000000000 ] - [ -0.0000000600000000, 0.0000002800000000, -0.0000746100000000 ] - [ -0.0000557900000000, 0.0000568000000000, 0.0001119300000000 ] - [ 0.0000623000000000, 0.0000601800000000, 0.0000729400000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036821700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006090600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0794532300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029578800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0188217900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083759800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016290800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016756900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018631500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018079500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016741300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015356700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032143300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096468300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095742600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096468300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095742600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047064600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047064600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045825100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045825100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045041900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047749800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045041900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047749800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036323300000000 ] - [ 0.0002197600000000, 0.0002197600000000, -0.0014264900000000 ] - [ 0.0003720500000000, -0.0003720500000000, -0.0015706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012069500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036323300000000 ] - [ 0.0032267000000000, 0.0032267000000000, 0.0011773600000000 ] - [ -0.0003720500000000, 0.0003720500000000, -0.0015706300000000 ] - [ -0.0020235000000000, 0.0020235000000000, 0.0120504400000000 ] - [ -0.0002197600000000, -0.0002197600000000, -0.0014264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012069500000000 ] - [ -0.0014456800000000, -0.0014456800000000, 0.0105204400000000 ] - [ 0.0020235000000000, -0.0020235000000000, 0.0120504400000000 ] - [ 0.0031854900000000, -0.0031854900000000, 0.0021475600000000 ] - [ -0.0032267000000000, -0.0032267000000000, 0.0011773600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015101000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337074400000000 ] - [ 0.0001555600000000, 0.0001555600000000, -0.0013663100000000 ] - [ -0.0031854900000000, 0.0031854900000000, 0.0021475600000000 ] - [ -0.0001493200000000, 0.0001493200000000, -0.0015107200000000 ] - [ 0.0014456800000000, 0.0014456800000000, 0.0105204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015101000000000 ] - [ 0.0000420500000000, 0.0000420500000000, -0.0011802000000000 ] - [ 0.0001493200000000, -0.0001493200000000, -0.0015107200000000 ] - [ 0.0001847900000000, -0.0001847900000000, -0.0013114400000000 ] - [ -0.0001555600000000, -0.0001555600000000, -0.0013663100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035854900000000 ] - [ -0.0001847900000000, 0.0001847900000000, -0.0013114400000000 ] - [ -0.0000420500000000, -0.0000420500000000, -0.0011802000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037526100000000 ] - [ 0.0002414900000000, 0.0002414900000000, -0.0013782800000000 ] - [ 0.0001987500000000, -0.0001987500000000, -0.0012688000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035459900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037526100000000 ] - [ 0.0000629500000000, 0.0000629500000000, -0.0015165200000000 ] - [ -0.0001987500000000, 0.0001987500000000, -0.0012688000000000 ] - [ 0.0001630200000000, -0.0001630200000000, -0.0013274800000000 ] - [ -0.0002414900000000, -0.0002414900000000, -0.0013782800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035884900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035459900000000 ] - [ 0.0000618100000000, 0.0000618100000000, -0.0012996100000000 ] - [ -0.0001630200000000, 0.0001630200000000, -0.0013274800000000 ] - [ -0.0001177800000000, 0.0001177800000000, -0.0014592400000000 ] - [ -0.0000629500000000, -0.0000629500000000, -0.0015165200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036673700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035884900000000 ] - [ 0.0001185700000000, 0.0001185700000000, -0.0012026500000000 ] - [ 0.0001177800000000, -0.0001177800000000, -0.0014592400000000 ] - [ -0.0000595600000000, 0.0000595600000000, -0.0013727500000000 ] - [ -0.0000618100000000, -0.0000618100000000, -0.0012996100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036673700000000 ] - [ 0.0000440900000000, 0.0000440900000000, -0.0011871200000000 ] - [ 0.0000595600000000, -0.0000595600000000, -0.0013727500000000 ] - [ 0.0001772900000000, -0.0001772900000000, -0.0013033900000000 ] - [ -0.0001185700000000, -0.0001185700000000, -0.0012026500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036996800000000 ] - [ -0.0001772900000000, 0.0001772900000000, -0.0013033900000000 ] - [ -0.0000440900000000, -0.0000440900000000, -0.0011871200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007787900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036059600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007430400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0791898200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0191578000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016416000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019604700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018032500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016761200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015306600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015583900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016752100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018678900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025219200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054304300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023960200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093499400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0094345100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093499400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0094345100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045005600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045005600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047772200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045336200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047772200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045336200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034189900000000 ] - [ -0.0001752600000000, -0.0001752600000000, 0.0013194100000000 ] - [ -0.0004150300000000, 0.0004150300000000, 0.0016789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014045400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034189900000000 ] - [ -0.0033581100000000, -0.0033581100000000, -0.0014390000000000 ] - [ 0.0004150300000000, -0.0004150300000000, 0.0016789400000000 ] - [ 0.0024365400000000, -0.0024365400000000, -0.0126797500000000 ] - [ 0.0001752600000000, 0.0001752600000000, 0.0013194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0335924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014045400000000 ] - [ 0.0013182000000000, 0.0013182000000000, -0.0100404200000000 ] - [ -0.0024365400000000, 0.0024365400000000, -0.0126797500000000 ] - [ -0.0034277000000000, 0.0034277000000000, -0.0023292300000000 ] - [ 0.0033581100000000, 0.0033581100000000, -0.0014390000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0335924800000000 ] - [ 0.0000792700000000, 0.0000792700000000, 0.0016242400000000 ] - [ 0.0034277000000000, -0.0034277000000000, -0.0023292300000000 ] - [ 0.0000261700000000, -0.0000261700000000, 0.0014361600000000 ] - [ -0.0013182000000000, -0.0013182000000000, -0.0100404200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034669600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015274200000000 ] - [ -0.0001636200000000, -0.0001636200000000, 0.0013321200000000 ] - [ -0.0000261700000000, 0.0000261700000000, 0.0014361600000000 ] - [ -0.0000689500000000, 0.0000689500000000, 0.0015353300000000 ] - [ -0.0000792700000000, -0.0000792700000000, 0.0016242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034669600000000 ] - [ 0.0000689500000000, -0.0000689500000000, 0.0015353300000000 ] - [ 0.0001636200000000, 0.0001636200000000, 0.0013321200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035388300000000 ] - [ -0.0001999600000000, -0.0001999600000000, 0.0012703900000000 ] - [ -0.0002411500000000, 0.0002411500000000, 0.0013775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037614700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035388300000000 ] - [ -0.0001793900000000, -0.0001793900000000, 0.0012930600000000 ] - [ 0.0002411500000000, -0.0002411500000000, 0.0013775500000000 ] - [ -0.0000415100000000, 0.0000415100000000, 0.0011757600000000 ] - [ 0.0001999600000000, 0.0001999600000000, 0.0012703900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037079400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037614700000000 ] - [ 0.0000593000000000, 0.0000593000000000, 0.0013723900000000 ] - [ 0.0000415100000000, -0.0000415100000000, 0.0011757600000000 ] - [ -0.0001182300000000, 0.0001182300000000, 0.0012024900000000 ] - [ 0.0001793900000000, 0.0001793900000000, 0.0012930600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036699000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037079400000000 ] - [ 0.0001180700000000, 0.0001180700000000, 0.0014596000000000 ] - [ 0.0001182300000000, -0.0001182300000000, 0.0012024900000000 ] - [ -0.0000619300000000, 0.0000619300000000, 0.0013003500000000 ] - [ -0.0000593000000000, -0.0000593000000000, 0.0013723900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036699000000000 ] - [ -0.0001657900000000, -0.0001657900000000, 0.0013396400000000 ] - [ 0.0000619300000000, -0.0000619300000000, 0.0013003500000000 ] - [ -0.0000597600000000, 0.0000597600000000, 0.0015272100000000 ] - [ -0.0001180700000000, -0.0001180700000000, 0.0014596000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035793800000000 ] - [ 0.0000597600000000, -0.0000597600000000, 0.0015272100000000 ] - [ 0.0001657900000000, 0.0001657900000000, 0.0013396400000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001100000000, -0.0000000800000000, -0.0000672700000000 ] - [ -0.0000020900000000, 0.0000003600000000, 0.0000671400000000 ] - [ -0.0000020900000000, -0.0000003600000000, -0.0000671400000000 ] - [ -0.0000001100000000, 0.0000000800000000, 0.0000672700000000 ] - [ 0.0011314100000000, -0.0000130000000000, -0.0001244100000000 ] - [ -0.0579789800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015323200000000, 0.0002672200000000, 0.0001727600000000 ] - [ 0.0011314100000000, 0.0000130000000000, 0.0001244100000000 ] - [ 0.0146554200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015323200000000, -0.0002672200000000, -0.0001727600000000 ] - [ -0.0000000900000000, 0.0000004000000000, -0.0001273000000000 ] - [ 0.0000011100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000001600000000, 0.0000000800000000, 0.0001593300000000 ] - [ -0.0000000900000000, -0.0000004000000000, 0.0001273000000000 ] - [ -0.0000004300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000001600000000, -0.0000000800000000, -0.0001593300000000 ] - [ -0.0000007100000000, 0.0000002500000000, 0.0003472800000000 ] - [ 0.0000073300000000, 0.0000012100000000, -0.0003477600000000 ] - [ 0.0000073300000000, -0.0000012100000000, 0.0003477600000000 ] - [ -0.0000007100000000, -0.0000002500000000, -0.0003472800000000 ] - [ -0.0000001300000000, 0.0000025000000000, 0.0000011100000000 ] - [ 0.0000016200000000, -0.0000041300000000, -0.0000018400000000 ] - [ 0.0310137900000000, -0.0009138200000000, -0.0003829300000000 ] - [ -0.0001144200000000, -0.0000356000000000, -0.0001116200000000 ] - [ -0.0155882200000000, 0.0030931600000000, 0.0000473300000000 ] - [ -0.0155882200000000, -0.0030931600000000, -0.0000473300000000 ] - [ 0.0001003200000000, -0.0000047900000000, -0.0001115600000000 ] - [ 0.0000014500000000, -0.0000004800000000, 0.0001114800000000 ] - [ 0.0310137900000000, 0.0009138200000000, 0.0003829300000000 ] - [ -0.0000020600000000, -0.0000001000000000, 0.0001096900000000 ] - [ 0.0000016200000000, 0.0000041300000000, 0.0000018400000000 ] - [ -0.0000001300000000, -0.0000025000000000, -0.0000011100000000 ] - [ 0.0000017000000000, -0.0000015100000000, -0.0001231600000000 ] - [ 0.0000014500000000, 0.0000004800000000, -0.0001114800000000 ] - [ -0.0000020800000000, -0.0000009900000000, 0.0001266800000000 ] - [ -0.0000020800000000, 0.0000009900000000, -0.0001266800000000 ] - [ -0.0000020600000000, 0.0000001000000000, -0.0001096900000000 ] - [ -0.0001144200000000, 0.0000356000000000, 0.0001116200000000 ] - [ 0.0000017000000000, 0.0000015100000000, 0.0001231600000000 ] - [ 0.0001003200000000, 0.0000047900000000, 0.0001115600000000 ] - [ 0.0000000200000000, 0.0000003800000000, -0.0001003700000000 ] - [ 0.0000258700000000, 0.0000150800000000, -0.0000574100000000 ] - [ -0.0000163100000000, 0.0000279000000000, 0.0000592500000000 ] - [ 0.0000020300000000, 0.0000061300000000, 0.0001039800000000 ] - [ 0.0000007800000000, 0.0000004000000000, -0.0001135300000000 ] - [ -0.0000703100000000, -0.0000425300000000, -0.0000638300000000 ] - [ 0.0000158200000000, -0.0000251600000000, 0.0000569400000000 ] - [ 0.0000685200000000, -0.0000476700000000, 0.0000069800000000 ] - [ -0.0000274700000000, -0.0000166900000000, -0.0000585300000000 ] - [ -0.0010833600000000, 0.0000210900000000, 0.0000575100000000 ] - [ 0.0000052300000000, 0.0000058300000000, 0.0001084600000000 ] - [ -0.0002605900000000, -0.0019787000000000, 0.0029632500000000 ] - [ -0.0000381300000000, 0.0000877300000000, -0.0001562200000000 ] - [ 0.0036281400000000, 0.0003233100000000, -0.0016069100000000 ] - [ 0.0000601300000000, 0.0000571200000000, -0.0001613800000000 ] - [ 0.0066202300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0013984300000000, 0.0003829400000000, 0.0000803800000000 ] - [ 0.0037336200000000, -0.0001592300000000, -0.0012217300000000 ] - [ 0.0037336200000000, 0.0001592300000000, 0.0012217300000000 ] - [ -0.0004483300000000, 0.0021013400000000, 0.0028916700000000 ] - [ -0.0004483300000000, -0.0021013400000000, -0.0028916700000000 ] - [ -0.0010833600000000, -0.0000210900000000, -0.0000575100000000 ] - [ -0.0073194100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000564400000000, -0.0000641000000000, 0.0000746400000000 ] - [ -0.0002605900000000, 0.0019787000000000, -0.0029632500000000 ] - [ 0.0000601100000000, -0.0000545600000000, 0.0001126500000000 ] - [ 0.0036281400000000, -0.0003233100000000, 0.0016069100000000 ] - [ 0.0013984300000000, -0.0003829400000000, -0.0000803800000000 ] - [ -0.0000604300000000, 0.0000561300000000, 0.0001125500000000 ] - [ 0.0000578200000000, 0.0000633600000000, 0.0000744900000000 ] - [ 0.0000020300000000, -0.0000061300000000, -0.0001039800000000 ] - [ 0.0000158200000000, 0.0000251600000000, -0.0000569400000000 ] - [ -0.0000274700000000, 0.0000166900000000, 0.0000585300000000 ] - [ 0.0000000200000000, -0.0000003800000000, 0.0001003700000000 ] - [ 0.0000052300000000, -0.0000058300000000, -0.0001084600000000 ] - [ -0.0000604300000000, -0.0000561300000000, -0.0001125500000000 ] - [ 0.0000258700000000, -0.0000150800000000, 0.0000574100000000 ] - [ 0.0000578200000000, -0.0000633600000000, -0.0000744900000000 ] - [ -0.0000163100000000, -0.0000279000000000, -0.0000592500000000 ] - [ 0.0000003700000000, -0.0000002900000000, 0.0000636200000000 ] - [ 0.0000007800000000, -0.0000004000000000, 0.0001135300000000 ] - [ 0.0000614200000000, 0.0000622400000000, 0.0000357200000000 ] - [ -0.0000564400000000, 0.0000641000000000, -0.0000746400000000 ] - [ -0.0001194000000000, 0.0001182700000000, -0.0001290400000000 ] - [ 0.0000601100000000, 0.0000545600000000, -0.0001126500000000 ] - [ -0.0000002300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000003100000000, 0.0000002100000000, 0.0000689800000000 ] - [ 0.0001189600000000, 0.0001184600000000, 0.0001289400000000 ] - [ 0.0001189600000000, -0.0001184600000000, -0.0001289400000000 ] - [ -0.0000604500000000, 0.0000614300000000, -0.0000356400000000 ] - [ -0.0000604500000000, -0.0000614300000000, 0.0000356400000000 ] - [ 0.0000003700000000, 0.0000002900000000, -0.0000636200000000 ] - [ 0.0000003500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000381300000000, -0.0000877300000000, 0.0001562200000000 ] - [ 0.0000614200000000, -0.0000622400000000, -0.0000357200000000 ] - [ 0.0000601300000000, -0.0000571200000000, 0.0001613800000000 ] - [ -0.0001194000000000, -0.0001182700000000, 0.0001290400000000 ] - [ -0.0000003100000000, -0.0000002100000000, -0.0000689800000000 ] - [ -0.0000703100000000, 0.0000425300000000, 0.0000638300000000 ] - [ 0.0000685200000000, 0.0000476700000000, -0.0000069800000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006080500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007789000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006450400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007420700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028309500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0795159000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030841100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0187674300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083919500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016723000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018015000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016710600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015276700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025308800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032259500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023900200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045728100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045728100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047027700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047027700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045707300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045707300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045241700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044953900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047679600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045241700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044953900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043904800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047679600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043904800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037468400000000 ] - [ 0.0002421600000000, 0.0002421600000000, -0.0013819400000000 ] - [ 0.0002063200000000, -0.0002063200000000, -0.0012828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037468400000000 ] - [ -0.0000425100000000, -0.0000425100000000, -0.0016889900000000 ] - [ -0.0002063200000000, 0.0002063200000000, -0.0012828100000000 ] - [ 0.0002165800000000, -0.0002165800000000, -0.0014792100000000 ] - [ -0.0002421600000000, -0.0002421600000000, -0.0013819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014245600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034105400000000 ] - [ 0.0033584000000000, 0.0033584000000000, 0.0022525300000000 ] - [ -0.0002165800000000, 0.0002165800000000, -0.0014792100000000 ] - [ -0.0013544600000000, 0.0013544600000000, 0.0099202100000000 ] - [ 0.0000425100000000, 0.0000425100000000, -0.0016889900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014245600000000 ] - [ -0.0013647800000000, -0.0013647800000000, 0.0105817800000000 ] - [ 0.0013544600000000, -0.0013544600000000, 0.0099202100000000 ] - [ 0.0032317300000000, -0.0032317300000000, 0.0022567000000000 ] - [ -0.0033584000000000, -0.0033584000000000, 0.0022525300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015280600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337833500000000 ] - [ 0.0000417200000000, 0.0000417200000000, -0.0011741500000000 ] - [ -0.0032317300000000, 0.0032317300000000, 0.0022567000000000 ] - [ 0.0001798100000000, -0.0001798100000000, -0.0012922300000000 ] - [ 0.0013647800000000, 0.0013647800000000, 0.0105817800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015280600000000 ] - [ -0.0001798100000000, 0.0001798100000000, -0.0012922300000000 ] - [ -0.0000417200000000, -0.0000417200000000, -0.0011741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036233200000000 ] - [ 0.0002487700000000, 0.0002487700000000, -0.0013922000000000 ] - [ 0.0001993000000000, -0.0001993000000000, -0.0012723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035319000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036233200000000 ] - [ 0.0000628000000000, 0.0000628000000000, -0.0015154900000000 ] - [ -0.0001993000000000, 0.0001993000000000, -0.0012723400000000 ] - [ 0.0001627100000000, -0.0001627100000000, -0.0013258900000000 ] - [ -0.0002487700000000, -0.0002487700000000, -0.0013922000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035810300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035319000000000 ] - [ 0.0000616500000000, 0.0000616500000000, -0.0012976900000000 ] - [ -0.0001627100000000, 0.0001627100000000, -0.0013258900000000 ] - [ -0.0001175300000000, 0.0001175300000000, -0.0014572700000000 ] - [ -0.0000628000000000, -0.0000628000000000, -0.0015154900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036623600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035810300000000 ] - [ 0.0001185000000000, 0.0001185000000000, -0.0011999600000000 ] - [ 0.0001175300000000, -0.0001175300000000, -0.0014572700000000 ] - [ -0.0000594400000000, 0.0000594400000000, -0.0013696900000000 ] - [ -0.0000616500000000, -0.0000616500000000, -0.0012976900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037030400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036623600000000 ] - [ 0.0000945300000000, 0.0000945300000000, -0.0013270300000000 ] - [ 0.0000594400000000, -0.0000594400000000, -0.0013696900000000 ] - [ 0.0000728600000000, -0.0000728600000000, -0.0014691900000000 ] - [ -0.0001185000000000, -0.0001185000000000, -0.0011999600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037030400000000 ] - [ -0.0000728600000000, 0.0000728600000000, -0.0014691900000000 ] - [ -0.0000945300000000, -0.0000945300000000, -0.0013270300000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000028500000000, 0.0000002600000000, -0.0000666000000000 ] - [ 0.0004903400000000, -0.0000016000000000, 0.0000679700000000 ] - [ 0.0000003300000000, -0.0000002600000000, -0.0000670400000000 ] - [ 0.0000002000000000, 0.0000001300000000, 0.0000672600000000 ] - [ 0.0145832800000000, -0.0000503100000000, -0.0001275100000000 ] - [ -0.0015319900000000, 0.0002674900000000, -0.0000133000000000 ] - [ -0.0592930500000000, -0.0020577500000000, 0.0001502300000000 ] - [ -0.0000047000000000, 0.0000015400000000, 0.0001263300000000 ] - [ 0.0011322200000000, 0.0000047700000000, -0.0000025900000000 ] - [ 0.0000041400000000, -0.0000001700000000, -0.0001592100000000 ] - [ -0.0000001100000000, 0.0000001400000000, -0.0001265200000000 ] - [ 0.0000003100000000, 0.0000011400000000, 0.0000011100000000 ] - [ -0.0000001200000000, 0.0000004600000000, 0.0001583700000000 ] - [ 0.0000002100000000, -0.0000002500000000, 0.0001247800000000 ] - [ 0.0000001500000000, -0.0000005100000000, 0.0000007400000000 ] - [ 0.0000005900000000, -0.0000000600000000, -0.0001585000000000 ] - [ -0.0000086300000000, -0.0000075000000000, 0.0003495100000000 ] - [ -0.0023953900000000, -0.0007549500000000, -0.0003295300000000 ] - [ 0.0000005100000000, -0.0000006900000000, 0.0003478200000000 ] - [ -0.0000006400000000, 0.0000001500000000, -0.0003471700000000 ] - [ -0.0001168200000000, 0.0000160800000000, 0.0000068700000000 ] - [ 0.0000774900000000, 0.0000281300000000, -0.0000057900000000 ] - [ 0.0313928400000000, -0.0010085000000000, 0.0001355300000000 ] - [ 0.0291687500000000, 0.0017727000000000, -0.0003692600000000 ] - [ 0.0001127800000000, -0.0000123300000000, 0.0001267800000000 ] - [ -0.0155796100000000, -0.0029459900000000, -0.0002016300000000 ] - [ -0.0145271900000000, 0.0029621900000000, -0.0000377900000000 ] - [ 0.0000016800000000, 0.0000017600000000, 0.0001153000000000 ] - [ -0.0001208600000000, -0.0000233100000000, 0.0001233800000000 ] - [ -0.0000016600000000, -0.0000000600000000, 0.0001087100000000 ] - [ 0.0000022800000000, 0.0000024300000000, 0.0000003600000000 ] - [ -0.0000016900000000, -0.0000034000000000, -0.0000004900000000 ] - [ 0.0000015000000000, 0.0000001100000000, -0.0001222900000000 ] - [ 0.0000010500000000, 0.0000006100000000, -0.0001102900000000 ] - [ -0.0000018500000000, -0.0000027900000000, 0.0001268500000000 ] - [ -0.0000016400000000, -0.0000004500000000, -0.0001255600000000 ] - [ -0.0000012700000000, -0.0000004000000000, -0.0001090100000000 ] - [ -0.0000022600000000, -0.0000029100000000, 0.0001114300000000 ] - [ 0.0000007000000000, 0.0000034300000000, 0.0001239500000000 ] - [ 0.0000014100000000, 0.0000010900000000, 0.0001095900000000 ] - [ 0.0000059300000000, -0.0000029000000000, -0.0000872700000000 ] - [ 0.0000681800000000, 0.0000183100000000, -0.0001146800000000 ] - [ -0.0000122900000000, -0.0000139700000000, -0.0000242500000000 ] - [ 0.0014779100000000, -0.0005589400000000, 0.0001091100000000 ] - [ 0.0000052600000000, -0.0000104100000000, -0.0001201600000000 ] - [ 0.0046373300000000, 0.0004148500000000, 0.0020452200000000 ] - [ 0.0000136300000000, -0.0000724700000000, 0.0001408400000000 ] - [ -0.0001786100000000, 0.0021616600000000, -0.0030539900000000 ] - [ 0.0000096500000000, -0.0000071400000000, -0.0000038200000000 ] - [ -0.0072649000000000, 0.0005262700000000, 0.0000603300000000 ] - [ -0.0010883000000000, -0.0001740200000000, 0.0001086100000000 ] - [ -0.0001167800000000, -0.0019257000000000, -0.0027156500000000 ] - [ -0.0002049000000000, 0.0023191800000000, 0.0029140800000000 ] - [ 0.0037797400000000, 0.0002230200000000, 0.0014806000000000 ] - [ 0.0048999800000000, 0.0005708600000000, -0.0024048700000000 ] - [ 0.0014026400000000, 0.0003975400000000, -0.0000028500000000 ] - [ 0.0067266300000000, -0.0001538300000000, 0.0000726200000000 ] - [ 0.0001058000000000, 0.0001258400000000, 0.0000693600000000 ] - [ 0.0038539900000000, 0.0000305300000000, -0.0016103700000000 ] - [ -0.0000511400000000, 0.0000705700000000, -0.0001109600000000 ] - [ -0.0003357700000000, -0.0020202600000000, 0.0027894200000000 ] - [ 0.0000047300000000, 0.0000041400000000, -0.0000688500000000 ] - [ -0.0010893600000000, 0.0000409000000000, -0.0000025800000000 ] - [ -0.0000458200000000, -0.0000742200000000, 0.0000733300000000 ] - [ 0.0000801800000000, -0.0000432600000000, 0.0000410400000000 ] - [ 0.0000693400000000, -0.0000426300000000, 0.0001116400000000 ] - [ -0.0001229100000000, -0.0001216700000000, 0.0001886500000000 ] - [ 0.0000022000000000, 0.0000077700000000, -0.0000624300000000 ] - [ -0.0000704700000000, 0.0000444700000000, 0.0001131400000000 ] - [ 0.0000471600000000, 0.0000739200000000, 0.0000739000000000 ] - [ 0.0000004600000000, 0.0000006700000000, -0.0001048800000000 ] - [ 0.0000262000000000, 0.0000164300000000, -0.0000574300000000 ] - [ -0.0000170700000000, 0.0000270000000000, 0.0000592400000000 ] - [ 0.0000000800000000, -0.0000002800000000, 0.0001105200000000 ] - [ -0.0000002300000000, 0.0000002200000000, -0.0001124400000000 ] - [ -0.0000606300000000, -0.0000548100000000, -0.0001125600000000 ] - [ 0.0000166300000000, -0.0000235200000000, 0.0000583100000000 ] - [ 0.0000579900000000, -0.0000644900000000, -0.0000738000000000 ] - [ -0.0000256000000000, -0.0000175900000000, -0.0000581400000000 ] - [ 0.0000000500000000, -0.0000001400000000, 0.0000575200000000 ] - [ 0.0000000400000000, 0.0000002100000000, 0.0001077800000000 ] - [ 0.0000539500000000, 0.0000691600000000, 0.0000355000000000 ] - [ -0.0000576900000000, 0.0000642900000000, -0.0000739900000000 ] - [ -0.0001266100000000, 0.0001116500000000, -0.0001291400000000 ] - [ 0.0000610300000000, 0.0000545100000000, -0.0001125700000000 ] - [ -0.0000001900000000, -0.0000002100000000, -0.0000090800000000 ] - [ -0.0000001000000000, 0.0000000400000000, 0.0000714500000000 ] - [ 0.0001109500000000, 0.0001269800000000, 0.0001289100000000 ] - [ 0.0001256800000000, -0.0001114700000000, -0.0001291100000000 ] - [ -0.0000684200000000, 0.0000528600000000, -0.0000355700000000 ] - [ -0.0000536000000000, -0.0000687000000000, 0.0000355000000000 ] - [ 0.0000006800000000, 0.0000000000000000, -0.0000662100000000 ] - [ 0.0000001900000000, 0.0000002900000000, 0.0000096900000000 ] - [ -0.0000618100000000, -0.0000605900000000, 0.0000732100000000 ] - [ 0.0000694200000000, -0.0000541300000000, -0.0000354900000000 ] - [ 0.0000590200000000, -0.0000587500000000, 0.0001113200000000 ] - [ -0.0001104800000000, -0.0001261300000000, 0.0001291900000000 ] - [ -0.0000004100000000, -0.0000007600000000, -0.0000752100000000 ] - [ -0.0000560400000000, 0.0000572800000000, 0.0001121900000000 ] - [ 0.0000613300000000, 0.0000611400000000, 0.0000733500000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006433200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0191119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085578700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0860389600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019204200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029884100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016408900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015714000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016936800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015536800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032491600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0117720500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024163100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098917500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045365900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098917500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047527000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045365900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047527000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046318800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046318800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045833600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045545800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045833600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045545800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047533100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047533100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036659600000000 ] - [ 0.0002625900000000, 0.0002625900000000, -0.0014623700000000 ] - [ 0.0004458900000000, -0.0004458900000000, -0.0015071300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014212000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036659600000000 ] - [ 0.0020463700000000, 0.0020463700000000, 0.0116715300000000 ] - [ -0.0004458900000000, 0.0004458900000000, -0.0015071300000000 ] - [ -0.0035077800000000, 0.0035077800000000, 0.0027198800000000 ] - [ -0.0002625900000000, -0.0002625900000000, -0.0014623700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0343152200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014212000000000 ] - [ -0.0032202100000000, -0.0032202100000000, 0.0026689600000000 ] - [ 0.0035077800000000, -0.0035077800000000, 0.0027198800000000 ] - [ 0.0012595200000000, -0.0012595200000000, 0.0100314700000000 ] - [ -0.0020463700000000, -0.0020463700000000, 0.0116715300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015167600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0343152200000000 ] - [ 0.0002138600000000, 0.0002138600000000, -0.0013605600000000 ] - [ -0.0012595200000000, 0.0012595200000000, 0.0100314700000000 ] - [ -0.0000952800000000, 0.0000952800000000, -0.0015475400000000 ] - [ 0.0032202100000000, 0.0032202100000000, 0.0026689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015167600000000 ] - [ 0.0000443900000000, 0.0000443900000000, -0.0011966800000000 ] - [ 0.0000952800000000, -0.0000952800000000, -0.0015475400000000 ] - [ 0.0001885900000000, -0.0001885900000000, -0.0013246600000000 ] - [ -0.0002138600000000, -0.0002138600000000, -0.0013605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036234000000000 ] - [ -0.0001885900000000, 0.0001885900000000, -0.0013246600000000 ] - [ -0.0000443900000000, -0.0000443900000000, -0.0011966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037925900000000 ] - [ 0.0002440300000000, 0.0002440300000000, -0.0013915700000000 ] - [ 0.0002013300000000, -0.0002013300000000, -0.0012825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035859100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037925900000000 ] - [ 0.0000642800000000, 0.0000642800000000, -0.0015318600000000 ] - [ -0.0002013300000000, 0.0002013300000000, -0.0012825200000000 ] - [ 0.0001642100000000, -0.0001642100000000, -0.0013411800000000 ] - [ -0.0002440300000000, -0.0002440300000000, -0.0013915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036284300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035859100000000 ] - [ 0.0000617000000000, 0.0000617000000000, -0.0013140500000000 ] - [ -0.0001642100000000, 0.0001642100000000, -0.0013411800000000 ] - [ -0.0001176300000000, 0.0001176300000000, -0.0014736500000000 ] - [ -0.0000642800000000, -0.0000642800000000, -0.0015318600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036284300000000 ] - [ 0.0001184700000000, 0.0001184700000000, -0.0012174300000000 ] - [ 0.0001176300000000, -0.0001176300000000, -0.0014736500000000 ] - [ -0.0000593200000000, 0.0000593200000000, -0.0013873600000000 ] - [ -0.0000617000000000, -0.0000617000000000, -0.0013140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037074900000000 ] - [ 0.0000463200000000, 0.0000463200000000, -0.0011983900000000 ] - [ 0.0000593200000000, -0.0000593200000000, -0.0013873600000000 ] - [ 0.0001798600000000, -0.0001798600000000, -0.0013202600000000 ] - [ -0.0001184700000000, -0.0001184700000000, -0.0012174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037389800000000 ] - [ -0.0001798600000000, 0.0001798600000000, -0.0013202600000000 ] - [ -0.0000463200000000, -0.0000463200000000, -0.0011983900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007778200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0188680800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084280900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0866824200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029882900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018216900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016943700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015493400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0126558100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024261200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031120100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098336500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042924500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098336500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042924500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046384600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046384600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048284400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048284400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045450000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045450000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034530000000000 ] - [ -0.0002185700000000, -0.0002185700000000, 0.0013520800000000 ] - [ -0.0004936800000000, 0.0004936800000000, 0.0016215000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016129800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034530000000000 ] - [ -0.0024488500000000, -0.0024488500000000, -0.0124304600000000 ] - [ 0.0004936800000000, -0.0004936800000000, 0.0016215000000000 ] - [ 0.0036303200000000, -0.0036303200000000, -0.0029395300000000 ] - [ 0.0002185700000000, 0.0002185700000000, 0.0013520800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0342062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016129800000000 ] - [ 0.0033521400000000, 0.0033521400000000, -0.0025156400000000 ] - [ -0.0036303200000000, 0.0036303200000000, -0.0029395300000000 ] - [ -0.0012524100000000, 0.0012524100000000, -0.0098870300000000 ] - [ 0.0024488500000000, 0.0024488500000000, -0.0124304600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0342062500000000 ] - [ 0.0000247200000000, 0.0000247200000000, 0.0016151100000000 ] - [ 0.0012524100000000, -0.0012524100000000, -0.0098870300000000 ] - [ -0.0000241500000000, 0.0000241500000000, 0.0014762700000000 ] - [ -0.0033521400000000, -0.0033521400000000, -0.0025156400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035055400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015348600000000 ] - [ -0.0001660900000000, -0.0001660900000000, 0.0013487200000000 ] - [ 0.0000241500000000, -0.0000241500000000, 0.0014762700000000 ] - [ -0.0000728100000000, 0.0000728100000000, 0.0015490300000000 ] - [ -0.0000247200000000, -0.0000247200000000, 0.0016151100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035055400000000 ] - [ 0.0000728100000000, -0.0000728100000000, 0.0015490300000000 ] - [ 0.0001660900000000, 0.0001660900000000, 0.0013487200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035786200000000 ] - [ -0.0002023200000000, -0.0002023200000000, 0.0012844700000000 ] - [ -0.0002438200000000, 0.0002438200000000, 0.0013925000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035786200000000 ] - [ -0.0001808100000000, -0.0001808100000000, 0.0013082700000000 ] - [ 0.0002438200000000, -0.0002438200000000, 0.0013925000000000 ] - [ -0.0000426600000000, 0.0000426600000000, 0.0011895100000000 ] - [ 0.0002023200000000, 0.0002023200000000, 0.0012844700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038019600000000 ] - [ 0.0000593200000000, 0.0000593200000000, 0.0013871000000000 ] - [ 0.0000426600000000, -0.0000426600000000, 0.0011895100000000 ] - [ -0.0001182200000000, 0.0001182200000000, 0.0012171300000000 ] - [ 0.0001808100000000, 0.0001808100000000, 0.0013082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037479000000000 ] - [ 0.0001180100000000, 0.0001180100000000, 0.0014743000000000 ] - [ 0.0001182200000000, -0.0001182200000000, 0.0012171300000000 ] - [ -0.0000620200000000, 0.0000620200000000, 0.0013149300000000 ] - [ -0.0000593200000000, -0.0000593200000000, 0.0013871000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036189100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037102300000000 ] - [ -0.0001680600000000, -0.0001680600000000, 0.0013509800000000 ] - [ 0.0000620200000000, -0.0000620200000000, 0.0013149300000000 ] - [ -0.0000621800000000, 0.0000621800000000, 0.0015445400000000 ] - [ -0.0001180100000000, -0.0001180100000000, 0.0014743000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036189100000000 ] - [ 0.0000621800000000, -0.0000621800000000, 0.0015445400000000 ] - [ 0.0001680600000000, 0.0001680600000000, 0.0013509800000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003900000000, -0.0000001300000000, -0.0000672500000000 ] - [ 0.0000022100000000, 0.0000000900000000, 0.0000670600000000 ] - [ 0.0000022100000000, -0.0000000900000000, -0.0000670600000000 ] - [ 0.0000003900000000, 0.0000001300000000, 0.0000672500000000 ] - [ -0.0015188400000000, -0.0002601600000000, -0.0001131700000000 ] - [ 0.0146575900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011325500000000, 0.0000040900000000, 0.0001610200000000 ] - [ -0.0015188400000000, 0.0002601600000000, 0.0001131700000000 ] - [ -0.0573728400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011325500000000, -0.0000040900000000, -0.0001610200000000 ] - [ -0.0000001800000000, 0.0000004100000000, -0.0001273900000000 ] - [ 0.0000010800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000000300000000, 0.0000001100000000, 0.0001592800000000 ] - [ -0.0000001800000000, -0.0000004100000000, 0.0001273900000000 ] - [ -0.0000004700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000000300000000, -0.0000001100000000, -0.0001592800000000 ] - [ -0.0000003400000000, 0.0000002500000000, 0.0003477500000000 ] - [ -0.0000063500000000, -0.0000040400000000, -0.0003481800000000 ] - [ -0.0000063500000000, 0.0000040400000000, 0.0003481800000000 ] - [ -0.0000003400000000, -0.0000002500000000, -0.0003477500000000 ] - [ -0.0000009200000000, 0.0000032000000000, 0.0000012500000000 ] - [ 0.0000015100000000, -0.0000005200000000, -0.0000021100000000 ] - [ -0.0156086100000000, 0.0029517000000000, -0.0000509900000000 ] - [ 0.0000991000000000, 0.0000256000000000, -0.0001149200000000 ] - [ 0.0310264100000000, -0.0009986300000000, 0.0003799300000000 ] - [ 0.0310264100000000, 0.0009986300000000, -0.0003799300000000 ] - [ -0.0001093900000000, 0.0000254600000000, -0.0001086200000000 ] - [ 0.0000016500000000, -0.0000000700000000, 0.0001114800000000 ] - [ -0.0156086100000000, -0.0029517000000000, 0.0000509900000000 ] - [ -0.0000020500000000, -0.0000001900000000, 0.0001102000000000 ] - [ 0.0000015100000000, 0.0000005200000000, 0.0000021100000000 ] - [ -0.0000009200000000, -0.0000032000000000, -0.0000012500000000 ] - [ 0.0000016200000000, -0.0000014600000000, -0.0001232600000000 ] - [ 0.0000016500000000, 0.0000000700000000, -0.0001114800000000 ] - [ -0.0000020000000000, -0.0000008900000000, 0.0001265400000000 ] - [ -0.0000020000000000, 0.0000008900000000, -0.0001265400000000 ] - [ -0.0000020500000000, 0.0000001900000000, -0.0001102000000000 ] - [ 0.0000991000000000, -0.0000256000000000, 0.0001149200000000 ] - [ 0.0000016200000000, 0.0000014600000000, 0.0001232600000000 ] - [ -0.0001093900000000, -0.0000254600000000, 0.0001086200000000 ] - [ 0.0000003700000000, -0.0000003300000000, -0.0000995100000000 ] - [ 0.0000264600000000, 0.0000146200000000, -0.0000576600000000 ] - [ -0.0000161700000000, 0.0000268700000000, 0.0000575700000000 ] - [ 0.0000050300000000, -0.0000051300000000, 0.0001052400000000 ] - [ 0.0000004400000000, -0.0000005400000000, -0.0001136100000000 ] - [ -0.0000512100000000, -0.0000680500000000, -0.0001795700000000 ] - [ 0.0000156000000000, -0.0000265900000000, 0.0000586500000000 ] - [ 0.0000444500000000, -0.0000735400000000, -0.0001328100000000 ] - [ -0.0000272800000000, -0.0000169500000000, -0.0000584100000000 ] - [ 0.0014063900000000, -0.0003997300000000, 0.0000556000000000 ] - [ 0.0000036900000000, -0.0000091700000000, 0.0001061500000000 ] - [ 0.0034716800000000, -0.0003668700000000, 0.0010772400000000 ] - [ -0.0000618500000000, 0.0000598700000000, -0.0000151300000000 ] - [ -0.0004907100000000, 0.0021406900000000, -0.0030233100000000 ] - [ 0.0000788500000000, 0.0000326200000000, -0.0000475200000000 ] - [ -0.0073444800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010834300000000, -0.0000224700000000, 0.0000823700000000 ] - [ -0.0001410800000000, -0.0019462600000000, -0.0027631100000000 ] - [ -0.0001410800000000, 0.0019462600000000, 0.0027631100000000 ] - [ 0.0035231800000000, 0.0004664100000000, 0.0011259800000000 ] - [ 0.0035231800000000, -0.0004664100000000, -0.0011259800000000 ] - [ 0.0014063900000000, 0.0003997300000000, -0.0000556000000000 ] - [ 0.0066154200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000556500000000, -0.0000642100000000, 0.0000743300000000 ] - [ 0.0034716800000000, 0.0003668700000000, -0.0010772400000000 ] - [ 0.0000608100000000, -0.0000539200000000, 0.0001128200000000 ] - [ -0.0004907100000000, -0.0021406900000000, 0.0030233100000000 ] - [ -0.0010834300000000, 0.0000224700000000, -0.0000823700000000 ] - [ -0.0000613500000000, 0.0000552200000000, 0.0001127600000000 ] - [ 0.0000562700000000, 0.0000642500000000, 0.0000742000000000 ] - [ 0.0000050300000000, 0.0000051300000000, -0.0001052400000000 ] - [ 0.0000156000000000, 0.0000265900000000, -0.0000586500000000 ] - [ -0.0000272800000000, 0.0000169500000000, 0.0000584100000000 ] - [ 0.0000003700000000, 0.0000003300000000, 0.0000995100000000 ] - [ 0.0000036900000000, 0.0000091700000000, -0.0001061500000000 ] - [ -0.0000613500000000, -0.0000552200000000, -0.0001127600000000 ] - [ 0.0000264600000000, -0.0000146200000000, 0.0000576600000000 ] - [ 0.0000562700000000, -0.0000642500000000, -0.0000742000000000 ] - [ -0.0000161700000000, -0.0000268700000000, -0.0000575700000000 ] - [ 0.0000003800000000, -0.0000002400000000, 0.0000632800000000 ] - [ 0.0000004400000000, 0.0000005400000000, 0.0001136100000000 ] - [ 0.0000617900000000, 0.0000620900000000, 0.0000358300000000 ] - [ -0.0000556500000000, 0.0000642100000000, -0.0000743300000000 ] - [ -0.0001192400000000, 0.0001185700000000, -0.0001289200000000 ] - [ 0.0000608100000000, 0.0000539200000000, -0.0001128200000000 ] - [ -0.0000002500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000003300000000, 0.0000002800000000, 0.0000693900000000 ] - [ 0.0001188400000000, 0.0001187400000000, 0.0001287900000000 ] - [ 0.0001188400000000, -0.0001187400000000, -0.0001287900000000 ] - [ -0.0000608600000000, 0.0000612200000000, -0.0000357400000000 ] - [ -0.0000608600000000, -0.0000612200000000, 0.0000357400000000 ] - [ 0.0000003800000000, 0.0000002400000000, -0.0000632800000000 ] - [ 0.0000003700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000618500000000, -0.0000598700000000, 0.0000151300000000 ] - [ 0.0000617900000000, -0.0000620900000000, -0.0000358300000000 ] - [ 0.0000788500000000, -0.0000326200000000, 0.0000475200000000 ] - [ -0.0001192400000000, -0.0001185700000000, 0.0001289200000000 ] - [ -0.0000003300000000, -0.0000002800000000, -0.0000693900000000 ] - [ -0.0000512100000000, 0.0000680500000000, 0.0001795700000000 ] - [ 0.0000444500000000, 0.0000735400000000, 0.0001328100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006076500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007736100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007415700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0187668100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031538700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0776496600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028229600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015487600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016711100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018594200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017999900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016696200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015264100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030837400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025351200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032307200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023880300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045660700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045660700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097098300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041892100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095183000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097098300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041892100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046990300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095183000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046990300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047644000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043931300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047644000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043931300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037432700000000 ] - [ 0.0002426800000000, 0.0002426800000000, -0.0013819800000000 ] - [ 0.0002082700000000, -0.0002082700000000, -0.0012798500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037432700000000 ] - [ 0.0000186000000000, 0.0000186000000000, -0.0016867300000000 ] - [ -0.0002082700000000, 0.0002082700000000, -0.0012798500000000 ] - [ 0.0002748300000000, -0.0002748300000000, -0.0014614000000000 ] - [ -0.0002426800000000, -0.0002426800000000, -0.0013819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034055800000000 ] - [ 0.0009798800000000, 0.0009798800000000, 0.0094231400000000 ] - [ -0.0002748300000000, 0.0002748300000000, -0.0014614000000000 ] - [ -0.0034001700000000, 0.0034001700000000, 0.0023636200000000 ] - [ -0.0000186000000000, -0.0000186000000000, -0.0016867300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014314300000000 ] - [ -0.0031543300000000, -0.0031543300000000, 0.0027008300000000 ] - [ 0.0034001700000000, -0.0034001700000000, 0.0023636200000000 ] - [ 0.0010930200000000, -0.0010930200000000, 0.0097444300000000 ] - [ -0.0009798800000000, -0.0009798800000000, 0.0094231400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015348500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337475800000000 ] - [ 0.0000417600000000, 0.0000417600000000, -0.0011738400000000 ] - [ -0.0010930200000000, 0.0010930200000000, 0.0097444300000000 ] - [ 0.0001797400000000, -0.0001797400000000, -0.0012907700000000 ] - [ 0.0031543300000000, 0.0031543300000000, 0.0027008300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015348500000000 ] - [ -0.0001797400000000, 0.0001797400000000, -0.0012907700000000 ] - [ -0.0000417600000000, -0.0000417600000000, -0.0011738400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036179200000000 ] - [ 0.0002508500000000, 0.0002508500000000, -0.0013893900000000 ] - [ 0.0001997000000000, -0.0001997000000000, -0.0012723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035286900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036179200000000 ] - [ 0.0000628300000000, 0.0000628300000000, -0.0015145000000000 ] - [ -0.0001997000000000, 0.0001997000000000, -0.0012723400000000 ] - [ 0.0001626400000000, -0.0001626400000000, -0.0013251700000000 ] - [ -0.0002508500000000, -0.0002508500000000, -0.0013893900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035783400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035286900000000 ] - [ 0.0000617200000000, 0.0000617200000000, -0.0012964500000000 ] - [ -0.0001626400000000, 0.0001626400000000, -0.0013251700000000 ] - [ -0.0001176200000000, 0.0001176200000000, -0.0014560900000000 ] - [ -0.0000628300000000, -0.0000628300000000, -0.0015145000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036593600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035783400000000 ] - [ 0.0001185400000000, 0.0001185400000000, -0.0011989600000000 ] - [ 0.0001176200000000, -0.0001176200000000, -0.0014560900000000 ] - [ -0.0000595100000000, 0.0000595100000000, -0.0013687100000000 ] - [ -0.0000617200000000, -0.0000617200000000, -0.0012964500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036593600000000 ] - [ 0.0001570300000000, 0.0001570300000000, -0.0013127700000000 ] - [ 0.0000595100000000, -0.0000595100000000, -0.0013687100000000 ] - [ 0.0001369900000000, -0.0001369900000000, -0.0014620400000000 ] - [ -0.0001185400000000, -0.0001185400000000, -0.0011989600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036996400000000 ] - [ -0.0001369900000000, 0.0001369900000000, -0.0014620400000000 ] - [ -0.0001570300000000, -0.0001570300000000, -0.0013127700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0083090400000000, 0.0000426600000000, -0.0000668700000000 ] - [ -0.0010651500000000, -0.0003508800000000, 0.0000613300000000 ] - [ -0.0000004300000000, -0.0000002900000000, -0.0000671000000000 ] - [ -0.0000000200000000, 0.0000001200000000, 0.0000672500000000 ] - [ 0.0000106100000000, 0.0000001600000000, -0.0001260500000000 ] - [ 0.0000003800000000, -0.0000003200000000, -0.0000002500000000 ] - [ -0.0000079400000000, -0.0000085400000000, 0.0001583000000000 ] - [ -0.0000005100000000, -0.0000004100000000, 0.0001265100000000 ] - [ -0.0000010200000000, 0.0000003300000000, -0.0000006500000000 ] - [ -0.0000001300000000, -0.0000002400000000, -0.0001592200000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0001265200000000 ] - [ 0.0000074500000000, 0.0000000600000000, 0.0000011100000000 ] - [ -0.0000002700000000, 0.0000004500000000, 0.0001579000000000 ] - [ 0.0017951900000000, -0.0000700900000000, 0.0001290000000000 ] - [ -0.0000056300000000, 0.0000035700000000, 0.0000009100000000 ] - [ -0.0023949700000000, 0.0007539300000000, -0.0001429600000000 ] - [ -0.0602768000000000, 0.0023552100000000, 0.0003798200000000 ] - [ 0.0028013700000000, -0.0000010700000000, -0.0003541500000000 ] - [ -0.0000006100000000, -0.0000007700000000, 0.0003473100000000 ] - [ -0.0000002000000000, 0.0000005000000000, -0.0003471500000000 ] - [ -0.0219047200000000, 0.0105247700000000, -0.0000999200000000 ] - [ 0.0432455400000000, 0.0001631700000000, 0.0004084200000000 ] - [ 0.0000000300000000, 0.0000017300000000, -0.0001258400000000 ] - [ 0.0002063200000000, 0.0000082500000000, -0.0001099800000000 ] - [ 0.0000012000000000, 0.0000019800000000, 0.0001244600000000 ] - [ 0.0000012300000000, 0.0000030300000000, -0.0001248300000000 ] - [ -0.0001897200000000, 0.0000840700000000, -0.0001095000000000 ] - [ 0.0445486000000000, -0.0014184500000000, -0.0003078000000000 ] - [ -0.0000010600000000, -0.0000021300000000, 0.0001242300000000 ] - [ -0.0238367400000000, -0.0072650400000000, 0.0002112200000000 ] - [ 0.0000027000000000, 0.0000026500000000, 0.0000000800000000 ] - [ -0.0000015900000000, -0.0000034500000000, -0.0000008500000000 ] - [ 0.0000016800000000, -0.0000017900000000, -0.0001227400000000 ] - [ 0.0000008500000000, 0.0000004500000000, -0.0001104500000000 ] - [ 0.0001793600000000, -0.0000077300000000, 0.0001249100000000 ] - [ -0.0000016400000000, -0.0000018200000000, -0.0001258100000000 ] - [ -0.0000013500000000, -0.0000006400000000, -0.0001090700000000 ] - [ -0.0000021900000000, -0.0000016700000000, 0.0001107000000000 ] - [ -0.0001929200000000, -0.0000440600000000, 0.0001250500000000 ] - [ 0.0000016800000000, 0.0000022200000000, 0.0001090700000000 ] - [ 0.0101706300000000, -0.0006557800000000, -0.0000900700000000 ] - [ 0.0079374400000000, -0.0000158400000000, -0.0052605500000000 ] - [ -0.0023479500000000, 0.0028198900000000, 0.0053526600000000 ] - [ -0.0018752000000000, 0.0000960900000000, 0.0000983600000000 ] - [ -0.0295173100000000, -0.0007910800000000, -0.0001233200000000 ] - [ -0.0000596400000000, -0.0001201300000000, 0.0000857500000000 ] - [ -0.0022434300000000, 0.0028351400000000, -0.0052877400000000 ] - [ -0.0000056800000000, -0.0000391100000000, 0.0000023100000000 ] - [ 0.0082305000000000, 0.0000923700000000, 0.0054831500000000 ] - [ -0.0000025000000000, -0.0000152500000000, 0.0000632800000000 ] - [ 0.0021502800000000, -0.0013200300000000, 0.0001087600000000 ] - [ 0.0000657600000000, 0.0000567100000000, 0.0000357600000000 ] - [ -0.0001183700000000, 0.0000933900000000, -0.0001508100000000 ] - [ -0.0001154800000000, 0.0001223100000000, -0.0001284500000000 ] - [ 0.0000683600000000, -0.0000181200000000, -0.0003074500000000 ] - [ 0.0000000700000000, -0.0000005200000000, -0.0000005800000000 ] - [ 0.0000109200000000, -0.0000134200000000, 0.0000648800000000 ] - [ 0.0001137800000000, 0.0001241400000000, 0.0001293300000000 ] - [ 0.0001147400000000, -0.0001233300000000, -0.0001298800000000 ] - [ -0.0000672900000000, 0.0000565200000000, -0.0000354700000000 ] - [ -0.0000654000000000, -0.0000587600000000, 0.0000352800000000 ] - [ -0.0000002200000000, -0.0000002900000000, -0.0000689300000000 ] - [ 0.0000001700000000, -0.0000010800000000, 0.0000021500000000 ] - [ -0.0009097800000000, -0.0036179100000000, 0.0052306200000000 ] - [ 0.0000664800000000, -0.0000559100000000, -0.0000353800000000 ] - [ 0.0090874500000000, -0.0009727600000000, -0.0048818600000000 ] - [ -0.0001135300000000, -0.0001245700000000, 0.0001293700000000 ] - [ 0.0000003100000000, 0.0000001800000000, -0.0000602500000000 ] - [ 0.0086000600000000, -0.0007336700000000, 0.0047627400000000 ] - [ -0.0009313100000000, -0.0033969600000000, -0.0050509300000000 ] - [ 0.0000000900000000, 0.0000000000000000, -0.0001070200000000 ] - [ 0.0000256500000000, 0.0000170700000000, -0.0000578600000000 ] - [ -0.0000177800000000, 0.0000265300000000, 0.0000590200000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0001128600000000 ] - [ -0.0000002500000000, -0.0000000700000000, -0.0001122500000000 ] - [ -0.0000602300000000, -0.0000553100000000, -0.0001124300000000 ] - [ 0.0000164000000000, -0.0000240700000000, 0.0000581000000000 ] - [ 0.0000590900000000, -0.0000635100000000, -0.0000731400000000 ] - [ -0.0000259700000000, -0.0000174300000000, -0.0000585700000000 ] - [ 0.0000001000000000, 0.0000003500000000, 0.0000570800000000 ] - [ -0.0000000300000000, 0.0000001300000000, 0.0001092800000000 ] - [ 0.0000537100000000, 0.0000693500000000, 0.0000358900000000 ] - [ -0.0000575400000000, 0.0000643600000000, -0.0000733800000000 ] - [ -0.0001258600000000, 0.0001123600000000, -0.0001288800000000 ] - [ 0.0000607000000000, 0.0000550600000000, -0.0001123900000000 ] - [ 0.0000017500000000, 0.0000121400000000, -0.0000104800000000 ] - [ 0.0000003800000000, 0.0000007400000000, 0.0000708000000000 ] - [ 0.0000898700000000, 0.0001324500000000, 0.0002133000000000 ] - [ 0.0001262300000000, -0.0001107900000000, -0.0001294800000000 ] - [ -0.0000322500000000, 0.0000633500000000, 0.0000874300000000 ] - [ -0.0000538300000000, -0.0000682300000000, 0.0000350800000000 ] - [ -0.0017234800000000, 0.0000551300000000, -0.0000581500000000 ] - [ 0.0000087100000000, 0.0000076400000000, 0.0000124900000000 ] - [ -0.0000630600000000, -0.0000596600000000, 0.0000734100000000 ] - [ 0.0001056200000000, -0.0000421500000000, -0.0001607200000000 ] - [ 0.0000568400000000, -0.0000598200000000, 0.0001117900000000 ] - [ -0.0001300100000000, -0.0001219900000000, 0.0000463900000000 ] - [ 0.0022057800000000, 0.0008963700000000, -0.0000757100000000 ] - [ -0.0000551100000000, 0.0000579800000000, 0.0001119200000000 ] - [ 0.0000627800000000, 0.0000597900000000, 0.0000730400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0133595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052535400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027437300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027385000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030700000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028596300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027363800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025984200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026183900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028781700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029404700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052024400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028829600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0119484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1380595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080363900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047983800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041059300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0217745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0217745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0077074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0218627400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0077074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0218627400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073978600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073978600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0590515800000000 ] - [ -0.0051457700000000, -0.0051457700000000, 0.0249901900000000 ] - [ 0.0043427500000000, -0.0043427500000000, 0.0002275800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021035900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0590515800000000 ] - [ 0.0003618700000000, 0.0003618700000000, -0.0028367100000000 ] - [ -0.0043427500000000, 0.0043427500000000, 0.0002275800000000 ] - [ 0.0002102200000000, -0.0002102200000000, -0.0021741800000000 ] - [ 0.0051457700000000, 0.0051457700000000, 0.0249901900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021035900000000 ] - [ 0.0000639300000000, 0.0000639300000000, -0.0021614900000000 ] - [ -0.0002102200000000, 0.0002102200000000, -0.0021741800000000 ] - [ -0.0001216500000000, 0.0001216500000000, -0.0023082900000000 ] - [ -0.0003618700000000, -0.0003618700000000, -0.0028367100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059647100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056866600000000 ] - [ 0.0001183900000000, 0.0001183900000000, -0.0020402400000000 ] - [ 0.0001216500000000, -0.0001216500000000, -0.0023082900000000 ] - [ -0.0000583900000000, 0.0000583900000000, -0.0022128700000000 ] - [ -0.0000639300000000, -0.0000639300000000, -0.0021614900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059647100000000 ] - [ 0.0051025900000000, 0.0051025900000000, 0.0012471000000000 ] - [ 0.0000583900000000, -0.0000583900000000, -0.0022128700000000 ] - [ -0.0037184600000000, 0.0037184600000000, 0.0213134900000000 ] - [ -0.0001183900000000, -0.0001183900000000, -0.0020402400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060023000000000 ] - [ 0.0037184600000000, -0.0037184600000000, 0.0213134900000000 ] - [ -0.0051025900000000, -0.0051025900000000, 0.0012471000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060616200000000 ] - [ 0.0003785200000000, 0.0003785200000000, -0.0022085100000000 ] - [ 0.0003377700000000, -0.0003377700000000, -0.0021005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058455300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060616200000000 ] - [ 0.0001389700000000, 0.0001389700000000, -0.0024012400000000 ] - [ -0.0003377700000000, 0.0003377700000000, -0.0021005100000000 ] - [ 0.0002273200000000, -0.0002273200000000, -0.0021152700000000 ] - [ -0.0003785200000000, -0.0003785200000000, -0.0022085100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058681500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058455300000000 ] - [ 0.0000581000000000, 0.0000581000000000, -0.0021546200000000 ] - [ -0.0002273200000000, 0.0002273200000000, -0.0021152700000000 ] - [ -0.0001148500000000, 0.0001148500000000, -0.0023151300000000 ] - [ -0.0001389700000000, -0.0001389700000000, -0.0024012400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057833200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058681500000000 ] - [ -0.0000177700000000, -0.0000177700000000, -0.0022541300000000 ] - [ 0.0001148500000000, -0.0001148500000000, -0.0023151300000000 ] - [ -0.0000033600000000, 0.0000033600000000, -0.0024852800000000 ] - [ -0.0000581000000000, -0.0000581000000000, -0.0021546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057833200000000 ] - [ 0.0001061700000000, 0.0001061700000000, -0.0019634000000000 ] - [ 0.0000033600000000, -0.0000033600000000, -0.0024852800000000 ] - [ 0.0002566800000000, -0.0002566800000000, -0.0021766900000000 ] - [ 0.0000177700000000, 0.0000177700000000, -0.0022541300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024453800000000 ] - [ -0.0002566800000000, 0.0002566800000000, -0.0021766900000000 ] - [ -0.0001061700000000, -0.0001061700000000, -0.0019634000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0132202500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050353900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011640600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029915100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027370300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027361000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026079400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029302900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028670500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028782300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026065600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049611300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028838000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0124748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1387190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0087071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047989000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0216378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0216378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0076960000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074552900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0076960000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0221794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074552900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0221794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074699600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074699600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0076935600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0076046300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070245200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0076935600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0076046300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073974500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070245200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073974500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0592381100000000 ] - [ 0.0046024700000000, 0.0046024700000000, -0.0241237900000000 ] - [ -0.0043463700000000, 0.0043463700000000, -0.0000942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023416900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0592381100000000 ] - [ -0.0004787500000000, -0.0004787500000000, 0.0026124000000000 ] - [ 0.0043463700000000, -0.0043463700000000, -0.0000942500000000 ] - [ -0.0000903000000000, 0.0000903000000000, 0.0020190000000000 ] - [ -0.0046024700000000, -0.0046024700000000, -0.0241237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058083900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023416900000000 ] - [ 0.0000568300000000, 0.0000568300000000, 0.0022325600000000 ] - [ 0.0000903000000000, -0.0000903000000000, 0.0020190000000000 ] - [ -0.0001140700000000, 0.0001140700000000, 0.0020498500000000 ] - [ 0.0004787500000000, 0.0004787500000000, 0.0026124000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059620900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058083900000000 ] - [ 0.0001170700000000, 0.0001170700000000, 0.0022967500000000 ] - [ 0.0001140700000000, -0.0001140700000000, 0.0020498500000000 ] - [ -0.0000617800000000, 0.0000617800000000, 0.0021400600000000 ] - [ -0.0000568300000000, -0.0000568300000000, 0.0022325600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059620900000000 ] - [ -0.0052450800000000, -0.0052450800000000, -0.0011652500000000 ] - [ 0.0000617800000000, -0.0000617800000000, 0.0021400600000000 ] - [ 0.0043662200000000, -0.0043662200000000, -0.0219535800000000 ] - [ -0.0001170700000000, -0.0001170700000000, 0.0022967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058790300000000 ] - [ -0.0043662200000000, 0.0043662200000000, -0.0219535800000000 ] - [ 0.0052450800000000, 0.0052450800000000, -0.0011652500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058447200000000 ] - [ -0.0003376200000000, -0.0003376200000000, 0.0021001000000000 ] - [ -0.0003793700000000, 0.0003793700000000, 0.0022085500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058447200000000 ] - [ -0.0002556400000000, -0.0002556400000000, 0.0021767600000000 ] - [ 0.0003793700000000, -0.0003793700000000, 0.0022085500000000 ] - [ -0.0001062700000000, 0.0001062700000000, 0.0019635600000000 ] - [ 0.0003376200000000, 0.0003376200000000, 0.0021001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059872800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060569500000000 ] - [ 0.0000627300000000, 0.0000627300000000, 0.0022260900000000 ] - [ 0.0001062700000000, -0.0001062700000000, 0.0019635600000000 ] - [ -0.0001208400000000, 0.0001208400000000, 0.0020570600000000 ] - [ 0.0002556400000000, 0.0002556400000000, 0.0021767600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057814400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059872800000000 ] - [ 0.0002576500000000, 0.0002576500000000, 0.0025145000000000 ] - [ 0.0001208400000000, -0.0001208400000000, 0.0020570600000000 ] - [ -0.0001163100000000, 0.0001163100000000, 0.0024120200000000 ] - [ -0.0000627300000000, -0.0000627300000000, 0.0022260900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022882200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057814400000000 ] - [ -0.0002273600000000, -0.0002273600000000, 0.0021149900000000 ] - [ 0.0001163100000000, -0.0001163100000000, 0.0024120200000000 ] - [ -0.0001385000000000, 0.0001385000000000, 0.0023995500000000 ] - [ -0.0002576500000000, -0.0002576500000000, 0.0025145000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022882200000000 ] - [ 0.0001385000000000, -0.0001385000000000, 0.0023995500000000 ] - [ 0.0002273600000000, 0.0002273600000000, 0.0021149900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0127829400000000, -0.0014849500000000, -0.0001901900000000 ] - [ -0.0064006600000000, 0.0008889100000000, 0.0000920400000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0000666700000000 ] - [ 0.0000001900000000, 0.0000001300000000, 0.0000675100000000 ] - [ 0.0001266300000000, -0.0000690000000000, -0.0001249800000000 ] - [ 0.0000002600000000, -0.0000018400000000, 0.0000006100000000 ] - [ -0.0001138900000000, 0.0000267000000000, 0.0001597500000000 ] - [ -0.0000004200000000, -0.0000002500000000, 0.0001273800000000 ] - [ -0.0000012300000000, 0.0000021800000000, 0.0000002000000000 ] - [ 0.0000001400000000, -0.0000002000000000, -0.0001586100000000 ] - [ 0.0000001100000000, 0.0000001600000000, -0.0001264100000000 ] - [ 0.0000004200000000, 0.0000013700000000, 0.0000016900000000 ] - [ 0.0000000000000000, 0.0000003700000000, 0.0001590500000000 ] - [ -0.0001164600000000, -0.0000119700000000, 0.0001255900000000 ] - [ -0.0000002500000000, -0.0000007900000000, 0.0000015900000000 ] - [ 0.0000745300000000, -0.0000158100000000, -0.0001565800000000 ] - [ -0.0219019800000000, 0.0001624300000000, 0.0002733000000000 ] - [ 0.0432429200000000, -0.0105264900000000, 0.0000804300000000 ] - [ 0.0000001600000000, -0.0000006400000000, 0.0003492400000000 ] - [ -0.0000002300000000, 0.0000003900000000, -0.0003460900000000 ] - [ -0.1442087100000000, -0.0000262400000000, -0.0002889000000000 ] - [ 0.1251944900000000, 0.0499825000000000, -0.0000316600000000 ] - [ 0.0000166700000000, 0.0000025300000000, -0.0001198800000000 ] - [ 0.0004870300000000, 0.0003206100000000, -0.0002174200000000 ] - [ 0.0000042000000000, 0.0000018600000000, 0.0001268100000000 ] - [ -0.0000011000000000, 0.0000180300000000, -0.0001270600000000 ] - [ -0.0002091000000000, -0.0001280200000000, -0.0000704900000000 ] - [ -0.0000803400000000, 0.0001360600000000, 0.0000761900000000 ] - [ -0.0000019200000000, -0.0000002700000000, 0.0001263400000000 ] - [ -0.0003816600000000, 0.0001413900000000, 0.0002032500000000 ] - [ 0.0000035000000000, 0.0000019500000000, 0.0000018100000000 ] - [ -0.0000003900000000, -0.0000026700000000, 0.0000017800000000 ] - [ 0.0000042400000000, 0.0000004800000000, -0.0001209300000000 ] - [ 0.0000011100000000, 0.0000010400000000, -0.0001085800000000 ] - [ 0.0000281200000000, 0.0000050000000000, 0.0001230500000000 ] - [ -0.0000016400000000, 0.0000026100000000, -0.0001242900000000 ] - [ -0.0000005200000000, -0.0000004500000000, -0.0001076100000000 ] - [ -0.0000011300000000, -0.0000012600000000, 0.0001128500000000 ] - [ 0.0000013900000000, 0.0000286800000000, 0.0001321700000000 ] - [ 0.0000013600000000, 0.0000018900000000, 0.0001115000000000 ] - [ 0.0113541000000000, -0.0001997700000000, 0.0002822800000000 ] - [ -0.0012789200000000, -0.0020284900000000, -0.0036673600000000 ] - [ -0.0038864000000000, -0.0123636300000000, 0.0040106900000000 ] - [ -0.0137009500000000, -0.0060782900000000, 0.0000810600000000 ] - [ -0.0129676300000000, -0.0041554600000000, -0.0000839100000000 ] - [ -0.0001089300000000, -0.0001031000000000, 0.0003997800000000 ] - [ -0.0013263200000000, -0.0109130200000000, -0.0038547400000000 ] - [ -0.0004245600000000, 0.0001666600000000, 0.0007193800000000 ] - [ -0.0007266100000000, -0.0029028700000000, 0.0035675600000000 ] - [ 0.0000182100000000, -0.0000496600000000, 0.0000527300000000 ] - [ 0.0149102700000000, -0.0003987800000000, -0.0002342200000000 ] - [ 0.0000647500000000, 0.0000610100000000, 0.0000317700000000 ] - [ -0.0005749200000000, 0.0002636000000000, -0.0008510500000000 ] - [ -0.0001250400000000, 0.0001175500000000, -0.0001220200000000 ] - [ -0.0000334700000000, 0.0000008800000000, -0.0006340500000000 ] - [ -0.0000073700000000, -0.0000069200000000, -0.0000011800000000 ] - [ -0.0001233200000000, -0.0000853900000000, 0.0000683000000000 ] - [ 0.0001163500000000, 0.0001223800000000, 0.0001280000000000 ] - [ 0.0001039300000000, -0.0001296000000000, -0.0001364600000000 ] - [ -0.0000658900000000, 0.0000580400000000, -0.0000362100000000 ] - [ -0.0000672400000000, -0.0000538000000000, 0.0000382200000000 ] - [ -0.0000004500000000, -0.0000007300000000, -0.0000686400000000 ] - [ -0.0000026100000000, -0.0000030000000000, -0.0000016500000000 ] - [ 0.0003176600000000, 0.0002213600000000, -0.0004306000000000 ] - [ 0.0000638000000000, -0.0000588300000000, -0.0000360300000000 ] - [ -0.0000296800000000, -0.0004825300000000, -0.0005494100000000 ] - [ -0.0001154400000000, -0.0001221100000000, 0.0001292800000000 ] - [ -0.0000002900000000, -0.0000003100000000, -0.0000665900000000 ] - [ -0.0001881900000000, -0.0004410800000000, 0.0007603200000000 ] - [ 0.0003841700000000, 0.0003943800000000, 0.0005631900000000 ] - [ 0.0000015600000000, 0.0000000500000000, -0.0001038600000000 ] - [ 0.0000251900000000, 0.0000180200000000, -0.0000582900000000 ] - [ -0.0000184300000000, 0.0000252700000000, 0.0000580400000000 ] - [ -0.0000000300000000, -0.0000003800000000, 0.0001084700000000 ] - [ -0.0000003600000000, -0.0000003100000000, -0.0001130900000000 ] - [ -0.0000599100000000, -0.0000550300000000, -0.0001129600000000 ] - [ 0.0000174300000000, -0.0000232800000000, 0.0000572100000000 ] - [ 0.0000580300000000, -0.0000639900000000, -0.0000745000000000 ] - [ -0.0000251000000000, -0.0000183400000000, -0.0000588900000000 ] - [ -0.0000007700000000, -0.0000007700000000, 0.0000568800000000 ] - [ 0.0000015600000000, 0.0000001100000000, 0.0001044800000000 ] - [ 0.0000537700000000, 0.0000701600000000, 0.0000358300000000 ] - [ -0.0000575600000000, 0.0000633900000000, -0.0000746400000000 ] - [ -0.0001285400000000, 0.0001094800000000, -0.0001294800000000 ] - [ 0.0000607900000000, 0.0000548900000000, -0.0001130200000000 ] - [ -0.0000071000000000, -0.0000083100000000, -0.0000062900000000 ] - [ -0.0000005200000000, -0.0000009600000000, 0.0000705000000000 ] - [ 0.0001232100000000, 0.0001242600000000, 0.0001308800000000 ] - [ 0.0001253300000000, -0.0001121600000000, -0.0001297300000000 ] - [ -0.0000772000000000, 0.0000442900000000, -0.0000374600000000 ] - [ -0.0000524300000000, -0.0000692200000000, 0.0000342400000000 ] - [ -0.0001350700000000, -0.0001082800000000, -0.0000706000000000 ] - [ -0.0000084400000000, -0.0000099900000000, 0.0000051200000000 ] - [ -0.0000606600000000, -0.0000608600000000, 0.0000731300000000 ] - [ 0.0000517400000000, -0.0000716400000000, -0.0000357300000000 ] - [ 0.0000582300000000, -0.0000584200000000, 0.0001112300000000 ] - [ -0.0001075200000000, -0.0001192000000000, 0.0001254700000000 ] - [ 0.0000301800000000, -0.0001309700000000, -0.0000632900000000 ] - [ -0.0000564300000000, 0.0000565300000000, 0.0001113200000000 ] - [ 0.0000607700000000, 0.0000610400000000, 0.0000728900000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0047794700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046763500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017761700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019089700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047131500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045670900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044723600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048024200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045655600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0212784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0221324500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078162200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071249500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2568259500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0574368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0131792600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0621628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0127864400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0121963600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0178652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0174815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0129113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0617828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125357300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0124785900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0134333700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126633200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0124934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0127057800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0124419700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126941700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0513037600000000 ] - [ -0.0032613000000000, -0.0059910400000000, 0.0335517500000000 ] - [ -0.0055226500000000, 0.0036662100000000, 0.0335846000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0389407000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0384865300000000 ] - [ -0.0100693000000000, 0.0061708900000000, -0.0029609700000000 ] - [ 0.0055226500000000, -0.0036662100000000, 0.0335846000000000 ] - [ -0.0090914600000000, -0.0090101900000000, -0.0045505500000000 ] - [ 0.0032613000000000, 0.0059910400000000, 0.0335517500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0132802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0576832800000000 ] - [ 0.0002196900000000, -0.0001058900000000, -0.0035890400000000 ] - [ 0.0090914600000000, 0.0090101900000000, -0.0045505500000000 ] - [ -0.0000376700000000, 0.0001979800000000, -0.0037972000000000 ] - [ 0.0100693000000000, -0.0061708900000000, -0.0029609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097623700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073222300000000 ] - [ 0.0001025200000000, 0.0001377500000000, -0.0035042300000000 ] - [ 0.0000376700000000, -0.0001979800000000, -0.0037972000000000 ] - [ -0.0000769100000000, 0.0000383500000000, -0.0036853500000000 ] - [ -0.0002196900000000, 0.0001058900000000, -0.0035890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100598700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103227300000000 ] - [ 0.0088446700000000, -0.0091500300000000, -0.0043456700000000 ] - [ 0.0000769100000000, -0.0000383500000000, -0.0036853500000000 ] - [ 0.0062604400000000, 0.0098914000000000, -0.0027008100000000 ] - [ -0.0001025200000000, -0.0001377500000000, -0.0035042300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100093500000000 ] - [ -0.0062604400000000, -0.0098914000000000, -0.0027008100000000 ] - [ -0.0088446700000000, 0.0091500300000000, -0.0043456700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100799100000000 ] - [ 0.0006263700000000, 0.0006169300000000, -0.0036695300000000 ] - [ 0.0005854800000000, -0.0005765400000000, -0.0035576500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101003300000000 ] - [ 0.0002715200000000, 0.0002734300000000, -0.0039477300000000 ] - [ -0.0005854800000000, 0.0005765400000000, -0.0035576500000000 ] - [ 0.0003370200000000, -0.0003392300000000, -0.0034929800000000 ] - [ -0.0006263700000000, -0.0006169300000000, -0.0036695300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098763500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098836000000000 ] - [ 0.0000798200000000, 0.0000497300000000, -0.0036156500000000 ] - [ -0.0003370200000000, 0.0003392300000000, -0.0034929800000000 ] - [ -0.0001039100000000, 0.0001314800000000, -0.0037636500000000 ] - [ -0.0002715200000000, -0.0002734300000000, -0.0039477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103272100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099265400000000 ] - [ 0.0000396600000000, 0.0002002800000000, -0.0035354200000000 ] - [ 0.0001039100000000, -0.0001314800000000, -0.0037636500000000 ] - [ -0.0002282700000000, -0.0000973300000000, -0.0036570600000000 ] - [ -0.0000798200000000, -0.0000497300000000, -0.0036156500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074622100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097599000000000 ] - [ 0.0002248900000000, 0.0002173500000000, -0.0033473000000000 ] - [ 0.0002282700000000, 0.0000973300000000, -0.0036570600000000 ] - [ 0.0003941600000000, -0.0003873700000000, -0.0037282800000000 ] - [ -0.0000396600000000, -0.0002002800000000, -0.0035354200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0134526900000000 ] - [ -0.0003941600000000, 0.0003873700000000, -0.0037282800000000 ] - [ -0.0002248900000000, -0.0002173500000000, -0.0033473000000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000900000000, -0.0000007500000000, -0.0000667700000000 ] - [ 0.0000521300000000, -0.0000177700000000, 0.0000664200000000 ] - [ -0.0000002200000000, 0.0000002800000000, -0.0000671400000000 ] - [ 0.0000007500000000, 0.0000002000000000, 0.0000672200000000 ] - [ -0.0154864600000000, 0.0010608900000000, -0.0001766800000000 ] - [ 0.0310138700000000, -0.0030924300000000, 0.0002718600000000 ] - [ 0.0313925000000000, -0.0029465900000000, -0.0001188000000000 ] - [ 0.0001109300000000, -0.0000232700000000, 0.0001272100000000 ] - [ -0.0156089100000000, 0.0010003600000000, 0.0000502300000000 ] - [ -0.0001196500000000, 0.0000137700000000, -0.0001580900000000 ] - [ 0.0000001800000000, 0.0000003000000000, -0.0001266800000000 ] - [ 0.0000005000000000, 0.0000010200000000, 0.0000008600000000 ] - [ 0.0000000700000000, 0.0000002300000000, 0.0001580300000000 ] - [ 0.0000007500000000, -0.0000001500000000, 0.0001239900000000 ] - [ 0.0000004400000000, -0.0000005000000000, 0.0000006000000000 ] - [ 0.0000003600000000, 0.0000000900000000, -0.0001585700000000 ] - [ -0.0000003100000000, 0.0000043800000000, 0.0003481600000000 ] - [ -0.0001944100000000, 0.0000032400000000, -0.0003494400000000 ] - [ -0.0000001000000000, -0.0000021800000000, 0.0003475800000000 ] - [ -0.0000001200000000, 0.0000000600000000, -0.0003471100000000 ] - [ 0.0000136600000000, -0.0000073200000000, 0.0000012200000000 ] - [ 0.0000039600000000, 0.0000195700000000, -0.0000012100000000 ] - [ -0.1847262300000000, -0.0001840000000000, -0.0001269400000000 ] - [ 0.0003975900000000, 0.0003216200000000, -0.0000312000000000 ] - [ -0.0003191200000000, 0.0000019100000000, 0.0001464700000000 ] - [ 0.1516890300000000, 0.0323098000000000, -0.0001278000000000 ] - [ -0.0002947600000000, -0.0000603100000000, -0.0001314500000000 ] - [ 0.0000053900000000, 0.0000015300000000, 0.0001140000000000 ] - [ 0.0005287200000000, 0.0002478000000000, 0.0000433200000000 ] - [ -0.0000022900000000, -0.0000006400000000, 0.0001073800000000 ] - [ 0.0000060000000000, 0.0000020200000000, -0.0000003400000000 ] - [ -0.0000022900000000, -0.0000005500000000, -0.0000008100000000 ] - [ 0.0000033100000000, -0.0000001700000000, -0.0001228800000000 ] - [ 0.0000012300000000, 0.0000010800000000, -0.0001105100000000 ] - [ -0.0000011300000000, -0.0000030400000000, 0.0001268100000000 ] - [ -0.0000013200000000, -0.0000002400000000, -0.0001262800000000 ] - [ -0.0000008400000000, -0.0000006000000000, -0.0001089400000000 ] - [ 0.0000213600000000, -0.0000040300000000, 0.0001141100000000 ] - [ 0.0000010800000000, 0.0000036400000000, 0.0001234800000000 ] - [ 0.0000053500000000, 0.0000266800000000, 0.0001046700000000 ] - [ -0.0000040400000000, -0.0000036800000000, -0.0000867800000000 ] - [ 0.0000292500000000, 0.0000163200000000, -0.0000523900000000 ] - [ -0.0000166900000000, 0.0000182200000000, 0.0000497600000000 ] - [ -0.0001591500000000, -0.0000339700000000, 0.0001082700000000 ] - [ -0.0000101000000000, -0.0000069300000000, -0.0001216300000000 ] - [ -0.0000018100000000, 0.0000311400000000, -0.0006958500000000 ] - [ 0.0000063000000000, -0.0000451000000000, 0.0000662500000000 ] - [ -0.0000934900000000, -0.0002557300000000, -0.0007980000000000 ] - [ -0.0000325100000000, -0.0000071800000000, -0.0000657500000000 ] - [ 0.0152425600000000, -0.0003743000000000, 0.0003216000000000 ] - [ 0.0000328900000000, -0.0001210200000000, 0.0001141300000000 ] - [ -0.0020041800000000, -0.0066599900000000, 0.0001162800000000 ] - [ -0.0002264300000000, -0.0001542800000000, 0.0006434900000000 ] - [ 0.0008057600000000, -0.0044212400000000, -0.0002620600000000 ] - [ 0.0000980100000000, 0.0001372300000000, 0.0004751500000000 ] - [ -0.0145794100000000, -0.0028318400000000, -0.0000026200000000 ] - [ -0.0145347000000000, -0.0025346300000000, 0.0000697500000000 ] - [ 0.0001382000000000, 0.0002361200000000, 0.0007265600000000 ] - [ 0.0034002000000000, -0.0028397200000000, 0.0000150200000000 ] - [ -0.0002325500000000, -0.0000747400000000, 0.0007249800000000 ] - [ -0.0010868600000000, -0.0081220000000000, -0.0000424500000000 ] - [ 0.0000013000000000, -0.0000742700000000, -0.0000761800000000 ] - [ 0.0151720400000000, -0.0002494200000000, -0.0002646400000000 ] - [ -0.0000481600000000, -0.0000719800000000, 0.0000741300000000 ] - [ -0.0001218500000000, -0.0002189100000000, -0.0007892400000000 ] - [ 0.0000665200000000, -0.0000445500000000, 0.0001125500000000 ] - [ -0.0001221200000000, 0.0000003700000000, -0.0004664300000000 ] - [ -0.0001540200000000, -0.0000678200000000, -0.0000563800000000 ] - [ -0.0000696300000000, 0.0000453900000000, 0.0001122500000000 ] - [ 0.0000487200000000, 0.0000720300000000, 0.0000727800000000 ] - [ -0.0000114000000000, -0.0000082200000000, -0.0001068600000000 ] - [ 0.0000268300000000, 0.0000172000000000, -0.0000589200000000 ] - [ -0.0000181200000000, 0.0000261400000000, 0.0000593600000000 ] - [ -0.0000001000000000, -0.0000008400000000, 0.0001140000000000 ] - [ -0.0000060800000000, -0.0000042200000000, -0.0001126800000000 ] - [ -0.0000595400000000, -0.0000555900000000, -0.0001123300000000 ] - [ 0.0000152800000000, -0.0000257700000000, 0.0000583700000000 ] - [ 0.0000591300000000, -0.0000639800000000, -0.0000734100000000 ] - [ -0.0000262800000000, -0.0000163000000000, -0.0000578600000000 ] - [ 0.0000001700000000, -0.0000002400000000, 0.0000561000000000 ] - [ -0.0000010600000000, -0.0000003800000000, 0.0001091100000000 ] - [ 0.0000530700000000, 0.0000705900000000, 0.0000356300000000 ] - [ -0.0000585200000000, 0.0000634200000000, -0.0000736700000000 ] - [ -0.0001279800000000, 0.0001102500000000, -0.0001290900000000 ] - [ 0.0000603600000000, 0.0000553600000000, -0.0001122100000000 ] - [ -0.0000002200000000, -0.0000001900000000, -0.0000108300000000 ] - [ -0.0000000800000000, 0.0000000300000000, 0.0000711300000000 ] - [ 0.0001103400000000, 0.0001279700000000, 0.0001291800000000 ] - [ 0.0001272400000000, -0.0001102700000000, -0.0001291200000000 ] - [ -0.0000691500000000, 0.0000518600000000, -0.0000354900000000 ] - [ -0.0000521600000000, -0.0000697900000000, 0.0000356800000000 ] - [ -0.0000004100000000, -0.0000000200000000, -0.0000679200000000 ] - [ 0.0000002200000000, 0.0000001700000000, 0.0000121700000000 ] - [ -0.0000637600000000, -0.0000529300000000, 0.0000701700000000 ] - [ 0.0000704800000000, -0.0000534700000000, -0.0000353300000000 ] - [ 0.0000474600000000, -0.0000681800000000, 0.0001177500000000 ] - [ -0.0001095900000000, -0.0001268900000000, 0.0001293500000000 ] - [ -0.0000007400000000, -0.0000009400000000, -0.0000731700000000 ] - [ -0.0000632500000000, 0.0000498000000000, 0.0001062100000000 ] - [ 0.0000626700000000, 0.0000659600000000, 0.0000761700000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000005900000000, 0.0000000400000000, -0.0000668000000000 ] - [ -0.0000029300000000, -0.0000544000000000, 0.0000662900000000 ] - [ 0.0000005100000000, -0.0000001100000000, -0.0000672400000000 ] - [ 0.0000000600000000, 0.0000005900000000, 0.0000672700000000 ] - [ 0.0029680500000000, 0.0309528700000000, -0.0003989600000000 ] - [ -0.0009150300000000, -0.0155887600000000, 0.0000507800000000 ] - [ -0.0010098400000000, -0.0155806000000000, 0.0001069800000000 ] - [ -0.0000099100000000, -0.0001208200000000, 0.0001272800000000 ] - [ 0.0029499500000000, 0.0310257400000000, 0.0002713100000000 ] - [ 0.0000212100000000, 0.0001108100000000, -0.0001577200000000 ] - [ -0.0000002000000000, 0.0000004900000000, -0.0001269500000000 ] - [ 0.0000004400000000, 0.0000012100000000, 0.0000008700000000 ] - [ 0.0000000800000000, 0.0000005900000000, 0.0001573700000000 ] - [ 0.0000005700000000, 0.0000000300000000, 0.0001240500000000 ] - [ 0.0000001300000000, -0.0000002800000000, 0.0000006200000000 ] - [ 0.0000002500000000, 0.0000002700000000, -0.0001584400000000 ] - [ 0.0000003300000000, 0.0000011700000000, 0.0003486300000000 ] - [ 0.0000471000000000, 0.0001800700000000, -0.0003498900000000 ] - [ -0.0000018900000000, -0.0000008200000000, 0.0003473400000000 ] - [ -0.0000003500000000, 0.0000007700000000, -0.0003472800000000 ] - [ -0.0000020100000000, 0.0000303800000000, 0.0000014700000000 ] - [ -0.0000220400000000, -0.0000008100000000, -0.0000017700000000 ] - [ -0.0001478200000000, -0.1842529500000000, -0.0001207600000000 ] - [ -0.0002010300000000, 0.0003357500000000, -0.0000333100000000 ] - [ 0.0000012700000000, -0.0003187700000000, 0.0001471400000000 ] - [ -0.0320055200000000, 0.1516881100000000, -0.0001211000000000 ] - [ -0.0000720100000000, -0.0002427800000000, -0.0001308400000000 ] - [ 0.0000030000000000, 0.0000042500000000, 0.0001141300000000 ] - [ -0.0002507200000000, 0.0005110100000000, 0.0000424600000000 ] - [ -0.0000047200000000, -0.0000027800000000, 0.0001070900000000 ] - [ 0.0000036300000000, 0.0000046700000000, -0.0000000500000000 ] - [ -0.0000036300000000, -0.0000036900000000, -0.0000012800000000 ] - [ 0.0000013100000000, 0.0000014700000000, -0.0001233600000000 ] - [ 0.0000008800000000, 0.0000007300000000, -0.0001107000000000 ] - [ -0.0000013300000000, -0.0000025600000000, 0.0001262300000000 ] - [ -0.0000013200000000, 0.0000002600000000, -0.0001267500000000 ] - [ -0.0000010700000000, -0.0000000200000000, -0.0001089900000000 ] - [ -0.0000023400000000, 0.0000156700000000, 0.0001131400000000 ] - [ 0.0000005100000000, 0.0000034100000000, 0.0001234500000000 ] - [ -0.0000165800000000, 0.0000060200000000, 0.0001041700000000 ] - [ 0.0000047000000000, -0.0000053000000000, -0.0000837700000000 ] - [ 0.0000374000000000, -0.0000015400000000, -0.0000561000000000 ] - [ -0.0000104400000000, 0.0000317000000000, 0.0000599500000000 ] - [ 0.0000849800000000, -0.0001722900000000, 0.0001084000000000 ] - [ 0.0000080400000000, -0.0000096400000000, -0.0001234700000000 ] - [ 0.0000726300000000, -0.0002424200000000, 0.0006252500000000 ] - [ 0.0000106300000000, -0.0000330600000000, 0.0000570700000000 ] - [ -0.0000047600000000, -0.0000382100000000, -0.0006466300000000 ] - [ -0.0000258000000000, -0.0000225700000000, -0.0000626000000000 ] - [ 0.0002749800000000, 0.0154075200000000, 0.0003233600000000 ] - [ 0.0000736400000000, 0.0000338700000000, 0.0001126300000000 ] - [ 0.0027849700000000, 0.0033372400000000, -0.0000585500000000 ] - [ -0.0001240700000000, 0.0000645600000000, 0.0005013000000000 ] - [ 0.0065425300000000, -0.0020401000000000, -0.0002552400000000 ] - [ 0.0001720800000000, -0.0001282900000000, -0.0008534200000000 ] - [ 0.0026159300000000, -0.0145485800000000, -0.0000057300000000 ] - [ 0.0029099700000000, -0.0145932500000000, 0.0000675100000000 ] - [ 0.0002863400000000, -0.0000770300000000, -0.0006086000000000 ] - [ 0.0081210000000000, -0.0012329700000000, -0.0000011900000000 ] - [ -0.0001788700000000, 0.0000804900000000, 0.0005680000000000 ] - [ 0.0044783300000000, 0.0008520400000000, 0.0001243700000000 ] - [ 0.0000912200000000, 0.0000130800000000, -0.0000754600000000 ] - [ 0.0003838100000000, 0.0151752000000000, -0.0002615800000000 ] - [ -0.0000450400000000, -0.0000754000000000, 0.0000732500000000 ] - [ -0.0000525600000000, -0.0000587500000000, -0.0006383900000000 ] - [ 0.0000693600000000, -0.0000412000000000, 0.0001133800000000 ] - [ 0.0000305600000000, -0.0003067600000000, 0.0008759700000000 ] - [ 0.0000517000000000, -0.0001526100000000, -0.0000558400000000 ] - [ -0.0000712900000000, 0.0000442000000000, 0.0001114600000000 ] - [ 0.0000474700000000, 0.0000731700000000, 0.0000732900000000 ] - [ 0.0000069000000000, -0.0000100700000000, -0.0001081900000000 ] - [ 0.0000248800000000, 0.0000187700000000, -0.0000582100000000 ] - [ -0.0000203500000000, 0.0000245900000000, 0.0000587100000000 ] - [ 0.0000008800000000, -0.0000004900000000, 0.0001127700000000 ] - [ 0.0000043400000000, -0.0000045900000000, -0.0001130800000000 ] - [ -0.0000591200000000, -0.0000556500000000, -0.0001120400000000 ] - [ 0.0000186900000000, -0.0000221700000000, 0.0000593500000000 ] - [ 0.0000590300000000, -0.0000635400000000, -0.0000730700000000 ] - [ -0.0000228500000000, -0.0000205200000000, -0.0000588600000000 ] - [ 0.0000001500000000, -0.0000001500000000, 0.0000574000000000 ] - [ 0.0000002500000000, -0.0000007500000000, 0.0001120500000000 ] - [ 0.0000550900000000, 0.0000685200000000, 0.0000356100000000 ] - [ -0.0000587400000000, 0.0000635100000000, -0.0000731900000000 ] - [ -0.0001260000000000, 0.0001128900000000, -0.0001290300000000 ] - [ 0.0000599200000000, 0.0000556400000000, -0.0001120300000000 ] - [ -0.0000000400000000, -0.0000002700000000, -0.0000069100000000 ] - [ 0.0000000400000000, -0.0000000100000000, 0.0000694000000000 ] - [ 0.0001129100000000, 0.0001255000000000, 0.0001291800000000 ] - [ 0.0001250600000000, -0.0001124500000000, -0.0001290000000000 ] - [ -0.0000669800000000, 0.0000546300000000, -0.0000352600000000 ] - [ -0.0000547200000000, -0.0000678200000000, 0.0000355300000000 ] - [ 0.0000007500000000, -0.0000004400000000, -0.0000640300000000 ] - [ 0.0000002000000000, 0.0000003100000000, 0.0000099600000000 ] - [ -0.0000491200000000, -0.0000728500000000, 0.0000686200000000 ] - [ 0.0000679800000000, -0.0000555700000000, -0.0000352400000000 ] - [ 0.0000552000000000, -0.0000576800000000, 0.0001095200000000 ] - [ -0.0001121500000000, -0.0001244000000000, 0.0001294500000000 ] - [ 0.0000003500000000, -0.0000006000000000, -0.0000757900000000 ] - [ -0.0000603600000000, 0.0000549700000000, 0.0001141800000000 ] - [ 0.0000719900000000, 0.0000513700000000, 0.0000777100000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0018011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018012900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018005300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019355500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096543200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045271400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048635600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046438900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045458400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079236500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067903500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079208900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0133114200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0123129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2097629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0554843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0146579300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0561831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0148804700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0128331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0563898200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0129527200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126626100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0127861500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0127867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126587600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0130434700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0127854600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126738000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0132922800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0130256600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126771800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105412600000000 ] - [ 0.0004889500000000, 0.0007709900000000, -0.0037370000000000 ] - [ 0.0004961800000000, -0.0006417200000000, -0.0036062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073242700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099638000000000 ] - [ 0.0076125800000000, -0.0055088400000000, -0.0039591300000000 ] - [ -0.0004961800000000, 0.0006417200000000, -0.0036062600000000 ] - [ 0.0075990500000000, 0.0083409500000000, -0.0036175500000000 ] - [ -0.0004889500000000, -0.0007709900000000, -0.0037370000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335675300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0135781100000000 ] - [ 0.0003073700000000, -0.0003188000000000, 0.0307996900000000 ] - [ -0.0075990500000000, -0.0083409500000000, -0.0036175500000000 ] - [ -0.0002425200000000, 0.0000183700000000, 0.0307328100000000 ] - [ -0.0076125800000000, 0.0055088400000000, -0.0039591300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0354840100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0344601600000000 ] - [ -0.0082697500000000, 0.0073612000000000, -0.0037569500000000 ] - [ 0.0002425200000000, -0.0000183700000000, 0.0307328100000000 ] - [ -0.0072697300000000, -0.0082790300000000, -0.0039582900000000 ] - [ -0.0003073700000000, 0.0003188000000000, 0.0307996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130876800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0389727700000000 ] - [ 0.0002478500000000, 0.0002015300000000, -0.0033985000000000 ] - [ 0.0072697300000000, 0.0082790300000000, -0.0039582900000000 ] - [ 0.0004154000000000, -0.0003710600000000, -0.0037836600000000 ] - [ 0.0082697500000000, -0.0073612000000000, -0.0037569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080271600000000 ] - [ -0.0004154000000000, 0.0003710600000000, -0.0037836600000000 ] - [ -0.0002478500000000, -0.0002015300000000, -0.0033985000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099797500000000 ] - [ 0.0006193200000000, 0.0006438600000000, -0.0037264500000000 ] - [ 0.0005772500000000, -0.0005999600000000, -0.0036114200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100549400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105332300000000 ] - [ 0.0002790200000000, 0.0002782300000000, -0.0040081800000000 ] - [ -0.0005772500000000, 0.0005999600000000, -0.0036114200000000 ] - [ 0.0003438100000000, -0.0003429800000000, -0.0035461300000000 ] - [ -0.0006193200000000, -0.0006438600000000, -0.0037264500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100522000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100025100000000 ] - [ 0.0000604100000000, 0.0000696700000000, -0.0036681300000000 ] - [ -0.0003438100000000, 0.0003429800000000, -0.0035461300000000 ] - [ -0.0001225100000000, 0.0001138600000000, -0.0038186300000000 ] - [ -0.0002790200000000, -0.0002782300000000, -0.0040081800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100504700000000 ] - [ 0.0001119600000000, 0.0001278800000000, -0.0035612500000000 ] - [ 0.0001225100000000, -0.0001138600000000, -0.0038186300000000 ] - [ -0.0000661800000000, 0.0000505100000000, -0.0037399200000000 ] - [ -0.0000604100000000, -0.0000696700000000, -0.0036681300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101562700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101678400000000 ] - [ 0.0003076000000000, 0.0001295300000000, -0.0034067400000000 ] - [ 0.0000661800000000, -0.0000505100000000, -0.0037399200000000 ] - [ 0.0004626500000000, -0.0003369000000000, -0.0037837600000000 ] - [ -0.0001119600000000, -0.0001278800000000, -0.0035612500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102160400000000 ] - [ -0.0004626500000000, 0.0003369000000000, -0.0037837600000000 ] - [ -0.0003076000000000, -0.0001295300000000, -0.0034067400000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0019342800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019330300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0094117400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095726300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042377500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045671500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046459600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045466000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045291400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046428200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048635000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0075095700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072237100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079275800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0132979500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0123252600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2093809300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0562098700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147271900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0559374600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0148487400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0126066100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0556322400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127344200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0126616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127870100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130324200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0128798500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127918300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0128921800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130749000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127791000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0124565500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103529400000000 ] - [ -0.0004343300000000, -0.0007419400000000, 0.0036241100000000 ] - [ -0.0005275300000000, 0.0006991600000000, 0.0037256300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0075267700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097369200000000 ] - [ -0.0077866900000000, 0.0054379000000000, 0.0037814600000000 ] - [ 0.0005275300000000, -0.0006991600000000, 0.0037256300000000 ] - [ -0.0075331100000000, -0.0085165400000000, 0.0035103900000000 ] - [ 0.0004343300000000, 0.0007419400000000, 0.0036241100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0385620300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0137479000000000 ] - [ 0.0002979500000000, -0.0001467000000000, -0.0307113900000000 ] - [ 0.0075331100000000, 0.0085165400000000, 0.0035103900000000 ] - [ 0.0005984600000000, 0.0007055300000000, -0.0310077900000000 ] - [ 0.0077866900000000, -0.0054379000000000, 0.0037814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0352253200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0345820100000000 ] - [ 0.0084482200000000, -0.0070682400000000, 0.0039701400000000 ] - [ -0.0005984600000000, -0.0007055300000000, -0.0310077900000000 ] - [ 0.0070903000000000, 0.0083410100000000, 0.0038396400000000 ] - [ -0.0002979500000000, 0.0001467000000000, -0.0307113900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0129908900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0337997300000000 ] - [ -0.0003522000000000, -0.0003347800000000, 0.0035476600000000 ] - [ -0.0070903000000000, -0.0083410100000000, 0.0038396400000000 ] - [ -0.0002852700000000, 0.0002719900000000, 0.0040094800000000 ] - [ -0.0084482200000000, 0.0070682400000000, 0.0039701400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079070800000000 ] - [ 0.0002852700000000, -0.0002719900000000, 0.0040094800000000 ] - [ 0.0003522000000000, 0.0003347800000000, 0.0035476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097748400000000 ] - [ -0.0005687600000000, -0.0006073800000000, 0.0036122200000000 ] - [ -0.0006134200000000, 0.0006493100000000, 0.0037278800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102768900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103164100000000 ] - [ -0.0003967900000000, -0.0003909700000000, 0.0037846300000000 ] - [ 0.0006134200000000, -0.0006493100000000, 0.0037278800000000 ] - [ -0.0002270100000000, 0.0002207300000000, 0.0033989100000000 ] - [ 0.0005687600000000, 0.0006073800000000, 0.0036122200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102169800000000 ] - [ 0.0000521300000000, 0.0000643400000000, 0.0037412000000000 ] - [ 0.0002270100000000, -0.0002207300000000, 0.0033989100000000 ] - [ -0.0001258800000000, 0.0001137000000000, 0.0035624900000000 ] - [ 0.0003967900000000, 0.0003909700000000, 0.0037846300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101758700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101930200000000 ] - [ 0.0001137800000000, 0.0001217600000000, 0.0038201600000000 ] - [ 0.0001258800000000, -0.0001137000000000, 0.0035624900000000 ] - [ -0.0000686300000000, 0.0000607700000000, 0.0036696700000000 ] - [ -0.0000521300000000, -0.0000643400000000, 0.0037412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100253500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101824600000000 ] - [ -0.0004255700000000, -0.0002500400000000, 0.0035541500000000 ] - [ 0.0000686300000000, -0.0000607700000000, 0.0036696700000000 ] - [ -0.0003474100000000, 0.0002230800000000, 0.0040071100000000 ] - [ -0.0001137800000000, -0.0001217600000000, 0.0038201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100762800000000 ] - [ 0.0003474100000000, -0.0002230800000000, 0.0040071100000000 ] - [ 0.0004255700000000, 0.0002500400000000, 0.0035541500000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000544200000000, -0.0000023700000000, -0.0000666900000000 ] - [ -0.0067934800000000, -0.0004639500000000, 0.0000334800000000 ] - [ 0.0000003500000000, -0.0000002600000000, -0.0000667200000000 ] - [ 0.0000002000000000, 0.0000001300000000, 0.0000674000000000 ] - [ -0.0144431100000000, -0.0005703300000000, -0.0000836900000000 ] - [ -0.0001146300000000, -0.0000054500000000, 0.0000012100000000 ] - [ 0.0291654600000000, 0.0029591100000000, 0.0004325400000000 ] - [ -0.0000005000000000, -0.0000016100000000, 0.0001269100000000 ] - [ 0.0000977600000000, 0.0000253400000000, 0.0000006100000000 ] - [ -0.0000003100000000, 0.0000009800000000, -0.0001587900000000 ] - [ 0.0000000300000000, 0.0000001800000000, -0.0001257500000000 ] - [ 0.0000004600000000, 0.0000012400000000, 0.0000015700000000 ] - [ 0.0000002500000000, 0.0000006200000000, 0.0001588100000000 ] - [ 0.0000011300000000, 0.0000014500000000, 0.0001256200000000 ] - [ 0.0000002800000000, -0.0000005800000000, 0.0000013000000000 ] - [ -0.0000003500000000, -0.0000021500000000, -0.0001578500000000 ] - [ 0.0002026400000000, 0.0000824700000000, 0.0003490700000000 ] - [ 0.0445452800000000, 0.0072610900000000, -0.0007853700000000 ] - [ 0.0000007700000000, -0.0000006800000000, 0.0003488400000000 ] - [ -0.0000002200000000, 0.0000003200000000, -0.0003461900000000 ] - [ 0.0004813700000000, -0.0001418200000000, 0.0001152400000000 ] - [ -0.0000789400000000, -0.0001300600000000, -0.0000464000000000 ] - [ 0.0003942300000000, -0.0002032900000000, -0.0002129500000000 ] - [ -0.1758130700000000, -0.0011326500000000, 0.0000160700000000 ] - [ 0.0000051600000000, -0.0000230000000000, 0.0001216000000000 ] - [ -0.0002441900000000, -0.0000626400000000, -0.0000926300000000 ] - [ 0.1388263300000000, -0.0273237500000000, -0.0001011200000000 ] - [ 0.0000062200000000, -0.0000195500000000, 0.0001195100000000 ] - [ 0.0000220500000000, -0.0000018700000000, 0.0001300800000000 ] - [ 0.0000219400000000, -0.0000021700000000, 0.0001077500000000 ] - [ 0.0000028400000000, 0.0000025300000000, 0.0000021700000000 ] - [ -0.0000010600000000, -0.0000036500000000, 0.0000016200000000 ] - [ 0.0000020200000000, 0.0000000700000000, -0.0001204600000000 ] - [ 0.0000021200000000, 0.0000011300000000, -0.0001087100000000 ] - [ -0.0000022900000000, -0.0000048300000000, 0.0001284500000000 ] - [ -0.0000013500000000, -0.0000007800000000, -0.0001238500000000 ] - [ -0.0000003500000000, -0.0000011300000000, -0.0001077300000000 ] - [ -0.0000022300000000, -0.0000037300000000, 0.0001130900000000 ] - [ 0.0000037700000000, 0.0000030300000000, 0.0001256000000000 ] - [ 0.0000040800000000, 0.0000022700000000, 0.0001110900000000 ] - [ 0.0000390600000000, 0.0000481400000000, -0.0000837800000000 ] - [ -0.0004360100000000, -0.0000911900000000, 0.0005749500000000 ] - [ -0.0001571900000000, 0.0002606000000000, 0.0008878400000000 ] - [ -0.0151731400000000, 0.0036149700000000, 0.0001404800000000 ] - [ -0.0001753900000000, 0.0000888000000000, -0.0001222200000000 ] - [ -0.0004783500000000, 0.0026787900000000, 0.0021174500000000 ] - [ -0.0000812000000000, 0.0002001700000000, -0.0007605500000000 ] - [ -0.0056641200000000, 0.0034583100000000, -0.0009824100000000 ] - [ -0.0004630500000000, -0.0001521900000000, -0.0007100700000000 ] - [ 0.0142612000000000, 0.0004740300000000, -0.0002063900000000 ] - [ 0.0154653400000000, 0.0003006900000000, 0.0004133300000000 ] - [ -0.0001761800000000, 0.0001914400000000, -0.0005920600000000 ] - [ -0.0068149100000000, 0.0023244500000000, 0.0008302900000000 ] - [ -0.0000842800000000, -0.0000309000000000, -0.0006885900000000 ] - [ -0.0028338500000000, 0.0043891700000000, -0.0023796700000000 ] - [ -0.0001467800000000, 0.0000618900000000, 0.0000021300000000 ] - [ -0.0131308200000000, 0.0020015400000000, 0.0000460800000000 ] - [ 0.0001021400000000, 0.0001350400000000, 0.0001238300000000 ] - [ 0.0001780600000000, -0.0002646000000000, 0.0004288800000000 ] - [ -0.0000644300000000, 0.0000533800000000, -0.0000329900000000 ] - [ -0.0002757500000000, 0.0000371200000000, 0.0006744900000000 ] - [ -0.0000060500000000, 0.0000060500000000, -0.0000705500000000 ] - [ 0.0000002000000000, 0.0001192900000000, -0.0000096400000000 ] - [ -0.0000661200000000, -0.0000684000000000, 0.0000792100000000 ] - [ 0.0000684100000000, -0.0000601100000000, -0.0000390100000000 ] - [ 0.0000646400000000, -0.0000476700000000, 0.0001128100000000 ] - [ -0.0001261700000000, -0.0001127600000000, 0.0001342500000000 ] - [ -0.0000090400000000, 0.0000074800000000, -0.0000652500000000 ] - [ -0.0000719800000000, 0.0000440800000000, 0.0001108300000000 ] - [ 0.0000312200000000, 0.0000749400000000, 0.0000661300000000 ] - [ -0.0000007400000000, 0.0000005400000000, -0.0001064500000000 ] - [ 0.0000252000000000, 0.0000177000000000, -0.0000585000000000 ] - [ -0.0000181700000000, 0.0000258500000000, 0.0000582400000000 ] - [ 0.0000000300000000, -0.0000003500000000, 0.0001092000000000 ] - [ -0.0000006600000000, 0.0000005900000000, -0.0001132800000000 ] - [ -0.0000597100000000, -0.0000550200000000, -0.0001131200000000 ] - [ 0.0000168300000000, -0.0000232000000000, 0.0000570700000000 ] - [ 0.0000587000000000, -0.0000640500000000, -0.0000743100000000 ] - [ -0.0000253200000000, -0.0000178700000000, -0.0000591400000000 ] - [ 0.0000000800000000, -0.0000000300000000, 0.0000566400000000 ] - [ 0.0000014600000000, 0.0000002300000000, 0.0001093900000000 ] - [ 0.0000539800000000, 0.0000693400000000, 0.0000348900000000 ] - [ -0.0000580200000000, 0.0000635400000000, -0.0000744800000000 ] - [ -0.0001266400000000, 0.0001115600000000, -0.0001297200000000 ] - [ 0.0000609000000000, 0.0000552000000000, -0.0001130700000000 ] - [ -0.0000004400000000, 0.0000004200000000, -0.0000124100000000 ] - [ -0.0000000800000000, 0.0000000300000000, 0.0000697200000000 ] - [ 0.0001080200000000, 0.0001307200000000, 0.0001278500000000 ] - [ 0.0001259600000000, -0.0001113300000000, -0.0001296900000000 ] - [ -0.0000709000000000, 0.0000497500000000, -0.0000368300000000 ] - [ -0.0000533700000000, -0.0000686500000000, 0.0000348500000000 ] - [ -0.0000084800000000, 0.0000068100000000, -0.0000698700000000 ] - [ -0.0000004800000000, 0.0000007500000000, 0.0000098600000000 ] - [ -0.0000623700000000, -0.0000594300000000, 0.0000730600000000 ] - [ 0.0000725500000000, -0.0000515800000000, -0.0000354300000000 ] - [ 0.0000585400000000, -0.0000589000000000, 0.0001118700000000 ] - [ -0.0001086900000000, -0.0001280000000000, 0.0001287300000000 ] - [ -0.0000037500000000, 0.0000046900000000, -0.0000729300000000 ] - [ -0.0000562200000000, 0.0000564300000000, 0.0001106700000000 ] - [ 0.0000600900000000, 0.0000620800000000, 0.0000726500000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000258100000000, 0.0000461800000000, -0.0000660700000000 ] - [ -0.0015144400000000, 0.0132569200000000, -0.0000558000000000 ] - [ 0.0000000400000000, 0.0000005200000000, -0.0000666800000000 ] - [ 0.0000000200000000, 0.0000006400000000, 0.0000677600000000 ] - [ -0.0047035600000000, 0.0305198500000000, 0.0001464700000000 ] - [ -0.0000351800000000, 0.0001003500000000, 0.0000016400000000 ] - [ 0.0017747300000000, -0.0145252500000000, 0.0002009400000000 ] - [ -0.0000012200000000, -0.0000005600000000, 0.0001272400000000 ] - [ 0.0000249600000000, -0.0001087800000000, 0.0000011300000000 ] - [ 0.0000011800000000, -0.0000005600000000, -0.0001581000000000 ] - [ -0.0000000300000000, 0.0000003600000000, -0.0001246900000000 ] - [ 0.0000005100000000, 0.0000011500000000, 0.0000020900000000 ] - [ -0.0000002000000000, 0.0000007000000000, 0.0001591900000000 ] - [ 0.0000010500000000, -0.0000006700000000, 0.0001253800000000 ] - [ 0.0000002000000000, -0.0000003100000000, 0.0000018000000000 ] - [ 0.0000000700000000, -0.0000000600000000, -0.0001572200000000 ] - [ 0.0000091100000000, -0.0001868900000000, 0.0003501300000000 ] - [ 0.0014208400000000, -0.0238349500000000, -0.0004389800000000 ] - [ 0.0000000100000000, -0.0000004800000000, 0.0003499200000000 ] - [ -0.0000003500000000, 0.0000002400000000, -0.0003449100000000 ] - [ 0.0003186100000000, -0.0003798200000000, 0.0000888200000000 ] - [ -0.0001312400000000, -0.0002059800000000, -0.0000323700000000 ] - [ 0.0003229100000000, 0.0003378000000000, -0.0002021800000000 ] - [ -0.0011777400000000, -0.1555134200000000, -0.0002889800000000 ] - [ 0.0000199500000000, 0.0000056200000000, 0.0001234800000000 ] - [ -0.0000693700000000, -0.0002928100000000, -0.0001006200000000 ] - [ 0.0552445000000000, 0.1388313400000000, -0.0001304900000000 ] - [ 0.0000235400000000, 0.0000017500000000, 0.0001228500000000 ] - [ 0.0000012300000000, 0.0000152900000000, 0.0001313000000000 ] - [ -0.0000017100000000, 0.0000214900000000, 0.0001066700000000 ] - [ 0.0000036200000000, 0.0000021900000000, 0.0000040500000000 ] - [ -0.0000020600000000, -0.0000026700000000, 0.0000031200000000 ] - [ 0.0000019200000000, -0.0000000500000000, -0.0001193400000000 ] - [ 0.0000014100000000, 0.0000016100000000, -0.0001073000000000 ] - [ 0.0000008500000000, -0.0000030200000000, 0.0001293100000000 ] - [ -0.0000017100000000, 0.0000002700000000, -0.0001227000000000 ] - [ -0.0000011600000000, 0.0000004900000000, -0.0001052200000000 ] - [ -0.0000003100000000, -0.0000021400000000, 0.0001138300000000 ] - [ 0.0000015600000000, 0.0000057800000000, 0.0001269800000000 ] - [ 0.0000017500000000, 0.0000049300000000, 0.0001124700000000 ] - [ -0.0001433200000000, 0.0000796200000000, -0.0000781100000000 ] - [ 0.0002458600000000, 0.0003257900000000, -0.0004978700000000 ] - [ -0.0006514100000000, -0.0000621000000000, 0.0009867600000000 ] - [ -0.0047094400000000, -0.0144790700000000, 0.0001247800000000 ] - [ -0.0000492600000000, -0.0001444000000000, -0.0001260800000000 ] - [ -0.0085579100000000, 0.0030264700000000, -0.0024966100000000 ] - [ -0.0005792600000000, -0.0001074700000000, -0.0008766600000000 ] - [ -0.0101744100000000, 0.0039909800000000, -0.0003148700000000 ] - [ 0.0002076800000000, 0.0002710600000000, 0.0003662400000000 ] - [ -0.0002706300000000, 0.0148581300000000, -0.0002183000000000 ] - [ -0.0001671100000000, 0.0125870500000000, 0.0004730700000000 ] - [ 0.0001793600000000, 0.0001289200000000, 0.0004766700000000 ] - [ -0.0120936600000000, 0.0016375100000000, 0.0001769400000000 ] - [ -0.0002650300000000, -0.0000615300000000, -0.0008951200000000 ] - [ -0.0093661400000000, 0.0036889600000000, 0.0022825600000000 ] - [ -0.0000802400000000, -0.0001370400000000, 0.0000009500000000 ] - [ -0.0049803500000000, -0.0133591600000000, 0.0000591200000000 ] - [ 0.0001185400000000, 0.0001242400000000, 0.0001268900000000 ] - [ -0.0000093100000000, -0.0002879100000000, 0.0006413700000000 ] - [ -0.0000775000000000, 0.0000462300000000, -0.0000414600000000 ] - [ 0.0000597400000000, -0.0000218300000000, -0.0004051300000000 ] - [ -0.0000034600000000, -0.0000038300000000, -0.0000719700000000 ] - [ -0.0000535200000000, 0.0000186300000000, -0.0000103100000000 ] - [ -0.0000416700000000, -0.0000662000000000, 0.0000744800000000 ] - [ 0.0000568000000000, -0.0000659300000000, -0.0000308200000000 ] - [ 0.0000552200000000, -0.0000516200000000, 0.0001168000000000 ] - [ -0.0001086300000000, -0.0001249100000000, 0.0001299900000000 ] - [ -0.0000073100000000, -0.0000097600000000, -0.0000645600000000 ] - [ -0.0000804400000000, 0.0000385000000000, 0.0001050600000000 ] - [ 0.0000550100000000, 0.0000778000000000, 0.0000695100000000 ] - [ -0.0000003800000000, -0.0000008900000000, -0.0001099800000000 ] - [ 0.0000250000000000, 0.0000197900000000, -0.0000598100000000 ] - [ -0.0000192600000000, 0.0000249300000000, 0.0000579400000000 ] - [ 0.0000001400000000, -0.0000003100000000, 0.0001092800000000 ] - [ -0.0000008900000000, -0.0000004300000000, -0.0001144900000000 ] - [ -0.0000592300000000, -0.0000557900000000, -0.0001133100000000 ] - [ 0.0000176600000000, -0.0000224000000000, 0.0000570900000000 ] - [ 0.0000592600000000, -0.0000635000000000, -0.0000743900000000 ] - [ -0.0000246100000000, -0.0000188100000000, -0.0000597500000000 ] - [ 0.0000000800000000, -0.0000001600000000, 0.0000530000000000 ] - [ -0.0000000600000000, 0.0000015100000000, 0.0001099800000000 ] - [ 0.0000518600000000, 0.0000716600000000, 0.0000345300000000 ] - [ -0.0000589600000000, 0.0000635100000000, -0.0000745400000000 ] - [ -0.0001290400000000, 0.0001093400000000, -0.0001301000000000 ] - [ 0.0000596400000000, 0.0000556100000000, -0.0001133900000000 ] - [ -0.0000010200000000, -0.0000005900000000, -0.0000135100000000 ] - [ -0.0000001700000000, -0.0000000400000000, 0.0000691600000000 ] - [ 0.0001128300000000, 0.0001266000000000, 0.0001283400000000 ] - [ 0.0001277900000000, -0.0001092100000000, -0.0001301100000000 ] - [ -0.0000687500000000, 0.0000527800000000, -0.0000365600000000 ] - [ -0.0000512600000000, -0.0000708300000000, 0.0000344100000000 ] - [ -0.0000084500000000, -0.0000089400000000, -0.0000694000000000 ] - [ -0.0000003900000000, -0.0000005600000000, 0.0000081200000000 ] - [ -0.0000616200000000, -0.0000600500000000, 0.0000714700000000 ] - [ 0.0000674700000000, -0.0000553700000000, -0.0000360400000000 ] - [ 0.0000569000000000, -0.0000593900000000, 0.0001104000000000 ] - [ -0.0001113200000000, -0.0001248800000000, 0.0001274700000000 ] - [ -0.0000054700000000, -0.0000047400000000, -0.0000771000000000 ] - [ -0.0000567000000000, 0.0000561800000000, 0.0001106200000000 ] - [ 0.0000622200000000, 0.0000608300000000, 0.0000724400000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0016462000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045886200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017829800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019170000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096665500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097851700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047268500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042963800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044801700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047292300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0222813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078511600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071566300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0616754600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0175807500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0559655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2316842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126943700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0150663000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0565146600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0121845900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0133056100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0135155600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125897900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125980000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126479100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125360700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0129711200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126592200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125405200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0128256700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0128433700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126957000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0140871500000000 ] - [ -0.0070668300000000, 0.0083741400000000, -0.0047638900000000 ] - [ -0.0104106600000000, -0.0064610500000000, -0.0021812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374698700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070377400000000 ] - [ -0.0049007400000000, -0.0006911400000000, 0.0328192200000000 ] - [ 0.0104106600000000, 0.0064610500000000, -0.0021812000000000 ] - [ -0.0024871600000000, 0.0011311600000000, 0.0311361800000000 ] - [ 0.0070668300000000, -0.0083741400000000, -0.0047638900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0368256300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0533661100000000 ] - [ 0.0073648200000000, -0.0082693400000000, -0.0037746800000000 ] - [ 0.0024871600000000, -0.0011311600000000, 0.0311361800000000 ] - [ 0.0082222000000000, 0.0072709700000000, -0.0039850500000000 ] - [ 0.0049007400000000, 0.0006911400000000, 0.0328192200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078774800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0357044500000000 ] - [ 0.0000269200000000, 0.0002044600000000, -0.0035265700000000 ] - [ -0.0082222000000000, -0.0072709700000000, -0.0039850500000000 ] - [ -0.0001398900000000, -0.0000340100000000, -0.0037084100000000 ] - [ -0.0073648200000000, 0.0082693400000000, -0.0037746800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130536200000000 ] - [ 0.0004072300000000, 0.0000419000000000, -0.0034067000000000 ] - [ 0.0001398900000000, 0.0000340100000000, -0.0037084100000000 ] - [ 0.0005248300000000, -0.0002333700000000, -0.0037086100000000 ] - [ -0.0000269200000000, -0.0002044600000000, -0.0035265700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098274600000000 ] - [ -0.0005248300000000, 0.0002333700000000, -0.0037086100000000 ] - [ -0.0004072300000000, -0.0000419000000000, -0.0034067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101121500000000 ] - [ 0.0006288200000000, 0.0006236800000000, -0.0036890900000000 ] - [ 0.0005846300000000, -0.0005796600000000, -0.0035726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099235600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101736500000000 ] - [ 0.0002748900000000, 0.0002765200000000, -0.0039686000000000 ] - [ -0.0005846300000000, 0.0005796600000000, -0.0035726600000000 ] - [ 0.0003402000000000, -0.0003417300000000, -0.0035104700000000 ] - [ -0.0006288200000000, -0.0006236800000000, -0.0036890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099190200000000 ] - [ 0.0000616500000000, 0.0000679800000000, -0.0036309100000000 ] - [ -0.0003402000000000, 0.0003417300000000, -0.0035104700000000 ] - [ -0.0001209200000000, 0.0001150600000000, -0.0037814400000000 ] - [ -0.0002748900000000, -0.0002765200000000, -0.0039686000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101076700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099470800000000 ] - [ 0.0000993400000000, 0.0001417200000000, -0.0035249900000000 ] - [ 0.0001209200000000, -0.0001150600000000, -0.0037814400000000 ] - [ -0.0000810000000000, 0.0000342500000000, -0.0037011800000000 ] - [ -0.0000616500000000, -0.0000679800000000, -0.0036309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097972600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100408900000000 ] - [ 0.0002398400000000, 0.0002019400000000, -0.0033628400000000 ] - [ 0.0000810000000000, -0.0000342500000000, -0.0037011800000000 ] - [ 0.0004062100000000, -0.0003746200000000, -0.0037439300000000 ] - [ -0.0000993400000000, -0.0001417200000000, -0.0035249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103957100000000 ] - [ -0.0004062100000000, 0.0003746200000000, -0.0037439300000000 ] - [ -0.0002398400000000, -0.0002019400000000, -0.0033628400000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0017858800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047529000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017835000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100324300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044743500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047334400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045986600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045003000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048098000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0067819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0217586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071561100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078504100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0622685000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0177696200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0557280100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2327360200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0124419200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146634500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0562952800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0119546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130607400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0132964900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0125821800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0125986000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0128931600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127566000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127175800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0129112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127577000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0126053500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0125968300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0124769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0138635600000000 ] - [ 0.0071718700000000, -0.0083984400000000, 0.0047028100000000 ] - [ 0.0104579700000000, 0.0065620100000000, 0.0023276400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0375120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067838900000000 ] - [ 0.0042282800000000, 0.0010106700000000, -0.0329956600000000 ] - [ -0.0104579700000000, -0.0065620100000000, 0.0023276400000000 ] - [ 0.0021896900000000, -0.0018156600000000, -0.0313419900000000 ] - [ -0.0071718700000000, 0.0083984400000000, 0.0047028100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0315905200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0593937200000000 ] - [ -0.0071961700000000, 0.0083456000000000, 0.0037997400000000 ] - [ -0.0021896900000000, 0.0018156600000000, -0.0313419900000000 ] - [ -0.0083997200000000, -0.0069789600000000, 0.0036742200000000 ] - [ -0.0042282800000000, -0.0010106700000000, -0.0329956600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0353486700000000 ] - [ 0.0002058300000000, 0.0000402300000000, 0.0037820800000000 ] - [ 0.0083997200000000, 0.0069789600000000, 0.0036742200000000 ] - [ 0.0000103500000000, 0.0001519500000000, 0.0036340200000000 ] - [ 0.0071961700000000, -0.0083456000000000, 0.0037997400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0130915900000000 ] - [ -0.0005110500000000, -0.0001777400000000, 0.0035551700000000 ] - [ -0.0000103500000000, -0.0001519500000000, 0.0036340200000000 ] - [ -0.0003946600000000, 0.0001368400000000, 0.0039336300000000 ] - [ -0.0002058300000000, -0.0000402300000000, 0.0037820800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096978100000000 ] - [ 0.0003946600000000, -0.0001368400000000, 0.0039336300000000 ] - [ 0.0005110500000000, 0.0001777400000000, 0.0035551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099012400000000 ] - [ -0.0005769700000000, -0.0005885700000000, 0.0035718200000000 ] - [ -0.0006190100000000, 0.0006302000000000, 0.0036878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099502800000000 ] - [ -0.0003930900000000, -0.0003888000000000, 0.0037426900000000 ] - [ 0.0006190100000000, -0.0006302000000000, 0.0036878900000000 ] - [ -0.0002227700000000, 0.0002186900000000, 0.0033619400000000 ] - [ 0.0005769700000000, 0.0005885700000000, 0.0035718200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100681400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101353700000000 ] - [ 0.0000494200000000, 0.0000666500000000, 0.0037012700000000 ] - [ 0.0002227700000000, -0.0002186900000000, 0.0033619400000000 ] - [ -0.0001280800000000, 0.0001114700000000, 0.0035224900000000 ] - [ 0.0003930900000000, 0.0003888000000000, 0.0037426900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100916200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100857800000000 ] - [ 0.0001260300000000, 0.0001088100000000, 0.0037820000000000 ] - [ 0.0001280800000000, -0.0001114700000000, 0.0035224900000000 ] - [ -0.0000547200000000, 0.0000757300000000, 0.0036292600000000 ] - [ -0.0000494200000000, -0.0000666500000000, 0.0037012700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096639400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100532700000000 ] - [ -0.0003608500000000, -0.0003218500000000, 0.0035088000000000 ] - [ 0.0000547200000000, -0.0000757300000000, 0.0036292600000000 ] - [ -0.0002921900000000, 0.0002591700000000, 0.0039666000000000 ] - [ -0.0001260300000000, -0.0001088100000000, 0.0037820000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102511300000000 ] - [ 0.0002921900000000, -0.0002591700000000, 0.0039666000000000 ] - [ 0.0003608500000000, 0.0003218500000000, 0.0035088000000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0077415400000000, 0.0001148700000000, -0.0000663200000000 ] - [ 0.0006568300000000, -0.0000247400000000, 0.0000643900000000 ] - [ 0.0000003200000000, -0.0000002900000000, -0.0000669700000000 ] - [ 0.0000002700000000, 0.0000001400000000, 0.0000672700000000 ] - [ -0.0000013200000000, 0.0000106500000000, -0.0001264800000000 ] - [ 0.0000006900000000, 0.0000002500000000, -0.0000002000000000 ] - [ 0.0000061200000000, -0.0000110300000000, 0.0001579400000000 ] - [ -0.0000001300000000, -0.0000003100000000, 0.0001264000000000 ] - [ -0.0000000500000000, -0.0000001300000000, -0.0000006400000000 ] - [ 0.0000003900000000, -0.0000003200000000, -0.0001588600000000 ] - [ 0.0000003200000000, -0.0000001700000000, -0.0001265800000000 ] - [ 0.0000027900000000, -0.0000047300000000, 0.0000015300000000 ] - [ 0.0000006700000000, 0.0000008400000000, 0.0001579000000000 ] - [ -0.0011168600000000, -0.0005738600000000, 0.0001319500000000 ] - [ 0.0000055000000000, 0.0000086600000000, 0.0000011700000000 ] - [ 0.0014788100000000, 0.0001741300000000, -0.0001507100000000 ] - [ 0.0101712500000000, -0.0007903200000000, 0.0003477200000000 ] - [ -0.0018754300000000, 0.0013190700000000, -0.0003611100000000 ] - [ 0.0000007700000000, -0.0000007400000000, 0.0003477200000000 ] - [ -0.0000000500000000, 0.0000001600000000, -0.0003471300000000 ] - [ 0.0113480100000000, 0.0003998000000000, -0.0002221300000000 ] - [ -0.0136975800000000, -0.0041546600000000, -0.0000405700000000 ] - [ -0.0000040800000000, 0.0000055700000000, -0.0001243900000000 ] - [ 0.0000416500000000, -0.0001446400000000, -0.0000906800000000 ] - [ 0.0000007600000000, 0.0000020900000000, 0.0001245800000000 ] - [ -0.0000087100000000, -0.0000072800000000, -0.0001261000000000 ] - [ -0.0001461800000000, 0.0000907100000000, -0.0001266100000000 ] - [ -0.0151708800000000, 0.0047108400000000, 0.0001507600000000 ] - [ -0.0000012700000000, -0.0000027700000000, 0.0001242900000000 ] - [ 0.0125828500000000, -0.0003036000000000, 0.0003421800000000 ] - [ 0.0000045400000000, 0.0000024200000000, -0.0000026600000000 ] - [ -0.0000011400000000, -0.0000031500000000, -0.0000007200000000 ] - [ -0.0000096700000000, 0.0000067800000000, -0.0001217800000000 ] - [ 0.0000003000000000, 0.0000001500000000, -0.0001103200000000 ] - [ 0.0000324900000000, 0.0001182100000000, 0.0001068400000000 ] - [ -0.0000059800000000, -0.0000045000000000, -0.0001269700000000 ] - [ -0.0000014000000000, 0.0000002900000000, -0.0001093200000000 ] - [ -0.0000014600000000, -0.0000014800000000, 0.0001106800000000 ] - [ -0.0001579900000000, -0.0000818700000000, 0.0001405500000000 ] - [ 0.0000035500000000, 0.0000018200000000, 0.0001119000000000 ] - [ -0.0481458300000000, 0.0031288100000000, -0.0000884000000000 ] - [ 0.0029812500000000, -0.0077853800000000, -0.0083824700000000 ] - [ 0.0072636400000000, 0.0064810600000000, -0.0104119700000000 ] - [ 0.0023858000000000, 0.0010255300000000, 0.0001395600000000 ] - [ 0.0025998500000000, -0.0000051300000000, -0.0001190000000000 ] - [ 0.0000304300000000, -0.0001622100000000, -0.0000883600000000 ] - [ 0.0072876200000000, 0.0064665600000000, 0.0106515300000000 ] - [ 0.0001813700000000, -0.0000043300000000, -0.0001403600000000 ] - [ 0.0028799100000000, -0.0078206700000000, 0.0083287100000000 ] - [ 0.0000763600000000, 0.0000110600000000, 0.0000574000000000 ] - [ 0.0016380100000000, -0.0000000400000000, 0.0000293700000000 ] - [ 0.0000680800000000, 0.0000536500000000, 0.0000362800000000 ] - [ 0.0000782000000000, 0.0001365600000000, -0.0000049600000000 ] - [ -0.0001106400000000, 0.0001288600000000, -0.0001323300000000 ] - [ 0.0001637800000000, -0.0000645400000000, -0.0001328000000000 ] - [ 0.0000049400000000, 0.0000015100000000, -0.0000004700000000 ] - [ 0.0000609400000000, 0.0000044500000000, 0.0000687600000000 ] - [ 0.0001147500000000, 0.0001236400000000, 0.0001295700000000 ] - [ 0.0001206800000000, -0.0001162400000000, -0.0001255700000000 ] - [ -0.0000664600000000, 0.0000573900000000, -0.0000355100000000 ] - [ -0.0000623900000000, -0.0000628200000000, 0.0000350500000000 ] - [ 0.0000007100000000, -0.0000001400000000, -0.0000677400000000 ] - [ 0.0000052100000000, -0.0000004700000000, 0.0000021700000000 ] - [ 0.0068545400000000, -0.0085986000000000, -0.0110228200000000 ] - [ 0.0000671500000000, -0.0000557900000000, -0.0000352300000000 ] - [ 0.0029665400000000, 0.0076731500000000, -0.0084873800000000 ] - [ -0.0001132600000000, -0.0001247600000000, 0.0001291300000000 ] - [ 0.0000012300000000, 0.0000003700000000, -0.0000616300000000 ] - [ 0.0028642300000000, 0.0077382400000000, 0.0086404100000000 ] - [ 0.0069700100000000, -0.0084018300000000, 0.0110486900000000 ] - [ 0.0000007300000000, 0.0000001000000000, -0.0001039600000000 ] - [ 0.0000273800000000, 0.0000157200000000, -0.0000578900000000 ] - [ -0.0000162900000000, 0.0000278000000000, 0.0000591700000000 ] - [ 0.0000011900000000, -0.0000004200000000, 0.0001122600000000 ] - [ 0.0000003700000000, -0.0000001500000000, -0.0001126800000000 ] - [ -0.0000589800000000, -0.0000554100000000, -0.0001125000000000 ] - [ 0.0000160600000000, -0.0000252700000000, 0.0000586700000000 ] - [ 0.0000594000000000, -0.0000635000000000, -0.0000731500000000 ] - [ -0.0000265300000000, -0.0000162500000000, -0.0000585600000000 ] - [ 0.0000056100000000, -0.0000015400000000, 0.0000574900000000 ] - [ 0.0000009800000000, 0.0000001700000000, 0.0001070800000000 ] - [ 0.0000587200000000, 0.0000628700000000, 0.0000325300000000 ] - [ -0.0000575900000000, 0.0000642900000000, -0.0000739500000000 ] - [ -0.0001234500000000, 0.0001162800000000, -0.0001286400000000 ] - [ 0.0000608800000000, 0.0000543800000000, -0.0001122600000000 ] - [ 0.0000829100000000, -0.0000064800000000, -0.0000034400000000 ] - [ 0.0000059500000000, 0.0000001700000000, 0.0000715900000000 ] - [ 0.0001911300000000, 0.0000141800000000, 0.0000650300000000 ] - [ 0.0001301200000000, -0.0001058500000000, -0.0001294200000000 ] - [ 0.0000089500000000, 0.0001860100000000, -0.0000077000000000 ] - [ -0.0000475300000000, -0.0000764200000000, 0.0000388000000000 ] - [ 0.0024087300000000, -0.0008889000000000, -0.0000934700000000 ] - [ 0.0000683100000000, -0.0000019100000000, 0.0000081500000000 ] - [ -0.0000615200000000, -0.0000606600000000, 0.0000735100000000 ] - [ 0.0001391900000000, 0.0000721400000000, -0.0000655300000000 ] - [ 0.0000580400000000, -0.0000585200000000, 0.0001120600000000 ] - [ -0.0000377600000000, -0.0002294100000000, 0.0001917400000000 ] - [ 0.0015343200000000, 0.0001742800000000, -0.0000083900000000 ] - [ -0.0000553600000000, 0.0000569500000000, 0.0001121700000000 ] - [ 0.0000622400000000, 0.0000606100000000, 0.0000731800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002582700000000, 0.0033432300000000, -0.0000669900000000 ] - [ -0.0003339000000000, -0.0004907900000000, 0.0000626400000000 ] - [ -0.0000000700000000, 0.0000001700000000, -0.0000669800000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0000672900000000 ] - [ 0.0000041800000000, 0.0000079800000000, -0.0001267100000000 ] - [ 0.0000005300000000, 0.0000003900000000, -0.0000001800000000 ] - [ -0.0000030700000000, 0.0000047700000000, 0.0001577900000000 ] - [ -0.0000005500000000, 0.0000000000000000, 0.0001264500000000 ] - [ -0.0000012700000000, 0.0000005700000000, -0.0000006200000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0001588700000000 ] - [ -0.0000004800000000, 0.0000007600000000, -0.0001267400000000 ] - [ -0.0000057000000000, 0.0000064600000000, 0.0000016900000000 ] - [ 0.0000003600000000, 0.0000008400000000, 0.0001579100000000 ] - [ 0.0000394900000000, 0.0013690900000000, 0.0001348300000000 ] - [ 0.0000053100000000, 0.0000032700000000, 0.0000014400000000 ] - [ 0.0005593900000000, -0.0010882300000000, -0.0001457300000000 ] - [ -0.0006565400000000, -0.0295193700000000, 0.0003454400000000 ] - [ -0.0000963900000000, 0.0021491000000000, -0.0003630800000000 ] - [ 0.0000001000000000, -0.0000004900000000, 0.0003473400000000 ] - [ -0.0000002500000000, 0.0000009000000000, -0.0003464900000000 ] - [ -0.0002033200000000, 0.0149068700000000, -0.0001001900000000 ] - [ 0.0060816300000000, -0.0129665400000000, -0.0000539700000000 ] - [ -0.0000040100000000, -0.0000044700000000, -0.0001238700000000 ] - [ 0.0000509400000000, 0.0000783400000000, -0.0000878800000000 ] - [ 0.0000013600000000, 0.0000006600000000, 0.0001242600000000 ] - [ 0.0000087200000000, -0.0000105200000000, -0.0001261400000000 ] - [ -0.0000513600000000, -0.0001734900000000, -0.0001282300000000 ] - [ -0.0036122900000000, -0.0144773900000000, 0.0001611000000000 ] - [ -0.0000005500000000, -0.0000025400000000, 0.0001242000000000 ] - [ 0.0001662300000000, 0.0154597100000000, 0.0002186600000000 ] - [ 0.0000026600000000, 0.0000043700000000, -0.0000027100000000 ] - [ -0.0000013500000000, -0.0000031100000000, -0.0000008200000000 ] - [ -0.0000065100000000, -0.0000097600000000, -0.0001213600000000 ] - [ 0.0000016700000000, -0.0000003400000000, -0.0001099400000000 ] - [ -0.0000750100000000, 0.0000296100000000, 0.0001027100000000 ] - [ 0.0000029700000000, -0.0000062500000000, -0.0001270900000000 ] - [ -0.0000018900000000, -0.0000007600000000, -0.0001093700000000 ] - [ -0.0000021800000000, -0.0000013600000000, 0.0001107500000000 ] - [ 0.0000353000000000, -0.0001692300000000, 0.0001433500000000 ] - [ 0.0000018700000000, 0.0000038400000000, 0.0001115700000000 ] - [ 0.0031283200000000, -0.0382581200000000, -0.0000828500000000 ] - [ -0.0089168100000000, 0.0094189800000000, 0.0122109900000000 ] - [ 0.0062078100000000, 0.0019547000000000, -0.0078133300000000 ] - [ -0.0010254000000000, 0.0021570100000000, 0.0001416600000000 ] - [ -0.0001543000000000, 0.0025994500000000, -0.0001187200000000 ] - [ -0.0002063600000000, 0.0000176900000000, -0.0000738300000000 ] - [ 0.0062205800000000, 0.0018243500000000, 0.0079723600000000 ] - [ 0.0002043000000000, -0.0000433700000000, -0.0000628000000000 ] - [ -0.0088856100000000, 0.0094648600000000, -0.0121256700000000 ] - [ -0.0000168300000000, 0.0000821200000000, 0.0000556700000000 ] - [ 0.0000002900000000, 0.0016375300000000, 0.0000200700000000 ] - [ 0.0000579200000000, 0.0000634500000000, 0.0000383300000000 ] - [ 0.0001016600000000, 0.0000985100000000, -0.0000820600000000 ] - [ -0.0001111200000000, 0.0001246100000000, -0.0001282300000000 ] - [ -0.0000682000000000, 0.0001121500000000, -0.0001465300000000 ] - [ -0.0000015400000000, 0.0000049400000000, -0.0000000300000000 ] - [ -0.0000081300000000, 0.0000643000000000, 0.0000696300000000 ] - [ 0.0001132800000000, 0.0001250000000000, 0.0001294100000000 ] - [ 0.0001194100000000, -0.0001210900000000, -0.0001298700000000 ] - [ -0.0000668300000000, 0.0000572500000000, -0.0000350800000000 ] - [ -0.0000732900000000, -0.0000520800000000, 0.0000329000000000 ] - [ -0.0000004000000000, 0.0000007200000000, -0.0000688100000000 ] - [ -0.0000009900000000, 0.0000059600000000, 0.0000020900000000 ] - [ -0.0076276300000000, 0.0038445700000000, 0.0090847000000000 ] - [ 0.0000669100000000, -0.0000553500000000, -0.0000355300000000 ] - [ 0.0082183200000000, 0.0091530300000000, -0.0116508200000000 ] - [ -0.0001141100000000, -0.0001238100000000, 0.0001294300000000 ] - [ 0.0000003100000000, 0.0000010900000000, -0.0000606500000000 ] - [ 0.0079927500000000, 0.0093017700000000, 0.0116822200000000 ] - [ -0.0075312800000000, 0.0039134900000000, -0.0089985100000000 ] - [ 0.0000001300000000, 0.0000005000000000, -0.0001059200000000 ] - [ 0.0000266500000000, 0.0000162800000000, -0.0000580800000000 ] - [ -0.0000168900000000, 0.0000280200000000, 0.0000593500000000 ] - [ 0.0000003200000000, 0.0000006800000000, 0.0001139100000000 ] - [ -0.0000002400000000, 0.0000004500000000, -0.0001131000000000 ] - [ -0.0000604300000000, -0.0000546300000000, -0.0001126600000000 ] - [ 0.0000156000000000, -0.0000247800000000, 0.0000584800000000 ] - [ 0.0000592500000000, -0.0000634400000000, -0.0000735000000000 ] - [ -0.0000269700000000, -0.0000159900000000, -0.0000587700000000 ] - [ 0.0000015700000000, 0.0000048300000000, 0.0000568700000000 ] - [ -0.0000000500000000, 0.0000009300000000, 0.0001085100000000 ] - [ 0.0000498600000000, 0.0000714100000000, 0.0000342800000000 ] - [ -0.0000577800000000, 0.0000645700000000, -0.0000736200000000 ] - [ -0.0001192900000000, 0.0001175200000000, -0.0001320400000000 ] - [ 0.0000601500000000, 0.0000553600000000, -0.0001121300000000 ] - [ 0.0000226600000000, 0.0000784300000000, -0.0000030500000000 ] - [ 0.0000004500000000, 0.0000060900000000, 0.0000711100000000 ] - [ -0.0000158300000000, 0.0001779700000000, 0.0001153300000000 ] - [ 0.0001329500000000, -0.0001057800000000, -0.0001262800000000 ] - [ 0.0000395500000000, 0.0001536000000000, -0.0000678500000000 ] - [ -0.0000578200000000, -0.0000663500000000, 0.0000366400000000 ] - [ 0.0005079800000000, 0.0023161200000000, -0.0000980600000000 ] - [ 0.0000054900000000, 0.0000705100000000, 0.0000079400000000 ] - [ -0.0000627000000000, -0.0000597700000000, 0.0000733400000000 ] - [ 0.0001668700000000, 0.0000380100000000, -0.0000058700000000 ] - [ 0.0000572000000000, -0.0000590400000000, 0.0001119600000000 ] - [ -0.0002441800000000, -0.0000664000000000, 0.0001411400000000 ] - [ 0.0002377600000000, 0.0013762300000000, 0.0000054600000000 ] - [ -0.0000552800000000, 0.0000578600000000, 0.0001120100000000 ] - [ 0.0000622700000000, 0.0000606200000000, 0.0000729700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0145440900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004676300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015350500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013998900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036493200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036392200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033974800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036360800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038546500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037710700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035165900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012109200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017043700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0594829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025193600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056040400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062998500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0575734400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0387793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105738800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0141289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099786800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069940400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0375235200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0533602700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099904600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101117300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0135026700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105491800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101631100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073199400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2604690200000000 ] - [ -0.0119382900000000, 0.0232762300000000, -0.0010415100000000 ] - [ -0.0167298600000000, -0.0137047800000000, 0.0034051400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541953800000000 ] - [ 0.0006268300000000, -0.0008692500000000, 0.0025219700000000 ] - [ 0.0167298600000000, 0.0137047800000000, 0.0034051400000000 ] - [ 0.0007486100000000, 0.0010277300000000, 0.0025831800000000 ] - [ 0.0119382900000000, -0.0232762300000000, -0.0010415100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095376200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0294720400000000 ] - [ -0.0000163100000000, 0.0001402500000000, 0.0029196700000000 ] - [ -0.0007486100000000, -0.0010277300000000, 0.0025831800000000 ] - [ -0.0001955800000000, 0.0000536800000000, 0.0027532200000000 ] - [ -0.0006268300000000, 0.0008692500000000, 0.0025219700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079040100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072022300000000 ] - [ 0.0001242200000000, 0.0001135800000000, 0.0030258000000000 ] - [ 0.0001955800000000, -0.0000536800000000, 0.0027532200000000 ] - [ -0.0000594600000000, 0.0000703200000000, 0.0028727400000000 ] - [ 0.0000163100000000, -0.0001402500000000, 0.0029196700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078888700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081260700000000 ] - [ -0.0181896700000000, 0.0170580400000000, 0.0038157300000000 ] - [ 0.0000594600000000, -0.0000703200000000, 0.0028727400000000 ] - [ -0.0113507000000000, -0.0215403600000000, 0.0001877900000000 ] - [ -0.0001242200000000, -0.0001135800000000, 0.0030258000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078732100000000 ] - [ 0.0113507000000000, 0.0215403600000000, 0.0001877900000000 ] - [ 0.0181896700000000, -0.0170580400000000, 0.0038157300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078484500000000 ] - [ -0.0004595400000000, -0.0004573700000000, 0.0028207000000000 ] - [ -0.0005006000000000, 0.0004977600000000, 0.0029403400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080789600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078582000000000 ] - [ -0.0003152200000000, -0.0003269500000000, 0.0029455300000000 ] - [ 0.0005006000000000, -0.0004977600000000, 0.0029403400000000 ] - [ -0.0001538800000000, 0.0001677900000000, 0.0026525600000000 ] - [ 0.0004595400000000, 0.0004573700000000, 0.0028207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079311300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080584400000000 ] - [ -0.0000158000000000, 0.0001258100000000, 0.0029271100000000 ] - [ 0.0001538800000000, -0.0001677900000000, 0.0026525600000000 ] - [ -0.0001854100000000, 0.0000479400000000, 0.0027483200000000 ] - [ 0.0003152200000000, 0.0003269500000000, 0.0029455300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093751000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081293800000000 ] - [ 0.0007245200000000, -0.0005875100000000, 0.0028621900000000 ] - [ 0.0001854100000000, -0.0000479400000000, 0.0027483200000000 ] - [ 0.0007775000000000, 0.0007775800000000, 0.0026061200000000 ] - [ 0.0000158000000000, -0.0001258100000000, 0.0029271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012129000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072559700000000 ] - [ -0.0002871200000000, -0.0002827700000000, 0.0027979200000000 ] - [ -0.0007775000000000, -0.0007775800000000, 0.0026061200000000 ] - [ -0.0002091700000000, 0.0002054800000000, 0.0031705700000000 ] - [ -0.0007245200000000, 0.0005875100000000, 0.0028621900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0262848700000000 ] - [ 0.0002091700000000, -0.0002054800000000, 0.0031705700000000 ] - [ 0.0002871200000000, 0.0002827700000000, 0.0027979200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0146816700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006268700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014002600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037191600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037808900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036363000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035353900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035194400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035161700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038460400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014022800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035103600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0588048200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019251700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0063013800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0513968100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0386428000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0138305600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097296200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068301800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0374546900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102912300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0593907100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099906500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097537600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0138340400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099534500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101459700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0075227700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2603341700000000 ] - [ 0.0118736000000000, -0.0230116500000000, 0.0007757900000000 ] - [ 0.0165351200000000, 0.0136268900000000, -0.0034254000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0539977000000000 ] - [ -0.0007244500000000, 0.0007525700000000, -0.0027529700000000 ] - [ -0.0165351200000000, -0.0136268900000000, -0.0034254000000000 ] - [ -0.0006131600000000, -0.0011405400000000, -0.0027297600000000 ] - [ -0.0118736000000000, 0.0230116500000000, 0.0007757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0093897200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0287744900000000 ] - [ 0.0001422800000000, -0.0000183800000000, -0.0028504900000000 ] - [ 0.0006131600000000, 0.0011405400000000, -0.0027297600000000 ] - [ -0.0000406500000000, 0.0001867100000000, -0.0030133200000000 ] - [ 0.0007244500000000, -0.0007525700000000, -0.0027529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079076300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070749200000000 ] - [ 0.0001106500000000, 0.0001288200000000, -0.0027670600000000 ] - [ 0.0000406500000000, -0.0001867100000000, -0.0030133200000000 ] - [ -0.0000684800000000, 0.0000496700000000, -0.0029433100000000 ] - [ -0.0001422800000000, 0.0000183800000000, -0.0028504900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080250700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0081235400000000 ] - [ 0.0182658300000000, -0.0173339700000000, -0.0035405100000000 ] - [ 0.0000684800000000, -0.0000496700000000, -0.0029433100000000 ] - [ 0.0115814600000000, 0.0216385800000000, 0.0001825900000000 ] - [ -0.0001106500000000, -0.0001288200000000, -0.0027670600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080019700000000 ] - [ -0.0115814600000000, -0.0216385800000000, 0.0001825900000000 ] - [ -0.0182658300000000, 0.0173339700000000, -0.0035405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080651800000000 ] - [ 0.0005013400000000, 0.0004983600000000, -0.0029393300000000 ] - [ 0.0004602400000000, -0.0004574200000000, -0.0028226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078671100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080710200000000 ] - [ 0.0002008700000000, 0.0002133500000000, -0.0031706100000000 ] - [ -0.0004602400000000, 0.0004574200000000, -0.0028226600000000 ] - [ 0.0002757800000000, -0.0002907700000000, -0.0027987900000000 ] - [ -0.0005013400000000, -0.0004983600000000, -0.0029393300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078485100000000 ] - [ 0.0001370800000000, 0.0000001300000000, -0.0028579100000000 ] - [ -0.0002757800000000, 0.0002907700000000, -0.0027987900000000 ] - [ -0.0000552700000000, 0.0001884500000000, -0.0030083700000000 ] - [ -0.0002008700000000, -0.0002133500000000, -0.0031706100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0094027500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079993600000000 ] - [ -0.0005044200000000, 0.0008471800000000, -0.0025997700000000 ] - [ 0.0000552700000000, -0.0001884500000000, -0.0030083700000000 ] - [ -0.0009226000000000, -0.0006743700000000, -0.0026736100000000 ] - [ -0.0001370800000000, -0.0000001300000000, -0.0028579100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012867200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072447100000000 ] - [ 0.0001618500000000, 0.0001620100000000, -0.0026535200000000 ] - [ 0.0009226000000000, 0.0006743700000000, -0.0026736100000000 ] - [ 0.0003217900000000, -0.0003216200000000, -0.0029476100000000 ] - [ 0.0005044200000000, -0.0008471800000000, -0.0025997700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0268432700000000 ] - [ -0.0003217900000000, 0.0003216200000000, -0.0029476100000000 ] - [ -0.0001618500000000, -0.0001620100000000, -0.0026535200000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006421000000000, -0.0011075900000000, -0.0020463900000000 ] - [ 0.0015519700000000, -0.0003038900000000, -0.0003404200000000 ] - [ 0.0000003300000000, -0.0000000600000000, 0.0000205000000000 ] - [ 0.0000004300000000, -0.0000000700000000, 0.0001550400000000 ] - [ -0.0000267200000000, -0.0000090500000000, 0.0000715900000000 ] - [ 0.0000006500000000, -0.0000004200000000, 0.0002187300000000 ] - [ 0.0000397500000000, 0.0000055100000000, 0.0003992100000000 ] - [ -0.0000000200000000, -0.0000001200000000, 0.0003447200000000 ] - [ -0.0000002200000000, -0.0000001100000000, 0.0002190400000000 ] - [ 0.0000007700000000, -0.0000008800000000, 0.0000617500000000 ] - [ 0.0000005600000000, -0.0000000300000000, 0.0000926000000000 ] - [ 0.0000010700000000, 0.0000004600000000, 0.0002275700000000 ] - [ 0.0000004800000000, 0.0000000500000000, 0.0003803000000000 ] - [ 0.0000053400000000, -0.0000632200000000, 0.0005159400000000 ] - [ 0.0000009600000000, 0.0000000500000000, 0.0002294000000000 ] - [ 0.0000001900000000, 0.0000429600000000, 0.0003078900000000 ] - [ 0.0082149800000000, 0.0001703200000000, -0.0047403500000000 ] - [ -0.0023608600000000, -0.0028569900000000, 0.0040369000000000 ] - [ 0.0000006800000000, -0.0000006200000000, 0.0007044000000000 ] - [ 0.0000003100000000, 0.0000003600000000, 0.0000082400000000 ] - [ -0.0006307100000000, 0.0109421300000000, -0.0034391700000000 ] - [ -0.0037540600000000, -0.0016868500000000, -0.0056784500000000 ] - [ 0.0000001700000000, 0.0000064600000000, 0.0003337400000000 ] - [ -0.0004481000000000, 0.0002267300000000, -0.0072119100000000 ] - [ 0.0000018600000000, 0.0000017000000000, 0.0007476000000000 ] - [ -0.0000112100000000, 0.0000049700000000, 0.0006224500000000 ] - [ 0.0002992200000000, -0.0001212200000000, 0.0082437100000000 ] - [ -0.0001130300000000, 0.0006137500000000, -0.0102896700000000 ] - [ -0.0000014000000000, -0.0000014400000000, 0.0007175900000000 ] - [ -0.0000897000000000, -0.0002318500000000, 0.0066037000000000 ] - [ 0.0000029300000000, 0.0000001900000000, 0.0005974100000000 ] - [ -0.0000017400000000, -0.0000014200000000, 0.0005968900000000 ] - [ 0.0000006000000000, 0.0000009100000000, 0.0004652700000000 ] - [ 0.0000016000000000, 0.0000002900000000, 0.0004924600000000 ] - [ -0.0000008500000000, 0.0000119200000000, 0.0007914400000000 ] - [ -0.0000003500000000, 0.0000005600000000, 0.0004942400000000 ] - [ -0.0000010600000000, -0.0000001100000000, 0.0004961700000000 ] - [ -0.0000001500000000, -0.0000003100000000, 0.0007052600000000 ] - [ -0.0000044200000000, 0.0000022200000000, 0.0006368100000000 ] - [ 0.0000007900000000, 0.0000004800000000, 0.0007063600000000 ] - [ 0.0028715700000000, -0.0088810700000000, -0.0120133500000000 ] - [ -0.1086722500000000, 0.0470791200000000, 0.0048635500000000 ] - [ -0.0066268300000000, -0.0102995200000000, 0.0003801300000000 ] - [ 0.0072842600000000, -0.0061894900000000, -0.0163942900000000 ] - [ 0.0094565800000000, -0.0077766500000000, 0.0228802000000000 ] - [ 0.0022849700000000, -0.0019391700000000, -0.0009834000000000 ] - [ 0.0538442900000000, 0.0103444000000000, 0.0019544600000000 ] - [ 0.0015512500000000, 0.0012277700000000, -0.0000427400000000 ] - [ 0.0370906800000000, -0.0226248100000000, 0.0026874300000000 ] - [ 0.0000948400000000, -0.0001193300000000, 0.0002915800000000 ] - [ 0.0018419200000000, -0.0064485800000000, 0.0137620400000000 ] - [ 0.0000263100000000, 0.0000916000000000, -0.0001488000000000 ] - [ -0.0016743700000000, -0.0012361100000000, 0.0000816100000000 ] - [ -0.0001526200000000, 0.0000952300000000, -0.0002998800000000 ] - [ -0.0016645100000000, 0.0016083300000000, -0.0003510800000000 ] - [ 0.0000054100000000, -0.0000033900000000, -0.0005438000000000 ] - [ 0.0000473400000000, -0.0000537300000000, -0.0010833700000000 ] - [ 0.0001221500000000, 0.0001184400000000, -0.0000434400000000 ] - [ 0.0001481300000000, -0.0000926100000000, -0.0002947700000000 ] - [ -0.0000602700000000, 0.0000642800000000, -0.0002091600000000 ] - [ -0.0000047900000000, -0.0001096400000000, -0.0001448600000000 ] - [ 0.0000007500000000, -0.0000003400000000, -0.0005375100000000 ] - [ 0.0000034200000000, -0.0000057700000000, -0.0004103200000000 ] - [ 0.0031841700000000, -0.0020939100000000, 0.0000370200000000 ] - [ 0.0000602900000000, -0.0000633800000000, -0.0002085000000000 ] - [ 0.0025321000000000, 0.0001583600000000, -0.0010232500000000 ] - [ -0.0001191200000000, -0.0001189500000000, -0.0000439000000000 ] - [ 0.0000008200000000, -0.0000003400000000, -0.0005443500000000 ] - [ -0.0034834500000000, 0.0000137800000000, -0.0015667000000000 ] - [ -0.0022121400000000, 0.0018976200000000, 0.0002719200000000 ] - [ 0.0000004400000000, -0.0000003500000000, -0.0005840400000000 ] - [ 0.0000508900000000, 0.0000488500000000, -0.0002312400000000 ] - [ 0.0000093100000000, -0.0000069800000000, -0.0001129100000000 ] - [ 0.0000007500000000, -0.0000001600000000, -0.0003694200000000 ] - [ 0.0000005000000000, -0.0000000800000000, -0.0005820600000000 ] - [ -0.0000418800000000, -0.0000404700000000, -0.0002955900000000 ] - [ -0.0000086900000000, 0.0000086200000000, -0.0001130000000000 ] - [ 0.0000741600000000, -0.0000764700000000, -0.0002361700000000 ] - [ -0.0000495100000000, -0.0000483500000000, -0.0002314200000000 ] - [ 0.0000007400000000, -0.0000006400000000, -0.0004048000000000 ] - [ 0.0000003300000000, 0.0000001000000000, -0.0003681300000000 ] - [ 0.0000652300000000, 0.0000587500000000, -0.0001396000000000 ] - [ -0.0000729000000000, 0.0000763300000000, -0.0002364000000000 ] - [ -0.0001164900000000, 0.0001222100000000, -0.0003049600000000 ] - [ 0.0000434100000000, 0.0000398500000000, -0.0002957600000000 ] - [ 0.0000025400000000, -0.0000068200000000, -0.0005325700000000 ] - [ 0.0000008200000000, -0.0000004000000000, -0.0004132100000000 ] - [ 0.0001114000000000, 0.0001208300000000, -0.0000448300000000 ] - [ 0.0001162900000000, -0.0001227800000000, -0.0003054200000000 ] - [ -0.0000919900000000, 0.0000267500000000, -0.0002417400000000 ] - [ -0.0000631000000000, -0.0000592600000000, -0.0001397300000000 ] - [ 0.0000865400000000, -0.0001507600000000, 0.0002902200000000 ] - [ 0.0000045000000000, -0.0000037800000000, -0.0003963100000000 ] - [ -0.0000497600000000, -0.0000465200000000, -0.0000901300000000 ] - [ 0.0000838100000000, -0.0000275600000000, -0.0002476600000000 ] - [ 0.0000723400000000, -0.0000750900000000, -0.0000705600000000 ] - [ -0.0000895300000000, -0.0001387000000000, -0.0000394100000000 ] - [ 0.0000598700000000, -0.0001053700000000, -0.0009228600000000 ] - [ -0.0000707900000000, 0.0000741100000000, -0.0000709100000000 ] - [ 0.0000509600000000, 0.0000462600000000, -0.0000904500000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005933900000000, 0.0010773400000000, 0.0018883100000000 ] - [ -0.0014906300000000, 0.0003692700000000, 0.0005924000000000 ] - [ 0.0000000100000000, -0.0000003200000000, -0.0001560400000000 ] - [ 0.0000001300000000, 0.0000001100000000, -0.0000218200000000 ] - [ 0.0000271700000000, 0.0000103200000000, -0.0003232800000000 ] - [ 0.0000006900000000, -0.0000002600000000, -0.0002221300000000 ] - [ -0.0000399800000000, -0.0000064100000000, -0.0000825500000000 ] - [ -0.0000004900000000, -0.0000002200000000, -0.0000956900000000 ] - [ -0.0000011200000000, 0.0000005400000000, -0.0002227000000000 ] - [ -0.0000003000000000, 0.0000001200000000, -0.0003821700000000 ] - [ 0.0000001100000000, 0.0000003200000000, -0.0003490100000000 ] - [ 0.0000002400000000, 0.0000020600000000, -0.0002291600000000 ] - [ -0.0000005900000000, 0.0000006500000000, -0.0000663800000000 ] - [ -0.0000029900000000, 0.0000624500000000, -0.0002715900000000 ] - [ 0.0000002400000000, -0.0000008400000000, -0.0002310900000000 ] - [ 0.0000004100000000, -0.0000424400000000, -0.0006304600000000 ] - [ -0.0079515600000000, 0.0000947300000000, 0.0049996300000000 ] - [ 0.0022308500000000, 0.0027976200000000, -0.0046507800000000 ] - [ 0.0000001400000000, -0.0000005700000000, -0.0000120900000000 ] - [ -0.0000001300000000, 0.0000002600000000, -0.0007089700000000 ] - [ 0.0013900300000000, -0.0123655500000000, 0.0034869700000000 ] - [ 0.0014767100000000, 0.0032633500000000, 0.0058395600000000 ] - [ 0.0000013200000000, -0.0000066100000000, -0.0005935400000000 ] - [ 0.0004503200000000, -0.0002292200000000, 0.0070337200000000 ] - [ 0.0000016700000000, 0.0000001400000000, -0.0005021600000000 ] - [ 0.0000116500000000, -0.0000047200000000, -0.0008848300000000 ] - [ -0.0002981200000000, 0.0001209700000000, -0.0085423900000000 ] - [ 0.0001273600000000, -0.0006202500000000, 0.0105885300000000 ] - [ -0.0000000300000000, -0.0000011800000000, -0.0004735800000000 ] - [ 0.0000797000000000, 0.0002293000000000, -0.0064259100000000 ] - [ 0.0000022500000000, 0.0000004600000000, -0.0006052000000000 ] - [ -0.0000016100000000, -0.0000012400000000, -0.0006054900000000 ] - [ 0.0000001900000000, -0.0000011600000000, -0.0007227400000000 ] - [ 0.0000014900000000, 0.0000001600000000, -0.0007144500000000 ] - [ -0.0000006400000000, -0.0000125200000000, -0.0005452600000000 ] - [ 0.0000008400000000, 0.0000000700000000, -0.0007563800000000 ] - [ -0.0000013100000000, -0.0000002600000000, -0.0007166800000000 ] - [ -0.0000002500000000, -0.0000004800000000, -0.0004970600000000 ] - [ 0.0000074500000000, -0.0000008700000000, -0.0003918800000000 ] - [ 0.0000010500000000, 0.0000006000000000, -0.0005018600000000 ] - [ -0.0029909200000000, 0.0089203200000000, 0.0117873300000000 ] - [ 0.1104041100000000, -0.0478640300000000, -0.0048551600000000 ] - [ 0.0067730500000000, 0.0105884700000000, -0.0002791500000000 ] - [ -0.0072630300000000, 0.0062365000000000, 0.0168663800000000 ] - [ -0.0094257900000000, 0.0078276700000000, -0.0234038200000000 ] - [ -0.0024294500000000, 0.0018542500000000, 0.0007599300000000 ] - [ -0.0539516900000000, -0.0105440500000000, -0.0017866600000000 ] - [ -0.0014423500000000, -0.0013613200000000, -0.0001031500000000 ] - [ -0.0373452900000000, 0.0227149000000000, -0.0028510800000000 ] - [ -0.0000946200000000, 0.0001200200000000, -0.0001623800000000 ] - [ -0.0019386300000000, 0.0064999600000000, -0.0135561000000000 ] - [ 0.0000997700000000, 0.0000301900000000, 0.0002210600000000 ] - [ 0.0015674200000000, 0.0013691100000000, -0.0002250400000000 ] - [ -0.0000828300000000, 0.0001459400000000, 0.0000425800000000 ] - [ 0.0018017300000000, -0.0015202000000000, 0.0001291600000000 ] - [ -0.0000046300000000, 0.0000037900000000, 0.0005476200000000 ] - [ -0.0000479000000000, 0.0000552900000000, 0.0012326900000000 ] - [ 0.0001139500000000, 0.0001257400000000, 0.0003052800000000 ] - [ 0.0000894700000000, -0.0001480700000000, 0.0000377800000000 ] - [ -0.0000683800000000, 0.0000561800000000, 0.0001409600000000 ] - [ -0.0001209700000000, -0.0000123800000000, 0.0002174600000000 ] - [ -0.0000002400000000, 0.0000004300000000, 0.0004096300000000 ] - [ -0.0000029500000000, 0.0000055100000000, 0.0004188900000000 ] - [ -0.0033283300000000, 0.0019778800000000, 0.0001228600000000 ] - [ 0.0000685300000000, -0.0000554300000000, 0.0001406100000000 ] - [ -0.0024214000000000, -0.0002461000000000, 0.0012593100000000 ] - [ -0.0001144100000000, -0.0001244500000000, 0.0003053300000000 ] - [ 0.0000000200000000, 0.0000004800000000, 0.0004226500000000 ] - [ 0.0033572800000000, 0.0000943000000000, 0.0017865400000000 ] - [ 0.0023418200000000, -0.0017803500000000, -0.0001260600000000 ] - [ 0.0000000900000000, -0.0000000700000000, 0.0003753900000000 ] - [ -0.0000059300000000, -0.0000084100000000, 0.0001156100000000 ] - [ -0.0000491600000000, 0.0000521300000000, 0.0002335600000000 ] - [ 0.0000000900000000, -0.0000000700000000, 0.0005918700000000 ] - [ -0.0000000900000000, 0.0000001300000000, 0.0003717600000000 ] - [ -0.0000737300000000, -0.0000727900000000, 0.0000727300000000 ] - [ 0.0000489100000000, -0.0000501200000000, 0.0002333600000000 ] - [ 0.0000470500000000, -0.0000479800000000, 0.0000917400000000 ] - [ 0.0000067300000000, 0.0000091500000000, 0.0001154000000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0005367400000000 ] - [ 0.0000000800000000, 0.0000003000000000, 0.0005896100000000 ] - [ 0.0000549700000000, 0.0000696000000000, 0.0002113900000000 ] - [ -0.0000462300000000, 0.0000480300000000, 0.0000914700000000 ] - [ -0.0001260000000000, 0.0001124700000000, 0.0000475000000000 ] - [ 0.0000741700000000, 0.0000726000000000, 0.0000727200000000 ] - [ -0.0000018700000000, 0.0000071300000000, 0.0005324400000000 ] - [ -0.0000000300000000, 0.0000006200000000, 0.0005534000000000 ] - [ 0.0001221800000000, 0.0001233200000000, 0.0003059700000000 ] - [ 0.0001265100000000, -0.0001126000000000, 0.0000481600000000 ] - [ -0.0000355900000000, 0.0000913900000000, 0.0001740100000000 ] - [ -0.0000556000000000, -0.0000679900000000, 0.0002114100000000 ] - [ -0.0000871500000000, 0.0001531200000000, -0.0004268700000000 ] - [ -0.0000037700000000, 0.0000040400000000, 0.0004071300000000 ] - [ -0.0000738400000000, -0.0000751100000000, 0.0002382400000000 ] - [ 0.0000461500000000, -0.0000917400000000, 0.0001801900000000 ] - [ 0.0000426000000000, -0.0000411700000000, 0.0002974300000000 ] - [ -0.0001427200000000, -0.0001043900000000, 0.0003011400000000 ] - [ -0.0000595400000000, 0.0001064600000000, 0.0007921300000000 ] - [ -0.0000414400000000, 0.0000402600000000, 0.0002971500000000 ] - [ 0.0000741600000000, 0.0000751600000000, 0.0002379900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013943800000000, -0.0013943800000000, 0.0019921400000000 ] - [ 0.0000310200000000, 0.0000310200000000, 0.0032819200000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0005971900000000 ] - [ 0.0000002700000000, 0.0000002700000000, -0.0004634800000000 ] - [ 0.0000377600000000, 0.0000377600000000, -0.0014953400000000 ] - [ 0.0000002800000000, 0.0000002800000000, -0.0013248900000000 ] - [ -0.0000555800000000, -0.0000555800000000, -0.0012403800000000 ] - [ -0.0000000400000000, -0.0000000400000000, -0.0011964900000000 ] - [ -0.0000001100000000, -0.0000001100000000, -0.0013256800000000 ] - [ 0.0000005200000000, 0.0000005200000000, -0.0014998300000000 ] - [ -0.0000001500000000, -0.0000001500000000, -0.0014471800000000 ] - [ 0.0000009900000000, 0.0000009900000000, -0.0013361400000000 ] - [ -0.0000002000000000, -0.0000002000000000, -0.0011723400000000 ] - [ 0.0001482700000000, 0.0001482700000000, -0.0014973100000000 ] - [ -0.0000013500000000, -0.0000013500000000, -0.0013337900000000 ] - [ -0.0000816400000000, -0.0000816400000000, -0.0017248900000000 ] - [ -0.0051038700000000, -0.0051038700000000, 0.0244431500000000 ] - [ 0.0053274400000000, 0.0053274400000000, -0.0001383600000000 ] - [ 0.0000001800000000, 0.0000001800000000, -0.0018047300000000 ] - [ 0.0000001100000000, 0.0000001100000000, -0.0024996800000000 ] - [ -0.0036747200000000, 0.0040035000000000, 0.0335350800000000 ] - [ 0.0040035000000000, -0.0036747200000000, 0.0335350800000000 ] - [ 0.0000062200000000, 0.0000032700000000, -0.0037978100000000 ] - [ 0.0006460900000000, -0.0004353000000000, -0.0048335900000000 ] - [ -0.0000000400000000, 0.0000013300000000, -0.0035419400000000 ] - [ 0.0000032700000000, 0.0000062200000000, -0.0037978100000000 ] - [ -0.0004353000000000, 0.0006460900000000, -0.0048335900000000 ] - [ 0.0008163700000000, -0.0009266000000000, -0.0021611000000000 ] - [ 0.0000013300000000, -0.0000000400000000, -0.0035419400000000 ] - [ -0.0009266000000000, 0.0008163700000000, -0.0021611000000000 ] - [ -0.0000006600000000, 0.0000010000000000, -0.0036132200000000 ] - [ 0.0000010000000000, -0.0000006600000000, -0.0036132200000000 ] - [ -0.0000004600000000, -0.0000002600000000, -0.0037871800000000 ] - [ -0.0000020900000000, 0.0000020000000000, -0.0037317500000000 ] - [ -0.0000011800000000, -0.0000088200000000, -0.0035397400000000 ] - [ -0.0000002600000000, -0.0000004600000000, -0.0037871800000000 ] - [ 0.0000020000000000, -0.0000020900000000, -0.0037317500000000 ] - [ 0.0000013100000000, -0.0000011000000000, -0.0035214600000000 ] - [ -0.0000088200000000, -0.0000011800000000, -0.0035397400000000 ] - [ -0.0000011000000000, 0.0000013100000000, -0.0035214600000000 ] - [ -0.0082991500000000, 0.0120848900000000, -0.0009906600000000 ] - [ 0.0045306100000000, 0.0045306100000000, -0.0703734700000000 ] - [ 0.0003294500000000, -0.0018551800000000, -0.0115274800000000 ] - [ -0.0106042600000000, 0.0079481300000000, 0.0035397700000000 ] - [ 0.0120848900000000, -0.0082991500000000, -0.0009906600000000 ] - [ 0.0001862900000000, 0.0001862900000000, 0.0023069700000000 ] - [ -0.0018551800000000, 0.0003294500000000, -0.0115274800000000 ] - [ 0.0002338100000000, -0.0003337700000000, 0.0006217100000000 ] - [ -0.0027685500000000, -0.0027685500000000, -0.0067225100000000 ] - [ -0.0000500600000000, -0.0000171000000000, 0.0028234700000000 ] - [ 0.0079481300000000, -0.0106042600000000, 0.0035397700000000 ] - [ 0.0000674600000000, 0.0000674600000000, 0.0011170100000000 ] - [ -0.0003337700000000, 0.0002338100000000, 0.0006217100000000 ] - [ -0.0001104400000000, 0.0001033400000000, 0.0009200300000000 ] - [ -0.0002370300000000, -0.0002370300000000, 0.0005211000000000 ] - [ -0.0000025300000000, -0.0000012800000000, 0.0028783100000000 ] - [ -0.0000171000000000, -0.0000500600000000, 0.0028234700000000 ] - [ 0.0001181800000000, 0.0001181800000000, 0.0011782200000000 ] - [ 0.0001033400000000, -0.0001104400000000, 0.0009200300000000 ] - [ -0.0000608500000000, 0.0000606400000000, 0.0010160700000000 ] - [ -0.0000676800000000, -0.0000676800000000, 0.0011146100000000 ] - [ 0.0000001100000000, -0.0000004000000000, 0.0028130000000000 ] - [ -0.0000012800000000, -0.0000025300000000, 0.0028783100000000 ] - [ -0.0012084600000000, -0.0012084600000000, 0.0029082400000000 ] - [ 0.0000606400000000, -0.0000608500000000, 0.0010160700000000 ] - [ -0.0011104000000000, 0.0014668100000000, 0.0016658000000000 ] - [ -0.0001180200000000, -0.0001180200000000, 0.0011779400000000 ] - [ -0.0000004000000000, 0.0000001100000000, 0.0028130000000000 ] - [ 0.0014668100000000, -0.0011104000000000, 0.0016658000000000 ] - [ 0.0002877900000000, 0.0002877900000000, 0.0005409900000000 ] - [ -0.0000000500000000, 0.0000002500000000, 0.0027700900000000 ] - [ -0.0001521200000000, -0.0001521200000000, 0.0009879200000000 ] - [ -0.0001948900000000, 0.0001950900000000, 0.0010955600000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0029847700000000 ] - [ 0.0000002500000000, -0.0000000500000000, 0.0027700900000000 ] - [ -0.0001519300000000, -0.0001519300000000, 0.0009937000000000 ] - [ 0.0001950900000000, -0.0001948900000000, 0.0010955600000000 ] - [ -0.0000197000000000, 0.0000194700000000, 0.0009090500000000 ] - [ 0.0001516100000000, 0.0001516100000000, 0.0009871200000000 ] - [ 0.0000003200000000, 0.0000003000000000, 0.0029290200000000 ] - [ -0.0000000700000000, 0.0000001200000000, 0.0029847700000000 ] - [ 0.0000600400000000, 0.0000600400000000, 0.0010913300000000 ] - [ 0.0000194700000000, -0.0000197000000000, 0.0009090500000000 ] - [ -0.0001187700000000, 0.0001197300000000, 0.0009216300000000 ] - [ 0.0001548700000000, 0.0001548700000000, 0.0009943600000000 ] - [ 0.0000012300000000, 0.0000036600000000, 0.0028642000000000 ] - [ 0.0000003000000000, 0.0000003200000000, 0.0029290200000000 ] - [ 0.0001072200000000, 0.0001072200000000, 0.0012253300000000 ] - [ 0.0001197300000000, -0.0001187700000000, 0.0009216300000000 ] - [ -0.0000818000000000, 0.0000865300000000, 0.0010391500000000 ] - [ -0.0000596800000000, -0.0000596800000000, 0.0010915300000000 ] - [ 0.0000009700000000, 0.0000782100000000, 0.0024540600000000 ] - [ 0.0000036600000000, 0.0000012300000000, 0.0028642000000000 ] - [ -0.0001416700000000, -0.0001416700000000, 0.0010624900000000 ] - [ 0.0000865300000000, -0.0000818000000000, 0.0010391500000000 ] - [ -0.0000372600000000, 0.0000374300000000, 0.0012185500000000 ] - [ -0.0001129300000000, -0.0001129300000000, 0.0012081100000000 ] - [ 0.0000782100000000, 0.0000009700000000, 0.0024540600000000 ] - [ 0.0000374300000000, -0.0000372600000000, 0.0012185500000000 ] - [ 0.0001420300000000, 0.0001420300000000, 0.0010627900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0013919200000000, 0.0013919200000000, -0.0021760600000000 ] - [ 0.0000836100000000, 0.0000836100000000, -0.0029299600000000 ] - [ -0.0000000200000000, -0.0000000200000000, 0.0004650300000000 ] - [ 0.0000001000000000, 0.0000001000000000, 0.0005993200000000 ] - [ -0.0000366100000000, -0.0000366100000000, 0.0012499500000000 ] - [ -0.0000000400000000, -0.0000000400000000, 0.0013292500000000 ] - [ 0.0000558600000000, 0.0000558600000000, 0.0015737800000000 ] - [ -0.0000001800000000, -0.0000001800000000, 0.0014504500000000 ] - [ -0.0000000600000000, -0.0000000600000000, 0.0013287800000000 ] - [ 0.0000003300000000, 0.0000003300000000, 0.0011755300000000 ] - [ -0.0000001900000000, -0.0000001900000000, 0.0012012100000000 ] - [ -0.0000008300000000, -0.0000008300000000, 0.0013400900000000 ] - [ -0.0000005900000000, -0.0000005900000000, 0.0015048100000000 ] - [ -0.0001506100000000, -0.0001506100000000, 0.0017532500000000 ] - [ 0.0000004300000000, 0.0000004300000000, 0.0013365600000000 ] - [ 0.0000825400000000, 0.0000825400000000, 0.0014028800000000 ] - [ 0.0056448700000000, 0.0056448700000000, -0.0246694500000000 ] - [ -0.0053128400000000, -0.0053128400000000, -0.0004600000000000 ] - [ 0.0000002800000000, 0.0000002800000000, 0.0025040000000000 ] - [ -0.0000002800000000, -0.0000002800000000, 0.0018090600000000 ] - [ 0.0035622700000000, -0.0038652400000000, -0.0335942200000000 ] - [ -0.0038652400000000, 0.0035622700000000, -0.0335942200000000 ] - [ -0.0000062400000000, -0.0000030000000000, 0.0035628500000000 ] - [ -0.0006375100000000, 0.0004294200000000, 0.0046345400000000 ] - [ -0.0000019300000000, 0.0000013500000000, 0.0037987400000000 ] - [ -0.0000030000000000, -0.0000062400000000, 0.0035628500000000 ] - [ 0.0004294200000000, -0.0006375100000000, 0.0046345400000000 ] - [ -0.0008323800000000, 0.0009376700000000, 0.0023450500000000 ] - [ 0.0000013500000000, -0.0000019300000000, 0.0037987400000000 ] - [ 0.0009376700000000, -0.0008323800000000, 0.0023450500000000 ] - [ -0.0000010800000000, 0.0000011800000000, 0.0036167600000000 ] - [ 0.0000011800000000, -0.0000010800000000, 0.0036167600000000 ] - [ 0.0000012300000000, -0.0000006800000000, 0.0035526100000000 ] - [ -0.0000026100000000, 0.0000019500000000, 0.0035322200000000 ] - [ 0.0000015300000000, 0.0000083900000000, 0.0037916200000000 ] - [ -0.0000006800000000, 0.0000012300000000, 0.0035526100000000 ] - [ 0.0000019500000000, -0.0000026100000000, 0.0035322200000000 ] - [ 0.0000010400000000, -0.0000014200000000, 0.0037411800000000 ] - [ 0.0000083900000000, 0.0000015300000000, 0.0037916200000000 ] - [ -0.0000014200000000, 0.0000010400000000, 0.0037411800000000 ] - [ 0.0084128800000000, -0.0122516000000000, 0.0008280300000000 ] - [ -0.0051857600000000, -0.0051857600000000, 0.0709060600000000 ] - [ -0.0003298200000000, 0.0018851700000000, 0.0115934800000000 ] - [ 0.0104589500000000, -0.0078377500000000, -0.0032913300000000 ] - [ -0.0122516000000000, 0.0084128800000000, 0.0008280300000000 ] - [ -0.0003075000000000, -0.0003075000000000, -0.0025119900000000 ] - [ 0.0018851700000000, -0.0003298200000000, 0.0115934800000000 ] - [ -0.0001080100000000, 0.0002097900000000, -0.0007828600000000 ] - [ 0.0027702800000000, 0.0027702800000000, 0.0067053900000000 ] - [ 0.0000513600000000, 0.0000152700000000, -0.0027093400000000 ] - [ -0.0078377500000000, 0.0104589500000000, -0.0032913300000000 ] - [ 0.0000532700000000, 0.0000532700000000, -0.0010465500000000 ] - [ 0.0002097900000000, -0.0001080100000000, -0.0007828600000000 ] - [ -0.0001255800000000, 0.0001328400000000, -0.0011795700000000 ] - [ 0.0003502700000000, 0.0003502700000000, -0.0007558000000000 ] - [ 0.0000024900000000, 0.0000014700000000, -0.0028863600000000 ] - [ 0.0000152700000000, 0.0000513600000000, -0.0027093400000000 ] - [ 0.0001176700000000, 0.0001176700000000, -0.0009229100000000 ] - [ 0.0001328400000000, -0.0001255800000000, -0.0011795700000000 ] - [ -0.0000594700000000, 0.0000602800000000, -0.0010907800000000 ] - [ -0.0000536300000000, -0.0000536300000000, -0.0010433300000000 ] - [ 0.0000002300000000, 0.0000000000000000, -0.0029366100000000 ] - [ 0.0000014700000000, 0.0000024900000000, -0.0028863600000000 ] - [ 0.0011077500000000, 0.0011077500000000, -0.0027854400000000 ] - [ 0.0000602800000000, -0.0000594700000000, -0.0010907800000000 ] - [ 0.0012428600000000, -0.0016000800000000, -0.0014531500000000 ] - [ -0.0001186500000000, -0.0001186500000000, -0.0009232100000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0029366100000000 ] - [ -0.0016000800000000, 0.0012428600000000, -0.0014531500000000 ] - [ -0.0001659400000000, -0.0001659400000000, -0.0003761000000000 ] - [ -0.0000001300000000, 0.0000001400000000, -0.0029914400000000 ] - [ 0.0001941600000000, 0.0001941600000000, -0.0010972000000000 ] - [ 0.0001521500000000, -0.0001521700000000, -0.0009898300000000 ] - [ 0.0000001100000000, -0.0000001500000000, -0.0027764000000000 ] - [ 0.0000001400000000, -0.0000001300000000, -0.0029914400000000 ] - [ 0.0000389600000000, 0.0000389600000000, -0.0012213700000000 ] - [ -0.0001521700000000, 0.0001521500000000, -0.0009898300000000 ] - [ 0.0001414600000000, -0.0001421200000000, -0.0010641600000000 ] - [ -0.0001950800000000, -0.0001950800000000, -0.0010982900000000 ] - [ -0.0000004800000000, -0.0000000300000000, -0.0028179600000000 ] - [ -0.0000001500000000, 0.0000001100000000, -0.0027764000000000 ] - [ 0.0000617500000000, 0.0000617500000000, -0.0010200500000000 ] - [ -0.0001421200000000, 0.0001414600000000, -0.0010641600000000 ] - [ -0.0001174100000000, 0.0001164700000000, -0.0011800700000000 ] - [ -0.0000362500000000, -0.0000362500000000, -0.0012201500000000 ] - [ -0.0000011700000000, -0.0000035500000000, -0.0028692400000000 ] - [ -0.0000000300000000, -0.0000004800000000, -0.0028179600000000 ] - [ 0.0001306600000000, 0.0001306600000000, -0.0009722200000000 ] - [ 0.0001164700000000, -0.0001174100000000, -0.0011800700000000 ] - [ -0.0000394600000000, 0.0000348700000000, -0.0011149600000000 ] - [ -0.0000613800000000, -0.0000613800000000, -0.0010204500000000 ] - [ -0.0000010600000000, -0.0000777400000000, -0.0025769200000000 ] - [ -0.0000035500000000, -0.0000011700000000, -0.0028692400000000 ] - [ 0.0000195900000000, 0.0000195900000000, -0.0009111500000000 ] - [ 0.0000348700000000, -0.0000394600000000, -0.0011149600000000 ] - [ 0.0001539700000000, -0.0001540100000000, -0.0009961100000000 ] - [ -0.0001232300000000, -0.0001232300000000, -0.0009543500000000 ] - [ -0.0000777400000000, -0.0000010600000000, -0.0025769200000000 ] - [ -0.0001540100000000, 0.0001539700000000, -0.0009961100000000 ] - [ -0.0000195500000000, -0.0000195500000000, -0.0009109200000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000030300000000, 0.0000146800000000, 0.0000850700000000 ] - [ -0.0007629500000000, -0.0010507300000000, -0.0018669100000000 ] - [ 0.0000004100000000, -0.0000003100000000, -0.0000186900000000 ] - [ 0.0000005200000000, 0.0000000800000000, 0.0001157200000000 ] - [ -0.0015261300000000, -0.0019589300000000, 0.0031995500000000 ] - [ -0.0000041800000000, 0.0000069100000000, 0.0000154400000000 ] - [ 0.0048301600000000, 0.0005620300000000, 0.0025262200000000 ] - [ -0.0000000300000000, -0.0000000100000000, 0.0002430000000000 ] - [ 0.0000136100000000, -0.0000174900000000, 0.0000776600000000 ] - [ 0.0000012200000000, -0.0000004600000000, -0.0000392300000000 ] - [ 0.0000004800000000, 0.0000000000000000, -0.0000055400000000 ] - [ 0.0000008000000000, 0.0000010600000000, 0.0001217600000000 ] - [ 0.0000001000000000, 0.0000004400000000, 0.0002814400000000 ] - [ 0.0000011300000000, -0.0000010800000000, 0.0002522100000000 ] - [ 0.0000009600000000, -0.0000004100000000, 0.0001215100000000 ] - [ 0.0000009500000000, 0.0000004600000000, -0.0000289200000000 ] - [ 0.0000064700000000, -0.0000676800000000, 0.0007662500000000 ] - [ 0.0089785800000000, 0.0009872000000000, -0.0046082100000000 ] - [ 0.0000002400000000, -0.0000006200000000, 0.0005446200000000 ] - [ 0.0000004800000000, 0.0000002500000000, -0.0001510900000000 ] - [ -0.0000688300000000, 0.0004605300000000, -0.0099355500000000 ] - [ -0.0001087600000000, -0.0000503300000000, 0.0061955200000000 ] - [ 0.0000526500000000, 0.0001212500000000, 0.0075337900000000 ] - [ -0.0028052800000000, -0.0081483700000000, -0.0046099300000000 ] - [ 0.0000013300000000, 0.0000089800000000, 0.0004064100000000 ] - [ -0.0001871000000000, 0.0000859900000000, -0.0055840700000000 ] - [ 0.0037535700000000, 0.0027154200000000, -0.0009328200000000 ] - [ -0.0000017600000000, 0.0000110900000000, 0.0005687600000000 ] - [ -0.0000091600000000, 0.0000023700000000, 0.0005271200000000 ] - [ -0.0000079900000000, 0.0000039900000000, 0.0002922200000000 ] - [ 0.0000021300000000, 0.0000001200000000, 0.0003286800000000 ] - [ -0.0000013100000000, -0.0000005800000000, 0.0003310300000000 ] - [ 0.0000001500000000, -0.0000003700000000, 0.0002114400000000 ] - [ 0.0000015600000000, -0.0000000100000000, 0.0002242500000000 ] - [ -0.0000001000000000, 0.0000001700000000, 0.0004467100000000 ] - [ 0.0000003400000000, 0.0000004800000000, 0.0002061400000000 ] - [ -0.0000005000000000, -0.0000001200000000, 0.0002248100000000 ] - [ 0.0000004100000000, 0.0000007400000000, 0.0004541700000000 ] - [ 0.0000005800000000, 0.0000008100000000, 0.0004758400000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0004242000000000 ] - [ 0.0000976500000000, -0.0001352200000000, 0.0005701600000000 ] - [ 0.0023640900000000, -0.0018666200000000, 0.0001922300000000 ] - [ 0.0024509700000000, 0.0000700200000000, -0.0011108600000000 ] - [ 0.0028590200000000, -0.0080861200000000, -0.0113710200000000 ] - [ 0.0000654600000000, -0.0001123800000000, -0.0009210100000000 ] - [ -0.1205957000000000, 0.0587291500000000, 0.0013626100000000 ] - [ -0.0033981700000000, -0.0002234900000000, -0.0014743700000000 ] - [ -0.0084725000000000, -0.0120673400000000, 0.0003240200000000 ] - [ -0.0017458000000000, 0.0015363500000000, 0.0002344400000000 ] - [ 0.0072519200000000, -0.0060276300000000, -0.0159458100000000 ] - [ 0.0092386100000000, -0.0076779600000000, 0.0215373100000000 ] - [ 0.0025045300000000, -0.0015188300000000, -0.0004083000000000 ] - [ 0.0603547700000000, 0.0098066700000000, 0.0009063700000000 ] - [ 0.0013533800000000, 0.0007937300000000, 0.0001007600000000 ] - [ 0.0348136400000000, -0.0217359100000000, 0.0016566600000000 ] - [ 0.0000623500000000, -0.0001010300000000, 0.0001814600000000 ] - [ 0.0018897500000000, -0.0055100300000000, 0.0109710800000000 ] - [ 0.0001125700000000, 0.0001258200000000, 0.0000282500000000 ] - [ -0.0015553500000000, -0.0007648100000000, 0.0002744900000000 ] - [ -0.0000858600000000, 0.0000383000000000, -0.0001188300000000 ] - [ -0.0018381600000000, 0.0013405500000000, -0.0002317000000000 ] - [ 0.0000048800000000, -0.0000032200000000, -0.0003887600000000 ] - [ 0.0000653800000000, -0.0000809800000000, -0.0008286000000000 ] - [ -0.0000819000000000, -0.0000299300000000, -0.0000084400000000 ] - [ 0.0000799100000000, -0.0000368000000000, -0.0001147000000000 ] - [ 0.0000496600000000, -0.0000955300000000, -0.0000279400000000 ] - [ -0.0000920500000000, -0.0001422500000000, 0.0000288300000000 ] - [ 0.0000026200000000, -0.0000057400000000, -0.0002755600000000 ] - [ -0.0000573500000000, 0.0000967800000000, -0.0000306000000000 ] - [ 0.0001065600000000, 0.0000112200000000, -0.0000045700000000 ] - [ 0.0000006100000000, -0.0000006900000000, -0.0003647500000000 ] - [ 0.0000384100000000, 0.0000365400000000, -0.0001538800000000 ] - [ -0.0000037800000000, 0.0000061500000000, -0.0000363900000000 ] - [ 0.0000006900000000, -0.0000002300000000, -0.0001550000000000 ] - [ 0.0000006000000000, -0.0000003700000000, -0.0003773900000000 ] - [ -0.0000490800000000, -0.0000492500000000, -0.0002135400000000 ] - [ 0.0000047100000000, -0.0000046200000000, -0.0000362800000000 ] - [ 0.0000681800000000, -0.0000687200000000, -0.0001636000000000 ] - [ -0.0000366500000000, -0.0000359200000000, -0.0001539300000000 ] - [ 0.0000005300000000, -0.0000002800000000, -0.0001986200000000 ] - [ 0.0000004800000000, 0.0000001400000000, -0.0001546900000000 ] - [ 0.0000605300000000, 0.0000641400000000, -0.0000614100000000 ] - [ -0.0000667000000000, 0.0000684900000000, -0.0001638300000000 ] - [ -0.0001209200000000, 0.0001172900000000, -0.0002254900000000 ] - [ 0.0000505700000000, 0.0000485500000000, -0.0002136200000000 ] - [ 0.0000008400000000, -0.0000001700000000, -0.0002590100000000 ] - [ 0.0000006300000000, -0.0000000500000000, -0.0001949100000000 ] - [ 0.0001211200000000, 0.0001168500000000, 0.0000333500000000 ] - [ 0.0001214800000000, -0.0001179200000000, -0.0002253900000000 ] - [ -0.0000587100000000, 0.0000643000000000, -0.0001327000000000 ] - [ -0.0000593200000000, -0.0000638000000000, -0.0000614500000000 ] - [ 0.0000027700000000, -0.0000069000000000, -0.0003866000000000 ] - [ 0.0000007600000000, -0.0000004600000000, -0.0002676500000000 ] - [ -0.0000493400000000, -0.0000577000000000, -0.0000168100000000 ] - [ 0.0000598200000000, -0.0000649300000000, -0.0001331500000000 ] - [ 0.0000708700000000, -0.0000636800000000, 0.0000117700000000 ] - [ -0.0001189700000000, -0.0001174900000000, 0.0000336900000000 ] - [ 0.0000050400000000, -0.0000029800000000, -0.0002517300000000 ] - [ -0.0000696500000000, 0.0000628800000000, 0.0000118400000000 ] - [ 0.0000516900000000, 0.0000564800000000, -0.0000170000000000 ]- atom: 46 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000027600000000, -0.0000145400000000, -0.0002205700000000 ] - [ 0.0007140000000000, 0.0010186200000000, 0.0019740300000000 ] - [ 0.0000001100000000, -0.0000001100000000, -0.0001163000000000 ] - [ -0.0000002500000000, -0.0000001800000000, 0.0000191000000000 ] - [ 0.0014286100000000, 0.0019077500000000, -0.0033860200000000 ] - [ 0.0000052900000000, -0.0000078000000000, -0.0000139400000000 ] - [ -0.0047091600000000, -0.0004255600000000, -0.0019655000000000 ] - [ -0.0000003000000000, -0.0000002000000000, 0.0000066200000000 ] - [ -0.0000147400000000, 0.0000177800000000, -0.0000769700000000 ] - [ -0.0000002000000000, 0.0000001900000000, -0.0002809700000000 ] - [ 0.0000003100000000, 0.0000001700000000, -0.0002484900000000 ] - [ 0.0000005500000000, 0.0000013200000000, -0.0001214300000000 ] - [ 0.0000000700000000, 0.0000004500000000, 0.0000364300000000 ] - [ 0.0000000700000000, 0.0000001500000000, -0.0000012500000000 ] - [ 0.0000004400000000, -0.0000003600000000, -0.0001214700000000 ] - [ 0.0000005700000000, -0.0000002000000000, -0.0002904200000000 ] - [ -0.0000047600000000, 0.0000687600000000, -0.0000756100000000 ] - [ -0.0087092200000000, -0.0007217000000000, 0.0034715900000000 ] - [ 0.0000001900000000, -0.0000005600000000, 0.0001508600000000 ] - [ -0.0000001100000000, 0.0000005900000000, -0.0005464800000000 ] - [ 0.0000720600000000, -0.0004654700000000, 0.0100296900000000 ] - [ 0.0001082900000000, 0.0000491300000000, -0.0062397200000000 ] - [ -0.0000445600000000, -0.0001262900000000, -0.0078738000000000 ] - [ 0.0005266800000000, 0.0097921200000000, 0.0045238500000000 ] - [ 0.0000018400000000, -0.0000078400000000, -0.0001543300000000 ] - [ 0.0001822100000000, -0.0000843400000000, 0.0053699400000000 ] - [ -0.0029467300000000, -0.0043823500000000, 0.0007653800000000 ] - [ 0.0000040500000000, -0.0000130100000000, -0.0003538900000000 ] - [ 0.0000079500000000, -0.0000041600000000, -0.0002792300000000 ] - [ 0.0000065300000000, -0.0000022800000000, -0.0000776000000000 ] - [ 0.0000024800000000, -0.0000000800000000, -0.0003313100000000 ] - [ -0.0000013600000000, -0.0000010300000000, -0.0003347100000000 ] - [ 0.0000000300000000, -0.0000008000000000, -0.0004650800000000 ] - [ 0.0000014300000000, 0.0000001800000000, -0.0004409500000000 ] - [ -0.0000007000000000, -0.0000007200000000, -0.0001934300000000 ] - [ 0.0000008400000000, 0.0000006500000000, -0.0004637700000000 ] - [ -0.0000009400000000, -0.0000001800000000, -0.0004411800000000 ] - [ -0.0000003000000000, -0.0000008200000000, -0.0002401000000000 ] - [ 0.0000022100000000, 0.0000002100000000, -0.0002280600000000 ] - [ 0.0000009000000000, 0.0000001700000000, -0.0002132600000000 ] - [ -0.0000979400000000, 0.0001373000000000, -0.0007860300000000 ] - [ -0.0023448700000000, 0.0019233400000000, -0.0003008200000000 ] - [ -0.0025020200000000, -0.0000089500000000, 0.0012416000000000 ] - [ -0.0029725400000000, 0.0081264100000000, 0.0115671600000000 ] - [ -0.0000655600000000, 0.0001129600000000, 0.0007074700000000 ] - [ 0.1218131400000000, -0.0596247300000000, -0.0015228200000000 ] - [ 0.0034417600000000, 0.0001793600000000, 0.0015914600000000 ] - [ 0.0088066700000000, 0.0121724000000000, -0.0004789100000000 ] - [ 0.0017151200000000, -0.0015885200000000, -0.0003522800000000 ] - [ -0.0072365000000000, 0.0060696500000000, 0.0163463400000000 ] - [ -0.0092120400000000, 0.0077301500000000, -0.0216474000000000 ] - [ -0.0024043300000000, 0.0016593300000000, 0.0004741600000000 ] - [ -0.0604822000000000, -0.0098074000000000, -0.0010291500000000 ] - [ -0.0016010900000000, -0.0005526800000000, -0.0003645500000000 ] - [ -0.0348810400000000, 0.0220150000000000, -0.0019143900000000 ] - [ -0.0000613100000000, 0.0001018400000000, -0.0001830600000000 ] - [ -0.0019830200000000, 0.0055604700000000, -0.0108503900000000 ] - [ 0.0001235700000000, 0.0001165200000000, 0.0002312800000000 ] - [ 0.0018034300000000, 0.0005285900000000, -0.0005334700000000 ] - [ -0.0000418400000000, 0.0000837200000000, 0.0000488900000000 ] - [ 0.0017306000000000, -0.0014787900000000, 0.0003052400000000 ] - [ -0.0000040000000000, 0.0000036300000000, 0.0002582300000000 ] - [ -0.0000656900000000, 0.0000822900000000, 0.0008413500000000 ] - [ -0.0000325300000000, -0.0000967600000000, 0.0001555600000000 ] - [ 0.0000483700000000, -0.0000836200000000, 0.0000449900000000 ] - [ 0.0000714300000000, -0.0000134600000000, 0.0002538900000000 ] - [ -0.0001426800000000, -0.0000997400000000, 0.0002309600000000 ] - [ -0.0000019000000000, 0.0000056600000000, 0.0001469100000000 ] - [ -0.0000620100000000, 0.0000149300000000, 0.0002564700000000 ] - [ 0.0000094300000000, 0.0001156800000000, 0.0001522700000000 ] - [ -0.0000001900000000, 0.0000002000000000, 0.0001541500000000 ] - [ 0.0000075500000000, 0.0000041300000000, 0.0000377100000000 ] - [ -0.0000352800000000, 0.0000390800000000, 0.0001542800000000 ] - [ 0.0000003700000000, -0.0000000200000000, 0.0003736500000000 ] - [ -0.0000001400000000, 0.0000004300000000, 0.0001624100000000 ] - [ -0.0000669300000000, -0.0000666800000000, -0.0000103300000000 ] - [ 0.0000357100000000, -0.0000369800000000, 0.0001543200000000 ] - [ 0.0000521200000000, -0.0000531200000000, 0.0000169800000000 ] - [ -0.0000067700000000, -0.0000031900000000, 0.0000378000000000 ] - [ 0.0000002300000000, -0.0000000800000000, 0.0003296600000000 ] - [ 0.0000001700000000, 0.0000003700000000, 0.0003716700000000 ] - [ 0.0000613400000000, 0.0000630300000000, 0.0001322100000000 ] - [ -0.0000510900000000, 0.0000531200000000, 0.0000166800000000 ] - [ -0.0001200700000000, 0.0001185500000000, -0.0000326500000000 ] - [ 0.0000677200000000, 0.0000664400000000, -0.0000104300000000 ] - [ 0.0000001300000000, 0.0000005800000000, 0.0002574300000000 ] - [ 0.0000002700000000, 0.0000001500000000, 0.0003311100000000 ] - [ 0.0001142500000000, 0.0001255000000000, 0.0002256500000000 ] - [ 0.0001200500000000, -0.0001188700000000, -0.0000325500000000 ] - [ -0.0000673200000000, 0.0000551100000000, 0.0000631100000000 ] - [ -0.0000609400000000, -0.0000622400000000, 0.0001321400000000 ] - [ -0.0000017100000000, 0.0000066800000000, 0.0002565000000000 ] - [ -0.0000000100000000, 0.0000005600000000, 0.0002733300000000 ] - [ -0.0000713100000000, -0.0000631400000000, 0.0001648600000000 ] - [ 0.0000689700000000, -0.0000554000000000, 0.0000637300000000 ] - [ 0.0000471200000000, -0.0000532600000000, 0.0002140000000000 ] - [ -0.0001147200000000, -0.0001240600000000, 0.0002261400000000 ] - [ -0.0000044500000000, 0.0000041400000000, 0.0001163100000000 ] - [ -0.0000458400000000, 0.0000524800000000, 0.0002129600000000 ] - [ 0.0000707700000000, 0.0000642400000000, 0.0001645400000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000289600000000, -0.0000289600000000, -0.0007081100000000 ] - [ -0.0014376600000000, -0.0014376600000000, 0.0017422600000000 ] - [ 0.0000000700000000, 0.0000000700000000, -0.0006312300000000 ] - [ -0.0000003800000000, -0.0000003800000000, -0.0004965500000000 ] - [ 0.0033290400000000, 0.0033290400000000, 0.0012353000000000 ] - [ 0.0000494500000000, 0.0000494500000000, -0.0015789600000000 ] - [ 0.0023769600000000, 0.0023769600000000, 0.0124873300000000 ] - [ 0.0000000700000000, 0.0000000700000000, -0.0012898500000000 ] - [ -0.0000672200000000, -0.0000672200000000, -0.0015747200000000 ] - [ 0.0000002200000000, 0.0000002200000000, -0.0015971500000000 ] - [ -0.0000002600000000, -0.0000002600000000, -0.0015291000000000 ] - [ 0.0000001800000000, 0.0000001800000000, -0.0014033400000000 ] - [ -0.0000002200000000, -0.0000002200000000, -0.0012547200000000 ] - [ 0.0000016800000000, 0.0000016800000000, -0.0012983300000000 ] - [ -0.0000006100000000, -0.0000006100000000, -0.0014027600000000 ] - [ -0.0000013600000000, -0.0000013600000000, -0.0016008200000000 ] - [ 0.0001935900000000, 0.0001935900000000, -0.0023749100000000 ] - [ -0.0045747200000000, -0.0045747200000000, 0.0208623800000000 ] - [ 0.0000001400000000, 0.0000001400000000, -0.0019411000000000 ] - [ -0.0000001900000000, -0.0000001900000000, -0.0026354300000000 ] - [ 0.0005108700000000, -0.0006524200000000, -0.0028435100000000 ] - [ -0.0006524200000000, 0.0005108700000000, -0.0028435100000000 ] - [ -0.0005887200000000, 0.0007420600000000, -0.0039889400000000 ] - [ 0.0023502600000000, -0.0024610600000000, 0.0327809700000000 ] - [ 0.0000013600000000, 0.0000071400000000, -0.0037702200000000 ] - [ 0.0007420600000000, -0.0005887200000000, -0.0039889400000000 ] - [ -0.0024610600000000, 0.0023502600000000, 0.0327809700000000 ] - [ -0.0000002800000000, -0.0000042400000000, -0.0037156800000000 ] - [ 0.0000071400000000, 0.0000013600000000, -0.0037702200000000 ] - [ -0.0000042400000000, -0.0000002800000000, -0.0037156800000000 ] - [ -0.0000007400000000, 0.0000009700000000, -0.0038397700000000 ] - [ 0.0000009700000000, -0.0000007400000000, -0.0038397700000000 ] - [ 0.0000003800000000, -0.0000007800000000, -0.0040166500000000 ] - [ -0.0000020700000000, 0.0000014400000000, -0.0039608900000000 ] - [ -0.0000002600000000, -0.0000006000000000, -0.0037740800000000 ] - [ -0.0000007800000000, 0.0000003800000000, -0.0040166500000000 ] - [ 0.0000014400000000, -0.0000020700000000, -0.0039608900000000 ] - [ 0.0000016800000000, -0.0000011200000000, -0.0037478000000000 ] - [ -0.0000006000000000, -0.0000002600000000, -0.0037740800000000 ] - [ -0.0000011200000000, 0.0000016800000000, -0.0037478000000000 ] - [ 0.0000215900000000, 0.0000369100000000, 0.0025308200000000 ] - [ -0.0008435700000000, -0.0008435700000000, 0.0023448900000000 ] - [ -0.0011546200000000, 0.0016890800000000, 0.0016079800000000 ] - [ -0.0085025800000000, 0.0115823800000000, 0.0001214900000000 ] - [ 0.0000369100000000, 0.0000215900000000, 0.0025308200000000 ] - [ 0.0009789400000000, 0.0009789400000000, -0.0748534000000000 ] - [ 0.0016890800000000, -0.0011546200000000, 0.0016079800000000 ] - [ 0.0004025700000000, -0.0006824400000000, -0.0124045300000000 ] - [ 0.0002205100000000, 0.0002205100000000, 0.0005914600000000 ] - [ -0.0094666400000000, 0.0075866300000000, 0.0018632500000000 ] - [ 0.0115823800000000, -0.0085025800000000, 0.0001214900000000 ] - [ 0.0006292000000000, 0.0006292000000000, 0.0026335600000000 ] - [ -0.0006824400000000, 0.0004025700000000, -0.0124045300000000 ] - [ 0.0003504100000000, -0.0004729500000000, 0.0008597400000000 ] - [ -0.0017040300000000, -0.0017040300000000, -0.0062762200000000 ] - [ -0.0000507100000000, -0.0000081300000000, 0.0028549400000000 ] - [ 0.0075866300000000, -0.0094666400000000, 0.0018632500000000 ] - [ 0.0001239400000000, 0.0001239400000000, 0.0012820700000000 ] - [ -0.0004729500000000, 0.0003504100000000, 0.0008597400000000 ] - [ -0.0000491400000000, 0.0000438200000000, 0.0010892700000000 ] - [ -0.0003421700000000, -0.0003421700000000, 0.0010073300000000 ] - [ -0.0000027500000000, -0.0000013000000000, 0.0029749500000000 ] - [ -0.0000081300000000, -0.0000507100000000, 0.0028549400000000 ] - [ -0.0001647400000000, -0.0001647400000000, 0.0011636700000000 ] - [ 0.0000438200000000, -0.0000491400000000, 0.0010892700000000 ] - [ -0.0000827100000000, 0.0000854700000000, 0.0013338000000000 ] - [ -0.0001234400000000, -0.0001234400000000, 0.0012736900000000 ] - [ -0.0000013000000000, -0.0000027500000000, 0.0029749500000000 ] - [ 0.0000854700000000, -0.0000827100000000, 0.0013338000000000 ] - [ 0.0001502100000000, 0.0001502100000000, 0.0011483700000000 ] - [ -0.0000001600000000, -0.0000003400000000, 0.0029481500000000 ] - [ -0.0001642900000000, -0.0001642900000000, 0.0010535600000000 ] - [ -0.0002047300000000, 0.0002048100000000, 0.0011602700000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0031647100000000 ] - [ -0.0000003400000000, -0.0000001600000000, 0.0029481500000000 ] - [ -0.0001581900000000, -0.0001581900000000, 0.0010625600000000 ] - [ 0.0002048100000000, -0.0002047300000000, 0.0011602700000000 ] - [ -0.0000252700000000, 0.0000247800000000, 0.0009708500000000 ] - [ 0.0001636100000000, 0.0001636100000000, 0.0010525000000000 ] - [ -0.0000001900000000, 0.0000000400000000, 0.0031125200000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0031647100000000 ] - [ 0.0000596900000000, 0.0000596900000000, 0.0011536300000000 ] - [ 0.0000247800000000, -0.0000252700000000, 0.0009708500000000 ] - [ -0.0001182300000000, 0.0001181500000000, 0.0009845300000000 ] - [ 0.0001611900000000, 0.0001611900000000, 0.0010635100000000 ] - [ 0.0000002500000000, 0.0000002100000000, 0.0030682900000000 ] - [ 0.0000000400000000, -0.0000001900000000, 0.0031125200000000 ] - [ 0.0001183400000000, 0.0001183400000000, 0.0012438100000000 ] - [ 0.0001181500000000, -0.0001182300000000, 0.0009845300000000 ] - [ -0.0000620700000000, 0.0000625200000000, 0.0010834700000000 ] - [ -0.0000593500000000, -0.0000593500000000, 0.0011535000000000 ] - [ 0.0000007400000000, 0.0000031900000000, 0.0029619100000000 ] - [ 0.0000002100000000, 0.0000002500000000, 0.0030682900000000 ] - [ -0.0001462200000000, -0.0001462200000000, 0.0011251600000000 ] - [ 0.0000625200000000, -0.0000620700000000, 0.0010834700000000 ] - [ -0.0000426200000000, 0.0000420000000000, 0.0012882300000000 ] - [ -0.0001177700000000, -0.0001177700000000, 0.0012442700000000 ] - [ 0.0000031900000000, 0.0000007400000000, 0.0029619100000000 ] - [ 0.0000420000000000, -0.0000426200000000, 0.0012882300000000 ] - [ 0.0001465100000000, 0.0001465100000000, 0.0011257400000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000299800000000, 0.0000299800000000, 0.0005753900000000 ] - [ 0.0014334200000000, 0.0014334200000000, -0.0016631400000000 ] - [ -0.0000000200000000, -0.0000000200000000, 0.0004973600000000 ] - [ 0.0000003300000000, 0.0000003300000000, 0.0006313200000000 ] - [ -0.0033426100000000, -0.0033426100000000, -0.0013811100000000 ] - [ -0.0000478600000000, -0.0000478600000000, 0.0015793200000000 ] - [ -0.0020764600000000, -0.0020764600000000, -0.0116154700000000 ] - [ -0.0000002200000000, -0.0000002200000000, 0.0015409100000000 ] - [ 0.0000652200000000, 0.0000652200000000, 0.0015747300000000 ] - [ 0.0000006800000000, 0.0000006800000000, 0.0012690200000000 ] - [ -0.0000001200000000, -0.0000001200000000, 0.0012808700000000 ] - [ 0.0000001800000000, 0.0000001800000000, 0.0014042300000000 ] - [ -0.0000003900000000, -0.0000003900000000, 0.0015856000000000 ] - [ -0.0000006500000000, -0.0000006500000000, 0.0015483700000000 ] - [ -0.0000003100000000, -0.0000003100000000, 0.0014025100000000 ] - [ 0.0000006000000000, 0.0000006000000000, 0.0012727000000000 ] - [ -0.0001991700000000, -0.0001991700000000, 0.0030747200000000 ] - [ 0.0050733100000000, 0.0050733100000000, -0.0224030500000000 ] - [ 0.0000003000000000, 0.0000003000000000, 0.0026359500000000 ] - [ 0.0000002400000000, 0.0000002400000000, 0.0019411600000000 ] - [ -0.0005219000000000, 0.0006573500000000, 0.0028211700000000 ] - [ 0.0006573500000000, -0.0005219000000000, 0.0028211700000000 ] - [ 0.0005826400000000, -0.0007365000000000, 0.0037503800000000 ] - [ -0.0021482100000000, 0.0023203600000000, -0.0330261000000000 ] - [ -0.0000032800000000, -0.0000045400000000, 0.0040207800000000 ] - [ -0.0007365000000000, 0.0005826400000000, 0.0037503800000000 ] - [ 0.0023203600000000, -0.0021482100000000, -0.0330261000000000 ] - [ -0.0000027000000000, 0.0000079900000000, 0.0039300000000000 ] - [ -0.0000045400000000, -0.0000032800000000, 0.0040207800000000 ] - [ 0.0000079900000000, -0.0000027000000000, 0.0039300000000000 ] - [ -0.0000008100000000, 0.0000011500000000, 0.0038364300000000 ] - [ 0.0000011500000000, -0.0000008100000000, 0.0038364300000000 ] - [ 0.0000003700000000, -0.0000003300000000, 0.0037763900000000 ] - [ -0.0000024700000000, 0.0000021000000000, 0.0037544400000000 ] - [ 0.0000014300000000, -0.0000005200000000, 0.0040195100000000 ] - [ -0.0000003300000000, 0.0000003700000000, 0.0037763900000000 ] - [ 0.0000021000000000, -0.0000024700000000, 0.0037544400000000 ] - [ 0.0000005800000000, -0.0000010600000000, 0.0039624600000000 ] - [ -0.0000005200000000, 0.0000014300000000, 0.0040195100000000 ] - [ -0.0000010600000000, 0.0000005800000000, 0.0039624600000000 ] - [ -0.0000222300000000, -0.0000352300000000, -0.0027439700000000 ] - [ 0.0009015200000000, 0.0009015200000000, -0.0024741700000000 ] - [ 0.0011269700000000, -0.0016630600000000, -0.0015102800000000 ] - [ 0.0086258800000000, -0.0117510300000000, 0.0001155800000000 ] - [ -0.0000352300000000, -0.0000222300000000, -0.0027439700000000 ] - [ -0.0019115700000000, -0.0019115700000000, 0.0749478300000000 ] - [ -0.0016630600000000, 0.0011269700000000, -0.0015102800000000 ] - [ -0.0002522100000000, 0.0005117000000000, 0.0122305000000000 ] - [ -0.0002606900000000, -0.0002606900000000, -0.0006853300000000 ] - [ 0.0093303700000000, -0.0074810200000000, -0.0017202200000000 ] - [ -0.0117510300000000, 0.0086258800000000, 0.0001155800000000 ] - [ -0.0004990500000000, -0.0004990500000000, -0.0025418800000000 ] - [ 0.0005117000000000, -0.0002522100000000, 0.0122305000000000 ] - [ -0.0005792800000000, 0.0007017500000000, -0.0011219000000000 ] - [ 0.0018676100000000, 0.0018676100000000, 0.0061072800000000 ] - [ 0.0000509500000000, 0.0000076000000000, -0.0028606400000000 ] - [ -0.0074810200000000, 0.0093303700000000, -0.0017202200000000 ] - [ 0.0001115600000000, 0.0001115600000000, -0.0010260500000000 ] - [ 0.0007017500000000, -0.0005792800000000, -0.0011219000000000 ] - [ -0.0000709100000000, 0.0000770100000000, -0.0011635100000000 ] - [ 0.0002200600000000, 0.0002200600000000, -0.0009439900000000 ] - [ 0.0000030400000000, 0.0000010200000000, -0.0030980700000000 ] - [ 0.0000076000000000, 0.0000509500000000, -0.0028606400000000 ] - [ 0.0000432400000000, 0.0000432400000000, -0.0010122700000000 ] - [ 0.0000770100000000, -0.0000709100000000, -0.0011635100000000 ] - [ 0.0001988400000000, -0.0002010000000000, -0.0011110300000000 ] - [ -0.0001131400000000, -0.0001131400000000, -0.0010178600000000 ] - [ 0.0000010200000000, 0.0000030400000000, -0.0030980700000000 ] - [ -0.0002010000000000, 0.0001988400000000, -0.0011110300000000 ] - [ -0.0000285600000000, -0.0000285600000000, -0.0009974800000000 ] - [ 0.0000000900000000, 0.0000006200000000, -0.0031652000000000 ] - [ 0.0002056900000000, 0.0002056900000000, -0.0011624700000000 ] - [ 0.0001623500000000, -0.0001621100000000, -0.0010542000000000 ] - [ 0.0000003800000000, -0.0000000700000000, -0.0029546300000000 ] - [ 0.0000006200000000, 0.0000000900000000, -0.0031652000000000 ] - [ 0.0000449400000000, 0.0000449400000000, -0.0012897000000000 ] - [ -0.0001621100000000, 0.0001623500000000, -0.0010542000000000 ] - [ 0.0001464600000000, -0.0001467500000000, -0.0011254000000000 ] - [ -0.0002062300000000, -0.0002062300000000, -0.0011630600000000 ] - [ -0.0000000600000000, 0.0000002300000000, -0.0029963300000000 ] - [ -0.0000000700000000, 0.0000003800000000, -0.0029546300000000 ] - [ 0.0000620100000000, 0.0000620100000000, -0.0010820700000000 ] - [ -0.0001467500000000, 0.0001464600000000, -0.0011254000000000 ] - [ -0.0001177400000000, 0.0001179100000000, -0.0012426000000000 ] - [ -0.0000423000000000, -0.0000423000000000, -0.0012888000000000 ] - [ -0.0000002000000000, 0.0000000000000000, -0.0030702400000000 ] - [ 0.0000002300000000, -0.0000000600000000, -0.0029963300000000 ] - [ 0.0001192500000000, 0.0001192500000000, -0.0009893900000000 ] - [ 0.0001179100000000, -0.0001177400000000, -0.0012426000000000 ] - [ -0.0000594900000000, 0.0000589900000000, -0.0011582100000000 ] - [ -0.0000614600000000, -0.0000614600000000, -0.0010822500000000 ] - [ -0.0000007000000000, -0.0000028800000000, -0.0030868100000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0030702400000000 ] - [ 0.0000244700000000, 0.0000244700000000, -0.0009732900000000 ] - [ 0.0000589900000000, -0.0000594900000000, -0.0011582100000000 ] - [ 0.0001595100000000, -0.0001586700000000, -0.0010650700000000 ] - [ -0.0001181900000000, -0.0001181900000000, -0.0009895900000000 ] - [ -0.0000028800000000, -0.0000007000000000, -0.0030868100000000 ] - [ -0.0001586700000000, 0.0001595100000000, -0.0010650700000000 ] - [ -0.0000242600000000, -0.0000242600000000, -0.0009733300000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000224000000000, -0.0000038600000000, -0.0000053300000000 ] - [ 0.0008608200000000, 0.0008093000000000, -0.0011212000000000 ] - [ -0.0000001900000000, -0.0000000500000000, -0.0000258800000000 ] - [ -0.0000002200000000, -0.0000000500000000, 0.0001090100000000 ] - [ 0.0037442500000000, 0.0002123400000000, -0.0022348500000000 ] - [ 0.0000152200000000, 0.0000196000000000, 0.0001575100000000 ] - [ -0.0001273800000000, 0.0021997500000000, -0.0033628900000000 ] - [ -0.0000004000000000, 0.0000002600000000, 0.0002309200000000 ] - [ -0.0000099500000000, -0.0000067600000000, 0.0002173700000000 ] - [ -0.0000005100000000, -0.0000006200000000, -0.0000510200000000 ] - [ -0.0000001400000000, 0.0000001200000000, -0.0000231900000000 ] - [ 0.0000004700000000, 0.0000016300000000, 0.0001043100000000 ] - [ -0.0000004400000000, 0.0000004500000000, 0.0002633400000000 ] - [ -0.0000003000000000, -0.0000002700000000, 0.0002293100000000 ] - [ 0.0000001300000000, -0.0000004200000000, 0.0001036600000000 ] - [ 0.0000007800000000, -0.0000001400000000, -0.0000530500000000 ] - [ -0.0000626700000000, 0.0000277400000000, 0.0004979200000000 ] - [ -0.0008296300000000, 0.0034539300000000, 0.0047548400000000 ] - [ 0.0000003300000000, -0.0000001300000000, 0.0005152800000000 ] - [ -0.0000002800000000, 0.0000002500000000, -0.0001791200000000 ] - [ -0.0005007600000000, -0.0003079300000000, -0.0091210900000000 ] - [ 0.0003505400000000, 0.0002141800000000, 0.0089519900000000 ] - [ -0.0001576100000000, -0.0000639000000000, 0.0074457500000000 ] - [ -0.0067774700000000, -0.0119661800000000, -0.0024434300000000 ] - [ -0.0000096900000000, -0.0000055000000000, 0.0003192700000000 ] - [ 0.0000090600000000, -0.0002074400000000, -0.0085753200000000 ] - [ 0.0039598700000000, 0.0038828700000000, -0.0015971600000000 ] - [ -0.0000174300000000, -0.0000071700000000, 0.0005715400000000 ] - [ -0.0000015700000000, -0.0000126500000000, 0.0004927500000000 ] - [ 0.0000057800000000, -0.0000031500000000, 0.0002187100000000 ] - [ 0.0000012400000000, 0.0000000300000000, 0.0002798000000000 ] - [ -0.0000017100000000, -0.0000010400000000, 0.0002833700000000 ] - [ -0.0000006100000000, -0.0000008300000000, 0.0001627200000000 ] - [ 0.0000007100000000, -0.0000000200000000, 0.0001758100000000 ] - [ -0.0000019600000000, -0.0000008500000000, 0.0003970300000000 ] - [ -0.0000005100000000, 0.0000002500000000, 0.0001570400000000 ] - [ -0.0000011200000000, 0.0000001700000000, 0.0001761900000000 ] - [ -0.0000014200000000, -0.0000004900000000, 0.0004085000000000 ] - [ 0.0000006900000000, 0.0000000300000000, 0.0004276500000000 ] - [ 0.0000001700000000, -0.0000008400000000, 0.0003723500000000 ] - [ 0.0001291000000000, 0.0001523800000000, 0.0005787600000000 ] - [ 0.0015167500000000, -0.0012805300000000, 0.0001129900000000 ] - [ 0.0032411000000000, 0.0020662100000000, -0.0010955000000000 ] - [ 0.0068796600000000, 0.0075920500000000, -0.0182255500000000 ] - [ 0.0000273800000000, 0.0000668300000000, -0.0012018000000000 ] - [ -0.0087636800000000, 0.0098639100000000, 0.0002200200000000 ] - [ -0.0022601400000000, -0.0018673500000000, -0.0001696200000000 ] - [ -0.1162690600000000, -0.0590006100000000, 0.0029315800000000 ] - [ -0.0016422400000000, 0.0012722500000000, 0.0002121700000000 ] - [ 0.0041422600000000, 0.0080386500000000, -0.0143504700000000 ] - [ 0.0039332100000000, 0.0085146500000000, 0.0172611500000000 ] - [ 0.0019011100000000, -0.0007566900000000, -0.0004232100000000 ] - [ 0.0403296500000000, 0.0306193400000000, 0.0007267200000000 ] - [ 0.0029594100000000, 0.0019761800000000, 0.0001142900000000 ] - [ 0.0606092700000000, -0.0121247100000000, 0.0004713900000000 ] - [ 0.0000697300000000, 0.0001104300000000, 0.0004921500000000 ] - [ 0.0068764700000000, 0.0073661000000000, 0.0190406600000000 ] - [ 0.0000898700000000, 0.0001533500000000, 0.0000319300000000 ] - [ -0.0021147300000000, -0.0017573500000000, 0.0000063100000000 ] - [ -0.0000710300000000, 0.0000514200000000, -0.0001113600000000 ] - [ -0.0021571600000000, 0.0007238400000000, -0.0005802000000000 ] - [ 0.0000029500000000, 0.0000071500000000, -0.0003527200000000 ] - [ 0.0000761600000000, 0.0001240100000000, -0.0007816100000000 ] - [ -0.0001024400000000, -0.0000160600000000, 0.0000024600000000 ] - [ 0.0000932500000000, -0.0000312000000000, -0.0001123300000000 ] - [ 0.0000358800000000, -0.0000883900000000, 0.0000078300000000 ] - [ -0.0000991900000000, -0.0001524300000000, 0.0000274200000000 ] - [ 0.0000045400000000, 0.0000052200000000, -0.0002166000000000 ] - [ -0.0000127300000000, 0.0001085100000000, 0.0000221100000000 ] - [ 0.0000975200000000, 0.0000160600000000, 0.0000086300000000 ] - [ -0.0000000200000000, 0.0000002700000000, -0.0003237500000000 ] - [ 0.0000361700000000, 0.0000342500000000, -0.0001393900000000 ] - [ -0.0000068400000000, 0.0000091800000000, -0.0000228500000000 ] - [ -0.0000000300000000, -0.0000001200000000, -0.0001161400000000 ] - [ 0.0000000600000000, 0.0000004100000000, -0.0003404200000000 ] - [ -0.0000515700000000, -0.0000500400000000, -0.0001983700000000 ] - [ 0.0000064400000000, -0.0000074900000000, -0.0000227800000000 ] - [ 0.0000650800000000, -0.0000672500000000, -0.0001505600000000 ] - [ -0.0000359800000000, -0.0000335200000000, -0.0001394100000000 ] - [ -0.0000000500000000, -0.0000001600000000, -0.0001607200000000 ] - [ -0.0000000800000000, 0.0000002900000000, -0.0001158700000000 ] - [ 0.0000599100000000, 0.0000644800000000, -0.0000468400000000 ] - [ -0.0000648200000000, 0.0000671000000000, -0.0001508300000000 ] - [ -0.0001219200000000, 0.0001172800000000, -0.0002110000000000 ] - [ 0.0000514600000000, 0.0000494400000000, -0.0001985000000000 ] - [ 0.0000002500000000, 0.0000005200000000, -0.0002198200000000 ] - [ -0.0000000600000000, 0.0000000900000000, -0.0001561800000000 ] - [ 0.0001212600000000, 0.0001164900000000, 0.0000473000000000 ] - [ 0.0001212300000000, -0.0001177600000000, -0.0002108700000000 ] - [ -0.0000591300000000, 0.0000645300000000, -0.0001177400000000 ] - [ -0.0000601900000000, -0.0000640600000000, -0.0000468600000000 ] - [ 0.0000052200000000, 0.0000042800000000, -0.0003656000000000 ] - [ 0.0000002100000000, 0.0000004100000000, -0.0002301300000000 ] - [ -0.0000489500000000, -0.0000591100000000, -0.0000037300000000 ] - [ 0.0000608100000000, -0.0000639300000000, -0.0001175800000000 ] - [ 0.0000706000000000, -0.0000608300000000, 0.0000262200000000 ] - [ -0.0001218400000000, -0.0001164100000000, 0.0000482800000000 ] - [ 0.0000024900000000, 0.0000059500000000, -0.0002148400000000 ] - [ -0.0000692000000000, 0.0000609500000000, 0.0000256200000000 ] - [ 0.0000481400000000, 0.0000589400000000, -0.0000046100000000 ]- atom: 48 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000233600000000, 0.0000039900000000, -0.0001301000000000 ] - [ -0.0009325200000000, -0.0007436100000000, 0.0011528800000000 ] - [ -0.0000003800000000, -0.0000003600000000, -0.0001090000000000 ] - [ -0.0000004500000000, -0.0000000200000000, 0.0000270900000000 ] - [ -0.0038967400000000, -0.0000619200000000, 0.0022227900000000 ] - [ -0.0000153500000000, -0.0000204400000000, -0.0001535100000000 ] - [ 0.0002559900000000, -0.0022801100000000, 0.0037745100000000 ] - [ -0.0000012100000000, -0.0000006400000000, 0.0000211900000000 ] - [ 0.0000076400000000, 0.0000070200000000, -0.0002145700000000 ] - [ -0.0000004200000000, -0.0000000600000000, -0.0002656100000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0002280300000000 ] - [ -0.0000005100000000, 0.0000006200000000, -0.0001003800000000 ] - [ -0.0000005600000000, 0.0000004300000000, 0.0000563000000000 ] - [ 0.0000003200000000, -0.0000004300000000, 0.0000236900000000 ] - [ -0.0000002500000000, -0.0000002600000000, -0.0001010500000000 ] - [ -0.0000004000000000, -0.0000000400000000, -0.0002633600000000 ] - [ 0.0000618700000000, -0.0000268500000000, 0.0001975100000000 ] - [ 0.0010111700000000, -0.0035588200000000, -0.0055920300000000 ] - [ -0.0000008400000000, -0.0000011100000000, 0.0001823800000000 ] - [ -0.0000006200000000, 0.0000003200000000, -0.0005134600000000 ] - [ 0.0004994000000000, 0.0003090500000000, 0.0091247800000000 ] - [ -0.0003503300000000, -0.0002152800000000, -0.0089088100000000 ] - [ 0.0001640600000000, 0.0000661300000000, -0.0076936500000000 ] - [ 0.0057186900000000, 0.0103282000000000, 0.0022326600000000 ] - [ 0.0000117700000000, 0.0000070800000000, -0.0000625200000000 ] - [ -0.0000168200000000, 0.0002034600000000, 0.0082904700000000 ] - [ -0.0016517500000000, -0.0019159600000000, 0.0013498200000000 ] - [ 0.0000179200000000, 0.0000057600000000, -0.0003463600000000 ] - [ -0.0000011700000000, 0.0000104600000000, -0.0002379800000000 ] - [ -0.0000077200000000, 0.0000035900000000, -0.0000006100000000 ] - [ 0.0000021900000000, 0.0000004500000000, -0.0002763500000000 ] - [ -0.0000019800000000, -0.0000009600000000, -0.0002798200000000 ] - [ -0.0000001200000000, -0.0000003600000000, -0.0004089100000000 ] - [ 0.0000008500000000, 0.0000002900000000, -0.0003865700000000 ] - [ -0.0000003500000000, -0.0000007700000000, -0.0001372800000000 ] - [ -0.0000003400000000, 0.0000003200000000, -0.0004071800000000 ] - [ -0.0000013400000000, -0.0000003000000000, -0.0003870800000000 ] - [ 0.0000002400000000, -0.0000001200000000, -0.0001867200000000 ] - [ 0.0000006300000000, 0.0000019800000000, -0.0001737400000000 ] - [ 0.0000001100000000, 0.0000013600000000, -0.0001547400000000 ] - [ -0.0001295200000000, -0.0001532500000000, -0.0007859000000000 ] - [ -0.0014702200000000, 0.0013201800000000, -0.0002286500000000 ] - [ -0.0032681800000000, -0.0020011300000000, 0.0012206800000000 ] - [ -0.0069428100000000, -0.0075663100000000, 0.0182389700000000 ] - [ -0.0000273400000000, -0.0000653500000000, 0.0009727800000000 ] - [ 0.0085194600000000, -0.0097509400000000, -0.0004354400000000 ] - [ 0.0022908400000000, 0.0018059500000000, 0.0002842100000000 ] - [ 0.1147317300000000, 0.0582437800000000, -0.0031112800000000 ] - [ 0.0015930400000000, -0.0013126800000000, -0.0003316200000000 ] - [ -0.0040366400000000, -0.0080090700000000, 0.0145603400000000 ] - [ -0.0038248500000000, -0.0084847200000000, -0.0171397500000000 ] - [ -0.0017726000000000, 0.0008841500000000, 0.0004911200000000 ] - [ -0.0403165300000000, -0.0304405800000000, -0.0008675700000000 ] - [ -0.0031856400000000, -0.0017255100000000, -0.0003851000000000 ] - [ -0.0602312600000000, 0.0121196300000000, -0.0007230400000000 ] - [ -0.0000693000000000, -0.0001084700000000, -0.0004909600000000 ] - [ -0.0069409200000000, -0.0073513100000000, -0.0187262800000000 ] - [ 0.0001458000000000, 0.0000896000000000, 0.0002253900000000 ] - [ 0.0023449200000000, 0.0015091200000000, -0.0002660000000000 ] - [ -0.0000580100000000, 0.0000705900000000, 0.0000391900000000 ] - [ 0.0020293600000000, -0.0008485600000000, 0.0006522800000000 ] - [ -0.0000034600000000, -0.0000070500000000, 0.0002175200000000 ] - [ -0.0000767800000000, -0.0001249500000000, 0.0007817000000000 ] - [ -0.0000111000000000, -0.0001103500000000, 0.0001435600000000 ] - [ 0.0000337000000000, -0.0000891900000000, 0.0000405000000000 ] - [ 0.0000848600000000, -0.0000198900000000, 0.0002158800000000 ] - [ -0.0001369800000000, -0.0000903600000000, 0.0002298500000000 ] - [ -0.0000048500000000, -0.0000051400000000, 0.0000828800000000 ] - [ -0.0001093000000000, 0.0000026400000000, 0.0002013000000000 ] - [ 0.0000151100000000, 0.0001102900000000, 0.0001379600000000 ] - [ -0.0000007400000000, -0.0000006200000000, 0.0001086800000000 ] - [ 0.0000100300000000, 0.0000062800000000, 0.0000218900000000 ] - [ -0.0000332600000000, 0.0000371900000000, 0.0001385800000000 ] - [ -0.0000002900000000, -0.0000002700000000, 0.0003303100000000 ] - [ -0.0000009200000000, -0.0000005800000000, 0.0001186800000000 ] - [ -0.0000659200000000, -0.0000648100000000, -0.0000274600000000 ] - [ 0.0000318300000000, -0.0000351800000000, 0.0001385400000000 ] - [ 0.0000526400000000, -0.0000545700000000, 0.0000018700000000 ] - [ -0.0000103100000000, -0.0000057200000000, 0.0000218400000000 ] - [ -0.0000003800000000, -0.0000002600000000, 0.0002855300000000 ] - [ -0.0000004700000000, 0.0000002200000000, 0.0003274000000000 ] - [ 0.0000602100000000, 0.0000636400000000, 0.0001161400000000 ] - [ -0.0000528600000000, 0.0000543300000000, 0.0000016100000000 ] - [ -0.0001213400000000, 0.0001181300000000, -0.0000486800000000 ] - [ 0.0000656700000000, 0.0000643100000000, -0.0000275400000000 ] - [ -0.0000006800000000, -0.0000003300000000, 0.0002126700000000 ] - [ -0.0000004000000000, -0.0000000300000000, 0.0002877800000000 ] - [ 0.0001126000000000, 0.0001265800000000, 0.0002095800000000 ] - [ 0.0001199100000000, -0.0001186500000000, -0.0000486200000000 ] - [ -0.0000687000000000, 0.0000544100000000, 0.0000459700000000 ] - [ -0.0000607600000000, -0.0000631200000000, 0.0001160800000000 ] - [ -0.0000052200000000, -0.0000043100000000, 0.0002303400000000 ] - [ -0.0000005700000000, -0.0000003000000000, 0.0002315300000000 ] - [ -0.0000709300000000, -0.0000615900000000, 0.0001504200000000 ] - [ 0.0000674200000000, -0.0000562600000000, 0.0000459100000000 ] - [ 0.0000470100000000, -0.0000553600000000, 0.0001975100000000 ] - [ -0.0001127900000000, -0.0001259700000000, 0.0002093800000000 ] - [ -0.0000032800000000, -0.0000052500000000, 0.0000747200000000 ] - [ -0.0000480600000000, 0.0000532200000000, 0.0001973200000000 ] - [ 0.0000710000000000, 0.0000614900000000, 0.0001508100000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000378500000000, 0.0000378500000000, -0.0006106000000000 ] - [ -0.0004904500000000, 0.0004904500000000, 0.0023397600000000 ] - [ 0.0000003500000000, -0.0000003500000000, -0.0005700700000000 ] - [ 0.0000000900000000, -0.0000000900000000, -0.0004366900000000 ] - [ -0.0024712000000000, 0.0024712000000000, 0.0124812400000000 ] - [ 0.0000825900000000, -0.0000825900000000, -0.0014035800000000 ] - [ -0.0029724200000000, 0.0029724200000000, 0.0030473900000000 ] - [ 0.0000001200000000, -0.0000001200000000, -0.0011407100000000 ] - [ -0.0000597900000000, 0.0000597900000000, -0.0013881800000000 ] - [ -0.0000000200000000, 0.0000000200000000, -0.0014325200000000 ] - [ 0.0000002800000000, -0.0000002800000000, -0.0013757100000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0012499900000000 ] - [ 0.0000000500000000, -0.0000000500000000, -0.0011088900000000 ] - [ 0.0000004100000000, -0.0000004100000000, -0.0011345400000000 ] - [ 0.0000000700000000, -0.0000000700000000, -0.0012513500000000 ] - [ -0.0000000600000000, 0.0000000600000000, -0.0014294800000000 ] - [ 0.0000750900000000, -0.0000750900000000, -0.0017548700000000 ] - [ 0.0051440800000000, -0.0051440800000000, 0.0007937400000000 ] - [ -0.0000000700000000, 0.0000000700000000, -0.0016984000000000 ] - [ 0.0000003600000000, -0.0000003600000000, -0.0023845100000000 ] - [ 0.0007846900000000, 0.0004963100000000, -0.0044477300000000 ] - [ -0.0004963100000000, -0.0007846900000000, -0.0044477300000000 ] - [ -0.0007263000000000, -0.0005794700000000, -0.0036864500000000 ] - [ -0.0007928900000000, -0.0001187400000000, 0.0311385200000000 ] - [ -0.0000034400000000, 0.0000040200000000, -0.0033583500000000 ] - [ 0.0005794700000000, 0.0007263000000000, -0.0036864500000000 ] - [ 0.0001187400000000, 0.0007928900000000, 0.0311385200000000 ] - [ 0.0000110700000000, 0.0000002500000000, -0.0033727500000000 ] - [ -0.0000040200000000, 0.0000034400000000, -0.0033583500000000 ] - [ -0.0000002500000000, -0.0000110700000000, -0.0033727500000000 ] - [ -0.0000020600000000, -0.0000015700000000, -0.0034256900000000 ] - [ 0.0000015700000000, 0.0000020600000000, -0.0034256900000000 ] - [ -0.0000024900000000, -0.0000021500000000, -0.0035973400000000 ] - [ -0.0000011400000000, -0.0000018900000000, -0.0035491000000000 ] - [ 0.0000026100000000, 0.0000011200000000, -0.0033523100000000 ] - [ 0.0000021500000000, 0.0000024900000000, -0.0035973400000000 ] - [ 0.0000018900000000, 0.0000011400000000, -0.0035491000000000 ] - [ 0.0000008700000000, 0.0000011500000000, -0.0033269900000000 ] - [ -0.0000011200000000, -0.0000026100000000, -0.0033523100000000 ] - [ -0.0000011500000000, -0.0000008700000000, -0.0033269900000000 ] - [ -0.0000676200000000, 0.0000088900000000, 0.0025482100000000 ] - [ 0.0000513800000000, 0.0001737900000000, 0.0006493500000000 ] - [ -0.0000648000000000, 0.0000648000000000, 0.0028896500000000 ] - [ -0.0109494200000000, -0.0089722700000000, 0.0037680300000000 ] - [ -0.0000088900000000, 0.0000676200000000, 0.0025482100000000 ] - [ 0.0003163600000000, 0.0009182900000000, -0.0124123500000000 ] - [ -0.0001764800000000, 0.0001764800000000, 0.0005187900000000 ] - [ 0.0032709400000000, -0.0032709400000000, -0.0608892500000000 ] - [ -0.0001737900000000, -0.0000513800000000, 0.0006493500000000 ] - [ -0.0086360700000000, -0.0105690200000000, 0.0022390700000000 ] - [ 0.0089722700000000, 0.0109494200000000, 0.0037680300000000 ] - [ -0.0003986600000000, -0.0005361300000000, 0.0007633100000000 ] - [ -0.0008683900000000, 0.0008683900000000, -0.0032773700000000 ] - [ -0.0006111100000000, 0.0006111100000000, 0.0025311200000000 ] - [ -0.0009182900000000, -0.0003163600000000, -0.0124123500000000 ] - [ 0.0000227700000000, -0.0000421100000000, 0.0025386900000000 ] - [ 0.0105690200000000, 0.0086360700000000, 0.0022390700000000 ] - [ 0.0001037000000000, 0.0000987500000000, 0.0011227200000000 ] - [ 0.0003546300000000, -0.0003546300000000, 0.0007098300000000 ] - [ -0.0000692600000000, 0.0000692600000000, 0.0010069200000000 ] - [ 0.0005361300000000, 0.0003986600000000, 0.0007633100000000 ] - [ 0.0000006200000000, -0.0000033600000000, 0.0026376500000000 ] - [ 0.0000421100000000, -0.0000227700000000, 0.0025386900000000 ] - [ -0.0001296400000000, -0.0001240700000000, 0.0009950400000000 ] - [ 0.0000666800000000, -0.0000666800000000, 0.0009988300000000 ] - [ -0.0000262100000000, 0.0000262100000000, 0.0011977700000000 ] - [ -0.0000987500000000, -0.0001037000000000, 0.0011227200000000 ] - [ 0.0000033600000000, -0.0000006200000000, 0.0026376500000000 ] - [ 0.0000203500000000, -0.0000203500000000, 0.0011823900000000 ] - [ 0.0001240700000000, 0.0001296400000000, 0.0009950400000000 ] - [ 0.0000001500000000, -0.0000001900000000, 0.0026166800000000 ] - [ -0.0001438300000000, -0.0001438900000000, 0.0009316300000000 ] - [ -0.0001852900000000, 0.0001852900000000, 0.0010434400000000 ] - [ -0.0000000400000000, -0.0000000100000000, 0.0028348800000000 ] - [ 0.0000001900000000, -0.0000001500000000, 0.0026166800000000 ] - [ -0.0001475500000000, -0.0001475100000000, 0.0009389200000000 ] - [ 0.0001866700000000, -0.0001866700000000, 0.0010437700000000 ] - [ -0.0000168400000000, 0.0000168400000000, 0.0008625900000000 ] - [ 0.0001438900000000, 0.0001438300000000, 0.0009316300000000 ] - [ -0.0000000100000000, -0.0000000900000000, 0.0027927000000000 ] - [ 0.0000000100000000, 0.0000000400000000, 0.0028348800000000 ] - [ 0.0000597900000000, 0.0000597800000000, 0.0010326600000000 ] - [ 0.0000166600000000, -0.0000166600000000, 0.0008626600000000 ] - [ -0.0001177200000000, 0.0001177200000000, 0.0008641000000000 ] - [ 0.0001475100000000, 0.0001475500000000, 0.0009389200000000 ] - [ 0.0000000800000000, 0.0000004000000000, 0.0027370100000000 ] - [ 0.0000000900000000, 0.0000000100000000, 0.0027927000000000 ] - [ 0.0001189300000000, 0.0001192900000000, 0.0011222400000000 ] - [ 0.0001187500000000, -0.0001187500000000, 0.0008647200000000 ] - [ -0.0000618300000000, 0.0000618300000000, 0.0009627800000000 ] - [ -0.0000597800000000, -0.0000597900000000, 0.0010326600000000 ] - [ -0.0000026800000000, 0.0000005100000000, 0.0026415200000000 ] - [ -0.0000004000000000, -0.0000000800000000, 0.0027370100000000 ] - [ -0.0001367300000000, -0.0001381000000000, 0.0010062100000000 ] - [ 0.0000612500000000, -0.0000612500000000, 0.0009638700000000 ] - [ -0.0000330200000000, 0.0000330200000000, 0.0011596200000000 ] - [ -0.0001192900000000, -0.0001189300000000, 0.0011222400000000 ] - [ -0.0000005100000000, 0.0000026800000000, 0.0026415200000000 ] - [ 0.0000329300000000, -0.0000329300000000, 0.0011597500000000 ] - [ 0.0001381000000000, 0.0001367300000000, 0.0010062100000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000386700000000, -0.0000386700000000, 0.0004754000000000 ] - [ 0.0004120300000000, -0.0004120300000000, -0.0023635700000000 ] - [ 0.0000000300000000, -0.0000000300000000, 0.0004351800000000 ] - [ -0.0000000200000000, 0.0000000200000000, 0.0005693200000000 ] - [ 0.0021961100000000, -0.0021961100000000, -0.0122518600000000 ] - [ -0.0000811800000000, 0.0000811800000000, 0.0014024400000000 ] - [ 0.0029951000000000, -0.0029951000000000, -0.0026048000000000 ] - [ -0.0000000700000000, 0.0000000700000000, 0.0013873100000000 ] - [ 0.0000581900000000, -0.0000581900000000, 0.0013856300000000 ] - [ 0.0000003500000000, -0.0000003500000000, 0.0011089200000000 ] - [ 0.0000003100000000, -0.0000003100000000, 0.0011262100000000 ] - [ -0.0000004400000000, 0.0000004400000000, 0.0012494900000000 ] - [ -0.0000002800000000, 0.0000002800000000, 0.0014305800000000 ] - [ 0.0000000800000000, -0.0000000800000000, 0.0013795500000000 ] - [ 0.0000000700000000, -0.0000000700000000, 0.0012479400000000 ] - [ 0.0000005900000000, -0.0000005900000000, 0.0011059300000000 ] - [ -0.0000774600000000, 0.0000774600000000, 0.0024421500000000 ] - [ -0.0051369100000000, 0.0051369100000000, -0.0016216400000000 ] - [ 0.0000004500000000, -0.0000004500000000, 0.0023846200000000 ] - [ -0.0000001800000000, 0.0000001800000000, 0.0016894100000000 ] - [ -0.0007866600000000, -0.0004974700000000, 0.0044520200000000 ] - [ 0.0004974700000000, 0.0007866600000000, 0.0044520200000000 ] - [ 0.0007172200000000, 0.0005696400000000, 0.0034406300000000 ] - [ 0.0010201300000000, 0.0003732700000000, -0.0313254300000000 ] - [ 0.0000052900000000, -0.0000025800000000, 0.0036026900000000 ] - [ -0.0005696400000000, -0.0007172200000000, 0.0034406300000000 ] - [ -0.0003732700000000, -0.0010201300000000, -0.0313254300000000 ] - [ -0.0000049500000000, 0.0000036100000000, 0.0035840000000000 ] - [ 0.0000025800000000, -0.0000052900000000, 0.0036026900000000 ] - [ -0.0000036100000000, 0.0000049500000000, 0.0035840000000000 ] - [ -0.0000006400000000, -0.0000006200000000, 0.0034153700000000 ] - [ 0.0000006200000000, 0.0000006400000000, 0.0034153700000000 ] - [ -0.0000013500000000, -0.0000009200000000, 0.0033491500000000 ] - [ -0.0000008000000000, -0.0000013800000000, 0.0033320000000000 ] - [ 0.0000010600000000, 0.0000016600000000, 0.0035910600000000 ] - [ 0.0000009200000000, 0.0000013500000000, 0.0033491500000000 ] - [ 0.0000013800000000, 0.0000008000000000, 0.0033320000000000 ] - [ 0.0000003500000000, -0.0000003300000000, 0.0035386100000000 ] - [ -0.0000016600000000, -0.0000010600000000, 0.0035910600000000 ] - [ 0.0000003300000000, -0.0000003500000000, 0.0035386100000000 ] - [ 0.0000675000000000, -0.0000102800000000, -0.0027619700000000 ] - [ -0.0000090700000000, -0.0001327700000000, -0.0007531600000000 ] - [ 0.0000216000000000, -0.0000216000000000, -0.0028072100000000 ] - [ 0.0111224800000000, 0.0091119500000000, -0.0035938200000000 ] - [ 0.0000102800000000, -0.0000675000000000, -0.0027619700000000 ] - [ -0.0004873800000000, -0.0010170600000000, 0.0122195200000000 ] - [ 0.0002214200000000, -0.0002214200000000, -0.0004005500000000 ] - [ -0.0027718000000000, 0.0027718000000000, 0.0604408100000000 ] - [ 0.0001327700000000, 0.0000090700000000, -0.0007531600000000 ] - [ 0.0085058700000000, 0.0104091200000000, -0.0020915600000000 ] - [ -0.0091119500000000, -0.0111224800000000, -0.0035938200000000 ] - [ 0.0005135400000000, 0.0006503800000000, -0.0006959300000000 ] - [ 0.0007236100000000, -0.0007236100000000, 0.0030975500000000 ] - [ 0.0003684100000000, -0.0003684100000000, -0.0027638500000000 ] - [ 0.0010170600000000, 0.0004873800000000, 0.0122195200000000 ] - [ -0.0000213700000000, 0.0000427600000000, -0.0025379900000000 ] - [ -0.0104091200000000, -0.0085058700000000, -0.0020915600000000 ] - [ 0.0001324100000000, 0.0001371400000000, -0.0008651900000000 ] - [ -0.0001169200000000, 0.0001169200000000, -0.0009754800000000 ] - [ -0.0000517900000000, 0.0000517900000000, -0.0010776300000000 ] - [ -0.0006503800000000, -0.0005135400000000, -0.0006959300000000 ] - [ -0.0000005300000000, 0.0000031800000000, -0.0027629300000000 ] - [ -0.0000427600000000, 0.0000213700000000, -0.0025379900000000 ] - [ 0.0000098200000000, 0.0000036100000000, -0.0008468700000000 ] - [ 0.0000539500000000, -0.0000539500000000, -0.0010693600000000 ] - [ 0.0001384200000000, -0.0001384200000000, -0.0009759700000000 ] - [ -0.0001371400000000, -0.0001324100000000, -0.0008651900000000 ] - [ -0.0000031800000000, 0.0000005300000000, -0.0027629300000000 ] - [ -0.0001362100000000, 0.0001362100000000, -0.0009614600000000 ] - [ -0.0000036100000000, -0.0000098200000000, -0.0008468700000000 ] - [ -0.0000004700000000, -0.0000001300000000, -0.0028304400000000 ] - [ 0.0001855800000000, 0.0001857100000000, -0.0010411300000000 ] - [ 0.0001424700000000, -0.0001424700000000, -0.0009327600000000 ] - [ 0.0000001400000000, 0.0000001800000000, -0.0026178200000000 ] - [ 0.0000001300000000, 0.0000004700000000, -0.0028304400000000 ] - [ 0.0000328100000000, 0.0000328200000000, -0.0011599500000000 ] - [ -0.0001420600000000, 0.0001420600000000, -0.0009322700000000 ] - [ 0.0001371000000000, -0.0001371000000000, -0.0010097900000000 ] - [ -0.0001857100000000, -0.0001855800000000, -0.0010411300000000 ] - [ -0.0000000500000000, -0.0000002000000000, -0.0026614700000000 ] - [ -0.0000001800000000, -0.0000001400000000, -0.0026178200000000 ] - [ 0.0000615700000000, 0.0000616100000000, -0.0009595000000000 ] - [ -0.0001372600000000, 0.0001372600000000, -0.0010101700000000 ] - [ -0.0001176600000000, 0.0001176600000000, -0.0011204800000000 ] - [ -0.0000328200000000, -0.0000328100000000, -0.0011599500000000 ] - [ 0.0000003000000000, -0.0000000300000000, -0.0027343600000000 ] - [ 0.0000002000000000, 0.0000000500000000, -0.0026614700000000 ] - [ 0.0001185200000000, 0.0001176700000000, -0.0008647300000000 ] - [ 0.0001181500000000, -0.0001181500000000, -0.0011210700000000 ] - [ -0.0000606700000000, 0.0000606700000000, -0.0010348200000000 ] - [ -0.0000616100000000, -0.0000615700000000, -0.0009595000000000 ] - [ 0.0000030200000000, -0.0000007400000000, -0.0027701700000000 ] - [ 0.0000000300000000, -0.0000003000000000, -0.0027343600000000 ] - [ 0.0000157300000000, 0.0000162900000000, -0.0008575600000000 ] - [ 0.0000600300000000, -0.0000600300000000, -0.0010348500000000 ] - [ 0.0001486700000000, -0.0001486700000000, -0.0009372700000000 ] - [ -0.0001176700000000, -0.0001185200000000, -0.0008647300000000 ] - [ 0.0000007400000000, -0.0000030200000000, -0.0027701700000000 ] - [ -0.0001488900000000, 0.0001488900000000, -0.0009377000000000 ] - [ -0.0000162900000000, -0.0000157300000000, -0.0008575600000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000029000000000, 0.0000047100000000, -0.0000665300000000 ] - [ 0.0006127100000000, -0.0000335300000000, 0.0000696300000000 ] - [ 0.0000003200000000, -0.0000005100000000, -0.0000671600000000 ] - [ -0.0000000100000000, 0.0000001100000000, 0.0000672000000000 ] - [ 0.0065154500000000, 0.0003711300000000, -0.0001258500000000 ] - [ -0.0010829700000000, 0.0003825000000000, -0.0000092100000000 ] - [ -0.0072670300000000, -0.0001543600000000, 0.0001638600000000 ] - [ 0.0000005400000000, 0.0000039700000000, 0.0001255500000000 ] - [ 0.0014058400000000, -0.0000221200000000, -0.0000080000000000 ] - [ 0.0000051700000000, -0.0000076500000000, -0.0001598600000000 ] - [ 0.0000000100000000, 0.0000001300000000, -0.0001268800000000 ] - [ 0.0000005000000000, 0.0000011700000000, 0.0000008400000000 ] - [ 0.0000001200000000, 0.0000004400000000, 0.0001582800000000 ] - [ 0.0000006600000000, -0.0000009300000000, 0.0001246900000000 ] - [ 0.0000001800000000, -0.0000004100000000, 0.0000006000000000 ] - [ 0.0000006300000000, 0.0000003700000000, -0.0001584200000000 ] - [ -0.0000032800000000, -0.0000128900000000, 0.0003494800000000 ] - [ -0.0017246900000000, -0.0008975400000000, -0.0003320200000000 ] - [ -0.0000002400000000, -0.0000000900000000, 0.0003476800000000 ] - [ -0.0000004100000000, 0.0000003200000000, -0.0003472000000000 ] - [ 0.0000144300000000, 0.0001309300000000, -0.0000156600000000 ] - [ -0.0001322100000000, -0.0000844700000000, 0.0000120900000000 ] - [ 0.0152391500000000, 0.0002761200000000, -0.0002248300000000 ] - [ 0.0142607000000000, -0.0002732500000000, -0.0000182400000000 ] - [ -0.0001514300000000, 0.0000697700000000, 0.0001091500000000 ] - [ -0.0145924700000000, -0.0025349700000000, -0.0001711100000000 ] - [ -0.0133613700000000, 0.0020036000000000, -0.0000637600000000 ] - [ -0.0000065400000000, 0.0000105000000000, 0.0001156200000000 ] - [ 0.0000001600000000, -0.0000936300000000, 0.0001425900000000 ] - [ -0.0000063800000000, -0.0000071500000000, 0.0001065200000000 ] - [ 0.0000015200000000, 0.0000028800000000, -0.0000002900000000 ] - [ -0.0000017900000000, -0.0000040700000000, -0.0000006000000000 ] - [ 0.0000016100000000, 0.0000001900000000, -0.0001230200000000 ] - [ 0.0000012500000000, 0.0000005500000000, -0.0001102000000000 ] - [ -0.0000018800000000, -0.0000020800000000, 0.0001264600000000 ] - [ -0.0000013100000000, -0.0000004200000000, -0.0001262400000000 ] - [ -0.0000010000000000, -0.0000004200000000, -0.0001090900000000 ] - [ -0.0000078200000000, 0.0000015800000000, 0.0001114900000000 ] - [ -0.0000000200000000, 0.0000027800000000, 0.0001239000000000 ] - [ -0.0000083900000000, -0.0000051800000000, 0.0001078200000000 ] - [ 0.0000757100000000, -0.0000172100000000, -0.0000817600000000 ] - [ 0.0001277800000000, -0.0000464000000000, -0.0001101600000000 ] - [ 0.0000798900000000, 0.0001381800000000, 0.0000573900000000 ] - [ 0.0024078700000000, -0.0005073000000000, 0.0000831400000000 ] - [ 0.0000642300000000, 0.0000043600000000, -0.0001238000000000 ] - [ 0.0071643800000000, -0.0056081700000000, -0.0095715600000000 ] - [ 0.0000959900000000, 0.0000724400000000, 0.0000562200000000 ] - [ 0.0041181700000000, 0.0072969700000000, -0.0086737900000000 ] - [ 0.0000601400000000, -0.0000634300000000, -0.0000091900000000 ] - [ -0.0548660000000000, -0.0025332700000000, 0.0000608300000000 ] - [ 0.0013767300000000, -0.0001747900000000, 0.0001717500000000 ] - [ 0.0040983100000000, -0.0072343700000000, -0.0086143300000000 ] - [ 0.0040612200000000, 0.0074212700000000, 0.0084677600000000 ] - [ 0.0067102000000000, 0.0073991100000000, -0.0099905700000000 ] - [ 0.0073230600000000, -0.0054639200000000, 0.0092240300000000 ] - [ 0.0024166300000000, 0.0004637600000000, 0.0000246800000000 ] - [ 0.0023600500000000, 0.0000247800000000, 0.0000669600000000 ] - [ 0.0001870800000000, 0.0000008800000000, 0.0001408200000000 ] - [ 0.0068869200000000, 0.0071946500000000, 0.0098457800000000 ] - [ 0.0000043500000000, 0.0001514700000000, -0.0000844300000000 ] - [ 0.0039206300000000, -0.0073694400000000, 0.0087536300000000 ] - [ 0.0000813500000000, 0.0000107400000000, -0.0000726400000000 ] - [ 0.0012941900000000, -0.0000798700000000, -0.0000575900000000 ] - [ -0.0000411500000000, -0.0000802500000000, 0.0000702400000000 ] - [ 0.0001447000000000, 0.0000464900000000, 0.0000153200000000 ] - [ 0.0000715700000000, -0.0000383600000000, 0.0001131400000000 ] - [ -0.0000339900000000, -0.0002541100000000, 0.0001199900000000 ] - [ 0.0000673700000000, 0.0000002900000000, -0.0000593500000000 ] - [ -0.0000683400000000, 0.0000477200000000, 0.0001115000000000 ] - [ 0.0000519400000000, 0.0000687000000000, 0.0000762600000000 ] - [ 0.0000053500000000, 0.0000014800000000, -0.0001049900000000 ] - [ 0.0000265900000000, 0.0000161700000000, -0.0000580000000000 ] - [ -0.0000171200000000, 0.0000273800000000, 0.0000591300000000 ] - [ 0.0000008900000000, -0.0000000900000000, 0.0001123100000000 ] - [ 0.0000055700000000, 0.0000000100000000, -0.0001131400000000 ] - [ -0.0000592000000000, -0.0000553900000000, -0.0001124700000000 ] - [ 0.0000166500000000, -0.0000242400000000, 0.0000585400000000 ] - [ 0.0000593100000000, -0.0000637000000000, -0.0000734200000000 ] - [ -0.0000258700000000, -0.0000174500000000, -0.0000593600000000 ] - [ 0.0000004000000000, -0.0000001300000000, 0.0000571900000000 ] - [ 0.0000006000000000, 0.0000000800000000, 0.0001080500000000 ] - [ 0.0000544000000000, 0.0000691900000000, 0.0000354600000000 ] - [ -0.0000584800000000, 0.0000636800000000, -0.0000736000000000 ] - [ -0.0001265700000000, 0.0001118300000000, -0.0001291600000000 ] - [ 0.0000600800000000, 0.0000550400000000, -0.0001125500000000 ] - [ 0.0000005300000000, -0.0000002700000000, -0.0000085900000000 ] - [ 0.0000003500000000, 0.0000000100000000, 0.0000698800000000 ] - [ 0.0001117100000000, 0.0001265000000000, 0.0001290100000000 ] - [ 0.0001261400000000, -0.0001116100000000, -0.0001291800000000 ] - [ -0.0000679000000000, 0.0000535800000000, -0.0000351700000000 ] - [ -0.0000536000000000, -0.0000689500000000, 0.0000354400000000 ] - [ 0.0000044700000000, -0.0000008400000000, -0.0000649600000000 ] - [ 0.0000007800000000, 0.0000003100000000, 0.0000100900000000 ] - [ -0.0000586700000000, -0.0000660500000000, 0.0000737700000000 ] - [ 0.0000699000000000, -0.0000539400000000, -0.0000356200000000 ] - [ 0.0000621400000000, -0.0000528800000000, 0.0001092400000000 ] - [ -0.0001104100000000, -0.0001264500000000, 0.0001293600000000 ] - [ 0.0000047700000000, -0.0000003400000000, -0.0000739900000000 ] - [ -0.0000514400000000, 0.0000624000000000, 0.0001147600000000 ] - [ 0.0000650400000000, 0.0000556700000000, 0.0000723500000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000039200000000, -0.0000002800000000, -0.0000664700000000 ] - [ 0.0002316500000000, -0.0004710100000000, 0.0000698300000000 ] - [ -0.0000002900000000, -0.0000003300000000, -0.0000671500000000 ] - [ -0.0000000300000000, 0.0000000400000000, 0.0000671100000000 ] - [ 0.0004726100000000, -0.0070820400000000, -0.0001233400000000 ] - [ 0.0000211500000000, 0.0013982400000000, -0.0000074600000000 ] - [ 0.0005257300000000, 0.0067268000000000, 0.0001595000000000 ] - [ 0.0000050900000000, 0.0000050000000000, 0.0001257900000000 ] - [ -0.0004007200000000, -0.0010829200000000, -0.0000104300000000 ] - [ -0.0000043900000000, 0.0000017300000000, -0.0001599900000000 ] - [ -0.0000001100000000, 0.0000003800000000, -0.0001270700000000 ] - [ 0.0000003200000000, 0.0000013900000000, 0.0000007000000000 ] - [ -0.0000000800000000, 0.0000005000000000, 0.0001581500000000 ] - [ 0.0000002700000000, 0.0000000800000000, 0.0001249200000000 ] - [ 0.0000000600000000, -0.0000003100000000, 0.0000005600000000 ] - [ 0.0000006700000000, 0.0000000300000000, -0.0001586100000000 ] - [ -0.0000159700000000, 0.0000119600000000, 0.0003498800000000 ] - [ -0.0000554200000000, 0.0022052100000000, -0.0003359300000000 ] - [ 0.0000005600000000, -0.0000003600000000, 0.0003477800000000 ] - [ -0.0000000900000000, 0.0000008300000000, -0.0003474200000000 ] - [ -0.0000531100000000, 0.0000305900000000, -0.0000138500000000 ] - [ 0.0001122700000000, -0.0001221200000000, 0.0000095200000000 ] - [ -0.0003752400000000, 0.0154053200000000, -0.0002264800000000 ] - [ 0.0004769900000000, 0.0148540900000000, -0.0000163400000000 ] - [ -0.0000497100000000, -0.0001527900000000, 0.0001084800000000 ] - [ 0.0029109600000000, -0.0145345100000000, -0.0001693800000000 ] - [ -0.0049818400000000, -0.0131287500000000, -0.0000621800000000 ] - [ -0.0000040800000000, -0.0000077000000000, 0.0001157700000000 ] - [ 0.0000729000000000, 0.0000109400000000, 0.0001421800000000 ] - [ 0.0000033500000000, -0.0000058200000000, 0.0001069200000000 ] - [ 0.0000020700000000, 0.0000016900000000, -0.0000005100000000 ] - [ -0.0000009600000000, -0.0000040800000000, -0.0000010000000000 ] - [ 0.0000015100000000, 0.0000003400000000, -0.0001227700000000 ] - [ 0.0000011600000000, 0.0000008400000000, -0.0001108500000000 ] - [ -0.0000022000000000, -0.0000033100000000, 0.0001262200000000 ] - [ -0.0000015100000000, -0.0000003300000000, -0.0001262200000000 ] - [ -0.0000012200000000, -0.0000004100000000, -0.0001096200000000 ] - [ -0.0000082900000000, -0.0000053600000000, 0.0001118800000000 ] - [ 0.0000013600000000, 0.0000023300000000, 0.0001231600000000 ] - [ 0.0000093700000000, -0.0000073200000000, 0.0001082400000000 ] - [ 0.0000108800000000, 0.0000817300000000, -0.0000818600000000 ] - [ -0.0000878600000000, 0.0000567600000000, -0.0000752900000000 ] - [ 0.0001448100000000, 0.0000916100000000, -0.0000216600000000 ] - [ 0.0008891600000000, 0.0023157500000000, 0.0000869500000000 ] - [ -0.0000076600000000, 0.0000609900000000, -0.0001227900000000 ] - [ -0.0061144300000000, 0.0019098200000000, 0.0074004600000000 ] - [ 0.0001609300000000, 0.0000265900000000, 0.0001348300000000 ] - [ 0.0081076100000000, 0.0068186000000000, -0.0106283900000000 ] - [ -0.0001529700000000, 0.0000375300000000, -0.0000435100000000 ] - [ -0.0025328400000000, -0.0541449600000000, 0.0000572900000000 ] - [ -0.0002376900000000, 0.0015344000000000, 0.0001669100000000 ] - [ -0.0074102800000000, 0.0070434100000000, 0.0102286200000000 ] - [ 0.0079406600000000, 0.0069999700000000, 0.0103491500000000 ] - [ 0.0070441200000000, 0.0039749500000000, -0.0086187500000000 ] - [ -0.0059853700000000, 0.0019611000000000, -0.0076670400000000 ] - [ -0.0004780100000000, 0.0023938700000000, 0.0000250300000000 ] - [ 0.0000836000000000, 0.0023604600000000, 0.0000638100000000 ] - [ 0.0000034100000000, 0.0002112000000000, 0.0001719300000000 ] - [ 0.0072799000000000, 0.0036712100000000, 0.0084184000000000 ] - [ 0.0000491400000000, 0.0001207500000000, -0.0000276200000000 ] - [ -0.0074872500000000, 0.0069677900000000, -0.0100299700000000 ] - [ -0.0000112400000000, 0.0000759700000000, -0.0000735400000000 ] - [ -0.0000819400000000, 0.0012839800000000, -0.0000582200000000 ] - [ -0.0000515900000000, -0.0000705800000000, 0.0000725900000000 ] - [ 0.0001902600000000, 0.0000162700000000, -0.0000415200000000 ] - [ 0.0000749600000000, -0.0000382600000000, 0.0001091400000000 ] - [ -0.0002148300000000, -0.0000455200000000, 0.0000890600000000 ] - [ 0.0000003400000000, 0.0000673200000000, -0.0000592200000000 ] - [ -0.0000628900000000, 0.0000502400000000, 0.0001151200000000 ] - [ 0.0000431200000000, 0.0000760300000000, 0.0000741800000000 ] - [ -0.0000012900000000, 0.0000048600000000, -0.0001044500000000 ] - [ 0.0000266700000000, 0.0000163300000000, -0.0000579700000000 ] - [ -0.0000164600000000, 0.0000284100000000, 0.0000593900000000 ] - [ 0.0000000600000000, 0.0000005400000000, 0.0001134800000000 ] - [ 0.0000002000000000, 0.0000056000000000, -0.0001138500000000 ] - [ -0.0000600300000000, -0.0000549100000000, -0.0001123200000000 ] - [ 0.0000158100000000, -0.0000249600000000, 0.0000580300000000 ] - [ 0.0000586100000000, -0.0000639000000000, -0.0000735100000000 ] - [ -0.0000276300000000, -0.0000158200000000, -0.0000588600000000 ] - [ 0.0000000800000000, 0.0000001400000000, 0.0000571000000000 ] - [ 0.0000000200000000, 0.0000007000000000, 0.0001081500000000 ] - [ 0.0000536300000000, 0.0000697500000000, 0.0000355200000000 ] - [ -0.0000580900000000, 0.0000640800000000, -0.0000737600000000 ] - [ -0.0001269500000000, 0.0001115100000000, -0.0001291200000000 ] - [ 0.0000604300000000, 0.0000550900000000, -0.0001123300000000 ] - [ -0.0000000100000000, 0.0000005100000000, -0.0000092900000000 ] - [ -0.0000000200000000, 0.0000003900000000, 0.0000709300000000 ] - [ 0.0001100700000000, 0.0001278800000000, 0.0001288100000000 ] - [ 0.0001262500000000, -0.0001109600000000, -0.0001290900000000 ] - [ -0.0000684900000000, 0.0000528400000000, -0.0000355200000000 ] - [ -0.0000533500000000, -0.0000689500000000, 0.0000355200000000 ] - [ 0.0000016300000000, 0.0000046800000000, -0.0000665500000000 ] - [ 0.0000002400000000, 0.0000008900000000, 0.0000110000000000 ] - [ -0.0000688600000000, -0.0000560100000000, 0.0000766700000000 ] - [ 0.0000705100000000, -0.0000531100000000, -0.0000352800000000 ] - [ 0.0000613000000000, -0.0000563000000000, 0.0001130700000000 ] - [ -0.0001103800000000, -0.0001262300000000, 0.0001296000000000 ] - [ -0.0000003600000000, 0.0000048000000000, -0.0000735800000000 ] - [ -0.0000527000000000, 0.0000589400000000, 0.0001107900000000 ] - [ 0.0000543900000000, 0.0000656300000000, 0.0000698200000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0014813500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004970500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013980800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335314100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014506100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0344297500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034008300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014575900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037278100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036414400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035145300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036384900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038431900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054037000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027593600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055828600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062866900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0133298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0385017400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0315514800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0344856100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0353462100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096242500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0129464700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102213900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099439300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099993300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101176900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100217200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102451500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101243800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101904000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099696200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093562800000000 ] - [ 0.0002423900000000, -0.0011329100000000, 0.0027093200000000 ] - [ 0.0003295100000000, 0.0008774600000000, 0.0025772100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013737400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070308900000000 ] - [ -0.0161376400000000, 0.0108099400000000, 0.0017402500000000 ] - [ -0.0003295100000000, -0.0008774600000000, 0.0025772100000000 ] - [ -0.0143356900000000, -0.0188474000000000, 0.0021374000000000 ] - [ -0.0002423900000000, 0.0011329100000000, 0.0027093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2140568200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0264703300000000 ] - [ -0.0140482200000000, 0.0180312000000000, 0.0024967400000000 ] - [ 0.0143356900000000, 0.0188474000000000, 0.0021374000000000 ] - [ -0.0179503300000000, -0.0138933100000000, 0.0022634300000000 ] - [ 0.0161376400000000, -0.0108099400000000, 0.0017402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0501626600000000 ] - [ 0.0007861500000000, -0.0004320300000000, 0.0028207600000000 ] - [ 0.0179503300000000, 0.0138933100000000, 0.0022634300000000 ] - [ 0.0004834200000000, 0.0007256900000000, 0.0026685200000000 ] - [ 0.0140482200000000, -0.0180312000000000, 0.0024967400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0091596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0244794300000000 ] - [ -0.0003555100000000, -0.0002083600000000, 0.0027838100000000 ] - [ -0.0004834200000000, -0.0007256900000000, 0.0026685200000000 ] - [ -0.0002617400000000, 0.0001297900000000, 0.0031365800000000 ] - [ -0.0007861500000000, 0.0004320300000000, 0.0028207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071722600000000 ] - [ 0.0002617400000000, -0.0001297900000000, 0.0031365800000000 ] - [ 0.0003555100000000, 0.0002083600000000, 0.0027838100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0077642100000000 ] - [ -0.0004485300000000, -0.0004639100000000, 0.0028160600000000 ] - [ -0.0004915900000000, 0.0005064900000000, 0.0029331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080647000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079591900000000 ] - [ -0.0003215600000000, -0.0003185700000000, 0.0029424800000000 ] - [ 0.0004915900000000, -0.0005064900000000, 0.0029331500000000 ] - [ -0.0001639100000000, 0.0001607000000000, 0.0026486300000000 ] - [ 0.0004485300000000, 0.0004639100000000, 0.0028160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080437300000000 ] - [ 0.0000570200000000, 0.0000614400000000, 0.0029381300000000 ] - [ 0.0001639100000000, -0.0001607000000000, 0.0026486300000000 ] - [ -0.0001220600000000, 0.0001182100000000, 0.0027628200000000 ] - [ 0.0003215600000000, 0.0003185700000000, 0.0029424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079873500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079990900000000 ] - [ 0.0001240100000000, 0.0001123600000000, 0.0030213800000000 ] - [ 0.0001220600000000, -0.0001182100000000, 0.0027628200000000 ] - [ -0.0000577100000000, 0.0000705700000000, 0.0028676700000000 ] - [ -0.0000570200000000, -0.0000614400000000, 0.0029381300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0077823600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079707800000000 ] - [ -0.0003450300000000, -0.0002109900000000, 0.0027779000000000 ] - [ 0.0000577100000000, -0.0000705700000000, 0.0028676700000000 ] - [ -0.0002652300000000, 0.0001564200000000, 0.0031487100000000 ] - [ -0.0001240100000000, -0.0001123600000000, 0.0030213800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079949200000000 ] - [ 0.0002652300000000, -0.0001564200000000, 0.0031487100000000 ] - [ 0.0003450300000000, 0.0002109900000000, 0.0027779000000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0013473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013944900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0337710600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015006700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0340918500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036514700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015069500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035213300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036408200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038529000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036377400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060916900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0062741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0055926800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0133979400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0336172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0368470800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081042200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0345635300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0357099600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098336200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0131356100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099425500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099949700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099906200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102692300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099105900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103963700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098668400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095819700000000 ] - [ -0.0002097000000000, 0.0011838300000000, -0.0028205600000000 ] - [ -0.0003873000000000, -0.0008370800000000, -0.0024569400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011078800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072355300000000 ] - [ 0.0161720900000000, -0.0110335600000000, -0.0018438000000000 ] - [ 0.0003873000000000, 0.0008370800000000, -0.0024569400000000 ] - [ 0.0145938100000000, 0.0189367500000000, -0.0021867800000000 ] - [ 0.0002097000000000, -0.0011838300000000, -0.0028205600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2141715000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0266737500000000 ] - [ 0.0140300100000000, -0.0177172800000000, -0.0025293400000000 ] - [ -0.0145938100000000, -0.0189367500000000, -0.0021867800000000 ] - [ 0.0175333900000000, 0.0139996500000000, -0.0026329200000000 ] - [ -0.0161720900000000, 0.0110335600000000, -0.0018438000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0502677100000000 ] - [ -0.0005345300000000, 0.0006596600000000, -0.0025643400000000 ] - [ -0.0175333900000000, -0.0139996500000000, -0.0026329200000000 ] - [ -0.0005958400000000, -0.0005894600000000, -0.0027410300000000 ] - [ -0.0140300100000000, 0.0177172800000000, -0.0025293400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0092645700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0241236100000000 ] - [ 0.0002372300000000, 0.0000844700000000, -0.0026339900000000 ] - [ 0.0005958400000000, 0.0005894600000000, -0.0027410300000000 ] - [ 0.0003783700000000, -0.0002415700000000, -0.0029117600000000 ] - [ 0.0005345300000000, -0.0006596600000000, -0.0025643400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073030300000000 ] - [ -0.0003783700000000, 0.0002415700000000, -0.0029117600000000 ] - [ -0.0002372300000000, -0.0000844700000000, -0.0026339900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079717000000000 ] - [ 0.0004925000000000, 0.0005043800000000, -0.0029280800000000 ] - [ 0.0004508700000000, -0.0004627900000000, -0.0028194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078516600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0081681200000000 ] - [ 0.0002067600000000, 0.0002055600000000, -0.0031665600000000 ] - [ -0.0004508700000000, 0.0004627900000000, -0.0028194900000000 ] - [ 0.0002837200000000, -0.0002826100000000, -0.0027982700000000 ] - [ -0.0004925000000000, -0.0005043800000000, -0.0029280800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078312500000000 ] - [ 0.0000642600000000, 0.0000632200000000, -0.0028672000000000 ] - [ -0.0002837200000000, 0.0002826100000000, -0.0027982700000000 ] - [ -0.0001174000000000, 0.0001185500000000, -0.0030205700000000 ] - [ -0.0002067600000000, -0.0002055600000000, -0.0031665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079868500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078708600000000 ] - [ 0.0001127600000000, 0.0001264900000000, -0.0027624100000000 ] - [ 0.0001174000000000, -0.0001185500000000, -0.0030205700000000 ] - [ -0.0000660200000000, 0.0000513500000000, -0.0029374800000000 ] - [ -0.0000642600000000, -0.0000632200000000, -0.0028672000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079041100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079672900000000 ] - [ 0.0002238000000000, 0.0000897900000000, -0.0026278900000000 ] - [ 0.0000660200000000, -0.0000513500000000, -0.0029374800000000 ] - [ 0.0003799000000000, -0.0002696100000000, -0.0029241800000000 ] - [ -0.0001127600000000, -0.0001264900000000, -0.0027624100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0081202100000000 ] - [ -0.0003799000000000, 0.0002696100000000, -0.0029241800000000 ] - [ -0.0002238000000000, -0.0000897900000000, -0.0026278900000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000500000000, 0.0000002900000000, -0.0000649600000000 ] - [ -0.0000047900000000, 0.0000011200000000, 0.0001105600000000 ] - [ 0.0000003900000000, -0.0000004700000000, -0.0000670600000000 ] - [ 0.0000003100000000, -0.0000001300000000, 0.0000676500000000 ] - [ 0.0039544000000000, -0.0000289600000000, -0.0016181800000000 ] - [ -0.0004189800000000, -0.0020813800000000, 0.0033470800000000 ] - [ -0.0002933900000000, -0.0020163100000000, -0.0031815400000000 ] - [ -0.0000083100000000, 0.0000015200000000, 0.0000379800000000 ] - [ 0.0035729900000000, -0.0003445600000000, 0.0011465900000000 ] - [ 0.0000153900000000, -0.0000134900000000, -0.0001932600000000 ] - [ 0.0000003000000000, 0.0000001000000000, -0.0001252400000000 ] - [ 0.0000004900000000, 0.0000012600000000, 0.0000016900000000 ] - [ 0.0000000500000000, 0.0000002600000000, 0.0001609600000000 ] - [ 0.0000006200000000, -0.0000005200000000, 0.0001260600000000 ] - [ 0.0000006100000000, -0.0000005600000000, 0.0000013200000000 ] - [ 0.0000006200000000, 0.0000000200000000, -0.0001584300000000 ] - [ 0.0000002700000000, -0.0000005000000000, 0.0003528900000000 ] - [ 0.0000359500000000, -0.0000119700000000, -0.0002954800000000 ] - [ 0.0000001300000000, -0.0000004000000000, 0.0003465600000000 ] - [ -0.0000000700000000, 0.0000002800000000, -0.0003473600000000 ] - [ -0.0000028900000000, 0.0000129700000000, 0.0001597600000000 ] - [ -0.0000107800000000, 0.0000048500000000, -0.0001673700000000 ] - [ -0.0009671100000000, 0.0027112200000000, -0.0001202800000000 ] - [ -0.0002298600000000, 0.0001218800000000, 0.0071713400000000 ] - [ 0.0000141800000000, 0.0001456200000000, 0.0084162400000000 ] - [ 0.0009675300000000, -0.0064151600000000, -0.0002069100000000 ] - [ 0.0000561400000000, 0.0001106100000000, -0.0083965200000000 ] - [ -0.0000002900000000, -0.0000003700000000, 0.0000950100000000 ] - [ -0.0001808700000000, 0.0001164600000000, -0.0070536100000000 ] - [ -0.0000005600000000, 0.0000020500000000, 0.0001274600000000 ] - [ 0.0000030700000000, 0.0000007500000000, 0.0000208500000000 ] - [ -0.0000024900000000, -0.0000009700000000, -0.0000151800000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0001227900000000 ] - [ 0.0000016700000000, 0.0000002800000000, -0.0001032000000000 ] - [ -0.0000003100000000, 0.0000006700000000, 0.0001326800000000 ] - [ 0.0000005600000000, 0.0000004300000000, -0.0001249300000000 ] - [ -0.0000014100000000, -0.0000001400000000, -0.0001052400000000 ] - [ 0.0000026300000000, 0.0000099700000000, 0.0000361900000000 ] - [ 0.0000009500000000, -0.0000000900000000, 0.0001269700000000 ] - [ -0.0000095500000000, 0.0000035300000000, 0.0001965200000000 ] - [ 0.0000032900000000, -0.0000073300000000, -0.0001763000000000 ] - [ -0.0000118400000000, 0.0000473300000000, -0.0000519400000000 ] - [ -0.0000452500000000, -0.0000077500000000, 0.0000386400000000 ] - [ 0.0000730500000000, -0.0001017500000000, 0.0009550200000000 ] - [ 0.0000055300000000, -0.0000044600000000, -0.0000323600000000 ] - [ 0.0023901500000000, -0.0016399800000000, 0.0004561900000000 ] - [ 0.0000372000000000, 0.0000077900000000, 0.0000342200000000 ] - [ 0.0018957500000000, 0.0007272800000000, -0.0005267400000000 ] - [ 0.0000331100000000, -0.0000651800000000, -0.0000523400000000 ] - [ 0.0039595000000000, -0.0074310300000000, -0.0139939000000000 ] - [ 0.0000968400000000, -0.0001295900000000, -0.0006233000000000 ] - [ -0.1223456600000000, 0.0664912600000000, 0.0002836700000000 ] - [ -0.0021527100000000, -0.0007599100000000, -0.0006657800000000 ] - [ -0.0107736100000000, -0.0114626300000000, -0.0001766200000000 ] - [ -0.0017220300000000, 0.0014617800000000, 0.0001689800000000 ] - [ 0.0068954200000000, -0.0071643000000000, -0.0178179600000000 ] - [ 0.0070340900000000, -0.0072934300000000, 0.0178286100000000 ] - [ 0.0031492800000000, -0.0017373400000000, -0.0002479500000000 ] - [ 0.0656776300000000, 0.0115201000000000, -0.0001205000000000 ] - [ 0.0015868900000000, 0.0008691700000000, 0.0003012500000000 ] - [ 0.0377556800000000, -0.0287520800000000, 0.0000955200000000 ] - [ 0.0000751500000000, -0.0001201100000000, 0.0004756600000000 ] - [ 0.0038345300000000, -0.0072998400000000, 0.0141758200000000 ] - [ -0.0000518800000000, -0.0000701700000000, 0.0000722600000000 ] - [ -0.0017630100000000, -0.0008670500000000, 0.0004083300000000 ] - [ 0.0000658000000000, -0.0000480100000000, 0.0001113600000000 ] - [ -0.0022943600000000, 0.0015209000000000, -0.0000586800000000 ] - [ 0.0000679300000000, -0.0000979300000000, -0.0007217800000000 ] - [ -0.0000655500000000, 0.0000493400000000, 0.0001106800000000 ] - [ 0.0000540300000000, 0.0000689800000000, 0.0000725200000000 ] - [ 0.0000051900000000, -0.0000047900000000, -0.0001805700000000 ] - [ 0.0000275100000000, 0.0000150200000000, -0.0000602100000000 ] - [ -0.0000150200000000, 0.0000270100000000, 0.0000588500000000 ] - [ 0.0000007800000000, -0.0000004800000000, 0.0001116100000000 ] - [ 0.0000022600000000, -0.0000067300000000, -0.0000447800000000 ] - [ -0.0000585600000000, -0.0000565500000000, -0.0001138100000000 ] - [ 0.0000153700000000, -0.0000256600000000, 0.0000596700000000 ] - [ 0.0000600800000000, -0.0000628300000000, -0.0000739900000000 ] - [ -0.0000252700000000, -0.0000153000000000, -0.0000600400000000 ] - [ 0.0000003600000000, -0.0000002800000000, 0.0000612300000000 ] - [ 0.0000003700000000, -0.0000002900000000, 0.0000964300000000 ] - [ 0.0000598100000000, 0.0000639100000000, 0.0000337900000000 ] - [ -0.0000590500000000, 0.0000627400000000, -0.0000742100000000 ] - [ -0.0001212100000000, 0.0001168800000000, -0.0001307800000000 ] - [ 0.0000598200000000, 0.0000558500000000, -0.0001139300000000 ] - [ 0.0000004400000000, 0.0000001000000000, -0.0000062500000000 ] - [ 0.0000004600000000, 0.0000000200000000, 0.0000667000000000 ] - [ 0.0001163000000000, 0.0001221300000000, 0.0001287700000000 ] - [ 0.0001213000000000, -0.0001173800000000, -0.0001307000000000 ] - [ -0.0000640900000000, 0.0000583100000000, -0.0000357500000000 ] - [ -0.0000591800000000, -0.0000635200000000, 0.0000337200000000 ] - [ 0.0000006900000000, -0.0000006000000000, -0.0000615100000000 ] - [ 0.0000003100000000, -0.0000000700000000, 0.0000007900000000 ] - [ -0.0000673000000000, -0.0000520100000000, 0.0000640300000000 ] - [ 0.0000653100000000, -0.0000587000000000, -0.0000357300000000 ] - [ 0.0000367900000000, -0.0000805900000000, 0.0001235200000000 ] - [ -0.0001154600000000, -0.0001219300000000, 0.0001296500000000 ] - [ 0.0000005600000000, 0.0000001600000000, -0.0000788900000000 ] - [ -0.0000420900000000, 0.0000790600000000, 0.0001287400000000 ] - [ 0.0000910400000000, 0.0000326200000000, 0.0000662100000000 ]- atom: 52 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003000000000, -0.0000003300000000, -0.0000685100000000 ] - [ 0.0000050500000000, -0.0000015100000000, 0.0000216500000000 ] - [ -0.0000001200000000, 0.0000001300000000, -0.0000665300000000 ] - [ 0.0000000400000000, 0.0000000700000000, 0.0000660600000000 ] - [ -0.0037988300000000, 0.0001772700000000, 0.0011422600000000 ] - [ 0.0002885700000000, 0.0019976200000000, -0.0032416600000000 ] - [ 0.0001588700000000, 0.0019290900000000, 0.0033974800000000 ] - [ 0.0000076600000000, -0.0000020300000000, 0.0002148200000000 ] - [ -0.0034201700000000, 0.0004882300000000, -0.0009238100000000 ] - [ -0.0000149900000000, 0.0000136400000000, -0.0001289100000000 ] - [ -0.0000001800000000, -0.0000002500000000, -0.0001273700000000 ] - [ 0.0000001800000000, -0.0000000800000000, -0.0000011500000000 ] - [ 0.0000001300000000, 0.0000000600000000, 0.0001645800000000 ] - [ -0.0000000900000000, 0.0000001100000000, 0.0001247100000000 ] - [ -0.0000000800000000, 0.0000000600000000, -0.0000012400000000 ] - [ 0.0000004600000000, -0.0000004500000000, -0.0001676500000000 ] - [ -0.0000003500000000, 0.0000006100000000, 0.0003431000000000 ] - [ -0.0000356600000000, 0.0000115800000000, -0.0004064500000000 ] - [ 0.0000003900000000, -0.0000003100000000, 0.0003491700000000 ] - [ 0.0000001700000000, -0.0000004900000000, -0.0003483600000000 ] - [ 0.0000011400000000, -0.0000130900000000, -0.0001577500000000 ] - [ 0.0000131400000000, -0.0000043300000000, 0.0001668900000000 ] - [ 0.0021403000000000, -0.0045731400000000, -0.0001240800000000 ] - [ 0.0002253000000000, -0.0001203400000000, -0.0073926400000000 ] - [ -0.0000070200000000, -0.0001494300000000, -0.0082130100000000 ] - [ -0.0032019300000000, 0.0083794300000000, -0.0000352600000000 ] - [ -0.0000521100000000, -0.0001154600000000, 0.0082278900000000 ] - [ 0.0000006700000000, -0.0000001300000000, 0.0001188400000000 ] - [ 0.0001747900000000, -0.0001152600000000, 0.0073107000000000 ] - [ 0.0000012400000000, -0.0000017200000000, 0.0000831800000000 ] - [ -0.0000009700000000, -0.0000000600000000, -0.0000214100000000 ] - [ 0.0000014200000000, -0.0000005500000000, 0.0000130700000000 ] - [ 0.0000009300000000, 0.0000002100000000, -0.0001275700000000 ] - [ -0.0000000100000000, -0.0000002200000000, -0.0001093200000000 ] - [ -0.0000001800000000, -0.0000014300000000, 0.0001196800000000 ] - [ -0.0000006600000000, -0.0000006300000000, -0.0001275200000000 ] - [ 0.0000008300000000, 0.0000001000000000, -0.0001060400000000 ] - [ -0.0000032100000000, -0.0000109800000000, 0.0001777000000000 ] - [ 0.0000003800000000, 0.0000010700000000, 0.0001224700000000 ] - [ 0.0000110700000000, -0.0000026700000000, 0.0000112800000000 ] - [ -0.0000025400000000, 0.0000073400000000, -0.0000276700000000 ] - [ 0.0000559800000000, -0.0000077400000000, -0.0000611400000000 ] - [ 0.0000061000000000, 0.0000524600000000, 0.0000762700000000 ] - [ -0.0000732400000000, 0.0001033900000000, -0.0007494400000000 ] - [ -0.0000056900000000, 0.0000042700000000, -0.0001813200000000 ] - [ -0.0025155200000000, 0.0015332000000000, -0.0006724200000000 ] - [ 0.0000036800000000, -0.0000527300000000, 0.0000812100000000 ] - [ -0.0017759200000000, -0.0008422900000000, 0.0003807500000000 ] - [ -0.0000769400000000, 0.0000257700000000, -0.0000619100000000 ] - [ -0.0040598400000000, 0.0074652300000000, 0.0140694100000000 ] - [ -0.0000958600000000, 0.0001296400000000, 0.0008295000000000 ] - [ 0.1236641200000000, -0.0669140200000000, -0.0002304800000000 ] - [ 0.0020322800000000, 0.0008783000000000, 0.0005160000000000 ] - [ 0.0106811100000000, 0.0119030300000000, -0.0000828100000000 ] - [ 0.0018437100000000, -0.0013531500000000, -0.0003936100000000 ] - [ -0.0068370200000000, 0.0071810300000000, 0.0180347600000000 ] - [ -0.0069763600000000, 0.0073090600000000, -0.0179128700000000 ] - [ -0.0029207300000000, 0.0019826500000000, 0.0004976500000000 ] - [ -0.0655709000000000, -0.0118425300000000, -0.0001345300000000 ] - [ -0.0017102100000000, -0.0007389200000000, -0.0003751600000000 ] - [ -0.0380087300000000, 0.0287297600000000, -0.0000256500000000 ] - [ -0.0000745800000000, 0.0001199200000000, -0.0005997000000000 ] - [ -0.0039347200000000, 0.0073329000000000, -0.0141244900000000 ] - [ -0.0000655000000000, -0.0000559200000000, 0.0000779400000000 ] - [ 0.0018848800000000, 0.0007404100000000, -0.0004786200000000 ] - [ 0.0000532600000000, -0.0000628800000000, 0.0001148600000000 ] - [ 0.0020622700000000, -0.0017642200000000, 0.0003193400000000 ] - [ -0.0000682200000000, 0.0000992500000000, 0.0005991200000000 ] - [ -0.0000529200000000, 0.0000632200000000, 0.0001153000000000 ] - [ 0.0000642400000000, 0.0000567700000000, 0.0000780500000000 ] - [ -0.0000048000000000, 0.0000039400000000, -0.0000281700000000 ] - [ 0.0000167200000000, 0.0000256100000000, -0.0000534500000000 ] - [ -0.0000250400000000, 0.0000168700000000, 0.0000560400000000 ] - [ -0.0000001700000000, 0.0000003500000000, 0.0001003700000000 ] - [ -0.0000019000000000, 0.0000068900000000, -0.0001662100000000 ] - [ -0.0000574000000000, -0.0000583800000000, -0.0001120800000000 ] - [ 0.0000254300000000, -0.0000164900000000, 0.0000549600000000 ] - [ 0.0000613000000000, -0.0000604200000000, -0.0000764200000000 ] - [ -0.0000178500000000, -0.0000249300000000, -0.0000539000000000 ] - [ -0.0000000200000000, -0.0000000700000000, 0.0000643600000000 ] - [ -0.0000001700000000, 0.0000002900000000, 0.0001147800000000 ] - [ 0.0000610600000000, 0.0000609600000000, 0.0000370500000000 ] - [ -0.0000610100000000, 0.0000602300000000, -0.0000765200000000 ] - [ -0.0001185400000000, 0.0001185600000000, -0.0001274900000000 ] - [ 0.0000576300000000, 0.0000584300000000, -0.0001120600000000 ] - [ 0.0000000800000000, 0.0000001100000000, 0.0000036900000000 ] - [ 0.0000000600000000, 0.0000000100000000, 0.0000630300000000 ] - [ 0.0001191200000000, 0.0001180400000000, 0.0001295500000000 ] - [ 0.0001184700000000, -0.0001186700000000, -0.0001274900000000 ] - [ -0.0000602800000000, 0.0000613200000000, -0.0000349200000000 ] - [ -0.0000608700000000, -0.0000609900000000, 0.0000370200000000 ] - [ -0.0000001400000000, 0.0000002200000000, -0.0000655500000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0000020300000000 ] - [ -0.0000549800000000, -0.0000696700000000, 0.0000863700000000 ] - [ 0.0000606100000000, -0.0000615900000000, -0.0000348100000000 ] - [ 0.0000794000000000, -0.0000358500000000, 0.0001023700000000 ] - [ -0.0001190200000000, -0.0001178900000000, 0.0001297600000000 ] - [ -0.0000002700000000, 0.0000005400000000, -0.0000505900000000 ] - [ -0.0000721900000000, 0.0000359600000000, 0.0000967300000000 ] - [ 0.0000321000000000, 0.0000890300000000, 0.0000840000000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000000900000000, -0.0000000900000000, -0.0006072400000000 ] - [ -0.0000236900000000, -0.0000236900000000, -0.0005107400000000 ] - [ -0.0000002200000000, -0.0000002200000000, -0.0006079900000000 ] - [ 0.0000000600000000, 0.0000000600000000, -0.0004696900000000 ] - [ -0.0014153600000000, -0.0014153600000000, 0.0099435600000000 ] - [ 0.0029102100000000, 0.0029102100000000, 0.0023217000000000 ] - [ -0.0027719300000000, -0.0027719300000000, 0.0026886200000000 ] - [ 0.0000581400000000, 0.0000581400000000, -0.0013483400000000 ] - [ 0.0012163600000000, 0.0012163600000000, 0.0097890300000000 ] - [ -0.0000768300000000, -0.0000768300000000, -0.0016783000000000 ] - [ -0.0000004100000000, -0.0000004100000000, -0.0014604400000000 ] - [ -0.0000001300000000, -0.0000001300000000, -0.0013338900000000 ] - [ -0.0000003500000000, -0.0000003500000000, -0.0011840600000000 ] - [ 0.0000002800000000, 0.0000002800000000, -0.0012121500000000 ] - [ -0.0000005800000000, -0.0000005800000000, -0.0013331600000000 ] - [ -0.0000006200000000, -0.0000006200000000, -0.0015169100000000 ] - [ -0.0000001700000000, -0.0000001700000000, -0.0018505400000000 ] - [ 0.0001228800000000, 0.0001228800000000, -0.0027948300000000 ] - [ 0.0000004400000000, 0.0000004400000000, -0.0018442700000000 ] - [ -0.0000003300000000, -0.0000003300000000, -0.0025233700000000 ] - [ -0.0000038900000000, 0.0000001800000000, -0.0036245700000000 ] - [ 0.0000001800000000, -0.0000038900000000, -0.0036245700000000 ] - [ -0.0000426300000000, 0.0000514300000000, 0.0306303500000000 ] - [ -0.0006285600000000, 0.0004365000000000, -0.0038916900000000 ] - [ -0.0006070400000000, 0.0007604800000000, -0.0037746700000000 ] - [ 0.0000514300000000, -0.0000426300000000, 0.0306303500000000 ] - [ 0.0004365000000000, -0.0006285600000000, -0.0038916900000000 ] - [ -0.0000019700000000, 0.0000014100000000, -0.0035625800000000 ] - [ 0.0007604800000000, -0.0006070400000000, -0.0037746700000000 ] - [ 0.0000014100000000, -0.0000019700000000, -0.0035625800000000 ] - [ 0.0000001500000000, 0.0000004300000000, -0.0036546700000000 ] - [ 0.0000004300000000, 0.0000001500000000, -0.0036546700000000 ] - [ 0.0000002900000000, -0.0000005500000000, -0.0038266200000000 ] - [ -0.0000022900000000, 0.0000014000000000, -0.0037712600000000 ] - [ -0.0000000200000000, -0.0000003800000000, -0.0035832800000000 ] - [ -0.0000005500000000, 0.0000002900000000, -0.0038266200000000 ] - [ 0.0000014000000000, -0.0000022900000000, -0.0037712600000000 ] - [ 0.0000040100000000, 0.0000040900000000, -0.0035670100000000 ] - [ -0.0000003800000000, -0.0000000200000000, -0.0035832800000000 ] - [ 0.0000040900000000, 0.0000040100000000, -0.0035670100000000 ] - [ 0.0000004800000000, 0.0000027100000000, 0.0027791300000000 ] - [ -0.0001636800000000, -0.0001636800000000, 0.0010284800000000 ] - [ -0.0002291800000000, 0.0002351200000000, 0.0011310400000000 ] - [ 0.0000281400000000, 0.0000316400000000, 0.0027460800000000 ] - [ 0.0000027100000000, 0.0000004800000000, 0.0027791300000000 ] - [ -0.0004987900000000, -0.0004987900000000, 0.0024662900000000 ] - [ 0.0002351200000000, -0.0002291800000000, 0.0011310400000000 ] - [ -0.0003932200000000, 0.0005524800000000, 0.0006560800000000 ] - [ 0.0001593600000000, 0.0001593600000000, 0.0010245300000000 ] - [ -0.0086167100000000, 0.0100500000000000, 0.0025609800000000 ] - [ 0.0000316400000000, 0.0000281400000000, 0.0027460800000000 ] - [ 0.0001038600000000, 0.0001038600000000, -0.0645876200000000 ] - [ 0.0005524800000000, -0.0003932200000000, 0.0006560800000000 ] - [ -0.0001551000000000, 0.0001041100000000, -0.0126006300000000 ] - [ 0.0003255000000000, 0.0003255000000000, 0.0008689100000000 ] - [ -0.0100689600000000, 0.0086296300000000, 0.0025175900000000 ] - [ 0.0100500000000000, -0.0086167100000000, 0.0025609800000000 ] - [ 0.0005074400000000, 0.0005074400000000, 0.0029415800000000 ] - [ 0.0001041100000000, -0.0001551000000000, -0.0126006300000000 ] - [ 0.0002802600000000, -0.0003857500000000, 0.0007138600000000 ] - [ -0.0001063200000000, -0.0001063200000000, -0.0032767700000000 ] - [ -0.0000496800000000, -0.0000077500000000, 0.0026437000000000 ] - [ 0.0086296300000000, -0.0100689600000000, 0.0025175900000000 ] - [ -0.0001434200000000, -0.0001434200000000, 0.0010750200000000 ] - [ -0.0003857500000000, 0.0002802600000000, 0.0007138600000000 ] - [ -0.0000403200000000, 0.0000407100000000, 0.0012328600000000 ] - [ -0.0003183000000000, -0.0003183000000000, 0.0010904100000000 ] - [ -0.0000077500000000, -0.0000496800000000, 0.0026437000000000 ] - [ 0.0000407100000000, -0.0000403200000000, 0.0012328600000000 ] - [ 0.0001428400000000, 0.0001428400000000, 0.0010750100000000 ] - [ -0.0000032800000000, -0.0000012400000000, 0.0027850200000000 ] - [ -0.0001556300000000, -0.0001556300000000, 0.0010028200000000 ] - [ -0.0001959500000000, 0.0001953100000000, 0.0011070400000000 ] - [ -0.0000000800000000, -0.0000004400000000, 0.0030144300000000 ] - [ -0.0000012400000000, -0.0000032800000000, 0.0027850200000000 ] - [ -0.0001533300000000, -0.0001533300000000, 0.0010058500000000 ] - [ 0.0001953100000000, -0.0001959500000000, 0.0011070400000000 ] - [ -0.0000208400000000, 0.0000200100000000, 0.0009199000000000 ] - [ 0.0001548600000000, 0.0001548600000000, 0.0010022900000000 ] - [ -0.0000001800000000, -0.0000000500000000, 0.0029631500000000 ] - [ -0.0000004400000000, -0.0000000800000000, 0.0030144300000000 ] - [ 0.0000594500000000, 0.0000594500000000, 0.0010996600000000 ] - [ 0.0000200100000000, -0.0000208400000000, 0.0009199000000000 ] - [ -0.0001180500000000, 0.0001180800000000, 0.0009312500000000 ] - [ 0.0001558700000000, 0.0001558700000000, 0.0010067700000000 ] - [ -0.0000001800000000, -0.0000000100000000, 0.0029211200000000 ] - [ -0.0000000500000000, -0.0000001800000000, 0.0029631500000000 ] - [ 0.0001180300000000, 0.0001180300000000, 0.0011868900000000 ] - [ 0.0001180800000000, -0.0001180500000000, 0.0009312500000000 ] - [ -0.0000616400000000, 0.0000613400000000, 0.0010267300000000 ] - [ -0.0000593300000000, -0.0000593300000000, 0.0010995600000000 ] - [ 0.0000000700000000, 0.0000000800000000, 0.0028412100000000 ] - [ -0.0000000100000000, -0.0000001800000000, 0.0029211200000000 ] - [ -0.0001365100000000, -0.0001365100000000, 0.0011189500000000 ] - [ 0.0000613400000000, -0.0000616400000000, 0.0010267300000000 ] - [ -0.0000256000000000, 0.0000213400000000, 0.0012383100000000 ] - [ -0.0001175700000000, -0.0001175700000000, 0.0011879300000000 ] - [ 0.0000000800000000, 0.0000000700000000, 0.0028412100000000 ] - [ 0.0000213400000000, -0.0000256000000000, 0.0012383100000000 ] - [ 0.0001376600000000, 0.0001376600000000, 0.0011107900000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000001300000000, 0.0000001300000000, 0.0004729800000000 ] - [ 0.0000240700000000, 0.0000240700000000, 0.0006447900000000 ] - [ -0.0000000400000000, -0.0000000400000000, 0.0004738500000000 ] - [ 0.0000000500000000, 0.0000000500000000, 0.0006034600000000 ] - [ 0.0016551300000000, 0.0016551300000000, -0.0106172500000000 ] - [ -0.0029441800000000, -0.0029441800000000, -0.0021879000000000 ] - [ 0.0027324900000000, 0.0027324900000000, -0.0024965500000000 ] - [ -0.0000571900000000, -0.0000571900000000, 0.0015987000000000 ] - [ -0.0009885800000000, -0.0009885800000000, -0.0093790000000000 ] - [ 0.0000753100000000, 0.0000753100000000, 0.0013470000000000 ] - [ -0.0000003200000000, -0.0000003200000000, 0.0012108100000000 ] - [ -0.0000002000000000, -0.0000002000000000, 0.0013333300000000 ] - [ -0.0000004200000000, -0.0000004200000000, 0.0015158200000000 ] - [ 0.0000004000000000, 0.0000004000000000, 0.0014611100000000 ] - [ -0.0000005100000000, -0.0000005100000000, 0.0013318200000000 ] - [ -0.0000004700000000, -0.0000004700000000, 0.0011855400000000 ] - [ -0.0000005100000000, -0.0000005100000000, 0.0025437000000000 ] - [ -0.0001256000000000, -0.0001256000000000, 0.0021019800000000 ] - [ -0.0000002300000000, -0.0000002300000000, 0.0025364100000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0018282800000000 ] - [ 0.0000023900000000, 0.0000019200000000, 0.0036245300000000 ] - [ 0.0000019200000000, 0.0000023900000000, 0.0036245300000000 ] - [ -0.0002012900000000, 0.0002339000000000, -0.0308755800000000 ] - [ 0.0006386600000000, -0.0004455900000000, 0.0036846200000000 ] - [ 0.0005987000000000, -0.0007528400000000, 0.0040210700000000 ] - [ 0.0002339000000000, -0.0002012900000000, -0.0308755800000000 ] - [ -0.0004455900000000, 0.0006386600000000, 0.0036846200000000 ] - [ -0.0000008100000000, 0.0000016700000000, 0.0037691600000000 ] - [ -0.0007528400000000, 0.0005987000000000, 0.0040210700000000 ] - [ 0.0000016700000000, -0.0000008100000000, 0.0037691600000000 ] - [ -0.0000017400000000, 0.0000011400000000, 0.0036491300000000 ] - [ 0.0000011400000000, -0.0000017400000000, 0.0036491300000000 ] - [ 0.0000004000000000, -0.0000005900000000, 0.0035833100000000 ] - [ -0.0000033900000000, 0.0000019400000000, 0.0035626600000000 ] - [ 0.0000003000000000, -0.0000003800000000, 0.0038251700000000 ] - [ -0.0000005900000000, 0.0000004000000000, 0.0035833100000000 ] - [ 0.0000019400000000, -0.0000033900000000, 0.0035626600000000 ] - [ -0.0000018700000000, -0.0000067700000000, 0.0037768300000000 ] - [ -0.0000003800000000, 0.0000003000000000, 0.0038251700000000 ] - [ -0.0000067700000000, -0.0000018700000000, 0.0037768300000000 ] - [ -0.0000008000000000, -0.0000027200000000, -0.0029923000000000 ] - [ 0.0002067400000000, 0.0002067400000000, -0.0011364000000000 ] - [ 0.0001860700000000, -0.0001919400000000, -0.0010227400000000 ] - [ -0.0000295700000000, -0.0000299100000000, -0.0025335900000000 ] - [ -0.0000027200000000, -0.0000008000000000, -0.0029923000000000 ] - [ 0.0003831300000000, 0.0003831300000000, -0.0027098500000000 ] - [ -0.0001919400000000, 0.0001860700000000, -0.0010227400000000 ] - [ 0.0005209800000000, -0.0006798300000000, -0.0008037100000000 ] - [ -0.0002036500000000, -0.0002036500000000, -0.0011345700000000 ] - [ 0.0087523500000000, -0.0102095700000000, -0.0024685600000000 ] - [ -0.0000299100000000, -0.0000295700000000, -0.0025335900000000 ] - [ -0.0004085200000000, -0.0004085200000000, 0.0647044800000000 ] - [ -0.0006798300000000, 0.0005209800000000, -0.0008037100000000 ] - [ -0.0000460200000000, 0.0001140100000000, 0.0123379600000000 ] - [ -0.0002105200000000, -0.0002105200000000, -0.0010833200000000 ] - [ 0.0099103600000000, -0.0084959200000000, -0.0024883300000000 ] - [ -0.0102095700000000, 0.0087523500000000, -0.0024685600000000 ] - [ -0.0002661000000000, -0.0002661000000000, -0.0026584400000000 ] - [ 0.0001140100000000, -0.0000460200000000, 0.0123379600000000 ] - [ -0.0003954500000000, 0.0005005100000000, -0.0007926000000000 ] - [ 0.0000159400000000, 0.0000159400000000, 0.0033524700000000 ] - [ 0.0000499900000000, 0.0000063100000000, -0.0027649200000000 ] - [ -0.0084959200000000, 0.0099103600000000, -0.0024883300000000 ] - [ 0.0000208200000000, 0.0000208200000000, -0.0009224400000000 ] - [ 0.0005005100000000, -0.0003954500000000, -0.0007926000000000 ] - [ 0.0001556700000000, -0.0001563400000000, -0.0010090700000000 ] - [ 0.0000816300000000, 0.0000816300000000, -0.0008410800000000 ] - [ 0.0000063100000000, 0.0000499900000000, -0.0027649200000000 ] - [ -0.0001563400000000, 0.0001556700000000, -0.0010090700000000 ] - [ -0.0000211100000000, -0.0000211100000000, -0.0009232000000000 ] - [ 0.0000028500000000, 0.0000012400000000, -0.0030002400000000 ] - [ 0.0001959200000000, 0.0001959200000000, -0.0011095600000000 ] - [ 0.0001538300000000, -0.0001533900000000, -0.0009998600000000 ] - [ 0.0000000900000000, 0.0000001600000000, -0.0027997000000000 ] - [ 0.0000012400000000, 0.0000028500000000, -0.0030002400000000 ] - [ 0.0000396800000000, 0.0000396800000000, -0.0012309000000000 ] - [ -0.0001533900000000, 0.0001538300000000, -0.0009998600000000 ] - [ 0.0001420800000000, -0.0001426800000000, -0.0010726800000000 ] - [ -0.0001968900000000, -0.0001968900000000, -0.0011107700000000 ] - [ -0.0000001400000000, 0.0000000700000000, -0.0028448900000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0027997000000000 ] - [ 0.0000616900000000, 0.0000616900000000, -0.0010268300000000 ] - [ -0.0001426800000000, 0.0001420800000000, -0.0010726800000000 ] - [ -0.0001179200000000, 0.0001177100000000, -0.0011876000000000 ] - [ -0.0000369500000000, -0.0000369500000000, -0.0012300000000000 ] - [ -0.0000001100000000, -0.0000000100000000, -0.0029194500000000 ] - [ 0.0000000700000000, -0.0000001400000000, -0.0028448900000000 ] - [ 0.0001190000000000, 0.0001190000000000, -0.0009310400000000 ] - [ 0.0001177100000000, -0.0001179200000000, -0.0011876000000000 ] - [ -0.0000599900000000, 0.0000597100000000, -0.0010999500000000 ] - [ -0.0000615200000000, -0.0000615200000000, -0.0010270600000000 ] - [ -0.0000004000000000, -0.0000000300000000, -0.0029622900000000 ] - [ -0.0000000100000000, -0.0000001100000000, -0.0029194500000000 ] - [ 0.0000143600000000, 0.0000143600000000, -0.0009654300000000 ] - [ 0.0000597100000000, -0.0000599900000000, -0.0010999500000000 ] - [ 0.0001425900000000, -0.0001386700000000, -0.0010147000000000 ] - [ -0.0001183800000000, -0.0001183800000000, -0.0009312300000000 ] - [ -0.0000000300000000, -0.0000004000000000, -0.0029622900000000 ] - [ -0.0001386700000000, 0.0001425900000000, -0.0010147000000000 ] - [ -0.0000154500000000, -0.0000154500000000, -0.0009570500000000 ]- atom: 54 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000200000000, 0.0000003500000000, -0.0000665800000000 ] - [ 0.0000064900000000, 0.0000077900000000, 0.0000512000000000 ] - [ -0.0000005800000000, -0.0000002600000000, -0.0000656200000000 ] - [ 0.0000000400000000, 0.0000006300000000, 0.0000670000000000 ] - [ -0.0002525900000000, 0.0019901400000000, 0.0031308300000000 ] - [ 0.0036024800000000, 0.0003150900000000, -0.0012445900000000 ] - [ 0.0037383900000000, 0.0002000200000000, 0.0012977200000000 ] - [ 0.0000130200000000, 0.0000126700000000, 0.0001635300000000 ] - [ -0.0002500900000000, 0.0020001700000000, -0.0032242900000000 ] - [ -0.0000088200000000, -0.0000025600000000, -0.0000626800000000 ] - [ -0.0000002100000000, 0.0000002700000000, -0.0001253500000000 ] - [ 0.0000000100000000, 0.0000013700000000, 0.0000009200000000 ] - [ -0.0000006400000000, 0.0000004900000000, 0.0001596200000000 ] - [ -0.0000000300000000, -0.0000004000000000, 0.0001249000000000 ] - [ 0.0000002200000000, -0.0000004000000000, 0.0000005200000000 ] - [ 0.0000002400000000, 0.0000002600000000, -0.0001591900000000 ] - [ -0.0000013300000000, -0.0000001600000000, 0.0003461300000000 ] - [ -0.0000209200000000, -0.0000052400000000, -0.0004894700000000 ] - [ 0.0000004000000000, 0.0000002100000000, 0.0003523300000000 ] - [ -0.0000004600000000, 0.0000004800000000, -0.0003483800000000 ] - [ -0.0000132900000000, -0.0000020100000000, 0.0000840100000000 ] - [ 0.0000102100000000, -0.0000049800000000, -0.0000799900000000 ] - [ 0.0032100800000000, 0.0083223200000000, -0.0005577700000000 ] - [ 0.0000427900000000, -0.0001398700000000, 0.0082328300000000 ] - [ -0.0001887500000000, -0.0001165700000000, 0.0073490400000000 ] - [ -0.0022348800000000, -0.0045714800000000, 0.0002136500000000 ] - [ -0.0001730500000000, -0.0001479700000000, -0.0072397500000000 ] - [ -0.0000005300000000, -0.0000016200000000, 0.0000942400000000 ] - [ 0.0000036900000000, -0.0001620000000000, -0.0082602900000000 ] - [ -0.0000004800000000, 0.0000006900000000, 0.0001215500000000 ] - [ 0.0000011000000000, 0.0000003400000000, 0.0000174500000000 ] - [ -0.0000023000000000, -0.0000022500000000, -0.0000159000000000 ] - [ -0.0000005000000000, -0.0000002300000000, -0.0001247000000000 ] - [ 0.0000012600000000, 0.0000001200000000, -0.0001053000000000 ] - [ -0.0000009500000000, 0.0000000200000000, 0.0001316900000000 ] - [ -0.0000003100000000, 0.0000006200000000, -0.0001269800000000 ] - [ -0.0000024600000000, -0.0000002200000000, -0.0001072500000000 ] - [ -0.0000124200000000, -0.0000046200000000, 0.0000215100000000 ] - [ 0.0000002700000000, 0.0000001100000000, 0.0001248600000000 ] - [ -0.0000000600000000, -0.0000112000000000, 0.0001865200000000 ] - [ 0.0000044100000000, 0.0000041000000000, -0.0001749800000000 ] - [ -0.0000115200000000, 0.0000446100000000, -0.0000517000000000 ] - [ -0.0000234000000000, 0.0000248900000000, 0.0000479600000000 ] - [ 0.0000755100000000, 0.0001301900000000, 0.0007214600000000 ] - [ 0.0000008400000000, 0.0000062100000000, -0.0000445800000000 ] - [ 0.0014201900000000, -0.0006997200000000, 0.0003539900000000 ] - [ 0.0000450300000000, -0.0000065100000000, 0.0000546100000000 ] - [ 0.0031400600000000, 0.0017952800000000, -0.0005584300000000 ] - [ 0.0000044500000000, -0.0000420600000000, -0.0000447600000000 ] - [ 0.0067679200000000, 0.0071704800000000, -0.0177649300000000 ] - [ 0.0000552300000000, 0.0001092400000000, -0.0006169100000000 ] - [ -0.0107207500000000, 0.0118265500000000, -0.0000188100000000 ] - [ -0.0022960500000000, -0.0015763800000000, -0.0003095900000000 ] - [ -0.1236593200000000, -0.0667566400000000, -0.0001194200000000 ] - [ -0.0016224900000000, 0.0007279200000000, 0.0004743100000000 ] - [ 0.0040284800000000, 0.0075310500000000, -0.0142603100000000 ] - [ 0.0038734600000000, 0.0073129800000000, 0.0139681200000000 ] - [ 0.0018209200000000, -0.0006738700000000, -0.0002309100000000 ] - [ 0.0380199800000000, 0.0286135400000000, -0.0000864500000000 ] - [ 0.0029813500000000, 0.0019307500000000, 0.0003473500000000 ] - [ 0.0656121700000000, -0.0117726700000000, 0.0000386400000000 ] - [ 0.0000765400000000, 0.0001068300000000, 0.0005975700000000 ] - [ 0.0069786400000000, 0.0073845000000000, 0.0182586300000000 ] - [ -0.0000529700000000, -0.0000704000000000, 0.0000729200000000 ] - [ -0.0021238700000000, -0.0017112700000000, 0.0001661000000000 ] - [ 0.0000641100000000, -0.0000480100000000, 0.0001125400000000 ] - [ -0.0020125900000000, 0.0006754700000000, -0.0003390500000000 ] - [ 0.0000826100000000, 0.0001263400000000, -0.0006139900000000 ] - [ -0.0000634800000000, 0.0000503100000000, 0.0001127300000000 ] - [ 0.0000522400000000, 0.0000707800000000, 0.0000739600000000 ] - [ 0.0000029000000000, 0.0000070500000000, -0.0001699500000000 ] - [ 0.0000263900000000, 0.0000153300000000, -0.0000601400000000 ] - [ -0.0000152200000000, 0.0000261100000000, 0.0000601900000000 ] - [ 0.0000002600000000, 0.0000005500000000, 0.0001133200000000 ] - [ 0.0000052800000000, 0.0000054500000000, -0.0000368500000000 ] - [ -0.0000587800000000, -0.0000560700000000, -0.0001133900000000 ] - [ 0.0000166100000000, -0.0000237600000000, 0.0000598100000000 ] - [ 0.0000597900000000, -0.0000630400000000, -0.0000734400000000 ] - [ -0.0000269900000000, -0.0000145800000000, -0.0000609800000000 ] - [ -0.0000002300000000, -0.0000000300000000, 0.0000630200000000 ] - [ -0.0000000300000000, 0.0000006500000000, 0.0000990400000000 ] - [ 0.0000592900000000, 0.0000638800000000, 0.0000342700000000 ] - [ -0.0000597000000000, 0.0000633400000000, -0.0000737400000000 ] - [ -0.0001216200000000, 0.0001171300000000, -0.0001303600000000 ] - [ 0.0000586900000000, 0.0000557700000000, -0.0001135800000000 ] - [ -0.0000000600000000, 0.0000003300000000, -0.0000047800000000 ] - [ -0.0000000400000000, 0.0000002800000000, 0.0000683400000000 ] - [ 0.0001154900000000, 0.0001225100000000, 0.0001294800000000 ] - [ 0.0001207400000000, -0.0001172400000000, -0.0001302900000000 ] - [ -0.0000648600000000, 0.0000580800000000, -0.0000350100000000 ] - [ -0.0000597800000000, -0.0000631700000000, 0.0000341800000000 ] - [ 0.0000002200000000, 0.0000004100000000, -0.0000615200000000 ] - [ -0.0000002300000000, 0.0000002200000000, 0.0000024800000000 ] - [ -0.0000900500000000, -0.0000303500000000, 0.0000584800000000 ] - [ 0.0000650800000000, -0.0000581400000000, -0.0000349300000000 ] - [ 0.0000517500000000, -0.0000618400000000, 0.0001191700000000 ] - [ -0.0001158300000000, -0.0001219700000000, 0.0001299300000000 ] - [ -0.0000001300000000, 0.0000009700000000, -0.0000777300000000 ] - [ -0.0000322000000000, 0.0000778500000000, 0.0001175700000000 ] - [ 0.0000805400000000, 0.0000297000000000, 0.0000534200000000 ]- atom: 54 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000009400000000, -0.0000001900000000, -0.0000672500000000 ] - [ -0.0000074600000000, -0.0000082800000000, 0.0000809800000000 ] - [ -0.0000004300000000, -0.0000001100000000, -0.0000686900000000 ] - [ -0.0000009900000000, -0.0000004900000000, 0.0000667700000000 ] - [ 0.0003818700000000, -0.0020729600000000, -0.0034834500000000 ] - [ -0.0037582200000000, -0.0001671600000000, 0.0014721800000000 ] - [ -0.0038942200000000, -0.0000543100000000, -0.0012102500000000 ] - [ -0.0000155500000000, -0.0000125100000000, 0.0000881800000000 ] - [ 0.0003810300000000, -0.0020859800000000, 0.0033301800000000 ] - [ 0.0000082900000000, 0.0000014300000000, -0.0002520400000000 ] - [ -0.0000004100000000, 0.0000001400000000, -0.0001272400000000 ] - [ -0.0000001800000000, 0.0000010600000000, 0.0000002000000000 ] - [ -0.0000007200000000, 0.0000004000000000, 0.0001591400000000 ] - [ -0.0000002900000000, -0.0000004300000000, 0.0001253900000000 ] - [ -0.0000003200000000, -0.0000005700000000, 0.0000005300000000 ] - [ -0.0000002300000000, 0.0000000300000000, -0.0001595200000000 ] - [ -0.0000004500000000, 0.0000008600000000, 0.0003522000000000 ] - [ 0.0000200100000000, 0.0000037200000000, -0.0002130000000000 ] - [ -0.0000011100000000, -0.0000015500000000, 0.0003448600000000 ] - [ -0.0000009300000000, 0.0000002500000000, -0.0003479500000000 ] - [ 0.0000066900000000, 0.0000021500000000, -0.0000750500000000 ] - [ -0.0000043600000000, 0.0000079000000000, 0.0000740000000000 ] - [ -0.0009779500000000, -0.0063549500000000, 0.0002885100000000 ] - [ -0.0000498300000000, 0.0001351900000000, -0.0084007800000000 ] - [ 0.0001957100000000, 0.0001209200000000, -0.0070872000000000 ] - [ 0.0010574200000000, 0.0027105200000000, -0.0004776800000000 ] - [ 0.0001768100000000, 0.0001485800000000, 0.0070211900000000 ] - [ 0.0000010600000000, -0.0000011400000000, 0.0001236500000000 ] - [ -0.0000118700000000, 0.0001547600000000, 0.0084644500000000 ] - [ -0.0000023300000000, 0.0000022500000000, 0.0000865000000000 ] - [ 0.0000039900000000, 0.0000007700000000, -0.0000175700000000 ] - [ -0.0000031100000000, -0.0000007100000000, 0.0000137500000000 ] - [ -0.0000002900000000, -0.0000004400000000, -0.0001258700000000 ] - [ 0.0000012800000000, 0.0000002800000000, -0.0001093400000000 ] - [ -0.0000008900000000, -0.0000002400000000, 0.0001256500000000 ] - [ -0.0000007200000000, 0.0000004100000000, -0.0001279900000000 ] - [ -0.0000019000000000, -0.0000002500000000, -0.0001051400000000 ] - [ 0.0000111100000000, 0.0000044500000000, 0.0001947400000000 ] - [ 0.0000007100000000, 0.0000009500000000, 0.0001261400000000 ] - [ -0.0000000300000000, 0.0000114800000000, 0.0000273500000000 ] - [ -0.0000046300000000, -0.0000039300000000, -0.0000263200000000 ] - [ 0.0000540700000000, -0.0000072100000000, -0.0000662600000000 ] - [ -0.0000137000000000, 0.0000199000000000, 0.0000713600000000 ] - [ -0.0000768300000000, -0.0001305100000000, -0.0005078700000000 ] - [ -0.0000022900000000, -0.0000063400000000, -0.0001722500000000 ] - [ -0.0015328300000000, 0.0005904500000000, -0.0005747100000000 ] - [ -0.0000066900000000, -0.0000385800000000, 0.0000646800000000 ] - [ -0.0030048300000000, -0.0019057100000000, 0.0004216800000000 ] - [ -0.0000500900000000, 0.0000045700000000, -0.0000741000000000 ] - [ -0.0068277000000000, -0.0071525100000000, 0.0176911800000000 ] - [ -0.0000551200000000, -0.0001070100000000, 0.0008194300000000 ] - [ 0.0107151200000000, -0.0115155100000000, 0.0000905500000000 ] - [ 0.0021630200000000, 0.0016890200000000, 0.0001618100000000 ] - [ 0.1222799700000000, 0.0664450400000000, -0.0001184200000000 ] - [ 0.0017339800000000, -0.0006158400000000, -0.0006995200000000 ] - [ -0.0039267100000000, -0.0074982700000000, 0.0143242500000000 ] - [ -0.0037724100000000, -0.0072805300000000, -0.0139009400000000 ] - [ -0.0015809900000000, 0.0009190400000000, 0.0004883300000000 ] - [ -0.0376664300000000, -0.0287681200000000, -0.0001717400000000 ] - [ -0.0030953100000000, -0.0017974300000000, -0.0004266800000000 ] - [ -0.0656183100000000, 0.0115795400000000, 0.0000290500000000 ] - [ -0.0000763600000000, -0.0001048500000000, -0.0007251700000000 ] - [ -0.0070382100000000, -0.0073676800000000, -0.0180489400000000 ] - [ -0.0000633800000000, -0.0000587200000000, 0.0000725200000000 ] - [ 0.0022398600000000, 0.0015817600000000, -0.0002344400000000 ] - [ 0.0000552400000000, -0.0000594900000000, 0.0001124700000000 ] - [ 0.0017733400000000, -0.0009177100000000, 0.0006000200000000 ] - [ -0.0000833500000000, -0.0001267800000000, 0.0004844300000000 ] - [ -0.0000572200000000, 0.0000599300000000, 0.0001121800000000 ] - [ 0.0000629500000000, 0.0000586000000000, 0.0000722500000000 ] - [ -0.0000040500000000, -0.0000077400000000, -0.0000407500000000 ] - [ 0.0000175700000000, 0.0000242100000000, -0.0000584700000000 ] - [ -0.0000240800000000, 0.0000178700000000, 0.0000596900000000 ] - [ -0.0000005000000000, -0.0000005800000000, 0.0001021400000000 ] - [ -0.0000060000000000, -0.0000049900000000, -0.0001782600000000 ] - [ -0.0000578500000000, -0.0000580800000000, -0.0001123900000000 ] - [ 0.0000216900000000, -0.0000171600000000, 0.0000597400000000 ] - [ 0.0000611500000000, -0.0000614900000000, -0.0000729400000000 ] - [ -0.0000176100000000, -0.0000234700000000, -0.0000578100000000 ] - [ -0.0000005400000000, -0.0000003400000000, 0.0000656500000000 ] - [ -0.0000011300000000, -0.0000003800000000, 0.0001138800000000 ] - [ 0.0000599100000000, 0.0000631500000000, 0.0000348100000000 ] - [ -0.0000617900000000, 0.0000610700000000, -0.0000731800000000 ] - [ -0.0001211600000000, 0.0001179600000000, -0.0001297200000000 ] - [ 0.0000573000000000, 0.0000575500000000, -0.0001124700000000 ] - [ -0.0000004300000000, 0.0000000800000000, -0.0000007900000000 ] - [ -0.0000004200000000, -0.0000000400000000, 0.0000660600000000 ] - [ 0.0001171000000000, 0.0001206600000000, 0.0001297500000000 ] - [ 0.0001195600000000, -0.0001185800000000, -0.0001295900000000 ] - [ -0.0000631400000000, 0.0000597900000000, -0.0000345500000000 ] - [ -0.0000608800000000, -0.0000626200000000, 0.0000347600000000 ] - [ -0.0000006300000000, -0.0000006000000000, -0.0000730900000000 ] - [ -0.0000005500000000, -0.0000001100000000, 0.0000017400000000 ] - [ -0.0000338300000000, -0.0000925400000000, 0.0000869700000000 ] - [ 0.0000626900000000, -0.0000605000000000, -0.0000339900000000 ] - [ 0.0000629200000000, -0.0000534600000000, 0.0001056600000000 ] - [ -0.0001180200000000, -0.0001203600000000, 0.0001300900000000 ] - [ -0.0000007800000000, 0.0000000200000000, -0.0000605100000000 ] - [ -0.0000830500000000, 0.0000360600000000, 0.0001067300000000 ] - [ 0.0000421800000000, 0.0000932700000000, 0.0000914300000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000004600000000, 0.0000004600000000, -0.0006053800000000 ] - [ -0.0000348300000000, 0.0000348300000000, -0.0005431700000000 ] - [ 0.0000001100000000, -0.0000001100000000, -0.0006046800000000 ] - [ -0.0000000700000000, 0.0000000700000000, -0.0004681700000000 ] - [ 0.0028883200000000, -0.0028883200000000, 0.0020497600000000 ] - [ -0.0015348100000000, 0.0015348100000000, 0.0104615400000000 ] - [ 0.0014265800000000, -0.0014265800000000, 0.0099067800000000 ] - [ 0.0000791800000000, -0.0000791800000000, -0.0013728300000000 ] - [ -0.0028750100000000, 0.0028750100000000, 0.0026006400000000 ] - [ -0.0000606300000000, 0.0000606300000000, -0.0016468800000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0014536300000000 ] - [ -0.0000001500000000, 0.0000001500000000, -0.0013291800000000 ] - [ -0.0000002100000000, 0.0000002100000000, -0.0011864400000000 ] - [ 0.0000001700000000, -0.0000001700000000, -0.0012092000000000 ] - [ 0.0000000600000000, -0.0000000600000000, -0.0013291200000000 ] - [ 0.0000002200000000, -0.0000002200000000, -0.0015040200000000 ] - [ 0.0000001000000000, -0.0000001000000000, -0.0018352000000000 ] - [ 0.0000822400000000, -0.0000822400000000, -0.0027292900000000 ] - [ 0.0000002100000000, -0.0000002100000000, -0.0018436100000000 ] - [ 0.0000000900000000, -0.0000000900000000, -0.0025137000000000 ] - [ 0.0000086700000000, -0.0000019500000000, -0.0036680000000000 ] - [ 0.0000019500000000, -0.0000086700000000, -0.0036680000000000 ] - [ -0.0002837800000000, -0.0002508100000000, 0.0307451600000000 ] - [ -0.0005545900000000, -0.0007633800000000, -0.0039358600000000 ] - [ -0.0007433800000000, -0.0005982100000000, -0.0037375600000000 ] - [ 0.0002508100000000, 0.0002837800000000, 0.0307451600000000 ] - [ 0.0007633800000000, 0.0005545900000000, -0.0039358600000000 ] - [ 0.0000039100000000, 0.0000020800000000, -0.0035456400000000 ] - [ 0.0005982100000000, 0.0007433800000000, -0.0037375600000000 ] - [ -0.0000020800000000, -0.0000039100000000, -0.0035456400000000 ] - [ -0.0000018000000000, -0.0000006800000000, -0.0036389800000000 ] - [ 0.0000006800000000, 0.0000018000000000, -0.0036389800000000 ] - [ -0.0000028400000000, -0.0000020700000000, -0.0038132700000000 ] - [ -0.0000012500000000, -0.0000014700000000, -0.0037616900000000 ] - [ 0.0000025300000000, 0.0000018900000000, -0.0035682300000000 ] - [ 0.0000020700000000, 0.0000028400000000, -0.0038132700000000 ] - [ 0.0000014700000000, 0.0000012500000000, -0.0037616900000000 ] - [ -0.0000044400000000, 0.0000023000000000, -0.0035467600000000 ] - [ -0.0000018900000000, -0.0000025300000000, -0.0035682300000000 ] - [ -0.0000023000000000, 0.0000044400000000, -0.0035467600000000 ] - [ -0.0000032200000000, 0.0000009500000000, 0.0027754900000000 ] - [ -0.0001490800000000, -0.0001438300000000, 0.0009934300000000 ] - [ -0.0001984400000000, 0.0001984400000000, 0.0011565900000000 ] - [ -0.0000632500000000, 0.0000126100000000, 0.0028393800000000 ] - [ -0.0000009500000000, 0.0000032200000000, 0.0027754900000000 ] - [ 0.0001735600000000, 0.0003438400000000, 0.0008837000000000 ] - [ 0.0001924200000000, -0.0001924200000000, 0.0011379600000000 ] - [ 0.0003063100000000, -0.0003063100000000, 0.0025634200000000 ] - [ 0.0001438300000000, 0.0001490800000000, 0.0009934300000000 ] - [ -0.0098402500000000, -0.0084527300000000, 0.0025053500000000 ] - [ -0.0000126100000000, 0.0000632500000000, 0.0028393800000000 ] - [ -0.0000034800000000, 0.0000593700000000, -0.0124319800000000 ] - [ -0.0001948700000000, 0.0001948700000000, 0.0007745400000000 ] - [ 0.0001155900000000, -0.0001155900000000, -0.0654206400000000 ] - [ -0.0003438400000000, -0.0001735600000000, 0.0008837000000000 ] - [ -0.0088494200000000, -0.0102890300000000, 0.0025155000000000 ] - [ 0.0084527300000000, 0.0098402500000000, 0.0025053500000000 ] - [ -0.0002448400000000, -0.0003550000000000, 0.0008441400000000 ] - [ 0.0000605200000000, -0.0000605200000000, -0.0035790600000000 ] - [ -0.0004367000000000, 0.0004367000000000, 0.0027768500000000 ] - [ -0.0000593700000000, 0.0000034800000000, -0.0124319800000000 ] - [ 0.0000110000000000, -0.0000411100000000, 0.0026219400000000 ] - [ 0.0102890300000000, 0.0088494200000000, 0.0025155000000000 ] - [ -0.0001404800000000, -0.0001399100000000, 0.0010635400000000 ] - [ 0.0002490300000000, -0.0002490300000000, 0.0009260200000000 ] - [ -0.0000407400000000, 0.0000407400000000, 0.0012251500000000 ] - [ 0.0003550000000000, 0.0002448400000000, 0.0008441400000000 ] - [ 0.0000411100000000, -0.0000110000000000, 0.0026219400000000 ] - [ 0.0000381900000000, -0.0000381900000000, 0.0012250300000000 ] - [ 0.0001399100000000, 0.0001404800000000, 0.0010635400000000 ] - [ 0.0000001000000000, -0.0000028900000000, 0.0027697100000000 ] - [ -0.0001558800000000, -0.0001561700000000, 0.0009955000000000 ] - [ -0.0001954800000000, 0.0001954800000000, 0.0011074700000000 ] - [ 0.0000000200000000, 0.0000000300000000, 0.0030027500000000 ] - [ 0.0000028900000000, -0.0000001000000000, 0.0027697100000000 ] - [ -0.0001531400000000, -0.0001529000000000, 0.0010045500000000 ] - [ 0.0001969200000000, -0.0001969200000000, 0.0011075100000000 ] - [ -0.0000220400000000, 0.0000220400000000, 0.0009207100000000 ] - [ 0.0001561700000000, 0.0001558800000000, 0.0009955000000000 ] - [ -0.0000000700000000, 0.0000000700000000, 0.0029636900000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0030027500000000 ] - [ 0.0000591400000000, 0.0000593100000000, 0.0010942800000000 ] - [ 0.0000216100000000, -0.0000216100000000, 0.0009213500000000 ] - [ -0.0001173800000000, 0.0001173800000000, 0.0009258700000000 ] - [ 0.0001529000000000, 0.0001531400000000, 0.0010045500000000 ] - [ -0.0000000500000000, 0.0000002300000000, 0.0029083600000000 ] - [ -0.0000000700000000, 0.0000000700000000, 0.0029636900000000 ] - [ 0.0001179300000000, 0.0001179700000000, 0.0011839700000000 ] - [ 0.0001181400000000, -0.0001181400000000, 0.0009262000000000 ] - [ -0.0000619200000000, 0.0000619200000000, 0.0010230500000000 ] - [ -0.0000593100000000, -0.0000591400000000, 0.0010942800000000 ] - [ 0.0000000500000000, 0.0000002200000000, 0.0028199400000000 ] - [ -0.0000002300000000, 0.0000000500000000, 0.0029083600000000 ] - [ -0.0001567600000000, -0.0001616200000000, 0.0010649200000000 ] - [ 0.0000609600000000, -0.0000609600000000, 0.0010248500000000 ] - [ -0.0000447100000000, 0.0000447100000000, 0.0012634300000000 ] - [ -0.0001179700000000, -0.0001179300000000, 0.0011839700000000 ] - [ -0.0000002200000000, -0.0000000500000000, 0.0028199400000000 ] - [ 0.0000436500000000, -0.0000436500000000, 0.0012548400000000 ] - [ 0.0001616200000000, 0.0001567600000000, 0.0010649200000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000001400000000, -0.0000001400000000, 0.0004716400000000 ] - [ 0.0000358800000000, -0.0000358800000000, 0.0006767000000000 ] - [ 0.0000000400000000, -0.0000000400000000, 0.0004704100000000 ] - [ -0.0000001400000000, 0.0000001400000000, 0.0006010300000000 ] - [ -0.0028527500000000, 0.0028527500000000, -0.0024291400000000 ] - [ 0.0012957000000000, -0.0012957000000000, -0.0100406100000000 ] - [ -0.0016670700000000, 0.0016670700000000, -0.0100021700000000 ] - [ -0.0000772600000000, 0.0000772600000000, 0.0016209100000000 ] - [ 0.0029109500000000, -0.0029109500000000, -0.0024646600000000 ] - [ 0.0000589400000000, -0.0000589400000000, 0.0013227900000000 ] - [ 0.0000002700000000, -0.0000002700000000, 0.0012058800000000 ] - [ -0.0000004900000000, 0.0000004900000000, 0.0013286300000000 ] - [ -0.0000004200000000, 0.0000004200000000, 0.0015112700000000 ] - [ 0.0000001300000000, -0.0000001300000000, 0.0014562900000000 ] - [ 0.0000001500000000, -0.0000001500000000, 0.0013271700000000 ] - [ 0.0000002800000000, -0.0000002800000000, 0.0011802300000000 ] - [ -0.0000007700000000, 0.0000007700000000, 0.0025266900000000 ] - [ -0.0000849300000000, 0.0000849300000000, 0.0020374800000000 ] - [ -0.0000001500000000, 0.0000001500000000, 0.0025329100000000 ] - [ -0.0000001500000000, 0.0000001500000000, 0.0018202700000000 ] - [ -0.0000067800000000, 0.0000033000000000, 0.0036685200000000 ] - [ -0.0000033000000000, 0.0000067800000000, 0.0036685200000000 ] - [ -0.0000048600000000, 0.0000049400000000, -0.0309858100000000 ] - [ 0.0005623700000000, 0.0007723800000000, 0.0037294500000000 ] - [ 0.0007404400000000, 0.0005941500000000, 0.0039865600000000 ] - [ -0.0000049400000000, 0.0000048600000000, -0.0309858100000000 ] - [ -0.0007723800000000, -0.0005623700000000, 0.0037294500000000 ] - [ 0.0000024000000000, 0.0000018600000000, 0.0037575200000000 ] - [ -0.0005941500000000, -0.0007404400000000, 0.0039865600000000 ] - [ -0.0000018600000000, -0.0000024000000000, 0.0037575200000000 ] - [ -0.0000007800000000, -0.0000011800000000, 0.0036327500000000 ] - [ 0.0000011800000000, 0.0000007800000000, 0.0036327500000000 ] - [ -0.0000007600000000, -0.0000006500000000, 0.0035693700000000 ] - [ -0.0000008200000000, -0.0000012200000000, 0.0035489200000000 ] - [ 0.0000005800000000, 0.0000004000000000, 0.0038113000000000 ] - [ 0.0000006500000000, 0.0000007600000000, 0.0035693700000000 ] - [ 0.0000012200000000, 0.0000008200000000, 0.0035489200000000 ] - [ 0.0000054500000000, -0.0000009700000000, 0.0037601500000000 ] - [ -0.0000004000000000, -0.0000005800000000, 0.0038113000000000 ] - [ 0.0000009700000000, -0.0000054500000000, 0.0037601500000000 ] - [ 0.0000032600000000, -0.0000007800000000, -0.0029899500000000 ] - [ 0.0001933900000000, 0.0001885400000000, -0.0011042700000000 ] - [ 0.0001528700000000, -0.0001528700000000, -0.0010437200000000 ] - [ 0.0000632000000000, -0.0000132400000000, -0.0026241800000000 ] - [ 0.0000007800000000, -0.0000032600000000, -0.0029899500000000 ] - [ -0.0002937000000000, -0.0004656400000000, -0.0011008600000000 ] - [ -0.0001481400000000, 0.0001481400000000, -0.0010265000000000 ] - [ -0.0001917900000000, 0.0001917900000000, -0.0027360500000000 ] - [ -0.0001885400000000, -0.0001933900000000, -0.0011042700000000 ] - [ 0.0099969700000000, 0.0085855500000000, -0.0024043700000000 ] - [ 0.0000132400000000, -0.0000632000000000, -0.0026241800000000 ] - [ 0.0000890900000000, 0.0000442400000000, 0.0125082200000000 ] - [ 0.0000758400000000, -0.0000758400000000, -0.0009150000000000 ] - [ 0.0001169700000000, -0.0001169700000000, 0.0651443100000000 ] - [ 0.0004656400000000, 0.0002937000000000, -0.0011008600000000 ] - [ 0.0087135700000000, 0.0101291100000000, -0.0024875300000000 ] - [ -0.0085855500000000, -0.0099969700000000, -0.0024043700000000 ] - [ 0.0004752500000000, 0.0005849800000000, -0.0005928400000000 ] - [ 0.0001458600000000, -0.0001458600000000, 0.0033169700000000 ] - [ 0.0003099500000000, -0.0003099500000000, -0.0028229900000000 ] - [ -0.0000442400000000, -0.0000890900000000, 0.0125082200000000 ] - [ -0.0000100200000000, 0.0000417800000000, -0.0027522200000000 ] - [ -0.0101291100000000, -0.0087135700000000, -0.0024875300000000 ] - [ 0.0000207300000000, 0.0000199500000000, -0.0009170000000000 ] - [ -0.0001296100000000, 0.0001296100000000, -0.0010055400000000 ] - [ 0.0001533700000000, -0.0001533700000000, -0.0010039500000000 ] - [ -0.0005849800000000, -0.0004752500000000, -0.0005928400000000 ] - [ -0.0000417800000000, 0.0000100200000000, -0.0027522200000000 ] - [ -0.0001552200000000, 0.0001552200000000, -0.0010049600000000 ] - [ -0.0000199500000000, -0.0000207300000000, -0.0009170000000000 ] - [ -0.0000006700000000, 0.0000027600000000, -0.0029853500000000 ] - [ 0.0001972400000000, 0.0001980500000000, -0.0011049400000000 ] - [ 0.0001533000000000, -0.0001533000000000, -0.0009961200000000 ] - [ -0.0000002300000000, 0.0000002500000000, -0.0027875000000000 ] - [ -0.0000027600000000, 0.0000006700000000, -0.0029853500000000 ] - [ 0.0000379900000000, 0.0000382200000000, -0.0012257200000000 ] - [ -0.0001529600000000, 0.0001529600000000, -0.0009958100000000 ] - [ 0.0001418600000000, -0.0001418600000000, -0.0010679800000000 ] - [ -0.0001980500000000, -0.0001972400000000, -0.0011049400000000 ] - [ -0.0000001400000000, -0.0000000400000000, -0.0028330000000000 ] - [ -0.0000002500000000, 0.0000002300000000, -0.0027875000000000 ] - [ 0.0000613500000000, 0.0000615100000000, -0.0010227700000000 ] - [ -0.0001421600000000, 0.0001421600000000, -0.0010685600000000 ] - [ -0.0001176600000000, 0.0001176600000000, -0.0011832800000000 ] - [ -0.0000382200000000, -0.0000379900000000, -0.0012257200000000 ] - [ 0.0000001000000000, 0.0000002800000000, -0.0029078100000000 ] - [ 0.0000000400000000, 0.0000001400000000, -0.0028330000000000 ] - [ 0.0001187100000000, 0.0001186300000000, -0.0009265200000000 ] - [ 0.0001179700000000, -0.0001179700000000, -0.0011830700000000 ] - [ -0.0000602700000000, 0.0000602700000000, -0.0010951900000000 ] - [ -0.0000615100000000, -0.0000613500000000, -0.0010227700000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0029511200000000 ] - [ -0.0000002800000000, -0.0000001000000000, -0.0029078100000000 ] - [ 0.0000357400000000, 0.0000403100000000, -0.0009172700000000 ] - [ 0.0000594900000000, -0.0000594900000000, -0.0010951400000000 ] - [ 0.0001602700000000, -0.0001602700000000, -0.0010413800000000 ] - [ -0.0001186300000000, -0.0001187100000000, -0.0009265200000000 ] - [ 0.0000002000000000, 0.0000000000000000, -0.0029511200000000 ] - [ -0.0001601000000000, 0.0001601000000000, -0.0010332500000000 ] - [ -0.0000403100000000, -0.0000357400000000, -0.0009172700000000 ]- atom: 56 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005000000000, 0.0000001400000000, -0.0000672600000000 ] - [ 0.0000026900000000, 0.0000033400000000, 0.0000672100000000 ] - [ 0.0000026900000000, -0.0000033400000000, -0.0000672100000000 ] - [ 0.0000005000000000, -0.0000001400000000, 0.0000672600000000 ] - [ -0.0010883400000000, -0.0003828200000000, -0.0001174800000000 ] - [ 0.0066219400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014025100000000, 0.0000406700000000, 0.0001657800000000 ] - [ -0.0010883400000000, 0.0003828200000000, 0.0001174800000000 ] - [ -0.0073469000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014025100000000, -0.0000406700000000, -0.0001657800000000 ] - [ 0.0000001700000000, 0.0000004600000000, -0.0001274900000000 ] - [ 0.0000012500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000003100000000, 0.0000001100000000, 0.0001588200000000 ] - [ 0.0000001700000000, -0.0000004600000000, 0.0001274900000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000003100000000, -0.0000001100000000, -0.0001588200000000 ] - [ -0.0000006900000000, -0.0000007200000000, 0.0003475500000000 ] - [ 0.0000017900000000, -0.0000072400000000, -0.0003474200000000 ] - [ 0.0000017900000000, 0.0000072400000000, 0.0003474200000000 ] - [ -0.0000006900000000, 0.0000007200000000, -0.0003475500000000 ] - [ -0.0000078600000000, 0.0000132600000000, 0.0000030500000000 ] - [ -0.0000050700000000, -0.0000055500000000, -0.0000040700000000 ] - [ -0.0145789400000000, 0.0026167200000000, -0.0000807900000000 ] - [ -0.0001464500000000, -0.0000806200000000, -0.0000975600000000 ] - [ 0.0151727800000000, 0.0002509600000000, 0.0000234900000000 ] - [ 0.0151727800000000, -0.0002509600000000, -0.0000234900000000 ] - [ 0.0000184700000000, 0.0001198200000000, -0.0001278600000000 ] - [ 0.0000018800000000, 0.0000005900000000, 0.0001108400000000 ] - [ -0.0145789400000000, -0.0026167200000000, 0.0000807900000000 ] - [ -0.0000027000000000, -0.0000008000000000, 0.0001097000000000 ] - [ -0.0000050700000000, 0.0000055500000000, 0.0000040700000000 ] - [ -0.0000078600000000, -0.0000132600000000, -0.0000030500000000 ] - [ 0.0000023500000000, -0.0000016300000000, -0.0001230000000000 ] - [ 0.0000018800000000, -0.0000005900000000, -0.0001108400000000 ] - [ -0.0000019600000000, -0.0000009700000000, 0.0001265900000000 ] - [ -0.0000019600000000, 0.0000009700000000, -0.0001265900000000 ] - [ -0.0000027000000000, 0.0000008000000000, -0.0001097000000000 ] - [ -0.0001464500000000, 0.0000806200000000, 0.0000975600000000 ] - [ 0.0000023500000000, 0.0000016300000000, 0.0001230000000000 ] - [ 0.0000184700000000, -0.0001198200000000, 0.0001278600000000 ] - [ 0.0000046700000000, -0.0000016300000000, -0.0001014800000000 ] - [ 0.0000303200000000, 0.0000105300000000, -0.0000601500000000 ] - [ -0.0000152800000000, 0.0000300400000000, 0.0000594600000000 ] - [ 0.0000830400000000, -0.0000227500000000, 0.0001090000000000 ] - [ 0.0000065600000000, -0.0000004400000000, -0.0001143100000000 ] - [ -0.0000017500000000, -0.0001338000000000, -0.0001641500000000 ] - [ 0.0000191200000000, -0.0000212100000000, 0.0000565900000000 ] - [ 0.0001250200000000, 0.0000591500000000, -0.0000526000000000 ] - [ -0.0000213300000000, -0.0000233900000000, -0.0000560100000000 ] - [ 0.0024166900000000, -0.0004780300000000, 0.0000274300000000 ] - [ 0.0000704000000000, 0.0000021900000000, 0.0001071400000000 ] - [ 0.0068932700000000, -0.0072656800000000, -0.0100127900000000 ] - [ 0.0000146300000000, 0.0001899000000000, -0.0000968000000000 ] - [ 0.0038214700000000, 0.0074911600000000, -0.0089429500000000 ] - [ 0.0001254400000000, -0.0000296500000000, -0.0000628000000000 ] - [ -0.0548558300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012842100000000, -0.0000797700000000, 0.0001373200000000 ] - [ 0.0041339300000000, -0.0072620800000000, -0.0086193900000000 ] - [ 0.0041339300000000, 0.0072620800000000, 0.0086193900000000 ] - [ 0.0068403500000000, 0.0073677000000000, -0.0099658000000000 ] - [ 0.0068403500000000, -0.0073677000000000, 0.0099658000000000 ] - [ 0.0024166900000000, 0.0004780300000000, -0.0000274300000000 ] - [ 0.0023606300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000549400000000, -0.0000649000000000, 0.0000739300000000 ] - [ 0.0068932700000000, 0.0072656800000000, 0.0100127900000000 ] - [ 0.0000619100000000, -0.0000530700000000, 0.0001128500000000 ] - [ 0.0038214700000000, -0.0074911600000000, 0.0089429500000000 ] - [ 0.0012842100000000, 0.0000797700000000, -0.0001373200000000 ] - [ -0.0000611000000000, 0.0000553300000000, 0.0001121300000000 ] - [ 0.0000569000000000, 0.0000641900000000, 0.0000739400000000 ] - [ 0.0000830400000000, 0.0000227500000000, -0.0001090000000000 ] - [ 0.0000191200000000, 0.0000212100000000, -0.0000565900000000 ] - [ -0.0000213300000000, 0.0000233900000000, 0.0000560100000000 ] - [ 0.0000046700000000, 0.0000016300000000, 0.0001014800000000 ] - [ 0.0000704000000000, -0.0000021900000000, -0.0001071400000000 ] - [ -0.0000611000000000, -0.0000553300000000, -0.0001121300000000 ] - [ 0.0000303200000000, -0.0000105300000000, 0.0000601500000000 ] - [ 0.0000569000000000, -0.0000641900000000, -0.0000739400000000 ] - [ -0.0000152800000000, -0.0000300400000000, -0.0000594600000000 ] - [ 0.0000012300000000, -0.0000001100000000, 0.0000636100000000 ] - [ 0.0000065600000000, 0.0000004400000000, 0.0001143100000000 ] - [ 0.0000634600000000, 0.0000606600000000, 0.0000358400000000 ] - [ -0.0000549400000000, 0.0000649000000000, -0.0000739300000000 ] - [ -0.0001173800000000, 0.0001200200000000, -0.0001289300000000 ] - [ 0.0000619100000000, 0.0000530700000000, -0.0001128500000000 ] - [ 0.0000003100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000005100000000, 0.0000002500000000, 0.0000684000000000 ] - [ 0.0001177100000000, 0.0001200600000000, 0.0001288000000000 ] - [ 0.0001177100000000, -0.0001200600000000, -0.0001288000000000 ] - [ -0.0000617000000000, 0.0000599500000000, -0.0000357100000000 ] - [ -0.0000617000000000, -0.0000599500000000, 0.0000357100000000 ] - [ 0.0000012300000000, 0.0000001100000000, -0.0000636100000000 ] - [ 0.0000009100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000146300000000, -0.0001899000000000, 0.0000968000000000 ] - [ 0.0000634600000000, -0.0000606600000000, -0.0000358400000000 ] - [ 0.0001254400000000, 0.0000296500000000, 0.0000628000000000 ] - [ -0.0001173800000000, -0.0001200200000000, 0.0001289300000000 ] - [ 0.0000005100000000, -0.0000002500000000, -0.0000684000000000 ] - [ -0.0000017500000000, 0.0001338000000000, 0.0001641500000000 ] - [ 0.0001250200000000, -0.0000591500000000, 0.0000526000000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000002000000000, 0.0000002000000000, -0.0000671900000000 ] - [ 0.0000032300000000, 0.0000002500000000, 0.0000672000000000 ] - [ -0.0000032300000000, 0.0000002500000000, -0.0000672000000000 ] - [ -0.0000002000000000, 0.0000002000000000, 0.0000671900000000 ] - [ -0.0000292600000000, 0.0013962100000000, -0.0001196600000000 ] - [ 0.0000000000000000, -0.0073208600000000, 0.0000000000000000 ] - [ 0.0003970900000000, -0.0010891100000000, 0.0001679200000000 ] - [ 0.0000292600000000, 0.0013962100000000, 0.0001196600000000 ] - [ 0.0000000000000000, 0.0066155600000000, 0.0000000000000000 ] - [ -0.0003970900000000, -0.0010891100000000, -0.0001679200000000 ] - [ -0.0000001500000000, 0.0000004800000000, -0.0001274800000000 ] - [ 0.0000000000000000, 0.0000010300000000, 0.0000000000000000 ] - [ -0.0000002500000000, 0.0000006500000000, 0.0001586800000000 ] - [ 0.0000001500000000, 0.0000004800000000, 0.0001274800000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0000000000000000 ] - [ 0.0000002500000000, 0.0000006500000000, -0.0001586800000000 ] - [ -0.0000011300000000, 0.0000009400000000, 0.0003476400000000 ] - [ -0.0000126000000000, 0.0000081500000000, -0.0003476200000000 ] - [ 0.0000126000000000, 0.0000081500000000, 0.0003476200000000 ] - [ 0.0000011300000000, 0.0000009400000000, -0.0003476400000000 ] - [ -0.0000092000000000, -0.0000105300000000, 0.0000024100000000 ] - [ 0.0000093300000000, 0.0000003500000000, -0.0000038100000000 ] - [ -0.0028321800000000, -0.0145481000000000, -0.0000809700000000 ] - [ 0.0000639300000000, -0.0001390100000000, -0.0000973800000000 ] - [ -0.0003847600000000, 0.0151692000000000, 0.0000239900000000 ] - [ 0.0003847600000000, 0.0151692000000000, -0.0000239900000000 ] - [ -0.0000550400000000, 0.0000026200000000, -0.0001277200000000 ] - [ 0.0000005100000000, 0.0000009500000000, 0.0001109800000000 ] - [ 0.0028321800000000, -0.0145481000000000, 0.0000809700000000 ] - [ -0.0000002600000000, -0.0000024600000000, 0.0001099900000000 ] - [ -0.0000093300000000, 0.0000003500000000, 0.0000038100000000 ] - [ 0.0000092000000000, -0.0000105300000000, -0.0000024100000000 ] - [ 0.0000006400000000, 0.0000024700000000, -0.0001231800000000 ] - [ -0.0000005100000000, 0.0000009500000000, -0.0001109800000000 ] - [ 0.0000001900000000, -0.0000021000000000, 0.0001266900000000 ] - [ -0.0000001900000000, -0.0000021000000000, -0.0001266900000000 ] - [ 0.0000002600000000, -0.0000024600000000, -0.0001099900000000 ] - [ -0.0000639300000000, -0.0001390100000000, 0.0000973800000000 ] - [ -0.0000006400000000, 0.0000024700000000, 0.0001231800000000 ] - [ 0.0000550400000000, 0.0000026200000000, 0.0001277200000000 ] - [ 0.0000011100000000, 0.0000045100000000, -0.0001018700000000 ] - [ 0.0000223100000000, 0.0000204800000000, -0.0000594600000000 ] - [ -0.0000088100000000, 0.0000293100000000, 0.0000541600000000 ] - [ 0.0000063000000000, 0.0000789800000000, 0.0001096000000000 ] - [ -0.0000005300000000, 0.0000054900000000, -0.0001140400000000 ] - [ -0.0001656700000000, 0.0000126800000000, -0.0001210200000000 ] - [ 0.0000249000000000, -0.0000223600000000, 0.0000619900000000 ] - [ 0.0001658700000000, 0.0000121800000000, -0.0001172000000000 ] - [ -0.0000295800000000, -0.0000132100000000, -0.0000567000000000 ] - [ 0.0004638300000000, 0.0023938700000000, 0.0000282700000000 ] - [ -0.0000053300000000, 0.0000676300000000, 0.0001068000000000 ] - [ -0.0071183800000000, 0.0039843700000000, 0.0085674900000000 ] - [ 0.0000533400000000, 0.0001415600000000, -0.0000324300000000 ] - [ 0.0074081300000000, 0.0070934400000000, -0.0103992800000000 ] - [ -0.0000393600000000, 0.0001167400000000, -0.0001057500000000 ] - [ 0.0000000000000000, -0.0551146800000000, 0.0000000000000000 ] - [ -0.0000819300000000, 0.0012947500000000, 0.0001364500000000 ] - [ -0.0074081300000000, 0.0070934400000000, 0.0103992800000000 ] - [ 0.0076213700000000, 0.0069248500000000, 0.0100180200000000 ] - [ 0.0071183800000000, 0.0039843700000000, -0.0085674900000000 ] - [ -0.0072283800000000, 0.0037849100000000, -0.0085573600000000 ] - [ -0.0004638300000000, 0.0023938700000000, -0.0000282700000000 ] - [ 0.0000000000000000, 0.0023606200000000, 0.0000000000000000 ] - [ -0.0000569900000000, -0.0000634600000000, 0.0000737200000000 ] - [ 0.0072283800000000, 0.0037849100000000, 0.0085573600000000 ] - [ 0.0000605700000000, -0.0000533600000000, 0.0001124900000000 ] - [ -0.0076213700000000, 0.0069248500000000, -0.0100180200000000 ] - [ 0.0000819300000000, 0.0012947500000000, -0.0001364500000000 ] - [ -0.0000612800000000, 0.0000562400000000, 0.0001124600000000 ] - [ 0.0000562400000000, 0.0000645300000000, 0.0000741300000000 ] - [ -0.0000063000000000, 0.0000789800000000, -0.0001096000000000 ] - [ 0.0000088100000000, 0.0000293100000000, -0.0000541600000000 ] - [ -0.0000223100000000, 0.0000204800000000, 0.0000594600000000 ] - [ -0.0000011100000000, 0.0000045100000000, 0.0001018700000000 ] - [ 0.0000053300000000, 0.0000676300000000, -0.0001068000000000 ] - [ -0.0000605700000000, -0.0000533600000000, -0.0001124900000000 ] - [ 0.0000295800000000, -0.0000132100000000, 0.0000567000000000 ] - [ 0.0000569900000000, -0.0000634600000000, -0.0000737200000000 ] - [ -0.0000249000000000, -0.0000223600000000, -0.0000619900000000 ] - [ -0.0000003000000000, 0.0000009900000000, 0.0000638700000000 ] - [ 0.0000005300000000, 0.0000054900000000, 0.0001140400000000 ] - [ 0.0000621200000000, 0.0000605400000000, 0.0000358200000000 ] - [ -0.0000562400000000, 0.0000645300000000, -0.0000741300000000 ] - [ -0.0001182100000000, 0.0001206100000000, -0.0001288700000000 ] - [ 0.0000612800000000, 0.0000562400000000, -0.0001124600000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0000000000000000 ] - [ 0.0000002000000000, 0.0000005200000000, 0.0000681400000000 ] - [ 0.0001182100000000, 0.0001206100000000, 0.0001288700000000 ] - [ 0.0001172400000000, -0.0001192700000000, -0.0001288600000000 ] - [ -0.0000621200000000, 0.0000605400000000, -0.0000358200000000 ] - [ -0.0000626500000000, -0.0000601700000000, 0.0000357400000000 ] - [ 0.0000003000000000, 0.0000009900000000, -0.0000638700000000 ] - [ 0.0000000000000000, 0.0000008200000000, 0.0000000000000000 ] - [ -0.0001658700000000, 0.0000121800000000, 0.0001172000000000 ] - [ 0.0000626500000000, -0.0000601700000000, -0.0000357400000000 ] - [ 0.0001656700000000, 0.0000126800000000, 0.0001210200000000 ] - [ -0.0001172400000000, -0.0001192700000000, 0.0001288600000000 ] - [ -0.0000002000000000, 0.0000005200000000, -0.0000681400000000 ] - [ 0.0000393600000000, 0.0001167400000000, 0.0001057500000000 ] - [ -0.0000533400000000, 0.0001415600000000, 0.0000324300000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0015370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013591300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014918300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337824700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013927600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337467400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016614400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035485700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035436200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038697800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056136100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061342300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0063134100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103268400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0351468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080020100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0390971500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0336689500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0131577500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0355562800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100471600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101526200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0077525500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100562500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0129997400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078060200000000 ] - [ -0.0005233300000000, -0.0003967100000000, 0.0028233600000000 ] - [ -0.0005519300000000, 0.0004234200000000, 0.0029253600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0094832700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080169300000000 ] - [ 0.0001195100000000, -0.0008856300000000, 0.0027467300000000 ] - [ 0.0005519300000000, -0.0004234200000000, 0.0029253600000000 ] - [ 0.0005446300000000, 0.0007149800000000, 0.0024651800000000 ] - [ 0.0005233300000000, 0.0003967100000000, 0.0028233600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022962500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073575800000000 ] - [ -0.0177669300000000, 0.0141374800000000, 0.0025923100000000 ] - [ -0.0005446300000000, -0.0007149800000000, 0.0024651800000000 ] - [ -0.0143456400000000, -0.0179435100000000, 0.0024248000000000 ] - [ -0.0001195100000000, 0.0008856300000000, 0.0027467300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2162350600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0241811800000000 ] - [ -0.0142513100000000, 0.0183757100000000, 0.0025771200000000 ] - [ 0.0143456400000000, 0.0179435100000000, 0.0024248000000000 ] - [ -0.0180780700000000, -0.0141538800000000, 0.0024123200000000 ] - [ 0.0177669300000000, -0.0141374800000000, 0.0025923100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021156200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0516152500000000 ] - [ -0.0002749000000000, -0.0002940400000000, 0.0028090500000000 ] - [ 0.0180780700000000, 0.0141538800000000, 0.0024123200000000 ] - [ -0.0001989200000000, 0.0002150200000000, 0.0031807600000000 ] - [ 0.0142513100000000, -0.0183757100000000, 0.0025771200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0244071600000000 ] - [ 0.0001989200000000, -0.0002150200000000, 0.0031807600000000 ] - [ 0.0002749000000000, 0.0002940400000000, 0.0028090500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0092932400000000 ] - [ -0.0005110000000000, -0.0003810000000000, 0.0028074800000000 ] - [ -0.0005654000000000, 0.0004365200000000, 0.0029412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080104100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071435400000000 ] - [ -0.0003155500000000, -0.0003275400000000, 0.0029565300000000 ] - [ 0.0005654000000000, -0.0004365200000000, 0.0029412000000000 ] - [ -0.0001561000000000, 0.0001697200000000, 0.0026621500000000 ] - [ 0.0005110000000000, 0.0003810000000000, 0.0028074800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080541000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0082281000000000 ] - [ 0.0000575600000000, 0.0000605600000000, 0.0029548000000000 ] - [ 0.0001561000000000, -0.0001697200000000, 0.0026621500000000 ] - [ -0.0001211700000000, 0.0001185500000000, 0.0027791100000000 ] - [ 0.0003155500000000, 0.0003275400000000, 0.0029565300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080360000000000 ] - [ 0.0001157400000000, 0.0001207700000000, 0.0030384900000000 ] - [ 0.0001211700000000, -0.0001185500000000, 0.0027791100000000 ] - [ -0.0000669500000000, 0.0000616400000000, 0.0028851600000000 ] - [ -0.0000575600000000, -0.0000605600000000, 0.0029548000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080274100000000 ] - [ 0.0004352300000000, -0.0008461100000000, 0.0026091500000000 ] - [ 0.0000669500000000, -0.0000616400000000, 0.0028851600000000 ] - [ 0.0002419300000000, 0.0007816600000000, 0.0029670200000000 ] - [ -0.0001157400000000, -0.0001207700000000, 0.0030384900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078987200000000 ] - [ -0.0002419300000000, -0.0007816600000000, 0.0029670200000000 ] - [ -0.0004352300000000, 0.0008461100000000, 0.0026091500000000 ]