# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9c474d07-92dc-467d-bc30-cd0a5993438b/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 Rb10Si6O17 / Pbca (61) / materials id 556390](https://mdr.nims.go.jp/datasets/2ff6b7ac-28da-4dce-99e6-55111c648ec3) ## 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: "Pbca" number: 61 Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.905296160000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.660162860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.788378890000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.469212130000000, 0.284620080000000, 0.861224730000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.709477950000000, 0.215513370000000, 0.061248170000000 ] mass: 85.467800 - symbol: Rb # 3 coordinates: [ 0.151474300000000, 0.465745480000000, 0.459525950000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.063539310000000, 0.488902700000000, 0.776192390000000 ] mass: 85.467800 - symbol: Rb # 5 coordinates: [ 0.563539310000000, 0.011097300000000, 0.223807610000000 ] mass: 85.467800 - symbol: Rb # 6 coordinates: [ 0.848525700000000, 0.965745480000000, 0.040474050000000 ] mass: 85.467800 - symbol: Rb # 7 coordinates: [ 0.202071770000000, 0.124723000000000, 0.706085360000000 ] mass: 85.467800 - symbol: Rb # 8 coordinates: [ 0.290522050000000, 0.784486630000000, 0.938751830000000 ] mass: 85.467800 - symbol: Rb # 9 coordinates: [ 0.563539310000000, 0.488902700000000, 0.723807610000000 ] mass: 85.467800 - symbol: Rb # 10 coordinates: [ 0.530787870000000, 0.715379920000000, 0.138775270000000 ] mass: 85.467800 - symbol: Rb # 11 coordinates: [ 0.969212130000000, 0.215379920000000, 0.138775270000000 ] mass: 85.467800 - symbol: Rb # 12 coordinates: [ 0.469212130000000, 0.215379920000000, 0.361224730000000 ] mass: 85.467800 - symbol: Rb # 13 coordinates: [ 0.030787870000000, 0.715379920000000, 0.361224730000000 ] mass: 85.467800 - symbol: Rb # 14 coordinates: [ 0.790522050000000, 0.784486630000000, 0.561248170000000 ] mass: 85.467800 - symbol: Rb # 15 coordinates: [ 0.297928230000000, 0.624723000000000, 0.706085360000000 ] mass: 85.467800 - symbol: Rb # 16 coordinates: [ 0.530787870000000, 0.784620080000000, 0.638775270000000 ] mass: 85.467800 - symbol: Rb # 17 coordinates: [ 0.709477950000000, 0.284486630000000, 0.561248170000000 ] mass: 85.467800 - symbol: Rb # 18 coordinates: [ 0.651474300000000, 0.465745480000000, 0.040474050000000 ] mass: 85.467800 - symbol: Rb # 19 coordinates: [ 0.936460690000000, 0.988902700000000, 0.723807610000000 ] mass: 85.467800 - symbol: Rb # 20 coordinates: [ 0.651474300000000, 0.034254520000000, 0.540474050000000 ] mass: 85.467800 - symbol: Rb # 21 coordinates: [ 0.063539310000000, 0.011097300000000, 0.276192390000000 ] mass: 85.467800 - symbol: Rb # 22 coordinates: [ 0.797928230000000, 0.875277000000000, 0.293914640000000 ] mass: 85.467800 - symbol: Rb # 23 coordinates: [ 0.797928230000000, 0.624723000000000, 0.793914640000000 ] mass: 85.467800 - symbol: Rb # 24 coordinates: [ 0.297928230000000, 0.875277000000000, 0.206085360000000 ] mass: 85.467800 - symbol: Rb # 25 coordinates: [ 0.290522050000000, 0.715513370000000, 0.438751830000000 ] mass: 85.467800 - symbol: Rb # 26 coordinates: [ 0.969212130000000, 0.284620080000000, 0.638775270000000 ] mass: 85.467800 - symbol: Rb # 27 coordinates: [ 0.790522050000000, 0.715513370000000, 0.061248170000000 ] mass: 85.467800 - symbol: Rb # 28 coordinates: [ 0.151474300000000, 0.034254520000000, 0.959525950000000 ] mass: 85.467800 - symbol: Rb # 29 coordinates: [ 0.202071770000000, 0.375277000000000, 0.206085360000000 ] mass: 85.467800 - symbol: Rb # 30 coordinates: [ 0.209477950000000, 0.284486630000000, 0.938751830000000 ] mass: 85.467800 - symbol: Rb # 31 coordinates: [ 0.702071770000000, 0.124723000000000, 0.793914640000000 ] mass: 85.467800 - symbol: Rb # 32 coordinates: [ 0.436460690000000, 0.988902700000000, 0.776192390000000 ] mass: 85.467800 - symbol: Rb # 33 coordinates: [ 0.702071770000000, 0.375277000000000, 0.293914640000000 ] mass: 85.467800 - symbol: Rb # 34 coordinates: [ 0.436460690000000, 0.511097300000000, 0.276192390000000 ] mass: 85.467800 - symbol: Rb # 35 coordinates: [ 0.348525700000000, 0.965745480000000, 0.459525950000000 ] mass: 85.467800 - symbol: Rb # 36 coordinates: [ 0.209477950000000, 0.215513370000000, 0.438751830000000 ] mass: 85.467800 - symbol: Rb # 37 coordinates: [ 0.348525700000000, 0.534254520000000, 0.959525950000000 ] mass: 85.467800 - symbol: Rb # 38 coordinates: [ 0.936460690000000, 0.511097300000000, 0.223807610000000 ] mass: 85.467800 - symbol: Rb # 39 coordinates: [ 0.848525700000000, 0.534254520000000, 0.540474050000000 ] mass: 85.467800 - symbol: Rb # 40 coordinates: [ 0.030787870000000, 0.784620080000000, 0.861224730000000 ] mass: 85.467800 - symbol: Si # 41 coordinates: [ 0.917526410000000, 0.409203200000000, 0.986350840000000 ] mass: 28.085500 - symbol: Si # 42 coordinates: [ 0.443535150000000, 0.284215050000000, 0.115158690000000 ] mass: 28.085500 - symbol: Si # 43 coordinates: [ 0.556464850000000, 0.715784950000000, 0.884841310000000 ] mass: 28.085500 - symbol: Si # 44 coordinates: [ 0.056464850000000, 0.715784950000000, 0.615158690000000 ] mass: 28.085500 - symbol: Si # 45 coordinates: [ 0.582473590000000, 0.909203200000000, 0.986350840000000 ] mass: 28.085500 - symbol: Si # 46 coordinates: [ 0.719133970000000, 0.631004650000000, 0.315575440000000 ] mass: 28.085500 - symbol: Si # 47 coordinates: [ 0.443535150000000, 0.215784950000000, 0.615158690000000 ] mass: 28.085500 - symbol: Si # 48 coordinates: [ 0.280866030000000, 0.368995350000000, 0.684424560000000 ] mass: 28.085500 - symbol: Si # 49 coordinates: [ 0.082473590000000, 0.590796800000000, 0.013649160000000 ] mass: 28.085500 - symbol: Si # 50 coordinates: [ 0.219133970000000, 0.868995350000000, 0.684424560000000 ] mass: 28.085500 - symbol: Si # 51 coordinates: [ 0.917526410000000, 0.090796800000000, 0.486350840000000 ] mass: 28.085500 - symbol: Si # 52 coordinates: [ 0.056464850000000, 0.784215050000000, 0.115158690000000 ] mass: 28.085500 - symbol: Si # 53 coordinates: [ 0.417526410000000, 0.409203200000000, 0.513649160000000 ] mass: 28.085500 - symbol: Si # 54 coordinates: [ 0.219133970000000, 0.631004650000000, 0.184424560000000 ] mass: 28.085500 - symbol: Si # 55 coordinates: [ 0.943535150000000, 0.284215050000000, 0.384841310000000 ] mass: 28.085500 - symbol: Si # 56 coordinates: [ 0.280866030000000, 0.131004650000000, 0.184424560000000 ] mass: 28.085500 - symbol: Si # 57 coordinates: [ 0.417526410000000, 0.090796800000000, 0.013649160000000 ] mass: 28.085500 - symbol: Si # 58 coordinates: [ 0.082473590000000, 0.909203200000000, 0.513649160000000 ] mass: 28.085500 - symbol: Si # 59 coordinates: [ 0.780866030000000, 0.131004650000000, 0.315575440000000 ] mass: 28.085500 - symbol: Si # 60 coordinates: [ 0.582473590000000, 0.590796800000000, 0.486350840000000 ] mass: 28.085500 - symbol: Si # 61 coordinates: [ 0.719133970000000, 0.868995350000000, 0.815575440000000 ] mass: 28.085500 - symbol: Si # 62 coordinates: [ 0.780866030000000, 0.368995350000000, 0.815575440000000 ] mass: 28.085500 - symbol: Si # 63 coordinates: [ 0.943535150000000, 0.215784950000000, 0.884841310000000 ] mass: 28.085500 - symbol: Si # 64 coordinates: [ 0.556464850000000, 0.784215050000000, 0.384841310000000 ] mass: 28.085500 - symbol: O # 65 coordinates: [ 0.353537930000000, 0.385763970000000, 0.417586480000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.038396000000000, 0.170767260000000, 0.823741140000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.358149580000000, 0.230263350000000, 0.190770090000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.146462070000000, 0.885763970000000, 0.417586480000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.346613390000000, 0.444417350000000, 0.607466120000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.382905120000000, 0.142505200000000, 0.543841420000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.538396000000000, 0.170767260000000, 0.676258860000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.858149580000000, 0.269736650000000, 0.809229910000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.171319840000000, 0.159159990000000, 0.136225550000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.279830640000000, 0.078442900000000, 0.289036550000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.511123880000000, 0.685014970000000, 0.448436490000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.779830640000000, 0.421557100000000, 0.710963450000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.511123880000000, 0.814985030000000, 0.948436490000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.641850420000000, 0.730263350000000, 0.309229910000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.720169360000000, 0.921557100000000, 0.710963450000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.153386610000000, 0.555582650000000, 0.107466120000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.346613390000000, 0.055582650000000, 0.107466120000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.846613390000000, 0.444417350000000, 0.892533880000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.461604000000000, 0.829232740000000, 0.323741140000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.011123880000000, 0.814985030000000, 0.551563510000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.853537930000000, 0.114236030000000, 0.582413520000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.220169360000000, 0.578442900000000, 0.289036550000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.779830640000000, 0.078442900000000, 0.210963450000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.153386610000000, 0.944417350000000, 0.607466120000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.146462070000000, 0.614236030000000, 0.917586480000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.846613390000000, 0.055582650000000, 0.392533880000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.988876120000000, 0.185014970000000, 0.448436490000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.328680160000000, 0.659159990000000, 0.136225550000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.117094880000000, 0.642505200000000, 0.543841420000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.988876120000000, 0.314985030000000, 0.948436490000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.011123880000000, 0.685014970000000, 0.051563510000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.671319840000000, 0.340840010000000, 0.863774450000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.720169360000000, 0.578442900000000, 0.210963450000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.538396000000000, 0.329232740000000, 0.176258860000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.853537930000000, 0.385763970000000, 0.082413520000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.653386610000000, 0.555582650000000, 0.392533880000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.671319840000000, 0.159159990000000, 0.363774450000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.617094880000000, 0.857494800000000, 0.456158580000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.461604000000000, 0.670767260000000, 0.823741140000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.828680160000000, 0.840840010000000, 0.863774450000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.328680160000000, 0.840840010000000, 0.636225550000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.961604000000000, 0.829232740000000, 0.176258860000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.488876120000000, 0.185014970000000, 0.051563510000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.488876120000000, 0.314985030000000, 0.551563510000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.617094880000000, 0.642505200000000, 0.956158580000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 113 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 114 coordinates: [ 0.961604000000000, 0.670767260000000, 0.676258860000000 ] mass: 15.999400 - symbol: O # 115 coordinates: [ 0.653386610000000, 0.944417350000000, 0.892533880000000 ] mass: 15.999400 - symbol: O # 116 coordinates: [ 0.117094880000000, 0.857494800000000, 0.043841420000000 ] mass: 15.999400 - symbol: O # 117 coordinates: [ 0.353537930000000, 0.114236030000000, 0.917586480000000 ] mass: 15.999400 - symbol: O # 118 coordinates: [ 0.646462070000000, 0.614236030000000, 0.582413520000000 ] mass: 15.999400 - symbol: O # 119 coordinates: [ 0.382905120000000, 0.357494800000000, 0.043841420000000 ] mass: 15.999400 - symbol: O # 120 coordinates: [ 0.882905120000000, 0.357494800000000, 0.456158580000000 ] mass: 15.999400 - symbol: O # 121 coordinates: [ 0.828680160000000, 0.659159990000000, 0.363774450000000 ] mass: 15.999400 - symbol: O # 122 coordinates: [ 0.641850420000000, 0.769736650000000, 0.809229910000000 ] mass: 15.999400 - symbol: O # 123 coordinates: [ 0.220169360000000, 0.921557100000000, 0.789036550000000 ] mass: 15.999400 - symbol: O # 124 coordinates: [ 0.358149580000000, 0.269736650000000, 0.690770090000000 ] mass: 15.999400 - symbol: O # 125 coordinates: [ 0.646462070000000, 0.885763970000000, 0.082413520000000 ] mass: 15.999400 - symbol: O # 126 coordinates: [ 0.279830640000000, 0.421557100000000, 0.789036550000000 ] mass: 15.999400 - symbol: O # 127 coordinates: [ 0.141850420000000, 0.730263350000000, 0.190770090000000 ] mass: 15.999400 - symbol: O # 128 coordinates: [ 0.171319840000000, 0.340840010000000, 0.636225550000000 ] mass: 15.999400 - symbol: O # 129 coordinates: [ 0.858149580000000, 0.230263350000000, 0.309229910000000 ] mass: 15.999400 - symbol: O # 130 coordinates: [ 0.038396000000000, 0.329232740000000, 0.323741140000000 ] mass: 15.999400 - symbol: O # 131 coordinates: [ 0.141850420000000, 0.769736650000000, 0.690770090000000 ] mass: 15.999400 - symbol: O # 132 coordinates: [ 0.882905120000000, 0.142505200000000, 0.956158580000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.077487566933915, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.073205569380745, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.072524841968569 ] # c*unit_cell: lattice: - [ 12.905296160000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.660162860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.788378890000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.469212130000000, 0.284620080000000, 0.861224730000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.709477950000000, 0.215513370000000, 0.061248170000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.151474300000000, 0.465745480000000, 0.459525950000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.063539310000000, 0.488902700000000, 0.776192390000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.563539310000000, 0.011097300000000, 0.223807610000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.848525700000000, 0.965745480000000, 0.040474050000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.202071770000000, 0.124723000000000, 0.706085360000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.290522050000000, 0.784486630000000, 0.938751830000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 9 coordinates: [ 0.563539310000000, 0.488902700000000, 0.723807610000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 10 coordinates: [ 0.530787870000000, 0.715379920000000, 0.138775270000000 ] mass: 85.467800 reduced_to: 10 - symbol: Rb # 11 coordinates: [ 0.969212130000000, 0.215379920000000, 0.138775270000000 ] mass: 85.467800 reduced_to: 11 - symbol: Rb # 12 coordinates: [ 0.469212130000000, 0.215379920000000, 0.361224730000000 ] mass: 85.467800 reduced_to: 12 - symbol: Rb # 13 coordinates: [ 0.030787870000000, 0.715379920000000, 0.361224730000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.790522050000000, 0.784486630000000, 0.561248170000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 15 coordinates: [ 0.297928230000000, 0.624723000000000, 0.706085360000000 ] mass: 85.467800 reduced_to: 15 - symbol: Rb # 16 coordinates: [ 0.530787870000000, 0.784620080000000, 0.638775270000000 ] mass: 85.467800 reduced_to: 16 - symbol: Rb # 17 coordinates: [ 0.709477950000000, 0.284486630000000, 0.561248170000000 ] mass: 85.467800 reduced_to: 17 - symbol: Rb # 18 coordinates: [ 0.651474300000000, 0.465745480000000, 0.040474050000000 ] mass: 85.467800 reduced_to: 18 - symbol: Rb # 19 coordinates: [ 0.936460690000000, 0.988902700000000, 0.723807610000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.651474300000000, 0.034254520000000, 0.540474050000000 ] mass: 85.467800 reduced_to: 20 - symbol: Rb # 21 coordinates: [ 0.063539310000000, 0.011097300000000, 0.276192390000000 ] mass: 85.467800 reduced_to: 21 - symbol: Rb # 22 coordinates: [ 0.797928230000000, 0.875277000000000, 0.293914640000000 ] mass: 85.467800 reduced_to: 22 - symbol: Rb # 23 coordinates: [ 0.797928230000000, 0.624723000000000, 0.793914640000000 ] mass: 85.467800 reduced_to: 23 - symbol: Rb # 24 coordinates: [ 0.297928230000000, 0.875277000000000, 0.206085360000000 ] mass: 85.467800 reduced_to: 24 - symbol: Rb # 25 coordinates: [ 0.290522050000000, 0.715513370000000, 0.438751830000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 26 coordinates: [ 0.969212130000000, 0.284620080000000, 0.638775270000000 ] mass: 85.467800 reduced_to: 26 - symbol: Rb # 27 coordinates: [ 0.790522050000000, 0.715513370000000, 0.061248170000000 ] mass: 85.467800 reduced_to: 27 - symbol: Rb # 28 coordinates: [ 0.151474300000000, 0.034254520000000, 0.959525950000000 ] mass: 85.467800 reduced_to: 28 - symbol: Rb # 29 coordinates: [ 0.202071770000000, 0.375277000000000, 0.206085360000000 ] mass: 85.467800 reduced_to: 29 - symbol: Rb # 30 coordinates: [ 0.209477950000000, 0.284486630000000, 0.938751830000000 ] mass: 85.467800 reduced_to: 30 - symbol: Rb # 31 coordinates: [ 0.702071770000000, 0.124723000000000, 0.793914640000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 32 coordinates: [ 0.436460690000000, 0.988902700000000, 0.776192390000000 ] mass: 85.467800 reduced_to: 32 - symbol: Rb # 33 coordinates: [ 0.702071770000000, 0.375277000000000, 0.293914640000000 ] mass: 85.467800 reduced_to: 33 - symbol: Rb # 34 coordinates: [ 0.436460690000000, 0.511097300000000, 0.276192390000000 ] mass: 85.467800 reduced_to: 34 - symbol: Rb # 35 coordinates: [ 0.348525700000000, 0.965745480000000, 0.459525950000000 ] mass: 85.467800 reduced_to: 35 - symbol: Rb # 36 coordinates: [ 0.209477950000000, 0.215513370000000, 0.438751830000000 ] mass: 85.467800 reduced_to: 36 - symbol: Rb # 37 coordinates: [ 0.348525700000000, 0.534254520000000, 0.959525950000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 38 coordinates: [ 0.936460690000000, 0.511097300000000, 0.223807610000000 ] mass: 85.467800 reduced_to: 38 - symbol: Rb # 39 coordinates: [ 0.848525700000000, 0.534254520000000, 0.540474050000000 ] mass: 85.467800 reduced_to: 39 - symbol: Rb # 40 coordinates: [ 0.030787870000000, 0.784620080000000, 0.861224730000000 ] mass: 85.467800 reduced_to: 40 - symbol: Si # 41 coordinates: [ 0.917526410000000, 0.409203200000000, 0.986350840000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.443535150000000, 0.284215050000000, 0.115158690000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.556464850000000, 0.715784950000000, 0.884841310000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.056464850000000, 0.715784950000000, 0.615158690000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.582473590000000, 0.909203200000000, 0.986350840000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.719133970000000, 0.631004650000000, 0.315575440000000 ] mass: 28.085500 reduced_to: 46 - symbol: Si # 47 coordinates: [ 0.443535150000000, 0.215784950000000, 0.615158690000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.280866030000000, 0.368995350000000, 0.684424560000000 ] mass: 28.085500 reduced_to: 48 - symbol: Si # 49 coordinates: [ 0.082473590000000, 0.590796800000000, 0.013649160000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.219133970000000, 0.868995350000000, 0.684424560000000 ] mass: 28.085500 reduced_to: 50 - symbol: Si # 51 coordinates: [ 0.917526410000000, 0.090796800000000, 0.486350840000000 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 52 coordinates: [ 0.056464850000000, 0.784215050000000, 0.115158690000000 ] mass: 28.085500 reduced_to: 52 - symbol: Si # 53 coordinates: [ 0.417526410000000, 0.409203200000000, 0.513649160000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.219133970000000, 0.631004650000000, 0.184424560000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 55 coordinates: [ 0.943535150000000, 0.284215050000000, 0.384841310000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.280866030000000, 0.131004650000000, 0.184424560000000 ] mass: 28.085500 reduced_to: 56 - symbol: Si # 57 coordinates: [ 0.417526410000000, 0.090796800000000, 0.013649160000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.082473590000000, 0.909203200000000, 0.513649160000000 ] mass: 28.085500 reduced_to: 58 - symbol: Si # 59 coordinates: [ 0.780866030000000, 0.131004650000000, 0.315575440000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.582473590000000, 0.590796800000000, 0.486350840000000 ] mass: 28.085500 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.719133970000000, 0.868995350000000, 0.815575440000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.780866030000000, 0.368995350000000, 0.815575440000000 ] mass: 28.085500 reduced_to: 62 - symbol: Si # 63 coordinates: [ 0.943535150000000, 0.215784950000000, 0.884841310000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.556464850000000, 0.784215050000000, 0.384841310000000 ] mass: 28.085500 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.353537930000000, 0.385763970000000, 0.417586480000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.038396000000000, 0.170767260000000, 0.823741140000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.358149580000000, 0.230263350000000, 0.190770090000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.146462070000000, 0.885763970000000, 0.417586480000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.346613390000000, 0.444417350000000, 0.607466120000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.382905120000000, 0.142505200000000, 0.543841420000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.538396000000000, 0.170767260000000, 0.676258860000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.858149580000000, 0.269736650000000, 0.809229910000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.171319840000000, 0.159159990000000, 0.136225550000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.279830640000000, 0.078442900000000, 0.289036550000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.511123880000000, 0.685014970000000, 0.448436490000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.779830640000000, 0.421557100000000, 0.710963450000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.511123880000000, 0.814985030000000, 0.948436490000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.641850420000000, 0.730263350000000, 0.309229910000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.720169360000000, 0.921557100000000, 0.710963450000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.153386610000000, 0.555582650000000, 0.107466120000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.346613390000000, 0.055582650000000, 0.107466120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.846613390000000, 0.444417350000000, 0.892533880000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.461604000000000, 0.829232740000000, 0.323741140000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.011123880000000, 0.814985030000000, 0.551563510000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.853537930000000, 0.114236030000000, 0.582413520000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.220169360000000, 0.578442900000000, 0.289036550000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.779830640000000, 0.078442900000000, 0.210963450000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.153386610000000, 0.944417350000000, 0.607466120000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.146462070000000, 0.614236030000000, 0.917586480000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.846613390000000, 0.055582650000000, 0.392533880000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.988876120000000, 0.185014970000000, 0.448436490000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.328680160000000, 0.659159990000000, 0.136225550000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.117094880000000, 0.642505200000000, 0.543841420000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.988876120000000, 0.314985030000000, 0.948436490000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.011123880000000, 0.685014970000000, 0.051563510000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.671319840000000, 0.340840010000000, 0.863774450000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.720169360000000, 0.578442900000000, 0.210963450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.538396000000000, 0.329232740000000, 0.176258860000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.853537930000000, 0.385763970000000, 0.082413520000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.653386610000000, 0.555582650000000, 0.392533880000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.671319840000000, 0.159159990000000, 0.363774450000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.617094880000000, 0.857494800000000, 0.456158580000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.461604000000000, 0.670767260000000, 0.823741140000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.828680160000000, 0.840840010000000, 0.863774450000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.328680160000000, 0.840840010000000, 0.636225550000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.961604000000000, 0.829232740000000, 0.176258860000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.488876120000000, 0.185014970000000, 0.051563510000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.488876120000000, 0.314985030000000, 0.551563510000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.617094880000000, 0.642505200000000, 0.956158580000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.961604000000000, 0.670767260000000, 0.676258860000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.653386610000000, 0.944417350000000, 0.892533880000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.117094880000000, 0.857494800000000, 0.043841420000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.353537930000000, 0.114236030000000, 0.917586480000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.646462070000000, 0.614236030000000, 0.582413520000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.382905120000000, 0.357494800000000, 0.043841420000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.882905120000000, 0.357494800000000, 0.456158580000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.828680160000000, 0.659159990000000, 0.363774450000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.641850420000000, 0.769736650000000, 0.809229910000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.220169360000000, 0.921557100000000, 0.789036550000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.358149580000000, 0.269736650000000, 0.690770090000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.646462070000000, 0.885763970000000, 0.082413520000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.279830640000000, 0.421557100000000, 0.789036550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.141850420000000, 0.730263350000000, 0.190770090000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.171319840000000, 0.340840010000000, 0.636225550000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.858149580000000, 0.230263350000000, 0.309229910000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.038396000000000, 0.329232740000000, 0.323741140000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.141850420000000, 0.769736650000000, 0.690770090000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.882905120000000, 0.142505200000000, 0.956158580000000 ] mass: 15.999400 reduced_to: 132supercell: lattice: - [ 12.905296160000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.660162860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.788378890000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.469212130000000, 0.284620080000000, 0.861224730000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.709477950000000, 0.215513370000000, 0.061248170000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.151474300000000, 0.465745480000000, 0.459525950000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.063539310000000, 0.488902700000000, 0.776192390000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.563539310000000, 0.011097300000000, 0.223807610000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.848525700000000, 0.965745480000000, 0.040474050000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.202071770000000, 0.124723000000000, 0.706085360000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.290522050000000, 0.784486630000000, 0.938751830000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 9 coordinates: [ 0.563539310000000, 0.488902700000000, 0.723807610000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 10 coordinates: [ 0.530787870000000, 0.715379920000000, 0.138775270000000 ] mass: 85.467800 reduced_to: 10 - symbol: Rb # 11 coordinates: [ 0.969212130000000, 0.215379920000000, 0.138775270000000 ] mass: 85.467800 reduced_to: 11 - symbol: Rb # 12 coordinates: [ 0.469212130000000, 0.215379920000000, 0.361224730000000 ] mass: 85.467800 reduced_to: 12 - symbol: Rb # 13 coordinates: [ 0.030787870000000, 0.715379920000000, 0.361224730000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.790522050000000, 0.784486630000000, 0.561248170000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 15 coordinates: [ 0.297928230000000, 0.624723000000000, 0.706085360000000 ] mass: 85.467800 reduced_to: 15 - symbol: Rb # 16 coordinates: [ 0.530787870000000, 0.784620080000000, 0.638775270000000 ] mass: 85.467800 reduced_to: 16 - symbol: Rb # 17 coordinates: [ 0.709477950000000, 0.284486630000000, 0.561248170000000 ] mass: 85.467800 reduced_to: 17 - symbol: Rb # 18 coordinates: [ 0.651474300000000, 0.465745480000000, 0.040474050000000 ] mass: 85.467800 reduced_to: 18 - symbol: Rb # 19 coordinates: [ 0.936460690000000, 0.988902700000000, 0.723807610000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.651474300000000, 0.034254520000000, 0.540474050000000 ] mass: 85.467800 reduced_to: 20 - symbol: Rb # 21 coordinates: [ 0.063539310000000, 0.011097300000000, 0.276192390000000 ] mass: 85.467800 reduced_to: 21 - symbol: Rb # 22 coordinates: [ 0.797928230000000, 0.875277000000000, 0.293914640000000 ] mass: 85.467800 reduced_to: 22 - symbol: Rb # 23 coordinates: [ 0.797928230000000, 0.624723000000000, 0.793914640000000 ] mass: 85.467800 reduced_to: 23 - symbol: Rb # 24 coordinates: [ 0.297928230000000, 0.875277000000000, 0.206085360000000 ] mass: 85.467800 reduced_to: 24 - symbol: Rb # 25 coordinates: [ 0.290522050000000, 0.715513370000000, 0.438751830000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 26 coordinates: [ 0.969212130000000, 0.284620080000000, 0.638775270000000 ] mass: 85.467800 reduced_to: 26 - symbol: Rb # 27 coordinates: [ 0.790522050000000, 0.715513370000000, 0.061248170000000 ] mass: 85.467800 reduced_to: 27 - symbol: Rb # 28 coordinates: [ 0.151474300000000, 0.034254520000000, 0.959525950000000 ] mass: 85.467800 reduced_to: 28 - symbol: Rb # 29 coordinates: [ 0.202071770000000, 0.375277000000000, 0.206085360000000 ] mass: 85.467800 reduced_to: 29 - symbol: Rb # 30 coordinates: [ 0.209477950000000, 0.284486630000000, 0.938751830000000 ] mass: 85.467800 reduced_to: 30 - symbol: Rb # 31 coordinates: [ 0.702071770000000, 0.124723000000000, 0.793914640000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 32 coordinates: [ 0.436460690000000, 0.988902700000000, 0.776192390000000 ] mass: 85.467800 reduced_to: 32 - symbol: Rb # 33 coordinates: [ 0.702071770000000, 0.375277000000000, 0.293914640000000 ] mass: 85.467800 reduced_to: 33 - symbol: Rb # 34 coordinates: [ 0.436460690000000, 0.511097300000000, 0.276192390000000 ] mass: 85.467800 reduced_to: 34 - symbol: Rb # 35 coordinates: [ 0.348525700000000, 0.965745480000000, 0.459525950000000 ] mass: 85.467800 reduced_to: 35 - symbol: Rb # 36 coordinates: [ 0.209477950000000, 0.215513370000000, 0.438751830000000 ] mass: 85.467800 reduced_to: 36 - symbol: Rb # 37 coordinates: [ 0.348525700000000, 0.534254520000000, 0.959525950000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 38 coordinates: [ 0.936460690000000, 0.511097300000000, 0.223807610000000 ] mass: 85.467800 reduced_to: 38 - symbol: Rb # 39 coordinates: [ 0.848525700000000, 0.534254520000000, 0.540474050000000 ] mass: 85.467800 reduced_to: 39 - symbol: Rb # 40 coordinates: [ 0.030787870000000, 0.784620080000000, 0.861224730000000 ] mass: 85.467800 reduced_to: 40 - symbol: Si # 41 coordinates: [ 0.917526410000000, 0.409203200000000, 0.986350840000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.443535150000000, 0.284215050000000, 0.115158690000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.556464850000000, 0.715784950000000, 0.884841310000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.056464850000000, 0.715784950000000, 0.615158690000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.582473590000000, 0.909203200000000, 0.986350840000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.719133970000000, 0.631004650000000, 0.315575440000000 ] mass: 28.085500 reduced_to: 46 - symbol: Si # 47 coordinates: [ 0.443535150000000, 0.215784950000000, 0.615158690000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.280866030000000, 0.368995350000000, 0.684424560000000 ] mass: 28.085500 reduced_to: 48 - symbol: Si # 49 coordinates: [ 0.082473590000000, 0.590796800000000, 0.013649160000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.219133970000000, 0.868995350000000, 0.684424560000000 ] mass: 28.085500 reduced_to: 50 - symbol: Si # 51 coordinates: [ 0.917526410000000, 0.090796800000000, 0.486350840000000 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 52 coordinates: [ 0.056464850000000, 0.784215050000000, 0.115158690000000 ] mass: 28.085500 reduced_to: 52 - symbol: Si # 53 coordinates: [ 0.417526410000000, 0.409203200000000, 0.513649160000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.219133970000000, 0.631004650000000, 0.184424560000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 55 coordinates: [ 0.943535150000000, 0.284215050000000, 0.384841310000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.280866030000000, 0.131004650000000, 0.184424560000000 ] mass: 28.085500 reduced_to: 56 - symbol: Si # 57 coordinates: [ 0.417526410000000, 0.090796800000000, 0.013649160000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.082473590000000, 0.909203200000000, 0.513649160000000 ] mass: 28.085500 reduced_to: 58 - symbol: Si # 59 coordinates: [ 0.780866030000000, 0.131004650000000, 0.315575440000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.582473590000000, 0.590796800000000, 0.486350840000000 ] mass: 28.085500 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.719133970000000, 0.868995350000000, 0.815575440000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.780866030000000, 0.368995350000000, 0.815575440000000 ] mass: 28.085500 reduced_to: 62 - symbol: Si # 63 coordinates: [ 0.943535150000000, 0.215784950000000, 0.884841310000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.556464850000000, 0.784215050000000, 0.384841310000000 ] mass: 28.085500 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.353537930000000, 0.385763970000000, 0.417586480000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.038396000000000, 0.170767260000000, 0.823741140000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.358149580000000, 0.230263350000000, 0.190770090000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.146462070000000, 0.885763970000000, 0.417586480000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.346613390000000, 0.444417350000000, 0.607466120000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.382905120000000, 0.142505200000000, 0.543841420000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.538396000000000, 0.170767260000000, 0.676258860000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.858149580000000, 0.269736650000000, 0.809229910000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.171319840000000, 0.159159990000000, 0.136225550000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.279830640000000, 0.078442900000000, 0.289036550000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.511123880000000, 0.685014970000000, 0.448436490000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.779830640000000, 0.421557100000000, 0.710963450000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.511123880000000, 0.814985030000000, 0.948436490000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.641850420000000, 0.730263350000000, 0.309229910000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.720169360000000, 0.921557100000000, 0.710963450000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.153386610000000, 0.555582650000000, 0.107466120000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.346613390000000, 0.055582650000000, 0.107466120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.846613390000000, 0.444417350000000, 0.892533880000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.461604000000000, 0.829232740000000, 0.323741140000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.011123880000000, 0.814985030000000, 0.551563510000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.853537930000000, 0.114236030000000, 0.582413520000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.220169360000000, 0.578442900000000, 0.289036550000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.779830640000000, 0.078442900000000, 0.210963450000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.153386610000000, 0.944417350000000, 0.607466120000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.146462070000000, 0.614236030000000, 0.917586480000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.846613390000000, 0.055582650000000, 0.392533880000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.988876120000000, 0.185014970000000, 0.448436490000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.328680160000000, 0.659159990000000, 0.136225550000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.117094880000000, 0.642505200000000, 0.543841420000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.988876120000000, 0.314985030000000, 0.948436490000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.011123880000000, 0.685014970000000, 0.051563510000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.671319840000000, 0.340840010000000, 0.863774450000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.720169360000000, 0.578442900000000, 0.210963450000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.538396000000000, 0.329232740000000, 0.176258860000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.853537930000000, 0.385763970000000, 0.082413520000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.653386610000000, 0.555582650000000, 0.392533880000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.671319840000000, 0.159159990000000, 0.363774450000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.617094880000000, 0.857494800000000, 0.456158580000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.461604000000000, 0.670767260000000, 0.823741140000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.828680160000000, 0.840840010000000, 0.863774450000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.328680160000000, 0.840840010000000, 0.636225550000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.961604000000000, 0.829232740000000, 0.176258860000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.488876120000000, 0.185014970000000, 0.051563510000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.488876120000000, 0.314985030000000, 0.551563510000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.617094880000000, 0.642505200000000, 0.956158580000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.961604000000000, 0.670767260000000, 0.676258860000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.653386610000000, 0.944417350000000, 0.892533880000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.117094880000000, 0.857494800000000, 0.043841420000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.353537930000000, 0.114236030000000, 0.917586480000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.646462070000000, 0.614236030000000, 0.582413520000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.382905120000000, 0.357494800000000, 0.043841420000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.882905120000000, 0.357494800000000, 0.456158580000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.828680160000000, 0.659159990000000, 0.363774450000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.641850420000000, 0.769736650000000, 0.809229910000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.220169360000000, 0.921557100000000, 0.789036550000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.358149580000000, 0.269736650000000, 0.690770090000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.646462070000000, 0.885763970000000, 0.082413520000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.279830640000000, 0.421557100000000, 0.789036550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.141850420000000, 0.730263350000000, 0.190770090000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.171319840000000, 0.340840010000000, 0.636225550000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.858149580000000, 0.230263350000000, 0.309229910000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.038396000000000, 0.329232740000000, 0.323741140000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.141850420000000, 0.769736650000000, 0.690770090000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.882905120000000, 0.142505200000000, 0.956158580000000 ] mass: 15.999400 reduced_to: 132displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0384597900000000, -0.0088110900000000, -0.0030798200000000 ] - [ 0.0009744900000000, -0.0007745400000000, 0.0019898900000000 ] - [ 0.0001568400000000, 0.0000073400000000, 0.0001908100000000 ] - [ 0.0009146300000000, -0.0001857600000000, 0.0000115800000000 ] - [ -0.0003399700000000, -0.0001460500000000, 0.0000153400000000 ] - [ 0.0001951000000000, -0.0000754800000000, 0.0001042900000000 ] - [ 0.0008851700000000, 0.0008968300000000, 0.0005778000000000 ] - [ -0.0000033100000000, -0.0000172100000000, -0.0000952600000000 ] - [ -0.0010520300000000, 0.0026578600000000, -0.0019468800000000 ] - [ -0.0002294400000000, 0.0000249000000000, 0.0000016700000000 ] - [ 0.0005386900000000, -0.0000835700000000, -0.0000234500000000 ] - [ -0.0002392200000000, -0.0000146200000000, 0.0000421900000000 ] - [ 0.0001321400000000, -0.0000060100000000, 0.0000572800000000 ] - [ 0.0001614600000000, -0.0000223400000000, 0.0000174300000000 ] - [ -0.0000099800000000, -0.0006303500000000, -0.0000382200000000 ] - [ -0.0002682100000000, 0.0001193500000000, -0.0000833000000000 ] - [ 0.0000964400000000, -0.0001790800000000, -0.0007591500000000 ] - [ 0.0002364800000000, 0.0014615600000000, 0.0016519400000000 ] - [ 0.0005534300000000, 0.0000123800000000, -0.0000381800000000 ] - [ -0.0001185300000000, -0.0002662800000000, -0.0002765500000000 ] - [ 0.0000928300000000, -0.0000640900000000, -0.0000641500000000 ] - [ 0.0001847800000000, 0.0000618600000000, 0.0001494600000000 ] - [ 0.0004224700000000, 0.0004404100000000, 0.0000606100000000 ] - [ 0.0000933000000000, 0.0001958000000000, -0.0002294700000000 ] - [ 0.0000150400000000, 0.0000145900000000, -0.0000402600000000 ] - [ 0.0007962500000000, 0.0000277000000000, -0.0002192000000000 ] - [ 0.0002153100000000, 0.0001848800000000, 0.0001742000000000 ] - [ 0.0006165400000000, 0.0004310000000000, -0.0001855300000000 ] - [ 0.0000940200000000, -0.0000447400000000, -0.0004857000000000 ] - [ 0.0074461900000000, 0.0000441000000000, -0.0027778300000000 ] - [ 0.0020747200000000, -0.0032036500000000, -0.0009130700000000 ] - [ -0.0008267000000000, 0.0006692000000000, 0.0004047800000000 ] - [ -0.0001957000000000, 0.0000844100000000, 0.0002941100000000 ] - [ -0.0001219600000000, -0.0001766500000000, -0.0000741100000000 ] - [ -0.0000734900000000, 0.0001833900000000, 0.0000242900000000 ] - [ 0.0000456600000000, 0.0001096600000000, 0.0001047800000000 ] - [ -0.0003539600000000, -0.0017145000000000, -0.0006664200000000 ] - [ 0.0003159700000000, -0.0000588700000000, 0.0000915800000000 ] - [ 0.0002324800000000, 0.0000413600000000, -0.0002622800000000 ] - [ 0.0002594600000000, 0.0000191600000000, 0.0000780800000000 ] - [ 0.0022310300000000, -0.0000059700000000, 0.0011607100000000 ] - [ -0.0031527400000000, 0.0007386100000000, -0.0018672800000000 ] - [ -0.0007079000000000, 0.0006533300000000, -0.0000104000000000 ] - [ 0.0005488200000000, 0.0002861600000000, -0.0002322200000000 ] - [ -0.0009115700000000, 0.0005607100000000, 0.0009125700000000 ] - [ -0.0002223400000000, 0.0002196800000000, 0.0003253700000000 ] - [ -0.0055602900000000, 0.0026468800000000, 0.0019366400000000 ] - [ 0.0032416200000000, -0.0019035000000000, 0.0064949200000000 ] - [ 0.0009456600000000, 0.0000012000000000, -0.0005393100000000 ] - [ -0.0000811500000000, 0.0002143400000000, 0.0001864800000000 ] - [ 0.0004713300000000, -0.0003534700000000, 0.0000936700000000 ] - [ 0.0004148100000000, -0.0002156800000000, -0.0003313200000000 ] - [ -0.0014909500000000, 0.0001298400000000, 0.0006301300000000 ] - [ -0.0000311300000000, -0.0000993900000000, -0.0002789000000000 ] - [ 0.0004355900000000, -0.0002564000000000, 0.0000873800000000 ] - [ 0.0000908200000000, 0.0000191100000000, -0.0008242900000000 ] - [ -0.0042481600000000, 0.0017216900000000, -0.0045787800000000 ] - [ 0.0004735200000000, 0.0001882900000000, -0.0001249100000000 ] - [ 0.0002560400000000, 0.0001161900000000, 0.0004136500000000 ] - [ -0.0006018700000000, -0.0004099100000000, -0.0001267400000000 ] - [ -0.0000603800000000, -0.0003810200000000, 0.0003257100000000 ] - [ 0.0089917900000000, 0.0020629000000000, -0.0017709700000000 ] - [ 0.0028485500000000, -0.0004084100000000, 0.0008013800000000 ] - [ -0.0002256400000000, -0.0001362600000000, 0.0001097200000000 ] - [ 0.0003857200000000, -0.0001098600000000, -0.0004185800000000 ] - [ -0.0019551700000000, 0.0002615300000000, -0.0000298800000000 ] - [ 0.0004468800000000, -0.0001106900000000, 0.0006311800000000 ] - [ -0.0002239900000000, -0.0001045800000000, -0.0001744400000000 ] - [ 0.0010527700000000, 0.0007601400000000, -0.0017691300000000 ] - [ 0.0009959800000000, -0.0008491600000000, -0.0005057600000000 ] - [ 0.0032076400000000, 0.0001612600000000, 0.0010958600000000 ] - [ -0.0030608400000000, 0.0011152700000000, -0.0004898600000000 ] - [ -0.0004327500000000, -0.0002604300000000, 0.0005378100000000 ] - [ 0.0000729400000000, -0.0002554200000000, 0.0005700700000000 ] - [ 0.0001539300000000, -0.0001691100000000, 0.0001053300000000 ] - [ -0.0019154600000000, -0.0010183200000000, 0.0016613500000000 ] - [ 0.0003024800000000, -0.0001558900000000, -0.0001127700000000 ] - [ 0.0000891700000000, -0.0000946400000000, -0.0003661800000000 ] - [ -0.0000899800000000, 0.0006503800000000, -0.0001235200000000 ] - [ -0.0002823000000000, 0.0001426200000000, 0.0000984900000000 ] - [ 0.0003199200000000, -0.0000906000000000, 0.0011316000000000 ] - [ -0.0023323700000000, -0.0007938200000000, -0.0010758200000000 ] - [ 0.0003776700000000, -0.0002134600000000, -0.0000478800000000 ] - [ -0.0003189500000000, 0.0001043900000000, -0.0000081400000000 ] - [ -0.0002788300000000, 0.0002104100000000, 0.0004594600000000 ] - [ -0.0000803000000000, -0.0000360800000000, 0.0002890700000000 ] - [ -0.0000518200000000, 0.0001114200000000, -0.0005979100000000 ] - [ -0.0002341900000000, -0.0002082200000000, -0.0002219100000000 ] - [ -0.0005933900000000, 0.0002924600000000, 0.0000845800000000 ] - [ -0.0001381300000000, 0.0000587300000000, -0.0000892600000000 ] - [ -0.0002073100000000, -0.0001217700000000, 0.0000612500000000 ] - [ 0.0001972500000000, 0.0001348100000000, 0.0001184800000000 ] - [ -0.0001699000000000, -0.0001481900000000, -0.0001610500000000 ] - [ -0.0015957100000000, 0.0003450000000000, -0.0002248800000000 ] - [ -0.0003981500000000, -0.0001290800000000, 0.0000742100000000 ] - [ 0.0133773200000000, 0.0034270600000000, 0.0002712700000000 ] - [ -0.0001231500000000, -0.0003307100000000, -0.0005792600000000 ] - [ -0.0010277000000000, -0.0005411800000000, -0.0001209800000000 ] - [ 0.0013237200000000, -0.0001582700000000, 0.0001638400000000 ] - [ 0.0007198500000000, 0.0004260400000000, 0.0000398300000000 ] - [ -0.0007567200000000, -0.0001464600000000, -0.0002204000000000 ] - [ 0.0001327000000000, 0.0000323600000000, -0.0000184000000000 ] - [ -0.0000252500000000, -0.0000027200000000, 0.0001277400000000 ] - [ 0.0002128900000000, 0.0002981700000000, 0.0002154700000000 ] - [ 0.0008947700000000, 0.0000661700000000, -0.0001359200000000 ] - [ -0.0000826400000000, 0.0000654400000000, 0.0000073500000000 ] - [ 0.0002888900000000, -0.0000241400000000, -0.0002254600000000 ] - [ -0.0001188800000000, -0.0001082800000000, 0.0001534300000000 ] - [ 0.0028068800000000, -0.0000807500000000, 0.0009860100000000 ] - [ 0.0015120400000000, 0.0000251800000000, -0.0002984800000000 ] - [ 0.0004740500000000, -0.0009776400000000, 0.0001495900000000 ] - [ -0.0003550800000000, 0.0002208800000000, 0.0000025900000000 ] - [ 0.0017622800000000, -0.0009547400000000, 0.0002542700000000 ] - [ -0.0003000400000000, 0.0000650200000000, 0.0001851400000000 ] - [ 0.0003137800000000, 0.0004488600000000, -0.0004404000000000 ] - [ -0.0001371600000000, 0.0000640700000000, -0.0000022600000000 ] - [ 0.0033496700000000, 0.0009645700000000, 0.0001857500000000 ] - [ 0.0000051200000000, -0.0001994800000000, 0.0007077400000000 ] - [ 0.0028517900000000, -0.0000211000000000, -0.0007671800000000 ] - [ -0.0004093300000000, 0.0003187900000000, 0.0003252900000000 ] - [ 0.0000474900000000, -0.0001237300000000, 0.0000762300000000 ] - [ 0.0002010900000000, -0.0000097400000000, -0.0003277400000000 ] - [ -0.0001420900000000, -0.0003001700000000, 0.0000358500000000 ] - [ 0.0058661700000000, -0.0005101700000000, 0.0048219400000000 ] - [ 0.0001733700000000, -0.0001814200000000, 0.0000663200000000 ] - [ -0.0011233000000000, 0.0025910200000000, -0.0013949400000000 ] - [ -0.0002207600000000, 0.0001183300000000, 0.0003426800000000 ] - [ -0.0015490400000000, -0.0001623600000000, -0.0013951600000000 ] - [ -0.0001362100000000, -0.0000144100000000, -0.0004026100000000 ] - [ -0.0005504200000000, -0.0001739200000000, -0.0000292900000000 ] - [ -0.0003478700000000, -0.0001725000000000, 0.0001957500000000 ] - [ -0.0012640800000000, -0.0000189500000000, -0.0000338600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0379394300000000, 0.0086412400000000, 0.0033277600000000 ] - [ -0.0011217500000000, 0.0008598700000000, -0.0018083600000000 ] - [ -0.0001886600000000, 0.0002052900000000, -0.0001807100000000 ] - [ -0.0011050400000000, 0.0004043100000000, -0.0000402000000000 ] - [ 0.0001442700000000, -0.0000694700000000, 0.0000102200000000 ] - [ -0.0001618500000000, 0.0002865700000000, -0.0001133100000000 ] - [ -0.0011611300000000, -0.0010662100000000, -0.0008882400000000 ] - [ 0.0001520200000000, -0.0000749800000000, -0.0000675300000000 ] - [ 0.0008406000000000, -0.0024344500000000, 0.0019695700000000 ] - [ 0.0002145000000000, -0.0000727100000000, -0.0001175900000000 ] - [ -0.0005230600000000, 0.0000343100000000, -0.0000899300000000 ] - [ 0.0002512300000000, -0.0000336100000000, 0.0000726300000000 ] - [ -0.0001447600000000, -0.0000420600000000, 0.0000585900000000 ] - [ -0.0000135800000000, -0.0000709900000000, 0.0001450200000000 ] - [ 0.0002861900000000, 0.0004662900000000, -0.0002669300000000 ] - [ 0.0002530800000000, -0.0000698700000000, -0.0000328800000000 ] - [ -0.0002460800000000, 0.0000835200000000, 0.0009151800000000 ] - [ -0.0002742300000000, -0.0012395000000000, -0.0016500400000000 ] - [ -0.0003587300000000, 0.0002026300000000, 0.0000644900000000 ] - [ 0.0000830100000000, 0.0000531800000000, 0.0002651600000000 ] - [ -0.0002841600000000, -0.0001525500000000, 0.0000367200000000 ] - [ 0.0000914700000000, 0.0001020100000000, 0.0001554900000000 ] - [ -0.0001451000000000, -0.0006001400000000, 0.0002439000000000 ] - [ 0.0001836500000000, -0.0000302400000000, -0.0000764500000000 ] - [ 0.0001332100000000, 0.0000792400000000, -0.0001229900000000 ] - [ -0.0007795000000000, 0.0000205300000000, 0.0000997200000000 ] - [ -0.0000672600000000, -0.0000901500000000, -0.0000105300000000 ] - [ -0.0006450700000000, -0.0006463000000000, 0.0001971100000000 ] - [ -0.0003661300000000, 0.0002078200000000, 0.0001800100000000 ] - [ -0.0077098300000000, -0.0001399200000000, 0.0026700300000000 ] - [ -0.0023379400000000, 0.0030031100000000, 0.0012051800000000 ] - [ 0.0010202100000000, -0.0004398000000000, -0.0004259100000000 ] - [ -0.0000830700000000, 0.0000790400000000, 0.0000112900000000 ] - [ 0.0003139000000000, -0.0000420900000000, 0.0000450100000000 ] - [ 0.0001070300000000, 0.0000310900000000, -0.0000139200000000 ] - [ -0.0001912300000000, -0.0000160300000000, -0.0002677400000000 ] - [ 0.0003945000000000, 0.0014972400000000, 0.0006786500000000 ] - [ -0.0001221000000000, -0.0001572000000000, -0.0000631100000000 ] - [ -0.0001984800000000, -0.0002533400000000, 0.0002496900000000 ] - [ -0.0002712700000000, 0.0000293600000000, 0.0000383300000000 ] - [ -0.0023212000000000, 0.0004472500000000, -0.0005191800000000 ] - [ 0.0030508300000000, -0.0012229300000000, 0.0014111700000000 ] - [ 0.0008033900000000, -0.0001680000000000, 0.0004092600000000 ] - [ -0.0004465500000000, 0.0001968600000000, -0.0001664400000000 ] - [ 0.0009962700000000, -0.0001154200000000, -0.0002721800000000 ] - [ -0.0000880900000000, -0.0001555900000000, -0.0000452800000000 ] - [ 0.0054570200000000, -0.0021537700000000, -0.0022985500000000 ] - [ -0.0029355400000000, 0.0018477600000000, -0.0068169400000000 ] - [ -0.0008420600000000, -0.0004309100000000, -0.0000947800000000 ] - [ -0.0002250400000000, -0.0002769000000000, -0.0004641500000000 ] - [ -0.0005672700000000, -0.0000821100000000, 0.0005401900000000 ] - [ -0.0003104600000000, -0.0002651300000000, -0.0000683400000000 ] - [ 0.0013905200000000, 0.0002974000000000, -0.0012625700000000 ] - [ -0.0002749300000000, 0.0001627000000000, -0.0000001700000000 ] - [ -0.0005338100000000, -0.0002250000000000, 0.0003106800000000 ] - [ 0.0002339300000000, 0.0000450300000000, 0.0005403600000000 ] - [ 0.0041597600000000, -0.0021113200000000, 0.0039026200000000 ] - [ -0.0003736800000000, 0.0002452300000000, -0.0005108100000000 ] - [ 0.0000505400000000, -0.0000520300000000, -0.0001313400000000 ] - [ 0.0006954800000000, -0.0000257300000000, 0.0007603700000000 ] - [ -0.0002510500000000, 0.0003167300000000, -0.0000439800000000 ] - [ -0.0085837100000000, -0.0020903400000000, 0.0020364400000000 ] - [ -0.0029381000000000, 0.0008845600000000, -0.0003982600000000 ] - [ 0.0003239000000000, -0.0003436800000000, 0.0002887100000000 ] - [ -0.0001788300000000, -0.0000557800000000, 0.0001088800000000 ] - [ 0.0016562000000000, 0.0000187000000000, -0.0001863600000000 ] - [ -0.0003392000000000, 0.0001870400000000, 0.0000106900000000 ] - [ 0.0000158500000000, -0.0000633000000000, -0.0001353900000000 ] - [ -0.0010135100000000, -0.0007983100000000, 0.0018528600000000 ] - [ -0.0011536400000000, 0.0003123500000000, 0.0002365500000000 ] - [ -0.0034797000000000, 0.0001074300000000, -0.0008956200000000 ] - [ 0.0031593800000000, -0.0011933100000000, -0.0001447600000000 ] - [ 0.0001213500000000, 0.0002175500000000, -0.0007215700000000 ] - [ 0.0000317100000000, 0.0000345600000000, -0.0000815000000000 ] - [ -0.0003328200000000, -0.0000557700000000, -0.0001152600000000 ] - [ 0.0020086300000000, 0.0012250400000000, -0.0021312200000000 ] - [ -0.0004797900000000, 0.0003753100000000, 0.0001003900000000 ] - [ -0.0002032000000000, 0.0001753600000000, -0.0002671600000000 ] - [ -0.0000170300000000, -0.0004269900000000, -0.0003603200000000 ] - [ 0.0002388300000000, -0.0000994200000000, -0.0000181700000000 ] - [ -0.0002869700000000, 0.0001307100000000, -0.0010358100000000 ] - [ 0.0023697300000000, 0.0007497000000000, 0.0009891200000000 ] - [ -0.0000798500000000, -0.0000631200000000, -0.0001696600000000 ] - [ 0.0001384000000000, 0.0001198900000000, 0.0000197500000000 ] - [ 0.0004864400000000, -0.0000420100000000, -0.0001492600000000 ] - [ -0.0000293600000000, -0.0001837400000000, 0.0001989800000000 ] - [ 0.0001605400000000, -0.0003301600000000, 0.0001064000000000 ] - [ 0.0001923800000000, 0.0001671400000000, 0.0003042700000000 ] - [ 0.0003822700000000, -0.0001265500000000, -0.0003929400000000 ] - [ 0.0001785900000000, -0.0000153500000000, 0.0000070300000000 ] - [ 0.0003857000000000, -0.0001023500000000, -0.0000707800000000 ] - [ 0.0001059800000000, -0.0001793100000000, -0.0002989500000000 ] - [ 0.0003262700000000, -0.0003860600000000, -0.0001055500000000 ] - [ 0.0017760300000000, -0.0001227500000000, 0.0002110400000000 ] - [ 0.0002176400000000, -0.0000968800000000, -0.0000644500000000 ] - [ -0.0129228700000000, -0.0031324600000000, -0.0000907000000000 ] - [ 0.0000153000000000, 0.0001102100000000, 0.0000915600000000 ] - [ 0.0010229000000000, 0.0005351900000000, 0.0001194000000000 ] - [ -0.0016059700000000, -0.0001129700000000, 0.0000615700000000 ] - [ -0.0007162200000000, -0.0004222300000000, -0.0000390300000000 ] - [ 0.0009606300000000, -0.0000230000000000, 0.0005258500000000 ] - [ -0.0001717600000000, 0.0000129100000000, -0.0000636800000000 ] - [ -0.0002750100000000, -0.0000429500000000, 0.0000527600000000 ] - [ -0.0000548700000000, 0.0002336900000000, 0.0000501900000000 ] - [ -0.0005953300000000, 0.0002090800000000, -0.0000829500000000 ] - [ 0.0003865100000000, -0.0000197700000000, 0.0001731600000000 ] - [ 0.0000137700000000, 0.0000681300000000, 0.0000440300000000 ] - [ 0.0004118700000000, -0.0001662600000000, 0.0000656600000000 ] - [ -0.0026267100000000, -0.0001450100000000, -0.0009639600000000 ] - [ -0.0013269000000000, 0.0002040000000000, 0.0003053700000000 ] - [ -0.0003143500000000, 0.0004414400000000, 0.0001149500000000 ] - [ 0.0003528500000000, -0.0002193300000000, -0.0000017800000000 ] - [ -0.0017488400000000, 0.0009388800000000, -0.0002536600000000 ] - [ 0.0005962800000000, 0.0002103700000000, 0.0000321000000000 ] - [ -0.0003488600000000, -0.0004926100000000, 0.0003539300000000 ] - [ 0.0002913200000000, 0.0004659800000000, -0.0002620300000000 ] - [ -0.0032081400000000, -0.0009238100000000, -0.0004437100000000 ] - [ -0.0002121200000000, 0.0003651200000000, -0.0003977200000000 ] - [ -0.0030311800000000, 0.0005809500000000, 0.0005695600000000 ] - [ 0.0002521800000000, 0.0002130100000000, -0.0000587200000000 ] - [ 0.0002548500000000, 0.0000770900000000, 0.0001040300000000 ] - [ -0.0003143800000000, -0.0000722500000000, -0.0003055700000000 ] - [ 0.0000311600000000, 0.0005197100000000, 0.0004504400000000 ] - [ -0.0058230100000000, 0.0004334000000000, -0.0043795600000000 ] - [ -0.0003771500000000, 0.0000119700000000, 0.0002422600000000 ] - [ 0.0011738300000000, -0.0023515900000000, 0.0018551200000000 ] - [ 0.0001031800000000, -0.0000360900000000, 0.0002893500000000 ] - [ 0.0012370300000000, 0.0002072600000000, 0.0012154000000000 ] - [ 0.0002522200000000, 0.0000967600000000, -0.0002308500000000 ] - [ 0.0002509300000000, -0.0001017100000000, -0.0001881000000000 ] - [ 0.0002297000000000, 0.0000891200000000, 0.0004363900000000 ] - [ 0.0011006800000000, -0.0005115500000000, 0.0002974900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0086443800000000, -0.0233018700000000, 0.0048442900000000 ] - [ -0.0006353000000000, -0.0006038800000000, -0.0001096800000000 ] - [ -0.0000657100000000, 0.0000787700000000, -0.0000863300000000 ] - [ -0.0003249000000000, 0.0001773900000000, -0.0000640800000000 ] - [ -0.0002332600000000, -0.0000172000000000, -0.0002859800000000 ] - [ -0.0000868900000000, 0.0001924200000000, -0.0000891400000000 ] - [ 0.0007202500000000, -0.0001233000000000, 0.0003809000000000 ] - [ 0.0000633700000000, 0.0005718600000000, -0.0001352300000000 ] - [ 0.0019761000000000, 0.0035168500000000, -0.0035357600000000 ] - [ 0.0000421400000000, 0.0003073400000000, 0.0000512400000000 ] - [ 0.0000655300000000, -0.0001799200000000, -0.0000676400000000 ] - [ -0.0000027100000000, -0.0002109300000000, 0.0001132900000000 ] - [ 0.0000112200000000, 0.0000690000000000, 0.0000640700000000 ] - [ 0.0000848100000000, 0.0001625500000000, 0.0001121400000000 ] - [ -0.0001780600000000, 0.0005517700000000, -0.0004668000000000 ] - [ -0.0001009600000000, 0.0004918100000000, -0.0000603000000000 ] - [ -0.0002492300000000, -0.0004997100000000, 0.0000044800000000 ] - [ 0.0010549700000000, 0.0006506000000000, 0.0013311800000000 ] - [ 0.0000331700000000, 0.0001850700000000, 0.0000651100000000 ] - [ -0.0001895000000000, 0.0000759400000000, 0.0002983300000000 ] - [ -0.0000280800000000, -0.0000573700000000, -0.0000520500000000 ] - [ 0.0001096200000000, 0.0002146300000000, 0.0001263500000000 ] - [ 0.0003611400000000, 0.0003065600000000, 0.0001187200000000 ] - [ 0.0002057300000000, 0.0004108900000000, -0.0002446700000000 ] - [ 0.0000629000000000, 0.0002067900000000, -0.0000727800000000 ] - [ 0.0000102700000000, -0.0002073600000000, -0.0001232900000000 ] - [ 0.0001414400000000, 0.0003107200000000, 0.0001125000000000 ] - [ 0.0006114600000000, 0.0001758000000000, -0.0001732000000000 ] - [ -0.0002402100000000, -0.0001402900000000, -0.0000244100000000 ] - [ 0.0000899800000000, -0.0020677400000000, -0.0000550100000000 ] - [ -0.0025807100000000, 0.0002391500000000, 0.0005749500000000 ] - [ 0.0004373900000000, 0.0028674300000000, 0.0011055000000000 ] - [ -0.0001060600000000, -0.0000996100000000, 0.0002375100000000 ] - [ 0.0000778000000000, -0.0001104900000000, 0.0001235800000000 ] - [ 0.0000589500000000, 0.0002661700000000, 0.0001166000000000 ] - [ 0.0000242300000000, -0.0001383400000000, -0.0000814300000000 ] - [ -0.0014945100000000, 0.0022592800000000, 0.0012685800000000 ] - [ 0.0001294700000000, -0.0001162600000000, 0.0000847700000000 ] - [ 0.0001176700000000, -0.0000885500000000, -0.0001564900000000 ] - [ -0.0000017500000000, 0.0002599600000000, 0.0000430800000000 ] - [ 0.0004842500000000, -0.0002315800000000, 0.0006708400000000 ] - [ 0.0011331200000000, -0.0055187200000000, -0.0002114400000000 ] - [ 0.0003998000000000, 0.0022171500000000, 0.0004234500000000 ] - [ 0.0001850800000000, 0.0006962100000000, -0.0001899100000000 ] - [ -0.0010202400000000, 0.0026732200000000, 0.0002814900000000 ] - [ -0.0001505300000000, 0.0003488000000000, 0.0002110900000000 ] - [ 0.0016962500000000, -0.0022488900000000, 0.0033684400000000 ] - [ -0.0006920900000000, -0.0029592500000000, -0.0035665600000000 ] - [ -0.0003290900000000, 0.0000452800000000, 0.0000470100000000 ] - [ 0.0001674900000000, 0.0006179800000000, 0.0002974000000000 ] - [ -0.0001672600000000, -0.0003324500000000, 0.0004371200000000 ] - [ 0.0001172900000000, 0.0002926400000000, -0.0002815300000000 ] - [ 0.0002649500000000, -0.0007576900000000, -0.0010018000000000 ] - [ -0.0004416600000000, 0.0003004600000000, 0.0001940500000000 ] - [ -0.0000540800000000, -0.0005316500000000, 0.0001481400000000 ] - [ 0.0007523700000000, -0.0008954100000000, -0.0012017000000000 ] - [ 0.0010723500000000, 0.0059019800000000, -0.0089720100000000 ] - [ 0.0002555900000000, 0.0004884200000000, -0.0001767400000000 ] - [ 0.0000016000000000, -0.0001529400000000, 0.0000944300000000 ] - [ -0.0001942900000000, 0.0000191400000000, -0.0003472300000000 ] - [ -0.0004236700000000, 0.0011924200000000, 0.0003663300000000 ] - [ 0.0029721200000000, -0.0002589300000000, -0.0004222000000000 ] - [ 0.0002615600000000, -0.0007083400000000, 0.0004406400000000 ] - [ 0.0000047300000000, 0.0002636800000000, 0.0001617000000000 ] - [ 0.0000665100000000, 0.0002457400000000, 0.0000321900000000 ] - [ -0.0005188000000000, 0.0005732700000000, -0.0000911300000000 ] - [ -0.0000717800000000, 0.0011917600000000, 0.0003658400000000 ] - [ -0.0001686500000000, -0.0002315100000000, -0.0002018800000000 ] - [ -0.0000094500000000, 0.0006021800000000, 0.0009664700000000 ] - [ -0.0006326400000000, 0.0000103200000000, -0.0008030800000000 ] - [ 0.0001935600000000, 0.0016846600000000, -0.0012633600000000 ] - [ -0.0008752200000000, 0.0010585700000000, -0.0002998000000000 ] - [ -0.0005054400000000, 0.0003252100000000, 0.0001564500000000 ] - [ -0.0000814300000000, -0.0000258400000000, 0.0005738900000000 ] - [ 0.0000287300000000, -0.0004859700000000, 0.0001987000000000 ] - [ -0.0008518900000000, 0.0001941500000000, 0.0002724000000000 ] - [ -0.0000643600000000, -0.0013857200000000, -0.0003982600000000 ] - [ 0.0000413500000000, -0.0002410100000000, -0.0003702700000000 ] - [ 0.0001492600000000, -0.0004383100000000, -0.0003263700000000 ] - [ 0.0001100800000000, -0.0001114800000000, -0.0001970900000000 ] - [ -0.0006728500000000, -0.0002279000000000, 0.0020163800000000 ] - [ -0.0006584100000000, -0.0000649100000000, -0.0003204300000000 ] - [ 0.0002213100000000, -0.0004052300000000, -0.0000568700000000 ] - [ -0.0001710400000000, -0.0001716100000000, 0.0000526000000000 ] - [ 0.0002762400000000, 0.0002050400000000, 0.0000305500000000 ] - [ 0.0000139800000000, -0.0001380800000000, 0.0001183600000000 ] - [ 0.0001584100000000, -0.0000603900000000, -0.0001607100000000 ] - [ -0.0001681000000000, -0.0002163700000000, -0.0001719400000000 ] - [ 0.0003723500000000, -0.0002831600000000, -0.0002646700000000 ] - [ 0.0000695600000000, 0.0000514300000000, -0.0000684500000000 ] - [ 0.0001146800000000, 0.0000852100000000, -0.0000572100000000 ] - [ 0.0002982400000000, -0.0004103300000000, -0.0004963800000000 ] - [ 0.0001192800000000, -0.0004740200000000, -0.0001074200000000 ] - [ -0.0001236200000000, 0.0006183200000000, 0.0000222600000000 ] - [ -0.0000107000000000, -0.0004970200000000, -0.0001606600000000 ] - [ 0.0027025200000000, 0.0024720600000000, 0.0001755200000000 ] - [ -0.0001456800000000, -0.0003065200000000, -0.0004927300000000 ] - [ -0.0000238700000000, 0.0000225200000000, -0.0001362400000000 ] - [ -0.0002376400000000, 0.0010335200000000, -0.0001725300000000 ] - [ 0.0000706200000000, 0.0001515700000000, 0.0003478300000000 ] - [ -0.0001586800000000, 0.0002317300000000, -0.0000631400000000 ] - [ -0.0000675100000000, -0.0000180400000000, 0.0001516300000000 ] - [ -0.0000554500000000, 0.0001288500000000, 0.0000501500000000 ] - [ 0.0000612400000000, -0.0000504100000000, 0.0000635800000000 ] - [ -0.0000578700000000, -0.0011909900000000, -0.0002271700000000 ] - [ 0.0003452000000000, -0.0003962000000000, 0.0001174100000000 ] - [ 0.0000234700000000, -0.0005199400000000, -0.0003146800000000 ] - [ 0.0001574300000000, -0.0003403900000000, 0.0001174200000000 ] - [ 0.0003129800000000, 0.0039770700000000, 0.0003613300000000 ] - [ -0.0000517000000000, 0.0016140300000000, -0.0003786300000000 ] - [ -0.0000970400000000, -0.0014024900000000, 0.0000601900000000 ] - [ -0.0000088000000000, -0.0000434000000000, -0.0000486200000000 ] - [ 0.0012778700000000, -0.0022408600000000, 0.0009306700000000 ] - [ 0.0000285000000000, -0.0001242300000000, 0.0002068300000000 ] - [ 0.0005394900000000, -0.0009786200000000, -0.0002215900000000 ] - [ -0.0000278700000000, -0.0001584300000000, 0.0000041400000000 ] - [ 0.0014879600000000, 0.0052182900000000, -0.0012396000000000 ] - [ -0.0002642600000000, -0.0004666100000000, 0.0008711200000000 ] - [ -0.0005746300000000, 0.0032989200000000, 0.0004909300000000 ] - [ -0.0000733900000000, 0.0004547300000000, 0.0002063000000000 ] - [ 0.0000772600000000, -0.0001779200000000, 0.0000622300000000 ] - [ -0.0004439500000000, -0.0009998500000000, -0.0002001200000000 ] - [ -0.0004694600000000, -0.0005000100000000, -0.0000452100000000 ] - [ -0.0006234900000000, 0.0023586900000000, 0.0015485000000000 ] - [ 0.0002819800000000, -0.0007314300000000, 0.0004508600000000 ] - [ 0.0017467900000000, 0.0012111000000000, 0.0014160400000000 ] - [ 0.0000920400000000, -0.0002861000000000, 0.0003239300000000 ] - [ 0.0000939300000000, 0.0009033100000000, 0.0006166600000000 ] - [ 0.0001563100000000, 0.0002479100000000, -0.0002731000000000 ] - [ -0.0001255700000000, 0.0000314200000000, -0.0001265800000000 ] - [ -0.0002970100000000, -0.0005665000000000, 0.0002179200000000 ] - [ 0.0000760600000000, 0.0001187800000000, 0.0000946800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0088065100000000, 0.0236666100000000, -0.0049418300000000 ] - [ 0.0004838700000000, 0.0007025800000000, 0.0002670800000000 ] - [ 0.0000327000000000, 0.0001332300000000, 0.0000974500000000 ] - [ 0.0001321700000000, 0.0000376300000000, 0.0000359500000000 ] - [ 0.0000407700000000, -0.0001980300000000, 0.0003148800000000 ] - [ 0.0001210200000000, 0.0000223000000000, 0.0000791900000000 ] - [ -0.0010006200000000, -0.0000369200000000, -0.0006897200000000 ] - [ 0.0000822600000000, -0.0006649400000000, -0.0000270400000000 ] - [ -0.0021340100000000, -0.0032636100000000, 0.0035158300000000 ] - [ -0.0000554800000000, -0.0003559600000000, -0.0001656400000000 ] - [ -0.0000524600000000, 0.0001320000000000, -0.0000491000000000 ] - [ 0.0000162500000000, 0.0001629700000000, 0.0000039500000000 ] - [ -0.0000248400000000, -0.0001175400000000, 0.0000524000000000 ] - [ 0.0000636900000000, -0.0002562700000000, 0.0000505100000000 ] - [ 0.0004518000000000, -0.0007168600000000, 0.0001591200000000 ] - [ 0.0000882900000000, -0.0004441600000000, -0.0000583200000000 ] - [ 0.0000991300000000, 0.0004061500000000, 0.0001615200000000 ] - [ -0.0010819600000000, -0.0004421500000000, -0.0013382100000000 ] - [ 0.0001596700000000, 0.0000332200000000, -0.0000383300000000 ] - [ 0.0001563900000000, -0.0002871400000000, -0.0003090900000000 ] - [ -0.0001648700000000, -0.0001587900000000, 0.0000250600000000 ] - [ 0.0001671400000000, -0.0000500000000000, 0.0001793800000000 ] - [ -0.0000828200000000, -0.0004732000000000, 0.0001857700000000 ] - [ 0.0000702800000000, -0.0002464500000000, -0.0000597700000000 ] - [ 0.0000847700000000, -0.0001134900000000, -0.0000903700000000 ] - [ 0.0000029900000000, 0.0002563000000000, 0.0000077000000000 ] - [ 0.0000077800000000, -0.0002176900000000, 0.0000510800000000 ] - [ -0.0006478200000000, -0.0003893200000000, 0.0001849600000000 ] - [ -0.0000359300000000, 0.0003031800000000, -0.0002807400000000 ] - [ -0.0002207100000000, 0.0019771800000000, -0.0001144000000000 ] - [ 0.0023169300000000, -0.0003924400000000, -0.0002736100000000 ] - [ -0.0002487500000000, -0.0026771900000000, -0.0011461400000000 ] - [ -0.0001706600000000, 0.0002626700000000, 0.0000677600000000 ] - [ 0.0001150100000000, -0.0001078100000000, -0.0001499900000000 ] - [ -0.0000257300000000, -0.0000513900000000, -0.0001065600000000 ] - [ -0.0001715700000000, 0.0002326300000000, -0.0000807200000000 ] - [ 0.0015112700000000, -0.0024551900000000, -0.0012457600000000 ] - [ 0.0000634000000000, -0.0001014200000000, -0.0000576000000000 ] - [ -0.0000842100000000, -0.0001261600000000, 0.0001469100000000 ] - [ -0.0000119400000000, -0.0002119900000000, 0.0000730300000000 ] - [ -0.0005863600000000, 0.0006642800000000, -0.0000421600000000 ] - [ -0.0012314200000000, 0.0050395300000000, -0.0002127100000000 ] - [ -0.0002947000000000, -0.0017342500000000, -0.0000246100000000 ] - [ -0.0000877000000000, -0.0002162300000000, -0.0002097000000000 ] - [ 0.0011282200000000, -0.0022476700000000, 0.0003559900000000 ] - [ -0.0001572900000000, -0.0002871500000000, 0.0000695300000000 ] - [ -0.0017889100000000, 0.0027512000000000, -0.0037476900000000 ] - [ 0.0010043600000000, 0.0028801900000000, 0.0032975300000000 ] - [ 0.0004231500000000, -0.0004827200000000, -0.0006825500000000 ] - [ -0.0004805500000000, -0.0006818500000000, -0.0005806800000000 ] - [ 0.0000683000000000, -0.0000998600000000, 0.0001998800000000 ] - [ -0.0000164900000000, -0.0007745000000000, -0.0001184700000000 ] - [ -0.0003619100000000, 0.0011838100000000, 0.0003698900000000 ] - [ 0.0001299900000000, -0.0002387600000000, -0.0004715500000000 ] - [ -0.0000465000000000, 0.0000511500000000, 0.0002525000000000 ] - [ -0.0004430600000000, 0.0009628000000000, 0.0009255200000000 ] - [ -0.0012172100000000, -0.0063982500000000, 0.0084413600000000 ] - [ -0.0001598800000000, -0.0000534800000000, -0.0004595200000000 ] - [ 0.0003066600000000, 0.0002167200000000, 0.0001862800000000 ] - [ 0.0002910100000000, -0.0004565100000000, 0.0009823600000000 ] - [ 0.0001208300000000, -0.0012557700000000, -0.0000913700000000 ] - [ -0.0026893800000000, 0.0001843900000000, 0.0007126700000000 ] - [ -0.0003656800000000, 0.0011950000000000, -0.0000457600000000 ] - [ 0.0000957100000000, -0.0007448800000000, 0.0002383900000000 ] - [ 0.0001399900000000, -0.0004113800000000, -0.0003438800000000 ] - [ 0.0002253300000000, -0.0003005100000000, -0.0001272600000000 ] - [ 0.0001855600000000, -0.0011150600000000, 0.0002660300000000 ] - [ -0.0000373400000000, 0.0000633100000000, -0.0001088900000000 ] - [ 0.0000520900000000, -0.0006381100000000, -0.0008849100000000 ] - [ 0.0004718500000000, -0.0005473600000000, 0.0005337100000000 ] - [ -0.0004816200000000, -0.0014442500000000, 0.0014363700000000 ] - [ 0.0010020000000000, -0.0011443500000000, -0.0003329000000000 ] - [ 0.0002030300000000, -0.0003725300000000, -0.0003379000000000 ] - [ 0.0001895000000000, -0.0001957300000000, -0.0000887000000000 ] - [ -0.0002102800000000, 0.0002623400000000, -0.0002086200000000 ] - [ 0.0009638500000000, 0.0000316400000000, -0.0007636400000000 ] - [ -0.0001183200000000, 0.0016123600000000, 0.0003877500000000 ] - [ -0.0001580000000000, 0.0003218100000000, -0.0002620100000000 ] - [ -0.0002598200000000, 0.0006563000000000, -0.0001559500000000 ] - [ -0.0001485200000000, 0.0001545300000000, 0.0002787000000000 ] - [ 0.0007157300000000, 0.0002697400000000, -0.0019370500000000 ] - [ 0.0007076500000000, 0.0000285100000000, 0.0002420600000000 ] - [ 0.0000752300000000, 0.0001296500000000, -0.0001622900000000 ] - [ -0.0000088100000000, 0.0003966600000000, -0.0000418700000000 ] - [ -0.0000673100000000, -0.0000395800000000, 0.0002763800000000 ] - [ -0.0001216800000000, -0.0000815300000000, 0.0003681700000000 ] - [ -0.0000503600000000, -0.0001626500000000, -0.0003275000000000 ] - [ 0.0001297900000000, 0.0001748200000000, 0.0002566400000000 ] - [ -0.0005761100000000, 0.0004515400000000, -0.0000429000000000 ] - [ -0.0000291200000000, -0.0000095700000000, -0.0000139300000000 ] - [ 0.0000660500000000, -0.0003107000000000, 0.0000470200000000 ] - [ 0.0000072000000000, 0.0003642700000000, 0.0003117600000000 ] - [ 0.0000386300000000, -0.0000585700000000, -0.0001592100000000 ] - [ 0.0003058400000000, -0.0003940800000000, -0.0000306000000000 ] - [ -0.0001687900000000, 0.0002730500000000, 0.0001704100000000 ] - [ -0.0029623200000000, -0.0024361200000000, 0.0000058600000000 ] - [ 0.0000370000000000, 0.0000874200000000, 0.0000060600000000 ] - [ 0.0000274800000000, -0.0000189400000000, 0.0001374100000000 ] - [ -0.0000585000000000, -0.0013085300000000, 0.0003921700000000 ] - [ -0.0000682400000000, -0.0001474700000000, -0.0003477100000000 ] - [ 0.0003655000000000, -0.0003980500000000, 0.0003759500000000 ] - [ 0.0000272700000000, 0.0000633200000000, -0.0002337300000000 ] - [ -0.0002465800000000, -0.0001758200000000, 0.0001292700000000 ] - [ 0.0000950100000000, 0.0005816400000000, 0.0002017100000000 ] - [ 0.0003532900000000, 0.0014619500000000, 0.0000106300000000 ] - [ -0.0000451400000000, 0.0004426300000000, 0.0000639000000000 ] - [ 0.0002824300000000, 0.0005672400000000, 0.0001368500000000 ] - [ 0.0001372600000000, 0.0000656800000000, 0.0001010800000000 ] - [ -0.0001426000000000, -0.0042421800000000, -0.0003033200000000 ] - [ 0.0002330900000000, -0.0013857600000000, 0.0003827500000000 ] - [ 0.0002492500000000, 0.0008692100000000, 0.0002029800000000 ] - [ 0.0000096900000000, 0.0000419900000000, 0.0000490200000000 ] - [ -0.0012796100000000, 0.0022517900000000, -0.0009427100000000 ] - [ 0.0002707000000000, 0.0004023700000000, 0.0000092900000000 ] - [ -0.0005860100000000, 0.0009372200000000, 0.0001418000000000 ] - [ 0.0001844400000000, 0.0006889200000000, -0.0002690800000000 ] - [ -0.0014433400000000, -0.0053090900000000, 0.0010505700000000 ] - [ 0.0000552700000000, 0.0006341800000000, -0.0005614800000000 ] - [ 0.0004047700000000, -0.0027666300000000, -0.0007296100000000 ] - [ -0.0000823700000000, 0.0000768500000000, 0.0000574200000000 ] - [ 0.0002237700000000, 0.0001321400000000, 0.0001172800000000 ] - [ 0.0003241400000000, 0.0009190300000000, -0.0004289200000000 ] - [ 0.0003656700000000, 0.0007224700000000, 0.0005349600000000 ] - [ 0.0007615600000000, -0.0024294700000000, -0.0008693500000000 ] - [ -0.0004930600000000, 0.0005654300000000, -0.0001449500000000 ] - [ -0.0016732300000000, -0.0009538500000000, -0.0009464900000000 ] - [ -0.0002075700000000, 0.0003665600000000, 0.0003066800000000 ] - [ -0.0004012000000000, -0.0008580400000000, -0.0008007600000000 ] - [ -0.0000404000000000, -0.0001679700000000, -0.0003585500000000 ] - [ -0.0001707100000000, -0.0003063900000000, -0.0000921300000000 ] - [ 0.0001826100000000, 0.0004879200000000, 0.0004145900000000 ] - [ -0.0002333700000000, -0.0006559500000000, 0.0001737700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0029290400000000, 0.0050144400000000, -0.0410498700000000 ] - [ 0.0020021700000000, -0.0004454700000000, 0.0006236600000000 ] - [ 0.0001603800000000, -0.0000375100000000, 0.0004645300000000 ] - [ 0.0001776100000000, -0.0000796100000000, -0.0003813100000000 ] - [ 0.0000858400000000, -0.0004756000000000, 0.0005793300000000 ] - [ 0.0000870900000000, 0.0000041900000000, -0.0001121800000000 ] - [ 0.0008995400000000, 0.0007647000000000, -0.0005714800000000 ] - [ 0.0000283500000000, -0.0000283700000000, -0.0003381300000000 ] - [ -0.0017050800000000, -0.0033034900000000, 0.0007700800000000 ] - [ 0.0000530500000000, 0.0000844600000000, 0.0000722400000000 ] - [ -0.0000266300000000, -0.0000331800000000, 0.0000627200000000 ] - [ -0.0000084900000000, -0.0000795200000000, 0.0014557800000000 ] - [ -0.0000062100000000, -0.0000299100000000, 0.0002605000000000 ] - [ 0.0000090900000000, -0.0000240400000000, 0.0001354700000000 ] - [ 0.0002513700000000, -0.0006008300000000, -0.0003603600000000 ] - [ -0.0000317900000000, 0.0000248000000000, -0.0001024000000000 ] - [ -0.0011060300000000, -0.0001739900000000, 0.0008034600000000 ] - [ 0.0013347500000000, 0.0014563400000000, 0.0003429500000000 ] - [ 0.0000387700000000, 0.0001909200000000, -0.0001243800000000 ] - [ -0.0003860400000000, 0.0003750600000000, 0.0005034500000000 ] - [ -0.0001906300000000, -0.0001954100000000, 0.0002410500000000 ] - [ 0.0001299800000000, 0.0000447600000000, 0.0003330400000000 ] - [ 0.0000980500000000, -0.0001805600000000, -0.0000844900000000 ] - [ 0.0000990800000000, -0.0001176300000000, 0.0000724400000000 ] - [ 0.0000962700000000, 0.0000152600000000, 0.0001610100000000 ] - [ 0.0001654800000000, 0.0000898500000000, -0.0001073000000000 ] - [ 0.0001570000000000, 0.0001235000000000, 0.0000413200000000 ] - [ -0.0003343900000000, -0.0003604800000000, -0.0002993600000000 ] - [ -0.0007707700000000, 0.0003202600000000, 0.0005681300000000 ] - [ -0.0033225600000000, -0.0000025200000000, -0.0016067600000000 ] - [ -0.0016886000000000, 0.0007888200000000, -0.0011647800000000 ] - [ 0.0004722800000000, 0.0012586900000000, -0.0009794400000000 ] - [ 0.0002141200000000, 0.0001687000000000, 0.0008104500000000 ] - [ 0.0000112400000000, 0.0001894900000000, 0.0008061600000000 ] - [ 0.0001553100000000, 0.0004143400000000, 0.0004851800000000 ] - [ 0.0002315000000000, 0.0001601400000000, 0.0006455300000000 ] - [ -0.0008394700000000, 0.0016735900000000, -0.0009522000000000 ] - [ 0.0001183600000000, -0.0000446300000000, 0.0001872500000000 ] - [ -0.0000550900000000, -0.0001920700000000, 0.0001460700000000 ] - [ -0.0000267100000000, 0.0000089500000000, -0.0001534900000000 ] - [ 0.0000291200000000, 0.0004337000000000, -0.0004543100000000 ] - [ -0.0016393800000000, -0.0003113000000000, 0.0128538700000000 ] - [ -0.0001327500000000, 0.0002015500000000, -0.0007186600000000 ] - [ 0.0001540000000000, 0.0001411700000000, -0.0002088500000000 ] - [ 0.0012875100000000, -0.0011554100000000, -0.0005787800000000 ] - [ -0.0003008200000000, 0.0001239100000000, 0.0008889100000000 ] - [ 0.0017289000000000, 0.0033610700000000, 0.0117066700000000 ] - [ 0.0070439800000000, -0.0049968900000000, 0.0026873700000000 ] - [ -0.0001362100000000, 0.0000076200000000, -0.0007206100000000 ] - [ -0.0000024200000000, 0.0000149900000000, -0.0004326600000000 ] - [ -0.0001413900000000, -0.0000942900000000, 0.0009641400000000 ] - [ -0.0000869400000000, -0.0002345700000000, -0.0001598700000000 ] - [ 0.0004504400000000, -0.0016409100000000, 0.0026212300000000 ] - [ -0.0004244700000000, 0.0001880400000000, 0.0003065700000000 ] - [ -0.0000360900000000, -0.0001906600000000, 0.0009117300000000 ] - [ -0.0015573200000000, -0.0012539400000000, 0.0012860500000000 ] - [ -0.0039028100000000, -0.0100773300000000, 0.0012115300000000 ] - [ 0.0000999000000000, 0.0003362400000000, 0.0000562100000000 ] - [ 0.0001976600000000, 0.0000822600000000, 0.0010244000000000 ] - [ -0.0004746200000000, -0.0009355000000000, 0.0013106100000000 ] - [ 0.0000099800000000, 0.0001049000000000, -0.0006628800000000 ] - [ -0.0000709700000000, -0.0000557000000000, -0.0010991500000000 ] - [ -0.0002613500000000, 0.0002362100000000, -0.0006403200000000 ] - [ 0.0001206400000000, -0.0003249200000000, 0.0008513700000000 ] - [ -0.0002968600000000, 0.0001168800000000, -0.0017108100000000 ] - [ -0.0002235400000000, 0.0002185200000000, 0.0006038500000000 ] - [ 0.0017267700000000, 0.0014031100000000, -0.0020875800000000 ] - [ -0.0001412300000000, -0.0001001800000000, -0.0004626400000000 ] - [ -0.0004239600000000, 0.0014051100000000, -0.0013371300000000 ] - [ -0.0012844500000000, -0.0015735300000000, -0.0026851300000000 ] - [ 0.0016474000000000, -0.0023563300000000, -0.0013972000000000 ] - [ 0.0002498300000000, -0.0000582100000000, 0.0002106400000000 ] - [ 0.0006134200000000, 0.0002841800000000, -0.0003872800000000 ] - [ 0.0003176700000000, 0.0003420500000000, -0.0008972700000000 ] - [ -0.0001226100000000, 0.0002409900000000, -0.0004302200000000 ] - [ 0.0004265700000000, 0.0000146000000000, 0.0005179300000000 ] - [ -0.0001246100000000, 0.0006052300000000, 0.0004888400000000 ] - [ 0.0000527000000000, -0.0000557500000000, -0.0006729700000000 ] - [ 0.0000838800000000, -0.0002924500000000, 0.0001526500000000 ] - [ 0.0001958700000000, -0.0002626700000000, 0.0000637400000000 ] - [ 0.0013179900000000, 0.0011385900000000, -0.0007705000000000 ] - [ 0.0001577200000000, 0.0000427300000000, 0.0006229900000000 ] - [ 0.0000609700000000, -0.0000488800000000, -0.0005540900000000 ] - [ -0.0001186700000000, 0.0001317600000000, -0.0000995800000000 ] - [ 0.0004409500000000, -0.0000898400000000, -0.0001102900000000 ] - [ 0.0000633700000000, -0.0001742500000000, -0.0002123000000000 ] - [ -0.0001194700000000, -0.0000056300000000, -0.0008677000000000 ] - [ -0.0001270400000000, -0.0002377100000000, -0.0000609900000000 ] - [ 0.0001107000000000, 0.0000566400000000, 0.0003003000000000 ] - [ -0.0000973800000000, 0.0000681800000000, -0.0005699800000000 ] - [ 0.0000239300000000, -0.0000162600000000, -0.0003594500000000 ] - [ 0.0003288100000000, -0.0002520700000000, -0.0003346600000000 ] - [ -0.0000290600000000, -0.0001009800000000, -0.0002418100000000 ] - [ 0.0003783100000000, 0.0002111200000000, 0.0003974000000000 ] - [ -0.0000363700000000, -0.0001712800000000, 0.0000867700000000 ] - [ -0.0003025400000000, 0.0000101400000000, 0.0023345800000000 ] - [ -0.0001809100000000, -0.0004255700000000, -0.0007682300000000 ] - [ -0.0000020000000000, -0.0001069600000000, 0.0002291300000000 ] - [ -0.0014380000000000, -0.0007098400000000, -0.0028470800000000 ] - [ 0.0005614900000000, 0.0010382700000000, -0.0007633200000000 ] - [ -0.0003689200000000, -0.0002660100000000, 0.0003510900000000 ] - [ 0.0002970700000000, 0.0000680000000000, -0.0007505400000000 ] - [ -0.0000854200000000, -0.0000107400000000, -0.0006686600000000 ] - [ 0.0000157500000000, 0.0000523300000000, -0.0002535500000000 ] - [ 0.0001721900000000, 0.0003592000000000, 0.0006715400000000 ] - [ 0.0001647500000000, -0.0000007600000000, 0.0004095300000000 ] - [ 0.0000188300000000, -0.0000251600000000, -0.0000399700000000 ] - [ 0.0002037100000000, -0.0001286100000000, 0.0000058800000000 ] - [ 0.0008863600000000, 0.0005009300000000, 0.0021275600000000 ] - [ 0.0000054700000000, 0.0015852400000000, -0.0028111100000000 ] - [ 0.0000858000000000, -0.0006924100000000, 0.0006864000000000 ] - [ 0.0000307600000000, -0.0000776400000000, -0.0001916000000000 ] - [ -0.0009379400000000, 0.0023867600000000, 0.0005083300000000 ] - [ 0.0001120300000000, 0.0002151200000000, 0.0001718500000000 ] - [ -0.0004803000000000, 0.0000569700000000, 0.0007865800000000 ] - [ 0.0001815600000000, 0.0004033500000000, -0.0000892700000000 ] - [ 0.0006914700000000, -0.0001968700000000, 0.0035555400000000 ] - [ 0.0001470300000000, 0.0004846900000000, -0.0003618000000000 ] - [ 0.0003688500000000, -0.0000354600000000, 0.0028520600000000 ] - [ 0.0001134300000000, 0.0002603500000000, -0.0003871800000000 ] - [ 0.0001329000000000, -0.0000520200000000, -0.0002292400000000 ] - [ -0.0001903300000000, -0.0001462700000000, 0.0001146000000000 ] - [ -0.0001590600000000, 0.0000297900000000, 0.0007065000000000 ] - [ 0.0041739000000000, 0.0017188600000000, 0.0101310700000000 ] - [ -0.0004180400000000, 0.0002396400000000, 0.0002201700000000 ] - [ -0.0019670800000000, 0.0021251400000000, 0.0026678800000000 ] - [ 0.0001027800000000, -0.0000351400000000, 0.0002057500000000 ] - [ -0.0020892700000000, 0.0004779800000000, -0.0007188700000000 ] - [ -0.0000762500000000, -0.0000125900000000, -0.0007265200000000 ] - [ 0.0000267100000000, -0.0000946200000000, -0.0006655000000000 ] - [ -0.0001746800000000, -0.0000041600000000, 0.0004087000000000 ] - [ -0.0002774300000000, -0.0002023300000000, 0.0007437700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0034800900000000, -0.0047676900000000, 0.0412625300000000 ] - [ -0.0021383300000000, 0.0005383800000000, -0.0004661200000000 ] - [ -0.0001949600000000, 0.0002511500000000, -0.0004540000000000 ] - [ -0.0003717800000000, 0.0002961300000000, 0.0003546300000000 ] - [ -0.0002781300000000, 0.0002570900000000, -0.0005520400000000 ] - [ -0.0000537400000000, 0.0002091600000000, 0.0001007700000000 ] - [ -0.0011799800000000, -0.0009303600000000, 0.0002686800000000 ] - [ 0.0001196900000000, -0.0000652200000000, 0.0001747700000000 ] - [ 0.0015254400000000, 0.0035406400000000, -0.0007295700000000 ] - [ -0.0000661400000000, -0.0001325900000000, -0.0001894400000000 ] - [ 0.0000398600000000, -0.0000147000000000, -0.0001803100000000 ] - [ 0.0000219100000000, 0.0000297100000000, -0.0013396000000000 ] - [ -0.0000074400000000, -0.0000183500000000, -0.0001443300000000 ] - [ 0.0001391900000000, -0.0000699600000000, 0.0000284200000000 ] - [ 0.0000254100000000, 0.0004370200000000, 0.0000566000000000 ] - [ 0.0000186600000000, 0.0000229200000000, -0.0000126200000000 ] - [ 0.0009648100000000, 0.0000817100000000, -0.0006403600000000 ] - [ -0.0013618600000000, -0.0012395300000000, -0.0003636400000000 ] - [ 0.0001531800000000, 0.0000266400000000, 0.0001521300000000 ] - [ 0.0003547700000000, -0.0005901300000000, -0.0005137900000000 ] - [ -0.0000026900000000, -0.0000217500000000, -0.0002685000000000 ] - [ 0.0001470000000000, 0.0001187600000000, -0.0000283400000000 ] - [ 0.0001779000000000, 0.0000134800000000, 0.0003901700000000 ] - [ 0.0001770600000000, 0.0002807900000000, -0.0003779500000000 ] - [ 0.0000513300000000, 0.0000788400000000, -0.0003237500000000 ] - [ -0.0001535700000000, -0.0000411400000000, -0.0000063600000000 ] - [ -0.0000090200000000, -0.0000301900000000, 0.0001207300000000 ] - [ 0.0003012400000000, 0.0001477000000000, 0.0003085900000000 ] - [ 0.0004920100000000, -0.0001553900000000, -0.0008726100000000 ] - [ 0.0031761600000000, -0.0000911700000000, 0.0014269500000000 ] - [ 0.0014055000000000, -0.0009405200000000, 0.0014826500000000 ] - [ -0.0002788900000000, -0.0010384000000000, 0.0009589100000000 ] - [ -0.0004877700000000, -0.0000037100000000, -0.0005045200000000 ] - [ 0.0001806400000000, -0.0004040200000000, -0.0008333200000000 ] - [ -0.0001225700000000, -0.0002026300000000, -0.0004748300000000 ] - [ -0.0003813700000000, -0.0000664900000000, -0.0008081700000000 ] - [ 0.0008749300000000, -0.0018868400000000, 0.0009520300000000 ] - [ 0.0000744600000000, -0.0001721000000000, -0.0001608100000000 ] - [ 0.0000882200000000, -0.0000214700000000, -0.0001541200000000 ] - [ 0.0000130900000000, 0.0000390300000000, 0.0002695200000000 ] - [ -0.0001335100000000, 0.0000015300000000, 0.0010779800000000 ] - [ 0.0014935400000000, -0.0001678700000000, -0.0130592300000000 ] - [ 0.0002341400000000, 0.0002763200000000, 0.0011164900000000 ] - [ -0.0000562200000000, 0.0003396300000000, -0.0001869800000000 ] - [ -0.0011868600000000, 0.0015885100000000, 0.0012110400000000 ] - [ -0.0000064000000000, -0.0000598200000000, -0.0006104000000000 ] - [ -0.0018587700000000, -0.0029485500000000, -0.0122657500000000 ] - [ -0.0067993700000000, 0.0049609600000000, -0.0029815000000000 ] - [ 0.0002316500000000, -0.0004439100000000, 0.0000815900000000 ] - [ -0.0003069400000000, -0.0000796700000000, 0.0001546100000000 ] - [ 0.0000432700000000, -0.0003399800000000, -0.0003250000000000 ] - [ 0.0001880900000000, -0.0002473500000000, -0.0002410200000000 ] - [ -0.0005538900000000, 0.0020906800000000, -0.0032665100000000 ] - [ 0.0001143800000000, -0.0001238400000000, -0.0005871900000000 ] - [ -0.0000640500000000, -0.0002901300000000, -0.0005117000000000 ] - [ 0.0018601800000000, 0.0013110700000000, -0.0015646200000000 ] - [ 0.0037787300000000, 0.0095681100000000, -0.0018519500000000 ] - [ -0.0000034000000000, 0.0000971100000000, -0.0006906500000000 ] - [ 0.0001142500000000, -0.0000195800000000, -0.0007455200000000 ] - [ 0.0005780400000000, 0.0005058500000000, -0.0006703000000000 ] - [ -0.0003191200000000, -0.0001680700000000, 0.0009415400000000 ] - [ 0.0003335300000000, -0.0000187700000000, 0.0013971400000000 ] - [ 0.0001531900000000, 0.0002523500000000, 0.0010315900000000 ] - [ -0.0000195800000000, -0.0001561400000000, -0.0004526100000000 ] - [ 0.0005078100000000, -0.0002865700000000, 0.0014039700000000 ] - [ -0.0000689600000000, 0.0000553100000000, -0.0008220800000000 ] - [ -0.0016037100000000, -0.0013179800000000, 0.0027125100000000 ] - [ -0.0000648400000000, -0.0000671400000000, 0.0001519300000000 ] - [ 0.0004726900000000, -0.0014562800000000, 0.0014219900000000 ] - [ 0.0011312400000000, 0.0010451000000000, 0.0024256300000000 ] - [ -0.0019551000000000, 0.0026112100000000, 0.0015159200000000 ] - [ -0.0001164000000000, -0.0000320500000000, -0.0008448700000000 ] - [ -0.0009127700000000, -0.0003288100000000, 0.0002080600000000 ] - [ -0.0002076300000000, -0.0005590400000000, 0.0013822200000000 ] - [ -0.0000587300000000, -0.0004661700000000, 0.0004188000000000 ] - [ -0.0003098400000000, 0.0002092600000000, -0.0010174200000000 ] - [ -0.0000564700000000, -0.0003787900000000, -0.0004978100000000 ] - [ -0.0001688000000000, 0.0001382600000000, 0.0000400600000000 ] - [ -0.0001930000000000, 0.0005100100000000, -0.0006387700000000 ] - [ -0.0002349300000000, 0.0003062100000000, 0.0000201400000000 ] - [ -0.0012748700000000, -0.0010903300000000, 0.0008548400000000 ] - [ -0.0001015600000000, -0.0000793300000000, -0.0006980100000000 ] - [ 0.0002357500000000, -0.0002265100000000, 0.0003361000000000 ] - [ -0.0000609300000000, 0.0000934600000000, 0.0001096000000000 ] - [ -0.0002326400000000, 0.0002567100000000, 0.0004145200000000 ] - [ -0.0001710400000000, -0.0000468900000000, 0.0007007100000000 ] - [ 0.0002264800000000, -0.0002140200000000, 0.0003804800000000 ] - [ 0.0000870200000000, 0.0001962600000000, 0.0001429500000000 ] - [ -0.0003182500000000, 0.0001111600000000, -0.0006070200000000 ] - [ 0.0001367600000000, -0.0000238000000000, 0.0004868000000000 ] - [ 0.0001565000000000, -0.0002078200000000, 0.0003477800000000 ] - [ -0.0000242200000000, 0.0002064300000000, 0.0001547800000000 ] - [ 0.0001878600000000, -0.0004335800000000, -0.0000262900000000 ] - [ -0.0001950700000000, 0.0000117900000000, -0.0004051900000000 ] - [ -0.0001427200000000, -0.0000520000000000, -0.0000752600000000 ] - [ -0.0000101200000000, 0.0000338900000000, -0.0021611400000000 ] - [ 0.0000717800000000, 0.0002057100000000, 0.0002835700000000 ] - [ 0.0000056800000000, 0.0001095500000000, -0.0002266300000000 ] - [ 0.0011381500000000, 0.0004297600000000, 0.0030446700000000 ] - [ -0.0005655800000000, -0.0010450200000000, 0.0007636100000000 ] - [ 0.0005757000000000, 0.0000976400000000, -0.0000362500000000 ] - [ -0.0003391500000000, -0.0000242800000000, 0.0006681700000000 ] - [ -0.0002201500000000, -0.0000335000000000, 0.0008491400000000 ] - [ 0.0001407800000000, 0.0004805800000000, 0.0005181400000000 ] - [ 0.0001237300000000, -0.0000806100000000, -0.0008893000000000 ] - [ 0.0001387400000000, 0.0000467200000000, -0.0002282200000000 ] - [ 0.0002848100000000, 0.0000709400000000, -0.0001417200000000 ] - [ 0.0000911600000000, -0.0001459600000000, 0.0002137700000000 ] - [ -0.0007053300000000, -0.0008214200000000, -0.0018949000000000 ] - [ 0.0001789100000000, -0.0013659300000000, 0.0028414300000000 ] - [ 0.0000702400000000, 0.0001632600000000, -0.0004195800000000 ] - [ -0.0000309900000000, 0.0000780700000000, 0.0001910800000000 ] - [ 0.0009378800000000, -0.0023802600000000, -0.0005022500000000 ] - [ 0.0001882300000000, 0.0000629700000000, 0.0000426900000000 ] - [ 0.0004385300000000, -0.0001039200000000, -0.0008662100000000 ] - [ -0.0000252400000000, 0.0001276400000000, -0.0001741800000000 ] - [ -0.0004845800000000, 0.0003578100000000, -0.0038527100000000 ] - [ -0.0003568700000000, -0.0003170700000000, 0.0006642700000000 ] - [ -0.0006118600000000, 0.0006323800000000, -0.0028595000000000 ] - [ -0.0002706600000000, 0.0002703200000000, 0.0006504800000000 ] - [ 0.0001685800000000, 0.0000062500000000, 0.0004089200000000 ] - [ 0.0000741900000000, 0.0000647400000000, -0.0007475400000000 ] - [ 0.0000510800000000, 0.0001907900000000, -0.0002193200000000 ] - [ -0.0043558500000000, -0.0018536700000000, -0.0099678600000000 ] - [ 0.0002094400000000, -0.0004060800000000, 0.0000896400000000 ] - [ 0.0020704300000000, -0.0019132400000000, -0.0022067500000000 ] - [ -0.0002176800000000, 0.0001172800000000, 0.0004277800000000 ] - [ 0.0017903500000000, -0.0004340700000000, 0.0005372300000000 ] - [ 0.0001905900000000, 0.0000949900000000, 0.0000933300000000 ] - [ -0.0003230500000000, -0.0001813000000000, 0.0004479500000000 ] - [ 0.0000591800000000, -0.0000777400000000, 0.0002236400000000 ] - [ 0.0001201500000000, -0.0003344900000000, -0.0004725800000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010535200000000, -0.0005330000000000, 0.0021195000000000 ] - [ -0.0320076700000000, 0.0030016500000000, 0.0015889800000000 ] - [ 0.0001998300000000, 0.0001373500000000, 0.0000117500000000 ] - [ 0.0001894300000000, 0.0002761700000000, -0.0002274700000000 ] - [ -0.0002337700000000, 0.0014476600000000, -0.0012805800000000 ] - [ -0.0001288600000000, -0.0027852700000000, 0.0000290000000000 ] - [ 0.0003348000000000, -0.0001022000000000, -0.0002183700000000 ] - [ 0.0003574500000000, 0.0000282600000000, -0.0000512000000000 ] - [ -0.0002739600000000, 0.0000061600000000, 0.0001538800000000 ] - [ -0.0000837300000000, -0.0000336900000000, -0.0001039100000000 ] - [ 0.0076446200000000, -0.0001786700000000, 0.0032206900000000 ] - [ 0.0001793100000000, 0.0001495800000000, -0.0009743900000000 ] - [ 0.0000802700000000, -0.0000135500000000, 0.0001232400000000 ] - [ -0.0000440300000000, -0.0000738800000000, 0.0000525200000000 ] - [ 0.0002696100000000, -0.0001203100000000, -0.0001177100000000 ] - [ -0.0000655400000000, 0.0000350400000000, -0.0000358400000000 ] - [ -0.0004037800000000, -0.0000441500000000, 0.0000247200000000 ] - [ -0.0017810100000000, -0.0021603500000000, 0.0003879500000000 ] - [ 0.0000896000000000, -0.0001984300000000, -0.0003545400000000 ] - [ -0.0002253000000000, -0.0001083100000000, -0.0000475600000000 ] - [ 0.0003453900000000, -0.0003581200000000, 0.0002582500000000 ] - [ -0.0001239100000000, -0.0001574700000000, 0.0002873700000000 ] - [ -0.0000550300000000, 0.0000646300000000, 0.0001045300000000 ] - [ 0.0004202300000000, 0.0003069500000000, -0.0002188900000000 ] - [ 0.0002168400000000, 0.0000309400000000, -0.0001396900000000 ] - [ 0.0001245300000000, 0.0001218700000000, -0.0003649900000000 ] - [ -0.0002940600000000, -0.0000120700000000, 0.0000878700000000 ] - [ 0.0009148800000000, -0.0002675900000000, 0.0000048600000000 ] - [ 0.0008088900000000, 0.0000621000000000, -0.0002857400000000 ] - [ 0.0012433700000000, -0.0000446500000000, 0.0001147200000000 ] - [ -0.0016869900000000, -0.0001236200000000, 0.0000091600000000 ] - [ 0.0001537100000000, 0.0003670500000000, 0.0004112100000000 ] - [ -0.0018616900000000, -0.0000872200000000, -0.0003766800000000 ] - [ 0.0003681400000000, -0.0006077700000000, -0.0003592700000000 ] - [ 0.0001256000000000, 0.0001977800000000, -0.0001073800000000 ] - [ 0.0003364000000000, 0.0000206600000000, -0.0001399500000000 ] - [ 0.0003388400000000, -0.0005351600000000, 0.0002225000000000 ] - [ 0.0001755200000000, 0.0004525900000000, 0.0005075600000000 ] - [ -0.0000734600000000, -0.0000084000000000, -0.0000431200000000 ] - [ 0.0001342000000000, -0.0000427800000000, -0.0000248900000000 ] - [ 0.0024137300000000, 0.0048451200000000, -0.0022775100000000 ] - [ 0.0100086100000000, -0.0040344000000000, -0.0030139500000000 ] - [ -0.0002315700000000, 0.0004011100000000, 0.0006186700000000 ] - [ 0.0002475200000000, 0.0002418100000000, -0.0002259400000000 ] - [ -0.0019228400000000, 0.0026156700000000, 0.0010229500000000 ] - [ -0.0006148400000000, -0.0000763800000000, 0.0001208900000000 ] - [ -0.0000548600000000, 0.0002968500000000, -0.0000753100000000 ] - [ 0.0008296300000000, -0.0001222200000000, 0.0000925500000000 ] - [ 0.0013139700000000, 0.0007603500000000, -0.0000514000000000 ] - [ 0.0001914600000000, -0.0000479100000000, -0.0000786200000000 ] - [ 0.0000319200000000, -0.0005383100000000, 0.0005721500000000 ] - [ 0.0005932900000000, -0.0003576500000000, -0.0000975600000000 ] - [ -0.0000785200000000, 0.0000179400000000, -0.0006457000000000 ] - [ 0.0005777600000000, 0.0000444500000000, 0.0000022600000000 ] - [ 0.0004176200000000, 0.0002935200000000, 0.0014028800000000 ] - [ 0.0034483100000000, 0.0007006200000000, -0.0006695100000000 ] - [ 0.0055023200000000, 0.0048388800000000, 0.0015092900000000 ] - [ 0.0003651400000000, 0.0000309800000000, -0.0003062300000000 ] - [ -0.0018466100000000, -0.0004859400000000, 0.0028383900000000 ] - [ -0.0002177200000000, -0.0003417700000000, 0.0001701400000000 ] - [ -0.0012102100000000, 0.0000970900000000, 0.0003536600000000 ] - [ -0.0032608600000000, 0.0011295200000000, -0.0010465400000000 ] - [ 0.0042881000000000, 0.0017117600000000, -0.0054133600000000 ] - [ -0.0003122600000000, -0.0001495800000000, 0.0000351000000000 ] - [ -0.0001379900000000, 0.0000350500000000, 0.0002006200000000 ] - [ -0.0019468000000000, 0.0002498800000000, 0.0013139700000000 ] - [ -0.0028868900000000, -0.0009885500000000, 0.0017121200000000 ] - [ -0.0003387500000000, -0.0000241000000000, -0.0001690000000000 ] - [ -0.0001433600000000, 0.0000445800000000, 0.0001477600000000 ] - [ -0.0002439000000000, -0.0003593500000000, -0.0000015500000000 ] - [ 0.0001607600000000, 0.0000242700000000, -0.0001318900000000 ] - [ 0.0012345600000000, -0.0016263500000000, 0.0016503300000000 ] - [ -0.0027817600000000, 0.0003233500000000, -0.0003771100000000 ] - [ -0.0007908100000000, -0.0004000200000000, 0.0006258100000000 ] - [ 0.0000030800000000, -0.0001071900000000, 0.0000879800000000 ] - [ 0.0008804000000000, -0.0001166700000000, -0.0000148600000000 ] - [ 0.0000899500000000, -0.0005470800000000, -0.0003231800000000 ] - [ 0.0002169000000000, -0.0000208900000000, -0.0003126100000000 ] - [ 0.0002950000000000, 0.0001637600000000, -0.0002794600000000 ] - [ -0.0006332700000000, -0.0000898700000000, -0.0002980200000000 ] - [ -0.0021330200000000, -0.0008529400000000, 0.0010276600000000 ] - [ 0.0010519100000000, -0.0007184800000000, 0.0014695100000000 ] - [ 0.0001854100000000, -0.0003556900000000, 0.0001232800000000 ] - [ -0.0001638700000000, 0.0001715600000000, 0.0000136600000000 ] - [ 0.0002834900000000, 0.0001499400000000, 0.0001934000000000 ] - [ -0.0004325300000000, -0.0000436300000000, 0.0002136300000000 ] - [ 0.0029185800000000, -0.0005399100000000, -0.0001398700000000 ] - [ -0.0002315600000000, 0.0000427900000000, -0.0000328500000000 ] - [ -0.0006715300000000, -0.0001278200000000, -0.0000492500000000 ] - [ 0.0001443900000000, 0.0002333300000000, -0.0004879900000000 ] - [ -0.0001522800000000, 0.0001081600000000, -0.0003434500000000 ] - [ -0.0002755400000000, 0.0000514800000000, -0.0000483700000000 ] - [ -0.0000555300000000, -0.0002642500000000, -0.0001086300000000 ] - [ -0.0013309900000000, -0.0012351000000000, 0.0010804000000000 ] - [ -0.0002892200000000, -0.0003726700000000, -0.0000845600000000 ] - [ 0.0026548900000000, 0.0004002700000000, -0.0007562300000000 ] - [ 0.0004877200000000, -0.0000360600000000, -0.0002279400000000 ] - [ -0.0013934300000000, -0.0016571300000000, 0.0001823200000000 ] - [ -0.0007774000000000, 0.0022473000000000, 0.0023815800000000 ] - [ 0.0001428200000000, 0.0001462300000000, 0.0001074500000000 ] - [ 0.0020847500000000, -0.0009580300000000, 0.0001048800000000 ] - [ 0.0001972700000000, 0.0001460300000000, -0.0000260700000000 ] - [ 0.0014820500000000, -0.0005060000000000, 0.0000234900000000 ] - [ 0.0002848900000000, 0.0002770700000000, 0.0002307400000000 ] - [ 0.0001590800000000, 0.0001473000000000, -0.0002706900000000 ] - [ 0.0006913300000000, 0.0002461600000000, 0.0003756300000000 ] - [ -0.0000533600000000, -0.0000038300000000, -0.0000808600000000 ] - [ -0.0001281300000000, 0.0001546600000000, -0.0000498000000000 ] - [ 0.0046231500000000, 0.0000345600000000, -0.0000595100000000 ] - [ 0.0001656900000000, 0.0001772000000000, 0.0001056300000000 ] - [ 0.0002863300000000, -0.0000846700000000, -0.0000605400000000 ] - [ -0.0002361300000000, 0.0002553100000000, -0.0000311800000000 ] - [ 0.0001532300000000, -0.0028687000000000, -0.0006791100000000 ] - [ 0.0000913300000000, 0.0000881300000000, 0.0001989000000000 ] - [ 0.0010261600000000, -0.0003533400000000, -0.0006984600000000 ] - [ -0.0003230800000000, 0.0003364900000000, -0.0001564000000000 ] - [ -0.0017518100000000, -0.0006807600000000, -0.0015461000000000 ] - [ 0.0000924600000000, 0.0001082400000000, 0.0002241900000000 ] - [ -0.0024745300000000, 0.0018551500000000, -0.0009155000000000 ] - [ 0.0001712100000000, -0.0000895800000000, -0.0001687500000000 ] - [ 0.0004544800000000, -0.0000098900000000, 0.0001038100000000 ] - [ 0.0003668900000000, 0.0000436800000000, -0.0005446100000000 ] - [ -0.0003708800000000, 0.0000934900000000, 0.0001952000000000 ] - [ -0.0003122900000000, 0.0000376400000000, -0.0000206100000000 ] - [ 0.0009750800000000, -0.0006653100000000, 0.0001955800000000 ] - [ -0.0004289500000000, 0.0002178700000000, 0.0000353100000000 ] - [ -0.0005043500000000, 0.0001924600000000, 0.0001603800000000 ] - [ -0.0006692900000000, -0.0000589500000000, -0.0001257500000000 ] - [ 0.0002417900000000, -0.0000444000000000, -0.0021125000000000 ] - [ -0.0007097200000000, -0.0004771300000000, -0.0007684000000000 ] - [ -0.0002508600000000, -0.0001040200000000, 0.0003022500000000 ] - [ 0.0044855200000000, -0.0013963200000000, -0.0013712200000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010427200000000, 0.0005864100000000, -0.0020208600000000 ] - [ 0.0320137000000000, -0.0028330600000000, -0.0013128800000000 ] - [ -0.0002336800000000, 0.0000761500000000, -0.0000009800000000 ] - [ -0.0003832900000000, -0.0000582300000000, 0.0001998200000000 ] - [ 0.0000541500000000, -0.0016677000000000, 0.0013114700000000 ] - [ 0.0001494800000000, 0.0029947400000000, -0.0000371900000000 ] - [ -0.0006125100000000, -0.0000621300000000, -0.0000879700000000 ] - [ -0.0002099300000000, -0.0001226600000000, -0.0001120900000000 ] - [ 0.0000831800000000, 0.0002105000000000, -0.0001264600000000 ] - [ 0.0000717500000000, -0.0000148700000000, -0.0000125200000000 ] - [ -0.0075112900000000, 0.0001319800000000, -0.0032788800000000 ] - [ -0.0001632300000000, -0.0001988100000000, 0.0010962800000000 ] - [ -0.0000948600000000, -0.0000347900000000, -0.0000069900000000 ] - [ 0.0001919500000000, -0.0000195100000000, 0.0001102800000000 ] - [ 0.0000070100000000, -0.0000432600000000, -0.0001878800000000 ] - [ 0.0000527400000000, 0.0000132000000000, -0.0000806800000000 ] - [ 0.0002564200000000, -0.0000499100000000, 0.0001378600000000 ] - [ 0.0017665600000000, 0.0023540800000000, -0.0003966000000000 ] - [ 0.0001023300000000, 0.0004160200000000, 0.0003815100000000 ] - [ 0.0001934200000000, -0.0001042100000000, 0.0000364600000000 ] - [ -0.0005411100000000, 0.0001390500000000, -0.0002832700000000 ] - [ 0.0004004000000000, 0.0003251800000000, 0.0000173000000000 ] - [ 0.0003315100000000, -0.0002294100000000, 0.0002008600000000 ] - [ -0.0001437800000000, -0.0001449800000000, -0.0000854200000000 ] - [ -0.0000689300000000, 0.0000629600000000, -0.0000230300000000 ] - [ -0.0001122000000000, -0.0000737600000000, 0.0002480100000000 ] - [ 0.0004416600000000, 0.0001053000000000, 0.0000753900000000 ] - [ -0.0009500000000000, 0.0000521800000000, 0.0000036500000000 ] - [ -0.0010870200000000, 0.0001048400000000, -0.0000173500000000 ] - [ -0.0013934200000000, -0.0000484000000000, -0.0002801900000000 ] - [ 0.0014132900000000, -0.0000353100000000, 0.0003101000000000 ] - [ 0.0000401100000000, -0.0001517700000000, -0.0004410100000000 ] - [ 0.0015903400000000, 0.0002386500000000, 0.0006686000000000 ] - [ -0.0001748800000000, 0.0003930900000000, 0.0003337600000000 ] - [ -0.0000919800000000, 0.0000148800000000, 0.0001185400000000 ] - [ -0.0004851300000000, 0.0000730700000000, -0.0000216600000000 ] - [ -0.0003058000000000, 0.0003251800000000, -0.0002134100000000 ] - [ 0.0000152800000000, -0.0006691700000000, -0.0004813800000000 ] - [ 0.0001063700000000, -0.0002052200000000, 0.0000328400000000 ] - [ -0.0001484000000000, 0.0000910000000000, 0.0001410800000000 ] - [ -0.0025196200000000, -0.0043696600000000, 0.0029292500000000 ] - [ -0.0102366300000000, 0.0036108500000000, 0.0026675500000000 ] - [ 0.0003355400000000, 0.0000781600000000, -0.0002194500000000 ] - [ -0.0001502400000000, 0.0002397000000000, -0.0001725400000000 ] - [ 0.0020431500000000, -0.0021922800000000, -0.0003889000000000 ] - [ 0.0003075300000000, 0.0001377600000000, 0.0001572500000000 ] - [ -0.0000421500000000, 0.0001829300000000, -0.0003256300000000 ] - [ -0.0005223600000000, 0.0000600000000000, -0.0003753900000000 ] - [ -0.0012198900000000, -0.0011963500000000, -0.0005863600000000 ] - [ -0.0005013000000000, -0.0000156200000000, -0.0002028800000000 ] - [ -0.0001362200000000, 0.0001026500000000, 0.0000604900000000 ] - [ -0.0004951600000000, -0.0001243200000000, -0.0003017400000000 ] - [ -0.0000170300000000, 0.0004175200000000, 0.0000111200000000 ] - [ -0.0008880400000000, 0.0000194700000000, -0.0002821500000000 ] - [ -0.0005271100000000, -0.0007791000000000, -0.0010022300000000 ] - [ -0.0031447800000000, -0.0006443500000000, 0.0003976100000000 ] - [ -0.0056519800000000, -0.0053032900000000, -0.0021549600000000 ] - [ -0.0002704100000000, 0.0004045000000000, -0.0003288400000000 ] - [ 0.0021400000000000, 0.0005390500000000, -0.0025948400000000 ] - [ 0.0003184800000000, -0.0000925400000000, 0.0004654000000000 ] - [ 0.0009009400000000, -0.0001572900000000, -0.0000742900000000 ] - [ 0.0035480800000000, -0.0011936000000000, 0.0013351000000000 ] - [ -0.0043625400000000, -0.0012541000000000, 0.0057697500000000 ] - [ 0.0004152500000000, -0.0003315200000000, 0.0003648500000000 ] - [ 0.0003449700000000, -0.0002027800000000, -0.0005117400000000 ] - [ 0.0016579300000000, 0.0000318000000000, -0.0015341300000000 ] - [ 0.0030141500000000, 0.0010696200000000, -0.0010897200000000 ] - [ 0.0001330900000000, -0.0001432200000000, -0.0001420300000000 ] - [ 0.0001828500000000, -0.0000872400000000, -0.0000646000000000 ] - [ 0.0000867800000000, -0.0001718400000000, -0.0002638500000000 ] - [ -0.0004612500000000, 0.0002518200000000, 0.0003507700000000 ] - [ -0.0011096200000000, 0.0015399200000000, -0.0022719700000000 ] - [ 0.0024753900000000, -0.0003660000000000, 0.0001949800000000 ] - [ 0.0008999800000000, 0.0001835700000000, -0.0001458300000000 ] - [ -0.0001863600000000, -0.0001173400000000, -0.0000978800000000 ] - [ -0.0007682900000000, 0.0003368200000000, -0.0004720100000000 ] - [ -0.0002751500000000, 0.0007758300000000, 0.0003144000000000 ] - [ -0.0003348700000000, 0.0001019700000000, -0.0003187400000000 ] - [ -0.0004035000000000, 0.0000541100000000, -0.0002052000000000 ] - [ 0.0005949200000000, 0.0001314200000000, 0.0003809400000000 ] - [ 0.0021805500000000, 0.0008993200000000, -0.0009487400000000 ] - [ -0.0010053200000000, 0.0006732200000000, -0.0015513400000000 ] - [ 0.0001094600000000, 0.0000807900000000, -0.0003421600000000 ] - [ -0.0000160300000000, 0.0000529000000000, -0.0000033100000000 ] - [ -0.0000734700000000, 0.0000174900000000, 0.0001149200000000 ] - [ 0.0003252800000000, -0.0001786500000000, 0.0002739500000000 ] - [ -0.0028012200000000, 0.0002877300000000, -0.0003061800000000 ] - [ 0.0001928100000000, -0.0000838100000000, 0.0001164200000000 ] - [ 0.0004653400000000, 0.0002952100000000, -0.0002584800000000 ] - [ -0.0000974700000000, -0.0001907100000000, 0.0004172200000000 ] - [ 0.0003368600000000, -0.0003309000000000, 0.0003339100000000 ] - [ 0.0005796600000000, -0.0000977800000000, -0.0001330500000000 ] - [ 0.0002139600000000, -0.0002701500000000, -0.0001585900000000 ] - [ 0.0015069400000000, 0.0014477500000000, -0.0010842000000000 ] - [ 0.0001101700000000, 0.0001485200000000, 0.0000943000000000 ] - [ -0.0029660400000000, -0.0003452400000000, 0.0009215600000000 ] - [ -0.0005965200000000, -0.0001817700000000, -0.0002564400000000 ] - [ 0.0014032000000000, 0.0016605600000000, -0.0001876800000000 ] - [ 0.0004090200000000, -0.0025195300000000, -0.0021599700000000 ] - [ -0.0001446700000000, -0.0001472200000000, -0.0001075100000000 ] - [ -0.0017833700000000, 0.0008903300000000, 0.0002008000000000 ] - [ -0.0002391900000000, -0.0001006500000000, -0.0000543700000000 ] - [ -0.0017919800000000, 0.0004617400000000, 0.0001676600000000 ] - [ -0.0001297200000000, 0.0002543200000000, 0.0000344200000000 ] - [ 0.0001357700000000, 0.0001282800000000, 0.0000528400000000 ] - [ -0.0003876600000000, -0.0002006400000000, -0.0001946000000000 ] - [ 0.0003568500000000, 0.0000500500000000, -0.0000993500000000 ] - [ 0.0004253000000000, -0.0004295900000000, 0.0002681400000000 ] - [ -0.0048879600000000, -0.0003243200000000, 0.0000532100000000 ] - [ 0.0000142600000000, 0.0000471700000000, -0.0000956900000000 ] - [ -0.0001321100000000, -0.0004439500000000, 0.0003239700000000 ] - [ 0.0002389500000000, -0.0002570300000000, 0.0000319600000000 ] - [ -0.0001605900000000, 0.0028949800000000, 0.0006851900000000 ] - [ 0.0002087400000000, 0.0001887700000000, 0.0000169500000000 ] - [ -0.0010720800000000, 0.0003059100000000, 0.0006173400000000 ] - [ 0.0004808900000000, 0.0001960500000000, -0.0001086700000000 ] - [ 0.0019697500000000, 0.0008519500000000, 0.0012438800000000 ] - [ -0.0003019300000000, 0.0000584500000000, 0.0000829100000000 ] - [ 0.0023315100000000, -0.0013348900000000, 0.0006492200000000 ] - [ -0.0003243300000000, 0.0006214800000000, 0.0004336200000000 ] - [ -0.0001524300000000, -0.0000365400000000, 0.0000769100000000 ] - [ -0.0004846500000000, -0.0001248600000000, -0.0000866400000000 ] - [ 0.0002636700000000, 0.0001288100000000, 0.0002944100000000 ] - [ 0.0004287900000000, -0.0001175700000000, 0.0006551600000000 ] - [ -0.0011898500000000, 0.0004960600000000, 0.0001108700000000 ] - [ 0.0005382400000000, 0.0000018900000000, 0.0004551200000000 ] - [ 0.0003897600000000, -0.0001125600000000, 0.0004707800000000 ] - [ 0.0003676500000000, 0.0001049800000000, -0.0000543700000000 ] - [ -0.0001126300000000, 0.0001330900000000, 0.0014823800000000 ] - [ 0.0004171600000000, 0.0002010400000000, 0.0005450100000000 ] - [ 0.0001353400000000, 0.0000241700000000, 0.0003298200000000 ] - [ -0.0043866800000000, 0.0007570000000000, 0.0014497400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008082300000000, -0.0006322200000000, -0.0004307700000000 ] - [ 0.0027618000000000, -0.0191279600000000, 0.0000325800000000 ] - [ -0.0000084500000000, 0.0001205700000000, 0.0000315400000000 ] - [ 0.0000827300000000, 0.0001720400000000, -0.0001839300000000 ] - [ 0.0016056500000000, 0.0011185400000000, -0.0016108300000000 ] - [ -0.0021489300000000, 0.0034982800000000, 0.0005047800000000 ] - [ -0.0001552000000000, -0.0002214400000000, -0.0001175300000000 ] - [ 0.0001489500000000, 0.0001769100000000, -0.0000633200000000 ] - [ -0.0003065400000000, 0.0003725600000000, -0.0003000000000000 ] - [ 0.0000208000000000, 0.0005941900000000, -0.0000388400000000 ] - [ -0.0000961400000000, -0.0020471900000000, -0.0000177400000000 ] - [ 0.0001382200000000, -0.0004768600000000, 0.0001845700000000 ] - [ 0.0000180400000000, 0.0001852700000000, 0.0000354500000000 ] - [ 0.0000470500000000, 0.0001627800000000, 0.0001038100000000 ] - [ 0.0001213700000000, 0.0000624400000000, -0.0001930000000000 ] - [ 0.0000252800000000, 0.0001844500000000, -0.0000266400000000 ] - [ -0.0000769100000000, -0.0003712600000000, -0.0000753200000000 ] - [ -0.0020093000000000, 0.0077867400000000, -0.0008221700000000 ] - [ -0.0000528200000000, 0.0000989400000000, 0.0001926000000000 ] - [ 0.0000581600000000, -0.0001338700000000, -0.0001079500000000 ] - [ -0.0004128200000000, -0.0001342700000000, -0.0001576400000000 ] - [ 0.0000705700000000, 0.0008114900000000, -0.0002334400000000 ] - [ 0.0001684200000000, 0.0004986200000000, -0.0000140400000000 ] - [ 0.0002705600000000, 0.0002613900000000, -0.0001941000000000 ] - [ 0.0000898400000000, 0.0001740100000000, -0.0000759300000000 ] - [ 0.0000696000000000, -0.0001616700000000, -0.0001711100000000 ] - [ 0.0001337400000000, 0.0009772400000000, 0.0000387300000000 ] - [ -0.0001676500000000, -0.0001799300000000, 0.0000840600000000 ] - [ -0.0001737000000000, -0.0000421600000000, -0.0000472900000000 ] - [ -0.0000752700000000, -0.0003040600000000, -0.0000951700000000 ] - [ 0.0000551700000000, -0.0010102900000000, 0.0016148200000000 ] - [ 0.0002937800000000, 0.0001110100000000, 0.0002415200000000 ] - [ 0.0000101500000000, 0.0004518500000000, 0.0025443300000000 ] - [ -0.0001829200000000, 0.0001589500000000, 0.0002042700000000 ] - [ 0.0000747600000000, 0.0000903500000000, -0.0000730500000000 ] - [ -0.0000999400000000, -0.0000803600000000, -0.0001060700000000 ] - [ -0.0001929600000000, 0.0001359400000000, -0.0000934300000000 ] - [ 0.0005348400000000, 0.0003756800000000, 0.0005411200000000 ] - [ 0.0000794100000000, 0.0000018600000000, -0.0000464100000000 ] - [ -0.0001434000000000, 0.0002882900000000, 0.0001344400000000 ] - [ 0.0047525500000000, 0.0019423300000000, -0.0024951800000000 ] - [ -0.0031257800000000, -0.0035285600000000, -0.0009653700000000 ] - [ -0.0002683900000000, 0.0019758600000000, -0.0000685600000000 ] - [ 0.0001161200000000, 0.0005708600000000, -0.0002377400000000 ] - [ 0.0014859700000000, 0.0026925200000000, 0.0015500200000000 ] - [ -0.0003112900000000, 0.0010955100000000, 0.0008920900000000 ] - [ 0.0000444100000000, -0.0001789400000000, -0.0002813000000000 ] - [ 0.0001223200000000, -0.0002005600000000, -0.0002987300000000 ] - [ 0.0007095400000000, 0.0010880600000000, -0.0000770200000000 ] - [ -0.0001118800000000, 0.0001602700000000, -0.0000791800000000 ] - [ -0.0006454400000000, -0.0006464300000000, -0.0002428600000000 ] - [ -0.0003287900000000, 0.0007373200000000, 0.0000341400000000 ] - [ -0.0000748400000000, 0.0000676700000000, -0.0002648800000000 ] - [ -0.0001536600000000, 0.0005590800000000, -0.0000012300000000 ] - [ -0.0002985600000000, -0.0010825800000000, 0.0000412100000000 ] - [ 0.0001930400000000, -0.0008686200000000, -0.0003855700000000 ] - [ 0.0024067700000000, -0.0017223500000000, -0.0002757400000000 ] - [ -0.0000343500000000, 0.0004608000000000, -0.0004126000000000 ] - [ -0.0009896200000000, -0.0022608600000000, -0.0043885600000000 ] - [ -0.0002532600000000, 0.0002135400000000, 0.0004810600000000 ] - [ -0.0004762100000000, 0.0012362300000000, 0.0013503200000000 ] - [ 0.0022652800000000, -0.0002642800000000, -0.0029351800000000 ] - [ -0.0006099300000000, -0.0034583500000000, 0.0012363000000000 ] - [ -0.0001371000000000, 0.0004927700000000, 0.0001078600000000 ] - [ 0.0001639100000000, 0.0000338100000000, -0.0002489100000000 ] - [ 0.0001460100000000, 0.0008551900000000, -0.0004469800000000 ] - [ 0.0007514200000000, 0.0011852100000000, 0.0002965700000000 ] - [ -0.0000717300000000, -0.0002162900000000, -0.0000880100000000 ] - [ 0.0000532700000000, 0.0000078000000000, 0.0000662000000000 ] - [ -0.0000826600000000, -0.0000656600000000, -0.0000928300000000 ] - [ -0.0003306300000000, 0.0005483000000000, 0.0000816400000000 ] - [ -0.0010308200000000, 0.0017572400000000, -0.0003525900000000 ] - [ -0.0001180500000000, 0.0003333500000000, -0.0000565600000000 ] - [ 0.0000131600000000, 0.0001602500000000, 0.0002767700000000 ] - [ 0.0000225300000000, -0.0005819500000000, 0.0001017100000000 ] - [ -0.0004131400000000, -0.0001377000000000, 0.0008319000000000 ] - [ -0.0004376500000000, -0.0013231800000000, -0.0005757400000000 ] - [ 0.0002491300000000, -0.0007212500000000, -0.0004427600000000 ] - [ -0.0000068100000000, -0.0000693300000000, -0.0006783900000000 ] - [ -0.0002756000000000, -0.0003203400000000, -0.0001778300000000 ] - [ -0.0005174500000000, 0.0005112300000000, 0.0003675100000000 ] - [ -0.0007702300000000, -0.0003536600000000, 0.0013794000000000 ] - [ 0.0001052400000000, -0.0006126500000000, 0.0001356800000000 ] - [ -0.0000868300000000, -0.0001177800000000, 0.0000804600000000 ] - [ 0.0002001900000000, 0.0003472500000000, 0.0003560400000000 ] - [ -0.0000316000000000, -0.0002982200000000, 0.0002049500000000 ] - [ -0.0002947900000000, 0.0025215500000000, -0.0004281300000000 ] - [ 0.0000245900000000, -0.0000748700000000, 0.0000751500000000 ] - [ -0.0002849000000000, -0.0003497700000000, -0.0000529000000000 ] - [ 0.0006342800000000, 0.0001470700000000, 0.0012258800000000 ] - [ 0.0002832700000000, 0.0003542900000000, 0.0000079800000000 ] - [ 0.0001399400000000, -0.0003403500000000, -0.0001260000000000 ] - [ 0.0000702400000000, -0.0004221600000000, -0.0001328100000000 ] - [ -0.0007697300000000, 0.0021849200000000, 0.0010506300000000 ] - [ -0.0000727800000000, -0.0009113200000000, -0.0002524400000000 ] - [ -0.0001611800000000, 0.0005277100000000, 0.0025557200000000 ] - [ -0.0001485100000000, -0.0012068700000000, -0.0010532100000000 ] - [ -0.0014527400000000, -0.0013236800000000, 0.0002837000000000 ] - [ 0.0009941800000000, 0.0015842100000000, -0.0003425800000000 ] - [ 0.0000705900000000, -0.0000465900000000, -0.0000343600000000 ] - [ -0.0002587500000000, 0.0021371900000000, 0.0001735800000000 ] - [ 0.0001298300000000, -0.0003904700000000, -0.0003730500000000 ] - [ -0.0006763400000000, 0.0012340200000000, 0.0014426900000000 ] - [ 0.0000139100000000, -0.0000696800000000, 0.0002064600000000 ] - [ 0.0001845100000000, -0.0003693400000000, -0.0000692800000000 ] - [ 0.0003140700000000, -0.0006720600000000, -0.0004208400000000 ] - [ 0.0001280400000000, -0.0001002700000000, -0.0001162600000000 ] - [ 0.0006518700000000, -0.0008355300000000, 0.0002165100000000 ] - [ 0.0011345900000000, 0.0025928500000000, 0.0006999000000000 ] - [ 0.0000868300000000, 0.0003499200000000, -0.0000294900000000 ] - [ 0.0004714400000000, -0.0019773600000000, 0.0007582400000000 ] - [ 0.0002267400000000, -0.0001089700000000, 0.0001234400000000 ] - [ -0.0016544700000000, -0.0002779300000000, -0.0003766600000000 ] - [ 0.0000606000000000, -0.0001164800000000, 0.0001771300000000 ] - [ -0.0000301700000000, -0.0013188700000000, -0.0012336100000000 ] - [ 0.0002588400000000, -0.0000876700000000, -0.0001336000000000 ] - [ -0.0002853900000000, 0.0006782400000000, -0.0004553500000000 ] - [ -0.0000645700000000, -0.0001822700000000, 0.0001700900000000 ] - [ 0.0007556300000000, 0.0008893000000000, 0.0000709600000000 ] - [ -0.0002406200000000, 0.0006674700000000, 0.0001990300000000 ] - [ 0.0000234400000000, -0.0005569600000000, -0.0001824200000000 ] - [ -0.0003437600000000, -0.0010697100000000, -0.0003103900000000 ] - [ -0.0000842900000000, 0.0000289200000000, 0.0001559800000000 ] - [ 0.0000254000000000, 0.0001822800000000, 0.0004863800000000 ] - [ -0.0007496800000000, -0.0019140600000000, -0.0000663100000000 ] - [ 0.0001049400000000, 0.0001531100000000, 0.0003920300000000 ] - [ 0.0001876300000000, -0.0004421300000000, 0.0003554400000000 ] - [ -0.0001350600000000, 0.0001459300000000, -0.0000196100000000 ] - [ 0.0007810500000000, 0.0019625600000000, 0.0001003500000000 ] - [ -0.0000816100000000, 0.0002431100000000, -0.0002604800000000 ] - [ -0.0001284300000000, -0.0002340600000000, 0.0002743300000000 ] - [ -0.0014149500000000, 0.0028651000000000, 0.0007737200000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008261700000000, 0.0006743400000000, 0.0005529800000000 ] - [ -0.0030727700000000, 0.0189582900000000, 0.0000136100000000 ] - [ -0.0000244600000000, 0.0000916400000000, -0.0000211300000000 ] - [ -0.0002745700000000, 0.0000438600000000, 0.0001561300000000 ] - [ -0.0018098700000000, -0.0013344200000000, 0.0016487200000000 ] - [ 0.0022085500000000, -0.0033138200000000, -0.0005217700000000 ] - [ -0.0001213800000000, 0.0000582500000000, -0.0001870200000000 ] - [ -0.0000020100000000, -0.0002700100000000, -0.0000999000000000 ] - [ 0.0001134300000000, -0.0001575300000000, 0.0003265600000000 ] - [ -0.0000369200000000, -0.0006424800000000, -0.0000757900000000 ] - [ 0.0000879100000000, 0.0019977100000000, -0.0001063800000000 ] - [ -0.0001242500000000, 0.0004289800000000, -0.0000712400000000 ] - [ -0.0000307100000000, -0.0002335200000000, 0.0000814500000000 ] - [ 0.0001012800000000, -0.0002560200000000, 0.0000593200000000 ] - [ 0.0001546200000000, -0.0002270000000000, -0.0001126300000000 ] - [ -0.0000394100000000, -0.0001357500000000, -0.0000902100000000 ] - [ -0.0000710900000000, 0.0002767800000000, 0.0002389800000000 ] - [ 0.0019330000000000, -0.0074238600000000, 0.0007954500000000 ] - [ 0.0002461600000000, 0.0001204800000000, -0.0001654200000000 ] - [ -0.0000911100000000, -0.0000778000000000, 0.0000979200000000 ] - [ 0.0002208300000000, -0.0000807900000000, 0.0001307800000000 ] - [ 0.0002066500000000, -0.0006468100000000, 0.0005415100000000 ] - [ 0.0001091600000000, -0.0006630300000000, 0.0003171300000000 ] - [ 0.0000052500000000, -0.0000960300000000, -0.0001109900000000 ] - [ 0.0000577900000000, -0.0000803300000000, -0.0000868700000000 ] - [ -0.0000561800000000, 0.0002093100000000, 0.0000554900000000 ] - [ 0.0000162500000000, -0.0008838700000000, 0.0001246200000000 ] - [ 0.0001350800000000, -0.0000310000000000, -0.0000740100000000 ] - [ -0.0001015800000000, 0.0002040300000000, -0.0002582700000000 ] - [ -0.0000714500000000, 0.0002091200000000, -0.0000673100000000 ] - [ -0.0003315300000000, 0.0008574400000000, -0.0013011700000000 ] - [ -0.0001018200000000, 0.0001081400000000, -0.0002688000000000 ] - [ -0.0002882500000000, -0.0002943100000000, -0.0022254800000000 ] - [ 0.0003745200000000, -0.0003778200000000, -0.0002310100000000 ] - [ -0.0000419400000000, 0.0001240700000000, 0.0000836000000000 ] - [ -0.0000476900000000, 0.0001739500000000, -0.0000572600000000 ] - [ 0.0002244700000000, -0.0003509400000000, 0.0001034300000000 ] - [ -0.0003383800000000, -0.0005918900000000, -0.0005119100000000 ] - [ -0.0000458000000000, -0.0002160900000000, 0.0000367000000000 ] - [ 0.0001314700000000, -0.0002400800000000, -0.0000192100000000 ] - [ -0.0048136000000000, -0.0014952000000000, 0.0031291100000000 ] - [ 0.0030464200000000, 0.0030140400000000, 0.0005572100000000 ] - [ 0.0003644300000000, -0.0014937800000000, 0.0004617000000000 ] - [ -0.0000163100000000, -0.0000885100000000, -0.0001612000000000 ] - [ -0.0014051600000000, -0.0022595900000000, -0.0009259200000000 ] - [ 0.0000022100000000, -0.0010314500000000, -0.0006054600000000 ] - [ -0.0001446300000000, 0.0006592000000000, -0.0001167900000000 ] - [ 0.0001866800000000, 0.0001357100000000, 0.0000195500000000 ] - [ -0.0006094300000000, -0.0015240500000000, -0.0005601800000000 ] - [ -0.0001972600000000, -0.0002217900000000, -0.0002006600000000 ] - [ 0.0005457100000000, 0.0002136000000000, 0.0008790800000000 ] - [ 0.0004343400000000, -0.0012203000000000, -0.0004356700000000 ] - [ -0.0000245500000000, 0.0003635400000000, -0.0003704100000000 ] - [ -0.0001552900000000, -0.0004979400000000, -0.0002775600000000 ] - [ 0.0001969200000000, 0.0005976900000000, 0.0003565700000000 ] - [ 0.0001209700000000, 0.0009364400000000, 0.0001025500000000 ] - [ -0.0024983100000000, 0.0013305200000000, -0.0003508600000000 ] - [ 0.0001316200000000, -0.0000248300000000, -0.0002221700000000 ] - [ 0.0012989400000000, 0.0023286700000000, 0.0046671400000000 ] - [ 0.0003490900000000, -0.0006495900000000, 0.0001572400000000 ] - [ 0.0001702300000000, -0.0012986500000000, -0.0010800900000000 ] - [ -0.0019637200000000, 0.0001888900000000, 0.0031991600000000 ] - [ 0.0004960800000000, 0.0039271700000000, -0.0008275700000000 ] - [ 0.0002358800000000, -0.0009729400000000, 0.0002946700000000 ] - [ 0.0000436700000000, -0.0001995400000000, -0.0000601100000000 ] - [ -0.0004382300000000, -0.0005779000000000, 0.0002248700000000 ] - [ -0.0006422900000000, -0.0011060400000000, 0.0003400500000000 ] - [ -0.0001350200000000, 0.0000476600000000, -0.0002227800000000 ] - [ -0.0000124400000000, -0.0000490800000000, 0.0000158400000000 ] - [ -0.0000738100000000, -0.0004663000000000, -0.0001720000000000 ] - [ 0.0000333900000000, -0.0002732600000000, 0.0001344300000000 ] - [ 0.0011474200000000, -0.0018298700000000, -0.0002816600000000 ] - [ -0.0001854500000000, -0.0003806200000000, -0.0001238500000000 ] - [ 0.0000947200000000, -0.0003824100000000, 0.0002109100000000 ] - [ -0.0002031600000000, 0.0003581900000000, -0.0001128600000000 ] - [ 0.0005240100000000, 0.0003600300000000, -0.0013160700000000 ] - [ 0.0002607400000000, 0.0015477000000000, 0.0005686700000000 ] - [ -0.0003638900000000, 0.0008004600000000, -0.0001920200000000 ] - [ -0.0001022300000000, 0.0002847400000000, 0.0001978100000000 ] - [ 0.0002346800000000, 0.0003643300000000, 0.0002597400000000 ] - [ 0.0005542900000000, -0.0004760400000000, -0.0002831400000000 ] - [ 0.0008070200000000, 0.0003113600000000, -0.0014502500000000 ] - [ 0.0001930700000000, 0.0003368000000000, -0.0003549700000000 ] - [ -0.0000939200000000, 0.0003415800000000, -0.0000697900000000 ] - [ 0.0000089400000000, -0.0001808100000000, -0.0000492000000000 ] - [ -0.0000767800000000, 0.0000788700000000, 0.0002818600000000 ] - [ 0.0004522200000000, -0.0028207200000000, 0.0000577300000000 ] - [ -0.0000644700000000, 0.0000324500000000, 0.0000075700000000 ] - [ 0.0000763700000000, 0.0005179700000000, -0.0002544300000000 ] - [ -0.0005917500000000, -0.0001054800000000, -0.0013041300000000 ] - [ -0.0001017700000000, -0.0005787700000000, -0.0000174800000000 ] - [ 0.0001650900000000, 0.0002956900000000, -0.0000555100000000 ] - [ 0.0000868000000000, -0.0001111900000000, -0.0001339300000000 ] - [ 0.0009458500000000, -0.0019499800000000, -0.0010549500000000 ] - [ -0.0001091000000000, 0.0006877900000000, 0.0002631300000000 ] - [ -0.0001391000000000, -0.0004494500000000, -0.0023931900000000 ] - [ 0.0000388500000000, 0.0009832700000000, 0.0005604400000000 ] - [ 0.0014537100000000, 0.0013265100000000, -0.0002864700000000 ] - [ -0.0013242600000000, -0.0018259500000000, 0.0005836700000000 ] - [ -0.0000683800000000, 0.0000493500000000, 0.0000339200000000 ] - [ 0.0005827200000000, -0.0021649800000000, 0.0001394500000000 ] - [ -0.0001684800000000, 0.0004356400000000, 0.0002880100000000 ] - [ 0.0003752600000000, -0.0012836100000000, -0.0012610300000000 ] - [ 0.0001425700000000, 0.0006002200000000, 0.0000570100000000 ] - [ 0.0001157500000000, 0.0006461100000000, -0.0001457200000000 ] - [ -0.0000120900000000, 0.0007186400000000, 0.0006065800000000 ] - [ 0.0001756200000000, 0.0001451900000000, -0.0000643500000000 ] - [ -0.0003607700000000, 0.0005624700000000, 0.0000004400000000 ] - [ -0.0009720700000000, -0.0028107700000000, -0.0006881800000000 ] - [ 0.0000949400000000, -0.0001237600000000, 0.0000391600000000 ] - [ -0.0003129000000000, 0.0014394200000000, -0.0004883900000000 ] - [ -0.0002259100000000, 0.0001074000000000, -0.0001231600000000 ] - [ 0.0016694200000000, 0.0002641600000000, 0.0003779200000000 ] - [ 0.0002373800000000, 0.0003933100000000, 0.0000395500000000 ] - [ -0.0000089400000000, 0.0012769100000000, 0.0011603500000000 ] - [ -0.0001055100000000, 0.0006171000000000, -0.0001297800000000 ] - [ 0.0004894500000000, -0.0005185900000000, 0.0001416800000000 ] - [ -0.0001436100000000, 0.0003497000000000, 0.0001368500000000 ] - [ -0.0009141000000000, -0.0003465700000000, -0.0003387200000000 ] - [ 0.0000836500000000, -0.0001345000000000, 0.0000654700000000 ] - [ 0.0002766800000000, 0.0005101900000000, 0.0003598700000000 ] - [ 0.0002270900000000, 0.0009888300000000, -0.0003178700000000 ] - [ -0.0000236800000000, 0.0001902600000000, 0.0003316300000000 ] - [ 0.0000898700000000, -0.0002620200000000, 0.0001437200000000 ] - [ 0.0005499700000000, 0.0017571900000000, 0.0003774900000000 ] - [ 0.0000026300000000, 0.0000694900000000, 0.0000952100000000 ] - [ -0.0003054400000000, 0.0005239300000000, 0.0002754600000000 ] - [ -0.0001677800000000, -0.0000991900000000, -0.0001614100000000 ] - [ -0.0006638400000000, -0.0018820300000000, -0.0007291000000000 ] - [ -0.0002152800000000, -0.0005165100000000, 0.0000428600000000 ] - [ 0.0000113000000000, 0.0001526500000000, 0.0003576100000000 ] - [ 0.0013006100000000, -0.0033956700000000, -0.0005305100000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0019007800000000, -0.0001637900000000, 0.0006051800000000 ] - [ 0.0012875800000000, 0.0001392800000000, -0.0147769600000000 ] - [ 0.0000209000000000, 0.0001816800000000, 0.0001919500000000 ] - [ -0.0003122200000000, -0.0000595500000000, 0.0000965100000000 ] - [ -0.0015661600000000, -0.0019863100000000, 0.0002992400000000 ] - [ 0.0000395000000000, 0.0006118600000000, -0.0016563300000000 ] - [ -0.0002503400000000, 0.0000007600000000, 0.0000640400000000 ] - [ 0.0001045500000000, -0.0000283400000000, -0.0001755300000000 ] - [ 0.0001984000000000, -0.0002998800000000, 0.0004772500000000 ] - [ -0.0000206000000000, -0.0000785800000000, -0.0003151600000000 ] - [ 0.0027273600000000, 0.0000061300000000, -0.0015841100000000 ] - [ -0.0008339400000000, 0.0000552600000000, 0.0007797000000000 ] - [ 0.0000571400000000, -0.0000549600000000, 0.0001111200000000 ] - [ 0.0001030600000000, -0.0000693100000000, 0.0003602100000000 ] - [ 0.0001774000000000, -0.0001422600000000, -0.0000639300000000 ] - [ 0.0000342500000000, 0.0000152200000000, 0.0001845500000000 ] - [ -0.0001306800000000, 0.0001112500000000, 0.0011114200000000 ] - [ 0.0003331900000000, -0.0008235200000000, -0.0020662200000000 ] - [ -0.0001101100000000, 0.0003597000000000, 0.0004377900000000 ] - [ -0.0000594200000000, -0.0001840800000000, 0.0008132000000000 ] - [ 0.0002339800000000, -0.0002992100000000, -0.0000073500000000 ] - [ 0.0002353200000000, -0.0005904000000000, 0.0001876500000000 ] - [ 0.0000829700000000, -0.0004173700000000, 0.0002649900000000 ] - [ 0.0000306400000000, -0.0000293700000000, -0.0002696900000000 ] - [ 0.0000155000000000, 0.0000413500000000, 0.0000224000000000 ] - [ -0.0001783600000000, 0.0000247900000000, 0.0006685500000000 ] - [ 0.0000675400000000, 0.0000035700000000, -0.0001943000000000 ] - [ -0.0002413200000000, 0.0000342500000000, -0.0002450900000000 ] - [ -0.0001627300000000, 0.0002181200000000, -0.0002839400000000 ] - [ -0.0002710600000000, -0.0000610100000000, -0.0003594300000000 ] - [ 0.0004101400000000, 0.0017401200000000, 0.0037913100000000 ] - [ 0.0003500300000000, 0.0003079500000000, 0.0001089900000000 ] - [ -0.0000886100000000, 0.0028927600000000, 0.0024524100000000 ] - [ -0.0001509300000000, 0.0001749700000000, 0.0000438200000000 ] - [ -0.0000612700000000, 0.0000643900000000, 0.0002243000000000 ] - [ -0.0000146100000000, 0.0000711800000000, 0.0001470300000000 ] - [ 0.0000709100000000, -0.0001277400000000, -0.0002108400000000 ] - [ 0.0003028900000000, 0.0001407600000000, -0.0002137400000000 ] - [ 0.0000004400000000, -0.0000832900000000, 0.0004355600000000 ] - [ -0.0000988500000000, 0.0000549200000000, 0.0000188900000000 ] - [ -0.0014064800000000, -0.0015291200000000, -0.0019096600000000 ] - [ -0.0032705700000000, -0.0008664800000000, -0.0030696300000000 ] - [ 0.0002751500000000, 0.0002332000000000, 0.0000335300000000 ] - [ -0.0000530300000000, 0.0001247200000000, 0.0001498800000000 ] - [ 0.0003531100000000, 0.0010085400000000, -0.0013055200000000 ] - [ 0.0000018500000000, 0.0002498000000000, 0.0001867000000000 ] - [ 0.0004002700000000, 0.0000574500000000, 0.0009127300000000 ] - [ 0.0002069300000000, -0.0002239400000000, 0.0003028900000000 ] - [ -0.0003085200000000, -0.0006273300000000, -0.0007778500000000 ] - [ -0.0001212000000000, -0.0000167100000000, 0.0001638600000000 ] - [ 0.0005337900000000, -0.0003456200000000, 0.0022584400000000 ] - [ 0.0001674800000000, -0.0003771700000000, -0.0006197300000000 ] - [ -0.0000595800000000, 0.0002244000000000, 0.0004797600000000 ] - [ -0.0002766700000000, 0.0000121900000000, -0.0004230600000000 ] - [ 0.0019159900000000, 0.0010389900000000, 0.0020150000000000 ] - [ -0.0001191200000000, -0.0003769300000000, -0.0005271200000000 ] - [ 0.0004968400000000, -0.0005703400000000, -0.0018220000000000 ] - [ 0.0002547300000000, -0.0000852600000000, 0.0001806800000000 ] - [ 0.0027625600000000, -0.0023027700000000, 0.0066027000000000 ] - [ -0.0000291900000000, -0.0001500200000000, 0.0011907700000000 ] - [ -0.0004228700000000, 0.0006715200000000, 0.0004249000000000 ] - [ -0.0025886400000000, -0.0033499200000000, 0.0033388300000000 ] - [ -0.0048240700000000, -0.0000968900000000, 0.0018078400000000 ] - [ 0.0000232900000000, -0.0004728300000000, 0.0004544100000000 ] - [ 0.0001635700000000, -0.0002371700000000, -0.0005960500000000 ] - [ 0.0010832000000000, -0.0000925600000000, -0.0007452500000000 ] - [ 0.0007328400000000, 0.0004843700000000, 0.0006624700000000 ] - [ -0.0001320000000000, 0.0000281600000000, -0.0003720400000000 ] - [ 0.0001277500000000, 0.0000419800000000, -0.0004058700000000 ] - [ -0.0002378500000000, -0.0003541500000000, -0.0008349800000000 ] - [ -0.0008573200000000, 0.0001767000000000, -0.0009491000000000 ] - [ 0.0016515900000000, 0.0004909700000000, -0.0015889600000000 ] - [ -0.0002207600000000, 0.0001092000000000, 0.0002748200000000 ] - [ 0.0001996300000000, -0.0000201700000000, 0.0003016300000000 ] - [ -0.0000519700000000, 0.0000107400000000, -0.0002953300000000 ] - [ 0.0006445800000000, 0.0010098000000000, -0.0018751400000000 ] - [ -0.0001932900000000, 0.0000426500000000, 0.0003224400000000 ] - [ 0.0000307000000000, 0.0000745300000000, -0.0003422700000000 ] - [ -0.0000292300000000, -0.0004169000000000, -0.0006924300000000 ] - [ 0.0001700500000000, 0.0000609000000000, 0.0003830000000000 ] - [ -0.0000747200000000, 0.0001854200000000, 0.0006811100000000 ] - [ 0.0011982400000000, 0.0010323100000000, 0.0008285500000000 ] - [ 0.0002744500000000, 0.0001494800000000, -0.0002751800000000 ] - [ -0.0000743500000000, 0.0002994400000000, -0.0002491800000000 ] - [ 0.0002028500000000, -0.0000448700000000, -0.0010269000000000 ] - [ 0.0000194000000000, -0.0002099300000000, 0.0003435300000000 ] - [ 0.0001656200000000, -0.0007050900000000, 0.0026101200000000 ] - [ -0.0001390300000000, -0.0000039200000000, -0.0002949900000000 ] - [ -0.0000220500000000, 0.0001864800000000, 0.0000086300000000 ] - [ -0.0010594300000000, 0.0006882300000000, -0.0018386500000000 ] - [ -0.0004402900000000, 0.0000905100000000, -0.0009682700000000 ] - [ 0.0002144100000000, -0.0000318700000000, 0.0000941500000000 ] - [ 0.0001381300000000, -0.0002846800000000, -0.0003548700000000 ] - [ 0.0009544500000000, 0.0012127500000000, 0.0008710800000000 ] - [ -0.0000810600000000, 0.0001239100000000, 0.0002738500000000 ] - [ -0.0003783100000000, 0.0023442500000000, -0.0016894500000000 ] - [ -0.0001118000000000, -0.0005155700000000, 0.0001019400000000 ] - [ 0.0004105400000000, 0.0005643500000000, 0.0005036100000000 ] - [ 0.0013344200000000, -0.0009232600000000, 0.0016624200000000 ] - [ 0.0000587100000000, 0.0000354900000000, -0.0003521800000000 ] - [ 0.0004187000000000, 0.0003968400000000, 0.0027026300000000 ] - [ 0.0001100800000000, -0.0004270000000000, -0.0004856500000000 ] - [ 0.0001711500000000, 0.0004123600000000, -0.0026408100000000 ] - [ 0.0001249100000000, 0.0004474900000000, -0.0001874500000000 ] - [ 0.0000117800000000, 0.0002164500000000, -0.0000864400000000 ] - [ 0.0003346200000000, -0.0001832000000000, 0.0001980900000000 ] - [ 0.0001437600000000, 0.0000151600000000, -0.0002872200000000 ] - [ -0.0000266600000000, 0.0000348800000000, 0.0004790200000000 ] - [ 0.0011500300000000, 0.0008117100000000, 0.0019559300000000 ] - [ 0.0000877000000000, 0.0003227300000000, -0.0005982600000000 ] - [ -0.0000032200000000, -0.0001004100000000, 0.0003664100000000 ] - [ -0.0003615000000000, 0.0003655300000000, -0.0004626300000000 ] - [ -0.0004128600000000, -0.0001409100000000, 0.0007467900000000 ] - [ 0.0002847200000000, 0.0002493100000000, -0.0001521100000000 ] - [ -0.0002744100000000, -0.0011494800000000, 0.0002413500000000 ] - [ 0.0000443000000000, 0.0002102900000000, 0.0001469200000000 ] - [ 0.0000281400000000, -0.0000203100000000, 0.0004523000000000 ] - [ -0.0001527400000000, 0.0001662200000000, -0.0003881000000000 ] - [ 0.0005315900000000, 0.0001262800000000, 0.0012835400000000 ] - [ -0.0003807200000000, -0.0002669700000000, -0.0009250300000000 ] - [ 0.0000154700000000, 0.0000175600000000, -0.0000514900000000 ] - [ -0.0002611000000000, -0.0003079700000000, -0.0003435600000000 ] - [ -0.0000526600000000, -0.0000095000000000, 0.0001126200000000 ] - [ -0.0001118400000000, 0.0000144600000000, -0.0001362800000000 ] - [ -0.0000452500000000, 0.0001446600000000, 0.0012210000000000 ] - [ -0.0000502300000000, 0.0002054800000000, 0.0000693400000000 ] - [ -0.0000129600000000, 0.0000519100000000, 0.0004649900000000 ] - [ -0.0001317000000000, 0.0000620900000000, -0.0003951200000000 ] - [ -0.0021614400000000, -0.0009543400000000, -0.0025930400000000 ] - [ -0.0008124100000000, -0.0005529500000000, -0.0002192500000000 ] - [ -0.0000714500000000, -0.0000400000000000, 0.0001760400000000 ] - [ -0.0019508200000000, 0.0002983600000000, 0.0036354500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0018973700000000, 0.0002130300000000, -0.0004846900000000 ] - [ -0.0016125800000000, 0.0001201800000000, 0.0148821600000000 ] - [ -0.0000535400000000, 0.0000319400000000, -0.0001821700000000 ] - [ 0.0001202600000000, 0.0002771500000000, -0.0001226100000000 ] - [ 0.0013668900000000, 0.0017610500000000, -0.0002788500000000 ] - [ -0.0000118900000000, -0.0003868200000000, 0.0016486200000000 ] - [ -0.0000260700000000, -0.0001649800000000, -0.0003681400000000 ] - [ 0.0000435700000000, -0.0000650100000000, 0.0000135700000000 ] - [ -0.0003920200000000, 0.0005180800000000, -0.0004496500000000 ] - [ 0.0000071300000000, 0.0000296000000000, 0.0001977800000000 ] - [ -0.0027196800000000, -0.0000532400000000, 0.0014495600000000 ] - [ 0.0008403400000000, -0.0001017900000000, -0.0006640700000000 ] - [ -0.0000704400000000, 0.0000065900000000, 0.0000040500000000 ] - [ 0.0000453900000000, -0.0000249000000000, -0.0001973000000000 ] - [ 0.0000989400000000, -0.0000214200000000, -0.0002407000000000 ] - [ -0.0000485000000000, 0.0000326900000000, -0.0003001700000000 ] - [ -0.0000175300000000, -0.0002029400000000, -0.0009475600000000 ] - [ -0.0003607700000000, 0.0010065900000000, 0.0020657500000000 ] - [ 0.0003050100000000, -0.0001441300000000, -0.0004095600000000 ] - [ 0.0000257300000000, -0.0000316900000000, -0.0008233400000000 ] - [ -0.0004260200000000, 0.0000823600000000, -0.0000217100000000 ] - [ 0.0000419800000000, 0.0007533000000000, 0.0001162800000000 ] - [ 0.0001935200000000, 0.0002540500000000, 0.0000411000000000 ] - [ 0.0002454400000000, 0.0001937000000000, -0.0000365700000000 ] - [ 0.0001323000000000, 0.0000522700000000, -0.0001858700000000 ] - [ 0.0001940800000000, 0.0000240300000000, -0.0007850700000000 ] - [ 0.0000801800000000, 0.0000895100000000, 0.0003572600000000 ] - [ 0.0002080400000000, -0.0002469500000000, 0.0002565200000000 ] - [ -0.0001124400000000, -0.0000549200000000, -0.0000230400000000 ] - [ 0.0001238200000000, -0.0000331100000000, 0.0001982900000000 ] - [ -0.0006920100000000, -0.0019278000000000, -0.0035261000000000 ] - [ -0.0001592000000000, -0.0000920100000000, -0.0001342000000000 ] - [ -0.0001908100000000, -0.0026987500000000, -0.0021312300000000 ] - [ 0.0003435100000000, -0.0003923900000000, -0.0000733700000000 ] - [ 0.0000936600000000, 0.0001483900000000, -0.0002144700000000 ] - [ -0.0001329300000000, 0.0000223200000000, -0.0003109200000000 ] - [ -0.0000372600000000, -0.0000862200000000, 0.0002225600000000 ] - [ -0.0001099000000000, -0.0003578300000000, 0.0002375400000000 ] - [ 0.0000332000000000, -0.0001286800000000, -0.0004456900000000 ] - [ 0.0000859200000000, -0.0000066800000000, 0.0000983200000000 ] - [ 0.0013011800000000, 0.0019591300000000, 0.0025751200000000 ] - [ 0.0031976100000000, 0.0003721500000000, 0.0026517300000000 ] - [ -0.0001746400000000, 0.0002470900000000, 0.0003696100000000 ] - [ 0.0001530200000000, 0.0003572200000000, -0.0005476400000000 ] - [ -0.0002603200000000, -0.0005654900000000, 0.0019492300000000 ] - [ -0.0003091300000000, -0.0001857500000000, 0.0000890400000000 ] - [ -0.0005063400000000, 0.0004263200000000, -0.0013135200000000 ] - [ 0.0001007500000000, 0.0001624800000000, -0.0005811600000000 ] - [ 0.0004047300000000, 0.0001907200000000, 0.0001419300000000 ] - [ -0.0001876200000000, -0.0000466800000000, -0.0004423100000000 ] - [ -0.0006280400000000, -0.0000926900000000, -0.0016204900000000 ] - [ -0.0000659700000000, -0.0001047100000000, 0.0002187200000000 ] - [ -0.0000410600000000, 0.0002116500000000, -0.0011161500000000 ] - [ -0.0000322200000000, 0.0000508100000000, 0.0001415600000000 ] - [ -0.0020015600000000, -0.0015115900000000, -0.0016092500000000 ] - [ 0.0004325300000000, 0.0004429900000000, 0.0002415600000000 ] - [ -0.0005757800000000, 0.0001558000000000, 0.0011986800000000 ] - [ -0.0001550900000000, 0.0005169700000000, -0.0008155900000000 ] - [ -0.0024135900000000, 0.0023023200000000, -0.0062752100000000 ] - [ 0.0001259100000000, -0.0002835100000000, -0.0005547000000000 ] - [ 0.0001136200000000, -0.0007383900000000, -0.0001404200000000 ] - [ 0.0028953700000000, 0.0033240200000000, -0.0030819500000000 ] - [ 0.0047635500000000, 0.0005620300000000, -0.0013948100000000 ] - [ 0.0000764300000000, -0.0000095300000000, -0.0000570800000000 ] - [ 0.0000445300000000, 0.0000689300000000, 0.0002879000000000 ] - [ -0.0013806800000000, 0.0003715600000000, 0.0005194400000000 ] - [ -0.0006235000000000, -0.0004062600000000, -0.0000236300000000 ] - [ -0.0000751400000000, -0.0001953500000000, 0.0000623500000000 ] - [ -0.0000865900000000, -0.0000852500000000, 0.0004882100000000 ] - [ 0.0000838700000000, -0.0001772400000000, 0.0005708100000000 ] - [ 0.0005679200000000, 0.0000970400000000, 0.0011706400000000 ] - [ -0.0015538200000000, -0.0005765900000000, 0.0009656500000000 ] - [ -0.0000825600000000, -0.0001558200000000, -0.0004545300000000 ] - [ -0.0000913000000000, -0.0002006200000000, 0.0001878500000000 ] - [ -0.0001282400000000, -0.0002353400000000, 0.0002853000000000 ] - [ -0.0005335300000000, -0.0007953200000000, 0.0013904900000000 ] - [ 0.0000130100000000, 0.0001802900000000, -0.0003352500000000 ] - [ -0.0001466200000000, 0.0000071100000000, -0.0002885800000000 ] - [ -0.0000799300000000, 0.0006418600000000, 0.0002059100000000 ] - [ -0.0002099800000000, -0.0000171900000000, -0.0002999900000000 ] - [ 0.0001092100000000, -0.0001466200000000, -0.0005948600000000 ] - [ -0.0011649700000000, -0.0010825400000000, -0.0009224200000000 ] - [ 0.0000228900000000, -0.0004243000000000, 0.0000579500000000 ] - [ -0.0001060000000000, -0.0000740200000000, 0.0002600300000000 ] - [ 0.0000030200000000, 0.0002135500000000, 0.0013353500000000 ] - [ -0.0001278000000000, -0.0000108400000000, 0.0001458400000000 ] - [ 0.0000003500000000, 0.0003672400000000, -0.0029488000000000 ] - [ 0.0000981600000000, -0.0000370200000000, 0.0003773200000000 ] - [ -0.0001856700000000, -0.0000186000000000, -0.0003179800000000 ] - [ 0.0010966000000000, -0.0006379800000000, 0.0017610800000000 ] - [ 0.0006168400000000, -0.0003132900000000, 0.0009552300000000 ] - [ 0.0000890300000000, -0.0000132500000000, -0.0002745700000000 ] - [ 0.0000194600000000, -0.0002497200000000, 0.0000876900000000 ] - [ -0.0007759000000000, -0.0009925900000000, -0.0008915000000000 ] - [ -0.0000984200000000, -0.0003475700000000, -0.0002632900000000 ] - [ 0.0000805300000000, -0.0022707600000000, 0.0018062100000000 ] - [ 0.0000034100000000, 0.0002956200000000, -0.0005827500000000 ] - [ -0.0004060400000000, -0.0005601100000000, -0.0005079300000000 ] - [ -0.0016684700000000, 0.0006689500000000, -0.0014077000000000 ] - [ -0.0000578000000000, -0.0000357300000000, 0.0003526300000000 ] - [ -0.0002055800000000, -0.0005625300000000, -0.0023989400000000 ] - [ -0.0001503100000000, 0.0004688600000000, 0.0004039600000000 ] - [ -0.0004741100000000, -0.0004470700000000, 0.0027996300000000 ] - [ 0.0000327200000000, 0.0000868900000000, 0.0004539000000000 ] - [ 0.0002845000000000, 0.0000591200000000, -0.0001337600000000 ] - [ -0.0000327900000000, 0.0002297900000000, -0.0000199900000000 ] - [ 0.0001599800000000, 0.0000305300000000, 0.0001060200000000 ] - [ 0.0003210400000000, -0.0003096100000000, -0.0002582100000000 ] - [ -0.0009633100000000, -0.0010368000000000, -0.0019368300000000 ] - [ 0.0000958100000000, -0.0001003100000000, 0.0006097200000000 ] - [ 0.0001588900000000, -0.0004275700000000, -0.0001050300000000 ] - [ 0.0003584500000000, -0.0003623200000000, 0.0004626900000000 ] - [ 0.0004125100000000, 0.0001310000000000, -0.0007509400000000 ] - [ 0.0000131000000000, 0.0000271500000000, 0.0003679600000000 ] - [ 0.0002369900000000, 0.0011075600000000, -0.0003296300000000 ] - [ 0.0001118100000000, 0.0003200900000000, -0.0004113100000000 ] - [ 0.0001760300000000, 0.0001859400000000, -0.0007688100000000 ] - [ -0.0000551800000000, 0.0000001400000000, 0.0006957100000000 ] - [ -0.0006941200000000, 0.0004117800000000, -0.0015521400000000 ] - [ 0.0002207800000000, 0.0007953500000000, 0.0011879800000000 ] - [ 0.0002858100000000, -0.0000639300000000, 0.0002332700000000 ] - [ 0.0001470500000000, 0.0002290900000000, -0.0002911200000000 ] - [ -0.0000553300000000, 0.0002302400000000, 0.0003741400000000 ] - [ 0.0002300000000000, -0.0000973300000000, 0.0007672200000000 ] - [ -0.0001627600000000, -0.0003155100000000, -0.0009110600000000 ] - [ 0.0001589200000000, 0.0000145300000000, 0.0004166100000000 ] - [ -0.0001027500000000, 0.0000295400000000, 0.0001677700000000 ] - [ -0.0001718100000000, -0.0000168900000000, 0.0002136700000000 ] - [ 0.0022580100000000, 0.0010320100000000, 0.0019473100000000 ] - [ 0.0005106800000000, 0.0002751200000000, 0.0000042600000000 ] - [ -0.0000448900000000, -0.0000414500000000, 0.0004554700000000 ] - [ 0.0019027200000000, -0.0008735900000000, -0.0034188900000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001790100000000, -0.0000252200000000, 0.0002359700000000 ] - [ 0.0001429900000000, 0.0000546300000000, 0.0001184600000000 ] - [ -0.0208014300000000, 0.0056399900000000, 0.0007806600000000 ] - [ -0.0005979000000000, 0.0001580900000000, -0.0007136900000000 ] - [ 0.0000832000000000, -0.0001354400000000, -0.0000237700000000 ] - [ 0.0000457200000000, 0.0001411200000000, 0.0000352700000000 ] - [ -0.0004405000000000, -0.0002375100000000, -0.0000598000000000 ] - [ -0.0000165600000000, 0.0000157100000000, -0.0000980300000000 ] - [ 0.0004914900000000, 0.0001582000000000, 0.0003030400000000 ] - [ 0.0002082800000000, 0.0000770700000000, -0.0001302800000000 ] - [ -0.0000935600000000, 0.0001486200000000, 0.0003122200000000 ] - [ 0.0006387700000000, -0.0006559200000000, -0.0002604400000000 ] - [ -0.0003755200000000, -0.0015283300000000, 0.0009179500000000 ] - [ 0.0003977900000000, -0.0002548500000000, 0.0000280900000000 ] - [ -0.0001087400000000, 0.0007499900000000, 0.0005582700000000 ] - [ 0.0001710600000000, 0.0001286700000000, 0.0000127600000000 ] - [ 0.0008581500000000, 0.0001035600000000, -0.0001425500000000 ] - [ 0.0002072500000000, 0.0000998100000000, 0.0000044800000000 ] - [ 0.0000769900000000, 0.0001311800000000, -0.0000907100000000 ] - [ 0.0002453600000000, -0.0001083900000000, -0.0000288600000000 ] - [ -0.0003180900000000, -0.0000449300000000, 0.0000565200000000 ] - [ 0.0002685700000000, 0.0000231600000000, 0.0002081100000000 ] - [ 0.0003858700000000, -0.0001606400000000, -0.0000541400000000 ] - [ 0.0000564500000000, 0.0001705600000000, -0.0002142800000000 ] - [ -0.0000736800000000, 0.0022269900000000, -0.0000545500000000 ] - [ 0.0002648200000000, 0.0010913400000000, -0.0014035900000000 ] - [ 0.0001831800000000, -0.0000112600000000, 0.0001586000000000 ] - [ -0.0001239200000000, -0.0001250300000000, 0.0000015000000000 ] - [ -0.0014808000000000, -0.0003793600000000, -0.0009209400000000 ] - [ -0.0002836900000000, -0.0001214300000000, -0.0000392200000000 ] - [ 0.0000612100000000, -0.0000582900000000, 0.0001611700000000 ] - [ 0.0001141000000000, 0.0000300500000000, 0.0000446800000000 ] - [ 0.0006743700000000, 0.0000345700000000, 0.0004009500000000 ] - [ 0.0015008800000000, 0.0003902400000000, -0.0014719700000000 ] - [ -0.0000440100000000, 0.0000378500000000, 0.0000096500000000 ] - [ -0.0018554700000000, -0.0019205000000000, -0.0004272600000000 ] - [ -0.0000004200000000, -0.0000360200000000, 0.0000397300000000 ] - [ 0.0007426000000000, -0.0004453100000000, 0.0015575700000000 ] - [ 0.0026489400000000, -0.0010979800000000, -0.0010412100000000 ] - [ -0.0000964700000000, -0.0000185300000000, -0.0000817000000000 ] - [ -0.0002998100000000, 0.0001385800000000, 0.0005512100000000 ] - [ 0.0001276800000000, -0.0003974400000000, -0.0005249700000000 ] - [ 0.0004015300000000, 0.0003763600000000, 0.0002807600000000 ] - [ -0.0000328700000000, -0.0016809300000000, -0.0012633900000000 ] - [ 0.0002803400000000, 0.0002094200000000, 0.0003006300000000 ] - [ 0.0014202700000000, 0.0002305000000000, 0.0002339500000000 ] - [ 0.0003281200000000, -0.0013790600000000, 0.0006624400000000 ] - [ -0.0023397800000000, -0.0032648700000000, 0.0041961200000000 ] - [ -0.0005543700000000, -0.0002717900000000, -0.0005050100000000 ] - [ -0.0009076100000000, -0.0002766800000000, -0.0001504600000000 ] - [ 0.0003214200000000, 0.0009137800000000, 0.0000253100000000 ] - [ -0.0004896000000000, -0.0001264400000000, -0.0002182800000000 ] - [ 0.0103655700000000, -0.0021197900000000, 0.0026950900000000 ] - [ -0.0006819400000000, 0.0008396100000000, -0.0016288300000000 ] - [ 0.0017456100000000, 0.0049428400000000, 0.0027448500000000 ] - [ -0.0003333300000000, -0.0002108200000000, -0.0004377100000000 ] - [ 0.0000187400000000, -0.0003942700000000, -0.0003672800000000 ] - [ -0.0006701800000000, -0.0000618800000000, -0.0002451900000000 ] - [ 0.0012508600000000, 0.0008130500000000, 0.0002212700000000 ] - [ 0.0026968700000000, 0.0014575800000000, 0.0000852500000000 ] - [ 0.0001239100000000, -0.0000084200000000, 0.0000766400000000 ] - [ 0.0005345800000000, 0.0001361200000000, -0.0003292900000000 ] - [ -0.0002060900000000, 0.0003937500000000, 0.0000875500000000 ] - [ 0.0007884200000000, 0.0001374000000000, -0.0001313200000000 ] - [ 0.0054647000000000, -0.0008435800000000, -0.0004910700000000 ] - [ 0.0001165500000000, 0.0000510100000000, 0.0000082900000000 ] - [ 0.0001686100000000, 0.0002968000000000, 0.0006519100000000 ] - [ 0.0004730700000000, -0.0000172800000000, -0.0002284600000000 ] - [ -0.0002536700000000, 0.0012072900000000, -0.0032203000000000 ] - [ -0.0000748000000000, 0.0004063100000000, -0.0002722900000000 ] - [ -0.0007319100000000, 0.0005461000000000, -0.0002251500000000 ] - [ -0.0000492100000000, -0.0001301300000000, -0.0000302600000000 ] - [ 0.0002780300000000, 0.0000001800000000, -0.0000726700000000 ] - [ 0.0002707000000000, 0.0000735600000000, 0.0004542400000000 ] - [ -0.0007781900000000, -0.0007472800000000, 0.0001650600000000 ] - [ -0.0004890000000000, -0.0000329500000000, 0.0003098600000000 ] - [ -0.0001987800000000, 0.0000498200000000, -0.0000278000000000 ] - [ -0.0007946100000000, 0.0002556100000000, -0.0001668700000000 ] - [ -0.0002220900000000, 0.0001178100000000, -0.0001759200000000 ] - [ 0.0005739000000000, 0.0000787800000000, 0.0007042600000000 ] - [ 0.0000557900000000, 0.0001040000000000, 0.0001337500000000 ] - [ -0.0000117100000000, -0.0000153000000000, 0.0000143500000000 ] - [ -0.0001544800000000, -0.0002861600000000, -0.0000108100000000 ] - [ 0.0000263000000000, 0.0006417700000000, -0.0000167300000000 ] - [ -0.0001944000000000, -0.0002917100000000, 0.0003482100000000 ] - [ 0.0021881900000000, -0.0000156400000000, -0.0000353400000000 ] - [ -0.0002407600000000, -0.0003374900000000, -0.0004390900000000 ] - [ 0.0003420300000000, 0.0001082100000000, 0.0001926900000000 ] - [ 0.0001902800000000, 0.0000834900000000, -0.0000380200000000 ] - [ -0.0003129200000000, -0.0002864400000000, -0.0001339600000000 ] - [ 0.0002750300000000, -0.0017721500000000, 0.0004090300000000 ] - [ 0.0002426400000000, -0.0003211200000000, 0.0002948800000000 ] - [ 0.0022630400000000, -0.0017107400000000, -0.0007850900000000 ] - [ 0.0002550600000000, 0.0000712000000000, -0.0000536000000000 ] - [ 0.0001488200000000, -0.0001039500000000, 0.0000017600000000 ] - [ -0.0005842900000000, -0.0000537700000000, 0.0002278400000000 ] - [ -0.0006810700000000, -0.0000858200000000, -0.0003702300000000 ] - [ 0.0003184200000000, 0.0001953400000000, -0.0000429400000000 ] - [ -0.0005825800000000, -0.0000132600000000, 0.0003492500000000 ] - [ -0.0029428200000000, -0.0018220400000000, -0.0002289300000000 ] - [ -0.0000190800000000, -0.0001835100000000, -0.0002145400000000 ] - [ -0.0012368400000000, -0.0001976900000000, 0.0004507400000000 ] - [ -0.0009730400000000, -0.0001012700000000, 0.0001476600000000 ] - [ -0.0002803200000000, 0.0001190500000000, 0.0000972300000000 ] - [ -0.0000883900000000, -0.0000238700000000, -0.0002872300000000 ] - [ 0.0000093700000000, 0.0000663600000000, 0.0001180500000000 ] - [ 0.0004685200000000, -0.0001200300000000, -0.0002653800000000 ] - [ 0.0003277000000000, -0.0001132600000000, -0.0001272800000000 ] - [ -0.0000195000000000, 0.0000620200000000, 0.0001050200000000 ] - [ -0.0015177800000000, 0.0018281900000000, -0.0010972300000000 ] - [ -0.0001354500000000, -0.0002600000000000, 0.0000975600000000 ] - [ 0.0003089600000000, -0.0003679500000000, 0.0000529400000000 ] - [ -0.0001354700000000, 0.0001166300000000, 0.0000098000000000 ] - [ 0.0001255400000000, 0.0007960300000000, 0.0006728100000000 ] - [ -0.0001689100000000, -0.0000144100000000, 0.0000360800000000 ] - [ 0.0002774800000000, 0.0002417500000000, -0.0000900100000000 ] - [ 0.0001438600000000, 0.0001726800000000, -0.0001875800000000 ] - [ -0.0013951500000000, -0.0001664800000000, -0.0000642700000000 ] - [ -0.0001078400000000, 0.0003297700000000, -0.0000440600000000 ] - [ -0.0028292700000000, -0.0021155500000000, -0.0003511600000000 ] - [ -0.0010116100000000, 0.0004097200000000, -0.0003889800000000 ] - [ -0.0003000500000000, -0.0001318800000000, -0.0002785200000000 ] - [ 0.0001668500000000, 0.0002107000000000, 0.0002828400000000 ] - [ 0.0002769900000000, 0.0009356900000000, -0.0002450100000000 ] - [ -0.0002613100000000, -0.0000985300000000, 0.0001420600000000 ] - [ 0.0007694800000000, 0.0002660300000000, -0.0008169800000000 ] - [ 0.0006767200000000, -0.0006040700000000, 0.0005522100000000 ] - [ 0.0029453600000000, 0.0001723900000000, 0.0001873900000000 ] - [ -0.0008973500000000, -0.0012178100000000, -0.0012067800000000 ] - [ 0.0022043400000000, -0.0002552100000000, -0.0004873700000000 ] - [ 0.0006129200000000, 0.0005520600000000, 0.0008538200000000 ] - [ -0.0001151900000000, -0.0003511000000000, 0.0000983000000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001664200000000, 0.0000732400000000, -0.0001194200000000 ] - [ -0.0002905800000000, 0.0000387100000000, 0.0000441000000000 ] - [ 0.0202856800000000, -0.0051926700000000, -0.0006621100000000 ] - [ 0.0004086900000000, 0.0000601300000000, 0.0006799700000000 ] - [ -0.0002763300000000, -0.0000818300000000, 0.0000507200000000 ] - [ -0.0000119700000000, 0.0000717500000000, -0.0000458500000000 ] - [ 0.0001633700000000, 0.0000738000000000, -0.0002455700000000 ] - [ 0.0001633500000000, -0.0001095100000000, -0.0000653400000000 ] - [ -0.0006840400000000, 0.0000588800000000, -0.0002729500000000 ] - [ -0.0002227200000000, -0.0001248100000000, 0.0000130100000000 ] - [ 0.0001079600000000, -0.0001971900000000, -0.0004284200000000 ] - [ -0.0006229100000000, 0.0006033900000000, 0.0003752900000000 ] - [ 0.0003731100000000, 0.0014772900000000, -0.0007963700000000 ] - [ -0.0002467900000000, 0.0001626200000000, 0.0001361700000000 ] - [ 0.0003765500000000, -0.0009113400000000, -0.0008656300000000 ] - [ -0.0001859400000000, -0.0000791500000000, -0.0001280200000000 ] - [ -0.0010067700000000, -0.0001991300000000, 0.0003067800000000 ] - [ -0.0002404200000000, 0.0001136400000000, -0.0000156900000000 ] - [ 0.0001169500000000, 0.0000845200000000, 0.0001177300000000 ] - [ -0.0002782800000000, -0.0001055900000000, 0.0000188600000000 ] - [ 0.0001255500000000, -0.0001727800000000, -0.0000835100000000 ] - [ 0.0000091900000000, 0.0001411000000000, 0.0000968500000000 ] - [ -0.0001073400000000, -0.0000020900000000, 0.0003595300000000 ] - [ 0.0002188000000000, -0.0000078300000000, -0.0000906700000000 ] - [ 0.0002046800000000, -0.0021303300000000, -0.0001059800000000 ] - [ -0.0002459200000000, -0.0010456300000000, 0.0012928000000000 ] - [ -0.0000343700000000, 0.0001054300000000, 0.0000037400000000 ] - [ 0.0000905800000000, -0.0000889500000000, 0.0000083900000000 ] - [ 0.0011953400000000, 0.0005484100000000, 0.0006207800000000 ] - [ 0.0001350600000000, 0.0000279600000000, -0.0001243600000000 ] - [ -0.0003373200000000, -0.0001062900000000, 0.0001444400000000 ] - [ 0.0000775300000000, 0.0001860700000000, -0.0000719300000000 ] - [ -0.0009516300000000, 0.0001282000000000, -0.0000977400000000 ] - [ -0.0012986200000000, -0.0006018400000000, 0.0014301700000000 ] - [ 0.0000757500000000, 0.0001741100000000, 0.0000011000000000 ] - [ 0.0016919400000000, 0.0020211800000000, 0.0002668300000000 ] - [ 0.0000323700000000, -0.0001763500000000, -0.0000296100000000 ] - [ -0.0005480000000000, 0.0002304200000000, -0.0015375900000000 ] - [ -0.0026321800000000, 0.0008945800000000, 0.0010418500000000 ] - [ 0.0000842100000000, 0.0000661600000000, 0.0001960800000000 ] - [ 0.0002056000000000, 0.0002973000000000, 0.0000826800000000 ] - [ -0.0002306900000000, -0.0000850400000000, 0.0001233800000000 ] - [ -0.0003016500000000, 0.0001050200000000, 0.0001177300000000 ] - [ 0.0001628500000000, 0.0021342200000000, 0.0008361800000000 ] - [ -0.0001825100000000, 0.0002248000000000, 0.0003342400000000 ] - [ -0.0017290100000000, -0.0001644500000000, 0.0000413200000000 ] - [ -0.0004311900000000, 0.0018535900000000, -0.0010557700000000 ] - [ 0.0026135700000000, 0.0031870200000000, -0.0044591900000000 ] - [ 0.0006558300000000, -0.0001613700000000, -0.0001310200000000 ] - [ 0.0005911800000000, 0.0002046600000000, -0.0001302200000000 ] - [ -0.0004170600000000, -0.0013543500000000, 0.0006133400000000 ] - [ 0.0005939100000000, -0.0003566900000000, -0.0001799300000000 ] - [ -0.0103223900000000, 0.0024960000000000, -0.0032992900000000 ] - [ 0.0003703900000000, -0.0007807500000000, 0.0013594700000000 ] - [ -0.0018473500000000, -0.0054648900000000, -0.0023787200000000 ] - [ 0.0006397200000000, 0.0002725600000000, 0.0001582200000000 ] - [ -0.0001185600000000, -0.0000405500000000, -0.0002700100000000 ] - [ 0.0007666800000000, 0.0004844600000000, -0.0003865500000000 ] - [ -0.0009417800000000, -0.0007524800000000, 0.0000581800000000 ] - [ -0.0025909800000000, -0.0018783900000000, 0.0005489100000000 ] - [ -0.0004308700000000, -0.0000549400000000, 0.0002025000000000 ] - [ -0.0002235000000000, -0.0001998000000000, 0.0006112100000000 ] - [ 0.0001082200000000, 0.0000873800000000, 0.0003114000000000 ] - [ -0.0006896300000000, -0.0006125400000000, 0.0005285300000000 ] - [ -0.0049022000000000, 0.0005401900000000, 0.0001308400000000 ] - [ -0.0004141700000000, 0.0002249900000000, -0.0002261800000000 ] - [ -0.0000502800000000, -0.0002147900000000, -0.0000196500000000 ] - [ -0.0006784100000000, -0.0001468300000000, -0.0000843200000000 ] - [ 0.0003429400000000, -0.0012548100000000, 0.0032920000000000 ] - [ -0.0000796500000000, -0.0009341500000000, 0.0000066100000000 ] - [ 0.0004358700000000, -0.0002691200000000, 0.0004415400000000 ] - [ 0.0001640500000000, 0.0000507000000000, -0.0006028500000000 ] - [ -0.0005801900000000, -0.0000459900000000, -0.0001080500000000 ] - [ -0.0001612600000000, -0.0002920900000000, 0.0000311500000000 ] - [ 0.0005977300000000, 0.0005154700000000, -0.0001733100000000 ] - [ 0.0005970200000000, 0.0002525100000000, -0.0007977400000000 ] - [ 0.0000185600000000, 0.0001749700000000, 0.0000181900000000 ] - [ 0.0006798500000000, -0.0001773900000000, -0.0004641300000000 ] - [ 0.0001126100000000, 0.0001017600000000, -0.0003092400000000 ] - [ -0.0006168000000000, -0.0000365500000000, -0.0006269100000000 ] - [ -0.0000143000000000, -0.0000597400000000, -0.0000519400000000 ] - [ 0.0000505100000000, -0.0000284600000000, -0.0000975700000000 ] - [ 0.0004541900000000, 0.0000094700000000, -0.0002068200000000 ] - [ -0.0002137600000000, -0.0004019400000000, 0.0000261700000000 ] - [ 0.0004016300000000, 0.0004610200000000, -0.0000418300000000 ] - [ -0.0022848600000000, -0.0001965000000000, 0.0004982200000000 ] - [ 0.0003484200000000, 0.0001175400000000, -0.0000479800000000 ] - [ -0.0003810400000000, -0.0001463900000000, -0.0001106800000000 ] - [ -0.0003983600000000, 0.0000835800000000, -0.0002690700000000 ] - [ 0.0003523100000000, 0.0003308800000000, 0.0000510700000000 ] - [ -0.0000970900000000, 0.0015540100000000, -0.0004186000000000 ] - [ 0.0000667000000000, 0.0002768500000000, -0.0004795200000000 ] - [ -0.0020932600000000, 0.0011929600000000, 0.0005252400000000 ] - [ -0.0000752100000000, 0.0001531700000000, 0.0000438800000000 ] - [ -0.0003303400000000, -0.0001208600000000, 0.0000082000000000 ] - [ 0.0002806200000000, 0.0001002000000000, -0.0000481800000000 ] - [ 0.0005722800000000, -0.0001347900000000, -0.0001134600000000 ] - [ -0.0003209700000000, -0.0001974400000000, 0.0000433500000000 ] - [ 0.0002864600000000, -0.0002610600000000, -0.0001288400000000 ] - [ 0.0029249300000000, 0.0018180300000000, 0.0002263500000000 ] - [ 0.0002245600000000, 0.0000161900000000, 0.0005262400000000 ] - [ 0.0011938300000000, 0.0002388200000000, -0.0005291900000000 ] - [ 0.0006695800000000, 0.0000568500000000, 0.0000333400000000 ] - [ 0.0004367500000000, 0.0004113400000000, 0.0001674300000000 ] - [ 0.0003871100000000, 0.0002992500000000, 0.0000693900000000 ] - [ 0.0002918000000000, -0.0000200700000000, 0.0000632500000000 ] - [ -0.0001612200000000, 0.0001673000000000, 0.0000848000000000 ] - [ -0.0000354000000000, -0.0001603800000000, 0.0003457800000000 ] - [ 0.0002010400000000, -0.0002856100000000, -0.0000938400000000 ] - [ 0.0016942000000000, -0.0015962200000000, 0.0011056300000000 ] - [ 0.0002918700000000, -0.0002719700000000, 0.0001676200000000 ] - [ -0.0003128300000000, 0.0003743500000000, -0.0000541900000000 ] - [ 0.0001361900000000, -0.0001164600000000, -0.0000093300000000 ] - [ 0.0001574100000000, -0.0005200000000000, -0.0004482700000000 ] - [ 0.0001275500000000, -0.0000296700000000, -0.0001170700000000 ] - [ -0.0001217400000000, 0.0002896800000000, -0.0001741600000000 ] - [ 0.0000652200000000, -0.0000052800000000, -0.0001204000000000 ] - [ 0.0011870300000000, 0.0003285600000000, 0.0003698200000000 ] - [ -0.0000473700000000, 0.0002024000000000, -0.0002201200000000 ] - [ 0.0026811800000000, 0.0026608600000000, 0.0006171000000000 ] - [ 0.0013131100000000, -0.0004612300000000, 0.0005718800000000 ] - [ 0.0001833800000000, 0.0000507200000000, -0.0003532400000000 ] - [ -0.0002729500000000, 0.0000130500000000, 0.0002076500000000 ] - [ -0.0001545700000000, -0.0010147100000000, 0.0008733200000000 ] - [ 0.0000533600000000, -0.0000685400000000, 0.0001672700000000 ] - [ -0.0006536100000000, -0.0000442900000000, 0.0013026900000000 ] - [ -0.0007948700000000, 0.0006886800000000, 0.0000757000000000 ] - [ -0.0032404000000000, -0.0001266200000000, -0.0003737000000000 ] - [ 0.0010106900000000, 0.0013022900000000, 0.0005793300000000 ] - [ -0.0025358300000000, -0.0000653900000000, 0.0002356000000000 ] - [ -0.0007248700000000, -0.0006198900000000, -0.0002100100000000 ] - [ -0.0000436200000000, -0.0001824300000000, 0.0001687000000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000927000000000, -0.0000026800000000, -0.0000868200000000 ] - [ -0.0000436500000000, 0.0000616400000000, 0.0001564500000000 ] - [ 0.0054373200000000, -0.0356704800000000, -0.0064955300000000 ] - [ 0.0000400400000000, -0.0009121300000000, 0.0002398500000000 ] - [ -0.0000909300000000, 0.0001902000000000, 0.0000591900000000 ] - [ -0.0000181100000000, 0.0003660500000000, 0.0000190000000000 ] - [ -0.0001065300000000, 0.0007029800000000, -0.0005326100000000 ] - [ 0.0001724300000000, 0.0000618400000000, -0.0000583300000000 ] - [ -0.0001777600000000, -0.0002023800000000, -0.0000317800000000 ] - [ 0.0001402400000000, -0.0000060100000000, -0.0001434900000000 ] - [ 0.0001665600000000, 0.0001582400000000, 0.0004255500000000 ] - [ -0.0005315300000000, 0.0002603700000000, 0.0003122300000000 ] - [ -0.0016211300000000, 0.0023427400000000, -0.0017329000000000 ] - [ -0.0003576700000000, 0.0001967000000000, 0.0001024500000000 ] - [ 0.0011461500000000, -0.0003786700000000, 0.0010815500000000 ] - [ 0.0001749300000000, 0.0001087900000000, 0.0000449500000000 ] - [ 0.0000851900000000, -0.0001206800000000, -0.0000593500000000 ] - [ -0.0000238700000000, -0.0001059800000000, -0.0000025100000000 ] - [ 0.0000354600000000, 0.0005723100000000, -0.0000031000000000 ] - [ -0.0000153500000000, 0.0002556700000000, -0.0000337800000000 ] - [ -0.0000099000000000, 0.0006485800000000, 0.0000213800000000 ] - [ -0.0000143400000000, 0.0005047800000000, 0.0001058500000000 ] - [ -0.0001269500000000, -0.0002932200000000, 0.0003654400000000 ] - [ 0.0002551100000000, 0.0006789400000000, -0.0003189400000000 ] - [ 0.0029821300000000, 0.0034685500000000, -0.0005851900000000 ] - [ 0.0013548400000000, 0.0005718100000000, -0.0014030800000000 ] - [ -0.0000176500000000, 0.0000294700000000, 0.0000394100000000 ] - [ 0.0000012900000000, 0.0002218900000000, 0.0000539000000000 ] - [ -0.0007764700000000, -0.0008882500000000, 0.0020269900000000 ] - [ -0.0000718900000000, -0.0000743700000000, -0.0001579100000000 ] - [ -0.0001522200000000, 0.0000981000000000, 0.0000610300000000 ] - [ 0.0001624600000000, 0.0004417800000000, -0.0000184700000000 ] - [ 0.0000443200000000, -0.0002739700000000, 0.0003242500000000 ] - [ 0.0005698900000000, -0.0010445700000000, 0.0000464300000000 ] - [ 0.0000858100000000, 0.0010445700000000, -0.0000184200000000 ] - [ -0.0023088500000000, 0.0075824300000000, 0.0008248200000000 ] - [ 0.0000866200000000, -0.0004648500000000, -0.0000973600000000 ] - [ -0.0001343600000000, -0.0010847900000000, -0.0002688500000000 ] - [ -0.0009788400000000, -0.0011544700000000, 0.0000877000000000 ] - [ -0.0000825400000000, 0.0001828600000000, 0.0003676000000000 ] - [ -0.0002183700000000, -0.0004621000000000, 0.0003468500000000 ] - [ -0.0004128300000000, -0.0003954900000000, 0.0002097700000000 ] - [ 0.0001511100000000, 0.0003373100000000, 0.0003374900000000 ] - [ -0.0027047100000000, 0.0063376200000000, 0.0042711300000000 ] - [ -0.0000396300000000, 0.0006401500000000, 0.0003908900000000 ] - [ -0.0008593600000000, -0.0005254900000000, -0.0002088800000000 ] - [ -0.0007772400000000, 0.0005531700000000, -0.0006110600000000 ] - [ -0.0031248300000000, -0.0011969500000000, -0.0031104900000000 ] - [ -0.0004276400000000, -0.0006956800000000, -0.0007481300000000 ] - [ 0.0004620600000000, 0.0016513000000000, 0.0002249300000000 ] - [ 0.0003843900000000, 0.0022552300000000, -0.0003259700000000 ] - [ -0.0004169200000000, 0.0002354700000000, -0.0010227900000000 ] - [ -0.0033003500000000, -0.0020501300000000, -0.0021740500000000 ] - [ -0.0000658000000000, 0.0011405900000000, -0.0036149800000000 ] - [ 0.0046357500000000, 0.0026180200000000, 0.0010283300000000 ] - [ -0.0000953200000000, 0.0004052400000000, 0.0005811000000000 ] - [ -0.0002510100000000, 0.0001677200000000, -0.0001179600000000 ] - [ -0.0001364800000000, 0.0029489900000000, -0.0003645900000000 ] - [ 0.0007180800000000, 0.0009905700000000, 0.0004239400000000 ] - [ -0.0001911900000000, -0.0015004500000000, 0.0006018200000000 ] - [ -0.0003249900000000, 0.0002802000000000, 0.0001558900000000 ] - [ 0.0002413200000000, -0.0004827100000000, 0.0000074400000000 ] - [ 0.0000790700000000, 0.0001862200000000, -0.0001103600000000 ] - [ 0.0005025400000000, 0.0000064700000000, 0.0002876000000000 ] - [ -0.0002035100000000, 0.0025951600000000, 0.0001743100000000 ] - [ -0.0002815100000000, -0.0000898300000000, 0.0002144800000000 ] - [ 0.0003096900000000, -0.0000427400000000, -0.0001209500000000 ] - [ -0.0000598400000000, -0.0015498100000000, -0.0001089600000000 ] - [ 0.0009252200000000, 0.0019596600000000, 0.0006735900000000 ] - [ 0.0006912000000000, -0.0009366000000000, 0.0003017700000000 ] - [ 0.0002615100000000, -0.0001450100000000, 0.0004633100000000 ] - [ -0.0001819900000000, 0.0001281100000000, -0.0000222400000000 ] - [ -0.0000969200000000, -0.0003391000000000, -0.0004281300000000 ] - [ 0.0003017300000000, -0.0009814000000000, -0.0004632400000000 ] - [ -0.0007378200000000, 0.0001752100000000, -0.0000989400000000 ] - [ 0.0000216100000000, 0.0005920700000000, -0.0001974300000000 ] - [ -0.0001778600000000, -0.0001006400000000, -0.0000722900000000 ] - [ -0.0000077000000000, 0.0000579200000000, -0.0002219900000000 ] - [ 0.0000157900000000, -0.0002109000000000, -0.0002344000000000 ] - [ 0.0005170200000000, 0.0006232100000000, 0.0012087000000000 ] - [ 0.0002495700000000, -0.0003366100000000, -0.0002949500000000 ] - [ 0.0001060700000000, 0.0002968300000000, -0.0000028600000000 ] - [ -0.0003019800000000, -0.0005589600000000, 0.0000798800000000 ] - [ 0.0003642300000000, -0.0023056000000000, 0.0000320500000000 ] - [ -0.0001514400000000, -0.0006296000000000, 0.0004347500000000 ] - [ -0.0003353100000000, 0.0022212800000000, 0.0007375600000000 ] - [ -0.0000606200000000, -0.0005791000000000, -0.0005347900000000 ] - [ -0.0001182900000000, -0.0010041700000000, -0.0000146900000000 ] - [ -0.0000772700000000, 0.0003154500000000, -0.0000794500000000 ] - [ -0.0002133900000000, -0.0007306500000000, -0.0001168600000000 ] - [ -0.0012745000000000, -0.0018949100000000, 0.0004627500000000 ] - [ -0.0005370700000000, -0.0003573900000000, 0.0008889200000000 ] - [ -0.0018055700000000, 0.0118435900000000, 0.0050650700000000 ] - [ 0.0000062900000000, 0.0004121300000000, 0.0000543400000000 ] - [ 0.0000842300000000, 0.0000469700000000, 0.0002388400000000 ] - [ -0.0001144700000000, 0.0001766700000000, 0.0001220600000000 ] - [ 0.0000981600000000, 0.0002613600000000, -0.0000105600000000 ] - [ 0.0004334900000000, 0.0006030600000000, 0.0000860800000000 ] - [ -0.0000396000000000, 0.0000533200000000, -0.0000523000000000 ] - [ 0.0010760400000000, 0.0017162600000000, 0.0001342400000000 ] - [ 0.0000994000000000, 0.0002653400000000, 0.0000544700000000 ] - [ 0.0002416300000000, 0.0005240600000000, -0.0001304200000000 ] - [ -0.0002573900000000, -0.0003102000000000, 0.0000344100000000 ] - [ -0.0000146600000000, -0.0000876000000000, 0.0000424100000000 ] - [ -0.0001393100000000, 0.0001732700000000, -0.0003054100000000 ] - [ 0.0003414500000000, -0.0002011800000000, 0.0000389500000000 ] - [ -0.0002246400000000, -0.0007013400000000, -0.0004255400000000 ] - [ 0.0004368900000000, -0.0005785600000000, 0.0005052800000000 ] - [ 0.0001572300000000, -0.0002811800000000, -0.0001381200000000 ] - [ 0.0005692700000000, 0.0000657200000000, 0.0004700000000000 ] - [ 0.0000389400000000, -0.0001552400000000, 0.0000749000000000 ] - [ 0.0008255400000000, -0.0018300100000000, 0.0002275400000000 ] - [ 0.0002383700000000, -0.0003723700000000, -0.0000686200000000 ] - [ 0.0021188100000000, -0.0003731700000000, -0.0018156400000000 ] - [ 0.0000710000000000, -0.0002422100000000, -0.0001010900000000 ] - [ 0.0000226500000000, -0.0001716700000000, 0.0001151300000000 ] - [ 0.0001408300000000, -0.0001265500000000, -0.0001829500000000 ] - [ 0.0001652500000000, 0.0004427200000000, 0.0001010500000000 ] - [ 0.0000344900000000, 0.0005140600000000, -0.0003020500000000 ] - [ -0.0022982100000000, 0.0009111800000000, 0.0005488200000000 ] - [ 0.0012095500000000, 0.0002326000000000, 0.0004542200000000 ] - [ -0.0000893400000000, -0.0001711800000000, -0.0003706700000000 ] - [ -0.0001878700000000, -0.0006552800000000, -0.0001598500000000 ] - [ 0.0008778600000000, -0.0002560200000000, 0.0006740800000000 ] - [ -0.0000807400000000, -0.0002968900000000, 0.0001476700000000 ] - [ 0.0006259700000000, 0.0011973200000000, 0.0013889500000000 ] - [ 0.0002526800000000, -0.0006891600000000, 0.0013883600000000 ] - [ 0.0000666900000000, 0.0021739700000000, 0.0005726800000000 ] - [ -0.0011689800000000, -0.0009761100000000, -0.0008477600000000 ] - [ -0.0007487900000000, 0.0015891900000000, -0.0005943100000000 ] - [ -0.0008296800000000, -0.0019764200000000, -0.0010228900000000 ] - [ -0.0001952500000000, -0.0004414300000000, 0.0001531600000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001052500000000, 0.0000516100000000, 0.0002021800000000 ] - [ -0.0001044900000000, 0.0000326600000000, 0.0000068000000000 ] - [ -0.0053947400000000, 0.0354265600000000, 0.0062486700000000 ] - [ -0.0002306800000000, 0.0011244000000000, -0.0002693800000000 ] - [ -0.0001015900000000, -0.0004058300000000, -0.0000320200000000 ] - [ 0.0000512100000000, -0.0001519800000000, -0.0000293800000000 ] - [ -0.0001692200000000, -0.0008639400000000, 0.0002299700000000 ] - [ -0.0000241200000000, -0.0001562000000000, -0.0001036200000000 ] - [ -0.0000167800000000, 0.0004178900000000, 0.0000577800000000 ] - [ -0.0001545400000000, -0.0000437600000000, 0.0000270600000000 ] - [ -0.0001529400000000, -0.0002047700000000, -0.0005398100000000 ] - [ 0.0005457700000000, -0.0003046800000000, -0.0001957400000000 ] - [ 0.0015903800000000, -0.0023718900000000, 0.0018277700000000 ] - [ 0.0005029400000000, -0.0002901100000000, 0.0000608200000000 ] - [ -0.0008646600000000, 0.0002086400000000, -0.0013817300000000 ] - [ -0.0001872400000000, -0.0000610900000000, -0.0001602400000000 ] - [ -0.0002343200000000, 0.0000280700000000, 0.0002217600000000 ] - [ -0.0000098100000000, 0.0003185300000000, -0.0000073400000000 ] - [ 0.0001567600000000, -0.0003541200000000, 0.0000315500000000 ] - [ -0.0000180300000000, -0.0004675200000000, 0.0000234700000000 ] - [ -0.0001839900000000, -0.0008636200000000, -0.0000513100000000 ] - [ 0.0002891700000000, -0.0003397200000000, 0.0001985800000000 ] - [ 0.0004020000000000, 0.0001278900000000, -0.0000593500000000 ] - [ 0.0000215300000000, -0.0005153400000000, 0.0000115800000000 ] - [ -0.0027980400000000, -0.0033435400000000, 0.0004135000000000 ] - [ -0.0013462900000000, -0.0005209400000000, 0.0012924900000000 ] - [ 0.0001653700000000, 0.0000633000000000, 0.0001235600000000 ] - [ -0.0000346100000000, -0.0004340800000000, -0.0000433200000000 ] - [ 0.0004974000000000, 0.0010673100000000, -0.0023206100000000 ] - [ -0.0000759100000000, -0.0000182600000000, -0.0000053600000000 ] - [ -0.0001244800000000, -0.0002609900000000, 0.0002442500000000 ] - [ 0.0000308000000000, -0.0002237600000000, -0.0000082500000000 ] - [ -0.0003208400000000, 0.0004375000000000, -0.0000185500000000 ] - [ -0.0003841000000000, 0.0008230500000000, -0.0000680900000000 ] - [ -0.0000503200000000, -0.0008293400000000, 0.0000290200000000 ] - [ 0.0022065900000000, -0.0076281800000000, -0.0010056800000000 ] - [ -0.0000536800000000, 0.0002504500000000, 0.0001082600000000 ] - [ 0.0003331800000000, 0.0008625600000000, 0.0003008000000000 ] - [ 0.0010136700000000, 0.0009327400000000, -0.0001000100000000 ] - [ 0.0000693700000000, -0.0001344800000000, -0.0002493700000000 ] - [ 0.0001213700000000, 0.0008962100000000, 0.0002899900000000 ] - [ 0.0003113800000000, -0.0000825400000000, -0.0006069900000000 ] - [ -0.0000502900000000, 0.0001428900000000, 0.0000619100000000 ] - [ 0.0027842900000000, -0.0057962900000000, -0.0046226700000000 ] - [ 0.0001369800000000, -0.0002052600000000, 0.0002448000000000 ] - [ 0.0005463600000000, 0.0005841200000000, 0.0004862200000000 ] - [ 0.0006791600000000, -0.0000570300000000, 0.0002137300000000 ] - [ 0.0034319500000000, 0.0011477200000000, 0.0028204700000000 ] - [ 0.0005276700000000, 0.0002574600000000, 0.0001147700000000 ] - [ -0.0007692700000000, -0.0017119400000000, -0.0004992200000000 ] - [ -0.0004902900000000, -0.0026893400000000, 0.0009640400000000 ] - [ 0.0005212600000000, -0.0007202800000000, 0.0006200100000000 ] - [ 0.0031645900000000, 0.0024946500000000, 0.0015171800000000 ] - [ -0.0002347300000000, -0.0010853400000000, 0.0033370000000000 ] - [ -0.0047567600000000, -0.0030891600000000, -0.0006642200000000 ] - [ 0.0004052400000000, -0.0003343200000000, -0.0008661000000000 ] - [ 0.0001532100000000, -0.0005986700000000, -0.0005186100000000 ] - [ 0.0002318800000000, -0.0025073100000000, -0.0002663500000000 ] - [ -0.0004098900000000, -0.0009190000000000, -0.0001455900000000 ] - [ 0.0002832800000000, 0.0010523500000000, 0.0000369600000000 ] - [ 0.0000150100000000, -0.0003438700000000, 0.0001237600000000 ] - [ 0.0000669100000000, 0.0004194000000000, 0.0002712300000000 ] - [ -0.0001787800000000, 0.0002969800000000, 0.0005091100000000 ] - [ -0.0003985400000000, -0.0004905000000000, 0.0001115900000000 ] - [ 0.0004827200000000, -0.0027852500000000, -0.0004905900000000 ] - [ -0.0000151600000000, 0.0003640400000000, -0.0004332500000000 ] - [ -0.0001949400000000, 0.0001205600000000, 0.0007536900000000 ] - [ -0.0001457500000000, 0.0013752000000000, -0.0002027600000000 ] - [ -0.0008785000000000, -0.0020103900000000, -0.0005765700000000 ] - [ -0.0008550500000000, 0.0004000600000000, -0.0005712200000000 ] - [ -0.0005571600000000, 0.0004162100000000, -0.0002446500000000 ] - [ 0.0002979800000000, -0.0002110900000000, -0.0006121100000000 ] - [ -0.0002061800000000, 0.0002900900000000, 0.0002487200000000 ] - [ -0.0001957000000000, 0.0007615800000000, 0.0009573000000000 ] - [ 0.0005533200000000, -0.0003938500000000, 0.0000868100000000 ] - [ 0.0000873100000000, -0.0003728500000000, -0.0002871000000000 ] - [ -0.0000023600000000, 0.0003251600000000, 0.0000613200000000 ] - [ -0.0001078400000000, 0.0000270700000000, -0.0004106000000000 ] - [ -0.0001237600000000, 0.0004294200000000, -0.0002520100000000 ] - [ -0.0005597300000000, -0.0005768000000000, -0.0011306500000000 ] - [ -0.0002091400000000, 0.0003793100000000, 0.0003783800000000 ] - [ -0.0000657800000000, -0.0003407000000000, -0.0000802800000000 ] - [ 0.0005944300000000, 0.0002829800000000, -0.0002961500000000 ] - [ -0.0005444600000000, 0.0025253200000000, -0.0000247000000000 ] - [ 0.0003619300000000, 0.0007952800000000, -0.0001283000000000 ] - [ 0.0002525300000000, -0.0023810100000000, -0.0003278700000000 ] - [ 0.0001685600000000, 0.0003558000000000, 0.0000458300000000 ] - [ 0.0000767200000000, 0.0009598600000000, 0.0000940800000000 ] - [ -0.0001310500000000, -0.0001457800000000, -0.0002310500000000 ] - [ 0.0002578100000000, 0.0007731400000000, 0.0000376400000000 ] - [ 0.0014657100000000, 0.0016700200000000, -0.0004679100000000 ] - [ 0.0008436900000000, 0.0003178200000000, -0.0010754700000000 ] - [ 0.0018318300000000, -0.0117857900000000, -0.0049993900000000 ] - [ 0.0001735200000000, -0.0001886500000000, -0.0000661100000000 ] - [ -0.0002636800000000, -0.0002680000000000, -0.0002275400000000 ] - [ -0.0001885200000000, -0.0001313300000000, 0.0000583400000000 ] - [ -0.0002058400000000, -0.0004783100000000, -0.0004746800000000 ] - [ -0.0004336300000000, -0.0006021700000000, -0.0000873700000000 ] - [ -0.0002564500000000, -0.0003307000000000, 0.0002688600000000 ] - [ -0.0010637900000000, -0.0017028700000000, -0.0001327000000000 ] - [ 0.0001062400000000, -0.0004333000000000, 0.0002550500000000 ] - [ -0.0002790700000000, -0.0004742600000000, 0.0000473200000000 ] - [ -0.0000450600000000, 0.0002619300000000, 0.0001459600000000 ] - [ 0.0001714100000000, 0.0006201400000000, 0.0002224900000000 ] - [ 0.0004350000000000, 0.0001035300000000, 0.0000860400000000 ] - [ -0.0000374500000000, 0.0002463900000000, 0.0001413000000000 ] - [ 0.0005262000000000, 0.0007441100000000, 0.0002414600000000 ] - [ -0.0001423600000000, 0.0003035500000000, -0.0002816400000000 ] - [ 0.0000220800000000, 0.0000543400000000, 0.0001484000000000 ] - [ -0.0003820800000000, 0.0001468400000000, -0.0004511400000000 ] - [ 0.0001174200000000, -0.0003753000000000, 0.0001886600000000 ] - [ -0.0008215500000000, 0.0018262900000000, -0.0002278900000000 ] - [ -0.0002373900000000, 0.0003710900000000, 0.0000686600000000 ] - [ -0.0018086000000000, 0.0006464200000000, 0.0020192000000000 ] - [ -0.0001116800000000, 0.0001957300000000, 0.0000192800000000 ] - [ 0.0001324300000000, 0.0007026900000000, -0.0003784100000000 ] - [ 0.0000667700000000, 0.0002922100000000, -0.0001262300000000 ] - [ -0.0003711500000000, -0.0002718500000000, 0.0002077300000000 ] - [ -0.0001902300000000, 0.0000174100000000, 0.0000364000000000 ] - [ 0.0021389400000000, -0.0003912300000000, -0.0002834600000000 ] - [ -0.0009004100000000, -0.0002741100000000, -0.0002719800000000 ] - [ -0.0000257600000000, 0.0000890000000000, -0.0002630800000000 ] - [ 0.0000797700000000, 0.0008744300000000, 0.0006460800000000 ] - [ -0.0007595800000000, 0.0001650200000000, -0.0000408400000000 ] - [ -0.0001262400000000, 0.0001295100000000, 0.0001619800000000 ] - [ -0.0005182100000000, -0.0009733500000000, -0.0008943800000000 ] - [ -0.0003747100000000, 0.0007792500000000, -0.0007533600000000 ] - [ -0.0003549800000000, -0.0021864200000000, -0.0006664700000000 ] - [ 0.0012767700000000, 0.0010499700000000, 0.0002153100000000 ] - [ 0.0003827200000000, -0.0019460700000000, 0.0003151900000000 ] - [ 0.0007124500000000, 0.0018907000000000, 0.0016556000000000 ] - [ 0.0000368000000000, -0.0000940000000000, 0.0001130900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001928200000000, -0.0000681400000000, 0.0005169000000000 ] - [ -0.0000677100000000, 0.0000729500000000, 0.0002688100000000 ] - [ 0.0006816300000000, -0.0062797300000000, -0.0206844400000000 ] - [ -0.0007796000000000, 0.0005376000000000, 0.0022779500000000 ] - [ -0.0001323900000000, -0.0000869100000000, 0.0000140600000000 ] - [ 0.0000570400000000, 0.0000825000000000, 0.0001682400000000 ] - [ -0.0001490600000000, -0.0007634400000000, 0.0000103100000000 ] - [ 0.0000360900000000, -0.0000878100000000, 0.0003589800000000 ] - [ 0.0002368600000000, 0.0001650500000000, 0.0001165800000000 ] - [ -0.0002625900000000, -0.0001757400000000, 0.0000923000000000 ] - [ 0.0002767800000000, 0.0002788300000000, 0.0004513700000000 ] - [ -0.0001851300000000, 0.0001554200000000, -0.0002446600000000 ] - [ 0.0006665200000000, -0.0012834600000000, -0.0008878100000000 ] - [ -0.0001436100000000, 0.0000513700000000, -0.0001354900000000 ] - [ 0.0011405900000000, 0.0011703400000000, 0.0011066200000000 ] - [ 0.0001020400000000, 0.0001083500000000, -0.0001652000000000 ] - [ -0.0000730700000000, -0.0001256300000000, -0.0001700800000000 ] - [ -0.0000267800000000, 0.0001042300000000, 0.0002777800000000 ] - [ -0.0000011100000000, 0.0001057700000000, 0.0000582100000000 ] - [ 0.0000073200000000, -0.0001351900000000, -0.0001642600000000 ] - [ -0.0000594200000000, 0.0000036000000000, -0.0001467900000000 ] - [ 0.0002180500000000, 0.0000242600000000, 0.0000658200000000 ] - [ -0.0001013700000000, 0.0000040800000000, 0.0004193000000000 ] - [ 0.0000154500000000, -0.0002351300000000, -0.0001927100000000 ] - [ 0.0001023300000000, -0.0004735200000000, -0.0017314600000000 ] - [ -0.0016476900000000, -0.0013135100000000, 0.0002929300000000 ] - [ 0.0001866800000000, -0.0000312100000000, 0.0003009300000000 ] - [ -0.0000200700000000, -0.0001555500000000, 0.0003399600000000 ] - [ -0.0015421100000000, 0.0024346100000000, 0.0040337700000000 ] - [ -0.0000319700000000, -0.0001506800000000, 0.0007360700000000 ] - [ -0.0001269800000000, -0.0001552600000000, 0.0002397800000000 ] - [ 0.0001742900000000, 0.0000619700000000, 0.0001159800000000 ] - [ -0.0000259500000000, 0.0001367400000000, 0.0000409900000000 ] - [ -0.0014716500000000, -0.0001048500000000, 0.0001886100000000 ] - [ 0.0000119000000000, 0.0000829600000000, -0.0002727200000000 ] - [ -0.0004693700000000, 0.0008694600000000, -0.0021433600000000 ] - [ -0.0000174000000000, -0.0000035400000000, 0.0008230100000000 ] - [ 0.0017663500000000, -0.0005020100000000, 0.0011851400000000 ] - [ -0.0010219100000000, -0.0000139300000000, -0.0007005900000000 ] - [ -0.0000258900000000, 0.0001362700000000, 0.0005374500000000 ] - [ 0.0000089400000000, 0.0004500400000000, 0.0016294400000000 ] - [ -0.0005570700000000, -0.0000090200000000, 0.0003467900000000 ] - [ 0.0002657700000000, 0.0004280300000000, 0.0007401900000000 ] - [ -0.0012163700000000, 0.0040275400000000, 0.0014338600000000 ] - [ 0.0000200700000000, 0.0002487300000000, 0.0007224200000000 ] - [ 0.0001458400000000, -0.0000325200000000, -0.0003207800000000 ] - [ 0.0010451700000000, -0.0007658600000000, -0.0012795800000000 ] - [ 0.0051243600000000, -0.0025882300000000, 0.0053769600000000 ] - [ 0.0006914500000000, -0.0005296600000000, 0.0020813300000000 ] - [ 0.0003018900000000, 0.0007848600000000, -0.0001010500000000 ] - [ 0.0000981500000000, 0.0001971300000000, -0.0005280100000000 ] - [ 0.0008425600000000, -0.0010133200000000, 0.0007597200000000 ] - [ 0.0029260400000000, -0.0013263200000000, -0.0060239700000000 ] - [ -0.0001739900000000, -0.0029257600000000, 0.0050835400000000 ] - [ 0.0034817300000000, 0.0020329500000000, -0.0024932000000000 ] - [ -0.0001401900000000, 0.0007695600000000, -0.0001094800000000 ] - [ -0.0000554200000000, -0.0001296600000000, 0.0003878400000000 ] - [ 0.0003097700000000, 0.0009227600000000, -0.0013575900000000 ] - [ 0.0004911800000000, 0.0006018200000000, -0.0000889500000000 ] - [ 0.0002111200000000, 0.0001125000000000, -0.0005902400000000 ] - [ -0.0002269200000000, 0.0000759700000000, 0.0003495400000000 ] - [ 0.0000490400000000, -0.0000399300000000, 0.0007845400000000 ] - [ -0.0002824500000000, 0.0002469300000000, 0.0010739700000000 ] - [ -0.0000305300000000, -0.0002816400000000, -0.0002934600000000 ] - [ -0.0002050200000000, 0.0002937600000000, 0.0033162000000000 ] - [ 0.0001192300000000, 0.0003317500000000, -0.0007031200000000 ] - [ 0.0005336000000000, -0.0004236500000000, 0.0000644300000000 ] - [ -0.0002041700000000, -0.0000597800000000, 0.0005264800000000 ] - [ -0.0030590000000000, 0.0007851300000000, 0.0013624200000000 ] - [ -0.0001066300000000, 0.0000911800000000, 0.0005432900000000 ] - [ -0.0005459800000000, 0.0004232800000000, 0.0001869100000000 ] - [ 0.0001567200000000, 0.0000444600000000, -0.0007860800000000 ] - [ -0.0000326600000000, -0.0006370000000000, -0.0004168500000000 ] - [ 0.0001462900000000, -0.0002838700000000, 0.0004786200000000 ] - [ -0.0000077300000000, -0.0002790100000000, 0.0004209700000000 ] - [ 0.0003414500000000, 0.0002364800000000, -0.0005358100000000 ] - [ -0.0000807100000000, -0.0000363800000000, -0.0003059800000000 ] - [ -0.0001966200000000, 0.0001828200000000, -0.0001042100000000 ] - [ -0.0000164900000000, 0.0001045400000000, -0.0003102400000000 ] - [ -0.0008340100000000, 0.0004427300000000, -0.0023794700000000 ] - [ 0.0002468000000000, -0.0001232700000000, -0.0003403000000000 ] - [ -0.0000787200000000, -0.0000225300000000, -0.0007434500000000 ] - [ 0.0003068600000000, -0.0000506500000000, 0.0001702700000000 ] - [ 0.0002225700000000, -0.0012688400000000, 0.0006060700000000 ] - [ 0.0001078200000000, 0.0002645400000000, 0.0006736200000000 ] - [ 0.0003952100000000, 0.0006625800000000, 0.0012710100000000 ] - [ -0.0000524600000000, -0.0002346900000000, -0.0002638500000000 ] - [ -0.0000055800000000, -0.0001977800000000, 0.0004030300000000 ] - [ -0.0000971200000000, -0.0000211500000000, -0.0015832300000000 ] - [ 0.0000645600000000, -0.0001762100000000, 0.0003396700000000 ] - [ -0.0001893400000000, -0.0010902400000000, 0.0012987200000000 ] - [ 0.0011847300000000, 0.0008508300000000, -0.0017761000000000 ] - [ -0.0006326700000000, 0.0042723600000000, 0.0042067800000000 ] - [ 0.0001879300000000, -0.0001068800000000, -0.0006371500000000 ] - [ -0.0003480700000000, 0.0000311300000000, -0.0006789900000000 ] - [ -0.0001071300000000, 0.0000685600000000, -0.0002519500000000 ] - [ -0.0003188500000000, 0.0000840200000000, -0.0001210200000000 ] - [ -0.0003146800000000, -0.0002769900000000, -0.0008497700000000 ] - [ 0.0000390000000000, -0.0003041000000000, -0.0000680900000000 ] - [ -0.0004435100000000, -0.0001769100000000, 0.0011399100000000 ] - [ -0.0000395900000000, -0.0002542500000000, -0.0006139400000000 ] - [ -0.0001937300000000, -0.0000401800000000, 0.0005580900000000 ] - [ -0.0003184800000000, -0.0001375800000000, 0.0003226600000000 ] - [ 0.0001714600000000, 0.0003225100000000, 0.0004459700000000 ] - [ -0.0002545800000000, -0.0000959400000000, -0.0006392600000000 ] - [ 0.0002018800000000, -0.0000507900000000, -0.0001326500000000 ] - [ -0.0000996000000000, -0.0002905600000000, 0.0001049800000000 ] - [ -0.0001815700000000, 0.0001285600000000, -0.0000112300000000 ] - [ 0.0001858600000000, -0.0003768700000000, -0.0003963800000000 ] - [ -0.0002778200000000, 0.0004716700000000, 0.0011846500000000 ] - [ -0.0000068200000000, -0.0002425100000000, -0.0002767500000000 ] - [ 0.0001208700000000, -0.0003972200000000, 0.0003620700000000 ] - [ 0.0000511000000000, -0.0000769200000000, -0.0002082600000000 ] - [ 0.0010787900000000, -0.0007539300000000, -0.0006105900000000 ] - [ 0.0000731900000000, -0.0000496400000000, -0.0002903000000000 ] - [ 0.0000485400000000, 0.0006243700000000, -0.0007340600000000 ] - [ 0.0000297800000000, 0.0001617400000000, -0.0006094700000000 ] - [ 0.0000531900000000, -0.0000314800000000, 0.0005141400000000 ] - [ 0.0002616300000000, 0.0001212500000000, -0.0008435400000000 ] - [ -0.0008734600000000, 0.0004800700000000, 0.0022609500000000 ] - [ -0.0002192100000000, 0.0001126400000000, 0.0005426400000000 ] - [ -0.0000587000000000, -0.0001205800000000, -0.0004617900000000 ] - [ -0.0001594100000000, 0.0000435800000000, -0.0000890300000000 ] - [ -0.0018836500000000, 0.0015796000000000, 0.0001915200000000 ] - [ -0.0001257100000000, -0.0000242400000000, -0.0000589100000000 ] - [ -0.0009029900000000, -0.0000361800000000, -0.0018048400000000 ] - [ -0.0011921800000000, 0.0017750400000000, -0.0008222900000000 ] - [ -0.0002831900000000, 0.0006529600000000, 0.0016017900000000 ] - [ -0.0009319300000000, -0.0006817400000000, -0.0001569000000000 ] - [ -0.0009575700000000, -0.0006152700000000, 0.0021239300000000 ] - [ -0.0003514200000000, -0.0011143900000000, -0.0002241000000000 ] - [ 0.0000396500000000, -0.0001819400000000, -0.0003639500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001787100000000, 0.0001156900000000, -0.0004016200000000 ] - [ -0.0000803200000000, 0.0000202200000000, -0.0001052100000000 ] - [ -0.0007611900000000, 0.0064569700000000, 0.0207071500000000 ] - [ 0.0005803900000000, -0.0003175500000000, -0.0022884300000000 ] - [ -0.0000602400000000, -0.0001298600000000, 0.0000142400000000 ] - [ -0.0000240300000000, 0.0001308300000000, -0.0001782700000000 ] - [ -0.0001270500000000, 0.0005986700000000, -0.0003162500000000 ] - [ 0.0001121100000000, -0.0000047000000000, -0.0005223800000000 ] - [ -0.0004289300000000, 0.0000517200000000, -0.0000908500000000 ] - [ 0.0002493700000000, 0.0001278000000000, -0.0002078400000000 ] - [ -0.0002650300000000, -0.0003285800000000, -0.0005657600000000 ] - [ 0.0001974400000000, -0.0002026600000000, 0.0003633000000000 ] - [ -0.0006785400000000, 0.0012308400000000, 0.0010163400000000 ] - [ 0.0002924700000000, -0.0001454300000000, 0.0002980200000000 ] - [ -0.0008576400000000, -0.0013244600000000, -0.0014082000000000 ] - [ -0.0001155400000000, -0.0000598900000000, 0.0000477400000000 ] - [ -0.0000743900000000, 0.0000325100000000, 0.0003315500000000 ] - [ -0.0000065700000000, 0.0001091200000000, -0.0002878800000000 ] - [ 0.0001940600000000, 0.0001108200000000, -0.0000321200000000 ] - [ -0.0000404200000000, -0.0000777400000000, 0.0001534700000000 ] - [ -0.0001335800000000, -0.0002200000000000, 0.0001213600000000 ] - [ 0.0000584200000000, 0.0001399400000000, 0.0002402700000000 ] - [ 0.0003774600000000, -0.0001673800000000, -0.0001153400000000 ] - [ 0.0002614500000000, 0.0003996500000000, -0.0001111100000000 ] - [ 0.0000361500000000, 0.0005529800000000, 0.0015733900000000 ] - [ 0.0016541600000000, 0.0013559000000000, -0.0004137400000000 ] - [ -0.0000392500000000, 0.0001254100000000, -0.0001377900000000 ] - [ -0.0000132300000000, -0.0000581500000000, -0.0003301500000000 ] - [ 0.0012828200000000, -0.0023027900000000, -0.0043896100000000 ] - [ -0.0001160700000000, 0.0000551700000000, -0.0009006400000000 ] - [ -0.0001497400000000, -0.0000090100000000, 0.0000646900000000 ] - [ 0.0000183100000000, 0.0001548400000000, -0.0001441600000000 ] - [ -0.0002499400000000, 0.0000263600000000, 0.0002664000000000 ] - [ 0.0016713600000000, -0.0001116500000000, -0.0002118300000000 ] - [ 0.0000205900000000, 0.0001303300000000, 0.0002833100000000 ] - [ 0.0003151500000000, -0.0007479400000000, 0.0019885400000000 ] - [ 0.0000519600000000, -0.0002088300000000, -0.0008129200000000 ] - [ -0.0015863100000000, 0.0002880200000000, -0.0011600200000000 ] - [ 0.0010611900000000, -0.0002014500000000, 0.0006831400000000 ] - [ 0.0000123000000000, -0.0000869300000000, -0.0004224900000000 ] - [ -0.0001098200000000, -0.0000185000000000, -0.0009955000000000 ] - [ 0.0004614400000000, -0.0004746200000000, -0.0007441200000000 ] - [ -0.0001639300000000, 0.0000546700000000, -0.0003411600000000 ] - [ 0.0013256200000000, -0.0035455300000000, -0.0018536800000000 ] - [ 0.0000789400000000, 0.0001858700000000, -0.0000873500000000 ] - [ -0.0004534700000000, 0.0000962300000000, 0.0006051800000000 ] - [ -0.0011440100000000, 0.0012472100000000, 0.0008745400000000 ] - [ -0.0047826000000000, 0.0024783300000000, -0.0056162800000000 ] - [ -0.0005984500000000, 0.0000996700000000, -0.0027210000000000 ] - [ -0.0006133000000000, -0.0008493300000000, -0.0001821400000000 ] - [ -0.0001926600000000, -0.0006284400000000, 0.0011616200000000 ] - [ -0.0007435100000000, 0.0005363200000000, -0.0011591700000000 ] - [ -0.0030464400000000, 0.0017617800000000, 0.0053532300000000 ] - [ -0.0001198000000000, 0.0030137700000000, -0.0053841000000000 ] - [ -0.0035757800000000, -0.0025041300000000, 0.0029034900000000 ] - [ 0.0004501400000000, -0.0007123000000000, -0.0001652500000000 ] - [ -0.0000431000000000, -0.0003054600000000, -0.0010242900000000 ] - [ -0.0002141800000000, -0.0004928100000000, 0.0007227400000000 ] - [ -0.0001805800000000, -0.0005356200000000, 0.0003716900000000 ] - [ -0.0001161200000000, -0.0005494300000000, 0.0012274700000000 ] - [ -0.0000813200000000, -0.0001378000000000, -0.0000718400000000 ] - [ 0.0002577400000000, -0.0000233200000000, -0.0005081000000000 ] - [ 0.0001818500000000, 0.0002319500000000, -0.0006762300000000 ] - [ 0.0001294600000000, -0.0002004400000000, 0.0006944500000000 ] - [ 0.0004179700000000, -0.0004633000000000, -0.0036221100000000 ] - [ -0.0004156700000000, -0.0000548200000000, 0.0004858900000000 ] - [ -0.0004201400000000, 0.0005080800000000, 0.0005648800000000 ] - [ -0.0000024700000000, -0.0001062600000000, -0.0008385800000000 ] - [ 0.0031053900000000, -0.0008352400000000, -0.0012400900000000 ] - [ -0.0000487600000000, -0.0006236000000000, -0.0008060300000000 ] - [ 0.0002505900000000, -0.0001486700000000, 0.0000340100000000 ] - [ -0.0000394700000000, -0.0001238200000000, 0.0001549900000000 ] - [ -0.0002705500000000, 0.0005961800000000, 0.0002347000000000 ] - [ -0.0000376400000000, 0.0000644700000000, 0.0000021300000000 ] - [ -0.0001718100000000, 0.0000556600000000, -0.0004319200000000 ] - [ -0.0002316700000000, -0.0000179200000000, 0.0000544300000000 ] - [ -0.0001006400000000, 0.0002604500000000, 0.0002958800000000 ] - [ 0.0000806900000000, -0.0001025800000000, -0.0005292700000000 ] - [ -0.0000922400000000, 0.0001145000000000, -0.0001732200000000 ] - [ 0.0007938000000000, -0.0004064800000000, 0.0024677300000000 ] - [ -0.0002064600000000, 0.0001675700000000, 0.0004217100000000 ] - [ 0.0001213200000000, -0.0000193500000000, 0.0006622500000000 ] - [ -0.0000095800000000, -0.0002242900000000, -0.0003905600000000 ] - [ -0.0004076100000000, 0.0015012400000000, -0.0005939900000000 ] - [ 0.0001001200000000, -0.0000970600000000, -0.0003640600000000 ] - [ -0.0004440600000000, -0.0007732900000000, -0.0009600300000000 ] - [ 0.0001602500000000, 0.0000127600000000, -0.0002263800000000 ] - [ -0.0000330400000000, 0.0001571200000000, -0.0003184100000000 ] - [ -0.0001110300000000, 0.0001852700000000, 0.0012748200000000 ] - [ -0.0000254900000000, 0.0002176900000000, -0.0004227400000000 ] - [ 0.0003682700000000, 0.0008630000000000, -0.0013086200000000 ] - [ -0.0008827200000000, -0.0008983700000000, 0.0015921200000000 ] - [ 0.0007659400000000, -0.0046686800000000, -0.0044425600000000 ] - [ -0.0000057600000000, 0.0003340300000000, 0.0006276500000000 ] - [ 0.0001704900000000, -0.0002597300000000, 0.0006886400000000 ] - [ -0.0001955600000000, -0.0000221900000000, 0.0004333800000000 ] - [ 0.0002120400000000, -0.0003051500000000, -0.0003675300000000 ] - [ 0.0003175400000000, 0.0002778700000000, 0.0008498300000000 ] - [ -0.0003378200000000, 0.0000286100000000, 0.0002838300000000 ] - [ 0.0004480400000000, 0.0001805400000000, -0.0011357700000000 ] - [ 0.0002476700000000, 0.0000883400000000, 0.0009248000000000 ] - [ 0.0001537800000000, 0.0000851800000000, -0.0006422400000000 ] - [ 0.0000155400000000, 0.0000906300000000, -0.0001430400000000 ] - [ -0.0000144200000000, 0.0002097700000000, -0.0001809800000000 ] - [ 0.0005489500000000, 0.0003703800000000, 0.0004206600000000 ] - [ 0.0001008900000000, 0.0000963900000000, 0.0003143900000000 ] - [ 0.0004036300000000, 0.0003358700000000, -0.0002837200000000 ] - [ 0.0004769600000000, -0.0004041900000000, 0.0002286100000000 ] - [ -0.0000057200000000, 0.0001537100000000, 0.0004069200000000 ] - [ 0.0004607100000000, -0.0002485800000000, -0.0011682900000000 ] - [ 0.0001627000000000, -0.0002894200000000, 0.0005415000000000 ] - [ -0.0001220100000000, 0.0003981200000000, -0.0003616900000000 ] - [ -0.0000511300000000, 0.0000773300000000, 0.0002085000000000 ] - [ -0.0007833900000000, 0.0010259300000000, 0.0008344300000000 ] - [ -0.0001143900000000, 0.0000051200000000, 0.0002093100000000 ] - [ 0.0001081500000000, -0.0000950100000000, 0.0004698800000000 ] - [ 0.0001776900000000, 0.0000062400000000, 0.0003010400000000 ] - [ -0.0002618100000000, 0.0001992200000000, -0.0002051800000000 ] - [ -0.0004227500000000, 0.0004130000000000, 0.0005792600000000 ] - [ 0.0007070000000000, 0.0000431700000000, -0.0020004700000000 ] - [ 0.0005188100000000, -0.0001588600000000, -0.0003658600000000 ] - [ -0.0000584000000000, 0.0000392800000000, -0.0001687500000000 ] - [ 0.0000518800000000, 0.0001782200000000, 0.0005799100000000 ] - [ 0.0019973900000000, -0.0016556900000000, 0.0004403600000000 ] - [ -0.0000819500000000, -0.0001432800000000, 0.0003676100000000 ] - [ 0.0010062500000000, 0.0002645300000000, 0.0022900700000000 ] - [ 0.0010776500000000, -0.0017005200000000, 0.0014543600000000 ] - [ 0.0000213400000000, -0.0007112700000000, -0.0015994400000000 ] - [ 0.0010431800000000, 0.0007579000000000, -0.0004786000000000 ] - [ 0.0006070500000000, 0.0002711200000000, -0.0024074300000000 ] - [ 0.0002372500000000, 0.0010373400000000, 0.0008635700000000 ] - [ -0.0001973400000000, -0.0003510900000000, 0.0006310300000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010165500000000, -0.0002053500000000, 0.0003328700000000 ] - [ 0.0002126400000000, 0.0002251700000000, -0.0001342600000000 ] - [ -0.0005218400000000, 0.0002430400000000, -0.0006727000000000 ] - [ -0.0206259700000000, -0.0006794300000000, -0.0007414600000000 ] - [ 0.0000294200000000, -0.0001219100000000, 0.0000081800000000 ] - [ -0.0000028500000000, 0.0001670300000000, -0.0001026000000000 ] - [ -0.0004602900000000, -0.0006849300000000, -0.0001128100000000 ] - [ 0.0001517900000000, 0.0003897900000000, 0.0001256400000000 ] - [ 0.0012735200000000, -0.0000034200000000, 0.0000460600000000 ] - [ 0.0002120000000000, 0.0000090300000000, -0.0000357800000000 ] - [ -0.0002351900000000, 0.0001130400000000, -0.0002402200000000 ] - [ 0.0001949600000000, -0.0000926400000000, -0.0000359300000000 ] - [ -0.0002242200000000, -0.0000428500000000, 0.0001434900000000 ] - [ 0.0003472300000000, -0.0003252500000000, 0.0003287500000000 ] - [ 0.0034358800000000, 0.0034459400000000, -0.0015646300000000 ] - [ 0.0004493900000000, 0.0000881900000000, -0.0001160200000000 ] - [ 0.0003694300000000, 0.0002690400000000, 0.0004103600000000 ] - [ 0.0005711500000000, 0.0000261000000000, -0.0003367800000000 ] - [ -0.0000815200000000, 0.0001002500000000, 0.0000436400000000 ] - [ 0.0001634000000000, -0.0001122100000000, 0.0000307100000000 ] - [ -0.0002293400000000, -0.0001091400000000, -0.0000071800000000 ] - [ 0.0001380700000000, 0.0000557400000000, 0.0001739800000000 ] - [ 0.0033155800000000, -0.0025735000000000, -0.0002985800000000 ] - [ 0.0001446800000000, 0.0001060000000000, -0.0001217300000000 ] - [ 0.0000662700000000, 0.0001962200000000, -0.0002891500000000 ] - [ -0.0009318800000000, 0.0020786500000000, 0.0015562600000000 ] - [ 0.0001320300000000, -0.0001507300000000, -0.0001723400000000 ] - [ -0.0002387400000000, -0.0001944400000000, 0.0000421200000000 ] - [ -0.0003505300000000, 0.0000490000000000, -0.0000729200000000 ] - [ -0.0002214400000000, -0.0017575200000000, 0.0013874800000000 ] - [ 0.0002112400000000, 0.0002185700000000, 0.0002446500000000 ] - [ 0.0002884000000000, 0.0000503700000000, 0.0000134100000000 ] - [ 0.0000624900000000, 0.0001181300000000, 0.0001437800000000 ] - [ 0.0002642200000000, -0.0000530900000000, -0.0000450000000000 ] - [ 0.0000344200000000, 0.0000405900000000, -0.0000729300000000 ] - [ -0.0002528600000000, -0.0001631300000000, -0.0003766400000000 ] - [ 0.0014201800000000, 0.0003730200000000, 0.0015840600000000 ] - [ -0.0000777200000000, -0.0002118600000000, -0.0001658200000000 ] - [ 0.0006634300000000, -0.0003388300000000, 0.0016667500000000 ] - [ -0.0009273900000000, -0.0003245200000000, -0.0003191500000000 ] - [ -0.0010139400000000, 0.0022494500000000, -0.0059781200000000 ] - [ 0.0005590800000000, -0.0005887500000000, 0.0002626200000000 ] - [ 0.0016121900000000, 0.0005489800000000, 0.0005162000000000 ] - [ -0.0041036300000000, -0.0008293200000000, 0.0012940000000000 ] - [ 0.0005629600000000, 0.0001820100000000, 0.0001650300000000 ] - [ 0.0002280800000000, -0.0000608700000000, 0.0001552500000000 ] - [ 0.0014390900000000, -0.0007513000000000, -0.0009231400000000 ] - [ 0.0071242000000000, -0.0066615800000000, -0.0069455400000000 ] - [ -0.0041984600000000, -0.0016537100000000, 0.0014471500000000 ] - [ -0.0006019200000000, 0.0002942300000000, -0.0002001300000000 ] - [ -0.0003109000000000, -0.0000231100000000, 0.0005905000000000 ] - [ -0.0002956700000000, -0.0001206400000000, -0.0001707300000000 ] - [ 0.0016790100000000, -0.0000067200000000, -0.0020209700000000 ] - [ -0.0003941200000000, 0.0002433900000000, 0.0000789900000000 ] - [ -0.0006138700000000, -0.0000112900000000, 0.0005822300000000 ] - [ 0.0000891200000000, -0.0000702500000000, -0.0001414800000000 ] - [ 0.0003228300000000, -0.0004838700000000, -0.0000326000000000 ] - [ -0.0006081500000000, -0.0000291500000000, -0.0004140800000000 ] - [ 0.0003225800000000, 0.0000958300000000, 0.0000831600000000 ] - [ 0.0011675300000000, 0.0002477900000000, 0.0005210700000000 ] - [ 0.0003367200000000, -0.0003882500000000, 0.0001156700000000 ] - [ 0.0043541800000000, 0.0036130400000000, -0.0007072200000000 ] - [ -0.0015110100000000, 0.0026430300000000, -0.0003866200000000 ] - [ 0.0003753300000000, -0.0002405000000000, 0.0001827200000000 ] - [ -0.0001278900000000, 0.0000279800000000, 0.0004955500000000 ] - [ 0.0011486800000000, -0.0002518500000000, -0.0002971000000000 ] - [ 0.0000396300000000, 0.0001746400000000, 0.0002269800000000 ] - [ 0.0001685900000000, -0.0000542100000000, -0.0002198100000000 ] - [ -0.0016636400000000, 0.0002079300000000, 0.0024678500000000 ] - [ -0.0003267200000000, 0.0001500700000000, 0.0002065400000000 ] - [ -0.0010114900000000, 0.0004121500000000, 0.0000080300000000 ] - [ 0.0001743800000000, -0.0021919600000000, 0.0001871500000000 ] - [ 0.0000896900000000, 0.0000871100000000, -0.0002427000000000 ] - [ 0.0000822300000000, -0.0000100900000000, 0.0002813000000000 ] - [ -0.0004206200000000, -0.0001636700000000, -0.0000213800000000 ] - [ -0.0030943300000000, -0.0013209600000000, -0.0008168100000000 ] - [ -0.0005026000000000, 0.0000334400000000, -0.0000603900000000 ] - [ -0.0003096100000000, 0.0001824500000000, -0.0002678800000000 ] - [ -0.0002511200000000, 0.0001953000000000, -0.0003113800000000 ] - [ 0.0006026100000000, 0.0001548500000000, -0.0003739300000000 ] - [ -0.0000137600000000, 0.0000795800000000, -0.0000144700000000 ] - [ -0.0009863000000000, -0.0015787200000000, 0.0017331400000000 ] - [ -0.0000485800000000, -0.0001169300000000, -0.0001336000000000 ] - [ 0.0006295200000000, 0.0007103400000000, -0.0005220800000000 ] - [ 0.0001097200000000, -0.0001698200000000, -0.0000834200000000 ] - [ 0.0000298900000000, -0.0001821000000000, 0.0002452400000000 ] - [ -0.0000158200000000, -0.0001750700000000, -0.0001742400000000 ] - [ 0.0003678400000000, -0.0000043500000000, 0.0003250700000000 ] - [ 0.0040686300000000, 0.0019193900000000, 0.0018811800000000 ] - [ 0.0000206100000000, -0.0000139200000000, -0.0001056500000000 ] - [ 0.0003674200000000, -0.0002361800000000, -0.0001650800000000 ] - [ 0.0001994200000000, -0.0002067200000000, -0.0004074800000000 ] - [ 0.0019245200000000, -0.0009299500000000, -0.0001901900000000 ] - [ 0.0014244200000000, -0.0013304800000000, 0.0007033100000000 ] - [ 0.0008675600000000, -0.0000768600000000, -0.0004139200000000 ] - [ -0.0021231100000000, -0.0008559900000000, 0.0007405600000000 ] - [ -0.0002026200000000, -0.0000527400000000, -0.0001539900000000 ] - [ 0.0028958600000000, 0.0015058600000000, 0.0011521000000000 ] - [ -0.0006446000000000, -0.0001700300000000, -0.0000061500000000 ] - [ -0.0010292000000000, -0.0006708400000000, 0.0002781300000000 ] - [ 0.0001297500000000, -0.0003937500000000, 0.0014604800000000 ] - [ -0.0004100500000000, -0.0000015600000000, -0.0000077600000000 ] - [ -0.0003666200000000, -0.0000518300000000, 0.0000635500000000 ] - [ -0.0001542200000000, 0.0002773000000000, 0.0000822500000000 ] - [ -0.0012074500000000, -0.0003823900000000, -0.0006269600000000 ] - [ 0.0000216100000000, 0.0004957800000000, 0.0002091200000000 ] - [ 0.0002632700000000, -0.0004667800000000, 0.0000029900000000 ] - [ 0.0003726800000000, -0.0001947400000000, 0.0000714600000000 ] - [ -0.0001960700000000, 0.0000439800000000, -0.0000959600000000 ] - [ -0.0007355500000000, 0.0004196700000000, 0.0003374400000000 ] - [ -0.0008279200000000, -0.0000382900000000, 0.0001338300000000 ] - [ 0.0002661600000000, -0.0000837200000000, -0.0000294900000000 ] - [ -0.0003452900000000, 0.0002453200000000, -0.0000150000000000 ] - [ 0.0021165800000000, 0.0019714900000000, -0.0013836300000000 ] - [ -0.0003542400000000, 0.0000260300000000, 0.0001910200000000 ] - [ 0.0003366300000000, 0.0002225300000000, -0.0001525900000000 ] - [ -0.0001344100000000, 0.0004110600000000, -0.0003480400000000 ] - [ -0.0009062000000000, 0.0001242700000000, -0.0001625700000000 ] - [ -0.0006086600000000, 0.0006452500000000, -0.0007337200000000 ] - [ 0.0001543100000000, -0.0001032000000000, -0.0004131600000000 ] - [ 0.0000399900000000, 0.0001385400000000, -0.0001817300000000 ] - [ -0.0009389800000000, 0.0001116900000000, -0.0001171600000000 ] - [ 0.0001373700000000, 0.0000877900000000, 0.0002002500000000 ] - [ -0.0017476800000000, 0.0020672600000000, 0.0014374800000000 ] - [ -0.0003178600000000, -0.0000559500000000, 0.0001675500000000 ] - [ 0.0023219200000000, 0.0005567200000000, 0.0004897200000000 ] - [ 0.0002114200000000, -0.0001567100000000, 0.0003330700000000 ] - [ 0.0023224400000000, 0.0018198200000000, 0.0020851100000000 ] - [ 0.0000517200000000, -0.0000804300000000, -0.0003520500000000 ] - [ 0.0003420400000000, -0.0000920300000000, -0.0001348300000000 ] - [ 0.0013583000000000, -0.0001510100000000, 0.0007607000000000 ] - [ 0.0000579700000000, -0.0009063000000000, 0.0004566500000000 ]- atom: 4 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010028100000000, 0.0002518100000000, -0.0002165500000000 ] - [ -0.0003600400000000, -0.0001320700000000, 0.0002981100000000 ] - [ 0.0004845400000000, -0.0000275300000000, 0.0006873500000000 ] - [ 0.0200585900000000, 0.0010039200000000, 0.0006675200000000 ] - [ -0.0002223200000000, -0.0000952000000000, 0.0000192000000000 ] - [ 0.0000369800000000, 0.0000457300000000, 0.0000924500000000 ] - [ 0.0001824200000000, 0.0005200300000000, -0.0001928000000000 ] - [ -0.0000084500000000, -0.0004834000000000, -0.0002872000000000 ] - [ -0.0014680100000000, 0.0002202300000000, -0.0000195400000000 ] - [ -0.0002261300000000, -0.0000570700000000, -0.0000796400000000 ] - [ 0.0002490300000000, -0.0001610000000000, 0.0001236600000000 ] - [ -0.0001818100000000, 0.0000439600000000, 0.0001519500000000 ] - [ 0.0002116700000000, -0.0000056200000000, -0.0000258000000000 ] - [ -0.0001957700000000, 0.0002321500000000, -0.0001657000000000 ] - [ -0.0031287500000000, -0.0035648500000000, 0.0012385500000000 ] - [ -0.0004627300000000, -0.0000383400000000, -0.0000015200000000 ] - [ -0.0005170200000000, -0.0003646800000000, -0.0002496100000000 ] - [ -0.0006043200000000, 0.0001869500000000, 0.0003287100000000 ] - [ 0.0002756100000000, 0.0001154500000000, -0.0000166900000000 ] - [ -0.0001960900000000, -0.0001015000000000, -0.0000414100000000 ] - [ 0.0000364500000000, -0.0001084100000000, -0.0000197700000000 ] - [ 0.0001393200000000, 0.0001081700000000, 0.0001312400000000 ] - [ -0.0030644200000000, 0.0024397600000000, 0.0006061900000000 ] - [ 0.0001310200000000, 0.0000573000000000, -0.0001836900000000 ] - [ 0.0000790400000000, -0.0001027200000000, 0.0001259000000000 ] - [ 0.0009606100000000, -0.0020311800000000, -0.0016741000000000 ] - [ 0.0000183700000000, 0.0002449400000000, 0.0003368200000000 ] - [ 0.0002048100000000, -0.0000204000000000, -0.0000320000000000 ] - [ 0.0000727900000000, 0.0001161800000000, -0.0002320100000000 ] - [ 0.0000662600000000, 0.0016579700000000, -0.0015456400000000 ] - [ -0.0004876900000000, -0.0003844900000000, 0.0000605100000000 ] - [ -0.0000966900000000, 0.0001663700000000, -0.0000406100000000 ] - [ -0.0003384900000000, 0.0000457300000000, 0.0001612100000000 ] - [ -0.0000724100000000, -0.0001632000000000, 0.0000175900000000 ] - [ -0.0000021900000000, 0.0001722900000000, 0.0000831900000000 ] - [ 0.0001041300000000, 0.0002568300000000, 0.0002138800000000 ] - [ -0.0013792200000000, -0.0005811200000000, -0.0015589000000000 ] - [ 0.0002721500000000, -0.0000044000000000, 0.0001918000000000 ] - [ -0.0006273500000000, 0.0001287700000000, -0.0016858900000000 ] - [ 0.0009194200000000, 0.0003616800000000, 0.0004319100000000 ] - [ 0.0009460800000000, -0.0018192800000000, 0.0066498600000000 ] - [ -0.0006598900000000, 0.0001055500000000, -0.0006593100000000 ] - [ -0.0015117600000000, -0.0000635600000000, -0.0001143300000000 ] - [ 0.0041957800000000, 0.0012817700000000, -0.0016751100000000 ] - [ -0.0004644300000000, 0.0002536600000000, 0.0004719100000000 ] - [ -0.0005342500000000, 0.0001250600000000, 0.0001231700000000 ] - [ -0.0015418300000000, 0.0012290600000000, 0.0005226100000000 ] - [ -0.0067342200000000, 0.0065079100000000, 0.0066054300000000 ] - [ 0.0043049300000000, 0.0012168200000000, -0.0021301000000000 ] - [ 0.0002829700000000, -0.0003622300000000, -0.0000785900000000 ] - [ 0.0002149500000000, -0.0004127900000000, 0.0000469600000000 ] - [ 0.0003974900000000, -0.0003668200000000, -0.0002343600000000 ] - [ -0.0017749000000000, 0.0004377900000000, 0.0013761000000000 ] - [ 0.0000789000000000, -0.0001825200000000, -0.0003624900000000 ] - [ 0.0005153700000000, -0.0004701000000000, -0.0001829300000000 ] - [ 0.0002184800000000, 0.0001326700000000, -0.0001366500000000 ] - [ -0.0004225800000000, 0.0000489400000000, -0.0006029700000000 ] - [ 0.0007036100000000, 0.0004571400000000, -0.0002192900000000 ] - [ -0.0000124000000000, -0.0000329900000000, 0.0001971400000000 ] - [ -0.0010698100000000, -0.0006802900000000, 0.0001116200000000 ] - [ -0.0006412600000000, 0.0003294200000000, 0.0001629600000000 ] - [ -0.0040812600000000, -0.0037055000000000, 0.0010068600000000 ] - [ 0.0014271000000000, -0.0021608800000000, 0.0007936800000000 ] - [ -0.0002753100000000, -0.0002388900000000, 0.0002154100000000 ] - [ 0.0003372200000000, -0.0001944100000000, -0.0008021400000000 ] - [ -0.0014477000000000, 0.0005245300000000, 0.0000798100000000 ] - [ 0.0000781300000000, -0.0000931200000000, 0.0004027700000000 ] - [ -0.0003737200000000, -0.0001118200000000, -0.0000922400000000 ] - [ 0.0016981300000000, -0.0002435200000000, -0.0023730000000000 ] - [ 0.0001720600000000, -0.0006807600000000, -0.0004711900000000 ] - [ 0.0007164200000000, -0.0001359000000000, 0.0002110100000000 ] - [ -0.0000646700000000, 0.0021272100000000, -0.0008247400000000 ] - [ -0.0003922400000000, -0.0001322800000000, 0.0000610700000000 ] - [ 0.0000266500000000, -0.0002088900000000, 0.0002034800000000 ] - [ 0.0002409000000000, -0.0000628600000000, 0.0000130700000000 ] - [ 0.0032202300000000, 0.0015510400000000, 0.0003410800000000 ] - [ 0.0003231800000000, 0.0001886300000000, 0.0000485700000000 ] - [ 0.0001931400000000, -0.0001018900000000, -0.0003639400000000 ] - [ 0.0001408600000000, 0.0000235800000000, -0.0001721800000000 ] - [ -0.0006392300000000, -0.0001150800000000, 0.0004667200000000 ] - [ 0.0000554500000000, -0.0000356000000000, 0.0000953200000000 ] - [ 0.0009724900000000, 0.0015264900000000, -0.0018008000000000 ] - [ 0.0003462800000000, -0.0001587800000000, -0.0000845300000000 ] - [ -0.0008088900000000, -0.0004767100000000, 0.0005279000000000 ] - [ 0.0000968700000000, 0.0003371700000000, 0.0003904900000000 ] - [ -0.0001357300000000, -0.0000389400000000, 0.0002432300000000 ] - [ 0.0001230700000000, -0.0000454900000000, -0.0003137500000000 ] - [ -0.0004059300000000, -0.0000346000000000, -0.0002427500000000 ] - [ -0.0042566600000000, -0.0016960800000000, -0.0021092600000000 ] - [ 0.0000184900000000, 0.0000569500000000, 0.0000228600000000 ] - [ -0.0001875600000000, 0.0000122200000000, 0.0001547700000000 ] - [ 0.0001085200000000, 0.0001607200000000, 0.0002257200000000 ] - [ -0.0017601800000000, 0.0004043800000000, -0.0000882100000000 ] - [ -0.0012574000000000, 0.0015497100000000, -0.0007118200000000 ] - [ -0.0010539900000000, -0.0001421100000000, 0.0004308500000000 ] - [ 0.0018243900000000, 0.0009057400000000, -0.0005659600000000 ] - [ 0.0000929200000000, -0.0001673800000000, -0.0003318100000000 ] - [ -0.0029170600000000, -0.0015166900000000, -0.0011437200000000 ] - [ 0.0003476700000000, -0.0001052900000000, 0.0002231700000000 ] - [ 0.0010283700000000, 0.0006704700000000, -0.0002755800000000 ] - [ 0.0000710100000000, 0.0002254300000000, -0.0011531700000000 ] - [ 0.0003684600000000, 0.0000448900000000, -0.0000719500000000 ] - [ 0.0000629400000000, 0.0000065200000000, 0.0001173600000000 ] - [ 0.0003104200000000, 0.0002547500000000, 0.0001834600000000 ] - [ 0.0015016400000000, 0.0006545000000000, 0.0004062800000000 ] - [ 0.0002769800000000, -0.0004519300000000, -0.0000283600000000 ] - [ 0.0000446900000000, 0.0005095900000000, -0.0001834600000000 ] - [ -0.0000803400000000, -0.0000778100000000, 0.0001490300000000 ] - [ 0.0003775000000000, -0.0002677800000000, 0.0001054600000000 ] - [ 0.0009168400000000, -0.0001922200000000, -0.0003259600000000 ] - [ 0.0009845800000000, -0.0004949500000000, 0.0001280800000000 ] - [ -0.0002681400000000, 0.0000868400000000, 0.0000291000000000 ] - [ 0.0003460800000000, -0.0002455600000000, 0.0000147800000000 ] - [ -0.0018438100000000, -0.0016619600000000, 0.0015791800000000 ] - [ 0.0003125300000000, -0.0000706700000000, -0.0002728100000000 ] - [ -0.0001797500000000, 0.0003116000000000, -0.0001103700000000 ] - [ 0.0003428600000000, -0.0002427000000000, 0.0000389700000000 ] - [ 0.0006980700000000, 0.0000407000000000, 0.0004733900000000 ] - [ 0.0004512400000000, -0.0001106700000000, 0.0004656800000000 ] - [ -0.0003129700000000, 0.0006353500000000, 0.0006788700000000 ] - [ 0.0002596300000000, -0.0001859500000000, 0.0003622900000000 ] - [ 0.0008227100000000, -0.0001978700000000, -0.0005149300000000 ] - [ -0.0002424800000000, 0.0001350900000000, 0.0002876300000000 ] - [ 0.0018628500000000, -0.0021460900000000, -0.0008031900000000 ] - [ 0.0001094500000000, -0.0001113400000000, 0.0001407500000000 ] - [ -0.0019086900000000, -0.0004445800000000, -0.0000056800000000 ] - [ -0.0003258200000000, 0.0002385700000000, 0.0002998900000000 ] - [ -0.0025805400000000, -0.0017884200000000, -0.0022679200000000 ] - [ 0.0000633000000000, 0.0001614800000000, -0.0002797900000000 ] - [ -0.0006395900000000, -0.0001838600000000, -0.0000830200000000 ] - [ -0.0014649800000000, 0.0000773200000000, -0.0001289300000000 ] - [ -0.0002194100000000, 0.0003721100000000, -0.0001911400000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002882700000000, 0.0000949700000000, -0.0001302700000000 ] - [ 0.0000928600000000, 0.0001116000000000, -0.0000868000000000 ] - [ 0.0000318200000000, -0.0009110600000000, 0.0004352000000000 ] - [ -0.0009834800000000, -0.0169048100000000, -0.0076533400000000 ] - [ -0.0000831300000000, 0.0000658900000000, 0.0000181500000000 ] - [ -0.0000071600000000, 0.0005695800000000, -0.0000018000000000 ] - [ -0.0004956300000000, 0.0011411400000000, 0.0000355500000000 ] - [ 0.0006358300000000, 0.0004362600000000, 0.0001692400000000 ] - [ -0.0002082900000000, -0.0003747900000000, 0.0000364500000000 ] - [ 0.0000423200000000, -0.0000319100000000, 0.0000056500000000 ] - [ 0.0000448200000000, 0.0000668300000000, -0.0004239500000000 ] - [ -0.0000375500000000, 0.0000266800000000, 0.0001448800000000 ] - [ -0.0000740300000000, -0.0000258500000000, -0.0002389500000000 ] - [ -0.0004266100000000, 0.0002211900000000, -0.0002025500000000 ] - [ 0.0032707300000000, -0.0002460000000000, -0.0009344500000000 ] - [ 0.0000886400000000, 0.0000995500000000, -0.0001403200000000 ] - [ 0.0001738800000000, -0.0000727600000000, 0.0002725400000000 ] - [ 0.0000336000000000, -0.0002035400000000, -0.0000623100000000 ] - [ 0.0001030200000000, 0.0010013200000000, 0.0000163000000000 ] - [ 0.0000099900000000, 0.0001913700000000, 0.0000161700000000 ] - [ -0.0000960600000000, 0.0002129200000000, -0.0000388600000000 ] - [ 0.0000642500000000, 0.0002850800000000, 0.0001498200000000 ] - [ -0.0022846500000000, -0.0001388100000000, 0.0005718000000000 ] - [ 0.0002402000000000, 0.0003258800000000, -0.0001122500000000 ] - [ 0.0003815100000000, 0.0000354900000000, -0.0003338300000000 ] - [ 0.0025371000000000, 0.0033943800000000, 0.0033386800000000 ] - [ -0.0001855400000000, 0.0000474300000000, 0.0002819100000000 ] - [ -0.0000799900000000, 0.0006492000000000, -0.0001055900000000 ] - [ -0.0001323900000000, -0.0002618200000000, -0.0001813600000000 ] - [ -0.0016261200000000, 0.0011796500000000, -0.0019492600000000 ] - [ 0.0000787100000000, 0.0003538300000000, 0.0001871200000000 ] - [ 0.0001549000000000, 0.0005194100000000, 0.0000146200000000 ] - [ -0.0001016500000000, -0.0000865800000000, 0.0001631600000000 ] - [ 0.0001513700000000, -0.0003420000000000, 0.0000490200000000 ] - [ 0.0000948100000000, 0.0004394600000000, -0.0000416700000000 ] - [ -0.0001758800000000, 0.0003122300000000, 0.0003273800000000 ] - [ 0.0005100100000000, -0.0010410600000000, -0.0000001900000000 ] - [ -0.0000070100000000, -0.0004360400000000, 0.0000831600000000 ] - [ -0.0003192900000000, -0.0010815100000000, -0.0003975000000000 ] - [ -0.0005637900000000, 0.0028088400000000, 0.0012138500000000 ] - [ 0.0012443400000000, -0.0039635200000000, -0.0030359800000000 ] - [ -0.0001657600000000, -0.0001357800000000, -0.0004034400000000 ] - [ 0.0000295900000000, 0.0003350700000000, 0.0005104900000000 ] - [ 0.0009080900000000, 0.0049556800000000, -0.0049193000000000 ] - [ -0.0000512900000000, 0.0007968300000000, 0.0005342600000000 ] - [ -0.0004089000000000, -0.0001928100000000, 0.0000637500000000 ] - [ -0.0008484200000000, 0.0008439600000000, 0.0005447600000000 ] - [ -0.0071129800000000, 0.0006311800000000, 0.0020561600000000 ] - [ -0.0014397500000000, -0.0017093400000000, 0.0060650500000000 ] - [ 0.0012604500000000, 0.0023811600000000, -0.0002544400000000 ] - [ -0.0003885900000000, 0.0009893700000000, 0.0007401000000000 ] - [ 0.0001389800000000, 0.0006365900000000, 0.0006091800000000 ] - [ -0.0007924000000000, -0.0002404600000000, 0.0005369200000000 ] - [ 0.0004087600000000, 0.0000873200000000, 0.0005207200000000 ] - [ -0.0000187200000000, -0.0002461600000000, 0.0007305000000000 ] - [ -0.0000902900000000, 0.0003004300000000, -0.0002768400000000 ] - [ -0.0003517500000000, 0.0003494300000000, -0.0005943800000000 ] - [ 0.0001158100000000, 0.0018758100000000, -0.0009858400000000 ] - [ 0.0002792900000000, 0.0002980400000000, 0.0001955700000000 ] - [ -0.0002764900000000, -0.0008481600000000, 0.0002614000000000 ] - [ -0.0007328500000000, 0.0007079200000000, -0.0000182600000000 ] - [ 0.0024573400000000, -0.0014101300000000, -0.0003596500000000 ] - [ 0.0018075600000000, 0.0027769200000000, -0.0011834500000000 ] - [ 0.0000776700000000, -0.0002508200000000, 0.0001772500000000 ] - [ 0.0002433800000000, 0.0001160200000000, -0.0005490800000000 ] - [ -0.0005887500000000, -0.0019734200000000, 0.0004406300000000 ] - [ 0.0000530800000000, -0.0000283000000000, 0.0003666700000000 ] - [ -0.0002469000000000, -0.0005395000000000, 0.0001500300000000 ] - [ 0.0013447500000000, 0.0011401000000000, -0.0010405400000000 ] - [ 0.0000707600000000, -0.0007211800000000, -0.0004590700000000 ] - [ 0.0000860100000000, -0.0001867500000000, 0.0000485100000000 ] - [ -0.0016732900000000, -0.0002610500000000, 0.0000999700000000 ] - [ -0.0000053700000000, -0.0003102300000000, 0.0002195500000000 ] - [ 0.0001232700000000, -0.0004338600000000, 0.0002967500000000 ] - [ -0.0001781000000000, 0.0000545200000000, 0.0000159500000000 ] - [ -0.0008649700000000, 0.0013065300000000, -0.0004492600000000 ] - [ -0.0002354100000000, -0.0001844200000000, -0.0001817300000000 ] - [ -0.0000417100000000, 0.0000792800000000, -0.0003103400000000 ] - [ 0.0000854800000000, -0.0004110700000000, -0.0001000600000000 ] - [ -0.0002678900000000, 0.0005383800000000, -0.0015194100000000 ] - [ 0.0001010400000000, -0.0002298900000000, 0.0001085000000000 ] - [ -0.0002445200000000, 0.0018131000000000, 0.0003021300000000 ] - [ 0.0000815800000000, -0.0002390600000000, -0.0000738200000000 ] - [ -0.0001771500000000, -0.0016117100000000, 0.0011117700000000 ] - [ -0.0000928100000000, -0.0007884100000000, -0.0002371300000000 ] - [ -0.0001949000000000, 0.0002429800000000, -0.0000553000000000 ] - [ 0.0000123200000000, -0.0003646100000000, -0.0002603800000000 ] - [ -0.0000492700000000, -0.0011472600000000, 0.0003548300000000 ] - [ 0.0013730800000000, 0.0048450400000000, 0.0025255400000000 ] - [ 0.0000148900000000, -0.0002942700000000, -0.0001939800000000 ] - [ -0.0000653200000000, -0.0005065400000000, -0.0004164300000000 ] - [ -0.0001532900000000, 0.0000450300000000, -0.0003009000000000 ] - [ -0.0008421400000000, -0.0002707800000000, 0.0022455200000000 ] - [ -0.0014381100000000, 0.0001133700000000, 0.0019507100000000 ] - [ 0.0004034900000000, -0.0006619500000000, -0.0013272800000000 ] - [ -0.0006113700000000, 0.0002978600000000, 0.0003188000000000 ] - [ 0.0000347400000000, 0.0001380300000000, -0.0001952800000000 ] - [ 0.0018548100000000, 0.0036532800000000, -0.0005904500000000 ] - [ -0.0000775000000000, -0.0000600500000000, 0.0002144600000000 ] - [ 0.0005224400000000, 0.0006629900000000, -0.0001789700000000 ] - [ -0.0000365700000000, 0.0007377200000000, 0.0007304200000000 ] - [ 0.0001339300000000, 0.0002451800000000, -0.0000566000000000 ] - [ -0.0001779800000000, -0.0001432900000000, 0.0000298900000000 ] - [ 0.0001560400000000, 0.0000914300000000, 0.0002146200000000 ] - [ -0.0002528800000000, 0.0002450300000000, -0.0002926500000000 ] - [ 0.0008698400000000, -0.0006711700000000, 0.0000316000000000 ] - [ -0.0004654900000000, -0.0005582900000000, 0.0000911900000000 ] - [ 0.0003996400000000, -0.0005263500000000, -0.0001333400000000 ] - [ 0.0000788400000000, -0.0002618900000000, 0.0001011400000000 ] - [ 0.0002805800000000, 0.0002155600000000, -0.0003118200000000 ] - [ 0.0001518300000000, -0.0000778800000000, -0.0001093300000000 ] - [ 0.0005940300000000, -0.0010806200000000, 0.0000963300000000 ] - [ 0.0003177300000000, -0.0005112900000000, -0.0000212600000000 ] - [ 0.0011885400000000, 0.0002612100000000, 0.0016203500000000 ] - [ 0.0002039200000000, -0.0004680600000000, -0.0001820800000000 ] - [ -0.0000768400000000, -0.0003900800000000, -0.0005533700000000 ] - [ 0.0004067600000000, -0.0004626900000000, -0.0000057200000000 ] - [ 0.0001609800000000, 0.0004218700000000, 0.0002637700000000 ] - [ 0.0002138400000000, 0.0005981400000000, 0.0001844600000000 ] - [ -0.0003580200000000, 0.0006633700000000, -0.0004379300000000 ] - [ 0.0004013400000000, 0.0001266800000000, 0.0002625900000000 ] - [ 0.0001518400000000, -0.0003394600000000, -0.0003908700000000 ] - [ -0.0003991600000000, -0.0010393200000000, 0.0000459400000000 ] - [ 0.0015156200000000, -0.0009474100000000, 0.0000075300000000 ] - [ -0.0000705200000000, -0.0003134200000000, 0.0000782300000000 ] - [ 0.0011850300000000, 0.0026002400000000, 0.0008590300000000 ] - [ -0.0003245300000000, -0.0000026300000000, 0.0000590300000000 ] - [ 0.0013671100000000, 0.0001815800000000, -0.0017759900000000 ] - [ -0.0001364500000000, -0.0001138000000000, -0.0004030600000000 ] - [ -0.0000771700000000, 0.0000404300000000, -0.0002979000000000 ] - [ -0.0015646300000000, -0.0024949100000000, 0.0010585400000000 ] - [ -0.0008070700000000, -0.0012482800000000, 0.0008963700000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003016900000000, -0.0000448800000000, 0.0002454600000000 ] - [ -0.0002412600000000, -0.0000165400000000, 0.0002497100000000 ] - [ -0.0000661100000000, 0.0011251600000000, -0.0004198400000000 ] - [ 0.0007027200000000, 0.0169743100000000, 0.0075822900000000 ] - [ -0.0001097800000000, -0.0002826100000000, 0.0000093600000000 ] - [ 0.0000396200000000, -0.0003565200000000, -0.0000071000000000 ] - [ 0.0002236800000000, -0.0013071900000000, -0.0003436900000000 ] - [ -0.0004857700000000, -0.0005311700000000, -0.0003294200000000 ] - [ 0.0000154000000000, 0.0005904600000000, -0.0000087700000000 ] - [ -0.0000562200000000, -0.0000172800000000, -0.0001218400000000 ] - [ -0.0000318200000000, -0.0001139500000000, 0.0003084900000000 ] - [ 0.0000508600000000, -0.0000745700000000, -0.0000285800000000 ] - [ 0.0000604000000000, -0.0000233900000000, 0.0003544700000000 ] - [ 0.0005743600000000, -0.0003155100000000, 0.0003648100000000 ] - [ -0.0029784900000000, 0.0000693700000000, 0.0006248800000000 ] - [ -0.0001018300000000, -0.0000520200000000, 0.0000239900000000 ] - [ -0.0003232200000000, -0.0000193000000000, -0.0001090600000000 ] - [ -0.0000656700000000, 0.0004164500000000, 0.0000508800000000 ] - [ 0.0000878600000000, -0.0007848000000000, 0.0000093500000000 ] - [ -0.0000436000000000, -0.0004044000000000, -0.0000268000000000 ] - [ -0.0000967600000000, -0.0004295500000000, 0.0000115100000000 ] - [ 0.0002119100000000, -0.0001216800000000, 0.0001554000000000 ] - [ 0.0025534300000000, -0.0000346800000000, -0.0002657600000000 ] - [ 0.0000363500000000, -0.0001627900000000, -0.0001927400000000 ] - [ -0.0002329500000000, 0.0000568900000000, 0.0001700700000000 ] - [ -0.0025555300000000, -0.0033860500000000, -0.0035057800000000 ] - [ 0.0003333200000000, 0.0000445000000000, -0.0001180700000000 ] - [ 0.0000478800000000, -0.0008628100000000, 0.0001180500000000 ] - [ -0.0001443700000000, 0.0004271200000000, -0.0001240000000000 ] - [ 0.0014893800000000, -0.0012733900000000, 0.0017981800000000 ] - [ -0.0003566100000000, -0.0005167600000000, 0.0001178500000000 ] - [ 0.0000388000000000, -0.0003021600000000, -0.0000419300000000 ] - [ -0.0001748000000000, 0.0002509300000000, 0.0001416500000000 ] - [ 0.0000411000000000, 0.0001252200000000, -0.0000764400000000 ] - [ -0.0000611200000000, -0.0002258500000000, 0.0000513600000000 ] - [ 0.0000286500000000, -0.0002176800000000, -0.0004905200000000 ] - [ -0.0004819800000000, 0.0008263500000000, 0.0000068300000000 ] - [ 0.0002004700000000, 0.0002189800000000, -0.0000578300000000 ] - [ 0.0003564700000000, 0.0008655300000000, 0.0003924200000000 ] - [ 0.0005450500000000, -0.0027354900000000, -0.0010832900000000 ] - [ -0.0013375300000000, 0.0044341500000000, 0.0036537600000000 ] - [ 0.0000649200000000, -0.0003440200000000, 0.0000047300000000 ] - [ 0.0000699500000000, 0.0001431300000000, -0.0001107900000000 ] - [ -0.0008328600000000, -0.0044453500000000, 0.0044686800000000 ] - [ 0.0001484100000000, -0.0003634500000000, 0.0001021400000000 ] - [ 0.0001008000000000, 0.0002547800000000, 0.0002154300000000 ] - [ 0.0007461000000000, -0.0003593400000000, -0.0009429300000000 ] - [ 0.0074502000000000, -0.0006740500000000, -0.0023396800000000 ] - [ 0.0015469900000000, 0.0012500300000000, -0.0066994500000000 ] - [ -0.0015575500000000, -0.0024340000000000, -0.0000285200000000 ] - [ 0.0002902800000000, -0.0014237500000000, -0.0001066400000000 ] - [ -0.0000374700000000, -0.0011241600000000, -0.0010072900000000 ] - [ 0.0006918300000000, 0.0006754400000000, -0.0011695800000000 ] - [ -0.0007193900000000, -0.0000282800000000, -0.0008050900000000 ] - [ -0.0000818400000000, -0.0002324400000000, -0.0003332100000000 ] - [ 0.0004007600000000, -0.0002356900000000, -0.0000010700000000 ] - [ 0.0002547300000000, -0.0007821300000000, -0.0000402400000000 ] - [ -0.0000203800000000, -0.0014429600000000, 0.0003456000000000 ] - [ 0.0000286100000000, -0.0002331700000000, 0.0000841900000000 ] - [ 0.0003745300000000, 0.0004119800000000, 0.0003756200000000 ] - [ 0.0004195900000000, -0.0007714800000000, 0.0002957600000000 ] - [ -0.0021485300000000, 0.0013751700000000, 0.0006423600000000 ] - [ -0.0019275900000000, -0.0022960000000000, 0.0016047000000000 ] - [ 0.0000228900000000, -0.0002317800000000, 0.0002216100000000 ] - [ -0.0000356000000000, -0.0002839700000000, 0.0002378300000000 ] - [ 0.0003005000000000, 0.0022640900000000, -0.0006672700000000 ] - [ 0.0000623000000000, 0.0001084800000000, 0.0002650200000000 ] - [ 0.0000402900000000, 0.0003727300000000, -0.0004592300000000 ] - [ -0.0013039700000000, -0.0011845300000000, 0.0011185900000000 ] - [ -0.0002277500000000, 0.0001871900000000, 0.0001932800000000 ] - [ -0.0003808900000000, 0.0004600800000000, 0.0001703000000000 ] - [ 0.0018042200000000, 0.0001717800000000, -0.0007358700000000 ] - [ -0.0002990600000000, 0.0002642300000000, -0.0004024600000000 ] - [ -0.0000150900000000, 0.0002136800000000, 0.0001893200000000 ] - [ -0.0000027200000000, -0.0002776200000000, -0.0000269500000000 ] - [ 0.0009646200000000, -0.0010967100000000, -0.0000368600000000 ] - [ 0.0000552800000000, 0.0004102000000000, 0.0001712200000000 ] - [ -0.0000743800000000, 0.0000039200000000, -0.0003226200000000 ] - [ -0.0001928700000000, 0.0006304800000000, -0.0003842000000000 ] - [ 0.0002300600000000, -0.0004942800000000, 0.0016089200000000 ] - [ -0.0000605600000000, 0.0002734800000000, -0.0000272900000000 ] - [ 0.0002707500000000, -0.0018690400000000, -0.0003787200000000 ] - [ 0.0002146700000000, -0.0000358600000000, -0.0001445200000000 ] - [ 0.0000018100000000, 0.0018400200000000, -0.0010998300000000 ] - [ 0.0003028600000000, 0.0009564800000000, 0.0005466600000000 ] - [ 0.0000869400000000, -0.0004628200000000, 0.0005450800000000 ] - [ 0.0000963200000000, 0.0001431900000000, -0.0002283500000000 ] - [ 0.0000096500000000, 0.0011021800000000, -0.0002674500000000 ] - [ -0.0014991800000000, -0.0045571000000000, -0.0026543000000000 ] - [ 0.0000262200000000, 0.0003375600000000, 0.0001130400000000 ] - [ 0.0002456400000000, 0.0002812300000000, 0.0004082500000000 ] - [ 0.0004590500000000, -0.0000884500000000, 0.0001208000000000 ] - [ 0.0009963600000000, -0.0002522300000000, -0.0025024400000000 ] - [ 0.0016188200000000, 0.0000834500000000, -0.0019599600000000 ] - [ -0.0005873300000000, 0.0004456100000000, 0.0013372300000000 ] - [ 0.0003051000000000, -0.0002581300000000, -0.0001373400000000 ] - [ -0.0001436700000000, -0.0003569200000000, -0.0002904000000000 ] - [ -0.0018545900000000, -0.0036464800000000, 0.0006008500000000 ] - [ -0.0002190400000000, -0.0002165500000000, 0.0000038400000000 ] - [ -0.0005212600000000, -0.0006616800000000, 0.0001783900000000 ] - [ 0.0002424000000000, -0.0009110600000000, -0.0004158100000000 ] - [ -0.0001746500000000, -0.0001997200000000, -0.0000258100000000 ] - [ -0.0001244800000000, 0.0000968700000000, 0.0001505700000000 ] - [ 0.0000009600000000, 0.0004417900000000, 0.0000511200000000 ] - [ 0.0005499600000000, 0.0000328600000000, 0.0000743600000000 ] - [ -0.0005605000000000, 0.0007159200000000, 0.0001500100000000 ] - [ 0.0007638700000000, 0.0006038400000000, -0.0002699400000000 ] - [ -0.0001050500000000, 0.0002531900000000, 0.0003520400000000 ] - [ 0.0001012300000000, 0.0000359600000000, -0.0000908600000000 ] - [ -0.0000983200000000, 0.0000069400000000, 0.0003221900000000 ] - [ 0.0000045700000000, -0.0004519800000000, 0.0003733700000000 ] - [ -0.0005939300000000, 0.0010808500000000, -0.0000949400000000 ] - [ -0.0003174400000000, 0.0005111800000000, 0.0000208800000000 ] - [ -0.0009187200000000, 0.0001161300000000, -0.0014538900000000 ] - [ -0.0002435200000000, 0.0004227100000000, 0.0000997400000000 ] - [ 0.0002320500000000, 0.0009234500000000, 0.0002847900000000 ] - [ -0.0002009100000000, 0.0006291700000000, -0.0003037300000000 ] - [ -0.0003699700000000, -0.0002536100000000, 0.0000437700000000 ] - [ -0.0003719700000000, -0.0000676900000000, -0.0004496700000000 ] - [ 0.0002024300000000, -0.0001346800000000, 0.0007043700000000 ] - [ -0.0000990100000000, -0.0001717600000000, -0.0000824000000000 ] - [ -0.0002656800000000, 0.0002593900000000, -0.0002421300000000 ] - [ 0.0002869700000000, 0.0012577200000000, 0.0004422500000000 ] - [ -0.0013982000000000, 0.0008587600000000, 0.0006232000000000 ] - [ -0.0001368800000000, 0.0001469600000000, 0.0002301500000000 ] - [ -0.0010532300000000, -0.0023971100000000, -0.0003792500000000 ] - [ 0.0002072700000000, 0.0000883400000000, 0.0005733300000000 ] - [ -0.0016382900000000, -0.0001896400000000, 0.0015608400000000 ] - [ 0.0002520600000000, 0.0001949700000000, -0.0002293900000000 ] - [ -0.0002198900000000, -0.0003171900000000, 0.0000802700000000 ] - [ 0.0014412500000000, 0.0023966100000000, -0.0004130500000000 ] - [ 0.0006531800000000, 0.0007122300000000, -0.0006345700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000320000000000, -0.0000254500000000, -0.0003110100000000 ] - [ -0.0002879300000000, -0.0001233100000000, 0.0001905200000000 ] - [ -0.0007094300000000, 0.0003591100000000, 0.0022802600000000 ] - [ -0.0008292000000000, -0.0075993100000000, -0.0199779300000000 ] - [ -0.0000910200000000, -0.0001039600000000, 0.0001664200000000 ] - [ -0.0000877600000000, 0.0001242600000000, 0.0000395900000000 ] - [ -0.0001273200000000, 0.0003384100000000, -0.0005779700000000 ] - [ 0.0005690400000000, 0.0004802900000000, -0.0003075800000000 ] - [ -0.0001295400000000, 0.0000853800000000, -0.0003049700000000 ] - [ 0.0000706800000000, 0.0000472500000000, 0.0001157800000000 ] - [ 0.0000040900000000, -0.0003252700000000, 0.0005075600000000 ] - [ -0.0000437600000000, 0.0000143000000000, 0.0003131200000000 ] - [ 0.0000525200000000, -0.0001600700000000, 0.0008774300000000 ] - [ 0.0004208400000000, -0.0002641900000000, 0.0001408700000000 ] - [ -0.0014838800000000, -0.0010819900000000, -0.0015429300000000 ] - [ -0.0000582400000000, -0.0000277300000000, -0.0001961500000000 ] - [ 0.0001961700000000, 0.0000973900000000, 0.0000895700000000 ] - [ -0.0003048700000000, 0.0001514000000000, 0.0000977400000000 ] - [ 0.0001266900000000, 0.0001051800000000, -0.0003591600000000 ] - [ 0.0000205400000000, -0.0000608700000000, -0.0000049400000000 ] - [ -0.0000900600000000, -0.0000829900000000, 0.0003159400000000 ] - [ 0.0000828100000000, 0.0000867000000000, 0.0003969900000000 ] - [ 0.0001092000000000, 0.0001261200000000, -0.0011450800000000 ] - [ 0.0002510100000000, 0.0001939800000000, 0.0001124200000000 ] - [ -0.0002929700000000, -0.0001313400000000, 0.0003423800000000 ] - [ 0.0019607900000000, 0.0035380700000000, 0.0006965700000000 ] - [ -0.0003531000000000, 0.0003024800000000, 0.0002027200000000 ] - [ 0.0000533400000000, -0.0001427500000000, -0.0001295000000000 ] - [ -0.0000397500000000, -0.0001538500000000, 0.0005321800000000 ] - [ 0.0012239700000000, -0.0016795800000000, 0.0002036500000000 ] - [ -0.0002248100000000, -0.0001054300000000, -0.0001049500000000 ] - [ 0.0000694500000000, 0.0001369300000000, -0.0002394500000000 ] - [ -0.0001110400000000, 0.0000558800000000, 0.0005356500000000 ] - [ 0.0001282300000000, -0.0001713000000000, 0.0003540900000000 ] - [ -0.0000415700000000, 0.0001018700000000, 0.0001355900000000 ] - [ -0.0002137200000000, 0.0003597100000000, 0.0003829300000000 ] - [ 0.0014711500000000, -0.0001640100000000, 0.0002035200000000 ] - [ -0.0000831500000000, -0.0000377300000000, 0.0010760300000000 ] - [ 0.0015585200000000, -0.0003901800000000, 0.0011663600000000 ] - [ -0.0004221500000000, 0.0011484700000000, -0.0009145600000000 ] - [ -0.0070163900000000, -0.0045183600000000, 0.0041292300000000 ] - [ 0.0001703400000000, -0.0005992600000000, 0.0002382300000000 ] - [ 0.0000478200000000, 0.0003559000000000, -0.0002081200000000 ] - [ 0.0002824900000000, -0.0049976000000000, -0.0000505200000000 ] - [ 0.0001345300000000, 0.0002952600000000, 0.0001973100000000 ] - [ -0.0000448200000000, 0.0001158200000000, 0.0009961000000000 ] - [ -0.0005478700000000, 0.0007590100000000, -0.0001104100000000 ] - [ -0.0061276300000000, 0.0012098400000000, -0.0026927500000000 ] - [ 0.0015623600000000, 0.0058043800000000, 0.0100951100000000 ] - [ -0.0007600700000000, -0.0008789000000000, -0.0008285200000000 ] - [ 0.0002295000000000, 0.0001410300000000, 0.0007885100000000 ] - [ 0.0003583400000000, 0.0014847900000000, 0.0011898300000000 ] - [ -0.0008714600000000, 0.0003732400000000, 0.0004790000000000 ] - [ 0.0009715300000000, 0.0007986100000000, 0.0020778900000000 ] - [ -0.0001817600000000, 0.0002087100000000, 0.0014378400000000 ] - [ 0.0003427500000000, -0.0001793800000000, 0.0003770000000000 ] - [ 0.0000041200000000, -0.0003145300000000, -0.0002763800000000 ] - [ -0.0003984100000000, -0.0005138200000000, 0.0000558400000000 ] - [ 0.0003354300000000, 0.0001470300000000, 0.0006979400000000 ] - [ 0.0000161700000000, -0.0004475100000000, 0.0007297400000000 ] - [ -0.0002401700000000, 0.0000693700000000, -0.0003688600000000 ] - [ -0.0015320200000000, -0.0008531200000000, -0.0036271800000000 ] - [ -0.0010705800000000, -0.0025325800000000, -0.0021352100000000 ] - [ 0.0000094300000000, -0.0003532200000000, 0.0005659800000000 ] - [ 0.0004981300000000, -0.0001631500000000, -0.0006476400000000 ] - [ -0.0003672600000000, 0.0007188200000000, 0.0011940000000000 ] - [ 0.0000337400000000, 0.0002044100000000, 0.0000301400000000 ] - [ 0.0000495800000000, 0.0001328600000000, -0.0005679400000000 ] - [ 0.0011873900000000, 0.0000163900000000, 0.0000495900000000 ] - [ 0.0000949000000000, -0.0004538100000000, -0.0002020200000000 ] - [ 0.0000984100000000, -0.0000555000000000, 0.0003568600000000 ] - [ 0.0005254900000000, 0.0002548300000000, 0.0012469500000000 ] - [ -0.0003378500000000, 0.0001957400000000, -0.0004578500000000 ] - [ 0.0000281500000000, -0.0000904900000000, -0.0002210800000000 ] - [ -0.0000334300000000, 0.0000910300000000, -0.0002256400000000 ] - [ -0.0009607700000000, -0.0003904400000000, 0.0016123400000000 ] - [ -0.0002214500000000, 0.0000939100000000, 0.0001061400000000 ] - [ -0.0000409300000000, 0.0000198300000000, -0.0006078300000000 ] - [ -0.0000666400000000, 0.0000791200000000, 0.0001357700000000 ] - [ -0.0014635700000000, -0.0006006000000000, -0.0027964900000000 ] - [ -0.0000084000000000, 0.0000293500000000, -0.0000826800000000 ] - [ 0.0025365100000000, 0.0009813700000000, 0.0022165400000000 ] - [ 0.0001177800000000, -0.0000845300000000, -0.0004163600000000 ] - [ -0.0002103500000000, 0.0014177100000000, -0.0004080100000000 ] - [ -0.0001823100000000, -0.0004107400000000, 0.0000175900000000 ] - [ -0.0001486100000000, 0.0000717400000000, -0.0011558600000000 ] - [ 0.0000799000000000, -0.0001616900000000, -0.0006482300000000 ] - [ 0.0001880200000000, 0.0001831200000000, 0.0001657900000000 ] - [ 0.0009674300000000, 0.0019805200000000, 0.0051255500000000 ] - [ -0.0002065400000000, -0.0000293100000000, -0.0004576000000000 ] - [ -0.0000361800000000, -0.0003238800000000, -0.0004597700000000 ] - [ -0.0003459000000000, -0.0002493300000000, -0.0007102600000000 ] - [ 0.0004414900000000, 0.0024450500000000, -0.0019151300000000 ] - [ 0.0013903500000000, 0.0034155200000000, 0.0003030300000000 ] - [ 0.0004248100000000, -0.0025458300000000, -0.0018441500000000 ] - [ 0.0003660500000000, 0.0002145600000000, 0.0009071300000000 ] - [ 0.0000536900000000, -0.0002818800000000, -0.0008315100000000 ] - [ 0.0019701600000000, 0.0007515500000000, -0.0023270200000000 ] - [ -0.0002365200000000, -0.0000765600000000, -0.0002332000000000 ] - [ 0.0002930000000000, 0.0002101400000000, -0.0002212000000000 ] - [ 0.0015083100000000, 0.0007671700000000, -0.0010443000000000 ] - [ 0.0000202400000000, 0.0001231200000000, -0.0004982500000000 ] - [ -0.0001770700000000, -0.0000746000000000, -0.0001489700000000 ] - [ -0.0000016400000000, 0.0002833700000000, -0.0000441900000000 ] - [ 0.0002058100000000, 0.0001468000000000, 0.0005056500000000 ] - [ 0.0004176000000000, -0.0000844000000000, 0.0004725600000000 ] - [ 0.0004014100000000, 0.0003016600000000, 0.0000742100000000 ] - [ 0.0004329100000000, -0.0006022000000000, -0.0005801400000000 ] - [ 0.0000723300000000, 0.0000142600000000, -0.0000029900000000 ] - [ 0.0003185600000000, -0.0001585100000000, -0.0000739600000000 ] - [ 0.0001944700000000, -0.0004418800000000, 0.0003926300000000 ] - [ -0.0000388200000000, 0.0001283200000000, -0.0001406500000000 ] - [ -0.0000564700000000, 0.0000345200000000, 0.0000215800000000 ] - [ -0.0007071200000000, 0.0014573200000000, 0.0017503800000000 ] - [ -0.0000469000000000, -0.0000339200000000, 0.0001560900000000 ] - [ -0.0000557600000000, -0.0003653600000000, -0.0003189300000000 ] - [ -0.0001046300000000, 0.0002783100000000, 0.0000169300000000 ] - [ -0.0004157300000000, 0.0002171600000000, 0.0001665200000000 ] - [ -0.0005018200000000, 0.0006198800000000, -0.0004330100000000 ] - [ -0.0003327200000000, -0.0002332200000000, -0.0008824300000000 ] - [ -0.0000284200000000, 0.0000204700000000, -0.0005564000000000 ] - [ -0.0000878500000000, -0.0001275900000000, -0.0000546700000000 ] - [ -0.0000181600000000, 0.0001866700000000, 0.0009731600000000 ] - [ 0.0012132200000000, -0.0005210700000000, 0.0008459500000000 ] - [ -0.0000356200000000, -0.0001728000000000, 0.0001182700000000 ] - [ 0.0010327700000000, 0.0005294900000000, 0.0038971200000000 ] - [ -0.0003179800000000, -0.0003390200000000, -0.0005330500000000 ] - [ 0.0017284300000000, -0.0014911600000000, 0.0009390900000000 ] - [ -0.0001517900000000, -0.0002228300000000, -0.0009391100000000 ] - [ -0.0000925700000000, -0.0001896600000000, -0.0009942900000000 ] - [ 0.0008045100000000, 0.0012691900000000, 0.0013798000000000 ] - [ 0.0002927700000000, 0.0004941800000000, 0.0003881400000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000199300000000, 0.0000747200000000, 0.0004248000000000 ] - [ 0.0001394900000000, 0.0002168000000000, -0.0000287200000000 ] - [ 0.0006843600000000, -0.0001501700000000, -0.0022858300000000 ] - [ 0.0005808100000000, 0.0076380400000000, 0.0195559600000000 ] - [ -0.0001018800000000, -0.0001127000000000, -0.0001391200000000 ] - [ 0.0001207800000000, 0.0000895400000000, -0.0000507800000000 ] - [ -0.0001493700000000, -0.0004990500000000, 0.0002730800000000 ] - [ -0.0004200600000000, -0.0005726700000000, 0.0001434900000000 ] - [ -0.0000639000000000, 0.0001305900000000, 0.0003331000000000 ] - [ -0.0000839200000000, -0.0000953800000000, -0.0002324000000000 ] - [ 0.0000092100000000, 0.0002754100000000, -0.0006239600000000 ] - [ 0.0000570200000000, -0.0000628300000000, -0.0001962000000000 ] - [ -0.0000665300000000, 0.0001133700000000, -0.0007617600000000 ] - [ -0.0002721900000000, 0.0001709500000000, 0.0000238100000000 ] - [ 0.0017541600000000, 0.0009107200000000, 0.0012485300000000 ] - [ 0.0000444500000000, 0.0000758400000000, 0.0000804500000000 ] - [ -0.0003451000000000, -0.0001910200000000, 0.0000753500000000 ] - [ 0.0002710500000000, 0.0000616000000000, -0.0001097800000000 ] - [ 0.0000663200000000, 0.0001121200000000, 0.0003868200000000 ] - [ -0.0000538800000000, -0.0001520700000000, -0.0000045900000000 ] - [ -0.0001026100000000, -0.0001334000000000, -0.0003429200000000 ] - [ 0.0001931500000000, 0.0000778500000000, -0.0000914700000000 ] - [ 0.0001785200000000, -0.0002970700000000, 0.0014466700000000 ] - [ 0.0000258000000000, -0.0000292800000000, -0.0004174600000000 ] - [ 0.0004428800000000, 0.0002264900000000, -0.0005048100000000 ] - [ -0.0019557000000000, -0.0035129900000000, -0.0008029700000000 ] - [ 0.0004990500000000, -0.0002078500000000, -0.0000405500000000 ] - [ -0.0000867800000000, -0.0000699200000000, 0.0001385300000000 ] - [ -0.0002351400000000, 0.0003153400000000, -0.0008364500000000 ] - [ -0.0013680000000000, 0.0015800800000000, -0.0003746200000000 ] - [ -0.0000513800000000, -0.0000573800000000, 0.0004100700000000 ] - [ 0.0001231300000000, 0.0000804000000000, 0.0002117400000000 ] - [ -0.0001663900000000, 0.0001075400000000, -0.0002305000000000 ] - [ 0.0000654500000000, -0.0000459200000000, -0.0003811600000000 ] - [ 0.0000748900000000, 0.0001121500000000, -0.0001243300000000 ] - [ 0.0000668000000000, -0.0002668000000000, -0.0005438600000000 ] - [ -0.0014310800000000, -0.0000497700000000, -0.0001971700000000 ] - [ 0.0002744700000000, -0.0001787500000000, -0.0010465000000000 ] - [ -0.0015367100000000, 0.0001795100000000, -0.0011785400000000 ] - [ 0.0004085500000000, -0.0011029900000000, 0.0010235400000000 ] - [ 0.0068435500000000, 0.0049023200000000, -0.0034689100000000 ] - [ -0.0002706800000000, 0.0001167000000000, -0.0006378300000000 ] - [ 0.0000530800000000, 0.0001249400000000, 0.0006046100000000 ] - [ -0.0002041100000000, 0.0055100300000000, -0.0003287300000000 ] - [ -0.0000362600000000, 0.0001395700000000, 0.0004357400000000 ] - [ -0.0002663500000000, -0.0000528400000000, -0.0007166500000000 ] - [ 0.0004422800000000, -0.0002755000000000, -0.0002839400000000 ] - [ 0.0064291200000000, -0.0012766600000000, 0.0024475300000000 ] - [ -0.0014346800000000, -0.0061444400000000, -0.0106104600000000 ] - [ 0.0004504500000000, 0.0008142800000000, 0.0005487200000000 ] - [ -0.0003282300000000, -0.0005762900000000, -0.0001498400000000 ] - [ -0.0002543600000000, -0.0019586300000000, -0.0015885400000000 ] - [ 0.0007730600000000, 0.0000595700000000, -0.0011080400000000 ] - [ -0.0012750500000000, -0.0007292800000000, -0.0023547900000000 ] - [ 0.0000817000000000, -0.0006956600000000, -0.0010385100000000 ] - [ -0.0000327700000000, 0.0002420000000000, -0.0006558900000000 ] - [ -0.0001029600000000, -0.0001189100000000, -0.0003614500000000 ] - [ 0.0004962100000000, 0.0009493300000000, -0.0006878200000000 ] - [ -0.0000277200000000, -0.0000854400000000, -0.0004170700000000 ] - [ 0.0000803200000000, 0.0000122100000000, -0.0000910800000000 ] - [ -0.0000688300000000, -0.0001332500000000, 0.0006468200000000 ] - [ 0.0018548300000000, 0.0007937600000000, 0.0038972500000000 ] - [ 0.0009703000000000, 0.0030140700000000, 0.0025168600000000 ] - [ 0.0000907300000000, -0.0001272400000000, -0.0001652900000000 ] - [ -0.0002933300000000, -0.0000026200000000, 0.0003349200000000 ] - [ 0.0000688500000000, -0.0004479100000000, -0.0014072100000000 ] - [ 0.0000812100000000, -0.0001221600000000, 0.0006020900000000 ] - [ -0.0002560800000000, -0.0003017600000000, 0.0002560500000000 ] - [ -0.0011463600000000, -0.0000557100000000, 0.0000238300000000 ] - [ -0.0002504600000000, -0.0000793500000000, -0.0000656000000000 ] - [ -0.0003931200000000, 0.0003297600000000, -0.0001394100000000 ] - [ -0.0004127500000000, -0.0003414200000000, -0.0018748800000000 ] - [ 0.0000335000000000, -0.0002404500000000, 0.0002771300000000 ] - [ 0.0000801700000000, -0.0001292700000000, 0.0007060900000000 ] - [ -0.0001479200000000, -0.0003147500000000, 0.0002135200000000 ] - [ 0.0010611900000000, 0.0006068600000000, -0.0021009100000000 ] - [ 0.0000400000000000, 0.0001306600000000, -0.0001157400000000 ] - [ -0.0000731200000000, 0.0000616100000000, -0.0000261800000000 ] - [ -0.0000423000000000, 0.0001398000000000, -0.0006205000000000 ] - [ 0.0014155000000000, 0.0006362100000000, 0.0028704400000000 ] - [ 0.0000487400000000, 0.0000153000000000, 0.0001659600000000 ] - [ -0.0025014100000000, -0.0010283800000000, -0.0022660300000000 ] - [ 0.0001786100000000, -0.0001917500000000, 0.0001976300000000 ] - [ 0.0000338700000000, -0.0011943000000000, 0.0004145300000000 ] - [ 0.0003913300000000, 0.0005778500000000, 0.0002878600000000 ] - [ 0.0000380300000000, -0.0002938100000000, 0.0016438200000000 ] - [ 0.0000289200000000, -0.0000588300000000, 0.0001604300000000 ] - [ -0.0002287800000000, -0.0002259200000000, -0.0000842500000000 ] - [ -0.0010868200000000, -0.0016483700000000, -0.0052302000000000 ] - [ 0.0002468800000000, 0.0000742000000000, 0.0003739000000000 ] - [ 0.0002163000000000, 0.0001023600000000, 0.0004466500000000 ] - [ 0.0006471700000000, 0.0002023100000000, 0.0005299200000000 ] - [ -0.0002847700000000, -0.0029996300000000, 0.0016504600000000 ] - [ -0.0012098500000000, -0.0031784900000000, -0.0002903400000000 ] - [ -0.0006071700000000, 0.0023086700000000, 0.0018491200000000 ] - [ -0.0006717300000000, -0.0001689600000000, -0.0007238400000000 ] - [ -0.0001612000000000, 0.0000621400000000, 0.0003457600000000 ] - [ -0.0019679000000000, -0.0007305700000000, 0.0024087200000000 ] - [ -0.0000600700000000, -0.0001989700000000, 0.0004515500000000 ] - [ -0.0002917300000000, -0.0002085000000000, 0.0002194100000000 ] - [ -0.0012934300000000, -0.0009287000000000, 0.0013548300000000 ] - [ -0.0000592200000000, -0.0000774700000000, 0.0004145400000000 ] - [ -0.0001254300000000, 0.0000292500000000, 0.0003288700000000 ] - [ 0.0001582900000000, 0.0002484600000000, 0.0003081700000000 ] - [ 0.0000915200000000, 0.0001300200000000, -0.0007214500000000 ] - [ -0.0001137700000000, 0.0001307700000000, -0.0002896900000000 ] - [ -0.0000974800000000, -0.0002554300000000, -0.0002561500000000 ] - [ -0.0001372800000000, 0.0003249600000000, 0.0007985700000000 ] - [ 0.0001083500000000, -0.0002378700000000, 0.0000151200000000 ] - [ -0.0001367400000000, 0.0003840200000000, 0.0000823200000000 ] - [ -0.0000382500000000, -0.0000896400000000, -0.0001257200000000 ] - [ 0.0000383300000000, -0.0001279600000000, 0.0001397700000000 ] - [ 0.0000569800000000, -0.0000347700000000, -0.0000207100000000 ] - [ 0.0009988400000000, -0.0011478900000000, -0.0015644000000000 ] - [ 0.0000055000000000, -0.0000118500000000, -0.0002368200000000 ] - [ 0.0002104600000000, 0.0008934900000000, 0.0000566300000000 ] - [ 0.0003125700000000, -0.0001117200000000, -0.0003236400000000 ] - [ 0.0002086000000000, -0.0000505500000000, 0.0001384200000000 ] - [ 0.0003436500000000, -0.0000859400000000, 0.0001692600000000 ] - [ 0.0001788500000000, 0.0007691600000000, 0.0011487300000000 ] - [ 0.0003325700000000, -0.0000674200000000, 0.0007371600000000 ] - [ -0.0000285400000000, 0.0000466500000000, -0.0005773200000000 ] - [ -0.0000900400000000, 0.0000333300000000, -0.0004842600000000 ] - [ -0.0010910300000000, 0.0004319800000000, -0.0002170300000000 ] - [ -0.0001719300000000, 0.0000053200000000, 0.0001912500000000 ] - [ -0.0009199700000000, -0.0003106100000000, -0.0034144100000000 ] - [ 0.0002018800000000, 0.0004180600000000, 0.0011650900000000 ] - [ -0.0019947100000000, 0.0014951400000000, -0.0011776400000000 ] - [ 0.0002681400000000, 0.0003075500000000, 0.0003065200000000 ] - [ -0.0002033700000000, -0.0000830200000000, 0.0007764900000000 ] - [ -0.0009193300000000, -0.0013508800000000, -0.0007524200000000 ] - [ -0.0004508800000000, -0.0010279400000000, -0.0001169500000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010316700000000, 0.0008880000000000, 0.0011013900000000 ] - [ 0.0003994700000000, 0.0000299400000000, -0.0000301600000000 ] - [ -0.0003180600000000, 0.0001378500000000, -0.0000055100000000 ] - [ -0.0004167000000000, -0.0002501200000000, -0.0000028000000000 ] - [ 0.0001038100000000, -0.0001452200000000, -0.0000139700000000 ] - [ 0.0002634800000000, 0.0003705800000000, -0.0002439400000000 ] - [ -0.0274324400000000, -0.0055440200000000, 0.0080174400000000 ] - [ -0.0001894100000000, -0.0001138500000000, 0.0000139400000000 ] - [ 0.0002524300000000, 0.0003268000000000, 0.0001001600000000 ] - [ 0.0000396300000000, -0.0000531900000000, -0.0000666600000000 ] - [ -0.0000489400000000, -0.0000567900000000, -0.0004084900000000 ] - [ 0.0002360500000000, 0.0000780400000000, -0.0005740500000000 ] - [ -0.0000513300000000, 0.0000438900000000, 0.0000975900000000 ] - [ 0.0003567100000000, 0.0000851500000000, 0.0001884800000000 ] - [ -0.0000230700000000, 0.0000548300000000, -0.0001057300000000 ] - [ 0.0002758300000000, -0.0001981500000000, -0.0000983300000000 ] - [ 0.0008739700000000, -0.0000099700000000, 0.0000554600000000 ] - [ 0.0001825200000000, 0.0000930900000000, -0.0000162400000000 ] - [ 0.0032741500000000, 0.0025137300000000, -0.0000206500000000 ] - [ 0.0007965300000000, -0.0002903100000000, -0.0001184900000000 ] - [ -0.0003073100000000, -0.0001147600000000, 0.0000846400000000 ] - [ 0.0002959500000000, 0.0001701200000000, 0.0001597000000000 ] - [ 0.0002803800000000, -0.0001227400000000, 0.0001604000000000 ] - [ -0.0000392200000000, -0.0000189700000000, -0.0002270000000000 ] - [ -0.0001201800000000, 0.0000179800000000, -0.0001359700000000 ] - [ 0.0022063800000000, -0.0024125400000000, 0.0014816000000000 ] - [ 0.0002055500000000, 0.0000633900000000, 0.0000424700000000 ] - [ -0.0013499200000000, 0.0005308100000000, -0.0014144300000000 ] - [ -0.0003537800000000, 0.0001054500000000, -0.0002217000000000 ] - [ -0.0018000200000000, -0.0001991800000000, -0.0001363900000000 ] - [ 0.0010353200000000, -0.0000634500000000, 0.0004342400000000 ] - [ 0.0033933400000000, -0.0030385500000000, 0.0016166800000000 ] - [ 0.0001086500000000, 0.0000720200000000, 0.0001252600000000 ] - [ 0.0001029900000000, -0.0000062900000000, -0.0001260400000000 ] - [ -0.0002299200000000, -0.0008996300000000, -0.0009932100000000 ] - [ -0.0016255800000000, 0.0002369800000000, -0.0006250000000000 ] - [ -0.0000651500000000, 0.0000107100000000, 0.0001280700000000 ] - [ 0.0000960700000000, -0.0001818500000000, -0.0000413900000000 ] - [ 0.0001466400000000, -0.0002574400000000, 0.0000744200000000 ] - [ -0.0001523500000000, 0.0003391600000000, -0.0000556600000000 ] - [ 0.0004977500000000, -0.0009888600000000, -0.0002109700000000 ] - [ -0.0000625900000000, 0.0002091500000000, 0.0000879600000000 ] - [ 0.0004547500000000, 0.0000679300000000, 0.0001621100000000 ] - [ -0.0003416600000000, 0.0007365800000000, -0.0002603800000000 ] - [ 0.0008566200000000, -0.0002948100000000, 0.0004448800000000 ] - [ 0.0001888700000000, 0.0000234200000000, 0.0000411600000000 ] - [ 0.0080618100000000, 0.0048829100000000, -0.0033360300000000 ] - [ -0.0038014700000000, 0.0060257200000000, -0.0008055200000000 ] - [ -0.0003908900000000, -0.0004278500000000, -0.0004165600000000 ] - [ -0.0033332500000000, 0.0000220800000000, -0.0002625600000000 ] - [ 0.0008805700000000, -0.0001838400000000, 0.0021793000000000 ] - [ -0.0000403200000000, -0.0000787000000000, -0.0004010800000000 ] - [ -0.0002545700000000, 0.0017860100000000, -0.0012670000000000 ] - [ -0.0004687500000000, 0.0000886700000000, -0.0002556900000000 ] - [ -0.0000409800000000, -0.0009323300000000, 0.0009980600000000 ] - [ -0.0006931800000000, 0.0003071800000000, -0.0002552500000000 ] - [ 0.0008448000000000, -0.0006537500000000, 0.0014944300000000 ] - [ -0.0006978000000000, 0.0020494200000000, 0.0008345100000000 ] - [ 0.0010471900000000, -0.0001648800000000, 0.0002966300000000 ] - [ 0.0006209700000000, 0.0001431900000000, 0.0002045100000000 ] - [ 0.0009004500000000, -0.0000728000000000, -0.0001310100000000 ] - [ 0.0017902000000000, -0.0011129000000000, -0.0000423200000000 ] - [ 0.0054608400000000, -0.0027911500000000, -0.0038377700000000 ] - [ 0.0003103800000000, -0.0003485800000000, 0.0000969400000000 ] - [ 0.0003950900000000, -0.0004647900000000, 0.0003128500000000 ] - [ 0.0071515000000000, -0.0014951300000000, -0.0043834700000000 ] - [ 0.0003257500000000, 0.0000011200000000, 0.0003704700000000 ] - [ 0.0005199600000000, -0.0003207400000000, -0.0006400800000000 ] - [ 0.0005142100000000, -0.0010421800000000, 0.0004588900000000 ] - [ -0.0015187200000000, -0.0006069800000000, 0.0028609100000000 ] - [ -0.0029632000000000, -0.0001933100000000, -0.0000303600000000 ] - [ -0.0022052800000000, 0.0014628500000000, -0.0002612500000000 ] - [ 0.0004957400000000, -0.0000548400000000, 0.0002368500000000 ] - [ 0.0004684100000000, -0.0001113600000000, 0.0005479800000000 ] - [ -0.0001941100000000, -0.0001813300000000, 0.0000603000000000 ] - [ -0.0006288600000000, 0.0004972800000000, -0.0003257100000000 ] - [ -0.0002958800000000, 0.0003850300000000, -0.0000716200000000 ] - [ -0.0002893800000000, 0.0001451100000000, -0.0002154200000000 ] - [ -0.0010723800000000, -0.0000237500000000, -0.0002032600000000 ] - [ 0.0001999100000000, 0.0000415500000000, 0.0001930500000000 ] - [ 0.0003736700000000, 0.0001802900000000, -0.0007386600000000 ] - [ -0.0003721100000000, 0.0004111200000000, -0.0000030400000000 ] - [ 0.0000114600000000, 0.0000177500000000, 0.0000085300000000 ] - [ 0.0000613900000000, -0.0004944300000000, -0.0000217500000000 ] - [ -0.0011966300000000, 0.0000717500000000, -0.0008772900000000 ] - [ 0.0001015100000000, -0.0001688000000000, 0.0003408000000000 ] - [ -0.0002670500000000, -0.0001273600000000, -0.0002080800000000 ] - [ 0.0019761000000000, 0.0007900500000000, 0.0008305300000000 ] - [ 0.0001724800000000, 0.0000788900000000, -0.0001636100000000 ] - [ -0.0005559000000000, 0.0000181000000000, -0.0007673400000000 ] - [ -0.0000305900000000, 0.0004107700000000, -0.0009830400000000 ] - [ 0.0003159800000000, -0.0000357400000000, -0.0000925000000000 ] - [ 0.0003607700000000, -0.0004704800000000, -0.0002049600000000 ] - [ -0.0004492100000000, 0.0019805600000000, 0.0013932500000000 ] - [ -0.0000296500000000, -0.0001199300000000, 0.0000680400000000 ] - [ -0.0013431400000000, 0.0000100200000000, 0.0001906600000000 ] - [ -0.0002013900000000, -0.0000794800000000, -0.0001737800000000 ] - [ 0.0002787500000000, 0.0005391500000000, 0.0001309100000000 ] - [ -0.0003976400000000, -0.0003061200000000, 0.0001533600000000 ] - [ -0.0004445900000000, -0.0007026100000000, 0.0001831100000000 ] - [ -0.0002509100000000, 0.0001618500000000, 0.0005136400000000 ] - [ -0.0002890000000000, -0.0000242700000000, 0.0001321100000000 ] - [ -0.0008620900000000, 0.0000848500000000, 0.0002448200000000 ] - [ -0.0001686000000000, 0.0003741000000000, 0.0001984800000000 ] - [ 0.0000319000000000, 0.0001514400000000, -0.0002113400000000 ] - [ -0.0004760300000000, -0.0002436300000000, 0.0002379900000000 ] - [ 0.0012652900000000, 0.0007740300000000, -0.0001971500000000 ] - [ 0.0001526300000000, -0.0002180400000000, 0.0001734000000000 ] - [ -0.0003489500000000, -0.0004726100000000, -0.0006322000000000 ] - [ -0.0007354200000000, -0.0017858800000000, 0.0009953100000000 ] - [ -0.0001324600000000, -0.0001862800000000, 0.0000983900000000 ] - [ -0.0000847500000000, -0.0007986200000000, -0.0009737900000000 ] - [ -0.0007192600000000, 0.0005943800000000, -0.0004108400000000 ] - [ 0.0002138400000000, 0.0000337800000000, 0.0000651700000000 ] - [ -0.0006884900000000, 0.0001782700000000, 0.0001011100000000 ] - [ 0.0001810800000000, -0.0000140200000000, 0.0000638000000000 ] - [ 0.0000180700000000, 0.0003128800000000, -0.0027047600000000 ] - [ -0.0004197000000000, 0.0000180500000000, 0.0001282700000000 ] - [ 0.0001802600000000, 0.0000703400000000, -0.0002895300000000 ] - [ -0.0003842400000000, 0.0005657000000000, -0.0003434600000000 ] - [ -0.0000370000000000, -0.0000372100000000, 0.0000516500000000 ] - [ -0.0005172400000000, -0.0001662600000000, -0.0002550800000000 ] - [ 0.0024878700000000, -0.0006117300000000, 0.0002023500000000 ] - [ 0.0063737100000000, 0.0027791700000000, -0.0002793600000000 ] - [ -0.0004765700000000, 0.0000218100000000, 0.0000584000000000 ] - [ 0.0011327600000000, -0.0009737200000000, -0.0003101000000000 ] - [ 0.0001537200000000, -0.0000923400000000, 0.0004303500000000 ] - [ 0.0032996800000000, -0.0005023400000000, 0.0000921000000000 ] - [ -0.0003195700000000, 0.0000440600000000, -0.0005236500000000 ] - [ 0.0002394700000000, 0.0000439400000000, -0.0002386300000000 ] - [ 0.0004799700000000, -0.0002080100000000, 0.0004273700000000 ] - [ -0.0017908100000000, -0.0003990100000000, 0.0016213900000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010145600000000, -0.0008330500000000, -0.0009780600000000 ] - [ -0.0005480100000000, 0.0000637800000000, 0.0001942300000000 ] - [ 0.0002856300000000, 0.0000752000000000, 0.0000164400000000 ] - [ 0.0002259900000000, 0.0004691400000000, -0.0000247800000000 ] - [ -0.0002974200000000, -0.0000719900000000, 0.0000414600000000 ] - [ -0.0002296300000000, -0.0001583200000000, 0.0002349300000000 ] - [ 0.0271992800000000, 0.0050091500000000, -0.0085841700000000 ] - [ 0.0003350800000000, 0.0000223200000000, -0.0001795300000000 ] - [ -0.0004466800000000, -0.0001085000000000, -0.0000732600000000 ] - [ -0.0000537200000000, 0.0000045700000000, -0.0000495900000000 ] - [ 0.0000636000000000, 0.0000081000000000, 0.0002932300000000 ] - [ -0.0002239300000000, -0.0001261500000000, 0.0006887700000000 ] - [ 0.0000391200000000, -0.0000912900000000, 0.0000196600000000 ] - [ -0.0002073400000000, -0.0001800100000000, -0.0000262400000000 ] - [ 0.0002977200000000, -0.0002161200000000, -0.0001999400000000 ] - [ -0.0002917700000000, 0.0002456600000000, -0.0000185400000000 ] - [ -0.0010221700000000, -0.0000820600000000, 0.0001057500000000 ] - [ -0.0002161300000000, 0.0001208200000000, 0.0000065800000000 ] - [ -0.0031056500000000, -0.0023245000000000, 0.0000484800000000 ] - [ -0.0008296500000000, 0.0000749900000000, 0.0001055300000000 ] - [ 0.0001159500000000, -0.0001027500000000, -0.0001107300000000 ] - [ -0.0000189100000000, -0.0000067900000000, 0.0001455000000000 ] - [ -0.0000029400000000, -0.0000405600000000, 0.0001442000000000 ] - [ 0.0003145700000000, 0.0001826600000000, -0.0000778300000000 ] - [ 0.0002666000000000, 0.0000771800000000, -0.0000255400000000 ] - [ -0.0022063600000000, 0.0024851000000000, -0.0016126600000000 ] - [ -0.0000569700000000, 0.0000300800000000, 0.0001209700000000 ] - [ 0.0013262000000000, -0.0007430500000000, 0.0014103100000000 ] - [ 0.0000775800000000, 0.0000581600000000, -0.0000829900000000 ] - [ 0.0016520100000000, 0.0000994500000000, -0.0000341700000000 ] - [ -0.0013112600000000, -0.0001010200000000, -0.0001268500000000 ] - [ -0.0031711200000000, 0.0032109400000000, -0.0016218100000000 ] - [ -0.0003854500000000, 0.0000923500000000, 0.0001795400000000 ] - [ 0.0000895000000000, -0.0002100400000000, 0.0000989100000000 ] - [ 0.0002555900000000, 0.0011111200000000, 0.0010049000000000 ] - [ 0.0014744900000000, -0.0001498500000000, 0.0004771400000000 ] - [ 0.0000974100000000, -0.0002229300000000, -0.0001180100000000 ] - [ 0.0000975100000000, -0.0000341800000000, 0.0000688900000000 ] - [ -0.0001127400000000, 0.0000461200000000, -0.0000851300000000 ] - [ 0.0001439800000000, -0.0002908700000000, 0.0001702700000000 ] - [ -0.0005934200000000, 0.0014275000000000, 0.0008490100000000 ] - [ -0.0000404100000000, -0.0006910200000000, -0.0004852600000000 ] - [ -0.0003570300000000, 0.0004114800000000, 0.0002364400000000 ] - [ 0.0004495200000000, -0.0002450800000000, -0.0001351500000000 ] - [ -0.0007606200000000, 0.0007274600000000, 0.0001933000000000 ] - [ -0.0004968700000000, 0.0000404900000000, 0.0002385300000000 ] - [ -0.0080863700000000, -0.0043350500000000, 0.0028695200000000 ] - [ 0.0040878500000000, -0.0060861300000000, 0.0005238200000000 ] - [ 0.0004911400000000, -0.0000036500000000, -0.0002200900000000 ] - [ 0.0030044000000000, -0.0000231600000000, -0.0000122400000000 ] - [ -0.0009668000000000, -0.0002592500000000, -0.0015567700000000 ] - [ 0.0001447500000000, -0.0004019800000000, 0.0000000600000000 ] - [ 0.0001515600000000, -0.0013468800000000, 0.0006305800000000 ] - [ 0.0001595600000000, -0.0000240400000000, -0.0000232800000000 ] - [ -0.0000559100000000, 0.0004504600000000, -0.0006018700000000 ] - [ 0.0010001400000000, -0.0002444100000000, -0.0000214700000000 ] - [ -0.0009442900000000, 0.0002199000000000, -0.0021275100000000 ] - [ 0.0008296500000000, -0.0016120900000000, -0.0014401200000000 ] - [ -0.0007377000000000, 0.0002284200000000, -0.0000179800000000 ] - [ -0.0005243700000000, -0.0005767500000000, 0.0004311800000000 ] - [ -0.0012107300000000, 0.0000055700000000, 0.0004128400000000 ] - [ -0.0014831500000000, 0.0010563100000000, 0.0003224600000000 ] - [ -0.0055908600000000, 0.0032894100000000, 0.0042764500000000 ] - [ -0.0002119800000000, -0.0001332100000000, 0.0003013400000000 ] - [ -0.0001849500000000, 0.0002975500000000, -0.0006220200000000 ] - [ -0.0077764800000000, 0.0018901600000000, 0.0044663800000000 ] - [ -0.0002080400000000, 0.0000812600000000, 0.0002600700000000 ] - [ -0.0007293200000000, 0.0001508000000000, 0.0003181300000000 ] - [ -0.0004710100000000, 0.0009988000000000, -0.0003788700000000 ] - [ 0.0014117500000000, 0.0000912000000000, -0.0031297100000000 ] - [ 0.0026520800000000, 0.0004603200000000, 0.0002584900000000 ] - [ 0.0023257000000000, -0.0015487800000000, -0.0003752200000000 ] - [ -0.0007995600000000, 0.0000103100000000, -0.0004177100000000 ] - [ -0.0003585400000000, -0.0001082000000000, -0.0000643400000000 ] - [ 0.0000151000000000, -0.0000434100000000, -0.0000708000000000 ] - [ 0.0007381400000000, -0.0002819100000000, -0.0001586600000000 ] - [ 0.0001172200000000, -0.0001589700000000, 0.0000605900000000 ] - [ 0.0001743200000000, -0.0000634300000000, -0.0004174000000000 ] - [ 0.0009662500000000, 0.0002469100000000, -0.0002826100000000 ] - [ -0.0002410800000000, 0.0000010500000000, -0.0001112400000000 ] - [ -0.0003311700000000, -0.0001358300000000, 0.0008182600000000 ] - [ 0.0004110600000000, -0.0004572000000000, -0.0000816000000000 ] - [ 0.0002865700000000, -0.0002932700000000, -0.0002272900000000 ] - [ -0.0002516200000000, 0.0007123900000000, 0.0000302300000000 ] - [ 0.0014083600000000, 0.0000979600000000, 0.0011963700000000 ] - [ -0.0002095500000000, -0.0000527700000000, 0.0001468000000000 ] - [ 0.0003750400000000, -0.0000929600000000, -0.0002799300000000 ] - [ -0.0020198300000000, -0.0008661200000000, -0.0007676800000000 ] - [ -0.0003816300000000, 0.0000866600000000, -0.0001438000000000 ] - [ 0.0005942700000000, 0.0000271100000000, 0.0006878700000000 ] - [ 0.0002058400000000, -0.0006343200000000, 0.0009760600000000 ] - [ -0.0000109300000000, -0.0000102000000000, -0.0000884400000000 ] - [ -0.0002039500000000, -0.0000673300000000, -0.0000641800000000 ] - [ 0.0006295800000000, -0.0017584300000000, -0.0014074600000000 ] - [ -0.0001502200000000, -0.0001058000000000, -0.0000574100000000 ] - [ 0.0010396000000000, 0.0000336700000000, -0.0000111100000000 ] - [ 0.0000928200000000, -0.0001406400000000, -0.0003124000000000 ] - [ -0.0002811300000000, -0.0005420600000000, -0.0001315700000000 ] - [ 0.0001026800000000, 0.0000305400000000, 0.0000649300000000 ] - [ 0.0004459400000000, 0.0007021400000000, -0.0001827000000000 ] - [ 0.0004571900000000, -0.0003303700000000, -0.0002043500000000 ] - [ 0.0002486000000000, 0.0000685200000000, -0.0002141300000000 ] - [ 0.0005589700000000, -0.0001304900000000, -0.0000627200000000 ] - [ 0.0003268100000000, 0.0001602200000000, 0.0000680100000000 ] - [ 0.0002673000000000, 0.0001240400000000, -0.0000063200000000 ] - [ 0.0007792300000000, 0.0002925300000000, -0.0000589300000000 ] - [ -0.0009455100000000, -0.0007331100000000, 0.0000117800000000 ] - [ 0.0001392400000000, -0.0000561200000000, 0.0000462100000000 ] - [ 0.0005311700000000, 0.0002486900000000, 0.0006424700000000 ] - [ 0.0009189600000000, 0.0020039300000000, -0.0009814800000000 ] - [ 0.0002897900000000, -0.0003456200000000, 0.0001665100000000 ] - [ 0.0000691700000000, 0.0008102300000000, 0.0009745700000000 ] - [ 0.0007213800000000, -0.0005952700000000, 0.0004095300000000 ] - [ 0.0000797600000000, 0.0002401000000000, 0.0001525400000000 ] - [ 0.0006479300000000, -0.0002216200000000, -0.0001851300000000 ] - [ -0.0000266500000000, 0.0005437400000000, -0.0003264300000000 ] - [ 0.0002048300000000, -0.0001439300000000, 0.0023970400000000 ] - [ 0.0002118900000000, 0.0001481300000000, 0.0001802400000000 ] - [ -0.0003358200000000, 0.0004621300000000, 0.0000229100000000 ] - [ 0.0002266100000000, -0.0000348400000000, 0.0006131000000000 ] - [ 0.0003380500000000, -0.0000093600000000, 0.0001284600000000 ] - [ 0.0004036100000000, 0.0000873100000000, -0.0003777900000000 ] - [ -0.0025933400000000, 0.0008141600000000, 0.0002978500000000 ] - [ -0.0060698300000000, -0.0026497600000000, 0.0008769700000000 ] - [ 0.0002694800000000, -0.0001883100000000, 0.0002500200000000 ] - [ -0.0010196500000000, 0.0011931300000000, 0.0007998100000000 ] - [ -0.0002694800000000, 0.0001736300000000, 0.0002016300000000 ] - [ -0.0035988600000000, 0.0005521000000000, -0.0002697800000000 ] - [ 0.0004343000000000, 0.0000378300000000, -0.0001084000000000 ] - [ -0.0005386600000000, -0.0003191000000000, 0.0000205200000000 ] - [ -0.0006035100000000, 0.0001100000000000, 0.0002027800000000 ] - [ 0.0016302700000000, -0.0001369100000000, -0.0013571100000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009884700000000, -0.0000212300000000, 0.0009059200000000 ] - [ -0.0000935900000000, -0.0000931500000000, 0.0001638400000000 ] - [ -0.0001722700000000, 0.0008897900000000, -0.0006774100000000 ] - [ -0.0007009900000000, 0.0013340900000000, 0.0004063000000000 ] - [ -0.0001326300000000, -0.0002767400000000, -0.0000125300000000 ] - [ 0.0000961200000000, -0.0001026700000000, -0.0000912700000000 ] - [ -0.0055132600000000, -0.0323210000000000, -0.0033885400000000 ] - [ -0.0001667500000000, 0.0006815400000000, -0.0007513700000000 ] - [ 0.0002058300000000, 0.0005429000000000, 0.0000375600000000 ] - [ -0.0000265500000000, 0.0001080600000000, -0.0000950200000000 ] - [ 0.0000038600000000, -0.0002055000000000, 0.0000270300000000 ] - [ 0.0001326100000000, -0.0002461400000000, -0.0001792500000000 ] - [ 0.0001059200000000, 0.0003041400000000, 0.0002564400000000 ] - [ 0.0002997300000000, 0.0001321600000000, 0.0001929000000000 ] - [ 0.0000029200000000, 0.0014415300000000, -0.0001959500000000 ] - [ -0.0005251200000000, 0.0004138600000000, 0.0000390300000000 ] - [ -0.0000529700000000, -0.0001702900000000, -0.0000548500000000 ] - [ 0.0000076000000000, 0.0002855200000000, 0.0000680500000000 ] - [ 0.0025998000000000, 0.0000626800000000, -0.0001971100000000 ] - [ 0.0000301600000000, -0.0004613500000000, 0.0000502300000000 ] - [ -0.0000629600000000, -0.0004520000000000, 0.0002204800000000 ] - [ 0.0002264800000000, 0.0000584600000000, 0.0002079500000000 ] - [ 0.0001789500000000, 0.0003427200000000, 0.0001347600000000 ] - [ 0.0000374000000000, 0.0000583500000000, -0.0001088400000000 ] - [ -0.0000726500000000, 0.0006270300000000, 0.0002529700000000 ] - [ -0.0031038900000000, 0.0003349800000000, -0.0009229800000000 ] - [ 0.0001125700000000, 0.0001915500000000, 0.0000210200000000 ] - [ 0.0004471900000000, -0.0010744900000000, -0.0023661600000000 ] - [ -0.0001618300000000, 0.0001603400000000, -0.0001769900000000 ] - [ 0.0000877500000000, 0.0003205400000000, 0.0027199900000000 ] - [ -0.0001186100000000, -0.0006146100000000, 0.0001727600000000 ] - [ -0.0034004300000000, -0.0000418700000000, -0.0010064200000000 ] - [ -0.0001280600000000, 0.0001313500000000, 0.0001004500000000 ] - [ 0.0001208500000000, 0.0001354900000000, -0.0001254200000000 ] - [ -0.0008124700000000, -0.0001838800000000, 0.0012501900000000 ] - [ -0.0001177400000000, -0.0008919300000000, -0.0019128600000000 ] - [ 0.0001061300000000, 0.0004903200000000, 0.0003237500000000 ] - [ 0.0000701300000000, 0.0000945700000000, 0.0000177400000000 ] - [ -0.0000427000000000, 0.0003150100000000, -0.0000629800000000 ] - [ 0.0005401300000000, 0.0006576700000000, -0.0004592600000000 ] - [ -0.0002513400000000, 0.0007901600000000, 0.0008071600000000 ] - [ 0.0001710000000000, -0.0008727200000000, 0.0000668400000000 ] - [ -0.0000602700000000, 0.0008483100000000, 0.0000147600000000 ] - [ 0.0011803200000000, 0.0028638300000000, 0.0006476600000000 ] - [ -0.0000802400000000, 0.0000882500000000, -0.0001409000000000 ] - [ -0.0000576600000000, 0.0004315200000000, 0.0001213500000000 ] - [ 0.0055612900000000, -0.0026182700000000, -0.0041709500000000 ] - [ 0.0060885500000000, 0.0114380300000000, -0.0009378300000000 ] - [ 0.0000697100000000, 0.0006478600000000, -0.0001625000000000 ] - [ -0.0012214100000000, 0.0129587000000000, 0.0016867600000000 ] - [ 0.0010535300000000, -0.0027744900000000, 0.0008229300000000 ] - [ 0.0002964500000000, 0.0003840200000000, -0.0004904500000000 ] - [ 0.0013392800000000, 0.0009430800000000, -0.0020833800000000 ] - [ -0.0002310500000000, 0.0006039800000000, -0.0001472400000000 ] - [ -0.0002690700000000, -0.0007963600000000, -0.0001577200000000 ] - [ 0.0001068800000000, -0.0005183100000000, -0.0002911000000000 ] - [ -0.0002366600000000, -0.0009086400000000, -0.0007026300000000 ] - [ 0.0038898200000000, 0.0022846100000000, 0.0047742500000000 ] - [ 0.0002611700000000, -0.0005381500000000, 0.0002536700000000 ] - [ 0.0004496800000000, 0.0008854500000000, 0.0001663900000000 ] - [ 0.0000496600000000, 0.0000954300000000, -0.0000419400000000 ] - [ -0.0000393300000000, 0.0002770800000000, 0.0003479500000000 ] - [ -0.0015558800000000, 0.0001930600000000, 0.0015587500000000 ] - [ -0.0001252000000000, 0.0001758000000000, 0.0002557200000000 ] - [ -0.0001788900000000, -0.0002550000000000, 0.0006031200000000 ] - [ -0.0021684700000000, 0.0033127100000000, 0.0014670000000000 ] - [ 0.0002240300000000, 0.0004485400000000, 0.0002977900000000 ] - [ -0.0003244200000000, -0.0006134000000000, -0.0020719700000000 ] - [ -0.0018024100000000, -0.0017493600000000, 0.0015219700000000 ] - [ -0.0003691500000000, 0.0027612300000000, 0.0011572700000000 ] - [ -0.0014175800000000, 0.0015436800000000, 0.0000436900000000 ] - [ 0.0005237700000000, -0.0000837700000000, -0.0006491300000000 ] - [ -0.0001140400000000, 0.0005536400000000, -0.0000798600000000 ] - [ 0.0000330100000000, 0.0004714300000000, 0.0002370700000000 ] - [ 0.0000685400000000, -0.0006457500000000, 0.0000520400000000 ] - [ 0.0002523500000000, -0.0002135400000000, -0.0003221600000000 ] - [ 0.0001726400000000, -0.0000904600000000, 0.0001404900000000 ] - [ 0.0000718200000000, -0.0002236100000000, -0.0003669800000000 ] - [ -0.0003011500000000, 0.0001371200000000, -0.0002191000000000 ] - [ -0.0000384100000000, -0.0003130900000000, -0.0000411700000000 ] - [ 0.0000408400000000, 0.0003435200000000, 0.0002071700000000 ] - [ 0.0000688800000000, -0.0003014400000000, -0.0002275500000000 ] - [ 0.0003621300000000, -0.0003066600000000, -0.0002345700000000 ] - [ -0.0011819500000000, -0.0015182200000000, -0.0004618800000000 ] - [ -0.0001672000000000, 0.0012321200000000, 0.0001599700000000 ] - [ -0.0000718200000000, -0.0005852500000000, 0.0003770100000000 ] - [ 0.0000157100000000, 0.0001471300000000, -0.0002407600000000 ] - [ -0.0000133400000000, 0.0035053000000000, 0.0002745400000000 ] - [ -0.0001042800000000, -0.0007514900000000, -0.0002678600000000 ] - [ -0.0003587400000000, 0.0005584400000000, -0.0003705600000000 ] - [ 0.0004980100000000, 0.0009588700000000, 0.0000765600000000 ] - [ 0.0001746600000000, -0.0003967700000000, -0.0000032700000000 ] - [ 0.0002118700000000, -0.0017144300000000, -0.0006432300000000 ] - [ 0.0005678800000000, -0.0000520600000000, -0.0003713700000000 ] - [ -0.0000461400000000, -0.0006709800000000, -0.0000262900000000 ] - [ -0.0002736500000000, -0.0000309300000000, -0.0000377500000000 ] - [ -0.0000816400000000, -0.0003330100000000, -0.0002808900000000 ] - [ -0.0001928000000000, -0.0005341400000000, -0.0001914200000000 ] - [ -0.0002692600000000, -0.0000390500000000, 0.0000531100000000 ] - [ -0.0008562100000000, -0.0009857900000000, 0.0003575100000000 ] - [ 0.0001985100000000, -0.0001824200000000, -0.0000619600000000 ] - [ -0.0001866000000000, -0.0002883400000000, 0.0000970000000000 ] - [ -0.0003141400000000, 0.0002519800000000, 0.0001452300000000 ] - [ 0.0001589100000000, 0.0002395100000000, -0.0000255100000000 ] - [ 0.0002400300000000, -0.0005004500000000, -0.0000617600000000 ] - [ -0.0001868700000000, -0.0001137500000000, 0.0002655400000000 ] - [ 0.0021213700000000, -0.0025162000000000, -0.0013501000000000 ] - [ -0.0000310600000000, -0.0002426000000000, 0.0001531300000000 ] - [ 0.0002642800000000, 0.0004769300000000, 0.0001327500000000 ] - [ -0.0007970900000000, 0.0001219200000000, 0.0010347800000000 ] - [ 0.0001580100000000, -0.0006414400000000, 0.0002674600000000 ] - [ -0.0020890300000000, 0.0014723900000000, -0.0012554000000000 ] - [ -0.0001127200000000, 0.0003868300000000, 0.0002462600000000 ] - [ -0.0004222500000000, -0.0008798800000000, 0.0002627400000000 ] - [ 0.0000529800000000, 0.0000847500000000, 0.0001968100000000 ] - [ -0.0001494200000000, -0.0000749300000000, 0.0004112900000000 ] - [ 0.0002950800000000, 0.0018510300000000, 0.0001368900000000 ] - [ -0.0001993800000000, -0.0004473300000000, 0.0001315500000000 ] - [ -0.0004334100000000, 0.0003182100000000, -0.0006345900000000 ] - [ 0.0001362700000000, 0.0002701700000000, 0.0006196200000000 ] - [ 0.0000020300000000, -0.0002852600000000, 0.0000419300000000 ] - [ -0.0001287300000000, -0.0003468100000000, -0.0001739300000000 ] - [ 0.0004399500000000, -0.0000310900000000, 0.0014954800000000 ] - [ 0.0019925500000000, 0.0057232500000000, 0.0009957900000000 ] - [ -0.0000629700000000, -0.0000588500000000, 0.0003286800000000 ] - [ -0.0009706500000000, -0.0026225300000000, -0.0012071400000000 ] - [ 0.0001284100000000, -0.0003934900000000, 0.0003747200000000 ] - [ 0.0004602100000000, -0.0023789600000000, 0.0013644000000000 ] - [ 0.0002826000000000, 0.0004338700000000, -0.0001944100000000 ] - [ 0.0000494000000000, -0.0000383200000000, 0.0001296400000000 ] - [ -0.0016181900000000, -0.0032714200000000, -0.0003525800000000 ] - [ 0.0003829600000000, 0.0002776800000000, -0.0004145500000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009744300000000, 0.0000651300000000, -0.0007892300000000 ] - [ -0.0000537700000000, 0.0001864700000000, -0.0000019200000000 ] - [ 0.0001387900000000, -0.0006770400000000, 0.0006846600000000 ] - [ 0.0005039500000000, -0.0011145700000000, -0.0004314000000000 ] - [ -0.0000603600000000, 0.0000609500000000, 0.0000392800000000 ] - [ -0.0000623100000000, 0.0003183700000000, 0.0000802400000000 ] - [ 0.0050428600000000, 0.0323762700000000, 0.0032327100000000 ] - [ 0.0003158100000000, -0.0007766900000000, 0.0005924500000000 ] - [ -0.0003972900000000, -0.0003279000000000, -0.0000101900000000 ] - [ 0.0000135800000000, -0.0001562800000000, -0.0000209300000000 ] - [ 0.0000093600000000, 0.0001567800000000, -0.0001453000000000 ] - [ -0.0001197700000000, 0.0001972900000000, 0.0002961500000000 ] - [ -0.0001199600000000, -0.0003528500000000, -0.0001420400000000 ] - [ -0.0001521800000000, -0.0002252900000000, -0.0000301400000000 ] - [ 0.0002738700000000, -0.0016068200000000, -0.0001088700000000 ] - [ 0.0005154600000000, -0.0003660700000000, -0.0001549700000000 ] - [ -0.0000959800000000, 0.0000758700000000, 0.0002182800000000 ] - [ -0.0000405800000000, -0.0000735700000000, -0.0000783300000000 ] - [ -0.0024132200000000, 0.0001670200000000, 0.0002261400000000 ] - [ -0.0000636300000000, 0.0002502300000000, -0.0000601700000000 ] - [ -0.0001301500000000, 0.0002370900000000, -0.0002490200000000 ] - [ 0.0000495500000000, 0.0001063000000000, 0.0000967600000000 ] - [ 0.0000967100000000, -0.0005075400000000, 0.0001709600000000 ] - [ 0.0002389400000000, 0.0001067800000000, -0.0001972700000000 ] - [ 0.0002214200000000, -0.0005346400000000, -0.0004185800000000 ] - [ 0.0031028000000000, -0.0002966200000000, 0.0008066300000000 ] - [ 0.0000355600000000, -0.0000979000000000, 0.0001419900000000 ] - [ -0.0004807200000000, 0.0008811100000000, 0.0023710300000000 ] - [ -0.0001144000000000, 0.0000019700000000, -0.0001284200000000 ] - [ -0.0002383700000000, -0.0004256100000000, -0.0028714900000000 ] - [ -0.0001561100000000, 0.0004524600000000, 0.0001331600000000 ] - [ 0.0036101700000000, 0.0002737600000000, 0.0009864800000000 ] - [ -0.0001482900000000, 0.0000315400000000, 0.0002043500000000 ] - [ 0.0000723800000000, -0.0003531600000000, 0.0000976800000000 ] - [ 0.0008489900000000, 0.0004033200000000, -0.0012446300000000 ] - [ -0.0000297500000000, 0.0009756500000000, 0.0017548000000000 ] - [ -0.0000721600000000, -0.0007038900000000, -0.0003111100000000 ] - [ 0.0001226200000000, -0.0003122300000000, 0.0000090100000000 ] - [ 0.0000753700000000, -0.0005293200000000, 0.0000527000000000 ] - [ -0.0005562100000000, -0.0006111100000000, 0.0005786200000000 ] - [ 0.0001554500000000, -0.0003642300000000, -0.0001746300000000 ] - [ -0.0002714900000000, 0.0003865900000000, -0.0004660200000000 ] - [ 0.0001642200000000, -0.0003648700000000, 0.0003859700000000 ] - [ -0.0010882200000000, -0.0023865000000000, -0.0010508300000000 ] - [ 0.0001770800000000, 0.0003516100000000, 0.0007779600000000 ] - [ -0.0002518300000000, -0.0003685500000000, 0.0001563500000000 ] - [ -0.0056653500000000, 0.0030779800000000, 0.0037708000000000 ] - [ -0.0056978300000000, -0.0113512300000000, 0.0006212300000000 ] - [ 0.0000244700000000, -0.0010848800000000, -0.0004705200000000 ] - [ 0.0009195400000000, -0.0132264000000000, -0.0019720700000000 ] - [ -0.0011527200000000, 0.0023497000000000, -0.0001823700000000 ] - [ -0.0001947300000000, -0.0008654400000000, 0.0000908300000000 ] - [ -0.0014303500000000, -0.0005155600000000, 0.0014452400000000 ] - [ -0.0000793800000000, -0.0005399700000000, -0.0001325800000000 ] - [ 0.0001685700000000, 0.0003105800000000, 0.0005562500000000 ] - [ 0.0002038800000000, 0.0005820100000000, 0.0000092000000000 ] - [ 0.0001308300000000, 0.0004800600000000, 0.0000564500000000 ] - [ -0.0038126500000000, -0.0018657500000000, -0.0054349500000000 ] - [ 0.0000482200000000, 0.0006030700000000, 0.0000251900000000 ] - [ -0.0003513900000000, -0.0013216000000000, 0.0004686200000000 ] - [ -0.0003590600000000, -0.0001566000000000, 0.0003213700000000 ] - [ 0.0003531000000000, -0.0003486600000000, -0.0000684600000000 ] - [ 0.0014840800000000, 0.0002631000000000, -0.0011790700000000 ] - [ 0.0002272600000000, -0.0006574000000000, 0.0001415400000000 ] - [ 0.0003846500000000, 0.0000901200000000, -0.0009114600000000 ] - [ 0.0018396800000000, -0.0030432600000000, -0.0016600500000000 ] - [ -0.0001091400000000, -0.0003631300000000, 0.0003372900000000 ] - [ 0.0001199800000000, 0.0004476600000000, 0.0017696400000000 ] - [ 0.0018361000000000, 0.0017042700000000, -0.0014345100000000 ] - [ 0.0002209600000000, -0.0032892100000000, -0.0014280600000000 ] - [ 0.0011262000000000, -0.0012661000000000, 0.0001772300000000 ] - [ -0.0004209200000000, 0.0000108900000000, 0.0000103900000000 ] - [ -0.0001921600000000, -0.0005980100000000, -0.0001001800000000 ] - [ 0.0000753100000000, -0.0006924500000000, 0.0002517200000000 ] - [ -0.0002493100000000, 0.0004226600000000, -0.0000632700000000 ] - [ -0.0001444500000000, 0.0004345400000000, -0.0001650300000000 ] - [ -0.0003538300000000, 0.0003115300000000, -0.0001539400000000 ] - [ -0.0001870900000000, 0.0003087400000000, -0.0002681100000000 ] - [ 0.0001921100000000, 0.0000796700000000, -0.0002669000000000 ] - [ -0.0000015000000000, 0.0003595700000000, 0.0001235200000000 ] - [ -0.0000003000000000, -0.0002990000000000, -0.0001188200000000 ] - [ -0.0000289100000000, 0.0002592200000000, 0.0001445000000000 ] - [ -0.0000668500000000, 0.0000308200000000, 0.0000168500000000 ] - [ 0.0010045300000000, 0.0017441000000000, 0.0004766400000000 ] - [ 0.0003735900000000, -0.0010664700000000, 0.0001445100000000 ] - [ -0.0000364600000000, 0.0003660200000000, 0.0001133500000000 ] - [ 0.0000925100000000, -0.0003681800000000, -0.0002473600000000 ] - [ -0.0000898900000000, -0.0038152500000000, -0.0003307300000000 ] - [ -0.0001022500000000, 0.0009197800000000, -0.0000435400000000 ] - [ 0.0004004100000000, -0.0005142800000000, 0.0002879900000000 ] - [ -0.0003201800000000, -0.0011811900000000, -0.0000905800000000 ] - [ 0.0001321100000000, 0.0003525200000000, -0.0001790100000000 ] - [ -0.0000520500000000, 0.0011809600000000, 0.0003782300000000 ] - [ -0.0003904300000000, 0.0002894000000000, 0.0003672000000000 ] - [ -0.0001316300000000, 0.0004476200000000, 0.0000371100000000 ] - [ -0.0000347700000000, 0.0000781900000000, 0.0002192300000000 ] - [ -0.0000269600000000, 0.0001149200000000, -0.0002050100000000 ] - [ 0.0001959500000000, 0.0005388700000000, 0.0001911400000000 ] - [ -0.0000264600000000, -0.0002348900000000, 0.0001662000000000 ] - [ 0.0008558600000000, 0.0009880500000000, -0.0003568200000000 ] - [ 0.0000070400000000, 0.0000169800000000, 0.0003740200000000 ] - [ 0.0001455700000000, 0.0003361900000000, -0.0001788000000000 ] - [ 0.0000092600000000, -0.0002971100000000, 0.0000356300000000 ] - [ -0.0000022800000000, 0.0002931800000000, 0.0002916000000000 ] - [ 0.0000528900000000, 0.0007760500000000, -0.0001591000000000 ] - [ 0.0004933800000000, 0.0001570600000000, -0.0000844600000000 ] - [ -0.0018287900000000, 0.0025823100000000, 0.0011764300000000 ] - [ 0.0003256400000000, -0.0000328300000000, 0.0000669800000000 ] - [ -0.0000824700000000, -0.0006972100000000, -0.0001166200000000 ] - [ 0.0009777200000000, 0.0001082100000000, -0.0010265300000000 ] - [ -0.0000024500000000, 0.0001088700000000, -0.0000036600000000 ] - [ 0.0020996100000000, -0.0014848700000000, 0.0012604600000000 ] - [ 0.0001184800000000, -0.0003935300000000, -0.0002451700000000 ] - [ 0.0007233700000000, 0.0011579600000000, -0.0000456000000000 ] - [ -0.0000939000000000, -0.0001341100000000, -0.0002802300000000 ] - [ 0.0003058800000000, 0.0006040300000000, -0.0006765300000000 ] - [ -0.0000743400000000, -0.0016898200000000, -0.0004297500000000 ] - [ -0.0000092300000000, 0.0006155300000000, 0.0001767900000000 ] - [ 0.0002756100000000, 0.0002184100000000, 0.0003688600000000 ] - [ -0.0002930400000000, 0.0002646100000000, -0.0003536400000000 ] - [ 0.0003032100000000, 0.0002407000000000, 0.0001395000000000 ] - [ 0.0000123700000000, 0.0002609500000000, -0.0004621300000000 ] - [ -0.0005375000000000, 0.0000379000000000, -0.0009684200000000 ] - [ -0.0016898800000000, -0.0056143400000000, -0.0003880400000000 ] - [ -0.0001445000000000, -0.0001101000000000, -0.0000195300000000 ] - [ 0.0010676700000000, 0.0028257900000000, 0.0016914200000000 ] - [ -0.0002431600000000, 0.0004781300000000, 0.0002612500000000 ] - [ -0.0007521400000000, 0.0025582700000000, -0.0015639500000000 ] - [ -0.0001684400000000, -0.0003484800000000, -0.0004407700000000 ] - [ -0.0003451300000000, -0.0002350300000000, -0.0003479100000000 ] - [ 0.0015095400000000, 0.0032001300000000, 0.0009893900000000 ] - [ -0.0005546700000000, -0.0008148100000000, 0.0006935700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007396600000000, 0.0005597400000000, -0.0003653400000000 ] - [ -0.0001390500000000, 0.0000817300000000, 0.0002972200000000 ] - [ 0.0000762900000000, -0.0002743800000000, 0.0001701400000000 ] - [ -0.0000556800000000, 0.0002972800000000, -0.0004405600000000 ] - [ -0.0000872900000000, -0.0000977800000000, 0.0003968100000000 ] - [ -0.0001909500000000, -0.0001060200000000, 0.0002617600000000 ] - [ 0.0082897600000000, -0.0033652300000000, -0.0161620400000000 ] - [ 0.0002093500000000, -0.0004348500000000, -0.0000470400000000 ] - [ -0.0001891000000000, 0.0000733500000000, -0.0002440900000000 ] - [ -0.0000095600000000, -0.0000508500000000, 0.0001221800000000 ] - [ -0.0001356700000000, 0.0000611400000000, 0.0005993200000000 ] - [ -0.0003248100000000, -0.0001519200000000, 0.0007790100000000 ] - [ 0.0000696600000000, 0.0000680100000000, 0.0002838800000000 ] - [ 0.0001409400000000, -0.0000052900000000, -0.0000345900000000 ] - [ 0.0000907700000000, -0.0001259000000000, -0.0004039900000000 ] - [ -0.0000988200000000, 0.0000578400000000, -0.0002950000000000 ] - [ -0.0002084400000000, -0.0001522100000000, -0.0000482300000000 ] - [ -0.0000249000000000, 0.0001984200000000, 0.0000819200000000 ] - [ -0.0003509800000000, -0.0003073600000000, -0.0012837000000000 ] - [ -0.0002659100000000, 0.0000650200000000, -0.0001171700000000 ] - [ -0.0000178100000000, -0.0000804600000000, 0.0006705900000000 ] - [ 0.0001451200000000, 0.0001373200000000, 0.0003702000000000 ] - [ 0.0001465800000000, -0.0000639600000000, 0.0000059200000000 ] - [ 0.0002130100000000, 0.0000367800000000, 0.0002955400000000 ] - [ 0.0000257000000000, 0.0002120900000000, 0.0000311400000000 ] - [ 0.0010708100000000, -0.0004023500000000, -0.0013775000000000 ] - [ 0.0000387100000000, 0.0000065100000000, 0.0001696200000000 ] - [ -0.0007938300000000, -0.0022946900000000, 0.0042412500000000 ] - [ -0.0002075500000000, 0.0001074300000000, 0.0003914300000000 ] - [ 0.0004500100000000, 0.0023504700000000, 0.0022181300000000 ] - [ -0.0004190000000000, -0.0001018100000000, -0.0002588800000000 ] - [ 0.0014927800000000, -0.0006681000000000, -0.0014156800000000 ] - [ -0.0001110900000000, 0.0000302300000000, 0.0003744000000000 ] - [ 0.0000655100000000, -0.0001483100000000, 0.0002515800000000 ] - [ -0.0006919800000000, 0.0013334100000000, 0.0012603200000000 ] - [ 0.0000766400000000, -0.0014002500000000, 0.0035577500000000 ] - [ 0.0000784200000000, 0.0000590700000000, -0.0000365900000000 ] - [ 0.0001176600000000, -0.0001108800000000, 0.0002579500000000 ] - [ 0.0000725000000000, -0.0001530700000000, -0.0000919300000000 ] - [ -0.0001208200000000, -0.0002891900000000, -0.0001517300000000 ] - [ -0.0007257000000000, 0.0013088000000000, 0.0007495000000000 ] - [ -0.0000004100000000, 0.0001317600000000, 0.0008727000000000 ] - [ 0.0000828600000000, -0.0000017500000000, -0.0000140300000000 ] - [ 0.0001057500000000, 0.0007918500000000, -0.0008187300000000 ] - [ 0.0006256000000000, -0.0005122600000000, 0.0002672100000000 ] - [ -0.0002221500000000, 0.0000932100000000, 0.0004411700000000 ] - [ -0.0045429000000000, -0.0029895400000000, -0.0024095900000000 ] - [ -0.0004107300000000, -0.0021483700000000, -0.0030741700000000 ] - [ 0.0002925800000000, -0.0000396500000000, -0.0001426100000000 ] - [ -0.0011543000000000, 0.0015975600000000, -0.0052856300000000 ] - [ 0.0019748500000000, -0.0004179000000000, 0.0006183300000000 ] - [ -0.0002751000000000, -0.0006805900000000, 0.0005797900000000 ] - [ -0.0002353100000000, -0.0007493900000000, -0.0002398300000000 ] - [ -0.0000127100000000, -0.0000726700000000, 0.0003524700000000 ] - [ 0.0006200400000000, -0.0010859200000000, 0.0009470300000000 ] - [ 0.0003022800000000, -0.0000423000000000, 0.0019787800000000 ] - [ 0.0016669900000000, -0.0008537300000000, 0.0024311400000000 ] - [ 0.0013621200000000, 0.0028945200000000, 0.0011448200000000 ] - [ 0.0003699700000000, 0.0000980000000000, 0.0009377700000000 ] - [ -0.0003134900000000, -0.0004736600000000, 0.0003516600000000 ] - [ -0.0001830300000000, -0.0001524300000000, -0.0002913800000000 ] - [ -0.0004812500000000, 0.0008173500000000, -0.0004262000000000 ] - [ -0.0045714400000000, 0.0026072500000000, 0.0025880200000000 ] - [ -0.0001196700000000, -0.0000623000000000, 0.0003671800000000 ] - [ 0.0003955400000000, 0.0004987000000000, -0.0003965200000000 ] - [ -0.0047850100000000, 0.0015418400000000, 0.0050139400000000 ] - [ 0.0000906700000000, 0.0000259100000000, -0.0004381200000000 ] - [ -0.0002932600000000, -0.0007220700000000, -0.0008521400000000 ] - [ 0.0001543900000000, 0.0004480500000000, 0.0002984000000000 ] - [ 0.0027609500000000, 0.0006025800000000, -0.0004438400000000 ] - [ 0.0010537500000000, 0.0001512000000000, 0.0016285800000000 ] - [ 0.0016227800000000, -0.0012631400000000, 0.0003094400000000 ] - [ -0.0003754700000000, -0.0000744800000000, -0.0014295800000000 ] - [ 0.0000728500000000, -0.0000820000000000, -0.0013507500000000 ] - [ -0.0000031400000000, -0.0000846600000000, -0.0000339100000000 ] - [ 0.0001278100000000, -0.0000978400000000, 0.0003148800000000 ] - [ -0.0001959000000000, 0.0004435700000000, 0.0000864100000000 ] - [ 0.0000533000000000, -0.0000661400000000, -0.0005018100000000 ] - [ 0.0000476600000000, 0.0001005300000000, 0.0001316000000000 ] - [ -0.0001651900000000, -0.0000566200000000, -0.0002460600000000 ] - [ 0.0001221600000000, 0.0000548000000000, -0.0015675300000000 ] - [ 0.0002974200000000, -0.0003870000000000, 0.0001187500000000 ] - [ 0.0003076200000000, -0.0003123600000000, -0.0004433700000000 ] - [ -0.0005108400000000, -0.0008585600000000, 0.0002657200000000 ] - [ -0.0004362000000000, 0.0000895700000000, 0.0006920500000000 ] - [ -0.0000666600000000, -0.0000131500000000, -0.0001570300000000 ] - [ 0.0000606000000000, -0.0001922400000000, -0.0008190900000000 ] - [ 0.0009282400000000, 0.0017905000000000, 0.0036141400000000 ] - [ -0.0001252900000000, 0.0001011900000000, -0.0000783100000000 ] - [ -0.0005092900000000, 0.0000417300000000, -0.0005858800000000 ] - [ -0.0010402800000000, 0.0004253800000000, -0.0006693200000000 ] - [ 0.0001247300000000, 0.0000194200000000, -0.0003278400000000 ] - [ 0.0000283500000000, -0.0002696800000000, 0.0000407500000000 ] - [ 0.0009742200000000, -0.0012522700000000, -0.0009234700000000 ] - [ -0.0000245800000000, -0.0000160300000000, -0.0001358600000000 ] - [ 0.0000396800000000, -0.0001814100000000, 0.0002551400000000 ] - [ -0.0000418000000000, -0.0001590600000000, -0.0004937800000000 ] - [ -0.0001036600000000, -0.0004311000000000, -0.0001183100000000 ] - [ -0.0003418000000000, -0.0002830200000000, -0.0004922400000000 ] - [ 0.0003687500000000, 0.0005032100000000, -0.0000463900000000 ] - [ 0.0003557000000000, -0.0003226700000000, -0.0002672800000000 ] - [ 0.0001052400000000, 0.0000721800000000, -0.0001985300000000 ] - [ -0.0000451700000000, -0.0000514000000000, -0.0002169000000000 ] - [ 0.0001653400000000, 0.0000974800000000, 0.0000541100000000 ] - [ 0.0001704700000000, 0.0002293600000000, 0.0001263100000000 ] - [ 0.0002831300000000, 0.0001374400000000, 0.0002543800000000 ] - [ 0.0003508500000000, -0.0005505800000000, 0.0012332700000000 ] - [ 0.0003158100000000, -0.0001073500000000, -0.0003380900000000 ] - [ -0.0004840800000000, -0.0007998200000000, -0.0010080000000000 ] - [ 0.0005667100000000, 0.0012211900000000, 0.0000194400000000 ] - [ 0.0000813800000000, -0.0002387400000000, 0.0001570100000000 ] - [ -0.0012055800000000, -0.0004409100000000, -0.0005530100000000 ] - [ -0.0010293200000000, 0.0009816400000000, -0.0004078300000000 ] - [ -0.0000036900000000, 0.0000174000000000, 0.0004715500000000 ] - [ -0.0002076000000000, 0.0001580000000000, 0.0001684000000000 ] - [ 0.0003509900000000, 0.0012169300000000, -0.0007842100000000 ] - [ -0.0024887700000000, 0.0004173700000000, -0.0024243000000000 ] - [ -0.0000133800000000, 0.0001234100000000, 0.0002861000000000 ] - [ -0.0005409100000000, -0.0000221100000000, -0.0006536900000000 ] - [ -0.0002946800000000, 0.0005508600000000, 0.0001158400000000 ] - [ 0.0001188600000000, -0.0000541300000000, -0.0000346800000000 ] - [ -0.0000279000000000, 0.0000508400000000, -0.0001377300000000 ] - [ -0.0002344200000000, 0.0000026800000000, 0.0033736400000000 ] - [ -0.0000370800000000, 0.0010074800000000, 0.0019949500000000 ] - [ -0.0002293100000000, 0.0001118600000000, -0.0000931200000000 ] - [ -0.0000332300000000, -0.0000631900000000, 0.0018456600000000 ] - [ -0.0001818000000000, 0.0002521500000000, -0.0001052600000000 ] - [ -0.0004453100000000, 0.0012208600000000, 0.0018152700000000 ] - [ -0.0002327100000000, 0.0000367900000000, -0.0008696300000000 ] - [ -0.0004167800000000, 0.0001832900000000, -0.0007247300000000 ] - [ 0.0000982900000000, -0.0002309800000000, 0.0012748000000000 ] - [ 0.0012544300000000, -0.0002514700000000, -0.0008318100000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007262800000000, -0.0005108800000000, 0.0004748800000000 ] - [ -0.0000086900000000, 0.0000123000000000, -0.0001350200000000 ] - [ -0.0001095200000000, 0.0004883100000000, -0.0001564300000000 ] - [ -0.0001356000000000, -0.0000819800000000, 0.0004105100000000 ] - [ -0.0001045800000000, -0.0001193300000000, -0.0003693300000000 ] - [ 0.0002229100000000, 0.0003188500000000, -0.0002727600000000 ] - [ -0.0083098900000000, 0.0032570800000000, 0.0157471000000000 ] - [ -0.0000607000000000, 0.0003400400000000, -0.0001183400000000 ] - [ -0.0000048600000000, 0.0001426700000000, 0.0002709600000000 ] - [ -0.0000035900000000, 0.0000020500000000, -0.0002392100000000 ] - [ 0.0001471700000000, -0.0001086400000000, -0.0007156000000000 ] - [ 0.0003409400000000, 0.0001044600000000, -0.0006616700000000 ] - [ -0.0000833000000000, -0.0001168600000000, -0.0001664300000000 ] - [ 0.0000074400000000, -0.0000884500000000, 0.0001985400000000 ] - [ 0.0001851200000000, -0.0000389900000000, 0.0000982800000000 ] - [ 0.0000844200000000, -0.0000092100000000, 0.0001796100000000 ] - [ 0.0000599500000000, 0.0000586500000000, 0.0002126200000000 ] - [ -0.0000082700000000, 0.0000151000000000, -0.0000930500000000 ] - [ 0.0005537900000000, 0.0005304000000000, 0.0013083000000000 ] - [ 0.0002327200000000, -0.0002776300000000, 0.0001084200000000 ] - [ -0.0001768400000000, -0.0001378400000000, -0.0006980500000000 ] - [ 0.0001310400000000, 0.0000263000000000, -0.0000646000000000 ] - [ 0.0001304500000000, -0.0001002700000000, 0.0002985900000000 ] - [ 0.0000639000000000, 0.0001252100000000, -0.0006003700000000 ] - [ 0.0001218800000000, -0.0001190900000000, -0.0001926300000000 ] - [ -0.0010470900000000, 0.0004461200000000, 0.0012700800000000 ] - [ 0.0001089800000000, 0.0000869400000000, -0.0000071500000000 ] - [ 0.0007478000000000, 0.0020533600000000, -0.0041823000000000 ] - [ -0.0000690400000000, 0.0000587900000000, -0.0006963700000000 ] - [ -0.0005954700000000, -0.0024194400000000, -0.0023655000000000 ] - [ 0.0001418800000000, -0.0000620600000000, 0.0005627800000000 ] - [ -0.0013101300000000, 0.0008913700000000, 0.0013758400000000 ] - [ -0.0001655200000000, 0.0001341300000000, -0.0000687000000000 ] - [ 0.0001274800000000, -0.0000681000000000, -0.0002782300000000 ] - [ 0.0007319500000000, -0.0011296400000000, -0.0012545800000000 ] - [ -0.0002241500000000, 0.0015160800000000, -0.0037595800000000 ] - [ -0.0000451300000000, -0.0002714700000000, 0.0000448900000000 ] - [ 0.0000749200000000, -0.0001054200000000, -0.0002305300000000 ] - [ -0.0000387400000000, -0.0000604600000000, 0.0000826900000000 ] - [ 0.0001078800000000, 0.0003367600000000, 0.0002652600000000 ] - [ 0.0006268300000000, -0.0008721700000000, -0.0001170600000000 ] - [ -0.0000970800000000, -0.0006106800000000, -0.0012715700000000 ] - [ 0.0000169400000000, 0.0004824900000000, 0.0004110500000000 ] - [ -0.0000041100000000, -0.0003083300000000, 0.0004226900000000 ] - [ -0.0005251100000000, 0.0009435600000000, 0.0003638600000000 ] - [ -0.0000862700000000, -0.0000313700000000, -0.0001605100000000 ] - [ 0.0044340700000000, 0.0034825000000000, 0.0020436700000000 ] - [ 0.0007042100000000, 0.0020361000000000, 0.0027989200000000 ] - [ -0.0001936500000000, -0.0003947100000000, -0.0004966900000000 ] - [ 0.0008417200000000, -0.0016306300000000, 0.0050148400000000 ] - [ -0.0020830500000000, -0.0000168000000000, 0.0000246300000000 ] - [ 0.0003742200000000, 0.0001947300000000, -0.0009781900000000 ] - [ 0.0001362900000000, 0.0011829500000000, -0.0003829900000000 ] - [ -0.0002951600000000, 0.0001345000000000, -0.0006321100000000 ] - [ -0.0007252100000000, 0.0006101100000000, -0.0005456900000000 ] - [ 0.0000109600000000, 0.0001073300000000, -0.0022579900000000 ] - [ -0.0017543200000000, 0.0004175900000000, -0.0030587500000000 ] - [ -0.0012614300000000, -0.0024776500000000, -0.0017625400000000 ] - [ -0.0000627700000000, -0.0000354300000000, -0.0006569500000000 ] - [ 0.0004105500000000, 0.0000375400000000, 0.0002867500000000 ] - [ -0.0001253500000000, 0.0000904400000000, 0.0005681600000000 ] - [ 0.0007900900000000, -0.0008807700000000, 0.0007021900000000 ] - [ 0.0044534500000000, -0.0021209700000000, -0.0021912600000000 ] - [ 0.0002211300000000, -0.0004206400000000, 0.0000346300000000 ] - [ -0.0001915300000000, -0.0006695800000000, 0.0000814700000000 ] - [ 0.0042707000000000, -0.0012029300000000, -0.0051108500000000 ] - [ 0.0000230100000000, 0.0000509200000000, 0.0010686600000000 ] - [ 0.0000883900000000, 0.0005585700000000, 0.0005360400000000 ] - [ -0.0001083200000000, -0.0004828500000000, -0.0002229500000000 ] - [ -0.0028903800000000, -0.0011328200000000, 0.0001385100000000 ] - [ -0.0013440400000000, 0.0001214300000000, -0.0014150000000000 ] - [ -0.0015083200000000, 0.0011853900000000, -0.0009384900000000 ] - [ 0.0000714400000000, 0.0000267300000000, 0.0012448000000000 ] - [ 0.0000334300000000, -0.0001359800000000, 0.0018390300000000 ] - [ -0.0001779500000000, -0.0001383700000000, 0.0000226400000000 ] - [ -0.0000202200000000, 0.0003170500000000, -0.0007972900000000 ] - [ 0.0000149600000000, -0.0002177200000000, -0.0000942800000000 ] - [ -0.0001698700000000, 0.0001471000000000, -0.0001303000000000 ] - [ -0.0001568800000000, 0.0001178200000000, -0.0006156500000000 ] - [ 0.0001251200000000, 0.0000983000000000, 0.0003292600000000 ] - [ -0.0000850400000000, -0.0000121800000000, 0.0016493100000000 ] - [ -0.0002563900000000, 0.0003443600000000, -0.0001989800000000 ] - [ -0.0000128400000000, 0.0000388500000000, 0.0002244100000000 ] - [ 0.0003270500000000, 0.0010831300000000, -0.0002596800000000 ] - [ 0.0006450900000000, 0.0000767300000000, -0.0003903200000000 ] - [ -0.0000415500000000, -0.0002078200000000, 0.0006438500000000 ] - [ 0.0000480200000000, -0.0000287700000000, 0.0003308500000000 ] - [ -0.0009933400000000, -0.0019298000000000, -0.0035700500000000 ] - [ -0.0000832000000000, 0.0000663900000000, -0.0002271500000000 ] - [ 0.0005511200000000, 0.0000012400000000, 0.0005024500000000 ] - [ 0.0012288000000000, -0.0006519500000000, 0.0006594400000000 ] - [ 0.0001786600000000, -0.0000644600000000, 0.0001471600000000 ] - [ 0.0001291500000000, -0.0002643200000000, -0.0003100200000000 ] - [ -0.0007895800000000, 0.0014770100000000, 0.0009158200000000 ] - [ -0.0001545900000000, -0.0002063000000000, 0.0001470500000000 ] - [ -0.0003433100000000, 0.0002278700000000, -0.0000727700000000 ] - [ -0.0000664700000000, -0.0000608400000000, 0.0000077700000000 ] - [ 0.0001039900000000, 0.0004306900000000, 0.0001192500000000 ] - [ 0.0000434000000000, 0.0000060800000000, 0.0007094500000000 ] - [ -0.0003672800000000, -0.0005013500000000, 0.0000440200000000 ] - [ -0.0001488500000000, 0.0001541000000000, 0.0005787900000000 ] - [ -0.0001448700000000, -0.0000278200000000, 0.0001150000000000 ] - [ -0.0002570900000000, 0.0000052000000000, 0.0003960300000000 ] - [ -0.0000090400000000, 0.0004350700000000, 0.0002098300000000 ] - [ 0.0001270000000000, 0.0000466600000000, -0.0003429800000000 ] - [ 0.0000197000000000, -0.0000917100000000, -0.0000715400000000 ] - [ -0.0000442300000000, 0.0005944900000000, -0.0014190300000000 ] - [ -0.0000203800000000, -0.0001659100000000, 0.0005569200000000 ] - [ 0.0006620700000000, 0.0005731400000000, 0.0010169700000000 ] - [ -0.0003831900000000, -0.0009953100000000, -0.0000169200000000 ] - [ 0.0000753800000000, -0.0002929400000000, 0.0001091400000000 ] - [ 0.0012101700000000, 0.0004467800000000, 0.0005508200000000 ] - [ 0.0010246300000000, -0.0009767500000000, 0.0004085700000000 ] - [ 0.0003012500000000, 0.0002592900000000, -0.0002554200000000 ] - [ 0.0001664100000000, -0.0002017800000000, -0.0002473000000000 ] - [ -0.0001929300000000, -0.0006780600000000, 0.0005175000000000 ] - [ 0.0026899800000000, -0.0002513700000000, 0.0021308600000000 ] - [ -0.0001947500000000, 0.0000438100000000, 0.0000207000000000 ] - [ 0.0003806800000000, 0.0005525100000000, 0.0003885400000000 ] - [ 0.0001397400000000, -0.0000215000000000, 0.0001450100000000 ] - [ 0.0001828700000000, 0.0000081700000000, 0.0002140000000000 ] - [ -0.0000886700000000, -0.0001311900000000, -0.0004923900000000 ] - [ 0.0001267900000000, 0.0001784300000000, -0.0028726500000000 ] - [ 0.0001419900000000, -0.0011083800000000, -0.0013739700000000 ] - [ 0.0000212600000000, -0.0002780900000000, 0.0004031500000000 ] - [ 0.0001421600000000, 0.0002899900000000, -0.0013478100000000 ] - [ 0.0000650800000000, -0.0001699800000000, 0.0007351400000000 ] - [ 0.0001402300000000, -0.0011464700000000, -0.0020119400000000 ] - [ 0.0003507200000000, 0.0000431400000000, 0.0002384900000000 ] - [ 0.0001236000000000, -0.0004614500000000, 0.0005063000000000 ] - [ -0.0002181400000000, 0.0001459800000000, -0.0006443400000000 ] - [ -0.0014129600000000, -0.0002845900000000, 0.0011050500000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0022794200000000, 0.0005578100000000, 0.0001376200000000 ] - [ 0.0023902800000000, 0.0048108800000000, -0.0012631800000000 ] - [ -0.0002704600000000, -0.0000633400000000, 0.0000638900000000 ] - [ -0.0010828800000000, 0.0014069200000000, -0.0069546000000000 ] - [ 0.0002766900000000, 0.0001941700000000, -0.0000390600000000 ] - [ -0.0007006000000000, 0.0002907300000000, 0.0002574800000000 ] - [ 0.0004056400000000, -0.0002861400000000, -0.0008291600000000 ] - [ 0.0013394600000000, 0.0006126400000000, -0.0004379000000000 ] - [ 0.0016316800000000, -0.0006316000000000, 0.0008326900000000 ] - [ 0.0008867100000000, -0.0003987900000000, -0.0002407100000000 ] - [ -0.0042062600000000, -0.0011629100000000, 0.0037766900000000 ] - [ 0.0005266400000000, 0.0000931300000000, -0.0000330100000000 ] - [ -0.0006565300000000, -0.0002679700000000, 0.0005836600000000 ] - [ -0.0001931800000000, -0.0003482400000000, 0.0001590800000000 ] - [ 0.0009455800000000, 0.0000475100000000, -0.0007284200000000 ] - [ 0.0004172000000000, -0.0001834700000000, -0.0000068700000000 ] - [ 0.0000116800000000, 0.0005490000000000, 0.0006609500000000 ] - [ 0.0102648700000000, -0.0031006200000000, -0.0029714500000000 ] - [ -0.0005589800000000, 0.0000407100000000, -0.0004339200000000 ] - [ 0.0000528600000000, 0.0000954300000000, 0.0000006400000000 ] - [ -0.0003603400000000, 0.0002313400000000, 0.0002650100000000 ] - [ -0.0003017800000000, 0.0001043300000000, 0.0003960300000000 ] - [ -0.0006199900000000, -0.0039348600000000, 0.0014630800000000 ] - [ 0.0007101100000000, 0.0004824000000000, 0.0002096900000000 ] - [ 0.0003910200000000, 0.0001302300000000, 0.0001239000000000 ] - [ -0.0014344800000000, 0.0003384200000000, -0.0005594900000000 ] - [ -0.0019030700000000, -0.0013992600000000, -0.0002253900000000 ] - [ 0.0003508900000000, -0.0005445700000000, 0.0001505200000000 ] - [ 0.0007831700000000, -0.0010214400000000, 0.0018810400000000 ] - [ 0.0055151900000000, -0.0025108700000000, -0.0006208400000000 ] - [ -0.0003401100000000, 0.0012993300000000, 0.0003369800000000 ] - [ 0.0006098700000000, 0.0002077200000000, -0.0000995900000000 ] - [ 0.0007618800000000, 0.0002648900000000, -0.0015550000000000 ] - [ 0.0012143100000000, -0.0004334200000000, 0.0000203600000000 ] - [ 0.0002476300000000, 0.0001946400000000, 0.0000346200000000 ] - [ -0.0001057600000000, 0.0000217500000000, -0.0000724000000000 ] - [ 0.0026591200000000, -0.0003410400000000, -0.0001590800000000 ] - [ -0.0041541400000000, -0.0016050600000000, 0.0015020400000000 ] - [ -0.0005879000000000, -0.0005851500000000, 0.0006401400000000 ] - [ -0.0009619400000000, 0.0010962200000000, -0.0011779800000000 ] - [ -0.4254033200000000, -0.0285981800000000, 0.0576260900000000 ] - [ 0.0033147400000000, -0.0000221400000000, 0.0007249600000000 ] - [ 0.0023287200000000, -0.0015075200000000, 0.0015091700000000 ] - [ -0.0009222400000000, 0.0000477300000000, -0.0006015300000000 ] - [ 0.0003340200000000, -0.0000812700000000, 0.0001210500000000 ] - [ -0.0001233400000000, -0.0014713400000000, -0.0016351600000000 ] - [ 0.0015196200000000, 0.0001201400000000, -0.0002240500000000 ] - [ 0.0016775900000000, -0.0007743400000000, -0.0019621400000000 ] - [ 0.0268163900000000, 0.0300064200000000, 0.0062848300000000 ] - [ 0.0002739100000000, -0.0000076700000000, -0.0009976900000000 ] - [ -0.0007975500000000, 0.0004141200000000, -0.0000691800000000 ] - [ 0.0007201200000000, 0.0053173900000000, 0.0037442600000000 ] - [ 0.0014337700000000, 0.0002634200000000, -0.0004660500000000 ] - [ 0.0041381700000000, 0.0034664300000000, 0.0052364400000000 ] - [ -0.0016950000000000, 0.0000341800000000, -0.0004471100000000 ] - [ 0.0017615200000000, 0.0001061000000000, 0.0003184700000000 ] - [ 0.0018836000000000, 0.0004966900000000, 0.0002772100000000 ] - [ -0.0005814100000000, 0.0005155000000000, -0.0005544800000000 ] - [ 0.0000645500000000, 0.0011031200000000, -0.0004659100000000 ] - [ 0.0013364700000000, -0.0004678100000000, 0.0005990400000000 ] - [ -0.0010853600000000, -0.0008522100000000, -0.0001954900000000 ] - [ 0.0153691200000000, 0.0216507100000000, 0.0304569900000000 ] - [ -0.0190261900000000, -0.0167011900000000, -0.0172763700000000 ] - [ 0.0008781700000000, -0.0008480900000000, 0.0002197700000000 ] - [ -0.0005120100000000, -0.0000016300000000, -0.0003061300000000 ] - [ 0.0003576600000000, 0.0051317800000000, 0.0048125200000000 ] - [ -0.0014648900000000, -0.0003627900000000, 0.0004637700000000 ] - [ 0.0000195900000000, -0.0002178500000000, -0.0003042100000000 ] - [ -0.0010016700000000, -0.0000931000000000, 0.0009154600000000 ] - [ -0.0007080200000000, -0.0004103900000000, -0.0001156400000000 ] - [ -0.0010919800000000, -0.0002123600000000, -0.0002706000000000 ] - [ 0.0125443300000000, -0.0110511000000000, 0.0035701600000000 ] - [ -0.0004854500000000, 0.0007632900000000, -0.0012851500000000 ] - [ -0.0004023900000000, -0.0001664100000000, -0.0001753400000000 ] - [ -0.0007366700000000, 0.0003034600000000, -0.0002057900000000 ] - [ -0.0024134300000000, -0.0013255700000000, -0.0092755300000000 ] - [ -0.0010072600000000, 0.0010089700000000, 0.0001595600000000 ] - [ -0.0007433600000000, 0.0010587100000000, 0.0001150700000000 ] - [ 0.0003114400000000, 0.0001227700000000, -0.0002158700000000 ] - [ -0.0083879500000000, -0.0045516200000000, -0.0078561300000000 ] - [ -0.0008039500000000, -0.0002513900000000, 0.0001819600000000 ] - [ 0.0840551300000000, -0.0298775200000000, 0.0693811700000000 ] - [ -0.0005951700000000, 0.0000121200000000, -0.0003295900000000 ] - [ 0.0003066700000000, 0.0000659300000000, 0.0001035900000000 ] - [ 0.0006192100000000, -0.0003113300000000, 0.0003118800000000 ] - [ -0.0008425400000000, -0.0000537000000000, -0.0021495800000000 ] - [ 0.0005149300000000, -0.0010884800000000, 0.0001282300000000 ] - [ 0.0001529800000000, -0.0000434400000000, 0.0004710500000000 ] - [ -0.0075924200000000, -0.0062785100000000, 0.0036741800000000 ] - [ 0.0004761700000000, -0.0004512300000000, 0.0004404800000000 ] - [ 0.0006025800000000, -0.0005424200000000, 0.0002690100000000 ] - [ -0.0026738300000000, -0.0010596400000000, -0.0008165600000000 ] - [ 0.0004562400000000, -0.0002934700000000, -0.0000314200000000 ] - [ 0.0886165000000000, -0.0660323600000000, -0.0268456600000000 ] - [ -0.0004353200000000, -0.0133906000000000, -0.0052603200000000 ] - [ -0.0073612900000000, -0.0047847400000000, -0.0046551700000000 ] - [ -0.0001780400000000, 0.0020364100000000, 0.0018927700000000 ] - [ 0.1069614200000000, 0.0915454900000000, 0.0128075100000000 ] - [ -0.0027809300000000, -0.0009826000000000, 0.0003676100000000 ] - [ -0.0009223500000000, -0.0003906700000000, -0.0000963600000000 ] - [ 0.1176662800000000, 0.0280913000000000, -0.1185736200000000 ] - [ -0.0004931600000000, 0.0003831800000000, 0.0005173900000000 ] - [ -0.0002965900000000, -0.0005598400000000, 0.0002018500000000 ] - [ -0.0001280000000000, 0.0003995600000000, 0.0001054600000000 ] - [ -0.0015929100000000, 0.0003704300000000, -0.0003686700000000 ] - [ 0.0013600100000000, 0.0005887300000000, 0.0004861700000000 ] - [ -0.0003926400000000, 0.0000287800000000, 0.0001783900000000 ] - [ 0.0017217000000000, -0.0016627200000000, -0.0015597800000000 ] - [ -0.0016331800000000, -0.0006207800000000, -0.0001984000000000 ] - [ -0.0007525900000000, 0.0000920700000000, -0.0000375600000000 ] - [ -0.0018046900000000, 0.0026126400000000, -0.0005285800000000 ] - [ 0.0006375300000000, -0.0005844400000000, 0.0001373200000000 ] - [ -0.0007167400000000, 0.0001827900000000, -0.0000643600000000 ] - [ 0.0019057300000000, 0.0003771900000000, 0.0002691200000000 ] - [ 0.0000681000000000, -0.0000161300000000, 0.0001581300000000 ] - [ -0.0006233500000000, -0.0017410700000000, -0.0003672200000000 ] - [ -0.0014241500000000, 0.0002946000000000, -0.0003715900000000 ] - [ -0.0005917200000000, 0.0005963600000000, -0.0004299300000000 ] - [ -0.0028952000000000, 0.0006948700000000, -0.0008628500000000 ] - [ 0.0007687400000000, 0.0000143200000000, 0.0001349200000000 ] - [ 0.0008048000000000, 0.0007555100000000, 0.0005643500000000 ] - [ -0.0003292200000000, 0.0010620700000000, -0.0004750500000000 ] - [ -0.0004603200000000, 0.0001031300000000, 0.0008774700000000 ] - [ -0.0012394500000000, 0.0006184900000000, 0.0007071400000000 ] - [ -0.0000468600000000, -0.0000110800000000, 0.0001515400000000 ] - [ -0.0015793500000000, 0.0004262300000000, 0.0019535700000000 ] - [ -0.0008122600000000, -0.0015839900000000, -0.0016493100000000 ] - [ -0.0004803700000000, 0.0003952300000000, 0.0008622100000000 ] - [ 0.0007607800000000, -0.0008097100000000, 0.0004469800000000 ] - [ 0.0014254200000000, -0.0000788900000000, -0.0002404000000000 ] - [ 0.0001421800000000, -0.0000178100000000, 0.0010495800000000 ] - [ 0.0077279900000000, 0.0053134100000000, -0.0002564100000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0022730400000000, -0.0005134400000000, -0.0000253500000000 ] - [ -0.0025436300000000, -0.0047551900000000, 0.0014449600000000 ] - [ 0.0002343300000000, 0.0002766300000000, -0.0000551800000000 ] - [ 0.0008773300000000, -0.0011757200000000, 0.0069051200000000 ] - [ -0.0004689000000000, -0.0004121900000000, 0.0000678400000000 ] - [ 0.0007363700000000, -0.0000783900000000, -0.0002665000000000 ] - [ -0.0006854400000000, 0.0001207400000000, 0.0005234800000000 ] - [ -0.0011939800000000, -0.0007053800000000, 0.0002753000000000 ] - [ -0.0018228700000000, 0.0008528000000000, -0.0008121700000000 ] - [ -0.0009006400000000, 0.0003536000000000, 0.0001273300000000 ] - [ 0.0042014200000000, 0.0011269300000000, -0.0039043600000000 ] - [ -0.0005128300000000, -0.0001422700000000, 0.0001512900000000 ] - [ 0.0006413000000000, 0.0002174900000000, -0.0004696400000000 ] - [ 0.0003428100000000, 0.0002538800000000, 0.0000041700000000 ] - [ -0.0006713400000000, -0.0002099000000000, 0.0004220700000000 ] - [ -0.0004300800000000, 0.0002318800000000, -0.0001101800000000 ] - [ -0.0001568600000000, -0.0006419800000000, -0.0005010500000000 ] - [ -0.0104218000000000, 0.0033644300000000, 0.0030015900000000 ] - [ 0.0007533200000000, 0.0001763500000000, 0.0004609900000000 ] - [ -0.0000848100000000, -0.0003088200000000, -0.0000116400000000 ] - [ 0.0001653000000000, -0.0004470900000000, -0.0002932300000000 ] - [ 0.0005799700000000, 0.0000594100000000, -0.0000908900000000 ] - [ 0.0009066900000000, 0.0037675800000000, -0.0011606400000000 ] - [ -0.0004353500000000, -0.0003190400000000, -0.0005147000000000 ] - [ -0.0002442700000000, -0.0000364500000000, -0.0002867000000000 ] - [ 0.0014470700000000, -0.0002890800000000, 0.0004451300000000 ] - [ 0.0020633400000000, 0.0014917800000000, 0.0003879500000000 ] - [ -0.0003880600000000, 0.0003301100000000, -0.0001403100000000 ] - [ -0.0010645400000000, 0.0011850000000000, -0.0021764900000000 ] - [ -0.0056396100000000, 0.0023951100000000, 0.0004512300000000 ] - [ 0.0000656800000000, -0.0014704500000000, -0.0000346400000000 ] - [ -0.0004178500000000, 0.0000075200000000, 0.0000710300000000 ] - [ -0.0010276000000000, -0.0001026700000000, 0.0018662500000000 ] - [ -0.0010230500000000, 0.0002183000000000, -0.0000442500000000 ] - [ -0.0002151000000000, 0.0000180400000000, -0.0000242900000000 ] - [ -0.0000449900000000, 0.0000717600000000, -0.0000907300000000 ] - [ -0.0026276400000000, 0.0001334200000000, 0.0001680100000000 ] - [ 0.0043496100000000, 0.0013822600000000, -0.0014952200000000 ] - [ 0.0006221400000000, 0.0003705600000000, -0.0006496400000000 ] - [ 0.0009459500000000, -0.0010521000000000, 0.0012963400000000 ] - [ 0.4234696100000000, 0.0265819300000000, -0.0572404800000000 ] - [ -0.0034223400000000, -0.0004711700000000, -0.0011184700000000 ] - [ -0.0022310700000000, 0.0020001200000000, -0.0011210900000000 ] - [ 0.0010180600000000, 0.0004329100000000, 0.0002033900000000 ] - [ -0.0002302300000000, 0.0005147600000000, 0.0005142800000000 ] - [ -0.0001782400000000, 0.0015358000000000, 0.0019223600000000 ] - [ -0.0016211300000000, 0.0003606100000000, -0.0001809800000000 ] - [ -0.0013730100000000, 0.0007094400000000, 0.0016724900000000 ] - [ -0.0266998700000000, -0.0302160800000000, -0.0068967300000000 ] - [ -0.0005868300000000, -0.0000553400000000, 0.0007175700000000 ] - [ 0.0007004000000000, -0.0008451800000000, 0.0007030000000000 ] - [ -0.0006294600000000, -0.0058076600000000, -0.0041522300000000 ] - [ -0.0015309800000000, 0.0001709200000000, -0.0001712600000000 ] - [ -0.0044499800000000, -0.0033978200000000, -0.0055061700000000 ] - [ 0.0015950200000000, -0.0005106300000000, 0.0008361100000000 ] - [ -0.0014584600000000, -0.0000480900000000, -0.0005944700000000 ] - [ -0.0019850300000000, -0.0009391600000000, -0.0009096700000000 ] - [ 0.0006772900000000, -0.0000827800000000, -0.0000811200000000 ] - [ 0.0002550900000000, -0.0010320700000000, 0.0007466600000000 ] - [ -0.0012350100000000, 0.0000347200000000, 0.0000364700000000 ] - [ 0.0007837800000000, 0.0007887200000000, 0.0004734600000000 ] - [ -0.0149870400000000, -0.0216748200000000, -0.0304051100000000 ] - [ 0.0189818800000000, 0.0172016800000000, 0.0177001300000000 ] - [ -0.0007772300000000, 0.0003670000000000, 0.0001806400000000 ] - [ 0.0007213000000000, -0.0001655400000000, -0.0000034600000000 ] - [ -0.0006386300000000, -0.0048904400000000, -0.0050678100000000 ] - [ 0.0015879800000000, 0.0004534200000000, 0.0001662700000000 ] - [ -0.0002248700000000, 0.0000505600000000, -0.0000052000000000 ] - [ 0.0010421100000000, 0.0000486500000000, -0.0008284500000000 ] - [ 0.0005538500000000, -0.0001209900000000, -0.0001473700000000 ] - [ 0.0007965100000000, 0.0004897600000000, 0.0004932700000000 ] - [ -0.0124485700000000, 0.0109724100000000, -0.0041978800000000 ] - [ 0.0001877400000000, -0.0008037300000000, 0.0010995200000000 ] - [ 0.0005132000000000, -0.0000508800000000, 0.0006592400000000 ] - [ 0.0005546900000000, -0.0005270400000000, 0.0001939700000000 ] - [ 0.0024829500000000, 0.0015174200000000, 0.0087406200000000 ] - [ 0.0008262500000000, -0.0007895500000000, -0.0001705900000000 ] - [ 0.0006259000000000, -0.0009746700000000, -0.0007530600000000 ] - [ -0.0004228200000000, 0.0000971900000000, -0.0002684800000000 ] - [ 0.0083639200000000, 0.0045726600000000, 0.0079403600000000 ] - [ 0.0008483100000000, 0.0002982600000000, -0.0001020400000000 ] - [ -0.0854610600000000, 0.0311016000000000, -0.0727827900000000 ] - [ 0.0008918100000000, -0.0002877200000000, 0.0001105400000000 ] - [ -0.0004838700000000, 0.0001585700000000, -0.0000914100000000 ] - [ -0.0004126600000000, 0.0004775500000000, -0.0000037000000000 ] - [ 0.0007386700000000, -0.0001673100000000, 0.0026363800000000 ] - [ -0.0004127800000000, 0.0008674000000000, -0.0006210400000000 ] - [ -0.0001917200000000, 0.0000000500000000, -0.0003866500000000 ] - [ 0.0074213100000000, 0.0064374400000000, -0.0039996000000000 ] - [ -0.0004372200000000, 0.0004957900000000, -0.0005227300000000 ] - [ -0.0004215100000000, 0.0003152400000000, -0.0002773100000000 ] - [ 0.0029847900000000, 0.0010136800000000, 0.0006318100000000 ] - [ -0.0002970600000000, -0.0002411000000000, -0.0002345200000000 ] - [ -0.0872333300000000, 0.0632318100000000, 0.0255737800000000 ] - [ 0.0002643300000000, 0.0132085400000000, 0.0052872400000000 ] - [ 0.0070603900000000, 0.0048364000000000, 0.0049075400000000 ] - [ 0.0000584600000000, -0.0022617600000000, -0.0023926900000000 ] - [ -0.1038855500000000, -0.0865617800000000, -0.0121039100000000 ] - [ 0.0024902000000000, 0.0007139800000000, -0.0001613000000000 ] - [ 0.0009206900000000, 0.0003893500000000, 0.0000970500000000 ] - [ -0.1184810800000000, -0.0292659600000000, 0.1231888500000000 ] - [ 0.0004503600000000, -0.0003355800000000, -0.0006010000000000 ] - [ -0.0000145500000000, 0.0005139600000000, -0.0000208000000000 ] - [ 0.0002834300000000, 0.0001337300000000, 0.0001593800000000 ] - [ 0.0018916900000000, -0.0000977800000000, 0.0001545900000000 ] - [ -0.0010578900000000, -0.0005406600000000, -0.0003045100000000 ] - [ 0.0007010500000000, 0.0000156300000000, -0.0003595800000000 ] - [ -0.0014279700000000, 0.0013928000000000, 0.0017819600000000 ] - [ 0.0018163700000000, 0.0004036400000000, 0.0002096200000000 ] - [ 0.0009312000000000, 0.0001309000000000, 0.0000511400000000 ] - [ 0.0019636100000000, -0.0031665400000000, 0.0008034000000000 ] - [ -0.0006372600000000, 0.0005835900000000, -0.0001367100000000 ] - [ 0.0007147300000000, -0.0001787300000000, 0.0000638500000000 ] - [ -0.0016038600000000, -0.0000995100000000, -0.0000558300000000 ] - [ -0.0001124700000000, -0.0000296300000000, -0.0002386100000000 ] - [ 0.0007849200000000, 0.0022784000000000, 0.0001022900000000 ] - [ 0.0016325000000000, -0.0001202000000000, 0.0000628700000000 ] - [ 0.0003796900000000, -0.0004304400000000, 0.0007375200000000 ] - [ 0.0027390800000000, -0.0001585300000000, 0.0005922000000000 ] - [ -0.0009260900000000, 0.0005170000000000, 0.0001327600000000 ] - [ -0.0005077500000000, -0.0007988300000000, -0.0003843700000000 ] - [ 0.0002074800000000, -0.0011491500000000, -0.0001549500000000 ] - [ 0.0003545800000000, 0.0001175000000000, -0.0003882100000000 ] - [ 0.0013563900000000, -0.0007013400000000, -0.0000674600000000 ] - [ -0.0001642100000000, -0.0001553100000000, 0.0001557000000000 ] - [ 0.0016880200000000, -0.0002081200000000, -0.0014548000000000 ] - [ 0.0007049400000000, 0.0016649500000000, 0.0022868900000000 ] - [ 0.0001788900000000, -0.0003492600000000, -0.0010403000000000 ] - [ -0.0006507800000000, 0.0008858400000000, -0.0010757500000000 ] - [ -0.0017143800000000, -0.0001996900000000, 0.0000304800000000 ] - [ -0.0002552900000000, -0.0000657000000000, -0.0004138900000000 ] - [ -0.0079126800000000, -0.0058554500000000, 0.0005266600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002208800000000, -0.0004227100000000, 0.0002743000000000 ] - [ 0.0045096900000000, 0.0017604900000000, -0.0016560800000000 ] - [ -0.0000962600000000, -0.0005725500000000, 0.0002393700000000 ] - [ 0.0019356400000000, -0.0041000700000000, -0.0047179400000000 ] - [ 0.0001690700000000, 0.0004574000000000, -0.0000834600000000 ] - [ 0.0002889500000000, 0.0028303900000000, -0.0007109400000000 ] - [ -0.0013469100000000, 0.0004962100000000, 0.0009385900000000 ] - [ 0.0010524000000000, 0.0012584400000000, -0.0004909000000000 ] - [ -0.0003176100000000, -0.0003506600000000, -0.0001426800000000 ] - [ 0.0002085800000000, 0.0002388300000000, 0.0001677600000000 ] - [ -0.0018851500000000, 0.0060955500000000, -0.0098339000000000 ] - [ 0.0001420900000000, -0.0001396500000000, -0.0000646900000000 ] - [ -0.0001985200000000, 0.0002125500000000, 0.0007793800000000 ] - [ -0.0000503600000000, 0.0003841000000000, 0.0000145300000000 ] - [ 0.0006485200000000, -0.0002147300000000, -0.0008799400000000 ] - [ 0.0000213400000000, 0.0002946000000000, -0.0001779400000000 ] - [ 0.0002460100000000, -0.0004751300000000, 0.0002082300000000 ] - [ -0.0023229400000000, -0.0021721800000000, 0.0015342500000000 ] - [ 0.0003410100000000, 0.0017670300000000, 0.0007430600000000 ] - [ 0.0001600200000000, 0.0002766700000000, 0.0000827700000000 ] - [ -0.0002902400000000, 0.0010974000000000, -0.0003704600000000 ] - [ -0.0000742400000000, 0.0009478500000000, 0.0003313200000000 ] - [ -0.0016954300000000, 0.0019918800000000, -0.0025414200000000 ] - [ 0.0004986500000000, 0.0011851500000000, 0.0001034500000000 ] - [ 0.0002605300000000, 0.0002891100000000, 0.0002199700000000 ] - [ -0.0000753200000000, -0.0009442900000000, 0.0018084400000000 ] - [ -0.0023355300000000, 0.0025274100000000, 0.0008712600000000 ] - [ -0.0011486100000000, 0.0023668000000000, -0.0004093100000000 ] - [ -0.0001782600000000, -0.0024775900000000, 0.0000446900000000 ] - [ -0.0051488200000000, -0.0015690800000000, -0.0004463600000000 ] - [ 0.0014235600000000, 0.0006473200000000, 0.0011154400000000 ] - [ 0.0001315900000000, 0.0006889600000000, 0.0000640000000000 ] - [ 0.0002982200000000, -0.0006103500000000, -0.0004831900000000 ] - [ 0.0005603200000000, -0.0007391200000000, 0.0002158400000000 ] - [ 0.0000242600000000, 0.0005294300000000, 0.0000366400000000 ] - [ -0.0002736600000000, -0.0001005500000000, -0.0000873700000000 ] - [ 0.0016825000000000, -0.0013849600000000, -0.0003258600000000 ] - [ -0.0013318200000000, -0.0015929900000000, 0.0059969500000000 ] - [ -0.0000382600000000, -0.0005842500000000, -0.0003186700000000 ] - [ -0.0003422300000000, 0.0024838700000000, -0.0013159000000000 ] - [ -0.0336644000000000, -0.4008127400000000, 0.0265401800000000 ] - [ 0.0002475800000000, -0.0009953800000000, -0.0001927400000000 ] - [ -0.0000596100000000, 0.0016633800000000, -0.0002715100000000 ] - [ 0.0005367700000000, 0.0013906300000000, -0.0012713200000000 ] - [ 0.0003434900000000, 0.0022358400000000, 0.0001868900000000 ] - [ -0.0007364200000000, 0.0000443200000000, 0.0007047000000000 ] - [ -0.0000598100000000, -0.0002736700000000, 0.0001780300000000 ] - [ -0.0002613000000000, -0.0013359700000000, -0.0002139200000000 ] - [ 0.0302942300000000, 0.0375309600000000, 0.0076948600000000 ] - [ 0.0001593700000000, 0.0016618600000000, -0.0003075200000000 ] - [ -0.0006776500000000, 0.0006835600000000, 0.0005727000000000 ] - [ 0.0017486200000000, 0.0083148800000000, 0.0039961400000000 ] - [ -0.0000039700000000, -0.0006407700000000, -0.0000780200000000 ] - [ 0.0044546800000000, 0.0039002000000000, 0.0059918400000000 ] - [ -0.0006126400000000, -0.0013543700000000, -0.0010030200000000 ] - [ -0.0020922200000000, 0.0006541800000000, -0.0013452100000000 ] - [ -0.0007696000000000, 0.0008559600000000, -0.0007292200000000 ] - [ -0.0002494400000000, 0.0018317000000000, -0.0001634300000000 ] - [ 0.0009138400000000, 0.0005684600000000, -0.0013069900000000 ] - [ -0.0002019100000000, -0.0006030800000000, 0.0002905800000000 ] - [ -0.0004960100000000, 0.0020629200000000, -0.0001974500000000 ] - [ 0.0028208400000000, -0.0209574300000000, -0.0021805500000000 ] - [ 0.0082803200000000, 0.0427574800000000, 0.0309534500000000 ] - [ 0.0001248300000000, 0.0002355500000000, 0.0005804000000000 ] - [ 0.0000317000000000, 0.0004577000000000, -0.0003219700000000 ] - [ 0.0034827400000000, -0.0083153800000000, -0.0078270300000000 ] - [ 0.0004884900000000, 0.0005580400000000, 0.0005559700000000 ] - [ -0.0000047500000000, -0.0008729500000000, -0.0003250000000000 ] - [ 0.0002334600000000, 0.0006029600000000, -0.0000850300000000 ] - [ 0.0000131600000000, -0.0002758800000000, -0.0003388400000000 ] - [ -0.0005717200000000, 0.0003429700000000, -0.0002617300000000 ] - [ -0.0121311400000000, 0.0076837700000000, -0.0094537600000000 ] - [ 0.0024306300000000, -0.0011264000000000, 0.0015069300000000 ] - [ 0.0006009900000000, -0.0008437200000000, 0.0010107700000000 ] - [ -0.0001708100000000, -0.0001636200000000, -0.0000502600000000 ] - [ 0.0011337500000000, 0.0035865900000000, 0.0028635600000000 ] - [ -0.0005475600000000, -0.0011364700000000, -0.0002121100000000 ] - [ 0.0000836700000000, -0.0002090100000000, -0.0005862700000000 ] - [ -0.0001725400000000, -0.0010352700000000, 0.0000387300000000 ] - [ -0.0116250800000000, -0.0052258900000000, -0.0108217000000000 ] - [ 0.0006239100000000, -0.0007346300000000, 0.0002049000000000 ] - [ -0.0268506000000000, 0.0533544000000000, -0.0388175800000000 ] - [ -0.0000530000000000, -0.0005852600000000, -0.0003219200000000 ] - [ -0.0001483500000000, -0.0010834100000000, 0.0003560800000000 ] - [ 0.0000008700000000, -0.0003044800000000, -0.0005294800000000 ] - [ -0.0010050700000000, 0.0003658100000000, -0.0025707100000000 ] - [ -0.0007155000000000, -0.0011330700000000, 0.0009864800000000 ] - [ 0.0001828400000000, -0.0009941800000000, 0.0000153700000000 ] - [ -0.0096893100000000, -0.0080270300000000, 0.0053070900000000 ] - [ 0.0001915700000000, -0.0005933200000000, 0.0002712000000000 ] - [ 0.0002908100000000, -0.0001921300000000, -0.0000044900000000 ] - [ -0.0025757700000000, -0.0012659100000000, -0.0009444200000000 ] - [ -0.0001311500000000, -0.0002921600000000, 0.0001411400000000 ] - [ -0.0658180600000000, 0.1209777900000000, 0.0346031300000000 ] - [ -0.0019690600000000, -0.0136411700000000, -0.0051731500000000 ] - [ 0.0017565900000000, 0.0056139500000000, 0.0000936300000000 ] - [ 0.0005185700000000, 0.0008207700000000, -0.0008821900000000 ] - [ 0.0910496700000000, 0.1328016300000000, 0.0156342400000000 ] - [ -0.0005705200000000, 0.0005851200000000, 0.0003688800000000 ] - [ 0.0002791100000000, 0.0005421000000000, -0.0000715500000000 ] - [ 0.0291528900000000, 0.0535077000000000, -0.0462133500000000 ] - [ 0.0001924100000000, 0.0004250400000000, -0.0002636100000000 ] - [ -0.0007283300000000, -0.0000323000000000, 0.0005677800000000 ] - [ -0.0000327000000000, -0.0002328700000000, -0.0000488600000000 ] - [ -0.0001470400000000, -0.0001527100000000, 0.0003457300000000 ] - [ 0.0008261100000000, -0.0019934100000000, 0.0004462000000000 ] - [ 0.0000871800000000, -0.0005924000000000, -0.0001061600000000 ] - [ 0.0013698900000000, -0.0030811700000000, -0.0015285500000000 ] - [ -0.0004401400000000, 0.0000265200000000, 0.0001365200000000 ] - [ -0.0000422300000000, 0.0007376100000000, -0.0002380100000000 ] - [ 0.0011703900000000, -0.0005746300000000, 0.0003200600000000 ] - [ 0.0007402300000000, -0.0010853900000000, -0.0000872100000000 ] - [ 0.0006061300000000, -0.0012617200000000, 0.0000246600000000 ] - [ -0.0001125200000000, -0.0005191800000000, 0.0014632800000000 ] - [ -0.0001071700000000, -0.0013418900000000, -0.0000669200000000 ] - [ -0.0010735100000000, -0.0038193800000000, 0.0002078200000000 ] - [ 0.0010604200000000, -0.0007532000000000, -0.0000884200000000 ] - [ 0.0000883900000000, 0.0001740400000000, 0.0003530700000000 ] - [ 0.0002464200000000, 0.0018776200000000, 0.0001518000000000 ] - [ -0.0002833500000000, 0.0012556300000000, 0.0003135500000000 ] - [ 0.0006011700000000, -0.0001513500000000, -0.0002212400000000 ] - [ -0.0002305600000000, -0.0012909500000000, -0.0000887400000000 ] - [ 0.0000351000000000, -0.0014020600000000, 0.0002835300000000 ] - [ 0.0000309300000000, 0.0006579200000000, 0.0001842700000000 ] - [ -0.0001340700000000, -0.0014028300000000, 0.0002478100000000 ] - [ -0.0000274200000000, 0.0021354800000000, 0.0002663200000000 ] - [ -0.0010183100000000, -0.0023335000000000, -0.0017762100000000 ] - [ 0.0003307300000000, 0.0013411100000000, -0.0002683600000000 ] - [ -0.0004370200000000, 0.0002715600000000, 0.0013568700000000 ] - [ 0.0004966900000000, 0.0012152000000000, 0.0006632000000000 ] - [ -0.0006714500000000, -0.0011141700000000, 0.0009046500000000 ] - [ -0.0054632600000000, -0.0125276300000000, -0.0007624500000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002321400000000, 0.0004732500000000, -0.0001577400000000 ] - [ -0.0047043700000000, -0.0016769900000000, 0.0018318600000000 ] - [ 0.0000631300000000, 0.0007859600000000, -0.0002290100000000 ] - [ -0.0021334000000000, 0.0042981000000000, 0.0047022800000000 ] - [ -0.0003641500000000, -0.0006748000000000, 0.0001117700000000 ] - [ -0.0002579500000000, -0.0026264800000000, 0.0007045600000000 ] - [ 0.0010698300000000, -0.0006581100000000, -0.0012425900000000 ] - [ -0.0009038600000000, -0.0013534700000000, 0.0003274700000000 ] - [ 0.0001266500000000, 0.0005655000000000, 0.0001710400000000 ] - [ -0.0002240900000000, -0.0002896300000000, -0.0002837400000000 ] - [ 0.0019480000000000, -0.0062040800000000, 0.0098115000000000 ] - [ -0.0001294300000000, 0.0000926100000000, 0.0001815800000000 ] - [ 0.0001851800000000, -0.0002633800000000, -0.0006621000000000 ] - [ 0.0001988100000000, -0.0004790000000000, 0.0001478000000000 ] - [ -0.0003734900000000, 0.0000483000000000, 0.0005756100000000 ] - [ -0.0000357500000000, -0.0002471900000000, 0.0000611800000000 ] - [ -0.0003947600000000, 0.0003843100000000, -0.0000447600000000 ] - [ 0.0022930700000000, 0.0023731700000000, -0.0015542800000000 ] - [ -0.0001453900000000, -0.0015518700000000, -0.0007206800000000 ] - [ -0.0001938500000000, -0.0004897800000000, -0.0000930400000000 ] - [ 0.0000996800000000, -0.0013161200000000, 0.0003466700000000 ] - [ 0.0003499400000000, -0.0007857500000000, -0.0000235500000000 ] - [ 0.0019659200000000, -0.0021579300000000, 0.0028312700000000 ] - [ -0.0002214400000000, -0.0010222800000000, -0.0004080800000000 ] - [ -0.0001128600000000, -0.0001965900000000, -0.0003826600000000 ] - [ 0.0000922300000000, 0.0009973000000000, -0.0019229800000000 ] - [ 0.0024728100000000, -0.0024250800000000, -0.0007029100000000 ] - [ 0.0011201200000000, -0.0025779600000000, 0.0004166000000000 ] - [ -0.0001027800000000, 0.0026468100000000, -0.0003566300000000 ] - [ 0.0049941700000000, 0.0014836900000000, 0.0002797400000000 ] - [ -0.0017091800000000, -0.0008118800000000, -0.0008169000000000 ] - [ 0.0000597100000000, -0.0004717100000000, -0.0000915700000000 ] - [ -0.0005753600000000, 0.0007784900000000, 0.0007882300000000 ] - [ -0.0003681800000000, 0.0005216200000000, -0.0002437600000000 ] - [ 0.0000087800000000, -0.0003160400000000, -0.0000257400000000 ] - [ 0.0001264600000000, 0.0001954100000000, -0.0000744200000000 ] - [ -0.0016531400000000, 0.0011682500000000, 0.0003363200000000 ] - [ 0.0015390600000000, 0.0013670600000000, -0.0059514800000000 ] - [ 0.0000717800000000, 0.0003691500000000, 0.0003103900000000 ] - [ 0.0003333500000000, -0.0024359600000000, 0.0014282500000000 ] - [ 0.0214881500000000, 0.4011309400000000, -0.0232089100000000 ] - [ -0.0003514200000000, 0.0005236400000000, -0.0002097000000000 ] - [ 0.0001553800000000, -0.0011874500000000, 0.0006691400000000 ] - [ -0.0004367200000000, -0.0009139800000000, 0.0008728600000000 ] - [ -0.0002523600000000, -0.0018033700000000, 0.0004470300000000 ] - [ 0.0004298600000000, 0.0000152400000000, -0.0004239500000000 ] - [ -0.0000431900000000, 0.0007578900000000, -0.0005765700000000 ] - [ 0.0005668400000000, 0.0012771500000000, -0.0000588200000000 ] - [ -0.0299288500000000, -0.0378666000000000, -0.0082983800000000 ] - [ -0.0004690300000000, -0.0017259900000000, 0.0000274500000000 ] - [ 0.0005819300000000, -0.0011167700000000, 0.0000675800000000 ] - [ -0.0016367300000000, -0.0087848600000000, -0.0043821200000000 ] - [ -0.0000966700000000, 0.0010753300000000, -0.0005562500000000 ] - [ -0.0047607000000000, -0.0038510600000000, -0.0062713600000000 ] - [ 0.0005174300000000, 0.0008826500000000, 0.0014090300000000 ] - [ 0.0024076300000000, -0.0005898300000000, 0.0010696100000000 ] - [ 0.0006662800000000, -0.0012858600000000, 0.0000885900000000 ] - [ 0.0003489200000000, -0.0014000100000000, -0.0004702600000000 ] - [ -0.0006077900000000, -0.0005040500000000, 0.0015981100000000 ] - [ 0.0003006100000000, 0.0001663200000000, 0.0003476200000000 ] - [ 0.0001815100000000, -0.0021276000000000, 0.0004706900000000 ] - [ -0.0024956800000000, 0.0210475100000000, 0.0025203500000000 ] - [ -0.0081420400000000, -0.0425099300000000, -0.0308225700000000 ] - [ -0.0000260000000000, -0.0007186000000000, -0.0001800200000000 ] - [ 0.0001778400000000, -0.0006250700000000, 0.0000139800000000 ] - [ -0.0038003800000000, 0.0085278100000000, 0.0075688500000000 ] - [ -0.0003748800000000, -0.0004799400000000, 0.0000783800000000 ] - [ -0.0002037300000000, 0.0007075200000000, 0.0000148700000000 ] - [ -0.0001910300000000, -0.0006469900000000, 0.0001645600000000 ] - [ -0.0001683000000000, -0.0002579900000000, 0.0000731900000000 ] - [ 0.0002781500000000, -0.0000707300000000, 0.0004806600000000 ] - [ 0.0122766500000000, -0.0078064400000000, 0.0088654600000000 ] - [ -0.0027500000000000, 0.0010795100000000, -0.0016885400000000 ] - [ -0.0004943900000000, 0.0006239400000000, -0.0005275000000000 ] - [ -0.0000099800000000, -0.0000581200000000, 0.0000388600000000 ] - [ -0.0010425300000000, -0.0033839000000000, -0.0034001800000000 ] - [ 0.0003691100000000, 0.0013636500000000, 0.0002030000000000 ] - [ -0.0001995900000000, 0.0002954100000000, -0.0000493900000000 ] - [ 0.0000650200000000, 0.0012555900000000, -0.0005204800000000 ] - [ 0.0116028700000000, 0.0052813500000000, 0.0109305200000000 ] - [ -0.0005841500000000, 0.0007785900000000, -0.0001219900000000 ] - [ 0.0268734500000000, -0.0538414000000000, 0.0386001100000000 ] - [ 0.0003507100000000, 0.0003110600000000, 0.0001034300000000 ] - [ -0.0000329600000000, 0.0013097900000000, -0.0003461900000000 ] - [ 0.0002082800000000, 0.0004697200000000, 0.0008348800000000 ] - [ 0.0008984000000000, -0.0005828800000000, 0.0030625800000000 ] - [ 0.0008285600000000, 0.0009140700000000, -0.0014843900000000 ] - [ -0.0002242200000000, 0.0009501000000000, 0.0000659400000000 ] - [ 0.0094900900000000, 0.0082259500000000, -0.0056392000000000 ] - [ -0.0001522500000000, 0.0006385900000000, -0.0003572900000000 ] - [ -0.0001135600000000, -0.0000339100000000, -0.0000075200000000 ] - [ 0.0028849500000000, 0.0012261400000000, 0.0007635200000000 ] - [ 0.0002873700000000, -0.0002392800000000, -0.0004079400000000 ] - [ 0.0710078600000000, -0.1266217300000000, -0.0374635900000000 ] - [ 0.0017544400000000, 0.0134069900000000, 0.0051732600000000 ] - [ -0.0020855900000000, -0.0056099200000000, 0.0000855500000000 ] - [ -0.0006272000000000, -0.0010343000000000, 0.0003948200000000 ] - [ -0.0849203000000000, -0.1270515300000000, -0.0145854300000000 ] - [ 0.0002760000000000, -0.0008662500000000, -0.0001499900000000 ] - [ -0.0002779000000000, -0.0005406200000000, 0.0000709900000000 ] - [ -0.0284527500000000, -0.0528650900000000, 0.0458415900000000 ] - [ -0.0002329000000000, -0.0003784600000000, 0.0001805800000000 ] - [ 0.0004262800000000, -0.0000161000000000, -0.0003903300000000 ] - [ 0.0001899400000000, 0.0007669700000000, 0.0003137600000000 ] - [ 0.0004478800000000, 0.0004318000000000, -0.0005614300000000 ] - [ -0.0005175800000000, 0.0020401700000000, -0.0002586300000000 ] - [ 0.0002192100000000, 0.0006387600000000, -0.0000753800000000 ] - [ -0.0010787400000000, 0.0028079600000000, 0.0017436900000000 ] - [ 0.0006272300000000, -0.0002542700000000, -0.0001256100000000 ] - [ 0.0002248300000000, -0.0005155900000000, 0.0002484900000000 ] - [ -0.0010086100000000, 0.0000476800000000, -0.0000547400000000 ] - [ -0.0007425300000000, 0.0010869400000000, 0.0000862800000000 ] - [ -0.0006012600000000, 0.0012588600000000, -0.0000235000000000 ] - [ 0.0004091700000000, 0.0007996900000000, -0.0012464200000000 ] - [ 0.0000695500000000, 0.0012993300000000, -0.0000137200000000 ] - [ 0.0012253100000000, 0.0043507400000000, -0.0004733800000000 ] - [ -0.0008487100000000, 0.0009147100000000, -0.0002158700000000 ] - [ -0.0002984400000000, -0.0000059700000000, -0.0000480700000000 ] - [ -0.0003991900000000, -0.0013474500000000, -0.0004137500000000 ] - [ 0.0001281500000000, -0.0007277400000000, -0.0000514000000000 ] - [ -0.0002979500000000, 0.0001087800000000, 0.0004025300000000 ] - [ 0.0001190300000000, 0.0012107900000000, -0.0005458500000000 ] - [ -0.0001438800000000, 0.0016231400000000, 0.0002061200000000 ] - [ 0.0000873600000000, -0.0007452600000000, 0.0004482800000000 ] - [ -0.0000688900000000, 0.0012369400000000, 0.0000592700000000 ] - [ 0.0001401600000000, -0.0019151900000000, 0.0002171500000000 ] - [ 0.0008945600000000, 0.0024253800000000, 0.0024056500000000 ] - [ -0.0006365900000000, -0.0012984900000000, 0.0000829200000000 ] - [ 0.0005530300000000, -0.0001930000000000, -0.0020021300000000 ] - [ -0.0007969300000000, -0.0014979700000000, -0.0008817600000000 ] - [ 0.0005555900000000, 0.0010323300000000, -0.0002694600000000 ] - [ 0.0052861000000000, 0.0120572100000000, 0.0010727100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008456000000000, 0.0003803200000000, -0.0007057400000000 ] - [ -0.0026759300000000, -0.0027618000000000, -0.0021643300000000 ] - [ 0.0002193200000000, 0.0001355700000000, 0.0013176300000000 ] - [ -0.0063808800000000, -0.0032206500000000, 0.0037665400000000 ] - [ -0.0003814500000000, -0.0003850100000000, 0.0000544600000000 ] - [ 0.0000867500000000, 0.0001560500000000, -0.0010455000000000 ] - [ -0.0006674100000000, 0.0004082000000000, 0.0002815300000000 ] - [ 0.0003412500000000, 0.0001943600000000, -0.0005411000000000 ] - [ 0.0016013600000000, -0.0007436600000000, 0.0008090000000000 ] - [ -0.0002288300000000, 0.0003401500000000, -0.0004606100000000 ] - [ 0.0042496200000000, -0.0087610800000000, 0.0014765600000000 ] - [ -0.0002161500000000, -0.0001424800000000, 0.0007015000000000 ] - [ 0.0004384500000000, 0.0006425200000000, 0.0010479100000000 ] - [ 0.0002213100000000, -0.0002081400000000, 0.0009548800000000 ] - [ 0.0000136500000000, -0.0005406400000000, -0.0001996900000000 ] - [ 0.0001864200000000, -0.0001171400000000, 0.0003162300000000 ] - [ 0.0001796600000000, 0.0005136100000000, 0.0020188900000000 ] - [ -0.0030053600000000, 0.0019475500000000, -0.0056979600000000 ] - [ -0.0000008000000000, 0.0007730100000000, 0.0003864300000000 ] - [ 0.0000316500000000, 0.0000934800000000, 0.0007008300000000 ] - [ 0.0001757500000000, -0.0005327400000000, 0.0004551300000000 ] - [ 0.0000402400000000, 0.0002367500000000, 0.0003282700000000 ] - [ 0.0012711800000000, -0.0051815500000000, 0.0016077800000000 ] - [ 0.0002514300000000, 0.0002330700000000, -0.0001207600000000 ] - [ 0.0000859200000000, 0.0001423600000000, 0.0004163900000000 ] - [ -0.0009376100000000, 0.0007079200000000, 0.0028803000000000 ] - [ -0.0006304000000000, 0.0012820800000000, -0.0015489000000000 ] - [ -0.0003108200000000, 0.0005391000000000, -0.0008392400000000 ] - [ 0.0017347600000000, -0.0004207600000000, 0.0001421600000000 ] - [ -0.0019081100000000, -0.0000074700000000, -0.0015894900000000 ] - [ 0.0008084500000000, 0.0016791600000000, 0.0002260300000000 ] - [ 0.0002498500000000, 0.0003244400000000, -0.0001318200000000 ] - [ -0.0019515800000000, -0.0002998600000000, 0.0028910900000000 ] - [ -0.0001077200000000, -0.0000520100000000, 0.0003955600000000 ] - [ 0.0000334400000000, 0.0001796000000000, 0.0004095000000000 ] - [ 0.0002561100000000, -0.0000067800000000, 0.0007163700000000 ] - [ 0.0002479400000000, -0.0003894900000000, -0.0009029700000000 ] - [ 0.0018848100000000, 0.0063086900000000, 0.0104204900000000 ] - [ -0.0001711700000000, -0.0005368200000000, 0.0023957000000000 ] - [ -0.0005989900000000, -0.0000144600000000, -0.0008343200000000 ] - [ 0.0646786100000000, 0.0260654300000000, -0.5098471999999999 ] - [ -0.0013362700000000, -0.0007009500000000, -0.0018120800000000 ] - [ 0.0008383400000000, -0.0000312700000000, -0.0009055900000000 ] - [ -0.0014824000000000, -0.0009348000000000, 0.0013388800000000 ] - [ 0.0002457300000000, 0.0000875800000000, -0.0013612500000000 ] - [ -0.0016125200000000, 0.0015523400000000, 0.0035945500000000 ] - [ 0.0003740900000000, 0.0004239000000000, 0.0012052300000000 ] - [ -0.0008834700000000, -0.0000826900000000, 0.0008527100000000 ] - [ 0.0066472600000000, 0.0077923500000000, 0.0018572000000000 ] - [ -0.0003574600000000, -0.0001886100000000, 0.0000757700000000 ] - [ -0.0004364200000000, -0.0004731900000000, 0.0031132600000000 ] - [ 0.0007306000000000, 0.0018794500000000, -0.0003447100000000 ] - [ 0.0000986300000000, -0.0000223200000000, 0.0016401200000000 ] - [ 0.0015282000000000, 0.0013856300000000, 0.0006170700000000 ] - [ -0.0007709700000000, -0.0011881600000000, 0.0048398100000000 ] - [ 0.0007717800000000, -0.0007493000000000, -0.0000485100000000 ] - [ -0.0006409500000000, -0.0006234700000000, -0.0021999000000000 ] - [ -0.0001860700000000, 0.0000630900000000, 0.0009622900000000 ] - [ -0.0009696000000000, -0.0018708800000000, 0.0021275900000000 ] - [ -0.0002331300000000, -0.0001882400000000, 0.0032855000000000 ] - [ 0.0001891900000000, -0.0006294600000000, -0.0003623100000000 ] - [ 0.0298619200000000, 0.0197717900000000, 0.0336468800000000 ] - [ -0.0039756700000000, 0.0235173200000000, 0.0028118400000000 ] - [ -0.0006170100000000, 0.0001498300000000, 0.0015157100000000 ] - [ -0.0001592400000000, -0.0000508200000000, -0.0013044600000000 ] - [ 0.0022587300000000, -0.0026347100000000, -0.0008807400000000 ] - [ 0.0000475600000000, 0.0004729600000000, 0.0004226800000000 ] - [ -0.0000663500000000, -0.0001801000000000, -0.0010100700000000 ] - [ 0.0004160200000000, 0.0002352400000000, -0.0011038200000000 ] - [ -0.0003746900000000, -0.0005406600000000, -0.0011073100000000 ] - [ -0.0009035300000000, -0.0002327000000000, -0.0007545800000000 ] - [ 0.0008637400000000, -0.0121801100000000, -0.0046656300000000 ] - [ -0.0017221200000000, 0.0005814300000000, 0.0007085800000000 ] - [ -0.0001456200000000, 0.0000436400000000, -0.0000665000000000 ] - [ -0.0000312300000000, 0.0001357600000000, -0.0009770100000000 ] - [ -0.0038670900000000, -0.0000386200000000, -0.0096844800000000 ] - [ -0.0003581000000000, 0.0005070100000000, 0.0007646400000000 ] - [ 0.0011995000000000, -0.0013093600000000, -0.0013297000000000 ] - [ -0.0002001200000000, -0.0002082400000000, -0.0004496400000000 ] - [ -0.0012389600000000, -0.0013712800000000, 0.0002425600000000 ] - [ -0.0003176600000000, 0.0003589000000000, 0.0007818800000000 ] - [ 0.0716553400000000, -0.0397194800000000, 0.1378615400000000 ] - [ 0.0002770500000000, -0.0002456200000000, -0.0005039100000000 ] - [ 0.0001547600000000, 0.0007645300000000, -0.0009590700000000 ] - [ 0.0003998500000000, -0.0005660200000000, -0.0017017000000000 ] - [ -0.0008475900000000, -0.0005599000000000, -0.0004201000000000 ] - [ 0.0005314200000000, 0.0010228400000000, -0.0010278500000000 ] - [ -0.0000606500000000, -0.0001081400000000, -0.0005287900000000 ] - [ -0.0036336200000000, -0.0023394800000000, 0.0038233200000000 ] - [ -0.0003722900000000, 0.0006002600000000, -0.0017142600000000 ] - [ 0.0000802600000000, 0.0010415900000000, -0.0021024700000000 ] - [ -0.0005673300000000, -0.0004068300000000, 0.0001633500000000 ] - [ 0.0005994500000000, -0.0001501800000000, -0.0014187600000000 ] - [ -0.0271906700000000, 0.0396821100000000, 0.0534378700000000 ] - [ -0.0008008900000000, -0.0025937700000000, -0.0000664800000000 ] - [ -0.0127305800000000, -0.0068905000000000, 0.0010326900000000 ] - [ 0.0022270600000000, -0.0028980500000000, -0.0025536700000000 ] - [ 0.0087126500000000, 0.0108440300000000, 0.0313123500000000 ] - [ 0.0017117400000000, 0.0002837400000000, 0.0004471300000000 ] - [ 0.0001585300000000, 0.0002805700000000, -0.0010233000000000 ] - [ -0.1255872000000000, -0.0478233500000000, 0.2442819200000000 ] - [ 0.0010188700000000, -0.0001239000000000, -0.0024403500000000 ] - [ 0.0005496200000000, 0.0004247400000000, -0.0010888100000000 ] - [ 0.0000527300000000, -0.0000029300000000, -0.0007143100000000 ] - [ -0.0002103800000000, 0.0004361000000000, 0.0004332800000000 ] - [ 0.0002489700000000, 0.0006142400000000, 0.0008483800000000 ] - [ 0.0002295700000000, 0.0000661600000000, -0.0003830300000000 ] - [ 0.0001920000000000, -0.0008525100000000, 0.0002050600000000 ] - [ 0.0010299300000000, 0.0004349500000000, 0.0011125400000000 ] - [ -0.0002239200000000, 0.0003878100000000, -0.0009490000000000 ] - [ -0.0007960600000000, -0.0004286800000000, 0.0021764600000000 ] - [ 0.0000347100000000, 0.0001771500000000, -0.0007596600000000 ] - [ 0.0000214800000000, 0.0002322200000000, 0.0006648400000000 ] - [ 0.0014547900000000, 0.0016365700000000, -0.0015106100000000 ] - [ -0.0005216700000000, -0.0001397200000000, 0.0009993100000000 ] - [ -0.0003131800000000, -0.0006749200000000, 0.0006666300000000 ] - [ 0.0005244800000000, -0.0003931000000000, 0.0008854200000000 ] - [ -0.0006278600000000, 0.0004902600000000, -0.0017250300000000 ] - [ 0.0005786100000000, 0.0005430000000000, 0.0013886500000000 ] - [ 0.0004706600000000, 0.0001045000000000, -0.0028812600000000 ] - [ 0.0007152900000000, -0.0011261100000000, -0.0019715700000000 ] - [ -0.0010124600000000, 0.0004533600000000, 0.0003500200000000 ] - [ 0.0000779400000000, -0.0001893300000000, 0.0003724700000000 ] - [ 0.0003643000000000, -0.0003286500000000, -0.0002177600000000 ] - [ 0.0000801900000000, -0.0002023800000000, 0.0009852900000000 ] - [ 0.0010849900000000, 0.0001945000000000, 0.0001503700000000 ] - [ -0.0003272500000000, -0.0008119400000000, 0.0001767700000000 ] - [ 0.0008782700000000, -0.0001326500000000, -0.0011809700000000 ] - [ 0.0003348700000000, 0.0013862800000000, -0.0027073000000000 ] - [ -0.0007106500000000, 0.0011086000000000, -0.0034482700000000 ] - [ 0.0003879300000000, 0.0003490800000000, 0.0002945600000000 ] - [ -0.0034489900000000, -0.0053402000000000, 0.0054041200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008342200000000, -0.0003324900000000, 0.0008266700000000 ] - [ 0.0025305100000000, 0.0028615200000000, 0.0023203000000000 ] - [ -0.0002497800000000, 0.0000787600000000, -0.0013077300000000 ] - [ 0.0062476000000000, 0.0034695100000000, -0.0038310800000000 ] - [ 0.0001891200000000, 0.0001695900000000, -0.0000296500000000 ] - [ -0.0000544500000000, 0.0000575300000000, 0.0010348900000000 ] - [ 0.0003925100000000, -0.0005736200000000, -0.0005855000000000 ] - [ -0.0001941000000000, -0.0002890000000000, 0.0003792800000000 ] - [ -0.0017954700000000, 0.0009631600000000, -0.0007786800000000 ] - [ 0.0002153900000000, -0.0003898100000000, 0.0003417500000000 ] - [ -0.0042311700000000, 0.0086510600000000, -0.0015864900000000 ] - [ 0.0002305800000000, 0.0000946900000000, -0.0005881200000000 ] - [ -0.0004492800000000, -0.0006872000000000, -0.0009326600000000 ] - [ -0.0000740200000000, 0.0001153400000000, -0.0007909100000000 ] - [ 0.0002647600000000, 0.0003787900000000, -0.0001034700000000 ] - [ -0.0002001300000000, 0.0001655400000000, -0.0004311900000000 ] - [ -0.0003313000000000, -0.0006087500000000, -0.0018603800000000 ] - [ 0.0029876200000000, -0.0017438900000000, 0.0056799800000000 ] - [ 0.0001938800000000, -0.0005589500000000, -0.0003576100000000 ] - [ -0.0000656000000000, -0.0003073200000000, -0.0007116800000000 ] - [ -0.0003683700000000, 0.0003140400000000, -0.0004835200000000 ] - [ 0.0002363700000000, -0.0000717300000000, -0.0000252700000000 ] - [ -0.0010036800000000, 0.0050278600000000, -0.0012992000000000 ] - [ 0.0000246100000000, -0.0000696200000000, -0.0001858200000000 ] - [ 0.0000631200000000, -0.0000482400000000, -0.0005802000000000 ] - [ 0.0009550600000000, -0.0006638500000000, -0.0030078800000000 ] - [ 0.0007817000000000, -0.0011939500000000, 0.0017060200000000 ] - [ 0.0002770000000000, -0.0007510900000000, 0.0008506300000000 ] - [ -0.0020008000000000, 0.0005845600000000, -0.0004520300000000 ] - [ 0.0017560100000000, -0.0000828300000000, 0.0014313500000000 ] - [ -0.0010886400000000, -0.0018491400000000, 0.0000827400000000 ] - [ -0.0000572500000000, -0.0001080900000000, 0.0001062500000000 ] - [ 0.0016707600000000, 0.0004595000000000, -0.0025978100000000 ] - [ 0.0003020200000000, -0.0001655300000000, -0.0004257500000000 ] - [ 0.0000000700000000, 0.0000333200000000, -0.0003997800000000 ] - [ -0.0004012000000000, 0.0000988000000000, -0.0008797100000000 ] - [ -0.0002155400000000, 0.0001755600000000, 0.0009155400000000 ] - [ -0.0016921700000000, -0.0064557100000000, -0.0102832700000000 ] - [ 0.0002029200000000, 0.0003259900000000, -0.0024072300000000 ] - [ 0.0005856000000000, 0.0000604300000000, 0.0009554800000000 ] - [ -0.0502385700000000, -0.0238889800000000, 0.5059646100000000 ] - [ 0.0012445500000000, 0.0002239900000000, 0.0014117500000000 ] - [ -0.0007355100000000, 0.0005086700000000, 0.0013107700000000 ] - [ 0.0015859200000000, 0.0014230200000000, -0.0017363600000000 ] - [ -0.0001479300000000, 0.0003474600000000, 0.0019987600000000 ] - [ 0.0012940000000000, -0.0014895700000000, -0.0033162200000000 ] - [ -0.0004750600000000, 0.0000573900000000, -0.0016056300000000 ] - [ 0.0012011400000000, 0.0000203900000000, -0.0011290000000000 ] - [ -0.0065347200000000, -0.0082001700000000, -0.0025182000000000 ] - [ 0.0000497700000000, 0.0001263700000000, -0.0003529200000000 ] - [ 0.0003365000000000, 0.0000326600000000, -0.0024805400000000 ] - [ -0.0006346800000000, -0.0023730800000000, -0.0000668500000000 ] - [ -0.0001955400000000, 0.0004557700000000, -0.0022776900000000 ] - [ -0.0018411400000000, -0.0013230300000000, -0.0009074100000000 ] - [ 0.0006561200000000, 0.0006948300000000, -0.0044371900000000 ] - [ -0.0004570700000000, 0.0008131400000000, -0.0002328800000000 ] - [ 0.0005463300000000, 0.0001938800000000, 0.0015645500000000 ] - [ 0.0002868000000000, 0.0003703900000000, -0.0015969200000000 ] - [ 0.0012715300000000, 0.0019301800000000, -0.0018550100000000 ] - [ 0.0003290400000000, -0.0002452700000000, -0.0026515500000000 ] - [ -0.0004982300000000, 0.0005646800000000, 0.0006461800000000 ] - [ -0.0299116800000000, -0.0198109100000000, -0.0335585900000000 ] - [ 0.0039149000000000, -0.0231773800000000, -0.0022699400000000 ] - [ 0.0007146400000000, -0.0006299400000000, -0.0011174200000000 ] - [ 0.0003648200000000, -0.0001163900000000, 0.0009966900000000 ] - [ -0.0025634500000000, 0.0029134500000000, 0.0006252400000000 ] - [ 0.0000624400000000, -0.0003933100000000, 0.0002138700000000 ] - [ -0.0001413700000000, 0.0000120600000000, 0.0007004100000000 ] - [ -0.0003776600000000, -0.0002795400000000, 0.0011875200000000 ] - [ 0.0002169600000000, 0.0000078400000000, 0.0008422000000000 ] - [ 0.0006098900000000, 0.0005084100000000, 0.0009731400000000 ] - [ -0.0007469600000000, 0.0121632500000000, 0.0040251500000000 ] - [ 0.0014100000000000, -0.0006251400000000, -0.0008872800000000 ] - [ 0.0002524600000000, -0.0002628400000000, 0.0005551000000000 ] - [ -0.0001490500000000, -0.0003605600000000, 0.0009667000000000 ] - [ 0.0040093900000000, 0.0002345200000000, 0.0091764600000000 ] - [ 0.0001765200000000, -0.0002819900000000, -0.0007767000000000 ] - [ -0.0013111300000000, 0.0013903100000000, 0.0006957600000000 ] - [ 0.0000918500000000, 0.0004294200000000, -0.0000390600000000 ] - [ 0.0012173200000000, 0.0014220700000000, -0.0001249600000000 ] - [ 0.0003556600000000, -0.0003147000000000, -0.0006969500000000 ] - [ -0.0770577600000000, 0.0424678800000000, -0.1442405000000000 ] - [ 0.0000201500000000, -0.0000303300000000, 0.0002870700000000 ] - [ -0.0003363100000000, -0.0005426900000000, 0.0009710600000000 ] - [ -0.0001906600000000, 0.0007376700000000, 0.0020119400000000 ] - [ 0.0007370900000000, 0.0003362200000000, 0.0009157500000000 ] - [ -0.0004185600000000, -0.0012438800000000, 0.0005456900000000 ] - [ 0.0000188500000000, 0.0000645600000000, 0.0006104500000000 ] - [ 0.0034510300000000, 0.0025256300000000, -0.0041633100000000 ] - [ 0.0004156900000000, -0.0005536000000000, 0.0016358100000000 ] - [ 0.0001024000000000, -0.0012584700000000, 0.0020909500000000 ] - [ 0.0008743100000000, 0.0003625200000000, -0.0003422400000000 ] - [ -0.0004423100000000, -0.0003886200000000, 0.0011515600000000 ] - [ 0.0277119700000000, -0.0398107200000000, -0.0530914500000000 ] - [ 0.0006268600000000, 0.0024151300000000, 0.0001032100000000 ] - [ 0.0124484000000000, 0.0069248800000000, -0.0008585400000000 ] - [ -0.0023225900000000, 0.0026774200000000, 0.0020696200000000 ] - [ -0.0095421600000000, -0.0117846500000000, -0.0315952800000000 ] - [ -0.0020164700000000, -0.0005614600000000, -0.0002238500000000 ] - [ -0.0001582600000000, -0.0002804400000000, 0.0010243700000000 ] - [ 0.1173380600000000, 0.0443945200000000, -0.2331438900000000 ] - [ -0.0010567200000000, 0.0001716300000000, 0.0023579400000000 ] - [ -0.0008528200000000, -0.0004703300000000, 0.0012732800000000 ] - [ 0.0001060200000000, 0.0005367600000000, 0.0009809200000000 ] - [ 0.0005052900000000, -0.0001603800000000, -0.0006556100000000 ] - [ 0.0000559200000000, -0.0005677500000000, -0.0006692800000000 ] - [ 0.0000755300000000, -0.0000215000000000, 0.0002008100000000 ] - [ 0.0001009400000000, 0.0005813200000000, 0.0000209300000000 ] - [ -0.0008539900000000, -0.0006606300000000, -0.0011021500000000 ] - [ 0.0004049000000000, -0.0001635700000000, 0.0009612800000000 ] - [ 0.0009498700000000, -0.0000970400000000, -0.0019157200000000 ] - [ -0.0000367700000000, -0.0001742800000000, 0.0007602100000000 ] - [ -0.0000217400000000, -0.0002338600000000, -0.0006653300000000 ] - [ -0.0011566600000000, -0.0013673500000000, 0.0017282500000000 ] - [ 0.0004813500000000, 0.0000936000000000, -0.0010846600000000 ] - [ 0.0004724300000000, 0.0012122900000000, -0.0009311000000000 ] - [ -0.0003164800000000, 0.0005581700000000, -0.0011963700000000 ] - [ 0.0004219600000000, -0.0003249800000000, 0.0020339200000000 ] - [ -0.0007381700000000, -0.0000101300000000, -0.0016537200000000 ] - [ -0.0006225400000000, 0.0004306800000000, 0.0031471200000000 ] - [ -0.0004026100000000, 0.0010745700000000, 0.0021508700000000 ] - [ 0.0008980600000000, -0.0005351600000000, -0.0009876700000000 ] - [ -0.0001860700000000, 0.0004100600000000, 0.0001136200000000 ] - [ -0.0002512300000000, 0.0002469200000000, 0.0008508000000000 ] - [ -0.0002888200000000, 0.0000354000000000, -0.0006762600000000 ] - [ -0.0009837000000000, 0.0000276600000000, 0.0003312500000000 ] - [ 0.0002146500000000, 0.0008963700000000, 0.0004644200000000 ] - [ -0.0011923300000000, 0.0001797500000000, 0.0009997100000000 ] - [ -0.0002086100000000, -0.0012968400000000, 0.0020757800000000 ] - [ 0.0004127000000000, -0.0013740500000000, 0.0032153400000000 ] - [ -0.0005057000000000, -0.0004348200000000, 0.0003366300000000 ] - [ 0.0032767200000000, 0.0047798200000000, -0.0051514800000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030968100000000, 0.0012037700000000, -0.0014990400000000 ] - [ 0.0101082000000000, -0.0030609000000000, -0.0031723800000000 ] - [ 0.0001632900000000, -0.0002549400000000, -0.0005030600000000 ] - [ 0.0005128600000000, -0.0000057000000000, 0.0002054200000000 ] - [ -0.0015704900000000, -0.0019774400000000, 0.0010341500000000 ] - [ 0.0007555000000000, -0.0003472200000000, -0.0000850600000000 ] - [ -0.0001475600000000, 0.0001385900000000, -0.0001059000000000 ] - [ -0.0002080700000000, -0.0003638100000000, 0.0001438100000000 ] - [ -0.0006625600000000, 0.0001402200000000, 0.0001452000000000 ] - [ -0.0007634600000000, 0.0003214000000000, -0.0002408600000000 ] - [ 0.0028985600000000, -0.0003377100000000, 0.0001512100000000 ] - [ -0.0055089900000000, -0.0017613000000000, 0.0018368700000000 ] - [ 0.0004908800000000, 0.0001122400000000, -0.0000468300000000 ] - [ 0.0002724300000000, 0.0000190000000000, 0.0001842800000000 ] - [ 0.0000461000000000, -0.0003275600000000, 0.0001725800000000 ] - [ -0.0002814900000000, 0.0000691600000000, 0.0000121000000000 ] - [ -0.0000819500000000, -0.0001407700000000, 0.0005338000000000 ] - [ 0.0017872900000000, 0.0048263200000000, -0.0035406600000000 ] - [ 0.0004217600000000, 0.0000799900000000, -0.0000280300000000 ] - [ -0.0001749100000000, -0.0002356000000000, 0.0002273500000000 ] - [ 0.0013945900000000, 0.0006872200000000, -0.0005064800000000 ] - [ 0.0005428600000000, -0.0000318300000000, 0.0001856900000000 ] - [ 0.0003986700000000, 0.0000951200000000, -0.0000184300000000 ] - [ -0.0002561400000000, 0.0012158500000000, -0.0002068000000000 ] - [ -0.0002883600000000, 0.0002325900000000, -0.0001085500000000 ] - [ 0.0004913700000000, 0.0000205500000000, -0.0000732200000000 ] - [ 0.0006172600000000, 0.0004283200000000, -0.0000350100000000 ] - [ 0.0003630400000000, 0.0006181400000000, 0.0010976600000000 ] - [ 0.0078947300000000, -0.0055045100000000, -0.0046065300000000 ] - [ 0.0042353800000000, 0.0005064000000000, 0.0046860000000000 ] - [ -0.0001327600000000, -0.0003018400000000, -0.0005219400000000 ] - [ -0.0002488000000000, 0.0000201900000000, -0.0003194600000000 ] - [ 0.0053953600000000, 0.0016117300000000, 0.0046759000000000 ] - [ -0.0040495000000000, 0.0007601200000000, -0.0002577800000000 ] - [ -0.0005244400000000, 0.0005765100000000, -0.0007891900000000 ] - [ 0.0004014500000000, -0.0002019600000000, -0.0020409800000000 ] - [ -0.0000781900000000, -0.0028365000000000, 0.0012698900000000 ] - [ 0.0016564000000000, -0.0001269000000000, 0.0000124900000000 ] - [ 0.0003675500000000, -0.0000050100000000, 0.0002094900000000 ] - [ 0.0003561300000000, -0.0000430300000000, 0.0001948900000000 ] - [ 0.0033193000000000, 0.0005225200000000, -0.0009763200000000 ] - [ -0.4540518700000000, -0.0184736100000000, -0.1149858700000000 ] - [ -0.0012533700000000, -0.0000482000000000, -0.0009371100000000 ] - [ 0.0005088200000000, 0.0003928800000000, -0.0003112400000000 ] - [ 0.0007148900000000, -0.0014706500000000, -0.0003630800000000 ] - [ 0.0003519300000000, 0.0019585000000000, 0.0015912500000000 ] - [ -0.0010038700000000, 0.0001715400000000, -0.0000351500000000 ] - [ -0.0004870900000000, 0.0005418500000000, 0.0014343000000000 ] - [ 0.0023298600000000, -0.0003194400000000, 0.0004658000000000 ] - [ -0.0002150300000000, 0.0000975100000000, -0.0001306700000000 ] - [ 0.0015218500000000, -0.0002095200000000, 0.0007444700000000 ] - [ 0.0011088100000000, -0.0003079000000000, -0.0003999300000000 ] - [ -0.0016922800000000, -0.0003476700000000, 0.0003896600000000 ] - [ -0.0004296300000000, -0.0013269200000000, -0.0009609800000000 ] - [ 0.0036040900000000, 0.0003770400000000, -0.0000683600000000 ] - [ 0.0225766400000000, 0.0343930100000000, -0.0008613000000000 ] - [ -0.0190012100000000, -0.0083948500000000, 0.0036416300000000 ] - [ 0.0008777100000000, 0.0001407500000000, -0.0009835600000000 ] - [ 0.0031219900000000, -0.0007993300000000, 0.0014787500000000 ] - [ -0.0009228400000000, 0.0002670900000000, 0.0018491600000000 ] - [ 0.0002637100000000, -0.0004268100000000, -0.0002573100000000 ] - [ 0.0019708500000000, 0.0000536400000000, -0.0007522700000000 ] - [ 0.0022492000000000, 0.0008749800000000, -0.0003210800000000 ] - [ -0.0008604700000000, 0.0005878900000000, 0.0003069300000000 ] - [ 0.0020383000000000, 0.0008971400000000, 0.0001446500000000 ] - [ -0.0016925400000000, -0.0000536100000000, -0.0000814000000000 ] - [ 0.0849640800000000, 0.0348162100000000, -0.0505898500000000 ] - [ -0.0005047600000000, -0.0005470600000000, 0.0005182200000000 ] - [ 0.0007056800000000, 0.0001010100000000, -0.0006752500000000 ] - [ 0.0007052800000000, -0.0000771500000000, -0.0000916200000000 ] - [ 0.0005848300000000, -0.0000712400000000, 0.0000859900000000 ] - [ -0.0009748400000000, 0.0002912800000000, -0.0002765600000000 ] - [ -0.0087796100000000, -0.0051538300000000, -0.0014792900000000 ] - [ -0.0036450900000000, -0.0088433900000000, 0.0058036000000000 ] - [ 0.0003529200000000, -0.0006286200000000, -0.0002498800000000 ] - [ -0.0004074700000000, -0.0001887300000000, 0.0002747700000000 ] - [ 0.0004349400000000, 0.0008543800000000, 0.0005052500000000 ] - [ 0.0005498500000000, -0.0009188000000000, -0.0007212500000000 ] - [ -0.0001887400000000, 0.0002163700000000, -0.0000967400000000 ] - [ -0.0009495300000000, 0.0016556200000000, -0.0003232300000000 ] - [ 0.0079578000000000, -0.0055205400000000, -0.0099336900000000 ] - [ -0.0011340900000000, -0.0000059200000000, 0.0002266700000000 ] - [ 0.0012082000000000, -0.0005377400000000, -0.0000048300000000 ] - [ -0.0004926800000000, -0.0000335700000000, 0.0001969800000000 ] - [ -0.0004181600000000, 0.0001346200000000, 0.0000938600000000 ] - [ 0.0007910700000000, 0.0009835100000000, 0.0010908000000000 ] - [ -0.0015337100000000, 0.0010907900000000, -0.0012806200000000 ] - [ -0.0001559300000000, -0.0000833100000000, 0.0002034800000000 ] - [ -0.0012089000000000, 0.0004244100000000, -0.0004338500000000 ] - [ -0.0014204400000000, 0.0005040000000000, -0.0010686700000000 ] - [ -0.0011349900000000, -0.0002306900000000, 0.0000864300000000 ] - [ 0.0009995400000000, 0.0005516000000000, 0.0006604400000000 ] - [ -0.0001494100000000, -0.0001623800000000, -0.0000520500000000 ] - [ -0.0018417900000000, 0.0003150500000000, 0.0001554800000000 ] - [ -0.0009919100000000, 0.0000934000000000, 0.0000121800000000 ] - [ -0.0005967100000000, -0.0003810300000000, 0.0023172700000000 ] - [ -0.0012421900000000, -0.0022145500000000, -0.0010331000000000 ] - [ -0.0019139500000000, -0.0010586800000000, 0.0000079400000000 ] - [ 0.1915507000000000, 0.0727761300000000, 0.1048127300000000 ] - [ 0.0010286800000000, 0.0005720200000000, -0.0005944500000000 ] - [ -0.0029078500000000, -0.0006177400000000, 0.0009418400000000 ] - [ 0.0001950300000000, -0.0011955400000000, -0.0012811600000000 ] - [ -0.0010450300000000, 0.0014882000000000, -0.0018312000000000 ] - [ 0.0003578500000000, 0.0001461700000000, -0.0000246400000000 ] - [ 0.0013754100000000, 0.0007515700000000, -0.0000578000000000 ] - [ -0.0002635000000000, 0.0001470300000000, 0.0002263600000000 ] - [ 0.0003811400000000, -0.0000663500000000, 0.0000117200000000 ] - [ -0.0008038200000000, -0.0002013700000000, 0.0001892100000000 ] - [ 0.0505392400000000, -0.0240275500000000, -0.0156969600000000 ] - [ 0.0007454100000000, 0.0004033000000000, -0.0001372200000000 ] - [ 0.0010588000000000, -0.0013757000000000, 0.0010855400000000 ] - [ -0.0008016600000000, 0.0003949100000000, 0.0001106400000000 ] - [ 0.0007579600000000, 0.0045561700000000, 0.0006984300000000 ] - [ -0.0003183600000000, 0.0000439000000000, 0.0001236600000000 ] - [ -0.0003311900000000, 0.0004592400000000, 0.0004832300000000 ] - [ -0.0004588500000000, -0.0001474100000000, -0.0002138000000000 ] - [ 0.0069276700000000, 0.0010623000000000, 0.0022711900000000 ] - [ 0.0000165400000000, -0.0000644200000000, -0.0003589200000000 ] - [ 0.1051241400000000, -0.0752425600000000, 0.0774373400000000 ] - [ -0.0017932300000000, 0.0005458200000000, 0.0000121100000000 ] - [ -0.0007581700000000, -0.0005637600000000, -0.0005056800000000 ] - [ 0.0001460600000000, 0.0000848100000000, -0.0000473500000000 ] - [ 0.0001215000000000, 0.0000772700000000, 0.0000434500000000 ] - [ 0.0006943000000000, -0.0004540100000000, -0.0000882100000000 ] - [ -0.0002498300000000, 0.0004449800000000, 0.0002570800000000 ] - [ -0.0000106400000000, 0.0002282900000000, -0.0015703300000000 ] - [ -0.0006076700000000, 0.0003969800000000, 0.0003673400000000 ] - [ -0.0003868100000000, -0.0000711400000000, -0.0003328200000000 ] - [ -0.0023940800000000, -0.0001627400000000, -0.0010037500000000 ] - [ -0.0031939500000000, -0.0004752500000000, 0.0014512800000000 ] - [ -0.0002268200000000, -0.0001146600000000, 0.0002489200000000 ] - [ -0.0024831700000000, -0.0000906300000000, 0.0011497700000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031062600000000, -0.0011604600000000, 0.0016338600000000 ] - [ -0.0101361200000000, 0.0031122600000000, 0.0032961200000000 ] - [ -0.0001940800000000, 0.0004692300000000, 0.0005157100000000 ] - [ -0.0007048100000000, 0.0002247700000000, -0.0002347700000000 ] - [ 0.0013680700000000, 0.0017570100000000, -0.0010069400000000 ] - [ -0.0007231800000000, 0.0005541200000000, 0.0000746900000000 ] - [ -0.0001259000000000, -0.0003036600000000, -0.0002026200000000 ] - [ 0.0003588800000000, 0.0002682900000000, -0.0003062100000000 ] - [ 0.0004667500000000, 0.0000768600000000, -0.0001178700000000 ] - [ 0.0007476400000000, -0.0003739900000000, 0.0001259300000000 ] - [ -0.0028879100000000, 0.0002890600000000, -0.0002636600000000 ] - [ 0.0055080300000000, 0.0017235200000000, -0.0017504900000000 ] - [ -0.0005040400000000, -0.0001605500000000, 0.0001635400000000 ] - [ -0.0001254100000000, -0.0001133400000000, -0.0000218200000000 ] - [ 0.0002318000000000, 0.0001632300000000, -0.0004770600000000 ] - [ 0.0002678100000000, -0.0000214300000000, -0.0001285800000000 ] - [ -0.0000691400000000, 0.0000481100000000, -0.0003725000000000 ] - [ -0.0018063200000000, -0.0045661800000000, 0.0035168300000000 ] - [ -0.0002293600000000, 0.0001351000000000, 0.0000534900000000 ] - [ 0.0001398600000000, 0.0000218700000000, -0.0002371600000000 ] - [ -0.0015856700000000, -0.0009077300000000, 0.0004837900000000 ] - [ -0.0002681700000000, 0.0001930100000000, 0.0001202600000000 ] - [ -0.0001232900000000, -0.0002577100000000, 0.0003228200000000 ] - [ 0.0005351300000000, -0.0010529100000000, -0.0000968700000000 ] - [ 0.0004390300000000, -0.0001399300000000, -0.0000553800000000 ] - [ -0.0004776500000000, 0.0000283800000000, -0.0000448600000000 ] - [ -0.0004712800000000, -0.0003346900000000, 0.0001985100000000 ] - [ -0.0003952100000000, -0.0008382500000000, -0.0010913600000000 ] - [ -0.0082531600000000, 0.0057222900000000, 0.0043696700000000 ] - [ -0.0044150400000000, -0.0005997100000000, -0.0049011800000000 ] - [ -0.0001487500000000, 0.0001357300000000, 0.0008239700000000 ] - [ 0.0004430500000000, 0.0001972400000000, 0.0002936400000000 ] - [ -0.0056563600000000, -0.0014277100000000, -0.0043480600000000 ] - [ 0.0042495400000000, -0.0009815000000000, 0.0002281100000000 ] - [ 0.0005583200000000, -0.0003618300000000, 0.0007974400000000 ] - [ -0.0005428900000000, 0.0002937900000000, 0.0018774000000000 ] - [ 0.0001164900000000, 0.0026518500000000, -0.0012718000000000 ] - [ -0.0014677000000000, -0.0000865400000000, 0.0000177200000000 ] - [ -0.0003356300000000, -0.0002073500000000, -0.0002207600000000 ] - [ -0.0003687400000000, 0.0000907500000000, -0.0000796300000000 ] - [ -0.0034171900000000, -0.0000764900000000, 0.0016036200000000 ] - [ 0.4502242200000000, 0.0137752300000000, 0.1073505500000000 ] - [ 0.0013488300000000, 0.0005301100000000, 0.0013371500000000 ] - [ -0.0004086900000000, 0.0000886900000000, -0.0000872700000000 ] - [ -0.0006349300000000, 0.0019147100000000, 0.0010012500000000 ] - [ -0.0006688300000000, -0.0019012400000000, -0.0013116300000000 ] - [ 0.0009044600000000, 0.0003118200000000, -0.0003670100000000 ] - [ 0.0008035700000000, -0.0006054900000000, -0.0017177300000000 ] - [ -0.0022285000000000, -0.0001046900000000, -0.0011075900000000 ] - [ -0.0000923300000000, -0.0001618400000000, -0.0001504200000000 ] - [ -0.0016184400000000, -0.0002266700000000, -0.0001048800000000 ] - [ -0.0010059100000000, -0.0001743500000000, 0.0000027600000000 ] - [ 0.0015966300000000, 0.0007816600000000, -0.0010364800000000 ] - [ 0.0001360300000000, 0.0013979000000000, 0.0006838600000000 ] - [ -0.0037125600000000, -0.0008582200000000, 0.0004767700000000 ] - [ -0.0223060200000000, -0.0345099300000000, 0.0007697500000000 ] - [ 0.0190052500000000, 0.0080285800000000, -0.0042482600000000 ] - [ -0.0007770900000000, 0.0002912900000000, 0.0003480500000000 ] - [ -0.0028118800000000, 0.0008658200000000, -0.0011864100000000 ] - [ 0.0010169900000000, -0.0007065100000000, -0.0012194900000000 ] - [ -0.0005778000000000, 0.0003636100000000, 0.0005364600000000 ] - [ -0.0016601000000000, -0.0001108600000000, 0.0010235000000000 ] - [ -0.0023485300000000, -0.0003867400000000, 0.0007073600000000 ] - [ 0.0009581200000000, -0.0010735100000000, 0.0000910500000000 ] - [ -0.0018400900000000, -0.0010647800000000, -0.0004461400000000 ] - [ 0.0013950200000000, 0.0003320800000000, -0.0001276700000000 ] - [ -0.0876656200000000, -0.0371351000000000, 0.0545117600000000 ] - [ 0.0002946700000000, 0.0003800500000000, -0.0008280300000000 ] - [ -0.0006684600000000, -0.0001464600000000, 0.0007638700000000 ] - [ -0.0008637400000000, -0.0004566400000000, -0.0001691000000000 ] - [ -0.0008786100000000, 0.0003447900000000, 0.0001310300000000 ] - [ 0.0010937500000000, -0.0003802100000000, -0.0003547900000000 ] - [ 0.0084804600000000, 0.0051541200000000, 0.0012659100000000 ] - [ 0.0037230300000000, 0.0085698300000000, -0.0053054100000000 ] - [ -0.0005318800000000, 0.0004093200000000, 0.0002396600000000 ] - [ 0.0005162400000000, 0.0004032800000000, -0.0007536600000000 ] - [ -0.0006122800000000, -0.0006375600000000, -0.0005201700000000 ] - [ -0.0006622400000000, 0.0010064500000000, 0.0000848000000000 ] - [ 0.0000817600000000, 0.0000030000000000, -0.0003885000000000 ] - [ 0.0009060300000000, -0.0016223800000000, 0.0004055500000000 ] - [ -0.0079457300000000, 0.0055717900000000, 0.0100286600000000 ] - [ 0.0011769500000000, -0.0000421200000000, -0.0003054100000000 ] - [ -0.0009101600000000, 0.0002632500000000, -0.0002123100000000 ] - [ 0.0003113100000000, 0.0002574600000000, -0.0001846300000000 ] - [ 0.0006285300000000, 0.0000324500000000, 0.0002117500000000 ] - [ -0.0009096100000000, -0.0012109600000000, -0.0006054400000000 ] - [ 0.0016406100000000, -0.0013027900000000, 0.0007789900000000 ] - [ 0.0001140400000000, 0.0000390800000000, -0.0001200800000000 ] - [ 0.0009939500000000, -0.0002602000000000, 0.0001292600000000 ] - [ 0.0014592700000000, -0.0004576200000000, 0.0009808700000000 ] - [ 0.0013144100000000, 0.0000095600000000, -0.0001015200000000 ] - [ -0.0007032400000000, -0.0005934000000000, -0.0008415600000000 ] - [ 0.0003057100000000, -0.0003727500000000, -0.0002140800000000 ] - [ 0.0020279100000000, -0.0000953600000000, -0.0001638400000000 ] - [ 0.0008122600000000, -0.0003193000000000, -0.0000004900000000 ] - [ 0.0002926700000000, 0.0004200700000000, -0.0021236700000000 ] - [ 0.0011404100000000, 0.0019974500000000, 0.0005430800000000 ] - [ 0.0019104700000000, 0.0010498500000000, -0.0000062900000000 ] - [ -0.1847022000000000, -0.0683811600000000, -0.0981103100000000 ] - [ -0.0010273500000000, -0.0005699900000000, 0.0005995300000000 ] - [ 0.0031094400000000, 0.0004389900000000, -0.0006309800000000 ] - [ -0.0002310400000000, 0.0012465400000000, 0.0012002600000000 ] - [ 0.0007428900000000, -0.0015346200000000, 0.0020038900000000 ] - [ -0.0001994600000000, 0.0003885500000000, 0.0002899200000000 ] - [ -0.0010757600000000, -0.0004740300000000, -0.0001610700000000 ] - [ 0.0005723000000000, -0.0001014600000000, -0.0000436300000000 ] - [ -0.0000766700000000, 0.0001114300000000, -0.0001916700000000 ] - [ 0.0010991000000000, -0.0000721700000000, 0.0000281700000000 ] - [ -0.0504210000000000, 0.0233690200000000, 0.0154518900000000 ] - [ -0.0005639500000000, -0.0001815400000000, 0.0001535700000000 ] - [ -0.0008973400000000, 0.0008393900000000, -0.0008202100000000 ] - [ 0.0007988400000000, -0.0003922300000000, -0.0001112000000000 ] - [ -0.0007484200000000, -0.0046171600000000, -0.0007108900000000 ] - [ 0.0006173700000000, 0.0002326600000000, 0.0000930800000000 ] - [ 0.0002962600000000, -0.0005051400000000, -0.0005691400000000 ] - [ 0.0006129600000000, 0.0006820200000000, -0.0000507300000000 ] - [ -0.0067567100000000, -0.0008898500000000, -0.0025869800000000 ] - [ -0.0002232300000000, 0.0002318700000000, 0.0006686600000000 ] - [ -0.1058084700000000, 0.0782548700000000, -0.0801337400000000 ] - [ 0.0016436100000000, -0.0000166400000000, 0.0002507800000000 ] - [ 0.0010679000000000, 0.0005203200000000, 0.0006873800000000 ] - [ -0.0002578300000000, -0.0001689600000000, -0.0005895900000000 ] - [ -0.0002317100000000, 0.0001445900000000, 0.0004465100000000 ] - [ -0.0005843800000000, 0.0003692500000000, 0.0007244500000000 ] - [ 0.0000483300000000, -0.0006116500000000, 0.0000523200000000 ] - [ 0.0001113700000000, -0.0000121200000000, 0.0020618400000000 ] - [ 0.0004891200000000, -0.0003116400000000, 0.0002676500000000 ] - [ 0.0000766100000000, 0.0001150200000000, 0.0001525400000000 ] - [ 0.0025120100000000, 0.0002447600000000, 0.0003613600000000 ] - [ 0.0029078800000000, 0.0002017900000000, -0.0016818500000000 ] - [ 0.0001107000000000, 0.0000292900000000, 0.0003881900000000 ] - [ 0.0023149000000000, -0.0004401600000000, -0.0008713300000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009862000000000, -0.0052576900000000, 0.0000016400000000 ] - [ -0.0039017200000000, -0.0032210300000000, -0.0005396000000000 ] - [ -0.0001730900000000, -0.0000510600000000, 0.0002383000000000 ] - [ -0.0004428400000000, 0.0002110600000000, -0.0003714300000000 ] - [ -0.0024919000000000, 0.0024225700000000, -0.0027538900000000 ] - [ -0.0003581300000000, 0.0003567600000000, 0.0000353700000000 ] - [ 0.0003116300000000, -0.0007102400000000, 0.0002190900000000 ] - [ 0.0002352300000000, 0.0016882600000000, -0.0000894400000000 ] - [ 0.0001326400000000, 0.0001002800000000, -0.0004387200000000 ] - [ 0.0004058600000000, 0.0019548400000000, -0.0000955500000000 ] - [ 0.0006538100000000, -0.0009757100000000, -0.0000663100000000 ] - [ -0.0023975400000000, -0.0025179100000000, -0.0031000900000000 ] - [ 0.0000377300000000, 0.0004323400000000, 0.0001576100000000 ] - [ 0.0000755100000000, 0.0002828600000000, 0.0001979900000000 ] - [ -0.0000236500000000, 0.0005418400000000, -0.0005906600000000 ] - [ -0.0001100400000000, 0.0005285800000000, 0.0000265600000000 ] - [ -0.0001315100000000, -0.0004666400000000, 0.0002654000000000 ] - [ 0.0052099800000000, 0.0029654800000000, -0.0022843700000000 ] - [ 0.0000972500000000, 0.0000994200000000, 0.0001262400000000 ] - [ -0.0001698500000000, -0.0001610500000000, 0.0000024600000000 ] - [ 0.0008934400000000, 0.0004947000000000, -0.0005310400000000 ] - [ -0.0000332400000000, 0.0006895300000000, -0.0000893700000000 ] - [ 0.0002464600000000, 0.0003341000000000, -0.0000272500000000 ] - [ 0.0006279200000000, 0.0027064600000000, -0.0007006200000000 ] - [ -0.0000176500000000, 0.0007801600000000, 0.0001516400000000 ] - [ -0.0000090400000000, -0.0002674600000000, -0.0001074700000000 ] - [ 0.0001916500000000, 0.0010260900000000, -0.0000550600000000 ] - [ 0.0015970100000000, 0.0002006000000000, 0.0010102200000000 ] - [ -0.0047518900000000, -0.0027791200000000, 0.0030855500000000 ] - [ -0.0015555000000000, -0.0037408800000000, -0.0004100300000000 ] - [ -0.0008306400000000, -0.0006342600000000, 0.0010016700000000 ] - [ -0.0000256000000000, 0.0009897700000000, 0.0017073000000000 ] - [ 0.0029118900000000, 0.0000449000000000, 0.0025238300000000 ] - [ -0.0009643600000000, 0.0046126600000000, 0.0052711400000000 ] - [ -0.0000984000000000, 0.0005859800000000, -0.0007695200000000 ] - [ 0.0004637600000000, -0.0007937100000000, -0.0013594300000000 ] - [ -0.0018993600000000, 0.0059648300000000, -0.0037941300000000 ] - [ 0.0004029500000000, -0.0000138500000000, 0.0001294400000000 ] - [ 0.0001528700000000, -0.0000104500000000, 0.0001818500000000 ] - [ -0.0000312800000000, 0.0005575800000000, 0.0000639300000000 ] - [ 0.0001781200000000, -0.0005464500000000, -0.0001469700000000 ] - [ -0.0153814300000000, -0.4082083200000000, 0.0422020000000000 ] - [ -0.0002401700000000, 0.0043299900000000, 0.0003865800000000 ] - [ 0.0002016100000000, 0.0011434500000000, -0.0001012400000000 ] - [ -0.0055132500000000, 0.0087674200000000, 0.0024418200000000 ] - [ 0.0000754200000000, 0.0021716000000000, 0.0012272600000000 ] - [ 0.0000193000000000, -0.0013694800000000, -0.0004223900000000 ] - [ 0.0004908900000000, -0.0018323000000000, -0.0018005900000000 ] - [ -0.0017058400000000, 0.0012050800000000, -0.0005893300000000 ] - [ 0.0002430300000000, 0.0009661500000000, 0.0005283400000000 ] - [ 0.0000702000000000, -0.0007316100000000, 0.0001343700000000 ] - [ 0.0001154600000000, 0.0021174900000000, -0.0007491600000000 ] - [ 0.0002229200000000, -0.0009055000000000, 0.0006272800000000 ] - [ -0.0021573100000000, 0.0023629100000000, 0.0007786500000000 ] - [ 0.0005662000000000, -0.0014701200000000, 0.0001070700000000 ] - [ 0.0232670400000000, 0.0165353400000000, -0.0100624500000000 ] - [ 0.0169233000000000, 0.0422686600000000, 0.0228620800000000 ] - [ 0.0006557600000000, 0.0006953900000000, -0.0007065200000000 ] - [ 0.0002617200000000, -0.0018234200000000, -0.0009314400000000 ] - [ -0.0001424800000000, 0.0009338400000000, 0.0014992700000000 ] - [ -0.0010426600000000, 0.0019689700000000, 0.0015478500000000 ] - [ 0.0005635200000000, -0.0007922500000000, -0.0005234800000000 ] - [ -0.0006785000000000, -0.0016324100000000, 0.0005567800000000 ] - [ -0.0007790200000000, 0.0019216100000000, -0.0001219300000000 ] - [ 0.0007349800000000, 0.0014569000000000, -0.0011872800000000 ] - [ 0.0001016800000000, 0.0013286400000000, -0.0000413100000000 ] - [ 0.0389246900000000, 0.0609016100000000, -0.0336382700000000 ] - [ -0.0004405400000000, -0.0007595900000000, 0.0002889000000000 ] - [ -0.0001183500000000, 0.0002686100000000, 0.0002410300000000 ] - [ 0.0001791300000000, 0.0004378000000000, 0.0002661400000000 ] - [ -0.0001674400000000, 0.0011173600000000, -0.0000653000000000 ] - [ -0.0002339200000000, 0.0009006900000000, -0.0003365400000000 ] - [ -0.0085139200000000, 0.0001997600000000, -0.0018979100000000 ] - [ -0.0023833000000000, -0.0032455200000000, 0.0047364000000000 ] - [ 0.0000220300000000, -0.0014685700000000, -0.0000054300000000 ] - [ -0.0000541400000000, 0.0002465500000000, -0.0000742500000000 ] - [ 0.0001848500000000, -0.0042747200000000, -0.0014304400000000 ] - [ 0.0005756400000000, -0.0014689700000000, -0.0006565500000000 ] - [ 0.0002184900000000, -0.0003021500000000, -0.0007634900000000 ] - [ 0.0011687700000000, -0.0011144400000000, -0.0001882100000000 ] - [ -0.0086673000000000, -0.0087976800000000, 0.0025359600000000 ] - [ -0.0001112700000000, 0.0003485700000000, 0.0005501200000000 ] - [ 0.0006714100000000, -0.0017794700000000, 0.0005843000000000 ] - [ -0.0003234400000000, -0.0005002900000000, 0.0002027700000000 ] - [ 0.0001062000000000, 0.0003885400000000, 0.0001986000000000 ] - [ 0.0011432800000000, -0.0009243400000000, -0.0003256000000000 ] - [ 0.0007989400000000, 0.0005998400000000, 0.0007780300000000 ] - [ -0.0002338600000000, -0.0002352400000000, -0.0000494700000000 ] - [ 0.0011037100000000, -0.0009837200000000, 0.0001837800000000 ] - [ -0.0000836400000000, 0.0003315800000000, 0.0002599900000000 ] - [ -0.0002138500000000, 0.0006361800000000, -0.0001186900000000 ] - [ 0.0012179500000000, -0.0027917700000000, -0.0007408800000000 ] - [ 0.0001657100000000, -0.0007249300000000, -0.0002840300000000 ] - [ 0.0005723100000000, 0.0012156800000000, 0.0002666500000000 ] - [ 0.0002787700000000, -0.0016583500000000, -0.0002989400000000 ] - [ -0.0007009300000000, 0.0015859200000000, 0.0007909600000000 ] - [ -0.0009476000000000, -0.0018265300000000, -0.0011150500000000 ] - [ 0.0004586900000000, 0.0000403900000000, 0.0001427800000000 ] - [ 0.0697795000000000, 0.0767857700000000, 0.0483662100000000 ] - [ 0.0000583800000000, 0.0000700400000000, -0.0006530200000000 ] - [ -0.0008980100000000, 0.0011801800000000, 0.0003120200000000 ] - [ -0.0001784500000000, -0.0010410200000000, -0.0008996200000000 ] - [ 0.0002028700000000, 0.0017319600000000, -0.0000089000000000 ] - [ 0.0002290200000000, -0.0004976700000000, 0.0002313200000000 ] - [ -0.0004743800000000, -0.0016136900000000, 0.0003061700000000 ] - [ 0.0006616000000000, -0.0007317400000000, -0.0000904600000000 ] - [ 0.0000819700000000, -0.0007453400000000, -0.0003037900000000 ] - [ 0.0001872300000000, -0.0010778200000000, 0.0001258300000000 ] - [ -0.0268313900000000, 0.0926454200000000, 0.0370141100000000 ] - [ -0.0001047800000000, 0.0013574600000000, -0.0002302500000000 ] - [ 0.0001245400000000, -0.0030426800000000, 0.0011565900000000 ] - [ -0.0002462600000000, 0.0000966200000000, 0.0001538500000000 ] - [ 0.0047064100000000, -0.0125305200000000, -0.0032075100000000 ] - [ 0.0000292000000000, -0.0003076100000000, 0.0001827100000000 ] - [ 0.0020553800000000, -0.0017590800000000, -0.0020887900000000 ] - [ -0.0005470700000000, -0.0013974500000000, 0.0001322500000000 ] - [ -0.0085073000000000, -0.0023346300000000, -0.0107293900000000 ] - [ -0.0001822700000000, -0.0003953000000000, -0.0002077300000000 ] - [ -0.0775723500000000, 0.1399623800000000, -0.0979299100000000 ] - [ -0.0006163100000000, 0.0008664300000000, -0.0000878500000000 ] - [ -0.0003246600000000, -0.0008103900000000, -0.0004050300000000 ] - [ -0.0004465200000000, -0.0017091400000000, -0.0002893500000000 ] - [ -0.0004843200000000, -0.0008294900000000, -0.0005361000000000 ] - [ -0.0005032900000000, 0.0012609600000000, 0.0006376700000000 ] - [ 0.0016288200000000, -0.0027357100000000, 0.0004779800000000 ] - [ 0.0005130200000000, 0.0006678800000000, 0.0026055900000000 ] - [ 0.0008837300000000, -0.0019461000000000, 0.0004339000000000 ] - [ 0.0001519300000000, 0.0008434900000000, 0.0006064700000000 ] - [ -0.0000589700000000, 0.0013563700000000, -0.0001237400000000 ] - [ -0.0000266400000000, 0.0008757000000000, -0.0003705700000000 ] - [ -0.0004645700000000, -0.0009036000000000, 0.0001254800000000 ] - [ 0.0003098700000000, 0.0005133400000000, -0.0004821000000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009752200000000, 0.0053011300000000, 0.0001455800000000 ] - [ 0.0037430000000000, 0.0033216900000000, 0.0006982500000000 ] - [ 0.0001390800000000, 0.0002614200000000, -0.0002269500000000 ] - [ 0.0002513800000000, 0.0000029900000000, 0.0003444900000000 ] - [ 0.0023125200000000, -0.0026504100000000, 0.0027924500000000 ] - [ 0.0003918800000000, -0.0001405400000000, -0.0000459900000000 ] - [ -0.0005886300000000, 0.0005491800000000, -0.0005241800000000 ] - [ -0.0000879200000000, -0.0017814400000000, -0.0000755100000000 ] - [ -0.0003263500000000, 0.0001136400000000, 0.0004659000000000 ] - [ -0.0004160000000000, -0.0019973400000000, -0.0000211600000000 ] - [ -0.0006391100000000, 0.0009276100000000, -0.0000505900000000 ] - [ 0.0024034100000000, 0.0024814100000000, 0.0032088100000000 ] - [ -0.0000514300000000, -0.0004801500000000, -0.0000404400000000 ] - [ 0.0000735300000000, -0.0003756800000000, -0.0000345400000000 ] - [ 0.0002991700000000, -0.0007076100000000, 0.0002845700000000 ] - [ 0.0000968400000000, -0.0004797700000000, -0.0001422100000000 ] - [ -0.0000173200000000, 0.0003725600000000, -0.0001034300000000 ] - [ -0.0051977900000000, -0.0027417900000000, 0.0022521800000000 ] - [ 0.0000959000000000, 0.0001191900000000, -0.0000991200000000 ] - [ 0.0001365600000000, -0.0000497400000000, -0.0000125200000000 ] - [ -0.0010869000000000, -0.0007088000000000, 0.0005038900000000 ] - [ 0.0003108700000000, -0.0005236400000000, 0.0003951300000000 ] - [ 0.0000312700000000, -0.0004989200000000, 0.0003312100000000 ] - [ -0.0003538700000000, -0.0025445800000000, 0.0003984700000000 ] - [ 0.0001641700000000, -0.0006855100000000, -0.0003114700000000 ] - [ 0.0000227300000000, 0.0003152800000000, -0.0000079900000000 ] - [ -0.0000411700000000, -0.0009313000000000, 0.0002172400000000 ] - [ -0.0016359200000000, -0.0004094000000000, -0.0010024100000000 ] - [ 0.0044656000000000, 0.0029178300000000, -0.0033876000000000 ] - [ 0.0014108800000000, 0.0036439500000000, 0.0002489100000000 ] - [ 0.0005524600000000, 0.0004725400000000, -0.0006940100000000 ] - [ 0.0002203500000000, -0.0007713600000000, -0.0017362500000000 ] - [ -0.0031682700000000, 0.0001148400000000, -0.0022039700000000 ] - [ 0.0011467800000000, -0.0047877900000000, -0.0052367300000000 ] - [ 0.0001315300000000, -0.0003696500000000, 0.0007807900000000 ] - [ -0.0006087800000000, 0.0008874600000000, 0.0011918500000000 ] - [ 0.0019157600000000, -0.0061687400000000, 0.0037793700000000 ] - [ -0.0002093900000000, -0.0002057800000000, -0.0001016900000000 ] - [ -0.0001189700000000, -0.0002046300000000, -0.0001916500000000 ] - [ 0.0000180900000000, -0.0005091800000000, 0.0000510600000000 ] - [ -0.0002700500000000, 0.0009730100000000, 0.0007771400000000 ] - [ 0.0166950400000000, 0.4107196900000000, -0.0361162000000000 ] - [ 0.0003381000000000, -0.0038432200000000, 0.0000061200000000 ] - [ -0.0001033200000000, -0.0006608500000000, -0.0002968800000000 ] - [ 0.0056114100000000, -0.0083321800000000, -0.0018113800000000 ] - [ -0.0003820700000000, -0.0021082900000000, -0.0009408600000000 ] - [ -0.0001206700000000, 0.0018500000000000, 0.0000238800000000 ] - [ -0.0001814900000000, 0.0017684300000000, 0.0015288800000000 ] - [ 0.0018005300000000, -0.0016447900000000, -0.0000500600000000 ] - [ -0.0005544400000000, -0.0010275700000000, -0.0008093600000000 ] - [ -0.0001693100000000, 0.0003006000000000, 0.0005005800000000 ] - [ -0.0000192600000000, -0.0025979700000000, 0.0003470600000000 ] - [ -0.0003216200000000, 0.0013306700000000, -0.0012553300000000 ] - [ 0.0018297100000000, -0.0023037800000000, -0.0010573900000000 ] - [ -0.0006679000000000, 0.0009876300000000, 0.0002911400000000 ] - [ -0.0231661900000000, -0.0164116300000000, 0.0099101200000000 ] - [ -0.0169779400000000, -0.0429999200000000, -0.0238347100000000 ] - [ -0.0005593400000000, -0.0002586200000000, 0.0000733500000000 ] - [ 0.0000432300000000, 0.0018921700000000, 0.0012105100000000 ] - [ 0.0002428000000000, -0.0013708400000000, -0.0008576000000000 ] - [ 0.0007347600000000, -0.0020279500000000, -0.0012710800000000 ] - [ -0.0002527200000000, 0.0007262600000000, 0.0008002800000000 ] - [ 0.0005838700000000, 0.0021138900000000, -0.0001572500000000 ] - [ 0.0008824700000000, -0.0024006800000000, 0.0005253800000000 ] - [ -0.0005261600000000, -0.0016136700000000, 0.0008720000000000 ] - [ -0.0004029100000000, -0.0010558200000000, -0.0001784600000000 ] - [ -0.0400375700000000, -0.0611153400000000, 0.0354601600000000 ] - [ 0.0002349200000000, 0.0005895000000000, -0.0006004000000000 ] - [ 0.0001612900000000, -0.0003121700000000, -0.0001618400000000 ] - [ -0.0003367300000000, -0.0009735900000000, -0.0005281000000000 ] - [ -0.0001279600000000, -0.0008440600000000, 0.0002808500000000 ] - [ 0.0003470000000000, -0.0009832100000000, -0.0003009500000000 ] - [ 0.0081842700000000, -0.0002759600000000, 0.0016964700000000 ] - [ 0.0024990600000000, 0.0029764100000000, -0.0042472900000000 ] - [ -0.0002045300000000, 0.0012460500000000, -0.0000112100000000 ] - [ 0.0001624200000000, -0.0000269300000000, -0.0004107600000000 ] - [ -0.0003644600000000, 0.0044908700000000, 0.0014177700000000 ] - [ -0.0006919700000000, 0.0015530100000000, 0.0000178700000000 ] - [ -0.0003276800000000, 0.0005175900000000, 0.0002784700000000 ] - [ -0.0012026700000000, 0.0011653900000000, 0.0002762900000000 ] - [ 0.0087608200000000, 0.0088476700000000, -0.0024648200000000 ] - [ 0.0001495200000000, -0.0003903000000000, -0.0006328600000000 ] - [ -0.0003748300000000, 0.0015028000000000, -0.0008060300000000 ] - [ 0.0001433000000000, 0.0007217800000000, -0.0001900900000000 ] - [ 0.0001024000000000, -0.0002224400000000, 0.0001082200000000 ] - [ -0.0012415800000000, 0.0007052400000000, 0.0008121700000000 ] - [ -0.0006916400000000, -0.0008258100000000, -0.0012675300000000 ] - [ 0.0001944200000000, 0.0001874900000000, 0.0001338800000000 ] - [ -0.0013079400000000, 0.0011532200000000, -0.0004901500000000 ] - [ 0.0001255800000000, -0.0002872000000000, -0.0003434200000000 ] - [ 0.0003929900000000, -0.0008597000000000, 0.0001062000000000 ] - [ -0.0008970800000000, 0.0027395200000000, 0.0005579400000000 ] - [ -0.0000073600000000, 0.0001897400000000, 0.0000159100000000 ] - [ -0.0003989000000000, -0.0009892600000000, -0.0002779200000000 ] - [ -0.0004572400000000, 0.0014370100000000, 0.0003129200000000 ] - [ 0.0003943200000000, -0.0015347600000000, -0.0006070700000000 ] - [ 0.0008310000000000, 0.0016056000000000, 0.0006219300000000 ] - [ -0.0004571800000000, -0.0000352500000000, -0.0001417100000000 ] - [ -0.0687527100000000, -0.0774280900000000, -0.0472800800000000 ] - [ -0.0000561100000000, -0.0000642300000000, 0.0006485500000000 ] - [ 0.0010994600000000, -0.0013423100000000, -0.0000013300000000 ] - [ 0.0001348500000000, 0.0010916200000000, 0.0008120400000000 ] - [ -0.0005067100000000, -0.0017832500000000, 0.0001937900000000 ] - [ -0.0000744900000000, 0.0010283300000000, 0.0000302500000000 ] - [ 0.0007724900000000, 0.0018890300000000, -0.0005203300000000 ] - [ -0.0003543300000000, 0.0007744700000000, 0.0002736300000000 ] - [ 0.0002270900000000, 0.0007887000000000, 0.0001222600000000 ] - [ 0.0001093000000000, 0.0008006200000000, 0.0000919900000000 ] - [ 0.0293449600000000, -0.0978933300000000, -0.0406630800000000 ] - [ 0.0002834700000000, -0.0011301700000000, 0.0002424500000000 ] - [ 0.0000306400000000, 0.0025026000000000, -0.0008858100000000 ] - [ 0.0002475500000000, -0.0000992100000000, -0.0001536600000000 ] - [ -0.0047191200000000, 0.0124806200000000, 0.0032205800000000 ] - [ 0.0002689500000000, 0.0005848700000000, 0.0000332800000000 ] - [ -0.0020981300000000, 0.0017093200000000, 0.0020080200000000 ] - [ 0.0007058800000000, 0.0019294900000000, -0.0003952300000000 ] - [ 0.0087079600000000, 0.0025061400000000, 0.0104444200000000 ] - [ -0.0000270300000000, 0.0005633900000000, 0.0005130400000000 ] - [ 0.0736959000000000, -0.1364032100000000, 0.0929394000000000 ] - [ 0.0004613700000000, -0.0003321400000000, 0.0003540400000000 ] - [ 0.0006288800000000, 0.0007655800000000, 0.0005833700000000 ] - [ 0.0003291300000000, 0.0016203600000000, -0.0003438300000000 ] - [ 0.0003775500000000, 0.0010481900000000, 0.0010267200000000 ] - [ 0.0006173700000000, -0.0013468200000000, -0.0000040500000000 ] - [ -0.0018375800000000, 0.0025665100000000, -0.0001647600000000 ] - [ -0.0004055100000000, -0.0004408100000000, -0.0021234200000000 ] - [ -0.0009918400000000, 0.0020294600000000, 0.0002038300000000 ] - [ -0.0004611200000000, -0.0007983800000000, -0.0007911000000000 ] - [ 0.0001750600000000, -0.0012715700000000, -0.0005117900000000 ] - [ -0.0002700400000000, -0.0011495600000000, 0.0001525900000000 ] - [ 0.0003496700000000, 0.0008180000000000, 0.0005117200000000 ] - [ -0.0004660400000000, -0.0010506800000000, 0.0007479900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016187100000000, 0.0000224100000000, 0.0129232300000000 ] - [ -0.0029218000000000, -0.0007151000000000, -0.0027738700000000 ] - [ -0.0003425300000000, 0.0005160000000000, 0.0005488400000000 ] - [ 0.0003635800000000, -0.0000945900000000, 0.0004254200000000 ] - [ 0.0004945500000000, -0.0015044500000000, -0.0023178900000000 ] - [ -0.0003140700000000, 0.0000184600000000, -0.0004987700000000 ] - [ 0.0001454200000000, 0.0001829900000000, 0.0009198400000000 ] - [ 0.0004940800000000, -0.0003131900000000, -0.0002485900000000 ] - [ -0.0004779300000000, -0.0004200700000000, 0.0012517400000000 ] - [ -0.0002167700000000, 0.0001978400000000, -0.0009769900000000 ] - [ -0.0005941000000000, 0.0002199500000000, -0.0008945200000000 ] - [ 0.0021332500000000, -0.0036147900000000, 0.0121226700000000 ] - [ 0.0000265400000000, -0.0000341100000000, 0.0000458800000000 ] - [ 0.0001012300000000, -0.0000087000000000, 0.0004303200000000 ] - [ 0.0003390200000000, -0.0003712900000000, 0.0006281400000000 ] - [ -0.0000954500000000, 0.0000621800000000, 0.0005947300000000 ] - [ 0.0000538200000000, 0.0000363500000000, 0.0011944500000000 ] - [ -0.0025750000000000, -0.0007349300000000, -0.0026988100000000 ] - [ 0.0000800500000000, 0.0001300000000000, 0.0003799400000000 ] - [ 0.0000970800000000, -0.0004182200000000, 0.0008707900000000 ] - [ -0.0008190600000000, -0.0008526600000000, 0.0000725500000000 ] - [ 0.0001015200000000, -0.0001039400000000, -0.0000608700000000 ] - [ 0.0000362300000000, -0.0001382600000000, 0.0003199100000000 ] - [ 0.0002009800000000, -0.0007680800000000, -0.0007737200000000 ] - [ -0.0000909300000000, 0.0001399900000000, 0.0001731000000000 ] - [ 0.0001173900000000, 0.0000762400000000, 0.0006541200000000 ] - [ -0.0000285300000000, 0.0002806600000000, -0.0003377100000000 ] - [ 0.0008405800000000, 0.0003048800000000, -0.0010711300000000 ] - [ -0.0032428700000000, 0.0040541400000000, -0.0023880800000000 ] - [ 0.0054979800000000, 0.0009860500000000, 0.0015197400000000 ] - [ -0.0009360200000000, 0.0002728800000000, 0.0009013000000000 ] - [ 0.0000653800000000, 0.0009134300000000, 0.0013767000000000 ] - [ 0.0039282000000000, 0.0014566000000000, 0.0025433000000000 ] - [ -0.0013902200000000, 0.0046046700000000, 0.0001211600000000 ] - [ 0.0000341900000000, -0.0007177200000000, 0.0009632000000000 ] - [ -0.0012817900000000, 0.0002034100000000, 0.0017288400000000 ] - [ 0.0010625400000000, -0.0045383200000000, 0.0016500100000000 ] - [ 0.0004116000000000, 0.0002020300000000, -0.0003940600000000 ] - [ 0.0000984500000000, 0.0000318100000000, 0.0005351600000000 ] - [ 0.0001253000000000, -0.0000577200000000, 0.0000992100000000 ] - [ 0.0008720200000000, 0.0002270800000000, -0.0012883700000000 ] - [ -0.1101220200000000, 0.0378482700000000, -0.4173285900000000 ] - [ -0.0010875700000000, 0.0004303200000000, 0.0002655700000000 ] - [ 0.0001605400000000, 0.0001433700000000, 0.0006435600000000 ] - [ -0.0039063400000000, 0.0044108000000000, 0.0001810500000000 ] - [ 0.0002707700000000, 0.0012033800000000, 0.0004185400000000 ] - [ 0.0001179000000000, 0.0004633700000000, 0.0047762200000000 ] - [ 0.0002847400000000, -0.0002382700000000, 0.0038924700000000 ] - [ 0.0013669500000000, -0.0006888500000000, -0.0014226800000000 ] - [ 0.0001289600000000, 0.0000323000000000, 0.0011240800000000 ] - [ -0.0000692700000000, -0.0005943100000000, 0.0017225500000000 ] - [ 0.0002516300000000, -0.0007914300000000, -0.0010108000000000 ] - [ 0.0005977700000000, 0.0014323400000000, 0.0043273200000000 ] - [ 0.0003740200000000, -0.0002888500000000, -0.0026780900000000 ] - [ 0.0002236200000000, -0.0001476900000000, 0.0010757400000000 ] - [ -0.0159203500000000, -0.0299461900000000, -0.0074849400000000 ] - [ 0.0174674100000000, 0.0306160300000000, 0.0022518500000000 ] - [ 0.0000679400000000, -0.0001644700000000, 0.0009979900000000 ] - [ 0.0023345600000000, -0.0016157200000000, -0.0009208200000000 ] - [ 0.0004552600000000, 0.0008594100000000, 0.0018515300000000 ] - [ -0.0011123900000000, 0.0003988200000000, 0.0010983600000000 ] - [ -0.0019850900000000, -0.0008957200000000, 0.0010952800000000 ] - [ 0.0004639100000000, 0.0005974500000000, -0.0004713300000000 ] - [ 0.0001581200000000, 0.0000822200000000, 0.0003317000000000 ] - [ 0.0005779000000000, -0.0018849400000000, -0.0039151600000000 ] - [ -0.0009911800000000, -0.0003013100000000, -0.0004049400000000 ] - [ -0.0504769500000000, -0.0321126700000000, 0.0848867800000000 ] - [ 0.0001659500000000, 0.0003716300000000, -0.0008395300000000 ] - [ 0.0009588800000000, 0.0000187400000000, -0.0029895800000000 ] - [ -0.0000680600000000, -0.0002677200000000, -0.0033619400000000 ] - [ -0.0003218400000000, -0.0000934200000000, -0.0026481300000000 ] - [ 0.0006564000000000, -0.0001887400000000, -0.0005293100000000 ] - [ 0.0091338000000000, 0.0042908600000000, 0.0055509800000000 ] - [ 0.0035969600000000, 0.0070405000000000, -0.0023645700000000 ] - [ -0.0001390800000000, -0.0005526100000000, -0.0004057500000000 ] - [ 0.0006089400000000, 0.0004185000000000, -0.0013440000000000 ] - [ 0.0003904800000000, -0.0014319900000000, -0.0002124000000000 ] - [ 0.0000935000000000, -0.0004268700000000, -0.0002208700000000 ] - [ 0.0001877900000000, 0.0000421100000000, -0.0009982300000000 ] - [ -0.0006200900000000, 0.0005112600000000, 0.0014793800000000 ] - [ -0.0092927900000000, 0.0042822400000000, 0.0133283900000000 ] - [ 0.0004478600000000, 0.0004032800000000, 0.0005515700000000 ] - [ 0.0000051400000000, 0.0000298800000000, 0.0000592400000000 ] - [ -0.0000398200000000, 0.0004700000000000, -0.0005425100000000 ] - [ 0.0001612300000000, 0.0001450100000000, -0.0007397800000000 ] - [ 0.0003580000000000, -0.0009987200000000, 0.0013337200000000 ] - [ -0.0002249200000000, 0.0005997000000000, 0.0010540100000000 ] - [ -0.0003446300000000, 0.0000911800000000, -0.0009349000000000 ] - [ -0.0014246200000000, 0.0006033100000000, 0.0001400100000000 ] - [ -0.0006645600000000, 0.0006142300000000, -0.0005937800000000 ] - [ 0.0003329400000000, 0.0001842300000000, -0.0006778500000000 ] - [ -0.0000691100000000, 0.0007836400000000, 0.0016995000000000 ] - [ 0.0001157400000000, -0.0004215600000000, -0.0006942900000000 ] - [ -0.0009383000000000, 0.0002401700000000, 0.0006783600000000 ] - [ -0.0004340400000000, 0.0005033600000000, 0.0006199500000000 ] - [ 0.0029547700000000, 0.0011646800000000, -0.0007324600000000 ] - [ -0.0006402500000000, -0.0013689700000000, 0.0000838700000000 ] - [ -0.0006663600000000, -0.0002017400000000, 0.0005037500000000 ] - [ 0.1036907400000000, 0.0492927300000000, 0.1134498700000000 ] - [ -0.0005788000000000, -0.0008174000000000, -0.0011310000000000 ] - [ -0.0004481000000000, -0.0001565500000000, 0.0015489200000000 ] - [ -0.0002108500000000, -0.0009848800000000, -0.0007405300000000 ] - [ -0.0027582100000000, 0.0017098100000000, -0.0005235700000000 ] - [ -0.0000269100000000, 0.0003050200000000, -0.0002086100000000 ] - [ 0.0008564400000000, 0.0007347800000000, -0.0007372000000000 ] - [ 0.0005812900000000, -0.0000903700000000, 0.0000633700000000 ] - [ 0.0000802600000000, 0.0000688100000000, -0.0009137400000000 ] - [ 0.0000038300000000, 0.0002154200000000, 0.0007017600000000 ] - [ -0.0191675200000000, 0.0358706500000000, 0.0574612700000000 ] - [ 0.0001403800000000, 0.0005076100000000, -0.0027239500000000 ] - [ 0.0010253200000000, -0.0006184100000000, 0.0006854800000000 ] - [ -0.0001564100000000, 0.0003796000000000, -0.0005712300000000 ] - [ 0.0018615700000000, -0.0094033500000000, -0.0013598500000000 ] - [ 0.0001694100000000, 0.0002469300000000, -0.0003869800000000 ] - [ 0.0012550700000000, -0.0008494800000000, -0.0008424400000000 ] - [ -0.0001101300000000, 0.0004063200000000, 0.0005356300000000 ] - [ -0.0044185800000000, -0.0059869900000000, -0.0035858000000000 ] - [ -0.0002653900000000, -0.0000974700000000, -0.0009286800000000 ] - [ 0.0764566300000000, -0.0937819400000000, 0.1375808800000000 ] - [ -0.0003847300000000, 0.0001254800000000, -0.0007538800000000 ] - [ -0.0002222500000000, -0.0003327600000000, -0.0001851700000000 ] - [ 0.0004395700000000, -0.0000478000000000, -0.0007484300000000 ] - [ -0.0004900500000000, -0.0003209400000000, -0.0004940300000000 ] - [ -0.0000127500000000, -0.0005469000000000, -0.0028438800000000 ] - [ 0.0010087000000000, -0.0009127600000000, 0.0014878400000000 ] - [ -0.0009481500000000, 0.0004011600000000, -0.0028571700000000 ] - [ -0.0001475600000000, 0.0002842200000000, 0.0009163600000000 ] - [ -0.0007122400000000, -0.0002421400000000, -0.0017651700000000 ] - [ -0.0008000200000000, 0.0003150700000000, -0.0004081400000000 ] - [ 0.0000833400000000, -0.0005134600000000, -0.0002413800000000 ] - [ -0.0003535100000000, -0.0001547400000000, -0.0002073800000000 ] - [ -0.0001263300000000, -0.0004429900000000, 0.0008998300000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016605300000000, 0.0000212600000000, -0.0129899600000000 ] - [ 0.0027592900000000, 0.0008072400000000, 0.0029476700000000 ] - [ 0.0003056900000000, -0.0003007100000000, -0.0005422600000000 ] - [ -0.0005578100000000, 0.0003138800000000, -0.0004499600000000 ] - [ -0.0006863800000000, 0.0012836100000000, 0.0023349000000000 ] - [ 0.0003459700000000, 0.0001952300000000, 0.0004891800000000 ] - [ -0.0004266600000000, -0.0003499000000000, -0.0012242100000000 ] - [ -0.0003447900000000, 0.0002165100000000, 0.0000880400000000 ] - [ 0.0002874300000000, 0.0006439100000000, -0.0012246800000000 ] - [ 0.0002022700000000, -0.0002500700000000, 0.0008586600000000 ] - [ 0.0006063600000000, -0.0002666100000000, 0.0007778600000000 ] - [ -0.0021012200000000, 0.0035018400000000, -0.0118494000000000 ] - [ -0.0000396100000000, -0.0000145300000000, 0.0000679400000000 ] - [ 0.0000474200000000, -0.0000852600000000, -0.0002674900000000 ] - [ -0.0000625500000000, 0.0002104300000000, -0.0009301000000000 ] - [ 0.0000826600000000, -0.0000144900000000, -0.0007094200000000 ] - [ -0.0001962400000000, -0.0001283300000000, -0.0010319600000000 ] - [ 0.0025483900000000, 0.0009576400000000, 0.0026977100000000 ] - [ 0.0001125300000000, 0.0000858300000000, -0.0003515700000000 ] - [ -0.0001272200000000, 0.0002006900000000, -0.0008799500000000 ] - [ 0.0006265800000000, 0.0006354000000000, -0.0001012700000000 ] - [ 0.0001749800000000, 0.0002667900000000, 0.0003642900000000 ] - [ 0.0002398500000000, -0.0000244800000000, -0.0000125700000000 ] - [ 0.0000755200000000, 0.0009302700000000, 0.0004675000000000 ] - [ 0.0002387600000000, -0.0000463400000000, -0.0003380500000000 ] - [ -0.0001050600000000, -0.0000281700000000, -0.0007701000000000 ] - [ 0.0001753600000000, -0.0001888200000000, 0.0005008300000000 ] - [ -0.0008772800000000, -0.0005200800000000, 0.0010838400000000 ] - [ 0.0029626400000000, -0.0038881600000000, 0.0020651800000000 ] - [ -0.0056837500000000, -0.0010780100000000, -0.0016835600000000 ] - [ 0.0006644300000000, -0.0004413100000000, -0.0005919400000000 ] - [ 0.0001289800000000, -0.0007031100000000, -0.0014020300000000 ] - [ -0.0041848200000000, -0.0012814400000000, -0.0022360400000000 ] - [ 0.0015789500000000, -0.0047826400000000, -0.0001576600000000 ] - [ -0.0000032500000000, 0.0009253800000000, -0.0009557700000000 ] - [ 0.0011240700000000, -0.0001120100000000, -0.0018955100000000 ] - [ -0.0010371900000000, 0.0043542500000000, -0.0016371400000000 ] - [ -0.0002183900000000, -0.0004191400000000, 0.0004193500000000 ] - [ -0.0000646600000000, -0.0002441500000000, -0.0005464700000000 ] - [ -0.0001383000000000, 0.0001052400000000, 0.0000185600000000 ] - [ -0.0009707800000000, 0.0002109000000000, 0.0019353000000000 ] - [ 0.1121718600000000, -0.0405183800000000, 0.4174127700000000 ] - [ 0.0011870400000000, 0.0000494800000000, 0.0001409700000000 ] - [ -0.0000629900000000, 0.0003388200000000, -0.0010410200000000 ] - [ 0.0039895600000000, -0.0039670300000000, 0.0004594900000000 ] - [ -0.0005784000000000, -0.0011424900000000, -0.0001494300000000 ] - [ -0.0002150300000000, 0.0000161700000000, -0.0051753300000000 ] - [ 0.0000097200000000, 0.0001839500000000, -0.0041743400000000 ] - [ -0.0012621700000000, 0.0002509600000000, 0.0007937800000000 ] - [ -0.0004401900000000, -0.0000975000000000, -0.0014027000000000 ] - [ -0.0000259600000000, 0.0001596200000000, -0.0010878600000000 ] - [ -0.0001497200000000, 0.0003055900000000, 0.0006121100000000 ] - [ -0.0006860500000000, -0.0009788800000000, -0.0049505700000000 ] - [ -0.0006776700000000, 0.0003437600000000, 0.0023899300000000 ] - [ -0.0003215400000000, -0.0003307600000000, -0.0006808200000000 ] - [ 0.0161683100000000, 0.0299894100000000, 0.0072564600000000 ] - [ -0.0175066300000000, -0.0311579800000000, -0.0028296300000000 ] - [ 0.0000292000000000, 0.0005958300000000, -0.0016353200000000 ] - [ -0.0020101100000000, 0.0016760700000000, 0.0011845100000000 ] - [ -0.0003499100000000, -0.0012844500000000, -0.0012230800000000 ] - [ 0.0008004200000000, -0.0004631100000000, -0.0008134000000000 ] - [ 0.0023107300000000, 0.0008386800000000, -0.0008143600000000 ] - [ -0.0005644000000000, -0.0001169500000000, 0.0008783500000000 ] - [ -0.0000580300000000, -0.0005641400000000, 0.0000610500000000 ] - [ -0.0003629800000000, 0.0016989900000000, 0.0035868400000000 ] - [ 0.0006978700000000, 0.0005780300000000, 0.0001838700000000 ] - [ 0.0475698200000000, 0.0301192000000000, -0.0822384800000000 ] - [ -0.0003727800000000, -0.0005385500000000, 0.0005323700000000 ] - [ -0.0009159600000000, -0.0000712800000000, 0.0030679200000000 ] - [ -0.0000807900000000, -0.0002578800000000, 0.0030880000000000 ] - [ 0.0000179900000000, 0.0003765700000000, 0.0028715800000000 ] - [ -0.0005469700000000, 0.0001041700000000, -0.0001118100000000 ] - [ -0.0094492700000000, -0.0043404700000000, -0.0057505300000000 ] - [ -0.0034890400000000, -0.0072971100000000, 0.0028846700000000 ] - [ -0.0000408300000000, 0.0003269300000000, 0.0003967000000000 ] - [ -0.0005055500000000, -0.0002034600000000, 0.0008589500000000 ] - [ -0.0005688000000000, 0.0016478700000000, 0.0001949900000000 ] - [ -0.0002093100000000, 0.0005155600000000, -0.0004126700000000 ] - [ -0.0002966700000000, 0.0001790000000000, 0.0005086800000000 ] - [ 0.0005736100000000, -0.0004586000000000, -0.0013961100000000 ] - [ 0.0093282200000000, -0.0042306300000000, -0.0132392800000000 ] - [ -0.0004125900000000, -0.0004537900000000, -0.0006436800000000 ] - [ 0.0002933800000000, -0.0003053700000000, -0.0002722200000000 ] - [ -0.0001392700000000, -0.0002464500000000, 0.0005557300000000 ] - [ 0.0000454800000000, 0.0000232700000000, 0.0010467700000000 ] - [ -0.0004666400000000, 0.0007800900000000, -0.0008371300000000 ] - [ 0.0003318000000000, -0.0008189300000000, -0.0015329900000000 ] - [ 0.0003055000000000, -0.0001340300000000, 0.0010196500000000 ] - [ 0.0012130400000000, -0.0004349200000000, -0.0004521500000000 ] - [ 0.0007005600000000, -0.0005664800000000, 0.0005124400000000 ] - [ -0.0001534200000000, -0.0004091200000000, 0.0006679100000000 ] - [ 0.0003743300000000, -0.0008206500000000, -0.0018777800000000 ] - [ 0.0000424500000000, -0.0001149700000000, 0.0004283900000000 ] - [ 0.0011215100000000, -0.0000208500000000, -0.0006958400000000 ] - [ 0.0002535000000000, -0.0007230600000000, -0.0006083900000000 ] - [ -0.0032878400000000, -0.0011286000000000, 0.0009115700000000 ] - [ 0.0005351600000000, 0.0011545300000000, -0.0005638900000000 ] - [ 0.0006643000000000, 0.0002002500000000, -0.0005076300000000 ] - [ -0.1002273800000000, -0.0477240800000000, -0.1121754300000000 ] - [ 0.0005696100000000, 0.0008044200000000, 0.0011325500000000 ] - [ 0.0006623300000000, -0.0000108200000000, -0.0012433200000000 ] - [ 0.0001661700000000, 0.0010304600000000, 0.0006641200000000 ] - [ 0.0024275800000000, -0.0017463700000000, 0.0007104300000000 ] - [ 0.0001833100000000, 0.0002304200000000, 0.0004754100000000 ] - [ -0.0005574300000000, -0.0004580000000000, 0.0005128700000000 ] - [ -0.0002742900000000, 0.0001355900000000, 0.0001158300000000 ] - [ 0.0002277700000000, -0.0000228700000000, 0.0007322600000000 ] - [ 0.0002913000000000, -0.0004895600000000, -0.0004827200000000 ] - [ 0.0201380900000000, -0.0380671900000000, -0.0583157200000000 ] - [ 0.0000386300000000, -0.0002910100000000, 0.0027305700000000 ] - [ -0.0008695800000000, 0.0000906800000000, -0.0004276300000000 ] - [ 0.0001549800000000, -0.0003779500000000, 0.0005720800000000 ] - [ -0.0018621200000000, 0.0093377200000000, 0.0013388100000000 ] - [ 0.0001303300000000, 0.0000298400000000, 0.0006016600000000 ] - [ -0.0012911900000000, 0.0008020600000000, 0.0007528500000000 ] - [ 0.0002656900000000, 0.0001281200000000, -0.0008010400000000 ] - [ 0.0046201800000000, 0.0061958100000000, 0.0032603000000000 ] - [ 0.0000544900000000, 0.0002613900000000, 0.0012375700000000 ] - [ -0.0802623800000000, 0.0989031400000000, -0.1405763300000000 ] - [ 0.0002277900000000, 0.0004061300000000, 0.0010224100000000 ] - [ 0.0005285300000000, 0.0002889800000000, 0.0003700100000000 ] - [ -0.0005515400000000, -0.0000367200000000, 0.0001064400000000 ] - [ 0.0003837300000000, 0.0005440600000000, 0.0009817800000000 ] - [ 0.0001390400000000, 0.0004563300000000, 0.0034921000000000 ] - [ -0.0012138200000000, 0.0007445400000000, -0.0011784600000000 ] - [ 0.0010663800000000, -0.0001922600000000, 0.0033468700000000 ] - [ 0.0000299400000000, -0.0001935100000000, -0.0002773100000000 ] - [ 0.0004138200000000, 0.0002854500000000, 0.0015851200000000 ] - [ 0.0009102300000000, -0.0002308800000000, -0.0002261800000000 ] - [ -0.0003847400000000, 0.0002345700000000, 0.0000311200000000 ] - [ 0.0002402700000000, 0.0000688400000000, 0.0008450700000000 ] - [ -0.0000263000000000, -0.0000918500000000, -0.0006398700000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000604000000000, 0.0000276700000000, -0.0000902200000000 ] - [ -0.0005353700000000, -0.0001103700000000, 0.0002370700000000 ] - [ 0.0015575200000000, -0.0005949600000000, 0.0003065300000000 ] - [ 0.0002844000000000, -0.0001460900000000, 0.0000958200000000 ] - [ -0.0005374900000000, -0.0015195100000000, 0.0006202100000000 ] - [ -0.0004707000000000, 0.0003571700000000, -0.0003005800000000 ] - [ 0.0002044300000000, 0.0000149400000000, -0.0002208900000000 ] - [ 0.0007498500000000, -0.0000785300000000, -0.0000293100000000 ] - [ -0.0003324000000000, 0.0006730700000000, -0.0011111800000000 ] - [ 0.0030712900000000, -0.0008554800000000, 0.0068395700000000 ] - [ 0.0000786300000000, -0.0003493600000000, -0.0002101300000000 ] - [ 0.0001032500000000, 0.0002475300000000, 0.0002229500000000 ] - [ 0.0087959900000000, 0.0028141100000000, 0.0002709400000000 ] - [ -0.0033311800000000, 0.0020655400000000, 0.0028207400000000 ] - [ 0.0010304800000000, -0.0001882100000000, -0.0003695800000000 ] - [ -0.0000762300000000, -0.0005731200000000, -0.0017661400000000 ] - [ -0.0011299800000000, 0.0002780700000000, -0.0001878000000000 ] - [ -0.0005446600000000, 0.0001869200000000, 0.0000152300000000 ] - [ 0.0000309100000000, 0.0003532700000000, 0.0002001600000000 ] - [ -0.0007651500000000, -0.0007238600000000, -0.0004629400000000 ] - [ 0.0003922000000000, 0.0004674400000000, -0.0000978500000000 ] - [ -0.0038186500000000, 0.0059707400000000, -0.0004011800000000 ] - [ -0.0007083300000000, -0.0000325900000000, 0.0002959700000000 ] - [ 0.0017747200000000, -0.0001131500000000, 0.0004837000000000 ] - [ 0.0033666700000000, 0.0000120600000000, -0.0003558400000000 ] - [ 0.0001283800000000, -0.0002612600000000, 0.0002112900000000 ] - [ -0.0019237700000000, 0.0011974300000000, -0.0025117100000000 ] - [ 0.0002608800000000, 0.0000631500000000, -0.0000683000000000 ] - [ 0.0009180300000000, -0.0001241900000000, -0.0001813800000000 ] - [ 0.0002719300000000, -0.0000900000000000, -0.0001151400000000 ] - [ -0.0004532500000000, -0.0001582000000000, 0.0000110700000000 ] - [ 0.0002640300000000, -0.0000170700000000, -0.0001959900000000 ] - [ -0.0033059000000000, 0.0011610100000000, 0.0011572600000000 ] - [ 0.0042946200000000, 0.0021820500000000, 0.0016787100000000 ] - [ 0.0011127200000000, -0.0004570600000000, -0.0003301600000000 ] - [ 0.0006592000000000, 0.0000472700000000, 0.0000415400000000 ] - [ 0.0003955500000000, -0.0000196600000000, 0.0001080700000000 ] - [ 0.0070781100000000, -0.0074365100000000, -0.0062944100000000 ] - [ -0.0024633600000000, -0.0033849200000000, 0.0049565000000000 ] - [ 0.0000955100000000, 0.0001769600000000, 0.0000144900000000 ] - [ -0.0000211300000000, -0.0003667500000000, -0.0011430000000000 ] - [ 0.0004598800000000, -0.0000137700000000, 0.0002251700000000 ] - [ -0.0005943100000000, 0.0005779300000000, 0.0003335300000000 ] - [ 0.0018576300000000, 0.0006501800000000, 0.0019448000000000 ] - [ -0.0000438000000000, -0.0005418700000000, 0.0014371400000000 ] - [ -0.4579899400000000, -0.0219514800000000, -0.0525930600000000 ] - [ 0.0003707300000000, 0.0011293300000000, -0.0011558200000000 ] - [ 0.0017192200000000, 0.0005180500000000, -0.0009766200000000 ] - [ 0.0015766600000000, -0.0006301500000000, -0.0013651200000000 ] - [ 0.0020813900000000, 0.0002420100000000, -0.0001334300000000 ] - [ -0.0009851100000000, 0.0001177600000000, 0.0006623900000000 ] - [ 0.0030221600000000, -0.0003501100000000, -0.0023742700000000 ] - [ 0.0042476200000000, 0.0048275900000000, -0.0019994200000000 ] - [ 0.0038569900000000, -0.0003503200000000, -0.0005499300000000 ] - [ -0.0003364800000000, -0.0022379700000000, -0.0003247200000000 ] - [ 0.0011082000000000, -0.0001878100000000, 0.0001328200000000 ] - [ 0.0003806800000000, -0.0005318200000000, -0.0001148700000000 ] - [ 0.0016539300000000, 0.0024623900000000, 0.0002989300000000 ] - [ -0.0016061800000000, 0.0002738800000000, 0.0004983200000000 ] - [ 0.0152564800000000, 0.0023931400000000, -0.0294627900000000 ] - [ -0.0016322400000000, -0.0003030800000000, 0.0004926400000000 ] - [ -0.0004346000000000, -0.0003941200000000, 0.0000146500000000 ] - [ -0.0001116700000000, -0.0001593200000000, -0.0000877700000000 ] - [ 0.0224841700000000, -0.0233264600000000, -0.0158283700000000 ] - [ -0.0017762900000000, -0.0013309300000000, -0.0000865900000000 ] - [ -0.0003531800000000, 0.0002298100000000, -0.0000437600000000 ] - [ -0.0004107900000000, -0.0000536200000000, 0.0001866600000000 ] - [ -0.0019265000000000, -0.0014139400000000, -0.0006100400000000 ] - [ -0.0018052200000000, -0.0007434100000000, 0.0015903200000000 ] - [ -0.0004594900000000, -0.0003371700000000, 0.0000854000000000 ] - [ 0.0000236800000000, 0.0000010100000000, 0.0005490700000000 ] - [ 0.0002476500000000, 0.0000977700000000, -0.0002484400000000 ] - [ -0.0008732800000000, 0.0000844900000000, -0.0002018600000000 ] - [ -0.0006835700000000, 0.0001203400000000, 0.0000557300000000 ] - [ -0.0072289900000000, 0.0019473400000000, 0.0075585700000000 ] - [ 0.0011280900000000, 0.0004997400000000, -0.0007302400000000 ] - [ 0.0000423400000000, 0.0003164500000000, -0.0007052400000000 ] - [ 0.0787365400000000, -0.0608364600000000, 0.0021640900000000 ] - [ 0.0010332500000000, -0.0003184600000000, -0.0006574900000000 ] - [ -0.0016014900000000, -0.0001358300000000, 0.0000345900000000 ] - [ -0.0003717600000000, 0.0002442900000000, -0.0000253900000000 ] - [ 0.0003785800000000, 0.0000973400000000, 0.0005507200000000 ] - [ -0.0064549600000000, 0.0043587100000000, -0.0005583500000000 ] - [ -0.0015743400000000, -0.0010277200000000, -0.0011855300000000 ] - [ 0.0008408200000000, 0.0000066000000000, -0.0000805900000000 ] - [ -0.0029291100000000, 0.0003120100000000, 0.0004405300000000 ] - [ 0.0008948900000000, -0.0006746300000000, -0.0001865800000000 ] - [ -0.0011744200000000, -0.0004279800000000, -0.0006999100000000 ] - [ -0.0008857700000000, 0.0001206800000000, 0.0002837900000000 ] - [ 0.0006632900000000, -0.0003762600000000, -0.0000317400000000 ] - [ 0.0000085700000000, 0.0005279400000000, -0.0002245400000000 ] - [ -0.0028071700000000, -0.0003558400000000, -0.0002208300000000 ] - [ -0.0020182900000000, -0.0001709100000000, -0.0014780800000000 ] - [ -0.0001251300000000, 0.0006226100000000, 0.0004005200000000 ] - [ -0.0009380100000000, 0.0001491200000000, 0.0010650500000000 ] - [ 0.0004778700000000, 0.0002104700000000, 0.0002345700000000 ] - [ 0.0447726100000000, 0.0017300900000000, 0.0031134200000000 ] - [ -0.0002442500000000, 0.0002485300000000, 0.0008138200000000 ] - [ 0.0000157300000000, -0.0005532100000000, -0.0007002200000000 ] - [ -0.0057234700000000, -0.0048441900000000, 0.0031185000000000 ] - [ 0.0008746300000000, 0.0008653600000000, 0.0014674300000000 ] - [ 0.0617422300000000, 0.0333194600000000, -0.0342388800000000 ] - [ 0.0009888900000000, -0.0000493100000000, -0.0002085100000000 ] - [ 0.0017195400000000, 0.0079356900000000, 0.0085731700000000 ] - [ -0.0000189400000000, 0.0000513800000000, 0.0003640000000000 ] - [ 0.0009303900000000, -0.0001769000000000, 0.0002526800000000 ] - [ -0.0014437800000000, 0.0002921000000000, 0.0005155700000000 ] - [ -0.0016151700000000, -0.0022377900000000, 0.0025735100000000 ] - [ 0.0000488200000000, -0.0001261900000000, -0.0001797200000000 ] - [ -0.0002064300000000, -0.0016767600000000, 0.0008904900000000 ] - [ 0.0011622600000000, -0.0008193200000000, -0.0000776900000000 ] - [ 0.0001765100000000, -0.0008052500000000, -0.0001411400000000 ] - [ -0.0002680400000000, 0.0003792100000000, -0.0002317600000000 ] - [ -0.0003601700000000, -0.0000082500000000, -0.0011522100000000 ] - [ 0.0005949600000000, 0.0001468200000000, -0.0007936500000000 ] - [ -0.0013560600000000, -0.0002845600000000, 0.0008088800000000 ] - [ -0.0002284700000000, 0.0001652700000000, -0.0002312800000000 ] - [ 0.0032889300000000, 0.0026424400000000, 0.0091305700000000 ] - [ -0.0003669000000000, 0.0002350400000000, -0.0003975300000000 ] - [ 0.0004697200000000, 0.0025521900000000, -0.0000837300000000 ] - [ 0.2391883300000000, 0.0540034400000000, 0.0954507000000000 ] - [ 0.0008352900000000, 0.0002782400000000, -0.0000953300000000 ] - [ -0.0007219900000000, 0.0000116500000000, 0.0002751300000000 ] - [ -0.0005255400000000, -0.0001098100000000, 0.0008050700000000 ] - [ 0.0008443100000000, 0.0007391800000000, -0.0012309000000000 ] - [ -0.0005192600000000, 0.0001199200000000, 0.0006223400000000 ] - [ -0.0025949400000000, 0.0006500900000000, 0.0012643900000000 ] - [ -0.0011562600000000, -0.0000181800000000, -0.0001843600000000 ] - [ 0.0011498000000000, 0.0005852600000000, 0.0001103800000000 ] - [ -0.0007875000000000, 0.0011651100000000, -0.0004524500000000 ] - [ -0.0015952000000000, -0.0008793900000000, -0.0004451000000000 ] - [ 0.0000688500000000, -0.0001804200000000, 0.0002517200000000 ]- atom: 46 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000737900000000, 0.0000202800000000, 0.0002045600000000 ] - [ 0.0003863500000000, 0.0002025100000000, -0.0000737800000000 ] - [ -0.0015924500000000, 0.0008094300000000, -0.0002926600000000 ] - [ -0.0004785100000000, 0.0003633300000000, -0.0001262300000000 ] - [ 0.0003472100000000, 0.0012993000000000, -0.0005904600000000 ] - [ 0.0005025800000000, -0.0001439600000000, 0.0002903200000000 ] - [ -0.0004807000000000, -0.0001792000000000, -0.0000852300000000 ] - [ -0.0006012300000000, -0.0000137900000000, -0.0001353700000000 ] - [ 0.0001408200000000, -0.0004559400000000, 0.0011356900000000 ] - [ -0.0031048300000000, 0.0008418000000000, -0.0070036400000000 ] - [ -0.0000656600000000, 0.0002985100000000, 0.0000943100000000 ] - [ -0.0000881000000000, -0.0002966400000000, -0.0001058200000000 ] - [ -0.0087790600000000, -0.0028481000000000, -0.0001334200000000 ] - [ 0.0034785900000000, -0.0021625800000000, -0.0026628400000000 ] - [ -0.0007549300000000, 0.0000245700000000, 0.0000631100000000 ] - [ 0.0000677600000000, 0.0006218900000000, 0.0016516900000000 ] - [ 0.0009808200000000, -0.0003679300000000, 0.0003488000000000 ] - [ 0.0005072800000000, 0.0000174100000000, -0.0000388900000000 ] - [ 0.0001610400000000, -0.0001382300000000, -0.0001749500000000 ] - [ 0.0007332000000000, 0.0005084100000000, 0.0004522100000000 ] - [ -0.0005863800000000, -0.0006844300000000, 0.0000727900000000 ] - [ 0.0040710500000000, -0.0058146200000000, 0.0007134400000000 ] - [ 0.0009851400000000, -0.0001298500000000, 0.0000046700000000 ] - [ -0.0014987100000000, 0.0002790400000000, -0.0007879100000000 ] - [ -0.0032256700000000, 0.0000836600000000, 0.0001959000000000 ] - [ -0.0001161300000000, 0.0003100700000000, -0.0003273500000000 ] - [ 0.0020637800000000, -0.0010912000000000, 0.0026645100000000 ] - [ -0.0002943000000000, -0.0002758800000000, 0.0000774900000000 ] - [ -0.0011928000000000, 0.0002845200000000, -0.0001241200000000 ] - [ -0.0004202700000000, -0.0000040400000000, -0.0000487600000000 ] - [ 0.0001770500000000, -0.0000064500000000, 0.0002932600000000 ] - [ -0.0000705800000000, 0.0002336700000000, 0.0001674000000000 ] - [ 0.0030314600000000, -0.0009791300000000, -0.0008386300000000 ] - [ -0.0041400900000000, -0.0024242000000000, -0.0017083200000000 ] - [ -0.0010794200000000, 0.0006705300000000, 0.0003415100000000 ] - [ -0.0008072600000000, 0.0000451900000000, -0.0002030700000000 ] - [ -0.0003618600000000, -0.0001938800000000, -0.0001005900000000 ] - [ -0.0067796500000000, 0.0071275700000000, 0.0062631600000000 ] - [ 0.0024903800000000, 0.0031724400000000, -0.0049501100000000 ] - [ -0.0001096600000000, -0.0001283300000000, 0.0000977900000000 ] - [ -0.0000746200000000, 0.0007981900000000, 0.0017622200000000 ] - [ -0.0005612400000000, -0.0004728200000000, -0.0006248400000000 ] - [ 0.0006965700000000, -0.0000927300000000, 0.0000588100000000 ] - [ -0.0017725100000000, -0.0001655400000000, -0.0023509300000000 ] - [ 0.0001447500000000, 0.0009788400000000, -0.0008049700000000 ] - [ 0.4478447800000000, 0.0150896100000000, 0.0427125300000000 ] - [ -0.0004702000000000, -0.0006467100000000, 0.0007562400000000 ] - [ -0.0014088500000000, -0.0005819600000000, 0.0006950900000000 ] - [ -0.0014755700000000, 0.0001980700000000, 0.0007208100000000 ] - [ -0.0023955400000000, -0.0003066000000000, -0.0001496800000000 ] - [ 0.0008852200000000, -0.0005582900000000, -0.0000262200000000 ] - [ -0.0029115300000000, -0.0001329800000000, 0.0019693600000000 ] - [ -0.0043387000000000, -0.0043890700000000, 0.0013715100000000 ] - [ -0.0041701400000000, 0.0004180200000000, 0.0002705900000000 ] - [ 0.0002288100000000, 0.0017475200000000, 0.0007283800000000 ] - [ -0.0007976100000000, 0.0002495100000000, -0.0004114300000000 ] - [ -0.0004785500000000, 0.0000970800000000, -0.0005208700000000 ] - [ -0.0015668000000000, -0.0020364400000000, -0.0009288700000000 ] - [ 0.0019135600000000, -0.0002142700000000, -0.0002144100000000 ] - [ -0.0151017000000000, -0.0029241900000000, 0.0303070900000000 ] - [ 0.0013243400000000, 0.0002417800000000, -0.0002207100000000 ] - [ 0.0007428300000000, 0.0003315500000000, 0.0002573500000000 ] - [ 0.0000105800000000, 0.0006396200000000, 0.0004823400000000 ] - [ -0.0223988300000000, 0.0231058300000000, 0.0162604700000000 ] - [ 0.0019801500000000, 0.0011646600000000, -0.0002335600000000 ] - [ 0.0000569400000000, 0.0000469600000000, -0.0001722100000000 ] - [ 0.0005254800000000, 0.0001404300000000, 0.0004478700000000 ] - [ 0.0017242400000000, 0.0012452200000000, 0.0002944500000000 ] - [ 0.0018426500000000, 0.0006948700000000, -0.0015052800000000 ] - [ 0.0003016000000000, -0.0001965100000000, -0.0003509900000000 ] - [ -0.0003203800000000, 0.0002744500000000, -0.0003294800000000 ] - [ -0.0001312300000000, -0.0001832600000000, -0.0003856400000000 ] - [ 0.0005652600000000, -0.0001274800000000, 0.0000200100000000 ] - [ 0.0007914500000000, -0.0003386400000000, 0.0004304600000000 ] - [ 0.0070339500000000, -0.0021817900000000, -0.0076040000000000 ] - [ -0.0010203300000000, -0.0002839200000000, 0.0002497700000000 ] - [ -0.0002231600000000, -0.0000962200000000, 0.0006952000000000 ] - [ -0.0806664700000000, 0.0644045200000000, -0.0029776800000000 ] - [ -0.0011441700000000, 0.0005403900000000, 0.0001777500000000 ] - [ 0.0015587100000000, 0.0001811600000000, 0.0000529300000000 ] - [ 0.0004116500000000, -0.0001961300000000, 0.0001092300000000 ] - [ -0.0003355700000000, -0.0001445400000000, -0.0006270200000000 ] - [ 0.0067112400000000, -0.0046514900000000, 0.0003442400000000 ] - [ 0.0014055400000000, 0.0012542400000000, 0.0012013500000000 ] - [ -0.0006320600000000, 0.0001630300000000, 0.0003885500000000 ] - [ 0.0028243700000000, -0.0005355800000000, 0.0000467100000000 ] - [ -0.0007856000000000, 0.0004568500000000, -0.0003063100000000 ] - [ 0.0011376300000000, 0.0003845300000000, 0.0007858500000000 ] - [ 0.0006773600000000, 0.0000468000000000, -0.0005875400000000 ] - [ -0.0006221800000000, 0.0004274000000000, -0.0000530700000000 ] - [ 0.0001733000000000, -0.0007448100000000, 0.0002087000000000 ] - [ 0.0031202500000000, 0.0003097600000000, 0.0000417200000000 ] - [ 0.0021833500000000, -0.0003673400000000, 0.0012096000000000 ] - [ 0.0003044400000000, -0.0003965300000000, -0.0004091400000000 ] - [ 0.0007568900000000, -0.0003744800000000, -0.0010471900000000 ] - [ -0.0007853100000000, -0.0001658900000000, -0.0000495800000000 ] - [ -0.0448317500000000, -0.0011523300000000, -0.0020187000000000 ] - [ 0.0002439000000000, -0.0002470600000000, -0.0008075400000000 ] - [ -0.0003144900000000, 0.0002816900000000, 0.0009182800000000 ] - [ 0.0056757400000000, 0.0048448400000000, -0.0031133300000000 ] - [ -0.0006661400000000, -0.0010257300000000, -0.0011448600000000 ] - [ -0.0624756100000000, -0.0347701600000000, 0.0357167500000000 ] - [ -0.0012959300000000, 0.0000044200000000, 0.0003888500000000 ] - [ -0.0015769700000000, -0.0074029400000000, -0.0082879100000000 ] - [ 0.0003143700000000, 0.0002240100000000, -0.0005794800000000 ] - [ -0.0006221400000000, 0.0002209300000000, -0.0000672900000000 ] - [ 0.0017531700000000, -0.0002486400000000, -0.0006978800000000 ] - [ 0.0019019700000000, 0.0019521900000000, -0.0023497600000000 ] - [ 0.0001306900000000, -0.0000941800000000, 0.0001940000000000 ] - [ 0.0003841100000000, 0.0018988000000000, -0.0008779900000000 ] - [ -0.0010064200000000, 0.0002844000000000, 0.0003482600000000 ] - [ -0.0001754300000000, 0.0008091900000000, 0.0001404700000000 ] - [ 0.0002673500000000, -0.0003789500000000, 0.0002321300000000 ] - [ 0.0006637100000000, 0.0002832700000000, 0.0013751200000000 ] - [ -0.0006379200000000, -0.0001953600000000, 0.0007137800000000 ] - [ 0.0015096000000000, 0.0008158500000000, -0.0010701000000000 ] - [ 0.0004352800000000, 0.0000028900000000, -0.0000774300000000 ] - [ -0.0035101700000000, -0.0024622400000000, -0.0088025500000000 ] - [ 0.0002088000000000, 0.0003020500000000, 0.0001332600000000 ] - [ -0.0006220100000000, -0.0020151900000000, 0.0003432300000000 ] - [ -0.2265363100000000, -0.0499985400000000, -0.0882672200000000 ] - [ -0.0009533600000000, -0.0003655300000000, -0.0005365500000000 ] - [ 0.0006147400000000, 0.0002089400000000, 0.0002175400000000 ] - [ 0.0006392900000000, 0.0000249400000000, -0.0001684400000000 ] - [ -0.0010538000000000, -0.0009095700000000, 0.0015381200000000 ] - [ 0.0006272200000000, 0.0001003600000000, -0.0001308200000000 ] - [ 0.0024801900000000, -0.0005675100000000, -0.0006312700000000 ] - [ 0.0008489800000000, 0.0000625000000000, 0.0000024300000000 ] - [ -0.0010300400000000, -0.0004963500000000, -0.0007476700000000 ] - [ 0.0004924900000000, -0.0014321100000000, 0.0002268600000000 ] - [ 0.0014841000000000, 0.0007950400000000, 0.0010849100000000 ] - [ -0.0002263000000000, -0.0003543700000000, 0.0000167300000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001943700000000, 0.0003431800000000, 0.0001496000000000 ] - [ -0.0001809900000000, 0.0011101700000000, 0.0002963500000000 ] - [ 0.0001812800000000, -0.0004464800000000, -0.0000592200000000 ] - [ -0.0001892100000000, -0.0001144700000000, 0.0000707300000000 ] - [ -0.0004278000000000, 0.0022975000000000, -0.0008342700000000 ] - [ 0.0002582600000000, 0.0004750700000000, -0.0007488400000000 ] - [ -0.0001467800000000, 0.0003178000000000, -0.0000904000000000 ] - [ -0.0000168100000000, -0.0002156500000000, -0.0002741700000000 ] - [ 0.0001168900000000, 0.0001672000000000, -0.0007514600000000 ] - [ -0.0018796600000000, -0.0029501200000000, -0.0050309700000000 ] - [ -0.0002372700000000, 0.0006256200000000, -0.0000119500000000 ] - [ 0.0003525100000000, 0.0011995700000000, -0.0000772000000000 ] - [ 0.0020768800000000, -0.0002478700000000, 0.0000766300000000 ] - [ 0.0012370300000000, -0.0002772800000000, 0.0034269100000000 ] - [ 0.0003353900000000, -0.0006528800000000, -0.0000861400000000 ] - [ 0.0000063600000000, -0.0009058100000000, 0.0012268400000000 ] - [ -0.0002020800000000, 0.0012221400000000, -0.0006205500000000 ] - [ 0.0007922800000000, 0.0012240600000000, 0.0029588000000000 ] - [ 0.0001977700000000, 0.0003761400000000, 0.0002247800000000 ] - [ 0.0002239800000000, 0.0015758400000000, 0.0008146000000000 ] - [ 0.0002652900000000, 0.0006310500000000, -0.0001149800000000 ] - [ 0.0062228800000000, 0.0115529300000000, -0.0019560600000000 ] - [ -0.0001374500000000, -0.0006317300000000, 0.0002278500000000 ] - [ -0.0009445600000000, 0.0003928900000000, -0.0010012900000000 ] - [ -0.0005995300000000, -0.0008559500000000, 0.0003277200000000 ] - [ -0.0001238400000000, 0.0002950200000000, -0.0002128600000000 ] - [ 0.0005874000000000, -0.0022522000000000, -0.0022257200000000 ] - [ -0.0000394000000000, 0.0002052900000000, -0.0001020700000000 ] - [ -0.0000994100000000, 0.0002092000000000, -0.0000312200000000 ] - [ -0.0000576800000000, 0.0001443300000000, -0.0000669900000000 ] - [ -0.0000822200000000, 0.0004901100000000, 0.0002566400000000 ] - [ 0.0000313400000000, 0.0003740900000000, 0.0001029700000000 ] - [ -0.0001684100000000, 0.0130822500000000, 0.0017587400000000 ] - [ 0.0037535800000000, -0.0014954100000000, 0.0008102300000000 ] - [ -0.0007676700000000, 0.0010607700000000, 0.0005737300000000 ] - [ -0.0000608200000000, 0.0005759900000000, -0.0000618000000000 ] - [ 0.0001845800000000, -0.0005566200000000, 0.0000136700000000 ] - [ -0.0064693000000000, 0.0005514600000000, 0.0012470200000000 ] - [ -0.0032096200000000, -0.0012739500000000, -0.0025321600000000 ] - [ -0.0000909400000000, -0.0001608300000000, 0.0001092900000000 ] - [ -0.0015518400000000, 0.0002364500000000, 0.0018369900000000 ] - [ 0.0018736800000000, 0.0018976100000000, 0.0009699200000000 ] - [ 0.0006254400000000, -0.0015635700000000, -0.0000089500000000 ] - [ 0.0001310300000000, -0.0005217900000000, 0.0006676100000000 ] - [ -0.0010200400000000, 0.0007499200000000, -0.0015845300000000 ] - [ -0.0146994900000000, -0.3667828200000000, -0.0816478600000000 ] - [ 0.0003443900000000, 0.0022418400000000, -0.0006300300000000 ] - [ 0.0007055100000000, 0.0006462200000000, -0.0008673800000000 ] - [ -0.0006930500000000, -0.0015224000000000, -0.0003685900000000 ] - [ -0.0004290400000000, -0.0000683800000000, 0.0004344100000000 ] - [ 0.0007756300000000, 0.0018778900000000, 0.0009225400000000 ] - [ 0.0008860500000000, -0.0021047700000000, -0.0018478700000000 ] - [ 0.0033870600000000, 0.0041043200000000, -0.0016716600000000 ] - [ -0.0005375200000000, -0.0017523800000000, -0.0000709000000000 ] - [ -0.0014029300000000, 0.0020941400000000, 0.0005154000000000 ] - [ 0.0003733000000000, 0.0016750900000000, -0.0005450700000000 ] - [ -0.0000746800000000, 0.0014752200000000, -0.0004766900000000 ] - [ -0.0000248100000000, 0.0008351900000000, 0.0004643900000000 ] - [ -0.0000879900000000, 0.0041531500000000, 0.0006061100000000 ] - [ 0.0217379300000000, -0.0212472800000000, -0.0194919600000000 ] - [ 0.0001187000000000, -0.0009676400000000, 0.0005922000000000 ] - [ -0.0002090600000000, 0.0005601000000000, 0.0003329700000000 ] - [ -0.0001792400000000, 0.0012392100000000, 0.0002627900000000 ] - [ -0.0345132900000000, 0.0163045400000000, 0.0301458800000000 ] - [ -0.0011851000000000, -0.0011100800000000, -0.0001167200000000 ] - [ 0.0000296600000000, -0.0003285900000000, -0.0002084200000000 ] - [ -0.0009697100000000, -0.0013025300000000, 0.0004757400000000 ] - [ 0.0000853100000000, -0.0004548600000000, -0.0005585200000000 ] - [ -0.0014576800000000, -0.0005684400000000, 0.0014302000000000 ] - [ -0.0003129200000000, -0.0015810500000000, -0.0003878800000000 ] - [ 0.0000082500000000, -0.0007868100000000, 0.0001360700000000 ] - [ 0.0003752800000000, -0.0006817900000000, -0.0002562600000000 ] - [ -0.0000560700000000, -0.0006785900000000, 0.0000866100000000 ] - [ 0.0001791000000000, -0.0012451600000000, 0.0006062200000000 ] - [ 0.0001088900000000, 0.0178798700000000, -0.0099934600000000 ] - [ 0.0003893300000000, 0.0000487800000000, -0.0000855600000000 ] - [ -0.0000184500000000, 0.0008035300000000, 0.0010560400000000 ] - [ -0.0629566500000000, 0.1186888700000000, -0.0081405400000000 ] - [ -0.0002139200000000, 0.0000128700000000, -0.0011377200000000 ] - [ 0.0006207100000000, 0.0008240500000000, 0.0002269500000000 ] - [ 0.0001253600000000, -0.0008579600000000, 0.0002710900000000 ] - [ 0.0002680300000000, -0.0000781800000000, -0.0005854500000000 ] - [ 0.0112941300000000, -0.0056719800000000, -0.0014897500000000 ] - [ -0.0005220300000000, 0.0003362700000000, -0.0005892500000000 ] - [ -0.0001327200000000, -0.0008562000000000, -0.0001657600000000 ] - [ -0.0004565500000000, 0.0011480800000000, 0.0002149100000000 ] - [ -0.0000138700000000, -0.0027131900000000, -0.0002136400000000 ] - [ -0.0000585200000000, -0.0001931700000000, -0.0004505200000000 ] - [ 0.0000493700000000, 0.0005658200000000, -0.0002168800000000 ] - [ -0.0002120600000000, -0.0024121900000000, -0.0005016800000000 ] - [ 0.0000431000000000, -0.0019654700000000, 0.0004120200000000 ] - [ 0.0008888000000000, 0.0013372300000000, -0.0000472200000000 ] - [ -0.0000130300000000, 0.0004048200000000, -0.0006382200000000 ] - [ 0.0005394000000000, -0.0005753600000000, -0.0005485500000000 ] - [ 0.0002713200000000, 0.0013019100000000, 0.0006032100000000 ] - [ -0.0000170400000000, -0.0005378400000000, -0.0003469500000000 ] - [ 0.0002267600000000, 0.0906564100000000, 0.0967429100000000 ] - [ 0.0009984400000000, 0.0008007400000000, -0.0002994500000000 ] - [ -0.0023042600000000, -0.0020655000000000, -0.0014236400000000 ] - [ -0.0079572700000000, -0.0028083200000000, 0.0047699100000000 ] - [ 0.0013834900000000, -0.0009908300000000, -0.0011768800000000 ] - [ 0.0308260100000000, 0.0773438600000000, -0.0361297000000000 ] - [ 0.0000247500000000, -0.0027452200000000, 0.0001696400000000 ] - [ 0.0035031500000000, -0.0070785100000000, -0.0101321900000000 ] - [ -0.0000785200000000, 0.0009066800000000, -0.0001202600000000 ] - [ -0.0000432700000000, 0.0005782000000000, -0.0002977800000000 ] - [ 0.0004683900000000, 0.0001234200000000, -0.0006698900000000 ] - [ -0.0017709200000000, 0.0004770500000000, 0.0021741800000000 ] - [ -0.0002559900000000, -0.0016685200000000, -0.0005529400000000 ] - [ -0.0003928000000000, -0.0018265800000000, 0.0008709800000000 ] - [ -0.0009684500000000, 0.0013651600000000, -0.0003147200000000 ] - [ 0.0001614300000000, -0.0008730900000000, -0.0002383400000000 ] - [ 0.0007727100000000, -0.0010236000000000, 0.0003674100000000 ] - [ 0.0003698000000000, 0.0009276100000000, -0.0003626400000000 ] - [ -0.0001422900000000, -0.0001334900000000, 0.0006953400000000 ] - [ -0.0002087600000000, 0.0004537200000000, 0.0006037200000000 ] - [ 0.0001155000000000, -0.0004992500000000, -0.0000813400000000 ] - [ -0.0015528700000000, 0.0062245700000000, 0.0088049100000000 ] - [ -0.0008287300000000, -0.0000427900000000, -0.0006801100000000 ] - [ 0.0017901000000000, -0.0012498600000000, 0.0007489300000000 ] - [ 0.0530616000000000, 0.0570504700000000, 0.0276189400000000 ] - [ -0.0000556300000000, 0.0008180400000000, -0.0005550200000000 ] - [ 0.0000404300000000, -0.0000868800000000, -0.0000225200000000 ] - [ -0.0000186200000000, -0.0006633400000000, 0.0004483800000000 ] - [ 0.0001210300000000, -0.0007511800000000, 0.0027933700000000 ] - [ -0.0001154300000000, 0.0001705600000000, 0.0005071000000000 ] - [ -0.0004911800000000, 0.0011356400000000, 0.0006813100000000 ] - [ -0.0004049300000000, -0.0002118000000000, 0.0000052700000000 ] - [ 0.0002632900000000, -0.0025393200000000, -0.0002733500000000 ] - [ 0.0004721100000000, -0.0007734600000000, -0.0000834100000000 ] - [ -0.0000194400000000, 0.0002074400000000, 0.0000282300000000 ] - [ -0.0000916600000000, -0.0009829900000000, 0.0002209900000000 ]- atom: 46 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001811100000000, -0.0002935400000000, -0.0000344500000000 ] - [ 0.0000330200000000, -0.0010163500000000, -0.0001394100000000 ] - [ -0.0002143800000000, 0.0006624800000000, 0.0000693500000000 ] - [ -0.0000038400000000, 0.0003326100000000, -0.0000979800000000 ] - [ 0.0002278400000000, -0.0025176000000000, 0.0008591300000000 ] - [ -0.0002243900000000, -0.0002646500000000, 0.0007333400000000 ] - [ -0.0001291200000000, -0.0004815500000000, -0.0002145000000000 ] - [ 0.0001655100000000, 0.0001207600000000, 0.0001121500000000 ] - [ -0.0003100500000000, 0.0000512300000000, 0.0007765400000000 ] - [ 0.0018713600000000, 0.0028893500000000, 0.0049268200000000 ] - [ 0.0002538100000000, -0.0006734100000000, -0.0001071700000000 ] - [ -0.0003454900000000, -0.0012483000000000, 0.0001957100000000 ] - [ -0.0020766600000000, 0.0001957300000000, 0.0000391700000000 ] - [ -0.0010852800000000, 0.0001761900000000, -0.0032468800000000 ] - [ -0.0000585200000000, 0.0004883000000000, -0.0002193200000000 ] - [ -0.0000202200000000, 0.0009516600000000, -0.0013383200000000 ] - [ 0.0000517900000000, -0.0013130600000000, 0.0007896500000000 ] - [ -0.0008283000000000, -0.0010019800000000, -0.0029804500000000 ] - [ -0.0000044100000000, -0.0001605500000000, -0.0001962500000000 ] - [ -0.0002583000000000, -0.0017867200000000, -0.0008192300000000 ] - [ -0.0004530700000000, -0.0008481300000000, 0.0000873900000000 ] - [ -0.0058894600000000, -0.0112352700000000, 0.0022284500000000 ] - [ 0.0004133100000000, 0.0004677900000000, 0.0000780600000000 ] - [ 0.0012235800000000, -0.0002322200000000, 0.0006972300000000 ] - [ 0.0007468700000000, 0.0009490700000000, -0.0004921500000000 ] - [ 0.0001381900000000, -0.0002448700000000, 0.0000993000000000 ] - [ -0.0004368800000000, 0.0023372400000000, 0.0023792000000000 ] - [ 0.0000064800000000, -0.0004193600000000, 0.0001116300000000 ] - [ -0.0001767900000000, -0.0000426700000000, -0.0002737900000000 ] - [ -0.0000903100000000, -0.0002372600000000, -0.0000965900000000 ] - [ -0.0001944600000000, -0.0006538200000000, 0.0000491000000000 ] - [ 0.0001608500000000, -0.0001580700000000, -0.0001298900000000 ] - [ -0.0001227000000000, -0.0131020000000000, -0.0014699100000000 ] - [ -0.0035643700000000, 0.0012904700000000, -0.0008368500000000 ] - [ 0.0007988300000000, -0.0008488800000000, -0.0005641500000000 ] - [ -0.0000854800000000, -0.0004814900000000, -0.0001002100000000 ] - [ -0.0001505100000000, 0.0003453900000000, -0.0000031800000000 ] - [ 0.0066997000000000, -0.0007532100000000, -0.0012400600000000 ] - [ 0.0032430400000000, 0.0010706900000000, 0.0025339700000000 ] - [ 0.0000770900000000, 0.0002082500000000, 0.0000073400000000 ] - [ 0.0014557400000000, 0.0002073300000000, -0.0012056700000000 ] - [ -0.0019859900000000, -0.0023822300000000, -0.0013769600000000 ] - [ -0.0005222000000000, 0.0020370700000000, 0.0004134800000000 ] - [ -0.0000328800000000, 0.0009969500000000, -0.0010670200000000 ] - [ 0.0011149400000000, -0.0003226600000000, 0.0022162500000000 ] - [ 0.0222090000000000, 0.3632466800000000, 0.0825963600000000 ] - [ -0.0004465700000000, -0.0017558300000000, 0.0002306400000000 ] - [ -0.0003940900000000, -0.0007043200000000, 0.0005855000000000 ] - [ 0.0007900500000000, 0.0010907400000000, -0.0002653500000000 ] - [ 0.0001197800000000, 0.0000031500000000, -0.0007131100000000 ] - [ -0.0008642600000000, -0.0023128600000000, -0.0002716000000000 ] - [ -0.0007794500000000, 0.0016108400000000, 0.0014430000000000 ] - [ -0.0034765900000000, -0.0036470500000000, 0.0010373100000000 ] - [ 0.0002312600000000, 0.0018151100000000, -0.0002093700000000 ] - [ 0.0013223800000000, -0.0025732300000000, -0.0001169700000000 ] - [ -0.0000639800000000, -0.0016146600000000, 0.0002660500000000 ] - [ -0.0000264400000000, -0.0019123200000000, -0.0001616900000000 ] - [ 0.0001292000000000, -0.0004083600000000, -0.0010976400000000 ] - [ 0.0004004500000000, -0.0040916000000000, -0.0003258200000000 ] - [ -0.0215888200000000, 0.0207559900000000, 0.0200906400000000 ] - [ -0.0004268600000000, 0.0008988600000000, -0.0003104700000000 ] - [ 0.0005168500000000, -0.0006184800000000, -0.0000551100000000 ] - [ 0.0000803800000000, -0.0007546900000000, 0.0001336100000000 ] - [ 0.0343896700000000, -0.0166416800000000, -0.0297884400000000 ] - [ 0.0013902600000000, 0.0009362400000000, -0.0001962500000000 ] - [ -0.0003271500000000, 0.0006040100000000, -0.0000090400000000 ] - [ 0.0010895600000000, 0.0013874400000000, 0.0001575500000000 ] - [ -0.0002952100000000, 0.0002920200000000, 0.0002491600000000 ] - [ 0.0014909600000000, 0.0005180600000000, -0.0013414300000000 ] - [ 0.0001574900000000, 0.0010475000000000, 0.0001215300000000 ] - [ -0.0003028000000000, 0.0010602800000000, 0.0000810600000000 ] - [ -0.0002578600000000, 0.0005958600000000, -0.0003779100000000 ] - [ -0.0002506300000000, 0.0006335900000000, -0.0002679000000000 ] - [ -0.0000706600000000, 0.0010276400000000, -0.0001203400000000 ] - [ -0.0002655300000000, -0.0180873600000000, 0.0099465600000000 ] - [ -0.0002808600000000, 0.0001655800000000, -0.0003971600000000 ] - [ -0.0001606600000000, -0.0005733700000000, -0.0010672500000000 ] - [ 0.0575798800000000, -0.1125657700000000, 0.0072718500000000 ] - [ 0.0001041300000000, 0.0002090300000000, 0.0006485700000000 ] - [ -0.0006617900000000, -0.0007802100000000, -0.0001451000000000 ] - [ -0.0000836600000000, 0.0009064400000000, -0.0001886700000000 ] - [ -0.0002268400000000, 0.0000304900000000, 0.0005041400000000 ] - [ -0.0110589100000000, 0.0054288000000000, 0.0012932300000000 ] - [ 0.0003388700000000, -0.0001069600000000, 0.0005984800000000 ] - [ 0.0003404800000000, 0.0010223200000000, 0.0004660700000000 ] - [ 0.0003477000000000, -0.0013695700000000, 0.0002736900000000 ] - [ 0.0001231300000000, 0.0024842800000000, -0.0002685700000000 ] - [ 0.0000162900000000, 0.0001515800000000, 0.0005320100000000 ] - [ -0.0002580400000000, -0.0003995000000000, -0.0000911300000000 ] - [ 0.0002455300000000, 0.0024488700000000, 0.0004090800000000 ] - [ 0.0001311400000000, 0.0017426400000000, -0.0004264000000000 ] - [ -0.0005869600000000, -0.0013832500000000, -0.0001348600000000 ] - [ 0.0001720700000000, -0.0009379300000000, 0.0003727300000000 ] - [ -0.0003589200000000, 0.0007969400000000, 0.0005390700000000 ] - [ -0.0004480300000000, -0.0015217900000000, -0.0005913300000000 ] - [ -0.0002879100000000, 0.0005800700000000, 0.0005285600000000 ] - [ -0.0003793800000000, -0.0909793000000000, -0.0999871600000000 ] - [ -0.0009996800000000, -0.0008054000000000, 0.0002984400000000 ] - [ 0.0020250200000000, 0.0017929100000000, 0.0016554700000000 ] - [ 0.0078933200000000, 0.0027773400000000, -0.0047373000000000 ] - [ -0.0011817500000000, 0.0008170400000000, 0.0014952200000000 ] - [ -0.0329018200000000, -0.0789903900000000, 0.0385380700000000 ] - [ -0.0003273100000000, 0.0027086100000000, 0.0000079700000000 ] - [ -0.0033047000000000, 0.0076000000000000, 0.0103912900000000 ] - [ 0.0003735000000000, -0.0006290200000000, -0.0000996400000000 ] - [ 0.0003481400000000, -0.0005279800000000, 0.0004762200000000 ] - [ -0.0001626700000000, -0.0000769600000000, 0.0004884200000000 ] - [ 0.0020529300000000, -0.0007403600000000, -0.0019427900000000 ] - [ 0.0004402200000000, 0.0014479800000000, 0.0005678400000000 ] - [ 0.0005773400000000, 0.0020424000000000, -0.0008591100000000 ] - [ 0.0011204100000000, -0.0018959800000000, 0.0005703700000000 ] - [ -0.0001689200000000, 0.0008789200000000, 0.0002350900000000 ] - [ -0.0007721000000000, 0.0010261600000000, -0.0003657900000000 ] - [ -0.0000703500000000, -0.0006484600000000, 0.0005796800000000 ] - [ 0.0001011600000000, 0.0000899400000000, -0.0007758600000000 ] - [ 0.0003620400000000, 0.0000808300000000, -0.0008667000000000 ] - [ 0.0000941500000000, 0.0006658400000000, -0.0002251600000000 ] - [ 0.0013447100000000, -0.0060431500000000, -0.0084817900000000 ] - [ 0.0006764900000000, 0.0005725500000000, 0.0004198000000000 ] - [ -0.0019600500000000, 0.0017836700000000, -0.0004934500000000 ] - [ -0.0530796800000000, -0.0578464500000000, -0.0275239700000000 ] - [ -0.0000587100000000, -0.0008964200000000, -0.0000816300000000 ] - [ -0.0001487700000000, 0.0003087000000000, 0.0005103800000000 ] - [ 0.0001350600000000, 0.0005771400000000, 0.0001851600000000 ] - [ -0.0003249100000000, 0.0005894800000000, -0.0024761400000000 ] - [ 0.0002234000000000, 0.0000484000000000, -0.0000180400000000 ] - [ 0.0003724600000000, -0.0010485600000000, -0.0000478600000000 ] - [ 0.0000974800000000, 0.0002546600000000, -0.0001871900000000 ] - [ -0.0001607600000000, 0.0026258300000000, -0.0003647800000000 ] - [ -0.0007769200000000, 0.0004922600000000, -0.0001307600000000 ] - [ -0.0000956900000000, -0.0002885400000000, 0.0006064100000000 ] - [ -0.0000674700000000, 0.0004473400000000, 0.0000489000000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001920700000000, 0.0000950800000000, 0.0008087100000000 ] - [ -0.0000927200000000, 0.0007976300000000, 0.0001317500000000 ] - [ 0.0000807600000000, -0.0002413500000000, -0.0004594100000000 ] - [ -0.0000790800000000, 0.0000316700000000, 0.0008440100000000 ] - [ -0.0000352400000000, -0.0002219300000000, -0.0006733400000000 ] - [ -0.0002809100000000, -0.0006148300000000, 0.0000242000000000 ] - [ -0.0002364100000000, -0.0000987300000000, 0.0001480100000000 ] - [ 0.0003072800000000, -0.0002061300000000, 0.0003616100000000 ] - [ -0.0003191000000000, -0.0005576600000000, 0.0022318600000000 ] - [ 0.0066182300000000, -0.0034460600000000, 0.0027665100000000 ] - [ -0.0003187100000000, 0.0004156900000000, -0.0003510400000000 ] - [ 0.0001927000000000, -0.0002518200000000, -0.0007451400000000 ] - [ 0.0019119300000000, 0.0005473300000000, -0.0011943100000000 ] - [ 0.0012700100000000, 0.0030390300000000, 0.0033074200000000 ] - [ -0.0000196600000000, 0.0000315800000000, 0.0006441700000000 ] - [ -0.0006929200000000, 0.0010911200000000, 0.0013686800000000 ] - [ 0.0001387900000000, -0.0012630000000000, 0.0003618300000000 ] - [ 0.0014760000000000, 0.0035744900000000, 0.0052257300000000 ] - [ 0.0000947600000000, 0.0002477100000000, 0.0005303400000000 ] - [ -0.0000066500000000, 0.0002567500000000, 0.0000340300000000 ] - [ -0.0001203700000000, 0.0000486000000000, -0.0005218500000000 ] - [ -0.0005314700000000, -0.0007048700000000, -0.0027804600000000 ] - [ 0.0000219800000000, 0.0000674300000000, 0.0022740300000000 ] - [ 0.0003210400000000, -0.0001264800000000, -0.0007160700000000 ] - [ -0.0004599900000000, 0.0002910200000000, -0.0004674500000000 ] - [ 0.0001469700000000, -0.0003095000000000, 0.0003884900000000 ] - [ -0.0026306300000000, -0.0044683800000000, 0.0064897600000000 ] - [ -0.0000794800000000, -0.0001224500000000, 0.0002165100000000 ] - [ -0.0004097800000000, 0.0002638400000000, -0.0005827400000000 ] - [ -0.0001356800000000, 0.0000137200000000, 0.0002223600000000 ] - [ -0.0000218500000000, -0.0000733700000000, 0.0006449200000000 ] - [ 0.0001527700000000, 0.0001652800000000, 0.0005440000000000 ] - [ -0.0000141400000000, 0.0019281600000000, -0.0049947000000000 ] - [ 0.0009560200000000, 0.0003922300000000, -0.0037750000000000 ] - [ -0.0000649200000000, 0.0003919100000000, -0.0002263800000000 ] - [ -0.0002156700000000, -0.0000912800000000, -0.0003641200000000 ] - [ 0.0004869700000000, 0.0000237700000000, 0.0006526100000000 ] - [ -0.0066758300000000, 0.0020811600000000, -0.0025517200000000 ] - [ 0.0043646700000000, -0.0030968600000000, 0.0055163800000000 ] - [ -0.0002783200000000, -0.0000215500000000, 0.0009437800000000 ] - [ -0.0018301600000000, 0.0007804500000000, 0.0037793300000000 ] - [ 0.0014046100000000, 0.0008469300000000, 0.0000876500000000 ] - [ 0.0016240500000000, -0.0014230100000000, 0.0042333200000000 ] - [ 0.0009430100000000, 0.0009046800000000, 0.0007537300000000 ] - [ 0.0006531000000000, -0.0012315800000000, 0.0023092700000000 ] - [ -0.0478772700000000, -0.0767219000000000, -0.4636647200000000 ] - [ -0.0004472400000000, -0.0011680500000000, 0.0007544300000000 ] - [ -0.0006806300000000, -0.0007578600000000, 0.0014969400000000 ] - [ -0.0017671000000000, -0.0002985500000000, 0.0006745700000000 ] - [ -0.0001624000000000, 0.0005440400000000, 0.0008517000000000 ] - [ -0.0003848900000000, 0.0001174700000000, -0.0001893800000000 ] - [ -0.0012798900000000, -0.0013124000000000, -0.0012501700000000 ] - [ -0.0054192600000000, -0.0059115100000000, 0.0004421700000000 ] - [ 0.0002553200000000, -0.0000392600000000, -0.0021739400000000 ] - [ 0.0007725000000000, -0.0011595900000000, -0.0023394300000000 ] - [ 0.0004270500000000, 0.0004386700000000, -0.0008229000000000 ] - [ 0.0008069000000000, -0.0003813300000000, -0.0001018400000000 ] - [ 0.0005077300000000, 0.0014277600000000, -0.0002293700000000 ] - [ -0.0002037700000000, 0.0004986700000000, -0.0007551700000000 ] - [ -0.0305365700000000, 0.0020482600000000, 0.0339767000000000 ] - [ 0.0002009800000000, -0.0004808200000000, 0.0024655300000000 ] - [ 0.0002756900000000, -0.0002280000000000, 0.0035019100000000 ] - [ -0.0000587000000000, 0.0009107100000000, 0.0014637900000000 ] - [ -0.0007706300000000, 0.0097533600000000, -0.0072258100000000 ] - [ 0.0015221500000000, 0.0011189400000000, 0.0011960100000000 ] - [ 0.0001242500000000, -0.0000876100000000, -0.0007920100000000 ] - [ -0.0005997400000000, -0.0005352300000000, 0.0008463600000000 ] - [ -0.0003534200000000, -0.0009069900000000, 0.0000372400000000 ] - [ 0.0019836600000000, 0.0011252700000000, -0.0016794500000000 ] - [ 0.0001087400000000, 0.0001025500000000, -0.0000955700000000 ] - [ -0.0002726900000000, 0.0005325100000000, -0.0005415500000000 ] - [ -0.0001050400000000, 0.0000483000000000, -0.0012874700000000 ] - [ -0.0001062900000000, -0.0001931100000000, 0.0001106600000000 ] - [ 0.0000188900000000, -0.0002742700000000, 0.0008852400000000 ] - [ 0.0048662800000000, -0.0105367500000000, 0.0019906800000000 ] - [ -0.0000322600000000, 0.0012655100000000, -0.0027881000000000 ] - [ -0.0003961200000000, 0.0007090100000000, -0.0013242300000000 ] - [ 0.0011098200000000, -0.0036279000000000, 0.0367525900000000 ] - [ -0.0001110700000000, -0.0000719100000000, -0.0020061600000000 ] - [ 0.0006583000000000, 0.0001553300000000, 0.0003885100000000 ] - [ -0.0002648300000000, 0.0000164800000000, 0.0002886800000000 ] - [ -0.0001975100000000, -0.0004262300000000, -0.0023466400000000 ] - [ 0.0001120800000000, -0.0007927500000000, 0.0024017400000000 ] - [ -0.0009126100000000, -0.0004935700000000, -0.0002734700000000 ] - [ -0.0000036900000000, 0.0001501800000000, 0.0001271300000000 ] - [ -0.0001320800000000, 0.0000037100000000, 0.0017910100000000 ] - [ 0.0001403800000000, -0.0003397200000000, 0.0005476700000000 ] - [ -0.0002021200000000, -0.0003372900000000, -0.0003518300000000 ] - [ 0.0003109000000000, 0.0001533100000000, -0.0011035300000000 ] - [ 0.0003494900000000, -0.0003314300000000, 0.0006170400000000 ] - [ -0.0000722900000000, 0.0000017600000000, 0.0004944000000000 ] - [ -0.0014229000000000, -0.0004101000000000, 0.0006381400000000 ] - [ -0.0003960800000000, -0.0003743700000000, -0.0007224600000000 ] - [ 0.0007732300000000, -0.0009326800000000, -0.0012791600000000 ] - [ 0.0017973200000000, 0.0005325200000000, -0.0000775000000000 ] - [ 0.0000707400000000, -0.0003472300000000, -0.0020606100000000 ] - [ 0.0007042800000000, 0.0947666100000000, 0.2333381800000000 ] - [ 0.0011056600000000, 0.0001992500000000, -0.0008835100000000 ] - [ -0.0016607200000000, -0.0017419300000000, 0.0006107000000000 ] - [ 0.0093502900000000, 0.0061918600000000, -0.0048910000000000 ] - [ 0.0022784300000000, -0.0022367500000000, -0.0019064600000000 ] - [ -0.0352256000000000, -0.0434698400000000, 0.0774444500000000 ] - [ -0.0001956700000000, -0.0005681000000000, 0.0008211200000000 ] - [ 0.0002494300000000, -0.0005397200000000, 0.0036880600000000 ] - [ -0.0008491100000000, 0.0000324200000000, -0.0022944800000000 ] - [ 0.0000789500000000, 0.0007171800000000, -0.0017207300000000 ] - [ 0.0005744100000000, -0.0003887200000000, -0.0006037700000000 ] - [ 0.0011593700000000, 0.0004816900000000, 0.0017779200000000 ] - [ -0.0002816300000000, -0.0005376400000000, -0.0003182000000000 ] - [ 0.0006314100000000, 0.0024328500000000, -0.0007687400000000 ] - [ -0.0016820600000000, 0.0010372900000000, -0.0038420700000000 ] - [ 0.0002030300000000, -0.0005705600000000, 0.0001029700000000 ] - [ -0.0007280800000000, 0.0007590300000000, -0.0003057200000000 ] - [ -0.0005801100000000, -0.0003106100000000, -0.0012624300000000 ] - [ 0.0002913100000000, 0.0001673600000000, -0.0013487300000000 ] - [ 0.0003829600000000, 0.0006481400000000, -0.0002001500000000 ] - [ -0.0001431200000000, 0.0001035700000000, -0.0006240700000000 ] - [ 0.0024644000000000, -0.0012765300000000, -0.0094510500000000 ] - [ -0.0007425300000000, -0.0001364900000000, -0.0003567100000000 ] - [ -0.0011713900000000, 0.0024929900000000, 0.0015692300000000 ] - [ 0.0942137200000000, 0.0278670500000000, 0.0891295400000000 ] - [ 0.0002070000000000, 0.0005620600000000, -0.0023572400000000 ] - [ -0.0000169700000000, -0.0000929600000000, -0.0005765400000000 ] - [ 0.0002571400000000, 0.0003322100000000, -0.0003529800000000 ] - [ -0.0007672500000000, 0.0020162900000000, -0.0005762500000000 ] - [ 0.0002234900000000, 0.0000850400000000, -0.0008312500000000 ] - [ -0.0000554700000000, 0.0001826800000000, 0.0015462600000000 ] - [ 0.0001768700000000, 0.0003104200000000, -0.0004867900000000 ] - [ 0.0004506100000000, 0.0000526400000000, 0.0006915600000000 ] - [ -0.0003334100000000, -0.0005975100000000, 0.0014122500000000 ] - [ -0.0005058400000000, -0.0005743500000000, -0.0004662800000000 ] - [ 0.0001048600000000, -0.0003292400000000, -0.0004067300000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001790700000000, -0.0000467000000000, -0.0006905900000000 ] - [ -0.0000563700000000, -0.0007000700000000, 0.0000339800000000 ] - [ -0.0001120300000000, 0.0004532000000000, 0.0004660700000000 ] - [ -0.0001116900000000, 0.0001833600000000, -0.0008692000000000 ] - [ -0.0001569800000000, 0.0000039800000000, 0.0007037300000000 ] - [ 0.0003152600000000, 0.0008319700000000, -0.0000316800000000 ] - [ -0.0000396000000000, -0.0000640700000000, -0.0004534000000000 ] - [ -0.0001603300000000, 0.0001127200000000, -0.0005232000000000 ] - [ 0.0001222200000000, 0.0007679900000000, -0.0022004900000000 ] - [ -0.0066922300000000, 0.0034183200000000, -0.0029023400000000 ] - [ 0.0003308300000000, -0.0004621400000000, 0.0002361900000000 ] - [ -0.0001775200000000, 0.0002060800000000, 0.0008591500000000 ] - [ -0.0018944300000000, -0.0005875300000000, 0.0013021600000000 ] - [ -0.0011111400000000, -0.0030953900000000, -0.0031128300000000 ] - [ 0.0002950000000000, -0.0001969900000000, -0.0009498000000000 ] - [ 0.0006723000000000, -0.0010366900000000, -0.0014825000000000 ] - [ -0.0002894700000000, 0.0011680100000000, -0.0002030400000000 ] - [ -0.0015116300000000, -0.0033780400000000, -0.0052411100000000 ] - [ 0.0000999000000000, -0.0000278000000000, -0.0005029700000000 ] - [ -0.0000272100000000, -0.0004665300000000, -0.0000468000000000 ] - [ -0.0000731100000000, -0.0002649300000000, 0.0004943800000000 ] - [ 0.0007975200000000, 0.0008541000000000, 0.0030927500000000 ] - [ 0.0002560400000000, -0.0002335400000000, -0.0019634800000000 ] - [ -0.0000434100000000, 0.0002905800000000, 0.0004130100000000 ] - [ 0.0006081000000000, -0.0001975800000000, 0.0003010300000000 ] - [ -0.0001323900000000, 0.0003556900000000, -0.0005044700000000 ] - [ 0.0028031900000000, 0.0045873600000000, -0.0063869500000000 ] - [ 0.0000464900000000, -0.0000895900000000, -0.0002053200000000 ] - [ 0.0001337400000000, -0.0000990900000000, 0.0002779300000000 ] - [ -0.0000121500000000, -0.0001072500000000, -0.0003840400000000 ] - [ -0.0002546400000000, -0.0000882300000000, -0.0003392800000000 ] - [ 0.0000386900000000, 0.0000534900000000, -0.0005711400000000 ] - [ -0.0002646300000000, -0.0017298100000000, 0.0053052600000000 ] - [ -0.0007572900000000, -0.0006096600000000, 0.0037496700000000 ] - [ 0.0000982500000000, -0.0001782800000000, 0.0002341000000000 ] - [ 0.0000682400000000, 0.0001852300000000, 0.0002001700000000 ] - [ -0.0004536000000000, -0.0002394900000000, -0.0006400500000000 ] - [ 0.0068740800000000, -0.0023149200000000, 0.0025885700000000 ] - [ -0.0042906300000000, 0.0028348200000000, -0.0054763600000000 ] - [ 0.0002677300000000, 0.0000701400000000, -0.0008264600000000 ] - [ 0.0017273500000000, -0.0003484800000000, -0.0031316800000000 ] - [ -0.0014984800000000, -0.0013221300000000, -0.0004800400000000 ] - [ -0.0015288400000000, 0.0019076800000000, -0.0038338500000000 ] - [ -0.0008312100000000, -0.0004179600000000, -0.0011556100000000 ] - [ -0.0005604200000000, 0.0016727500000000, -0.0016743800000000 ] - [ 0.0472773300000000, 0.0876790200000000, 0.4749477600000000 ] - [ 0.0003458300000000, 0.0016522200000000, -0.0011570300000000 ] - [ 0.0009917200000000, 0.0006949300000000, -0.0017790200000000 ] - [ 0.0018665300000000, -0.0001435800000000, -0.0013061400000000 ] - [ -0.0001465900000000, -0.0006035300000000, -0.0011315400000000 ] - [ 0.0002845400000000, -0.0005497400000000, 0.0008186600000000 ] - [ 0.0013860900000000, 0.0008285100000000, 0.0008548700000000 ] - [ 0.0053244000000000, 0.0063518100000000, -0.0010822000000000 ] - [ -0.0005665700000000, 0.0000989700000000, 0.0018998200000000 ] - [ -0.0008731900000000, 0.0006755700000000, 0.0027287300000000 ] - [ -0.0001159700000000, -0.0003717800000000, 0.0005452900000000 ] - [ -0.0009070800000000, -0.0000455400000000, -0.0005291900000000 ] - [ -0.0004054700000000, -0.0009871800000000, -0.0004127800000000 ] - [ 0.0005101600000000, -0.0004325300000000, 0.0010328700000000 ] - [ 0.0303268600000000, -0.0026493800000000, -0.0332290600000000 ] - [ -0.0005137300000000, 0.0004216300000000, -0.0021826100000000 ] - [ 0.0000339400000000, 0.0001606000000000, -0.0032103900000000 ] - [ -0.0000392600000000, -0.0004261500000000, -0.0010622000000000 ] - [ 0.0008595700000000, -0.0102208300000000, 0.0075151400000000 ] - [ -0.0013175600000000, -0.0012882000000000, -0.0015032200000000 ] - [ -0.0004210200000000, 0.0003624300000000, 0.0005723100000000 ] - [ 0.0007117100000000, 0.0006150800000000, -0.0002128500000000 ] - [ 0.0001455200000000, 0.0007399800000000, -0.0003434200000000 ] - [ -0.0019487900000000, -0.0011717200000000, 0.0017704000000000 ] - [ -0.0002655200000000, -0.0006362600000000, -0.0001673800000000 ] - [ -0.0000218100000000, -0.0002586200000000, 0.0007615100000000 ] - [ 0.0002183300000000, -0.0001296200000000, 0.0006492600000000 ] - [ -0.0001993700000000, 0.0001469500000000, -0.0002929900000000 ] - [ 0.0000887800000000, 0.0000544400000000, -0.0003984000000000 ] - [ -0.0050459100000000, 0.0102913200000000, -0.0019615800000000 ] - [ 0.0001419400000000, -0.0010371300000000, 0.0022919800000000 ] - [ 0.0002174100000000, -0.0004888200000000, 0.0013115900000000 ] - [ -0.0005757600000000, 0.0028507800000000, -0.0373771000000000 ] - [ 0.0000043200000000, 0.0002844800000000, 0.0015164900000000 ] - [ -0.0006981600000000, -0.0001068600000000, -0.0003095000000000 ] - [ 0.0003061500000000, 0.0000275300000000, -0.0002081600000000 ] - [ 0.0002366400000000, 0.0003823500000000, 0.0022547200000000 ] - [ 0.0001401800000000, 0.0005391600000000, -0.0026100600000000 ] - [ 0.0007247400000000, 0.0007115600000000, 0.0002896000000000 ] - [ 0.0002116100000000, 0.0000159600000000, 0.0001831700000000 ] - [ 0.0000229400000000, -0.0002210700000000, -0.0013033000000000 ] - [ -0.0000311600000000, 0.0001204100000000, -0.0010383900000000 ] - [ 0.0001614000000000, 0.0002906700000000, 0.0004373600000000 ] - [ -0.0005194800000000, 0.0000164700000000, 0.0007930600000000 ] - [ -0.0003065600000000, 0.0003775400000000, -0.0006951200000000 ] - [ 0.0002523400000000, -0.0002253400000000, -0.0005030900000000 ] - [ 0.0017342000000000, 0.0003698600000000, -0.0008237300000000 ] - [ 0.0005479200000000, -0.0001605600000000, 0.0004599200000000 ] - [ -0.0005901400000000, 0.0011535000000000, 0.0012623800000000 ] - [ -0.0019837800000000, -0.0007537900000000, 0.0000869000000000 ] - [ -0.0003735600000000, 0.0003923500000000, 0.0022324600000000 ] - [ -0.0007356400000000, -0.1027560500000000, -0.2468659300000000 ] - [ -0.0011028500000000, -0.0001946100000000, 0.0008794100000000 ] - [ 0.0013575100000000, 0.0014586200000000, -0.0003969400000000 ] - [ -0.0093946300000000, -0.0061926100000000, 0.0049365400000000 ] - [ -0.0020647100000000, 0.0020641100000000, 0.0022080300000000 ] - [ 0.0330007900000000, 0.0408300800000000, -0.0753667800000000 ] - [ -0.0001083400000000, 0.0005174900000000, -0.0006374900000000 ] - [ -0.0000819100000000, 0.0010718000000000, -0.0033824600000000 ] - [ 0.0011499300000000, 0.0002436800000000, 0.0020744200000000 ] - [ 0.0002257200000000, -0.0006768400000000, 0.0019039400000000 ] - [ -0.0002670000000000, 0.0004316100000000, 0.0004239400000000 ] - [ -0.0008682900000000, -0.0007576500000000, -0.0015652800000000 ] - [ 0.0004605200000000, 0.0003088300000000, 0.0003262000000000 ] - [ -0.0004502200000000, -0.0022124000000000, 0.0007845500000000 ] - [ 0.0018453600000000, -0.0015635900000000, 0.0041120300000000 ] - [ -0.0002028500000000, 0.0005676700000000, -0.0001002000000000 ] - [ 0.0007336000000000, -0.0007657100000000, 0.0003042400000000 ] - [ 0.0008676300000000, 0.0005842600000000, 0.0014749200000000 ] - [ -0.0003300100000000, -0.0002183100000000, 0.0012635100000000 ] - [ -0.0002272800000000, -0.0001164600000000, -0.0000668900000000 ] - [ 0.0003514600000000, 0.0000614500000000, 0.0003135800000000 ] - [ -0.0026177700000000, 0.0014688300000000, 0.0097314800000000 ] - [ 0.0005815800000000, 0.0006696900000000, 0.0000873400000000 ] - [ 0.0010139200000000, -0.0019503500000000, -0.0012925400000000 ] - [ -0.0918540300000000, -0.0273864500000000, -0.0892018900000000 ] - [ -0.0003205900000000, -0.0006474100000000, 0.0017191200000000 ] - [ -0.0000913500000000, 0.0003117100000000, 0.0010648900000000 ] - [ -0.0001430000000000, -0.0004162800000000, 0.0009888200000000 ] - [ 0.0005633800000000, -0.0021929500000000, 0.0008834800000000 ] - [ -0.0001154400000000, 0.0001366500000000, 0.0013201500000000 ] - [ -0.0000616200000000, -0.0000964200000000, -0.0009144400000000 ] - [ -0.0004834600000000, -0.0002652800000000, 0.0003066400000000 ] - [ -0.0003311300000000, 0.0000303500000000, -0.0013225100000000 ] - [ 0.0000366300000000, 0.0003206800000000, -0.0016265700000000 ] - [ 0.0003862700000000, 0.0004874400000000, 0.0011002500000000 ] - [ -0.0002632400000000, -0.0002080000000000, 0.0006715800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002896200000000, -0.0000135900000000, -0.0003427200000000 ] - [ -0.0003154900000000, 0.0001069300000000, 0.0001419000000000 ] - [ 0.0049922800000000, -0.0001673000000000, -0.0002736500000000 ] - [ -0.0003310400000000, 0.0002482700000000, 0.0003813100000000 ] - [ -0.0000904300000000, 0.0000900100000000, 0.0003011800000000 ] - [ -0.0001402400000000, 0.0000838400000000, -0.0000263200000000 ] - [ 0.0001508300000000, -0.0003646200000000, 0.0001404000000000 ] - [ 0.0002704500000000, -0.0000067900000000, -0.0001298700000000 ] - [ -0.0000634300000000, -0.0000306000000000, -0.0013870700000000 ] - [ 0.0001021500000000, -0.0001837300000000, 0.0001943800000000 ] - [ -0.0003754900000000, -0.0001951100000000, -0.0003933800000000 ] - [ 0.0033038400000000, -0.0015296600000000, 0.0006308800000000 ] - [ -0.0004935600000000, 0.0004482200000000, -0.0001552100000000 ] - [ -0.0004936400000000, -0.0002275700000000, -0.0000005400000000 ] - [ 0.0007606200000000, 0.0001457900000000, 0.0000394200000000 ] - [ 0.0002690200000000, -0.0003634500000000, -0.0003724200000000 ] - [ -0.0019337200000000, 0.0003411500000000, 0.0000061200000000 ] - [ -0.0001383400000000, 0.0001025500000000, 0.0001394000000000 ] - [ -0.0001171000000000, 0.0000752200000000, 0.0000810400000000 ] - [ -0.0003140700000000, 0.0001502700000000, -0.0000092400000000 ] - [ -0.0003349200000000, -0.0004110200000000, -0.0002212400000000 ] - [ -0.0001772800000000, -0.0000129300000000, 0.0002433800000000 ] - [ -0.0002339500000000, -0.0001228600000000, 0.0000265200000000 ] - [ 0.0004149200000000, 0.0000811900000000, -0.0001310000000000 ] - [ 0.0011541200000000, 0.0006978400000000, -0.0000232100000000 ] - [ -0.0008518000000000, -0.0002376100000000, 0.0004120000000000 ] - [ -0.0001615200000000, 0.0000147500000000, 0.0001105500000000 ] - [ 0.0000222900000000, -0.0001434200000000, -0.0000684800000000 ] - [ -0.0002351200000000, -0.0001036300000000, -0.0027407800000000 ] - [ 0.0001036100000000, -0.0001430500000000, -0.0001797200000000 ] - [ -0.0004916500000000, 0.0000136600000000, -0.0000997800000000 ] - [ 0.0003676100000000, 0.0002512700000000, -0.0001663100000000 ] - [ -0.0014418400000000, 0.0003522400000000, 0.0006947200000000 ] - [ 0.0042610300000000, 0.0013462500000000, -0.0010665800000000 ] - [ 0.0005917000000000, 0.0000635800000000, 0.0001048500000000 ] - [ 0.0018250400000000, -0.0004198600000000, -0.0003907600000000 ] - [ 0.0003109400000000, -0.0000791500000000, -0.0000001100000000 ] - [ -0.0007040300000000, 0.0001562000000000, -0.0002966200000000 ] - [ -0.0012718700000000, 0.0001605400000000, 0.0001511700000000 ] - [ -0.0001261600000000, 0.0000893800000000, 0.0000962000000000 ] - [ -0.0006655200000000, 0.0001441400000000, 0.0000575400000000 ] - [ 0.0018871600000000, 0.0003891000000000, 0.0002744300000000 ] - [ 0.0001723100000000, 0.0001638200000000, 0.0000395300000000 ] - [ -0.0010503800000000, 0.0014431400000000, 0.0011160300000000 ] - [ 0.0001714000000000, 0.0001182300000000, 0.0002816300000000 ] - [ -0.0020330700000000, -0.0012572100000000, 0.0015609500000000 ] - [ 0.0067999300000000, 0.0088423600000000, -0.0047126100000000 ] - [ 0.0035164700000000, -0.0015207700000000, 0.0024283300000000 ] - [ -0.0004364300000000, -0.0000239600000000, -0.0008403400000000 ] - [ 0.0005784300000000, 0.0002046600000000, -0.0000324800000000 ] - [ -0.0015744500000000, -0.0011683500000000, 0.0007377000000000 ] - [ -0.0003488300000000, 0.0000960100000000, -0.0004674900000000 ] - [ 0.1185387400000000, 0.0295496900000000, 0.1232550400000000 ] - [ 0.0006139900000000, 0.0013123000000000, -0.0023081400000000 ] - [ -0.0030531600000000, -0.0012350600000000, 0.0007536500000000 ] - [ 0.0011035200000000, -0.0001895200000000, -0.0008007100000000 ] - [ 0.0004659400000000, -0.0001128900000000, -0.0006115000000000 ] - [ 0.0001067000000000, 0.0002497200000000, -0.0001347300000000 ] - [ -0.0016683800000000, -0.0001559300000000, 0.0003899100000000 ] - [ -0.0074637200000000, -0.0098083400000000, 0.0038632200000000 ] - [ -0.0004869300000000, -0.0000424000000000, -0.0001088800000000 ] - [ -0.0006249700000000, 0.0001221900000000, -0.0002772500000000 ] - [ -0.0005734200000000, 0.0002392900000000, 0.0001409100000000 ] - [ -0.0000989400000000, -0.0019750000000000, 0.0013108000000000 ] - [ -0.1407341500000000, -0.0337868300000000, -0.1441882100000000 ] - [ 0.0000818700000000, 0.0002269100000000, -0.0002632600000000 ] - [ -0.0014123600000000, 0.0001043100000000, 0.0006211000000000 ] - [ -0.0002173300000000, -0.0000930300000000, -0.0002108300000000 ] - [ -0.0078312200000000, -0.0017109900000000, -0.0060641100000000 ] - [ -0.0030759900000000, -0.0017953700000000, -0.0005854800000000 ] - [ -0.0001017900000000, -0.0024683900000000, 0.0018615700000000 ] - [ 0.0005951800000000, -0.0002570500000000, -0.0002477900000000 ] - [ -0.0004379700000000, 0.0004079100000000, 0.0002257200000000 ] - [ -0.0009430000000000, 0.0004527600000000, 0.0008900300000000 ] - [ -0.0001658200000000, 0.0031183900000000, -0.0013063500000000 ] - [ 0.0007359100000000, 0.0000502800000000, 0.0001002800000000 ] - [ -0.0001980500000000, 0.0001870600000000, 0.0000448000000000 ] - [ 0.0003078900000000, 0.0005780400000000, -0.0008345100000000 ] - [ 0.0001940900000000, 0.0000806400000000, -0.0000689100000000 ] - [ 0.0001857800000000, -0.0004047700000000, 0.0008719300000000 ] - [ -0.0004817300000000, 0.0001299300000000, 0.0005201500000000 ] - [ 0.0004626200000000, 0.0000150500000000, 0.0003000700000000 ] - [ -0.0004557400000000, 0.0003126000000000, -0.0005238900000000 ] - [ 0.0003319300000000, -0.0003914200000000, -0.0000754500000000 ] - [ 0.0009387600000000, 0.0001432600000000, -0.0001507200000000 ] - [ -0.0006522700000000, -0.0025003700000000, 0.0026278000000000 ] - [ 0.0005740600000000, -0.0000804300000000, -0.0003850300000000 ] - [ -0.0002519100000000, 0.0000415300000000, -0.0001735700000000 ] - [ -0.0001467500000000, -0.0000505000000000, -0.0000421300000000 ] - [ 0.0008645200000000, 0.0001841500000000, 0.0002258200000000 ] - [ 0.0016553300000000, 0.0005914000000000, -0.0003560500000000 ] - [ -0.0010808400000000, -0.0001531900000000, 0.0003742200000000 ] - [ 0.0005819800000000, -0.0027588900000000, -0.0015257700000000 ] - [ 0.0003483200000000, 0.0001512200000000, 0.0000894700000000 ] - [ 0.0001845100000000, -0.0002627900000000, 0.0001197000000000 ] - [ 0.0002279200000000, -0.0000300400000000, 0.0003031800000000 ] - [ 0.0006025500000000, 0.0000312100000000, -0.0008751400000000 ] - [ 0.0003835000000000, 0.0001711900000000, 0.0001456200000000 ] - [ -0.0005657600000000, -0.0005946300000000, -0.0012980300000000 ] - [ 0.0134975200000000, 0.0190033700000000, 0.0108468600000000 ] - [ 0.0005407300000000, -0.0000853000000000, 0.0002674700000000 ] - [ 0.0024964800000000, 0.0015171800000000, -0.0021139600000000 ] - [ 0.0013124000000000, -0.0004954600000000, -0.0003375000000000 ] - [ 0.0002900100000000, 0.0007787700000000, 0.0000409000000000 ] - [ -0.0002118700000000, 0.0002107200000000, 0.0000818600000000 ] - [ 0.0004578000000000, 0.0000045700000000, 0.0001802600000000 ] - [ -0.0004409800000000, -0.0000371900000000, -0.0000902600000000 ] - [ 0.0005065200000000, -0.0002266900000000, 0.0001641600000000 ] - [ -0.0003164500000000, -0.0003488900000000, -0.0000429600000000 ] - [ 0.0037043400000000, -0.0108922000000000, 0.0190684000000000 ] - [ 0.0000756600000000, -0.0001989200000000, 0.0001530900000000 ] - [ 0.0003707700000000, 0.0001412100000000, -0.0001131200000000 ] - [ -0.0002087700000000, 0.0001057200000000, 0.0000586200000000 ] - [ 0.0009490800000000, -0.0000152800000000, -0.0003351500000000 ] - [ 0.0000102000000000, -0.0000375200000000, 0.0000538100000000 ] - [ 0.0000902000000000, 0.0001452300000000, 0.0000153900000000 ] - [ -0.0001985300000000, 0.0000554800000000, 0.0000082300000000 ] - [ 0.0029077800000000, 0.0025023200000000, 0.0014294400000000 ] - [ -0.0009407500000000, 0.0003233700000000, -0.0001560700000000 ] - [ 0.0017735800000000, 0.0003283900000000, -0.0003404000000000 ] - [ 0.0014581500000000, 0.0002644200000000, 0.0000025400000000 ] - [ 0.0000203300000000, 0.0000330800000000, -0.0001287700000000 ] - [ -0.0003171100000000, 0.0000457200000000, 0.0001563200000000 ] - [ -0.0034456600000000, 0.0009476600000000, 0.0018677000000000 ] - [ -0.0000344400000000, -0.0000543800000000, 0.0000632600000000 ] - [ -0.0006483500000000, 0.0001372100000000, -0.0005060600000000 ] - [ 0.0002696000000000, -0.0007075500000000, 0.0009068400000000 ] - [ -0.0008493700000000, 0.0004642700000000, -0.0032140800000000 ] - [ 0.0017183300000000, 0.0008342700000000, 0.0000443800000000 ] - [ 0.0025403300000000, 0.0007819300000000, 0.0004850300000000 ] - [ -0.0003431100000000, -0.0006083000000000, -0.0002029600000000 ] - [ 0.0002318000000000, -0.0002047100000000, 0.0002045700000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002742200000000, 0.0000605200000000, 0.0004623500000000 ] - [ 0.0001680600000000, -0.0000132200000000, 0.0000219500000000 ] - [ -0.0053758700000000, 0.0005230200000000, 0.0003503800000000 ] - [ 0.0001338100000000, -0.0000297600000000, -0.0004099200000000 ] - [ -0.0001026200000000, -0.0003067100000000, -0.0002736700000000 ] - [ 0.0001736600000000, 0.0001295000000000, 0.0000168000000000 ] - [ -0.0004301100000000, 0.0001984000000000, -0.0004462200000000 ] - [ -0.0001235600000000, -0.0000861400000000, -0.0000320000000000 ] - [ -0.0001214500000000, 0.0002494800000000, 0.0014146400000000 ] - [ -0.0001151300000000, 0.0001362100000000, -0.0003101600000000 ] - [ 0.0003897000000000, 0.0001476800000000, 0.0002800700000000 ] - [ -0.0032533300000000, 0.0013985000000000, -0.0005460100000000 ] - [ 0.0004805800000000, -0.0005005700000000, 0.0002733200000000 ] - [ 0.0006428100000000, 0.0001333200000000, 0.0001629600000000 ] - [ -0.0004886200000000, -0.0002972200000000, -0.0003423100000000 ] - [ -0.0002815800000000, 0.0004119400000000, 0.0002554000000000 ] - [ 0.0017880000000000, -0.0004335300000000, 0.0001535900000000 ] - [ 0.0001059600000000, 0.0001103900000000, -0.0001486700000000 ] - [ 0.0003098700000000, 0.0001416100000000, -0.0000546300000000 ] - [ 0.0002824300000000, -0.0003640400000000, -0.0000019200000000 ] - [ 0.0001424700000000, 0.0001960200000000, 0.0001952100000000 ] - [ 0.0004540200000000, 0.0001767700000000, 0.0000619700000000 ] - [ 0.0005112400000000, -0.0000405900000000, 0.0002776400000000 ] - [ -0.0001394500000000, 0.0000830800000000, -0.0001737900000000 ] - [ -0.0010107000000000, -0.0006010100000000, -0.0001404300000000 ] - [ 0.0008650400000000, 0.0002871200000000, -0.0005322000000000 ] - [ 0.0003101200000000, 0.0000787500000000, 0.0000530800000000 ] - [ -0.0000562000000000, -0.0000700400000000, 0.0000796400000000 ] - [ -0.0000487900000000, 0.0002657700000000, 0.0024368200000000 ] - [ -0.0002533500000000, 0.0000476500000000, 0.0000204100000000 ] - [ 0.0002168200000000, -0.0001779000000000, 0.0004054000000000 ] - [ -0.0001751400000000, -0.0000357000000000, 0.0001399600000000 ] - [ 0.0011633900000000, -0.0001882400000000, -0.0003862500000000 ] - [ -0.0040644900000000, -0.0015241100000000, 0.0009853800000000 ] - [ -0.0005605900000000, 0.0001495500000000, -0.0000965600000000 ] - [ -0.0020447700000000, 0.0004218500000000, 0.0002331800000000 ] - [ -0.0002779300000000, -0.0001326700000000, 0.0000141500000000 ] - [ 0.0008992000000000, -0.0003743600000000, 0.0003274500000000 ] - [ 0.0013102100000000, -0.0003753800000000, -0.0001642900000000 ] - [ 0.0001124900000000, -0.0000408700000000, 0.0000195800000000 ] - [ 0.0005677500000000, 0.0002902800000000, 0.0005808700000000 ] - [ -0.0019916900000000, -0.0008725200000000, -0.0006693900000000 ] - [ -0.0000678100000000, 0.0003198600000000, 0.0003605300000000 ] - [ 0.0011523900000000, -0.0009670500000000, -0.0015217000000000 ] - [ -0.0000724200000000, 0.0003168100000000, 0.0003551600000000 ] - [ 0.0017268600000000, 0.0013201000000000, -0.0012799300000000 ] - [ -0.0068828700000000, -0.0083751900000000, 0.0043260300000000 ] - [ -0.0032867500000000, 0.0013762900000000, -0.0026509000000000 ] - [ 0.0005332700000000, -0.0004108600000000, 0.0002089300000000 ] - [ -0.0008924600000000, -0.0002688300000000, -0.0002484300000000 ] - [ 0.0014811400000000, 0.0007384600000000, -0.0001042200000000 ] - [ 0.0004506100000000, -0.0005781900000000, 0.0000697800000000 ] - [ -0.1176048700000000, -0.0280728400000000, -0.1195513600000000 ] - [ -0.0009257400000000, -0.0012501900000000, 0.0020317300000000 ] - [ 0.0029620900000000, 0.0007621100000000, -0.0003565800000000 ] - [ -0.0007974900000000, 0.0002555300000000, 0.0005265200000000 ] - [ -0.0005653600000000, -0.0003215400000000, -0.0000211300000000 ] - [ -0.0000118100000000, 0.0001843600000000, -0.0005026900000000 ] - [ 0.0019823900000000, 0.0002233000000000, -0.0001102600000000 ] - [ 0.0075547400000000, 0.0093749800000000, -0.0032209000000000 ] - [ 0.0001791100000000, -0.0000211100000000, 0.0003871900000000 ] - [ 0.0009370000000000, -0.0001854400000000, 0.0005549300000000 ] - [ 0.0004721200000000, 0.0002431200000000, 0.0002581400000000 ] - [ 0.0002004100000000, 0.0014931000000000, -0.0009131000000000 ] - [ 0.1402611000000000, 0.0324800100000000, 0.1393300400000000 ] - [ -0.0003764400000000, 0.0000491700000000, 0.0000444600000000 ] - [ 0.0015318800000000, -0.0000210200000000, 0.0000094800000000 ] - [ 0.0000120000000000, -0.0000750900000000, -0.0000991600000000 ] - [ 0.0078767700000000, 0.0016537000000000, 0.0059471500000000 ] - [ 0.0029194300000000, 0.0012762500000000, 0.0003200000000000 ] - [ -0.0001973300000000, 0.0027424400000000, -0.0016424200000000 ] - [ -0.0004810700000000, 0.0001735700000000, -0.0003865500000000 ] - [ 0.0001338600000000, -0.0004546100000000, -0.0004099600000000 ] - [ 0.0010543100000000, -0.0006740800000000, -0.0004065900000000 ] - [ -0.0000156800000000, -0.0033376400000000, 0.0012914100000000 ] - [ -0.0006300000000000, 0.0001678700000000, -0.0005832600000000 ] - [ 0.0000178500000000, 0.0000355200000000, -0.0000573000000000 ] - [ -0.0004246900000000, -0.0004926600000000, 0.0001995500000000 ] - [ -0.0003041100000000, 0.0001385000000000, -0.0004160900000000 ] - [ -0.0002263800000000, 0.0004521300000000, -0.0007924700000000 ] - [ 0.0005245100000000, -0.0000850800000000, -0.0004413000000000 ] - [ -0.0004230300000000, -0.0000598700000000, -0.0003840800000000 ] - [ 0.0007519000000000, -0.0005882600000000, 0.0003053600000000 ] - [ -0.0005121300000000, 0.0006175900000000, 0.0000883400000000 ] - [ -0.0007324600000000, 0.0000232300000000, 0.0004598500000000 ] - [ 0.0005523300000000, 0.0022858500000000, -0.0021418800000000 ] - [ -0.0004670900000000, -0.0001410500000000, -0.0001046600000000 ] - [ 0.0002135900000000, -0.0000853600000000, 0.0002589500000000 ] - [ -0.0000595400000000, 0.0002168800000000, -0.0002687200000000 ] - [ -0.0008262400000000, -0.0001404600000000, -0.0003083300000000 ] - [ -0.0014794700000000, -0.0008192000000000, 0.0003474200000000 ] - [ 0.0013896900000000, 0.0001083900000000, -0.0005580800000000 ] - [ -0.0004200100000000, 0.0022400700000000, 0.0012701000000000 ] - [ -0.0001676000000000, 0.0000721200000000, -0.0001024300000000 ] - [ -0.0003632900000000, 0.0000388100000000, -0.0001100300000000 ] - [ -0.0005361300000000, 0.0000750800000000, -0.0001225000000000 ] - [ -0.0007135000000000, -0.0002499800000000, 0.0003872500000000 ] - [ -0.0003830700000000, -0.0001709300000000, -0.0001476500000000 ] - [ 0.0002679800000000, 0.0003199500000000, 0.0015154600000000 ] - [ -0.0134262800000000, -0.0187944000000000, -0.0106772800000000 ] - [ -0.0003346900000000, -0.0000822400000000, 0.0000401200000000 ] - [ -0.0025390500000000, -0.0014694500000000, 0.0020322800000000 ] - [ -0.0016220200000000, 0.0004495000000000, 0.0005193000000000 ] - [ -0.0001337900000000, -0.0002454900000000, 0.0002248300000000 ] - [ 0.0005054000000000, 0.0000624900000000, -0.0003025500000000 ] - [ -0.0001538800000000, 0.0000405300000000, 0.0000013200000000 ] - [ 0.0007476400000000, 0.0000807000000000, -0.0000900800000000 ] - [ -0.0002125500000000, -0.0000478800000000, 0.0000538900000000 ] - [ 0.0004969900000000, 0.0001250800000000, 0.0000524000000000 ] - [ -0.0035247400000000, 0.0110198600000000, -0.0188654200000000 ] - [ 0.0000792700000000, -0.0003332300000000, 0.0001103500000000 ] - [ -0.0003715500000000, -0.0001428300000000, 0.0001143900000000 ] - [ 0.0002090400000000, -0.0001059400000000, -0.0000595100000000 ] - [ -0.0006523700000000, 0.0002927800000000, 0.0005552300000000 ] - [ -0.0000522400000000, -0.0000087800000000, -0.0001357100000000 ] - [ 0.0000662900000000, 0.0003863200000000, -0.0002807500000000 ] - [ 0.0004071100000000, 0.0001126800000000, -0.0003189200000000 ] - [ -0.0031084300000000, -0.0023321300000000, -0.0011150300000000 ] - [ 0.0007845000000000, 0.0002109900000000, -0.0001129800000000 ] - [ -0.0019370900000000, 0.0002002100000000, 0.0006073700000000 ] - [ -0.0011568800000000, -0.0003085200000000, 0.0001770900000000 ] - [ -0.0001374300000000, -0.0001182400000000, -0.0005050200000000 ] - [ 0.0002101000000000, 0.0001755300000000, 0.0003328000000000 ] - [ 0.0035523400000000, -0.0010087700000000, -0.0012364000000000 ] - [ -0.0001746500000000, -0.0001128600000000, 0.0002442700000000 ] - [ 0.0007752400000000, 0.0000915100000000, 0.0009657100000000 ] - [ -0.0003843400000000, 0.0007924300000000, -0.0002740300000000 ] - [ 0.0005713100000000, -0.0004096900000000, 0.0030453100000000 ] - [ -0.0016091800000000, -0.0007549200000000, -0.0006805500000000 ] - [ -0.0028462400000000, -0.0010631400000000, -0.0007081400000000 ] - [ 0.0002318000000000, 0.0005262100000000, 0.0008419100000000 ] - [ -0.0003900900000000, -0.0003297500000000, 0.0000609700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000202300000000, 0.0003516400000000, 0.0002627700000000 ] - [ 0.0000444800000000, 0.0001628300000000, -0.0000705800000000 ] - [ -0.0007328200000000, 0.0028014100000000, 0.0003851000000000 ] - [ 0.0000131600000000, 0.0003091400000000, -0.0000932400000000 ] - [ 0.0001558800000000, -0.0009789800000000, -0.0004785300000000 ] - [ 0.0000316500000000, -0.0001068100000000, -0.0000638800000000 ] - [ -0.0005202500000000, -0.0002561400000000, 0.0004304800000000 ] - [ 0.0000987600000000, -0.0003128000000000, 0.0000024900000000 ] - [ -0.0004032700000000, 0.0009343100000000, -0.0008321300000000 ] - [ -0.0002901900000000, -0.0005755600000000, 0.0003439400000000 ] - [ -0.0001191400000000, 0.0000981500000000, -0.0002303000000000 ] - [ -0.0008566800000000, 0.0051119300000000, 0.0002843100000000 ] - [ 0.0002034900000000, -0.0003915700000000, 0.0000849700000000 ] - [ -0.0001370300000000, -0.0004802300000000, -0.0000213100000000 ] - [ 0.0003725600000000, -0.0006083200000000, -0.0007926200000000 ] - [ 0.0000895300000000, -0.0006236500000000, -0.0003813900000000 ] - [ 0.0006968900000000, 0.0005505500000000, 0.0001833600000000 ] - [ -0.0001170700000000, 0.0004558700000000, 0.0001674200000000 ] - [ 0.0000689200000000, -0.0001223100000000, 0.0001023900000000 ] - [ 0.0003596500000000, -0.0008196200000000, 0.0001738800000000 ] - [ -0.0004224900000000, -0.0006535000000000, -0.0002076300000000 ] - [ 0.0000730800000000, -0.0004492900000000, 0.0001925600000000 ] - [ 0.0000336300000000, -0.0000562600000000, -0.0000421200000000 ] - [ 0.0001342600000000, -0.0007535400000000, -0.0001693600000000 ] - [ 0.0006557300000000, -0.0017935400000000, -0.0003132500000000 ] - [ -0.0000553900000000, 0.0003377100000000, 0.0001226100000000 ] - [ 0.0000145500000000, -0.0000854200000000, 0.0001938500000000 ] - [ -0.0001058700000000, -0.0003163100000000, -0.0000719600000000 ] - [ -0.0003684700000000, 0.0018516700000000, -0.0004881000000000 ] - [ -0.0001407100000000, 0.0002162400000000, -0.0002087900000000 ] - [ 0.0001087700000000, -0.0001823900000000, 0.0003917600000000 ] - [ 0.0000668000000000, -0.0003486300000000, 0.0002037900000000 ] - [ -0.0001245600000000, 0.0012301300000000, 0.0001578500000000 ] - [ 0.0019440800000000, 0.0046450800000000, -0.0019080300000000 ] - [ -0.0000486100000000, -0.0013542000000000, 0.0000271300000000 ] - [ -0.0010492800000000, 0.0021357100000000, -0.0005542400000000 ] - [ 0.0000166400000000, 0.0001244700000000, 0.0001108800000000 ] - [ 0.0001387000000000, 0.0002293600000000, 0.0001479300000000 ] - [ -0.0002302800000000, 0.0002502800000000, -0.0001211100000000 ] - [ 0.0000139200000000, -0.0001232600000000, 0.0000417900000000 ] - [ 0.0000332900000000, 0.0007583700000000, 0.0003522300000000 ] - [ 0.0009280400000000, 0.0012924800000000, -0.0019871200000000 ] - [ -0.0000966500000000, -0.0002375800000000, 0.0000210700000000 ] - [ 0.0003918900000000, -0.0008271200000000, -0.0007192200000000 ] - [ 0.0001832000000000, -0.0005725500000000, 0.0002238100000000 ] - [ -0.0014026700000000, -0.0009904100000000, 0.0013411900000000 ] - [ -0.0010493200000000, -0.0022217300000000, 0.0058977000000000 ] - [ 0.0026866000000000, 0.0060784900000000, -0.0014915800000000 ] - [ 0.0005631000000000, -0.0001271400000000, 0.0000922500000000 ] - [ -0.0000773200000000, -0.0009704800000000, -0.0000739000000000 ] - [ -0.0002543000000000, -0.0010493200000000, 0.0007906600000000 ] - [ 0.0005154200000000, -0.0009158800000000, 0.0002569400000000 ] - [ 0.0284452600000000, 0.0530204700000000, 0.0454911200000000 ] - [ 0.0007914400000000, -0.0008736900000000, 0.0020149800000000 ] - [ -0.0005757800000000, 0.0010177000000000, 0.0002715300000000 ] - [ -0.0006686800000000, -0.0006382500000000, -0.0022377600000000 ] - [ 0.0003443100000000, -0.0006041400000000, -0.0009661500000000 ] - [ -0.0000227100000000, -0.0011012400000000, -0.0002012300000000 ] - [ 0.0014824600000000, -0.0003407300000000, -0.0006821300000000 ] - [ -0.0063007900000000, -0.0083357000000000, 0.0027443400000000 ] - [ -0.0002360900000000, -0.0006140200000000, 0.0001184100000000 ] - [ 0.0001935600000000, 0.0004505100000000, 0.0000716800000000 ] - [ -0.0001010100000000, 0.0005456100000000, 0.0002609000000000 ] - [ -0.0004795200000000, -0.0028911600000000, 0.0010263300000000 ] - [ -0.0329669800000000, -0.0652377300000000, -0.0533971700000000 ] - [ 0.0000075100000000, 0.0000254500000000, -0.0002395900000000 ] - [ 0.0000565700000000, -0.0000799600000000, 0.0025811100000000 ] - [ -0.0000953800000000, 0.0008245600000000, -0.0001606900000000 ] - [ -0.0013172400000000, -0.0077770300000000, 0.0113911000000000 ] - [ -0.0005076000000000, 0.0020123600000000, -0.0028010600000000 ] - [ -0.0010521200000000, 0.0011302300000000, -0.0016167500000000 ] - [ 0.0001637500000000, -0.0003415700000000, -0.0003367400000000 ] - [ 0.0004747800000000, -0.0001185200000000, 0.0006036500000000 ] - [ 0.0005888100000000, 0.0011776400000000, 0.0017376500000000 ] - [ 0.0006289600000000, 0.0028710700000000, -0.0008503200000000 ] - [ 0.0001103900000000, -0.0004487100000000, -0.0001651800000000 ] - [ -0.0000051900000000, 0.0006336500000000, 0.0000878500000000 ] - [ 0.0002184200000000, 0.0008339200000000, -0.0006655100000000 ] - [ -0.0000799500000000, 0.0005825100000000, -0.0003016800000000 ] - [ -0.0005841400000000, -0.0003523100000000, -0.0008471500000000 ] - [ -0.0002613600000000, 0.0005461400000000, 0.0008670200000000 ] - [ -0.0000450700000000, -0.0002702600000000, -0.0000611200000000 ] - [ -0.0000665500000000, 0.0011119000000000, -0.0004553600000000 ] - [ 0.0000091000000000, 0.0009487000000000, -0.0001355400000000 ] - [ 0.0000420600000000, 0.0002828500000000, -0.0001504200000000 ] - [ -0.0017166000000000, 0.0011886500000000, -0.0020156900000000 ] - [ -0.0002943600000000, 0.0002416500000000, 0.0002549800000000 ] - [ -0.0000277000000000, 0.0006276400000000, -0.0001425000000000 ] - [ -0.0002375500000000, 0.0001080800000000, -0.0002741800000000 ] - [ -0.0003111900000000, 0.0005293100000000, -0.0000821600000000 ] - [ 0.0013766400000000, -0.0002943900000000, -0.0000266100000000 ] - [ -0.0002289000000000, 0.0007606800000000, -0.0010179800000000 ] - [ -0.0005280900000000, 0.0004959400000000, 0.0004198800000000 ] - [ 0.0001512500000000, -0.0002221600000000, -0.0000633300000000 ] - [ -0.0002370400000000, 0.0000343100000000, -0.0001105800000000 ] - [ -0.0002432000000000, -0.0003720200000000, 0.0001000500000000 ] - [ 0.0004804400000000, -0.0002140300000000, -0.0008289900000000 ] - [ -0.0003158600000000, -0.0003855800000000, -0.0000973700000000 ] - [ -0.0005957300000000, -0.0016679000000000, 0.0008115300000000 ] - [ 0.0193292500000000, 0.0086754300000000, 0.0096344300000000 ] - [ 0.0001013900000000, -0.0004230300000000, 0.0001616100000000 ] - [ 0.0022645400000000, 0.0009007400000000, -0.0018124800000000 ] - [ -0.0025899000000000, 0.0004466600000000, 0.0004169100000000 ] - [ 0.0003896100000000, 0.0015860400000000, 0.0002873200000000 ] - [ 0.0002752300000000, 0.0003677200000000, 0.0001733700000000 ] - [ 0.0001366600000000, 0.0002766900000000, 0.0000747400000000 ] - [ 0.0000169700000000, 0.0007928400000000, -0.0000167000000000 ] - [ -0.0000009900000000, 0.0002812100000000, 0.0000917000000000 ] - [ -0.0001837300000000, -0.0001464600000000, 0.0004413000000000 ] - [ -0.0098901300000000, -0.0015867300000000, -0.0128331900000000 ] - [ 0.0001820900000000, -0.0002106700000000, 0.0000759600000000 ] - [ -0.0002088000000000, 0.0007978300000000, -0.0001576200000000 ] - [ -0.0003883900000000, 0.0005467800000000, 0.0001483600000000 ] - [ 0.0000554700000000, 0.0003389000000000, 0.0003714800000000 ] - [ -0.0001084300000000, 0.0003066000000000, 0.0000093400000000 ] - [ 0.0000872900000000, 0.0007314200000000, -0.0003187300000000 ] - [ 0.0001319400000000, 0.0001218000000000, -0.0000288900000000 ] - [ 0.0023117100000000, 0.0022397900000000, 0.0015635900000000 ] - [ 0.0000289800000000, -0.0007065500000000, 0.0002949500000000 ] - [ -0.0000629900000000, -0.0006738800000000, -0.0001018900000000 ] - [ 0.0007103500000000, 0.0003185200000000, -0.0000636600000000 ] - [ 0.0001568300000000, 0.0003559400000000, -0.0002160100000000 ] - [ -0.0000319300000000, 0.0005735200000000, 0.0002869700000000 ] - [ 0.0018360100000000, -0.0026317700000000, -0.0011006600000000 ] - [ -0.0001331900000000, 0.0004255200000000, 0.0002195200000000 ] - [ -0.0007063500000000, -0.0009414800000000, 0.0013165800000000 ] - [ -0.0008144100000000, 0.0010851400000000, -0.0002885100000000 ] - [ -0.0004604800000000, -0.0019415600000000, -0.0007770200000000 ] - [ -0.0002704100000000, -0.0004153500000000, -0.0001399700000000 ] - [ 0.0003421300000000, -0.0012729500000000, 0.0000251300000000 ] - [ 0.0001075600000000, 0.0006318700000000, 0.0005024500000000 ] - [ -0.0000912800000000, -0.0002922200000000, 0.0001697400000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000343600000000, -0.0003049900000000, -0.0001408700000000 ] - [ -0.0001930900000000, -0.0000703600000000, 0.0002354400000000 ] - [ 0.0006488500000000, -0.0025791200000000, -0.0003722100000000 ] - [ -0.0002090300000000, -0.0000908900000000, 0.0000673100000000 ] - [ -0.0003507500000000, 0.0007656700000000, 0.0005098200000000 ] - [ 0.0000015300000000, 0.0003194900000000, 0.0000549100000000 ] - [ 0.0002423200000000, 0.0000885600000000, -0.0007376600000000 ] - [ 0.0000485800000000, 0.0002191300000000, -0.0001636800000000 ] - [ 0.0002165000000000, -0.0007144600000000, 0.0008637100000000 ] - [ 0.0002751700000000, 0.0005252300000000, -0.0004581800000000 ] - [ 0.0001332100000000, -0.0001473300000000, 0.0001161200000000 ] - [ 0.0010342300000000, -0.0054168000000000, -0.0002720900000000 ] - [ -0.0002155500000000, 0.0003432000000000, 0.0000301600000000 ] - [ 0.0002856300000000, 0.0003869800000000, 0.0001837500000000 ] - [ -0.0000987300000000, 0.0004529400000000, 0.0004878000000000 ] - [ -0.0001033500000000, 0.0006729400000000, 0.0002644500000000 ] - [ -0.0008355500000000, -0.0006466800000000, -0.0000231400000000 ] - [ 0.0000827500000000, -0.0002427100000000, -0.0001753200000000 ] - [ 0.0001240500000000, 0.0003386000000000, -0.0000756400000000 ] - [ -0.0003929600000000, 0.0006047700000000, -0.0001877700000000 ] - [ 0.0002313900000000, 0.0004381500000000, 0.0001818200000000 ] - [ 0.0002031500000000, 0.0006137000000000, 0.0001126100000000 ] - [ 0.0002433800000000, -0.0001071200000000, 0.0003478000000000 ] - [ 0.0001420800000000, 0.0009175800000000, -0.0001347000000000 ] - [ -0.0005054500000000, 0.0018779200000000, 0.0001471500000000 ] - [ 0.0000679900000000, -0.0002917200000000, -0.0002407100000000 ] - [ 0.0001334900000000, 0.0001787000000000, -0.0000300400000000 ] - [ 0.0000723800000000, 0.0001021900000000, 0.0000837600000000 ] - [ 0.0000886100000000, -0.0016899700000000, 0.0001801900000000 ] - [ -0.0000083000000000, -0.0003120900000000, 0.0000497400000000 ] - [ -0.0003831100000000, 0.0000166700000000, -0.0000848900000000 ] - [ 0.0001247700000000, 0.0005634200000000, -0.0002305800000000 ] - [ -0.0001503800000000, -0.0010685400000000, 0.0001448400000000 ] - [ -0.0016720500000000, -0.0047573500000000, 0.0017204400000000 ] - [ 0.0000811100000000, 0.0015701500000000, -0.0000195700000000 ] - [ 0.0007980500000000, -0.0021677600000000, 0.0004049400000000 ] - [ 0.0000168600000000, -0.0003368100000000, -0.0000957100000000 ] - [ 0.0000550300000000, -0.0004467400000000, -0.0001201300000000 ] - [ 0.0002645400000000, -0.0004638900000000, 0.0001097600000000 ] - [ -0.0000272100000000, 0.0001714300000000, 0.0000749600000000 ] - [ -0.0001303700000000, -0.0003241000000000, 0.0002865300000000 ] - [ -0.0010329500000000, -0.0017783600000000, 0.0015963300000000 ] - [ 0.0001997100000000, 0.0007205200000000, 0.0003805100000000 ] - [ -0.0002934200000000, 0.0013105400000000, 0.0003197600000000 ] - [ -0.0000847000000000, 0.0010070000000000, 0.0004157000000000 ] - [ 0.0010939900000000, 0.0010561400000000, -0.0010666800000000 ] - [ 0.0009024500000000, 0.0026170500000000, -0.0062838100000000 ] - [ -0.0024196100000000, -0.0061891700000000, 0.0012545600000000 ] - [ -0.0004641200000000, -0.0003069400000000, -0.0007228800000000 ] - [ -0.0002331000000000, 0.0009082100000000, -0.0002079000000000 ] - [ 0.0001607800000000, 0.0006174100000000, -0.0001602600000000 ] - [ -0.0004118700000000, 0.0004335200000000, -0.0006533200000000 ] - [ -0.0288925200000000, -0.0533510200000000, -0.0466512200000000 ] - [ -0.0010990000000000, 0.0009350100000000, -0.0022874200000000 ] - [ 0.0004806100000000, -0.0015058400000000, 0.0001253900000000 ] - [ 0.0009790100000000, 0.0007014600000000, 0.0019710100000000 ] - [ -0.0004439000000000, 0.0001691500000000, 0.0003368300000000 ] - [ 0.0001212400000000, 0.0015379800000000, -0.0004385800000000 ] - [ -0.0011774900000000, 0.0004055400000000, 0.0009645000000000 ] - [ 0.0064165800000000, 0.0079193600000000, -0.0021209200000000 ] - [ -0.0000725700000000, 0.0005502200000000, 0.0001611300000000 ] - [ 0.0001186100000000, -0.0005150400000000, 0.0002092000000000 ] - [ 0.0000011700000000, -0.0000654000000000, 0.0001391200000000 ] - [ 0.0005777000000000, 0.0024122800000000, -0.0006313200000000 ] - [ 0.0332902700000000, 0.0662169100000000, 0.0538110100000000 ] - [ -0.0003038000000000, 0.0002514800000000, 0.0000209700000000 ] - [ 0.0000596800000000, 0.0001666100000000, -0.0019554300000000 ] - [ -0.0001129100000000, -0.0009938500000000, -0.0001480300000000 ] - [ 0.0013570400000000, 0.0076734200000000, -0.0113584300000000 ] - [ 0.0003681900000000, -0.0025392200000000, 0.0025607100000000 ] - [ 0.0007537600000000, -0.0008319400000000, 0.0018248900000000 ] - [ -0.0000502200000000, 0.0002587200000000, -0.0002988100000000 ] - [ -0.0007815700000000, 0.0000737400000000, -0.0007892800000000 ] - [ -0.0004823000000000, -0.0014015600000000, -0.0012587100000000 ] - [ -0.0008066000000000, -0.0031028800000000, 0.0008450900000000 ] - [ -0.0000045900000000, 0.0006664700000000, -0.0003206800000000 ] - [ -0.0001753000000000, -0.0004117700000000, -0.0001012100000000 ] - [ -0.0003325400000000, -0.0007518600000000, 0.0000323100000000 ] - [ -0.0000295800000000, -0.0003637400000000, -0.0001836500000000 ] - [ 0.0005409900000000, 0.0003964000000000, 0.0009241000000000 ] - [ 0.0003041600000000, -0.0005013500000000, -0.0007906700000000 ] - [ 0.0000842700000000, 0.0002242000000000, -0.0000239000000000 ] - [ 0.0003655800000000, -0.0013894400000000, 0.0002387400000000 ] - [ -0.0001896900000000, -0.0007277900000000, 0.0001494100000000 ] - [ 0.0001634700000000, -0.0001147100000000, 0.0004613700000000 ] - [ 0.0015998200000000, -0.0014057800000000, 0.0024956700000000 ] - [ 0.0004038200000000, -0.0004630600000000, -0.0007454500000000 ] - [ -0.0000120700000000, -0.0006730000000000, 0.0002284200000000 ] - [ 0.0000301500000000, 0.0000576800000000, -0.0000372000000000 ] - [ 0.0003525800000000, -0.0004866100000000, 0.0000012200000000 ] - [ -0.0012065300000000, 0.0000709800000000, 0.0000172800000000 ] - [ 0.0005333500000000, -0.0008044500000000, 0.0008330300000000 ] - [ 0.0006851000000000, -0.0010335200000000, -0.0006837900000000 ] - [ 0.0000291900000000, 0.0004451200000000, 0.0000504900000000 ] - [ 0.0000572500000000, -0.0002597100000000, 0.0001197200000000 ] - [ -0.0000639600000000, 0.0004168500000000, 0.0000785400000000 ] - [ -0.0005879100000000, -0.0000057800000000, 0.0003437200000000 ] - [ 0.0003150200000000, 0.0003840200000000, 0.0000952500000000 ] - [ 0.0002988800000000, 0.0013940400000000, -0.0005933300000000 ] - [ -0.0191689300000000, -0.0086942500000000, -0.0095385700000000 ] - [ 0.0001049100000000, 0.0002549400000000, 0.0001469900000000 ] - [ -0.0023083900000000, -0.0008577300000000, 0.0017349600000000 ] - [ 0.0022995500000000, -0.0004919700000000, -0.0002323100000000 ] - [ -0.0002320200000000, -0.0010549400000000, -0.0000204900000000 ] - [ 0.0000197800000000, -0.0000949700000000, -0.0003942600000000 ] - [ 0.0001669900000000, -0.0002323200000000, 0.0001060600000000 ] - [ 0.0002885900000000, -0.0007501100000000, -0.0001618800000000 ] - [ 0.0002947700000000, -0.0005569900000000, 0.0001265200000000 ] - [ 0.0003647900000000, -0.0000776300000000, -0.0004334300000000 ] - [ 0.0100918000000000, 0.0018975100000000, 0.0128063600000000 ] - [ -0.0000263400000000, -0.0003219900000000, 0.0001859500000000 ] - [ 0.0002068800000000, -0.0007997800000000, 0.0001599500000000 ] - [ 0.0003890400000000, -0.0005477700000000, -0.0001502800000000 ] - [ 0.0002431100000000, -0.0000635200000000, -0.0001544700000000 ] - [ 0.0000672400000000, -0.0003533900000000, -0.0000926300000000 ] - [ 0.0000685000000000, -0.0002004800000000, 0.0000527900000000 ] - [ 0.0000759900000000, 0.0000464800000000, -0.0002836500000000 ] - [ -0.0025219200000000, -0.0020738500000000, -0.0012507400000000 ] - [ -0.0001858800000000, 0.0012395300000000, -0.0005646700000000 ] - [ -0.0000972500000000, 0.0012074300000000, 0.0003703900000000 ] - [ -0.0004082000000000, -0.0003652900000000, 0.0002457000000000 ] - [ -0.0002729800000000, -0.0004411400000000, -0.0004185400000000 ] - [ -0.0000758400000000, -0.0003529600000000, 0.0002027800000000 ] - [ -0.0017115300000000, 0.0025634600000000, 0.0017250000000000 ] - [ -0.0000745100000000, -0.0005937400000000, 0.0000864300000000 ] - [ 0.0008237800000000, 0.0011647500000000, -0.0008468700000000 ] - [ 0.0006966000000000, -0.0009993200000000, 0.0009204800000000 ] - [ 0.0001733800000000, 0.0019968800000000, 0.0005950400000000 ] - [ 0.0003860700000000, 0.0005010300000000, -0.0004952500000000 ] - [ -0.0006427200000000, 0.0010001600000000, -0.0002433400000000 ] - [ -0.0002221500000000, -0.0007184700000000, 0.0001327700000000 ] - [ -0.0000668600000000, -0.0002417900000000, 0.0000950300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002588700000000, 0.0002126500000000, -0.0014993500000000 ] - [ 0.0002812500000000, -0.0000471400000000, -0.0003600600000000 ] - [ -0.0003264300000000, 0.0004381400000000, 0.0034707600000000 ] - [ 0.0005542200000000, -0.0002863200000000, -0.0005048000000000 ] - [ 0.0001399500000000, -0.0004999200000000, -0.0001217700000000 ] - [ 0.0000045300000000, 0.0001137300000000, -0.0002178000000000 ] - [ 0.0003295800000000, 0.0006770200000000, -0.0003905300000000 ] - [ 0.0001445400000000, -0.0000308200000000, -0.0006231500000000 ] - [ -0.0014079000000000, -0.0004670100000000, -0.0011822700000000 ] - [ 0.0005445100000000, 0.0006899100000000, -0.0005698100000000 ] - [ -0.0002969200000000, -0.0001459100000000, -0.0003201500000000 ] - [ 0.0003277500000000, 0.0011071600000000, 0.0037582500000000 ] - [ -0.0002445700000000, 0.0000875900000000, 0.0005112100000000 ] - [ -0.0000296800000000, -0.0001465900000000, 0.0002454700000000 ] - [ 0.0006176700000000, -0.0020083800000000, -0.0008456000000000 ] - [ -0.0000955200000000, -0.0002731400000000, 0.0000087100000000 ] - [ -0.0014685700000000, 0.0002508900000000, 0.0006936800000000 ] - [ 0.0003521500000000, 0.0002060500000000, -0.0007733200000000 ] - [ 0.0001104400000000, 0.0001846200000000, -0.0000225500000000 ] - [ -0.0002118600000000, 0.0001760500000000, 0.0005144400000000 ] - [ -0.0002900600000000, -0.0002567900000000, 0.0001561900000000 ] - [ 0.0001121800000000, 0.0000595300000000, 0.0002847900000000 ] - [ 0.0000426700000000, -0.0002566600000000, -0.0000946900000000 ] - [ 0.0001476500000000, 0.0001936600000000, -0.0000779500000000 ] - [ 0.0001151400000000, 0.0002713700000000, 0.0009840500000000 ] - [ 0.0003802100000000, 0.0002432200000000, 0.0001366800000000 ] - [ 0.0000873600000000, 0.0001135800000000, -0.0001351100000000 ] - [ -0.0000504400000000, -0.0000771100000000, -0.0004499800000000 ] - [ -0.0026860100000000, -0.0002021200000000, -0.0024315400000000 ] - [ -0.0001127000000000, 0.0001572300000000, -0.0012621600000000 ] - [ -0.0004973900000000, 0.0001367900000000, -0.0002702300000000 ] - [ 0.0001600800000000, 0.0004131900000000, -0.0004251600000000 ] - [ 0.0008979700000000, 0.0000894200000000, 0.0006913900000000 ] - [ -0.0018388000000000, -0.0026020800000000, 0.0050684900000000 ] - [ 0.0000886700000000, 0.0001527600000000, 0.0006874700000000 ] - [ -0.0000285500000000, 0.0000308400000000, 0.0024653500000000 ] - [ -0.0000991600000000, -0.0001833100000000, -0.0014239300000000 ] - [ -0.0002203200000000, 0.0000011900000000, 0.0000270800000000 ] - [ -0.0001992100000000, -0.0001602600000000, 0.0003558200000000 ] - [ 0.0000142200000000, -0.0000232700000000, -0.0002486300000000 ] - [ -0.0001982600000000, 0.0000494000000000, -0.0008314600000000 ] - [ 0.0002400000000000, -0.0012659600000000, -0.0039422600000000 ] - [ -0.0004656100000000, -0.0001219300000000, -0.0008831700000000 ] - [ 0.0003327800000000, -0.0000960200000000, 0.0000988900000000 ] - [ 0.0001969500000000, 0.0000474200000000, -0.0005361400000000 ] - [ -0.0000818100000000, 0.0000719300000000, 0.0014840100000000 ] - [ 0.0023738800000000, 0.0108345500000000, -0.0036143100000000 ] - [ 0.0091508700000000, 0.0086455500000000, -0.0097536300000000 ] - [ -0.0005312000000000, -0.0000173400000000, -0.0021959800000000 ] - [ 0.0000788100000000, -0.0003486300000000, -0.0001662700000000 ] - [ -0.0002664600000000, -0.0002798500000000, 0.0013610700000000 ] - [ -0.0006206000000000, 0.0002017600000000, -0.0008852900000000 ] - [ 0.1250704500000000, 0.0479016900000000, 0.2437236800000000 ] - [ -0.0014580200000000, 0.0013648900000000, -0.0021977800000000 ] - [ -0.0008362400000000, -0.0003967400000000, 0.0015941900000000 ] - [ -0.0012261200000000, -0.0025933500000000, -0.0008697300000000 ] - [ -0.0002079700000000, -0.0008952300000000, -0.0021733300000000 ] - [ 0.0000470900000000, 0.0001224300000000, 0.0005134800000000 ] - [ 0.0006077700000000, -0.0003710300000000, 0.0003295900000000 ] - [ -0.0037653600000000, -0.0056608300000000, 0.0042937800000000 ] - [ -0.0002327500000000, -0.0001039200000000, -0.0003292100000000 ] - [ -0.0002805700000000, 0.0000306200000000, -0.0008084900000000 ] - [ 0.0000102000000000, 0.0002865900000000, -0.0006941800000000 ] - [ 0.0001527600000000, -0.0005598700000000, 0.0015287700000000 ] - [ -0.1460332300000000, -0.0554796500000000, -0.2847308500000000 ] - [ -0.0004404000000000, -0.0000039200000000, 0.0004491900000000 ] - [ 0.0002624100000000, 0.0021956600000000, 0.0024876900000000 ] - [ -0.0000472600000000, -0.0000903300000000, -0.0006822300000000 ] - [ -0.0006014300000000, 0.0049692700000000, 0.0270525800000000 ] - [ -0.0011076800000000, -0.0033469500000000, -0.0020597600000000 ] - [ 0.0009279600000000, -0.0027178500000000, 0.0018247700000000 ] - [ 0.0002924700000000, -0.0002218000000000, 0.0001308100000000 ] - [ 0.0005545100000000, 0.0007013700000000, 0.0005228800000000 ] - [ 0.0005562900000000, 0.0008541700000000, -0.0000316400000000 ] - [ -0.0002325300000000, 0.0014336600000000, -0.0016057300000000 ] - [ 0.0005208900000000, 0.0000450500000000, 0.0002468000000000 ] - [ -0.0000712200000000, 0.0004138700000000, 0.0005982500000000 ] - [ -0.0000566400000000, -0.0000944300000000, -0.0009440600000000 ] - [ 0.0000606700000000, -0.0000217300000000, -0.0000566900000000 ] - [ 0.0008127400000000, -0.0003689500000000, 0.0015528000000000 ] - [ -0.0001814900000000, 0.0007877900000000, 0.0010333400000000 ] - [ 0.0003090600000000, 0.0000940500000000, 0.0007570600000000 ] - [ -0.0001314700000000, -0.0001543000000000, -0.0007804400000000 ] - [ -0.0001196300000000, 0.0003763000000000, -0.0003685500000000 ] - [ 0.0004095500000000, -0.0002234700000000, -0.0003452000000000 ] - [ 0.0019537200000000, -0.0027416200000000, 0.0010556900000000 ] - [ -0.0000883500000000, 0.0000055900000000, -0.0002579400000000 ] - [ -0.0002447800000000, -0.0000706500000000, -0.0003645800000000 ] - [ -0.0002182700000000, 0.0002030800000000, 0.0009573400000000 ] - [ -0.0002472500000000, 0.0002348200000000, -0.0005814000000000 ] - [ 0.0003565700000000, 0.0001616300000000, -0.0006515900000000 ] - [ 0.0007942000000000, -0.0010866500000000, 0.0012234200000000 ] - [ -0.0002934500000000, -0.0000046100000000, -0.0007627500000000 ] - [ 0.0000697500000000, 0.0003189700000000, 0.0005853800000000 ] - [ 0.0001305000000000, -0.0001428400000000, 0.0005236900000000 ] - [ 0.0001600600000000, -0.0000251500000000, 0.0008680800000000 ] - [ -0.0005911700000000, -0.0005001300000000, -0.0006908400000000 ] - [ 0.0002941700000000, 0.0002044500000000, 0.0006169700000000 ] - [ -0.0014367500000000, 0.0008830900000000, 0.0023788800000000 ] - [ 0.0097757700000000, 0.0085248500000000, -0.0034785400000000 ] - [ -0.0000111800000000, -0.0000910300000000, 0.0007078000000000 ] - [ 0.0008819900000000, 0.0003395000000000, -0.0024656800000000 ] - [ -0.0012719700000000, 0.0002282000000000, -0.0005082800000000 ] - [ 0.0000101600000000, 0.0002972700000000, -0.0004411300000000 ] - [ 0.0005861500000000, 0.0006822600000000, 0.0008366400000000 ] - [ 0.0002417000000000, 0.0000435200000000, 0.0003776000000000 ] - [ 0.0000075500000000, 0.0002956100000000, -0.0002866700000000 ] - [ 0.0004073700000000, -0.0002594600000000, 0.0001703300000000 ] - [ -0.0000910300000000, 0.0010496700000000, 0.0015281600000000 ] - [ 0.0128556800000000, -0.0088420600000000, 0.0100095200000000 ] - [ 0.0002305600000000, -0.0003568700000000, 0.0009273700000000 ] - [ 0.0000251000000000, 0.0000830500000000, -0.0003531000000000 ] - [ -0.0002017000000000, 0.0003788400000000, 0.0005055100000000 ] - [ 0.0000973400000000, 0.0003323200000000, 0.0000503600000000 ] - [ -0.0001714700000000, -0.0000410000000000, 0.0004812400000000 ] - [ 0.0001639000000000, 0.0000779200000000, 0.0003406900000000 ] - [ 0.0002671500000000, -0.0000458000000000, 0.0010070200000000 ] - [ 0.0011603000000000, 0.0014835800000000, -0.0001295300000000 ] - [ 0.0000715700000000, 0.0002696400000000, 0.0020113300000000 ] - [ 0.0004377600000000, 0.0001394900000000, -0.0009245300000000 ] - [ 0.0002118100000000, -0.0000237800000000, -0.0004394300000000 ] - [ 0.0000319200000000, 0.0000698300000000, 0.0000136500000000 ] - [ -0.0001645800000000, 0.0000045200000000, 0.0005604100000000 ] - [ -0.0004495600000000, -0.0033945500000000, 0.0022974500000000 ] - [ -0.0001933400000000, -0.0001495100000000, 0.0006011000000000 ] - [ -0.0019633400000000, -0.0003149100000000, 0.0051050600000000 ] - [ 0.0010248500000000, -0.0011146700000000, 0.0008970600000000 ] - [ -0.0041024100000000, -0.0016017400000000, 0.0005202600000000 ] - [ 0.0000079500000000, 0.0001653100000000, -0.0005773300000000 ] - [ 0.0012122500000000, 0.0001158200000000, -0.0010964400000000 ] - [ -0.0003924800000000, 0.0002419100000000, 0.0002181000000000 ] - [ -0.0001986600000000, -0.0003614500000000, 0.0007270600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002692600000000, -0.0001628900000000, 0.0016162500000000 ] - [ -0.0004308300000000, 0.0001415200000000, 0.0005228800000000 ] - [ 0.0002936100000000, -0.0002249800000000, -0.0034674000000000 ] - [ -0.0007439700000000, 0.0005021600000000, 0.0004791000000000 ] - [ -0.0003331900000000, 0.0002820900000000, 0.0001469700000000 ] - [ 0.0000287300000000, 0.0000993800000000, 0.0002076400000000 ] - [ -0.0006063100000000, -0.0008392600000000, 0.0000879900000000 ] - [ 0.0000034300000000, -0.0000641700000000, 0.0004610700000000 ] - [ 0.0012076200000000, 0.0006806700000000, 0.0012164500000000 ] - [ -0.0005612400000000, -0.0007431000000000, 0.0004553400000000 ] - [ 0.0003121700000000, 0.0000984600000000, 0.0002034300000000 ] - [ -0.0002997600000000, -0.0011838500000000, -0.0036516400000000 ] - [ 0.0002310900000000, -0.0001347700000000, -0.0003971000000000 ] - [ 0.0001790700000000, 0.0000542600000000, -0.0000814300000000 ] - [ -0.0003401900000000, 0.0018349900000000, 0.0005419200000000 ] - [ 0.0000801300000000, 0.0003230000000000, -0.0001211900000000 ] - [ 0.0013223500000000, -0.0003463700000000, -0.0005282100000000 ] - [ -0.0003882200000000, 0.0000068900000000, 0.0007646000000000 ] - [ 0.0000826200000000, 0.0000324700000000, 0.0000513300000000 ] - [ 0.0001790100000000, -0.0003891900000000, -0.0005237100000000 ] - [ 0.0000968200000000, 0.0000397000000000, -0.0001852800000000 ] - [ 0.0001642100000000, 0.0001042700000000, 0.0000196400000000 ] - [ 0.0002338200000000, 0.0000922700000000, 0.0004022000000000 ] - [ 0.0001280400000000, -0.0000308800000000, -0.0002284500000000 ] - [ 0.0000307900000000, -0.0001714500000000, -0.0011472700000000 ] - [ -0.0003666600000000, -0.0001953300000000, -0.0002497500000000 ] - [ 0.0000601800000000, -0.0000205400000000, 0.0002981500000000 ] - [ 0.0000173200000000, -0.0001353300000000, 0.0004611300000000 ] - [ 0.0024154600000000, 0.0003641400000000, 0.0021210200000000 ] - [ -0.0000343300000000, -0.0002492300000000, 0.0011009000000000 ] - [ 0.0002212200000000, -0.0003002300000000, 0.0005771200000000 ] - [ 0.0000318100000000, -0.0001963200000000, 0.0004001000000000 ] - [ -0.0011753100000000, 0.0000747900000000, -0.0003909000000000 ] - [ 0.0021533300000000, 0.0025796200000000, -0.0052899500000000 ] - [ -0.0000559400000000, 0.0000585300000000, -0.0006772000000000 ] - [ -0.0001258500000000, 0.0000636300000000, -0.0026369900000000 ] - [ 0.0001318700000000, -0.0000319100000000, 0.0014350000000000 ] - [ 0.0004143000000000, -0.0002186800000000, -0.0000018100000000 ] - [ 0.0002334400000000, -0.0000535100000000, -0.0003644100000000 ] - [ -0.0000267100000000, 0.0000709200000000, 0.0003658600000000 ] - [ 0.0001034600000000, 0.0003854100000000, 0.0014672700000000 ] - [ -0.0003512600000000, 0.0007921700000000, 0.0035545800000000 ] - [ 0.0005640600000000, 0.0006010900000000, 0.0012841900000000 ] - [ -0.0002333300000000, 0.0005812500000000, -0.0004909200000000 ] - [ -0.0001013700000000, 0.0003867400000000, 0.0011725600000000 ] - [ -0.0002251400000000, -0.0000051200000000, -0.0012174900000000 ] - [ -0.0024833700000000, -0.0103435100000000, 0.0032335800000000 ] - [ -0.0087861100000000, -0.0086405900000000, 0.0094318400000000 ] - [ 0.0006329100000000, -0.0004189600000000, 0.0015615600000000 ] - [ -0.0003883100000000, 0.0002834100000000, -0.0001099600000000 ] - [ 0.0001666300000000, -0.0001563600000000, -0.0007224000000000 ] - [ 0.0007243100000000, -0.0006863600000000, 0.0004846400000000 ] - [ -0.1167981100000000, -0.0442219700000000, -0.2336926000000000 ] - [ 0.0011543700000000, -0.0013038400000000, 0.0019122300000000 ] - [ 0.0007350600000000, -0.0000845500000000, -0.0011990800000000 ] - [ 0.0015400200000000, 0.0026736900000000, 0.0005850400000000 ] - [ 0.0001086100000000, 0.0004659100000000, 0.0015390100000000 ] - [ 0.0000506200000000, 0.0003111300000000, -0.0011462900000000 ] - [ -0.0002957700000000, 0.0004338800000000, -0.0000534100000000 ] - [ 0.0039152200000000, 0.0052904400000000, -0.0036915600000000 ] - [ -0.0000772600000000, 0.0000396200000000, 0.0006109300000000 ] - [ 0.0005898300000000, -0.0000949000000000, 0.0010906300000000 ] - [ -0.0001088700000000, 0.0001970000000000, 0.0010935700000000 ] - [ -0.0000501800000000, 0.0000854600000000, -0.0011396300000000 ] - [ 0.1375893800000000, 0.0517954400000000, 0.2735888200000000 ] - [ 0.0001432400000000, 0.0002784400000000, -0.0006681100000000 ] - [ -0.0001456700000000, -0.0021282700000000, -0.0018598500000000 ] - [ -0.0001587500000000, -0.0000781000000000, 0.0003721300000000 ] - [ 0.0006609900000000, -0.0048333400000000, -0.0264993100000000 ] - [ 0.0009473300000000, 0.0028196700000000, 0.0017803100000000 ] - [ -0.0012233700000000, 0.0029918700000000, -0.0016094400000000 ] - [ -0.0001784700000000, 0.0001375900000000, -0.0007671600000000 ] - [ -0.0008621000000000, -0.0007521300000000, -0.0007024800000000 ] - [ -0.0004479300000000, -0.0010758100000000, 0.0005282100000000 ] - [ 0.0000501600000000, -0.0016742700000000, 0.0016043800000000 ] - [ -0.0004127700000000, 0.0001741800000000, -0.0007344100000000 ] - [ -0.0001079100000000, -0.0001892800000000, -0.0006100500000000 ] - [ -0.0000586500000000, 0.0001786000000000, 0.0003143700000000 ] - [ -0.0001697100000000, 0.0002401200000000, -0.0004306600000000 ] - [ -0.0008553900000000, 0.0004180100000000, -0.0014691000000000 ] - [ 0.0002221400000000, -0.0007467200000000, -0.0009501600000000 ] - [ -0.0002698100000000, -0.0001391000000000, -0.0008411000000000 ] - [ 0.0004294800000000, -0.0001224800000000, 0.0005674200000000 ] - [ -0.0000604200000000, -0.0001532900000000, 0.0003800000000000 ] - [ -0.0002014000000000, 0.0003906500000000, 0.0006511300000000 ] - [ -0.0020669600000000, 0.0025280500000000, -0.0005530500000000 ] - [ 0.0001955400000000, -0.0002256200000000, -0.0002277100000000 ] - [ 0.0002032900000000, 0.0000274100000000, 0.0004458900000000 ] - [ 0.0000080200000000, -0.0000343200000000, -0.0012651700000000 ] - [ 0.0002870900000000, -0.0001891500000000, 0.0004995700000000 ] - [ -0.0001726100000000, -0.0003853000000000, 0.0006402500000000 ] - [ -0.0004937400000000, 0.0010459100000000, -0.0014046900000000 ] - [ 0.0004509200000000, -0.0005361000000000, 0.0004900300000000 ] - [ 0.0001088400000000, -0.0000964800000000, -0.0005972000000000 ] - [ -0.0003111500000000, -0.0000788400000000, -0.0005110200000000 ] - [ -0.0004644300000000, 0.0000701400000000, -0.0006883000000000 ] - [ 0.0004854600000000, 0.0002820400000000, 0.0002102700000000 ] - [ -0.0002962900000000, -0.0002049000000000, -0.0006171400000000 ] - [ 0.0011506800000000, -0.0011639700000000, -0.0021614700000000 ] - [ -0.0098462100000000, -0.0086040100000000, 0.0033723500000000 ] - [ 0.0002171600000000, -0.0000770300000000, -0.0003962400000000 ] - [ -0.0009330500000000, -0.0002986000000000, 0.0023994200000000 ] - [ 0.0009617500000000, -0.0002715100000000, 0.0006904800000000 ] - [ 0.0001455800000000, 0.0002326700000000, 0.0007074500000000 ] - [ -0.0002870500000000, -0.0004045000000000, -0.0010550900000000 ] - [ 0.0000627600000000, 0.0000015100000000, -0.0001965800000000 ] - [ 0.0002989600000000, -0.0002499800000000, 0.0001034900000000 ] - [ -0.0001145800000000, -0.0000145100000000, 0.0000510000000000 ] - [ 0.0002732200000000, -0.0012781700000000, -0.0015185000000000 ] - [ -0.0124992900000000, 0.0090176900000000, -0.0099844200000000 ] - [ -0.0000725500000000, -0.0001742100000000, -0.0006635900000000 ] - [ -0.0000256200000000, -0.0000824400000000, 0.0003530300000000 ] - [ 0.0002035800000000, -0.0003810500000000, -0.0005053100000000 ] - [ 0.0002006900000000, -0.0000556900000000, 0.0001632600000000 ] - [ 0.0001310400000000, -0.0000059200000000, -0.0005641400000000 ] - [ -0.0000086700000000, 0.0004540700000000, -0.0006042100000000 ] - [ -0.0000588900000000, 0.0002107000000000, -0.0013159500000000 ] - [ -0.0013863400000000, -0.0013322300000000, 0.0004302900000000 ] - [ -0.0002259200000000, 0.0002613900000000, -0.0022799400000000 ] - [ -0.0005941700000000, 0.0003946200000000, 0.0011909100000000 ] - [ 0.0000902900000000, -0.0000225000000000, 0.0006237800000000 ] - [ -0.0001456600000000, -0.0001534200000000, -0.0006507100000000 ] - [ 0.0000563800000000, 0.0002155200000000, -0.0000724700000000 ] - [ 0.0005740900000000, 0.0032878300000000, -0.0016664900000000 ] - [ -0.0000137500000000, -0.0000166800000000, -0.0002915300000000 ] - [ 0.0020573300000000, 0.0005282100000000, -0.0045917400000000 ] - [ -0.0011425700000000, 0.0012019400000000, -0.0002598600000000 ] - [ 0.0037792400000000, 0.0016360900000000, -0.0007115000000000 ] - [ 0.0001057400000000, -0.0000806600000000, -0.0000554300000000 ] - [ -0.0015121300000000, -0.0003915700000000, 0.0008872800000000 ] - [ 0.0002746100000000, -0.0003269800000000, 0.0004139300000000 ] - [ 0.0000397400000000, -0.0001740800000000, -0.0004599100000000 ]- atom: 66 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018005700000000, -0.0003485400000000, -0.0000196800000000 ] - [ -0.0018778500000000, 0.0003385600000000, 0.0013129400000000 ] - [ 0.0002501300000000, -0.0000261500000000, 0.0002723000000000 ] - [ 0.0012042200000000, -0.0003318900000000, -0.0002330300000000 ] - [ -0.0005926100000000, -0.0001799400000000, 0.0001018300000000 ] - [ -0.0000013800000000, -0.0018575900000000, 0.0009276500000000 ] - [ 0.0074820600000000, -0.0021448700000000, -0.0048252200000000 ] - [ -0.0002016500000000, 0.0004595800000000, -0.0002553800000000 ] - [ -0.0009607700000000, 0.0003424000000000, -0.0002328800000000 ] - [ -0.0002724700000000, -0.0000140700000000, -0.0000016500000000 ] - [ 0.0014714200000000, 0.0000639300000000, 0.0012354100000000 ] - [ -0.0003940100000000, -0.0000472000000000, 0.0002335000000000 ] - [ 0.0002219200000000, 0.0000486900000000, 0.0001454600000000 ] - [ 0.0001110400000000, -0.0000917700000000, -0.0000458000000000 ] - [ 0.0000217700000000, -0.0001754100000000, -0.0001748300000000 ] - [ -0.0004557700000000, 0.0001454500000000, -0.0000968200000000 ] - [ -0.0006391900000000, -0.0001137300000000, -0.0005796000000000 ] - [ -0.0006015600000000, 0.0005166300000000, 0.0003928700000000 ] - [ 0.0020707600000000, -0.0009546900000000, -0.0008460200000000 ] - [ -0.0004522600000000, -0.0002153200000000, -0.0001943900000000 ] - [ 0.0003956400000000, -0.0001805300000000, 0.0000419200000000 ] - [ 0.0001447400000000, -0.0000971000000000, 0.0003208300000000 ] - [ 0.0002051800000000, 0.0004910800000000, -0.0000002600000000 ] - [ 0.0000014900000000, 0.0002965700000000, -0.0003129400000000 ] - [ 0.0000159200000000, 0.0001356700000000, 0.0000543300000000 ] - [ 0.0033466700000000, 0.0003657200000000, -0.0018689900000000 ] - [ 0.0000846500000000, 0.0000128800000000, 0.0002179800000000 ] - [ 0.0023737400000000, 0.0004349700000000, -0.0007536100000000 ] - [ 0.0002521600000000, -0.0001152800000000, -0.0004232900000000 ] - [ -0.0006280200000000, -0.0011828900000000, -0.0015591000000000 ] - [ -0.0029432000000000, -0.0013511900000000, -0.0010459800000000 ] - [ -0.0012606800000000, 0.0005117000000000, -0.0000716200000000 ] - [ -0.0003898600000000, 0.0002035500000000, 0.0003458600000000 ] - [ -0.0001012800000000, -0.0001754100000000, 0.0000167700000000 ] - [ -0.0002214300000000, 0.0003952900000000, 0.0004081000000000 ] - [ 0.0002391200000000, -0.0001364400000000, 0.0006331100000000 ] - [ -0.0002874200000000, -0.0005557400000000, -0.0001529400000000 ] - [ 0.0003227800000000, 0.0001449400000000, 0.0003000500000000 ] - [ 0.0001970500000000, 0.0001838000000000, -0.0003346900000000 ] - [ 0.0007398400000000, 0.0002292100000000, 0.0000338700000000 ] - [ 0.0004259000000000, 0.0038923400000000, 0.0027315000000000 ] - [ -0.0015952800000000, 0.0000114300000000, -0.0010456600000000 ] - [ -0.0009036100000000, 0.0002788900000000, 0.0000555300000000 ] - [ 0.0011116200000000, 0.0007642500000000, -0.0000556900000000 ] - [ -0.0016957100000000, 0.0005150500000000, 0.0006760700000000 ] - [ -0.0003593800000000, 0.0002109100000000, 0.0004138200000000 ] - [ -0.0031078200000000, 0.0001158800000000, 0.0000340200000000 ] - [ -0.0015995200000000, -0.0019499200000000, 0.0008773200000000 ] - [ 0.0016311200000000, 0.0010139700000000, -0.0002701100000000 ] - [ 0.0000129800000000, 0.0021369500000000, 0.0013681300000000 ] - [ 0.0015236200000000, -0.0008673900000000, -0.0002490900000000 ] - [ 0.0012780100000000, 0.0003829800000000, -0.0009050200000000 ] - [ -0.0009922200000000, -0.0002088100000000, 0.0004391800000000 ] - [ 0.0000206400000000, 0.0001883100000000, -0.0000134300000000 ] - [ 0.0006829700000000, -0.0002607200000000, 0.0003673000000000 ] - [ -0.0003545100000000, -0.0001895300000000, -0.0008629500000000 ] - [ -0.0026862700000000, 0.0002065600000000, -0.0021849900000000 ] - [ 0.0018091100000000, 0.0004771900000000, 0.0009895300000000 ] - [ -0.0000153500000000, 0.0002569700000000, 0.0011400000000000 ] - [ -0.0006952700000000, -0.0004191500000000, 0.0001898200000000 ] - [ -0.0007979900000000, -0.0006565400000000, -0.0000445700000000 ] - [ -0.0064267600000000, 0.0111300000000000, 0.0001450400000000 ] - [ 0.1845515700000000, -0.0667110800000000, -0.0985705800000000 ] - [ -0.0004185800000000, -0.0001200500000000, 0.0002194200000000 ] - [ 0.0003336300000000, 0.0000728400000000, -0.0004458200000000 ] - [ -0.2260303800000000, 0.0919953700000000, 0.1280159100000000 ] - [ 0.0005086300000000, 0.0002877900000000, 0.0004484300000000 ] - [ -0.0004648000000000, -0.0002112000000000, -0.0005907800000000 ] - [ 0.0009706300000000, 0.0005983700000000, -0.0008429000000000 ] - [ 0.0016946700000000, 0.0001134100000000, -0.0009982600000000 ] - [ 0.0018268200000000, -0.0000339700000000, 0.0007776400000000 ] - [ 0.0215686700000000, -0.0205429600000000, -0.0000244200000000 ] - [ -0.0007050300000000, 0.0002313100000000, 0.0012813400000000 ] - [ 0.0001303700000000, -0.0002624800000000, 0.0004437200000000 ] - [ 0.0002085000000000, -0.0001409800000000, 0.0000164100000000 ] - [ 0.0012741900000000, -0.0027643000000000, 0.0019723900000000 ] - [ 0.0005584500000000, 0.0000569500000000, 0.0000111300000000 ] - [ 0.0002231800000000, -0.0001246800000000, -0.0004534600000000 ] - [ 0.0002726500000000, 0.0006484300000000, 0.0000665700000000 ] - [ -0.0005164900000000, -0.0000706800000000, -0.0001776000000000 ] - [ 0.0005857600000000, 0.0001153500000000, 0.0007366400000000 ] - [ -0.0003921900000000, -0.0029317400000000, -0.0018005300000000 ] - [ 0.0005255200000000, -0.0002617800000000, -0.0001310400000000 ] - [ -0.0007955900000000, -0.0001372800000000, -0.0000577000000000 ] - [ -0.0003093600000000, 0.0005317700000000, 0.0014528400000000 ] - [ -0.0001214300000000, -0.0001009800000000, 0.0001490700000000 ] - [ 0.0003651800000000, 0.0001080600000000, -0.0013867000000000 ] - [ -0.0010064400000000, -0.0014801600000000, -0.0012954000000000 ] - [ -0.0007118500000000, -0.0001345500000000, 0.0001270600000000 ] - [ -0.0003027000000000, 0.0002280200000000, -0.0001680300000000 ] - [ -0.0006050100000000, 0.0000662000000000, 0.0000632000000000 ] - [ 0.0001828800000000, -0.0000712400000000, 0.0000100200000000 ] - [ -0.0002658400000000, -0.0003312500000000, -0.0002412200000000 ] - [ -0.0044898500000000, -0.0047221100000000, -0.0034417100000000 ] - [ -0.0006300800000000, -0.0007963500000000, -0.0000472200000000 ] - [ 0.0042542700000000, -0.0018140200000000, -0.0007127800000000 ] - [ 0.0000558100000000, -0.0003114800000000, -0.0005360700000000 ] - [ -0.0017361100000000, -0.0020590400000000, -0.0004368600000000 ] - [ 0.0011482100000000, -0.0001553200000000, 0.0002799200000000 ] - [ 0.0006776600000000, 0.0005130000000000, -0.0000940200000000 ] - [ 0.0001606300000000, -0.0009928500000000, -0.0009278600000000 ] - [ 0.0002471800000000, -0.0000081900000000, -0.0001808200000000 ] - [ 0.0003626900000000, -0.0001035800000000, -0.0001776200000000 ] - [ 0.0003490600000000, 0.0003072600000000, 0.0001481400000000 ] - [ 0.0008283400000000, 0.0001302800000000, 0.0000307900000000 ] - [ 0.0001803300000000, 0.0005589300000000, 0.0002942400000000 ] - [ 0.0007311800000000, -0.0006281300000000, -0.0006826500000000 ] - [ -0.0006898200000000, 0.0000542100000000, 0.0001622900000000 ] - [ 0.0015191000000000, 0.0002455700000000, 0.0005536700000000 ] - [ 0.0009916400000000, 0.0005347800000000, -0.0003272700000000 ] - [ 0.0005735700000000, -0.0005819000000000, 0.0001995900000000 ] - [ -0.0012072600000000, 0.0006537300000000, -0.0001400000000000 ] - [ 0.0015909600000000, -0.0010573100000000, 0.0002224700000000 ] - [ -0.0005702300000000, -0.0001215100000000, 0.0002956300000000 ] - [ 0.0008344400000000, 0.0005600100000000, -0.0003164600000000 ] - [ -0.0009395400000000, -0.0012892100000000, 0.0007820300000000 ] - [ 0.0028008000000000, -0.0004108500000000, 0.0012126100000000 ] - [ 0.0002557500000000, -0.0000649200000000, 0.0004148800000000 ] - [ 0.0017261000000000, 0.0005614800000000, 0.0009247100000000 ] - [ -0.0002924600000000, 0.0002149000000000, 0.0003802000000000 ] - [ 0.0001152500000000, -0.0001362700000000, 0.0000506100000000 ] - [ 0.0005635100000000, 0.0002602200000000, -0.0003377300000000 ] - [ 0.0004702300000000, -0.0024208300000000, -0.0003837300000000 ] - [ 0.0019280400000000, 0.0007162900000000, -0.0004151000000000 ] - [ 0.0006984900000000, 0.0000104700000000, 0.0001027400000000 ] - [ 0.0007625000000000, 0.0014885600000000, -0.0001943900000000 ] - [ -0.0002844400000000, -0.0001521900000000, 0.0004482200000000 ] - [ -0.0002542100000000, 0.0019963800000000, -0.0017709700000000 ] - [ -0.0000815500000000, -0.0000984700000000, -0.0008196700000000 ] - [ -0.0008432200000000, -0.0002655800000000, -0.0003709500000000 ] - [ -0.0009682400000000, -0.0010816100000000, -0.0000770200000000 ] - [ 0.0116891000000000, -0.0002113600000000, -0.0194810500000000 ]- atom: 66 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018109200000000, 0.0003950300000000, 0.0001344900000000 ] - [ 0.0017262000000000, -0.0002457000000000, -0.0011507800000000 ] - [ -0.0002812700000000, 0.0002391900000000, -0.0002620600000000 ] - [ -0.0013933000000000, 0.0005562600000000, 0.0002030500000000 ] - [ 0.0003990300000000, -0.0000367400000000, -0.0000749000000000 ] - [ 0.0000319900000000, 0.0020690700000000, -0.0009339400000000 ] - [ -0.0074474900000000, 0.0018657700000000, 0.0042350200000000 ] - [ 0.0003507700000000, -0.0005519700000000, 0.0000915300000000 ] - [ 0.0007677200000000, -0.0001270500000000, 0.0002602200000000 ] - [ 0.0002587400000000, -0.0000341500000000, -0.0001146700000000 ] - [ -0.0014580400000000, -0.0001148600000000, -0.0013405100000000 ] - [ 0.0004066400000000, -0.0000013300000000, -0.0001159100000000 ] - [ -0.0002343400000000, -0.0000966200000000, -0.0000289800000000 ] - [ 0.0000360900000000, -0.0000031600000000, 0.0002075200000000 ] - [ 0.0002558300000000, 0.0000113300000000, -0.0001307300000000 ] - [ 0.0004409900000000, -0.0000967300000000, -0.0000193300000000 ] - [ 0.0004877600000000, 0.0000206400000000, 0.0007451400000000 ] - [ 0.0005658200000000, -0.0003034900000000, -0.0004044300000000 ] - [ -0.0018884500000000, 0.0011536200000000, 0.0008600600000000 ] - [ 0.0004167000000000, 0.0000028100000000, 0.0001844200000000 ] - [ -0.0005869700000000, -0.0000366300000000, -0.0000687900000000 ] - [ 0.0001316500000000, 0.0002610400000000, -0.0000155200000000 ] - [ 0.0000707900000000, -0.0006559600000000, 0.0003046900000000 ] - [ 0.0002756500000000, -0.0001318800000000, 0.0000077500000000 ] - [ 0.0001328500000000, -0.0000414600000000, -0.0002166200000000 ] - [ -0.0033409900000000, -0.0003101500000000, 0.0017354700000000 ] - [ 0.0000627500000000, 0.0000811800000000, -0.0000549700000000 ] - [ -0.0023665700000000, -0.0006948900000000, 0.0008098100000000 ] - [ -0.0005257400000000, 0.0002783300000000, 0.0001172900000000 ] - [ 0.0005573500000000, 0.0011351800000000, 0.0014424500000000 ] - [ 0.0026729000000000, 0.0011943200000000, 0.0013516300000000 ] - [ 0.0014484200000000, -0.0002903700000000, 0.0000429800000000 ] - [ 0.0001115700000000, -0.0000397700000000, -0.0000400100000000 ] - [ 0.0002942600000000, -0.0000420300000000, -0.0000437500000000 ] - [ 0.0002541900000000, -0.0001794300000000, -0.0003946200000000 ] - [ -0.0003837200000000, 0.0002279300000000, -0.0007917200000000 ] - [ 0.0003210800000000, 0.0003400100000000, 0.0001624900000000 ] - [ -0.0001289800000000, -0.0003600300000000, -0.0002706400000000 ] - [ -0.0001650000000000, -0.0003960400000000, 0.0003254000000000 ] - [ -0.0007501700000000, -0.0001827500000000, 0.0000821300000000 ] - [ -0.0005710300000000, -0.0033949100000000, -0.0020942100000000 ] - [ 0.0014928400000000, -0.0004929100000000, 0.0006424300000000 ] - [ 0.0010015500000000, 0.0002020400000000, 0.0003431700000000 ] - [ -0.0010078700000000, -0.0002808900000000, -0.0003418600000000 ] - [ 0.0017899400000000, -0.0000777400000000, -0.0000405700000000 ] - [ 0.0000491000000000, -0.0001473900000000, -0.0001332000000000 ] - [ 0.0029951800000000, 0.0003595800000000, -0.0004300700000000 ] - [ 0.0019159200000000, 0.0018725600000000, -0.0011481800000000 ] - [ -0.0015213000000000, -0.0014379700000000, -0.0003635400000000 ] - [ -0.0003191400000000, -0.0021899400000000, -0.0016463900000000 ] - [ -0.0016172500000000, 0.0004286400000000, 0.0008775900000000 ] - [ -0.0011742700000000, -0.0008629700000000, 0.0005067700000000 ] - [ 0.0008947600000000, 0.0006386300000000, -0.0010715400000000 ] - [ -0.0003266400000000, -0.0001238400000000, -0.0002643500000000 ] - [ -0.0007806000000000, -0.0002217800000000, 0.0000285600000000 ] - [ 0.0006683100000000, 0.0002521400000000, 0.0005838300000000 ] - [ 0.0025834900000000, -0.0006365800000000, 0.0015397300000000 ] - [ -0.0017006100000000, -0.0000429800000000, -0.0016196800000000 ] - [ 0.0003208400000000, -0.0001946600000000, -0.0008608300000000 ] - [ 0.0007914300000000, -0.0000165300000000, 0.0004480800000000 ] - [ 0.0004823100000000, 0.0005938900000000, 0.0003248300000000 ] - [ 0.0067414600000000, -0.0112263800000000, 0.0001189900000000 ] - [ -0.1916946500000000, 0.0718949900000000, 0.1054062900000000 ] - [ 0.0005174800000000, -0.0003608100000000, 0.0001801000000000 ] - [ -0.0001264900000000, -0.0002386300000000, 0.0001345700000000 ] - [ 0.2325860700000000, -0.0964631800000000, -0.1346300900000000 ] - [ -0.0003939400000000, -0.0002060500000000, 0.0001850400000000 ] - [ 0.0002558200000000, 0.0000431100000000, 0.0002786800000000 ] - [ -0.0009307300000000, -0.0006394300000000, 0.0009230700000000 ] - [ -0.0018416300000000, -0.0006433300000000, 0.0007242900000000 ] - [ -0.0021170600000000, 0.0003088600000000, -0.0005591200000000 ] - [ -0.0217459700000000, 0.0207460700000000, -0.0006047900000000 ] - [ 0.0003941500000000, -0.0002761300000000, -0.0014637200000000 ] - [ -0.0000230100000000, 0.0000429100000000, 0.0000408300000000 ] - [ -0.0003885800000000, -0.0000827100000000, -0.0000278700000000 ] - [ -0.0011671300000000, 0.0029992500000000, -0.0024676300000000 ] - [ -0.0007376400000000, 0.0001663000000000, -0.0000217900000000 ] - [ -0.0003366400000000, 0.0002066900000000, -0.0001811100000000 ] - [ -0.0003746100000000, -0.0004290300000000, -0.0005525000000000 ] - [ 0.0004723400000000, 0.0001130700000000, 0.0002572600000000 ] - [ -0.0005461400000000, -0.0000718600000000, -0.0006511000000000 ] - [ 0.0004549000000000, 0.0028956500000000, 0.0017427600000000 ] - [ -0.0002277200000000, -0.0000143000000000, -0.0000879000000000 ] - [ 0.0006119000000000, 0.0003610400000000, 0.0000691100000000 ] - [ 0.0005238900000000, -0.0003640100000000, -0.0011384200000000 ] - [ 0.0000123800000000, -0.0001197600000000, 0.0003382300000000 ] - [ -0.0002550900000000, -0.0003284800000000, 0.0008988400000000 ] - [ 0.0009587200000000, 0.0014295200000000, 0.0013734300000000 ] - [ 0.0004994600000000, 0.0002995900000000, -0.0004344900000000 ] - [ 0.0003443900000000, -0.0001829600000000, 0.0000880400000000 ] - [ 0.0007834100000000, -0.0002889800000000, -0.0000713500000000 ] - [ 0.0001216600000000, 0.0000258900000000, -0.0001913500000000 ] - [ 0.0004229100000000, -0.0002045600000000, -0.0000267200000000 ] - [ 0.0047813000000000, 0.0048140200000000, 0.0033368400000000 ] - [ 0.0004493500000000, 0.0005675100000000, 0.0000560400000000 ] - [ -0.0045745300000000, 0.0018676700000000, 0.0009032000000000 ] - [ -0.0001625000000000, 0.0000908300000000, 0.0000490900000000 ] - [ 0.0017297200000000, 0.0020364900000000, 0.0004332700000000 ] - [ -0.0014409900000000, -0.0001196500000000, -0.0000598600000000 ] - [ -0.0006754000000000, -0.0005102700000000, 0.0000931100000000 ] - [ 0.0000655800000000, 0.0008151000000000, 0.0012238500000000 ] - [ -0.0002860300000000, 0.0000539600000000, 0.0000973000000000 ] - [ -0.0006641200000000, 0.0000580200000000, 0.0003581100000000 ] - [ -0.0001902400000000, 0.0002258800000000, 0.0001173900000000 ] - [ -0.0005300700000000, 0.0001460100000000, -0.0002483100000000 ] - [ 0.0001295100000000, -0.0005108400000000, -0.0001136500000000 ] - [ -0.0004250600000000, 0.0006700600000000, 0.0005002600000000 ] - [ 0.0009838700000000, -0.0003291600000000, 0.0000565300000000 ] - [ -0.0013356400000000, -0.0004686900000000, -0.0005394700000000 ] - [ -0.0008078800000000, -0.0003058100000000, 0.0003351000000000 ] - [ -0.0004151600000000, 0.0000491900000000, 0.0000662500000000 ] - [ 0.0012017400000000, -0.0006503100000000, 0.0001413100000000 ] - [ -0.0015857300000000, 0.0010531900000000, -0.0002205900000000 ] - [ 0.0008677000000000, 0.0003975800000000, -0.0000779400000000 ] - [ -0.0008718200000000, -0.0006073000000000, 0.0002335900000000 ] - [ 0.0010939300000000, 0.0018187900000000, -0.0010474500000000 ] - [ -0.0025861200000000, 0.0005734300000000, -0.0015130300000000 ] - [ -0.0004626800000000, 0.0002323900000000, -0.0001081100000000 ] - [ -0.0018778000000000, -0.0000258200000000, -0.0011866100000000 ] - [ 0.0001383200000000, 0.0003161900000000, -0.0001090900000000 ] - [ 0.0001892600000000, 0.0000900800000000, 0.0001296200000000 ] - [ -0.0006756100000000, -0.0003413500000000, -0.0002960600000000 ] - [ -0.0005818000000000, 0.0026323400000000, 0.0008760000000000 ] - [ -0.0018089000000000, -0.0007890500000000, 0.0010448700000000 ] - [ -0.0009039000000000, -0.0001781300000000, 0.0002065800000000 ] - [ -0.0006566500000000, -0.0012616700000000, 0.0006809800000000 ] - [ 0.0001679900000000, 0.0002347600000000, 0.0001841600000000 ] - [ -0.0000644700000000, -0.0019449800000000, 0.0015863700000000 ] - [ 0.0001989000000000, 0.0001828800000000, 0.0001857700000000 ] - [ 0.0005441800000000, -0.0000095300000000, 0.0001526900000000 ] - [ 0.0008484200000000, 0.0009944900000000, 0.0007099500000000 ] - [ -0.0119051800000000, -0.0003455800000000, 0.0200011500000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001269600000000, 0.0004607200000000, 0.0001389300000000 ] - [ 0.0000294800000000, 0.0007657900000000, -0.0001473500000000 ] - [ -0.0001038000000000, -0.0001206600000000, 0.0001988200000000 ] - [ -0.0004849100000000, -0.0020153800000000, 0.0005706200000000 ] - [ -0.0000650700000000, -0.0000303500000000, 0.0000754300000000 ] - [ -0.0006400800000000, -0.0004114400000000, 0.0008856400000000 ] - [ -0.0018185500000000, 0.0030998100000000, 0.0012108300000000 ] - [ 0.0003648800000000, -0.0007452000000000, 0.0000900000000000 ] - [ 0.0001769000000000, -0.0002152400000000, 0.0002063300000000 ] - [ 0.0000221500000000, -0.0002274700000000, -0.0000494500000000 ] - [ 0.0000316100000000, 0.0011500600000000, -0.0006225400000000 ] - [ 0.0000419600000000, 0.0001445400000000, 0.0000150400000000 ] - [ -0.0000814600000000, -0.0002916000000000, -0.0000302300000000 ] - [ -0.0001429000000000, -0.0005203900000000, -0.0002040600000000 ] - [ 0.0001236500000000, -0.0007200900000000, -0.0000610000000000 ] - [ 0.0000658300000000, -0.0002391900000000, -0.0001337600000000 ] - [ 0.0002648400000000, 0.0003328600000000, 0.0004954600000000 ] - [ 0.0003907000000000, -0.0001734000000000, -0.0002909700000000 ] - [ -0.0017354900000000, 0.0001378700000000, -0.0013109900000000 ] - [ -0.0001401700000000, 0.0000851100000000, -0.0001707100000000 ] - [ -0.0001418600000000, 0.0000697700000000, 0.0000403200000000 ] - [ 0.0000573300000000, -0.0000237600000000, 0.0001823800000000 ] - [ 0.0002421300000000, -0.0011005100000000, 0.0002731600000000 ] - [ 0.0002930400000000, -0.0000871600000000, 0.0000227300000000 ] - [ 0.0001240300000000, -0.0002080600000000, -0.0001923400000000 ] - [ 0.0000291000000000, 0.0015981600000000, 0.0024097500000000 ] - [ 0.0000649600000000, -0.0004621200000000, 0.0001598100000000 ] - [ 0.0001056900000000, 0.0016292500000000, 0.0004785200000000 ] - [ -0.0003196000000000, 0.0001802500000000, -0.0004749600000000 ] - [ -0.0024436000000000, 0.0016689800000000, -0.0008685000000000 ] - [ -0.0004690400000000, 0.0013206000000000, 0.0001331700000000 ] - [ 0.0006135300000000, 0.0002137500000000, -0.0000054100000000 ] - [ 0.0000301800000000, 0.0001802100000000, 0.0000082300000000 ] - [ 0.0001171300000000, -0.0002099900000000, -0.0000672800000000 ] - [ 0.0001779200000000, 0.0001407600000000, -0.0002275400000000 ] - [ -0.0001880000000000, 0.0004571600000000, -0.0001210200000000 ] - [ -0.0001316500000000, -0.0005273100000000, -0.0000823200000000 ] - [ 0.0000385400000000, -0.0004979800000000, -0.0004504100000000 ] - [ 0.0000409100000000, -0.0005470300000000, 0.0002617300000000 ] - [ 0.0000651900000000, -0.0012996000000000, 0.0002766000000000 ] - [ 0.0049699400000000, -0.0082090500000000, -0.0024516700000000 ] - [ -0.0002456000000000, 0.0009516200000000, -0.0006389800000000 ] - [ -0.0000137900000000, -0.0006988600000000, 0.0005504900000000 ] - [ -0.0003512100000000, -0.0013973400000000, -0.0003643300000000 ] - [ -0.0001867800000000, -0.0000764600000000, 0.0006142600000000 ] - [ -0.0000629800000000, -0.0004342800000000, -0.0000855100000000 ] - [ 0.0002862900000000, 0.0012531000000000, 0.0001752400000000 ] - [ -0.0019417900000000, 0.0005765100000000, 0.0004813900000000 ] - [ -0.0014796000000000, -0.0031624000000000, -0.0010374400000000 ] - [ 0.0002596800000000, -0.0019590400000000, -0.0017361800000000 ] - [ -0.0001074000000000, 0.0011370900000000, -0.0009186500000000 ] - [ -0.0005600500000000, -0.0019932100000000, 0.0003939000000000 ] - [ -0.0004003900000000, 0.0004231200000000, 0.0000537500000000 ] - [ -0.0002927400000000, -0.0008918800000000, -0.0005361500000000 ] - [ -0.0002574000000000, 0.0007392700000000, 0.0004360100000000 ] - [ 0.0003006000000000, 0.0008184400000000, 0.0003073500000000 ] - [ 0.0007951700000000, 0.0005074300000000, 0.0001031000000000 ] - [ -0.0001907300000000, -0.0004421900000000, -0.0018146800000000 ] - [ 0.0002422100000000, 0.0008005300000000, 0.0000383200000000 ] - [ 0.0001983600000000, -0.0006655500000000, 0.0004264100000000 ] - [ -0.0014500500000000, -0.0006657300000000, 0.0005942300000000 ] - [ 0.0046530900000000, -0.0055689300000000, 0.0008052700000000 ] - [ -0.0713386100000000, 0.0771692500000000, 0.0491903900000000 ] - [ 0.0001446500000000, -0.0006877000000000, 0.0000911800000000 ] - [ 0.0001927100000000, -0.0001969500000000, -0.0002966500000000 ] - [ 0.0948077100000000, -0.0894178500000000, -0.0622399300000000 ] - [ -0.0002249500000000, -0.0006104500000000, 0.0004470100000000 ] - [ -0.0001761700000000, 0.0001467100000000, 0.0003849200000000 ] - [ 0.0006275800000000, 0.0001291400000000, -0.0004171900000000 ] - [ -0.0006270700000000, -0.0008680300000000, 0.0000414200000000 ] - [ -0.0003182500000000, -0.0003741200000000, -0.0000037100000000 ] - [ -0.0169267200000000, 0.0045973900000000, -0.0002081900000000 ] - [ -0.0001225800000000, -0.0012000400000000, -0.0004914100000000 ] - [ 0.0000385800000000, -0.0003478100000000, 0.0001984600000000 ] - [ -0.0002183500000000, 0.0002407200000000, -0.0000665100000000 ] - [ -0.0009416300000000, 0.0015537900000000, -0.0015508300000000 ] - [ -0.0001285200000000, 0.0005569900000000, -0.0000167700000000 ] - [ -0.0002484400000000, 0.0004092000000000, -0.0002113600000000 ] - [ 0.0012452400000000, 0.0004540400000000, -0.0003768000000000 ] - [ 0.0005335200000000, 0.0007113500000000, 0.0006570000000000 ] - [ -0.0003261200000000, -0.0004600800000000, -0.0004251100000000 ] - [ -0.0017893000000000, 0.0021806800000000, -0.0003879000000000 ] - [ 0.0000249500000000, 0.0000450800000000, -0.0000921600000000 ] - [ -0.0000819000000000, 0.0010358100000000, 0.0002818400000000 ] - [ 0.0005594500000000, -0.0014441900000000, 0.0011760100000000 ] - [ 0.0000108200000000, 0.0002155200000000, 0.0003298200000000 ] - [ 0.0000838500000000, -0.0004617000000000, -0.0004466100000000 ] - [ -0.0002289800000000, 0.0007718900000000, 0.0011276500000000 ] - [ 0.0003474600000000, 0.0013344000000000, -0.0001366200000000 ] - [ 0.0001848800000000, -0.0002904700000000, 0.0003840500000000 ] - [ -0.0000574100000000, -0.0011772000000000, 0.0001459000000000 ] - [ 0.0002374000000000, 0.0003885500000000, -0.0000658000000000 ] - [ 0.0000342500000000, 0.0004760000000000, 0.0000118900000000 ] - [ -0.0112510000000000, 0.0156179200000000, 0.0181053700000000 ] - [ 0.0000502800000000, 0.0016080600000000, 0.0003891600000000 ] - [ -0.0030048500000000, 0.0005388500000000, 0.0008447900000000 ] - [ -0.0001594000000000, 0.0002977700000000, 0.0000185100000000 ] - [ 0.0015119500000000, 0.0038595000000000, 0.0009081900000000 ] - [ -0.0001292100000000, -0.0005208000000000, 0.0002999400000000 ] - [ 0.0001080400000000, 0.0001664200000000, -0.0001200400000000 ] - [ -0.0025108100000000, 0.0008976400000000, 0.0030158200000000 ] - [ -0.0000723500000000, 0.0002145900000000, -0.0000159500000000 ] - [ -0.0001382000000000, -0.0003572100000000, 0.0000791000000000 ] - [ 0.0001184800000000, 0.0004374500000000, 0.0002946200000000 ] - [ 0.0001560400000000, 0.0006584900000000, -0.0001338800000000 ] - [ 0.0010987900000000, 0.0010321800000000, -0.0002584300000000 ] - [ -0.0004997100000000, 0.0006811600000000, 0.0005704800000000 ] - [ 0.0003361900000000, 0.0003151100000000, -0.0001541500000000 ] - [ -0.0001289100000000, -0.0009054700000000, -0.0002257000000000 ] - [ 0.0000281000000000, -0.0003255400000000, -0.0000053400000000 ] - [ -0.0000961000000000, 0.0004144100000000, -0.0000558600000000 ] - [ 0.0002928800000000, -0.0004230600000000, 0.0008195800000000 ] - [ -0.0000805600000000, -0.0000669700000000, -0.0001357500000000 ] - [ 0.0004073800000000, 0.0011758900000000, -0.0000992000000000 ] - [ 0.0003577100000000, -0.0000890000000000, -0.0003365700000000 ] - [ 0.0005074700000000, 0.0020380200000000, -0.0011584000000000 ] - [ -0.0008172100000000, -0.0010520200000000, -0.0004081500000000 ] - [ -0.0001933800000000, 0.0005020600000000, 0.0000311000000000 ] - [ 0.0006512200000000, 0.0000970700000000, 0.0005250900000000 ] - [ -0.0002062200000000, 0.0001314900000000, -0.0006190900000000 ] - [ 0.0001880500000000, 0.0003337900000000, 0.0001891600000000 ] - [ 0.0004836300000000, 0.0007890400000000, -0.0005235700000000 ] - [ -0.0015678100000000, 0.0019512700000000, 0.0012445200000000 ] - [ 0.0004016100000000, -0.0013502100000000, 0.0000975800000000 ] - [ 0.0000518700000000, 0.0001179800000000, -0.0000384000000000 ] - [ 0.0010360200000000, 0.0004801900000000, -0.0002797800000000 ] - [ -0.0002774500000000, 0.0008581000000000, 0.0001110600000000 ] - [ 0.0014756000000000, -0.0000218800000000, -0.0013940400000000 ] - [ -0.0001998200000000, -0.0005446600000000, -0.0002810800000000 ] - [ -0.0000210900000000, -0.0004396500000000, -0.0000358900000000 ] - [ 0.0003716600000000, 0.0012043400000000, 0.0007577700000000 ] - [ 0.0075057700000000, -0.0092061300000000, -0.0070753000000000 ]- atom: 66 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001160800000000, -0.0004129500000000, -0.0000238800000000 ] - [ -0.0001880800000000, -0.0006671000000000, 0.0003168500000000 ] - [ 0.0000707000000000, 0.0003341100000000, -0.0001880800000000 ] - [ 0.0002918100000000, 0.0022231000000000, -0.0005956300000000 ] - [ -0.0001296200000000, -0.0001881000000000, -0.0000471200000000 ] - [ 0.0006753700000000, 0.0006084200000000, -0.0008944500000000 ] - [ 0.0015667000000000, -0.0032572200000000, -0.0015353100000000 ] - [ -0.0002189000000000, 0.0006527700000000, -0.0002538200000000 ] - [ -0.0003710500000000, 0.0004331100000000, -0.0001798100000000 ] - [ -0.0000362400000000, 0.0001784300000000, -0.0000664500000000 ] - [ -0.0000134600000000, -0.0011921100000000, 0.0005170900000000 ] - [ -0.0000294400000000, -0.0001934600000000, 0.0001016300000000 ] - [ 0.0000686900000000, 0.0002431700000000, 0.0001471300000000 ] - [ 0.0002933800000000, 0.0004283500000000, 0.0003691700000000 ] - [ 0.0001511900000000, 0.0005571000000000, -0.0002442000000000 ] - [ -0.0000796100000000, 0.0002876400000000, 0.0000181000000000 ] - [ -0.0004132700000000, -0.0004271600000000, -0.0003336900000000 ] - [ -0.0004242400000000, 0.0003886300000000, 0.0002812900000000 ] - [ 0.0018970200000000, -0.0000078800000000, 0.0012937800000000 ] - [ 0.0001077400000000, -0.0003001100000000, 0.0001612400000000 ] - [ -0.0000497600000000, -0.0002883500000000, -0.0000659800000000 ] - [ 0.0002190000000000, 0.0001858300000000, 0.0001244100000000 ] - [ 0.0000357500000000, 0.0009385000000000, 0.0000314400000000 ] - [ -0.0000177900000000, 0.0002503100000000, -0.0003285500000000 ] - [ 0.0000233300000000, 0.0003019200000000, 0.0000302200000000 ] - [ -0.0000239600000000, -0.0015304100000000, -0.0025586600000000 ] - [ 0.0000838400000000, 0.0005542800000000, 0.0000025200000000 ] - [ -0.0000832700000000, -0.0019073200000000, -0.0004065600000000 ] - [ 0.0000434400000000, -0.0000158900000000, 0.0001697300000000 ] - [ 0.0023239900000000, -0.0017414100000000, 0.0007244100000000 ] - [ 0.0001844000000000, -0.0014902900000000, 0.0001631500000000 ] - [ -0.0004230300000000, 0.0000011900000000, -0.0000225500000000 ] - [ -0.0003063400000000, -0.0000154600000000, 0.0002977900000000 ] - [ 0.0000751800000000, -0.0000065200000000, 0.0000402600000000 ] - [ -0.0001455600000000, 0.0000713400000000, 0.0002389700000000 ] - [ 0.0000400400000000, -0.0003644900000000, -0.0000412600000000 ] - [ 0.0001638100000000, 0.0003149600000000, 0.0000919800000000 ] - [ 0.0001549900000000, 0.0002816000000000, 0.0004771400000000 ] - [ -0.0000068400000000, 0.0003350200000000, -0.0002718900000000 ] - [ -0.0000783100000000, 0.0013536800000000, -0.0001632800000000 ] - [ -0.0050506400000000, 0.0086367900000000, 0.0030980800000000 ] - [ 0.0001400800000000, -0.0014342900000000, 0.0002411900000000 ] - [ 0.0001151200000000, 0.0011806300000000, -0.0001550500000000 ] - [ 0.0004507700000000, 0.0018844600000000, -0.0000307400000000 ] - [ 0.0002811200000000, 0.0005075100000000, 0.0000184400000000 ] - [ -0.0002454900000000, 0.0004985300000000, 0.0003653400000000 ] - [ -0.0003906500000000, -0.0007723500000000, -0.0005746400000000 ] - [ 0.0022498100000000, -0.0006396700000000, -0.0007591100000000 ] - [ 0.0015771100000000, 0.0027282700000000, 0.0003978100000000 ] - [ -0.0005736500000000, 0.0018987100000000, 0.0014629800000000 ] - [ 0.0000140500000000, -0.0015774500000000, 0.0015622400000000 ] - [ 0.0006667600000000, 0.0015102400000000, -0.0007980700000000 ] - [ 0.0003017800000000, 0.0000110600000000, -0.0006885700000000 ] - [ -0.0000178200000000, 0.0009565000000000, 0.0002558500000000 ] - [ 0.0001586600000000, -0.0012225400000000, -0.0000338800000000 ] - [ 0.0000103000000000, -0.0007577900000000, -0.0005866600000000 ] - [ -0.0009003200000000, -0.0009448500000000, -0.0007401800000000 ] - [ 0.0002861300000000, 0.0008758900000000, 0.0011881200000000 ] - [ 0.0000683600000000, -0.0007358700000000, 0.0002499400000000 ] - [ -0.0001009800000000, 0.0002319600000000, 0.0002102600000000 ] - [ 0.0011483100000000, 0.0005993000000000, -0.0003236700000000 ] - [ -0.0043573200000000, 0.0055337400000000, -0.0005278400000000 ] - [ 0.0697388000000000, -0.0770442500000000, -0.0478033000000000 ] - [ -0.0000441000000000, 0.0002059700000000, 0.0003083600000000 ] - [ 0.0000147300000000, 0.0000288200000000, -0.0000145500000000 ] - [ -0.0935658600000000, 0.0901153100000000, 0.0608581600000000 ] - [ 0.0003415700000000, 0.0006946300000000, 0.0001854400000000 ] - [ -0.0000294300000000, -0.0003149100000000, -0.0006995600000000 ] - [ -0.0005862700000000, -0.0001743200000000, 0.0004993700000000 ] - [ 0.0004722400000000, 0.0003361200000000, -0.0003072200000000 ] - [ 0.0000259200000000, 0.0006491600000000, 0.0002246900000000 ] - [ 0.0169407300000000, -0.0047507900000000, -0.0004322300000000 ] - [ -0.0001867700000000, 0.0011584100000000, 0.0003097600000000 ] - [ 0.0000696300000000, 0.0001295900000000, 0.0002868200000000 ] - [ 0.0000391400000000, -0.0004654800000000, 0.0000544400000000 ] - [ 0.0010520900000000, -0.0013435900000000, 0.0010707800000000 ] - [ -0.0000493300000000, -0.0003318500000000, 0.0000067700000000 ] - [ 0.0001340100000000, -0.0003258800000000, -0.0004239500000000 ] - [ -0.0013634000000000, -0.0002358300000000, -0.0001054000000000 ] - [ -0.0005733900000000, -0.0006677600000000, -0.0005729300000000 ] - [ 0.0003697700000000, 0.0005077500000000, 0.0005089100000000 ] - [ 0.0018220000000000, -0.0022321600000000, 0.0002966000000000 ] - [ 0.0002719300000000, -0.0003207500000000, -0.0001274300000000 ] - [ -0.0000953300000000, -0.0008146800000000, -0.0002731000000000 ] - [ -0.0003540900000000, 0.0016187900000000, -0.0008699100000000 ] - [ -0.0001187800000000, -0.0004373300000000, 0.0001595400000000 ] - [ 0.0000257200000000, 0.0002424600000000, -0.0000504800000000 ] - [ 0.0001912500000000, -0.0008162300000000, -0.0010487800000000 ] - [ -0.0005541700000000, -0.0011681600000000, -0.0001700500000000 ] - [ -0.0001472400000000, 0.0003366800000000, -0.0004716100000000 ] - [ 0.0002363300000000, 0.0009557900000000, -0.0001599400000000 ] - [ 0.0000691700000000, -0.0004340100000000, -0.0001152800000000 ] - [ 0.0001245800000000, -0.0010136400000000, -0.0002809300000000 ] - [ 0.0113315800000000, -0.0152557000000000, -0.0178567400000000 ] - [ -0.0002295700000000, -0.0018321000000000, -0.0003755900000000 ] - [ 0.0027026800000000, -0.0004993100000000, -0.0006608000000000 ] - [ 0.0000504100000000, -0.0005181500000000, -0.0005055600000000 ] - [ -0.0015132200000000, -0.0038544300000000, -0.0009081200000000 ] - [ -0.0001636500000000, 0.0002429600000000, -0.0000830000000000 ] - [ -0.0001076700000000, -0.0001669900000000, 0.0001200400000000 ] - [ 0.0026991500000000, -0.0010655700000000, -0.0026927200000000 ] - [ 0.0000316900000000, -0.0001692200000000, -0.0000669100000000 ] - [ -0.0001651200000000, 0.0003114400000000, 0.0000987400000000 ] - [ 0.0000386300000000, 0.0000955100000000, -0.0000305500000000 ] - [ 0.0001411800000000, -0.0003839900000000, -0.0000840300000000 ] - [ -0.0008006800000000, -0.0009888000000000, 0.0004459700000000 ] - [ 0.0008085400000000, -0.0006384200000000, -0.0007544900000000 ] - [ -0.0000463400000000, -0.0005875300000000, 0.0003742000000000 ] - [ 0.0003130300000000, 0.0006829100000000, 0.0002378800000000 ] - [ 0.0001527200000000, 0.0005488500000000, 0.0000173600000000 ] - [ 0.0002532900000000, -0.0009486700000000, 0.0003220200000000 ] - [ -0.0002949900000000, 0.0004265000000000, -0.0008246500000000 ] - [ 0.0000831300000000, 0.0000675300000000, 0.0001365700000000 ] - [ -0.0001108700000000, -0.0009020300000000, 0.0003149100000000 ] - [ -0.0003991800000000, 0.0000471700000000, 0.0002589600000000 ] - [ -0.0003530200000000, -0.0015089900000000, 0.0008978000000000 ] - [ 0.0010277100000000, 0.0012222400000000, 0.0000986100000000 ] - [ -0.0000149000000000, -0.0003370100000000, 0.0002773000000000 ] - [ -0.0008073400000000, 0.0004357900000000, -0.0007904300000000 ] - [ 0.0000491700000000, 0.0004002600000000, 0.0008839600000000 ] - [ 0.0001146700000000, -0.0003800700000000, -0.0000094500000000 ] - [ -0.0006009200000000, -0.0008743500000000, -0.0001086500000000 ] - [ 0.0014694200000000, -0.0017353700000000, -0.0007584400000000 ] - [ -0.0002853100000000, 0.0012657400000000, 0.0005370100000000 ] - [ -0.0002563900000000, -0.0002834700000000, 0.0003487100000000 ] - [ -0.0009249700000000, -0.0002616800000000, 0.0007685300000000 ] - [ 0.0001622100000000, -0.0007749300000000, 0.0005237300000000 ] - [ -0.0017800400000000, 0.0000630200000000, 0.0012102900000000 ] - [ 0.0003139100000000, 0.0006275400000000, -0.0003567800000000 ] - [ -0.0002763100000000, 0.0001628900000000, -0.0001846300000000 ] - [ -0.0004868600000000, -0.0012919000000000, -0.0001254900000000 ] - [ -0.0075441900000000, 0.0086844000000000, 0.0072524200000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000830100000000, 0.0000410800000000, 0.0007701300000000 ] - [ 0.0013474500000000, -0.0002895600000000, -0.0005481600000000 ] - [ 0.0001000300000000, 0.0004293800000000, -0.0005888500000000 ] - [ -0.0002839500000000, 0.0006642500000000, 0.0012848300000000 ] - [ 0.0000178100000000, -0.0000024300000000, -0.0003284600000000 ] - [ 0.0005767800000000, 0.0020221600000000, -0.0007262700000000 ] - [ -0.0044590100000000, 0.0014492300000000, 0.0048558400000000 ] - [ -0.0000856000000000, 0.0000621400000000, 0.0002864800000000 ] - [ 0.0000037200000000, 0.0001692100000000, 0.0002611400000000 ] - [ 0.0000371000000000, -0.0000158400000000, -0.0001622400000000 ] - [ -0.0000414500000000, -0.0003074800000000, -0.0030063400000000 ] - [ 0.0000854300000000, -0.0000069800000000, -0.0004981400000000 ] - [ -0.0000672400000000, -0.0000764200000000, -0.0003869200000000 ] - [ -0.0001581100000000, -0.0002917800000000, -0.0000849000000000 ] - [ 0.0002399100000000, -0.0000331500000000, 0.0000817700000000 ] - [ 0.0000693000000000, -0.0000743200000000, 0.0000064500000000 ] - [ -0.0007291700000000, 0.0001042600000000, -0.0000315400000000 ] - [ 0.0003159100000000, -0.0002472700000000, 0.0000724800000000 ] - [ -0.0013908800000000, -0.0014447700000000, 0.0016572400000000 ] - [ -0.0002553800000000, -0.0002666400000000, -0.0001808600000000 ] - [ -0.0001224800000000, 0.0000813700000000, -0.0008987500000000 ] - [ 0.0002019800000000, 0.0001255600000000, -0.0002948500000000 ] - [ 0.0000948600000000, -0.0002349800000000, 0.0005151900000000 ] - [ 0.0000196800000000, 0.0002079800000000, -0.0004863400000000 ] - [ 0.0001646300000000, -0.0000219700000000, -0.0003412200000000 ] - [ -0.0010024100000000, 0.0014032600000000, -0.0015668100000000 ] - [ 0.0002364300000000, 0.0000850200000000, 0.0001050800000000 ] - [ -0.0003547100000000, 0.0003223800000000, 0.0022918400000000 ] - [ -0.0002678900000000, -0.0001576200000000, -0.0007677200000000 ] - [ -0.0023319400000000, -0.0005022200000000, 0.0014638600000000 ] - [ 0.0000020200000000, -0.0000184900000000, 0.0016720200000000 ] - [ 0.0006110700000000, -0.0000743200000000, 0.0005988200000000 ] - [ -0.0001819900000000, 0.0000249900000000, -0.0004479700000000 ] - [ 0.0001208900000000, -0.0001438300000000, -0.0003204700000000 ] - [ 0.0001942100000000, -0.0000885900000000, -0.0005240800000000 ] - [ 0.0001662200000000, 0.0000726100000000, -0.0011395400000000 ] - [ -0.0000817000000000, -0.0002946400000000, 0.0002849800000000 ] - [ 0.0000584100000000, -0.0003510300000000, -0.0006752800000000 ] - [ -0.0002185300000000, 0.0002858400000000, -0.0001255100000000 ] - [ 0.0000207600000000, -0.0000951800000000, 0.0008378400000000 ] - [ 0.0048920600000000, -0.0074700400000000, -0.0004311600000000 ] - [ -0.0000280200000000, -0.0001733200000000, -0.0004926600000000 ] - [ 0.0001305300000000, 0.0002588100000000, 0.0007908700000000 ] - [ -0.0000533200000000, -0.0004520700000000, -0.0000337800000000 ] - [ 0.0003099400000000, 0.0006717500000000, 0.0008622200000000 ] - [ -0.0000901200000000, -0.0000684400000000, -0.0005418700000000 ] - [ 0.0015119400000000, 0.0005005100000000, -0.0003355300000000 ] - [ 0.0026134900000000, 0.0020228000000000, 0.0015291500000000 ] - [ -0.0016215500000000, -0.0018523300000000, -0.0002266600000000 ] - [ 0.0006532300000000, -0.0015668700000000, 0.0003637800000000 ] - [ -0.0001824700000000, -0.0009864300000000, -0.0030070200000000 ] - [ -0.0000006800000000, 0.0001735500000000, -0.0008257600000000 ] - [ 0.0003314000000000, 0.0005866400000000, -0.0011810600000000 ] - [ -0.0005949300000000, 0.0000040100000000, -0.0007903900000000 ] - [ -0.0000272500000000, -0.0000680400000000, -0.0025557900000000 ] - [ -0.0011115500000000, 0.0005030300000000, -0.0015081800000000 ] - [ -0.0003156200000000, 0.0000431000000000, 0.0000157400000000 ] - [ 0.0002115400000000, -0.0011340400000000, -0.0019343700000000 ] - [ -0.0003148300000000, 0.0000217200000000, -0.0020433400000000 ] - [ 0.0002679300000000, -0.0000051800000000, -0.0000775200000000 ] - [ -0.0004939200000000, -0.0000545500000000, 0.0016573600000000 ] - [ 0.0005847800000000, 0.0014010400000000, 0.0026464100000000 ] - [ -0.1033845000000000, 0.0490402900000000, 0.1135333200000000 ] - [ 0.0000652600000000, -0.0003150800000000, -0.0002949700000000 ] - [ -0.0000503800000000, -0.0002134400000000, 0.0004021500000000 ] - [ 0.1330213900000000, -0.0623865400000000, -0.1315863300000000 ] - [ 0.0003560900000000, 0.0000933200000000, 0.0007581100000000 ] - [ -0.0002940500000000, 0.0001986000000000, 0.0007877000000000 ] - [ -0.0008382900000000, -0.0006583800000000, 0.0003461000000000 ] - [ -0.0011938400000000, -0.0005055100000000, 0.0006416900000000 ] - [ -0.0008133700000000, 0.0002513100000000, -0.0004237500000000 ] - [ 0.0058259400000000, -0.0038337500000000, -0.0074867100000000 ] - [ 0.0011364700000000, -0.0003085100000000, 0.0013981300000000 ] - [ 0.0003309400000000, -0.0003749400000000, 0.0013684500000000 ] - [ -0.0001398500000000, -0.0002128200000000, 0.0002154500000000 ] - [ 0.0005444900000000, -0.0001989100000000, -0.0015663000000000 ] - [ -0.0002076100000000, -0.0001568100000000, -0.0003305500000000 ] - [ -0.0001863600000000, 0.0001550100000000, -0.0000041100000000 ] - [ 0.0007584300000000, 0.0004916300000000, -0.0010299900000000 ] - [ 0.0005063500000000, 0.0003844600000000, 0.0004612900000000 ] - [ 0.0004520800000000, -0.0000640500000000, 0.0002087200000000 ] - [ -0.0023584800000000, 0.0007213000000000, -0.0025483400000000 ] - [ 0.0001704100000000, -0.0001556800000000, 0.0002646400000000 ] - [ -0.0000303000000000, 0.0008615100000000, 0.0002351800000000 ] - [ 0.0015045500000000, 0.0007839800000000, 0.0024222100000000 ] - [ 0.0000033400000000, -0.0001501200000000, 0.0008132400000000 ] - [ -0.0001823800000000, -0.0001694300000000, 0.0014360100000000 ] - [ -0.0003609400000000, 0.0015753000000000, 0.0006436600000000 ] - [ 0.0003107600000000, 0.0004304000000000, -0.0008275800000000 ] - [ 0.0007526000000000, 0.0000807000000000, 0.0018529600000000 ] - [ 0.0002701000000000, -0.0004919800000000, 0.0017299200000000 ] - [ 0.0003107800000000, -0.0000033900000000, 0.0000355400000000 ] - [ 0.0000529300000000, -0.0002253600000000, 0.0000143400000000 ] - [ -0.0091777300000000, 0.0187291700000000, 0.0077347600000000 ] - [ -0.0000023200000000, 0.0002499900000000, 0.0000867300000000 ] - [ 0.0001865300000000, -0.0000527200000000, -0.0010363400000000 ] - [ -0.0001551600000000, 0.0001215500000000, 0.0002486100000000 ] - [ 0.0011537200000000, 0.0033210300000000, 0.0003652300000000 ] - [ -0.0003188500000000, 0.0000538400000000, 0.0006640500000000 ] - [ -0.0003010200000000, -0.0003459500000000, 0.0002460700000000 ] - [ -0.0016487100000000, 0.0016368000000000, 0.0018694200000000 ] - [ -0.0001721200000000, -0.0000388800000000, 0.0003785600000000 ] - [ -0.0001823100000000, 0.0000416400000000, 0.0009146800000000 ] - [ 0.0001467600000000, 0.0004366000000000, 0.0004711400000000 ] - [ 0.0000091700000000, 0.0001125400000000, -0.0004996000000000 ] - [ 0.0003479300000000, 0.0000368100000000, -0.0010033600000000 ] - [ -0.0003172100000000, 0.0004089300000000, -0.0000903000000000 ] - [ 0.0002005400000000, -0.0004022500000000, 0.0006837700000000 ] - [ -0.0002564200000000, -0.0001797300000000, -0.0000967300000000 ] - [ -0.0001375100000000, -0.0002382500000000, 0.0003545500000000 ] - [ -0.0000802800000000, -0.0000681200000000, -0.0001926000000000 ] - [ -0.0001947300000000, 0.0006723300000000, 0.0010179900000000 ] - [ 0.0000655300000000, -0.0002960300000000, -0.0002091000000000 ] - [ 0.0003347800000000, 0.0003444800000000, -0.0001880300000000 ] - [ -0.0000460500000000, -0.0005026100000000, -0.0008115300000000 ] - [ 0.0000028100000000, -0.0007780700000000, 0.0002281100000000 ] - [ 0.0007019800000000, -0.0000503700000000, -0.0011444000000000 ] - [ -0.0000484600000000, 0.0000660400000000, 0.0002141700000000 ] - [ 0.0004759700000000, 0.0004864600000000, 0.0001181000000000 ] - [ 0.0003630800000000, -0.0000583200000000, 0.0021918600000000 ] - [ 0.0002004500000000, 0.0000049700000000, 0.0005086200000000 ] - [ 0.0000627000000000, 0.0001116200000000, -0.0007404900000000 ] - [ -0.0004485500000000, 0.0012001300000000, -0.0010941500000000 ] - [ -0.0013059400000000, -0.0007826800000000, 0.0001611000000000 ] - [ -0.0005492100000000, -0.0003469600000000, 0.0000973600000000 ] - [ -0.0003313900000000, -0.0003636700000000, -0.0014566100000000 ] - [ 0.0001997800000000, -0.0001825000000000, 0.0008011800000000 ] - [ -0.0024879600000000, -0.0023831700000000, 0.0004582300000000 ] - [ 0.0003775000000000, 0.0003536700000000, 0.0012206100000000 ] - [ -0.0004093000000000, -0.0002113100000000, 0.0013262000000000 ] - [ 0.0000631600000000, 0.0005332900000000, 0.0001023100000000 ] - [ -0.0220614900000000, -0.0011502700000000, 0.0078344700000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000734500000000, 0.0000055900000000, -0.0006556900000000 ] - [ -0.0014997900000000, 0.0003826900000000, 0.0007162600000000 ] - [ -0.0001340500000000, -0.0002178700000000, 0.0006000800000000 ] - [ 0.0000936500000000, -0.0004428000000000, -0.0013163900000000 ] - [ -0.0002108900000000, -0.0002143400000000, 0.0003564100000000 ] - [ -0.0005449100000000, -0.0018116800000000, 0.0007185300000000 ] - [ 0.0043903600000000, -0.0016789400000000, -0.0052716000000000 ] - [ 0.0002331500000000, -0.0001545600000000, -0.0004500700000000 ] - [ -0.0001991200000000, 0.0000493000000000, -0.0002361500000000 ] - [ -0.0000509600000000, -0.0000321200000000, 0.0000465500000000 ] - [ 0.0000608400000000, 0.0002571600000000, 0.0028856000000000 ] - [ -0.0000726700000000, -0.0000415600000000, 0.0006151300000000 ] - [ 0.0000543900000000, 0.0000285900000000, 0.0005033700000000 ] - [ 0.0003068000000000, 0.0001988100000000, 0.0002472100000000 ] - [ 0.0000359400000000, -0.0001301200000000, -0.0003881600000000 ] - [ -0.0000836300000000, 0.0001234000000000, -0.0001232900000000 ] - [ 0.0005840000000000, -0.0001991900000000, 0.0001904900000000 ] - [ -0.0003503500000000, 0.0004619400000000, -0.0000802200000000 ] - [ 0.0015708700000000, 0.0016299700000000, -0.0016575100000000 ] - [ 0.0002228200000000, 0.0000540700000000, 0.0001697900000000 ] - [ -0.0000699600000000, -0.0002976200000000, 0.0008727600000000 ] - [ 0.0000747700000000, 0.0000389700000000, 0.0006007200000000 ] - [ 0.0001822000000000, 0.0000742100000000, -0.0002114000000000 ] - [ 0.0002565800000000, -0.0000436300000000, 0.0001814400000000 ] - [ -0.0000170000000000, 0.0001161900000000, 0.0001784600000000 ] - [ 0.0009891300000000, -0.0012954100000000, 0.0013450200000000 ] - [ -0.0000881500000000, 0.0000091500000000, 0.0000583900000000 ] - [ 0.0003679700000000, -0.0005880300000000, -0.0022387000000000 ] - [ -0.0000087800000000, 0.0003209000000000, 0.0004637700000000 ] - [ 0.0022106000000000, 0.0004238700000000, -0.0016057300000000 ] - [ -0.0002871900000000, -0.0001535800000000, -0.0013712600000000 ] - [ -0.0004220100000000, 0.0002924800000000, -0.0006283900000000 ] - [ -0.0000937600000000, 0.0001383400000000, 0.0007544300000000 ] - [ 0.0000714800000000, -0.0000729900000000, 0.0002936400000000 ] - [ -0.0001620100000000, 0.0003032700000000, 0.0005358500000000 ] - [ -0.0003158500000000, 0.0000200600000000, 0.0009799500000000 ] - [ 0.0001144100000000, 0.0000821000000000, -0.0002749900000000 ] - [ 0.0001351700000000, 0.0001344200000000, 0.0007042600000000 ] - [ 0.0002541100000000, -0.0005009200000000, 0.0001134100000000 ] - [ -0.0000327300000000, 0.0001432800000000, -0.0007230600000000 ] - [ -0.0049872100000000, 0.0079289300000000, 0.0010771000000000 ] - [ -0.0000743400000000, -0.0003102900000000, 0.0000974800000000 ] - [ -0.0000312000000000, 0.0002238200000000, -0.0003939100000000 ] - [ 0.0001548900000000, 0.0009368000000000, -0.0003654800000000 ] - [ -0.0002128900000000, -0.0002365700000000, -0.0002262800000000 ] - [ -0.0002185200000000, 0.0001327700000000, 0.0008219900000000 ] - [ -0.0016216800000000, -0.0000226700000000, -0.0000647500000000 ] - [ -0.0023085900000000, -0.0020940400000000, -0.0018154700000000 ] - [ 0.0017223900000000, 0.0014214800000000, -0.0004084900000000 ] - [ -0.0009645800000000, 0.0015100400000000, -0.0006467600000000 ] - [ 0.0000890500000000, 0.0005573200000000, 0.0036544200000000 ] - [ 0.0001034400000000, -0.0006543400000000, 0.0004272300000000 ] - [ -0.0004314300000000, -0.0001544200000000, 0.0005456200000000 ] - [ 0.0002862500000000, 0.0000604300000000, 0.0005129400000000 ] - [ -0.0000728800000000, -0.0004141100000000, 0.0029631300000000 ] - [ 0.0014184700000000, -0.0004396800000000, 0.0012316300000000 ] - [ 0.0002144800000000, -0.0004784200000000, -0.0006518700000000 ] - [ -0.0001132300000000, 0.0015751500000000, 0.0013026100000000 ] - [ 0.0006272000000000, 0.0000430400000000, 0.0023275700000000 ] - [ -0.0001714200000000, -0.0004298000000000, 0.0007125200000000 ] - [ 0.0001846800000000, -0.0000084100000000, -0.0013812000000000 ] - [ -0.0003186400000000, -0.0013800200000000, -0.0023672100000000 ] - [ 0.0994640100000000, -0.0466225400000000, -0.1120866100000000 ] - [ 0.0000347600000000, -0.0001647700000000, 0.0006936100000000 ] - [ 0.0002590600000000, 0.0000474000000000, -0.0007126400000000 ] - [ -0.1295510100000000, 0.0607228700000000, 0.1305005400000000 ] - [ -0.0002385900000000, -0.0000089400000000, -0.0001274800000000 ] - [ 0.0000879600000000, -0.0003679800000000, -0.0011008500000000 ] - [ 0.0008819500000000, 0.0006164800000000, -0.0002640200000000 ] - [ 0.0010436700000000, -0.0000243200000000, -0.0009094300000000 ] - [ 0.0005221200000000, 0.0000247800000000, 0.0006454500000000 ] - [ -0.0055505300000000, 0.0036317700000000, 0.0068545300000000 ] - [ -0.0014390600000000, 0.0002637400000000, -0.0015785500000000 ] - [ -0.0002213700000000, 0.0001554100000000, -0.0008842900000000 ] - [ -0.0000399800000000, -0.0000116500000000, -0.0002265100000000 ] - [ -0.0004317300000000, 0.0004003800000000, 0.0010992900000000 ] - [ 0.0000280700000000, 0.0003803400000000, 0.0003193800000000 ] - [ 0.0000717900000000, -0.0000724500000000, -0.0006307300000000 ] - [ -0.0008680600000000, -0.0002719900000000, 0.0005467800000000 ] - [ -0.0005481900000000, -0.0003407900000000, -0.0003810400000000 ] - [ -0.0004093100000000, 0.0001094000000000, -0.0001283100000000 ] - [ 0.0023898400000000, -0.0007787400000000, 0.0024497000000000 ] - [ 0.0001272600000000, -0.0001207000000000, -0.0004836900000000 ] - [ -0.0001508100000000, -0.0006403800000000, -0.0002233400000000 ] - [ -0.0013060500000000, -0.0006207300000000, -0.0021190300000000 ] - [ -0.0001114600000000, -0.0000699700000000, -0.0003266600000000 ] - [ 0.0002906600000000, -0.0000512100000000, -0.0019284400000000 ] - [ 0.0003206400000000, -0.0016247000000000, -0.0005623700000000 ] - [ -0.0005197700000000, -0.0002642900000000, 0.0005193600000000 ] - [ -0.0007145000000000, -0.0000367200000000, -0.0019403900000000 ] - [ -0.0000918300000000, 0.0002685900000000, -0.0017469000000000 ] - [ -0.0000058600000000, -0.0000419100000000, -0.0002177000000000 ] - [ 0.0001046500000000, -0.0003090600000000, -0.0002812300000000 ] - [ 0.0092866700000000, -0.0183394700000000, -0.0077235100000000 ] - [ -0.0001774000000000, -0.0004751200000000, -0.0000766600000000 ] - [ -0.0004653800000000, 0.0000861200000000, 0.0012099900000000 ] - [ 0.0000465400000000, -0.0003415300000000, -0.0007364800000000 ] - [ -0.0011566000000000, -0.0033194600000000, -0.0003657200000000 ] - [ 0.0000227300000000, -0.0003291700000000, -0.0004483300000000 ] - [ 0.0003028900000000, 0.0003478400000000, -0.0002460100000000 ] - [ 0.0018546600000000, -0.0018066700000000, -0.0015635000000000 ] - [ 0.0001314400000000, 0.0000852800000000, -0.0004608400000000 ] - [ -0.0001219500000000, -0.0000869900000000, -0.0007355800000000 ] - [ 0.0000106100000000, 0.0000953900000000, -0.0002063000000000 ] - [ 0.0002890000000000, 0.0001627000000000, 0.0002819800000000 ] - [ -0.0000438000000000, 0.0000088600000000, 0.0011864100000000 ] - [ 0.0006232200000000, -0.0003659000000000, -0.0000902800000000 ] - [ 0.0000935700000000, 0.0001271900000000, -0.0004660300000000 ] - [ 0.0004383400000000, -0.0000430400000000, 0.0001070200000000 ] - [ 0.0003202200000000, 0.0004642800000000, -0.0003437200000000 ] - [ 0.0002380000000000, -0.0004656700000000, 0.0004572900000000 ] - [ 0.0001940900000000, -0.0006761100000000, -0.0010205700000000 ] - [ -0.0000640900000000, 0.0002961200000000, 0.0002088600000000 ] - [ -0.0000376300000000, -0.0000690600000000, 0.0004059400000000 ] - [ 0.0000054800000000, 0.0004576500000000, 0.0007294600000000 ] - [ 0.0001523900000000, 0.0013091100000000, -0.0004929300000000 ] - [ -0.0004933500000000, 0.0002195300000000, 0.0008368800000000 ] - [ -0.0001594700000000, 0.0000998700000000, 0.0000950300000000 ] - [ -0.0006338800000000, 0.0000468500000000, -0.0003857700000000 ] - [ -0.0005240400000000, 0.0005930700000000, -0.0019363700000000 ] - [ 0.0001018300000000, -0.0000508900000000, -0.0003290600000000 ] - [ -0.0001772400000000, -0.0001953200000000, 0.0001075200000000 ] - [ 0.0003393000000000, -0.0009827200000000, 0.0015863500000000 ] - [ 0.0014257000000000, 0.0007045300000000, 0.0004735000000000 ] - [ 0.0003423300000000, 0.0001798800000000, 0.0002106700000000 ] - [ 0.0004393000000000, 0.0005853900000000, 0.0019497400000000 ] - [ -0.0003153700000000, 0.0002657600000000, -0.0001689200000000 ] - [ 0.0021906100000000, 0.0024374900000000, -0.0006366400000000 ] - [ -0.0002646600000000, -0.0002716500000000, -0.0018584500000000 ] - [ 0.0001135600000000, -0.0000632600000000, -0.0015482900000000 ] - [ -0.0001798800000000, -0.0006193000000000, 0.0005318300000000 ] - [ 0.0216577000000000, 0.0005707200000000, -0.0075586800000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004020000000000, -0.0001064000000000, 0.0017199600000000 ] - [ -0.0030258500000000, 0.0007449400000000, 0.0007615000000000 ] - [ 0.0000922400000000, 0.0003587700000000, 0.0004807400000000 ] - [ -0.0001164000000000, 0.0001040100000000, -0.0000371500000000 ] - [ 0.0000263600000000, 0.0016332700000000, -0.0004542100000000 ] - [ -0.0007194500000000, 0.0000581000000000, -0.0001430600000000 ] - [ 0.0001281700000000, 0.0000845500000000, -0.0001187200000000 ] - [ 0.0004990400000000, -0.0003322500000000, -0.0002857400000000 ] - [ -0.0001013000000000, -0.0000855000000000, 0.0002229300000000 ] - [ 0.0002518100000000, -0.0004089200000000, -0.0001894700000000 ] - [ -0.0030992900000000, 0.0009132300000000, -0.0002407600000000 ] - [ 0.0058756400000000, 0.0006649600000000, 0.0043920100000000 ] - [ -0.0002959000000000, -0.0002642200000000, 0.0001747600000000 ] - [ -0.0001189100000000, -0.0001166100000000, 0.0000944700000000 ] - [ 0.0003491800000000, -0.0002672600000000, -0.0000298100000000 ] - [ 0.0001397800000000, -0.0000754700000000, 0.0000526600000000 ] - [ -0.0004442300000000, -0.0000143200000000, -0.0000903500000000 ] - [ -0.0009679400000000, -0.0011164000000000, 0.0009851800000000 ] - [ -0.0001547900000000, 0.0000927200000000, 0.0000299800000000 ] - [ -0.0001230200000000, 0.0001336300000000, -0.0001034000000000 ] - [ -0.0019028100000000, -0.0015635400000000, 0.0011360500000000 ] - [ -0.0003221200000000, 0.0000116400000000, 0.0001830200000000 ] - [ -0.0000935500000000, -0.0002117300000000, 0.0002642900000000 ] - [ 0.0006785900000000, -0.0014860300000000, -0.0003093500000000 ] - [ 0.0003498800000000, -0.0002602300000000, 0.0000074700000000 ] - [ -0.0001875700000000, 0.0001224900000000, 0.0000754000000000 ] - [ -0.0003726900000000, -0.0002003100000000, 0.0000368100000000 ] - [ 0.0001948700000000, -0.0009237700000000, -0.0019343500000000 ] - [ 0.0060051400000000, -0.0016699500000000, -0.0002295100000000 ] - [ 0.0010910900000000, 0.0010393100000000, -0.0016834900000000 ] - [ -0.0005142000000000, 0.0001438200000000, 0.0004447100000000 ] - [ 0.0003653400000000, 0.0003741600000000, 0.0002453600000000 ] - [ -0.0024059900000000, -0.0003909700000000, -0.0014158300000000 ] - [ 0.0015109000000000, -0.0016120300000000, -0.0008751700000000 ] - [ 0.0007531100000000, -0.0002076700000000, 0.0011418700000000 ] - [ 0.0001019700000000, 0.0007702200000000, 0.0021260300000000 ] - [ 0.0006837500000000, -0.0008733500000000, 0.0002979700000000 ] - [ -0.0007841300000000, 0.0000990900000000, -0.0000160100000000 ] - [ -0.0002248500000000, -0.0001389800000000, -0.0000056000000000 ] - [ -0.0001688100000000, -0.0001255500000000, -0.0001021100000000 ] - [ -0.0015760100000000, 0.0006474200000000, 0.0003123800000000 ] - [ 0.0876422300000000, 0.0405398000000000, -0.0509241800000000 ] - [ 0.0002546200000000, -0.0001476100000000, 0.0006956900000000 ] - [ -0.0001198200000000, -0.0001663700000000, 0.0000974700000000 ] - [ -0.0007039600000000, 0.0011696500000000, 0.0005876500000000 ] - [ -0.0006221000000000, -0.0010009900000000, -0.0005178900000000 ] - [ 0.0005897000000000, 0.0008007400000000, -0.0002781300000000 ] - [ 0.0010485000000000, -0.0000299900000000, 0.0001220300000000 ] - [ -0.0002208800000000, -0.0003937300000000, -0.0012702800000000 ] - [ 0.0000342700000000, -0.0003473000000000, 0.0000221500000000 ] - [ -0.0013474400000000, -0.0001881800000000, 0.0006242300000000 ] - [ -0.0004988600000000, -0.0011789300000000, -0.0001107300000000 ] - [ 0.0006585800000000, -0.0002775700000000, -0.0005894000000000 ] - [ 0.0009326500000000, 0.0002395900000000, -0.0005275100000000 ] - [ -0.0025031300000000, -0.0003568200000000, 0.0010521500000000 ] - [ 0.0789376100000000, 0.0584399400000000, 0.0006413000000000 ] - [ 0.0124817500000000, 0.0120037100000000, -0.0011600800000000 ] - [ -0.0006371700000000, 0.0000765500000000, 0.0009384500000000 ] - [ -0.0023826400000000, 0.0004652200000000, 0.0001355500000000 ] - [ 0.0002492300000000, -0.0008317300000000, -0.0001307500000000 ] - [ -0.0007360100000000, 0.0000459300000000, 0.0003385600000000 ] - [ -0.0013830400000000, 0.0000075400000000, 0.0005857400000000 ] - [ -0.0010839200000000, 0.0005312100000000, -0.0003998300000000 ] - [ 0.0006580000000000, -0.0008759900000000, 0.0003516900000000 ] - [ -0.0013688300000000, -0.0000866700000000, 0.0000479800000000 ] - [ 0.0003040500000000, -0.0001449900000000, 0.0001873900000000 ] - [ -0.2192020300000000, -0.1452031800000000, 0.0734149200000000 ] - [ 0.0002256000000000, 0.0006717500000000, -0.0012401200000000 ] - [ -0.0003856200000000, 0.0001000500000000, 0.0002041800000000 ] - [ -0.0012476700000000, -0.0010084500000000, -0.0000675600000000 ] - [ -0.0002899700000000, -0.0001185800000000, -0.0002113800000000 ] - [ 0.0009445200000000, -0.0005297700000000, -0.0001155600000000 ] - [ 0.0245065000000000, 0.0165519300000000, 0.0084310400000000 ] - [ 0.0001437100000000, 0.0148345600000000, -0.0075195000000000 ] - [ -0.0003393100000000, 0.0003919800000000, -0.0000490700000000 ] - [ 0.0005067600000000, 0.0002230800000000, -0.0005112600000000 ] - [ -0.0002623800000000, -0.0000850600000000, -0.0001447000000000 ] - [ -0.0003112800000000, 0.0005986700000000, -0.0001079700000000 ] - [ 0.0001656300000000, 0.0000559200000000, -0.0003593200000000 ] - [ -0.0000613400000000, -0.0007469000000000, 0.0007884400000000 ] - [ -0.0096988100000000, 0.0018233800000000, 0.0054568500000000 ] - [ 0.0008299100000000, -0.0000889700000000, 0.0001285000000000 ] - [ -0.0007607900000000, 0.0002923100000000, -0.0002312000000000 ] - [ 0.0002482200000000, 0.0005153200000000, -0.0004123600000000 ] - [ 0.0006427700000000, -0.0000238200000000, -0.0000816800000000 ] - [ -0.0008409100000000, -0.0008566900000000, 0.0000165400000000 ] - [ 0.0014242100000000, -0.0005423800000000, -0.0001448300000000 ] - [ -0.0000838200000000, 0.0000452300000000, -0.0004411200000000 ] - [ -0.0003892100000000, 0.0002486400000000, 0.0001787700000000 ] - [ 0.0011660200000000, -0.0002986000000000, 0.0002700500000000 ] - [ 0.0009630900000000, -0.0000657200000000, -0.0004154400000000 ] - [ -0.0007810400000000, 0.0005459500000000, 0.0002432300000000 ] - [ 0.0001163600000000, -0.0001671300000000, -0.0003141600000000 ] - [ 0.0008292000000000, -0.0003445600000000, 0.0003495200000000 ] - [ 0.0002395200000000, 0.0003516800000000, 0.0003160300000000 ] - [ 0.0008842500000000, 0.0002125200000000, -0.0008271500000000 ] - [ 0.0006577600000000, 0.0008785000000000, 0.0002089200000000 ] - [ 0.0005716900000000, 0.0002369100000000, 0.0001993500000000 ] - [ 0.0216968700000000, 0.0169588700000000, -0.0056209100000000 ] - [ -0.0001749000000000, 0.0001523700000000, 0.0001664300000000 ] - [ 0.0017681500000000, -0.0004104400000000, 0.0002019200000000 ] - [ 0.0000592600000000, 0.0006618500000000, 0.0003664900000000 ] - [ 0.0016166800000000, -0.0009237300000000, 0.0004791900000000 ] - [ -0.0000967400000000, 0.0003250700000000, 0.0000921300000000 ] - [ -0.0000779400000000, 0.0003572700000000, -0.0003651300000000 ] - [ 0.0005853500000000, 0.0000512900000000, 0.0001339700000000 ] - [ -0.0001258100000000, 0.0002570800000000, -0.0003294400000000 ] - [ 0.0007669800000000, 0.0004048400000000, 0.0002299100000000 ] - [ 0.0072502300000000, -0.0112775000000000, -0.0224232500000000 ] - [ -0.0003074100000000, 0.0003229800000000, 0.0005350500000000 ] - [ -0.0000195900000000, 0.0005158900000000, -0.0002667200000000 ] - [ 0.0006005800000000, -0.0002113900000000, -0.0004017100000000 ] - [ -0.0008526200000000, -0.0026809400000000, 0.0001292500000000 ] - [ 0.0004298900000000, 0.0003297000000000, -0.0000207600000000 ] - [ 0.0003163500000000, -0.0002593100000000, -0.0003099200000000 ] - [ 0.0003884400000000, 0.0012950200000000, 0.0001184500000000 ] - [ -0.0033987900000000, -0.0016941100000000, -0.0006598900000000 ] - [ -0.0000261100000000, 0.0002985200000000, 0.0002430100000000 ] - [ -0.0076694200000000, 0.0032055500000000, -0.0056836800000000 ] - [ 0.0011303200000000, -0.0000780000000000, -0.0002095500000000 ] - [ 0.0007596400000000, 0.0003074600000000, 0.0003399200000000 ] - [ 0.0001491400000000, 0.0001517200000000, -0.0005642800000000 ] - [ -0.0004004200000000, 0.0002616200000000, 0.0004876800000000 ] - [ -0.0005229000000000, -0.0000390300000000, 0.0000699700000000 ] - [ 0.0002600900000000, -0.0003583700000000, 0.0001540000000000 ] - [ -0.0005516700000000, 0.0000215600000000, 0.0000345000000000 ] - [ -0.0001241100000000, 0.0004672700000000, 0.0003341500000000 ] - [ -0.0005778000000000, -0.0002098100000000, -0.0005184500000000 ] - [ 0.0018469200000000, 0.0002480900000000, -0.0004243700000000 ] - [ 0.0017195700000000, -0.0004805700000000, -0.0014726700000000 ] - [ -0.0000369700000000, 0.0001770900000000, 0.0002627200000000 ] - [ 0.0012447500000000, -0.0004843600000000, 0.0004392500000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003843400000000, 0.0001509000000000, -0.0016100100000000 ] - [ 0.0028753000000000, -0.0006488100000000, -0.0005944100000000 ] - [ -0.0001265000000000, -0.0001462800000000, -0.0004727600000000 ] - [ -0.0000779600000000, 0.0001128700000000, 0.0000100500000000 ] - [ -0.0002130500000000, -0.0018440300000000, 0.0004839400000000 ] - [ 0.0007548400000000, 0.0001576600000000, 0.0001340900000000 ] - [ -0.0004063200000000, -0.0002487900000000, -0.0001866600000000 ] - [ -0.0003530500000000, 0.0002385100000000, 0.0001219700000000 ] - [ -0.0000900300000000, 0.0003027600000000, -0.0001974100000000 ] - [ -0.0002635100000000, 0.0003593300000000, 0.0000748100000000 ] - [ 0.0031203200000000, -0.0009639500000000, 0.0001247400000000 ] - [ -0.0058147000000000, -0.0007197300000000, -0.0041343800000000 ] - [ 0.0002818600000000, 0.0002153200000000, -0.0000587500000000 ] - [ 0.0002672100000000, 0.0000229400000000, 0.0000682200000000 ] - [ -0.0000735900000000, 0.0001040200000000, -0.0002769400000000 ] - [ -0.0001528600000000, 0.0001237900000000, -0.0001695300000000 ] - [ 0.0002971600000000, -0.0000790600000000, 0.0002518300000000 ] - [ 0.0009403600000000, 0.0013284400000000, -0.0009901800000000 ] - [ 0.0003477000000000, 0.0001249900000000, -0.0000025600000000 ] - [ 0.0000905400000000, -0.0003461200000000, 0.0000924400000000 ] - [ 0.0017074200000000, 0.0013506000000000, -0.0011685900000000 ] - [ 0.0005991500000000, 0.0001531100000000, 0.0001223800000000 ] - [ 0.0003706700000000, 0.0000471900000000, 0.0000410100000000 ] - [ -0.0004047100000000, 0.0016419100000000, 0.0000068300000000 ] - [ -0.0002022500000000, 0.0003529800000000, -0.0001701900000000 ] - [ 0.0002003100000000, -0.0000743400000000, -0.0001920600000000 ] - [ 0.0005213900000000, 0.0002930700000000, 0.0001270400000000 ] - [ -0.0002367000000000, 0.0007135300000000, 0.0019466700000000 ] - [ -0.0064391700000000, 0.0020127700000000, -0.0000504000000000 ] - [ -0.0012530900000000, -0.0011389100000000, 0.0015218200000000 ] - [ 0.0002392300000000, -0.0003073600000000, -0.0001386700000000 ] - [ -0.0001722700000000, -0.0001579900000000, -0.0002744800000000 ] - [ 0.0021241900000000, 0.0005532500000000, 0.0017156500000000 ] - [ -0.0013130000000000, 0.0013938700000000, 0.0008490000000000 ] - [ -0.0007184600000000, 0.0004195900000000, -0.0011278400000000 ] - [ -0.0002527600000000, -0.0006744900000000, -0.0022940200000000 ] - [ -0.0006542200000000, 0.0006687000000000, -0.0002904200000000 ] - [ 0.0009775700000000, -0.0003182600000000, 0.0000434600000000 ] - [ 0.0002580900000000, -0.0000751400000000, -0.0000054100000000 ] - [ 0.0001550100000000, 0.0001744300000000, 0.0002186600000000 ] - [ 0.0014769200000000, -0.0002165000000000, 0.0003273400000000 ] - [ -0.0849891200000000, -0.0384480100000000, 0.0471313900000000 ] - [ -0.0001500800000000, 0.0006286100000000, -0.0002964100000000 ] - [ 0.0002180700000000, 0.0006476900000000, -0.0004966200000000 ] - [ 0.0008128000000000, -0.0007438000000000, 0.0000465300000000 ] - [ 0.0003141000000000, 0.0010595600000000, 0.0007950400000000 ] - [ -0.0006893000000000, -0.0003197200000000, -0.0001261100000000 ] - [ -0.0007411300000000, -0.0000344100000000, -0.0004069800000000 ] - [ 0.0003152300000000, -0.0000431100000000, 0.0006395800000000 ] - [ -0.0003448500000000, 0.0002845900000000, -0.0003022300000000 ] - [ 0.0012485300000000, -0.0002437500000000, 0.0000095000000000 ] - [ 0.0005979500000000, 0.0006977300000000, -0.0002886700000000 ] - [ -0.0007524100000000, 0.0007112900000000, -0.0000463600000000 ] - [ -0.0012477800000000, -0.0001829000000000, 0.0002536000000000 ] - [ 0.0024035500000000, -0.0001226500000000, -0.0006581400000000 ] - [ -0.0804667400000000, -0.0620418200000000, -0.0010491000000000 ] - [ -0.0125091200000000, -0.0124025200000000, 0.0004501000000000 ] - [ 0.0007316600000000, 0.0003590100000000, -0.0015726900000000 ] - [ 0.0026923700000000, -0.0003977700000000, 0.0001421600000000 ] - [ -0.0001489000000000, 0.0003959100000000, 0.0007636400000000 ] - [ 0.0004300000000000, -0.0001084900000000, -0.0000611800000000 ] - [ 0.0016961300000000, -0.0000695300000000, -0.0003064500000000 ] - [ 0.0009842500000000, -0.0000503800000000, 0.0008040100000000 ] - [ -0.0005548000000000, 0.0003925600000000, 0.0000485600000000 ] - [ 0.0015744700000000, -0.0000833700000000, -0.0003615500000000 ] - [ -0.0005981000000000, 0.0004211100000000, -0.0004074000000000 ] - [ 0.2184598500000000, 0.1462948900000000, -0.0690917000000000 ] - [ -0.0004292400000000, -0.0008388700000000, 0.0009291100000000 ] - [ 0.0004251500000000, -0.0001432500000000, -0.0001196400000000 ] - [ 0.0010895000000000, 0.0004746100000000, -0.0001951300000000 ] - [ -0.0000072000000000, 0.0003941800000000, 0.0004328500000000 ] - [ -0.0008308000000000, 0.0004490700000000, -0.0005190600000000 ] - [ -0.0252478500000000, -0.0168855600000000, -0.0088063400000000 ] - [ 0.0000644700000000, -0.0151467300000000, 0.0080413000000000 ] - [ 0.0001575200000000, -0.0006144500000000, 0.0000384800000000 ] - [ -0.0003996500000000, -0.0000040600000000, 0.0000278600000000 ] - [ 0.0000793300000000, 0.0003116300000000, 0.0001348400000000 ] - [ 0.0001935100000000, -0.0005137300000000, -0.0005249500000000 ] - [ -0.0002752600000000, 0.0001626700000000, -0.0001241500000000 ] - [ 0.0000231900000000, 0.0007953900000000, -0.0007106900000000 ] - [ 0.0097755900000000, -0.0016398200000000, -0.0052741100000000 ] - [ -0.0007908800000000, 0.0000453700000000, -0.0002137800000000 ] - [ 0.0010544800000000, -0.0005661300000000, 0.0000111500000000 ] - [ -0.0004275800000000, -0.0002911900000000, 0.0004237000000000 ] - [ -0.0004346100000000, 0.0001902100000000, 0.0003899400000000 ] - [ 0.0007351100000000, 0.0006426200000000, 0.0004713900000000 ] - [ -0.0013177500000000, 0.0003187500000000, -0.0003422700000000 ] - [ 0.0000447500000000, -0.0000876400000000, 0.0005248900000000 ] - [ 0.0001860300000000, -0.0000816000000000, -0.0004881200000000 ] - [ -0.0011250900000000, 0.0003409400000000, -0.0003507600000000 ] - [ -0.0007813600000000, -0.0001606700000000, 0.0004074600000000 ] - [ 0.0010897100000000, -0.0005903700000000, -0.0004290900000000 ] - [ 0.0000417100000000, -0.0003668200000000, 0.0000481600000000 ] - [ -0.0006468000000000, 0.0005695600000000, -0.0003632200000000 ] - [ -0.0004181700000000, -0.0005752700000000, -0.0003061500000000 ] - [ -0.0011944500000000, -0.0001672800000000, 0.0010077900000000 ] - [ -0.0007657300000000, -0.0010938100000000, -0.0006942800000000 ] - [ -0.0005687600000000, -0.0002335800000000, -0.0002010700000000 ] - [ -0.0216164000000000, -0.0169100900000000, 0.0057564700000000 ] - [ 0.0001731200000000, -0.0001527200000000, -0.0001651300000000 ] - [ -0.0015611400000000, 0.0002459000000000, 0.0001050600000000 ] - [ -0.0001010100000000, -0.0006142300000000, -0.0004462600000000 ] - [ -0.0019233700000000, 0.0008761300000000, -0.0002948000000000 ] - [ 0.0002523300000000, 0.0002078800000000, 0.0001733900000000 ] - [ 0.0003715800000000, -0.0000832600000000, 0.0001486400000000 ] - [ -0.0002827700000000, -0.0000057600000000, 0.0000470100000000 ] - [ 0.0004316000000000, -0.0002117300000000, 0.0001485900000000 ] - [ -0.0004721600000000, -0.0006803900000000, -0.0000108700000000 ] - [ -0.0070254900000000, 0.0109673700000000, 0.0221642100000000 ] - [ 0.0004875600000000, -0.0000982400000000, -0.0005216300000000 ] - [ 0.0001729400000000, -0.0010468600000000, 0.0005310600000000 ] - [ -0.0005990400000000, 0.0002095700000000, 0.0004029700000000 ] - [ 0.0008351500000000, 0.0026833400000000, -0.0001204000000000 ] - [ -0.0001311300000000, -0.0000528500000000, 0.0002375500000000 ] - [ -0.0003611900000000, 0.0002151300000000, 0.0002305900000000 ] - [ -0.0002283500000000, -0.0007646900000000, -0.0003837400000000 ] - [ 0.0035988100000000, 0.0018540300000000, 0.0003632700000000 ] - [ -0.0001832700000000, -0.0001313900000000, 0.0000662000000000 ] - [ 0.0074059600000000, -0.0027937800000000, 0.0055322400000000 ] - [ -0.0012873500000000, 0.0006110500000000, 0.0004786600000000 ] - [ -0.0004559000000000, -0.0003518200000000, -0.0001579200000000 ] - [ -0.0002669500000000, -0.0002344900000000, -0.0000676500000000 ] - [ 0.0002943800000000, -0.0000414000000000, 0.0000009100000000 ] - [ 0.0006385400000000, -0.0000424000000000, 0.0005666200000000 ] - [ -0.0004717100000000, 0.0001925500000000, 0.0001531700000000 ] - [ 0.0006631400000000, 0.0002002200000000, 0.0004594500000000 ] - [ 0.0000107700000000, -0.0003829800000000, 0.0002992300000000 ] - [ 0.0002756400000000, 0.0002560300000000, 0.0003395300000000 ] - [ -0.0017324800000000, -0.0001678300000000, -0.0002060800000000 ] - [ -0.0020178200000000, 0.0002062200000000, 0.0012590100000000 ] - [ -0.0000779100000000, -0.0002593300000000, 0.0003714700000000 ] - [ -0.0014042700000000, -0.0000508000000000, -0.0001757300000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001435000000000, 0.0011790300000000, 0.0014129300000000 ] - [ -0.0010968100000000, 0.0011925800000000, 0.0005266200000000 ] - [ 0.0002395000000000, 0.0000247400000000, -0.0004620900000000 ] - [ 0.0000378300000000, 0.0000409400000000, 0.0001497600000000 ] - [ 0.0020578900000000, -0.0003272700000000, 0.0003124300000000 ] - [ -0.0001999200000000, 0.0001207100000000, -0.0001475100000000 ] - [ -0.0001793200000000, 0.0003239700000000, -0.0001654700000000 ] - [ 0.0001582900000000, -0.0010743000000000, -0.0003488900000000 ] - [ -0.0002173600000000, -0.0000448100000000, 0.0002784800000000 ] - [ 0.0000241500000000, -0.0009821500000000, -0.0001634600000000 ] - [ -0.0011482600000000, 0.0010791000000000, -0.0000705100000000 ] - [ 0.0004573700000000, 0.0023742000000000, -0.0017493800000000 ] - [ -0.0001361200000000, -0.0005505300000000, 0.0000217700000000 ] - [ 0.0000100600000000, -0.0002396300000000, 0.0000809700000000 ] - [ 0.0002716500000000, -0.0005166800000000, 0.0000583800000000 ] - [ 0.0001286700000000, -0.0002566200000000, 0.0000383400000000 ] - [ -0.0001507300000000, 0.0001761000000000, 0.0000265000000000 ] - [ -0.0012751100000000, -0.0009042500000000, 0.0007137600000000 ] - [ -0.0000456200000000, 0.0001462900000000, 0.0000341100000000 ] - [ 0.0000743200000000, 0.0000629000000000, 0.0000794900000000 ] - [ -0.0021988400000000, -0.0010109200000000, 0.0004646500000000 ] - [ 0.0000121600000000, -0.0002221300000000, 0.0002438300000000 ] - [ 0.0000349400000000, -0.0003472200000000, 0.0002589000000000 ] - [ -0.0000190000000000, -0.0031465200000000, 0.0000346800000000 ] - [ 0.0001350300000000, -0.0007127400000000, -0.0001163500000000 ] - [ -0.0000493200000000, 0.0002324800000000, -0.0000052200000000 ] - [ -0.0000784400000000, -0.0004356700000000, 0.0000934600000000 ] - [ -0.0009879500000000, -0.0003178300000000, -0.0016108900000000 ] - [ -0.0029474900000000, 0.0058220100000000, -0.0012012800000000 ] - [ 0.0015065700000000, 0.0017479900000000, 0.0004494500000000 ] - [ -0.0001351300000000, 0.0003090900000000, 0.0001548200000000 ] - [ 0.0002932800000000, 0.0000622900000000, -0.0003922300000000 ] - [ -0.0016416800000000, 0.0000368700000000, -0.0010694400000000 ] - [ -0.0000225900000000, -0.0025581100000000, -0.0013247900000000 ] - [ 0.0006607400000000, -0.0006271700000000, 0.0017394100000000 ] - [ -0.0001639300000000, 0.0019670900000000, 0.0009099400000000 ] - [ 0.0006011100000000, -0.0020369300000000, 0.0010806200000000 ] - [ 0.0002528700000000, -0.0004073400000000, -0.0000730400000000 ] - [ -0.0000747600000000, -0.0002350800000000, -0.0000849900000000 ] - [ -0.0000828600000000, -0.0003017700000000, -0.0000175700000000 ] - [ -0.0004533900000000, 0.0007379200000000, 0.0007517400000000 ] - [ 0.0366445600000000, 0.0609587600000000, -0.0319603500000000 ] - [ 0.0001768100000000, -0.0014239800000000, 0.0001935600000000 ] - [ -0.0000216100000000, -0.0006193400000000, -0.0000874000000000 ] - [ 0.0016722600000000, -0.0021645700000000, -0.0005348700000000 ] - [ -0.0002502800000000, -0.0013106400000000, -0.0004345300000000 ] - [ 0.0003597500000000, 0.0015432600000000, 0.0003038000000000 ] - [ 0.0004738600000000, 0.0008263900000000, 0.0004643000000000 ] - [ 0.0011550000000000, -0.0014665600000000, 0.0001774700000000 ] - [ -0.0002941900000000, -0.0006703700000000, -0.0000518900000000 ] - [ -0.0007053000000000, 0.0004851400000000, 0.0006076500000000 ] - [ -0.0003014300000000, -0.0022276900000000, 0.0000407300000000 ] - [ -0.0008976100000000, 0.0004520400000000, -0.0016611200000000 ] - [ 0.0003869000000000, -0.0025503500000000, -0.0001488400000000 ] - [ -0.0002502900000000, 0.0010754800000000, -0.0000732300000000 ] - [ 0.0601500000000000, 0.1127718600000000, 0.0029568800000000 ] - [ 0.0108930900000000, 0.0074462000000000, -0.0124730000000000 ] - [ -0.0009672600000000, -0.0000358600000000, 0.0010289900000000 ] - [ -0.0004514900000000, 0.0011236800000000, 0.0002803600000000 ] - [ 0.0000710800000000, -0.0012877900000000, -0.0000727800000000 ] - [ -0.0000859000000000, -0.0006531700000000, -0.0002353900000000 ] - [ -0.0006814800000000, 0.0002171200000000, 0.0006691400000000 ] - [ -0.0003845300000000, 0.0011838000000000, 0.0000511100000000 ] - [ 0.0010111300000000, -0.0017494500000000, 0.0006698400000000 ] - [ 0.0001685300000000, -0.0002081100000000, 0.0020111700000000 ] - [ 0.0000989100000000, -0.0005136900000000, -0.0000569700000000 ] - [ -0.1435630300000000, -0.2270842100000000, 0.0470997700000000 ] - [ 0.0006458500000000, 0.0009577800000000, -0.0013130800000000 ] - [ -0.0000455500000000, -0.0000484500000000, 0.0004942500000000 ] - [ -0.0007420900000000, -0.0012544000000000, -0.0007702400000000 ] - [ -0.0002878600000000, -0.0004475500000000, -0.0002032200000000 ] - [ 0.0005454500000000, -0.0006009300000000, -0.0002931300000000 ] - [ 0.0115502200000000, -0.0018029000000000, 0.0040053700000000 ] - [ 0.0131099400000000, 0.0163626700000000, -0.0120229300000000 ] - [ -0.0002736800000000, 0.0009213800000000, -0.0002198800000000 ] - [ 0.0002898500000000, 0.0001452900000000, -0.0004930000000000 ] - [ -0.0003044100000000, 0.0014878000000000, 0.0005136300000000 ] - [ -0.0006117400000000, 0.0010428600000000, -0.0000997000000000 ] - [ -0.0000648900000000, 0.0001909800000000, -0.0001613300000000 ] - [ -0.0005148100000000, 0.0015858700000000, -0.0003160000000000 ] - [ -0.0006850800000000, 0.0218421500000000, 0.0197378100000000 ] - [ 0.0003008300000000, -0.0001284100000000, -0.0002732200000000 ] - [ -0.0008886900000000, 0.0011101300000000, -0.0006848800000000 ] - [ 0.0002815200000000, 0.0007831700000000, -0.0004700300000000 ] - [ 0.0003185300000000, -0.0002161700000000, -0.0000267100000000 ] - [ -0.0004192400000000, 0.0014459900000000, 0.0004776700000000 ] - [ 0.0002443100000000, -0.0007776300000000, -0.0003046300000000 ] - [ 0.0000679800000000, 0.0001151500000000, -0.0004231300000000 ] - [ -0.0006714200000000, 0.0007581600000000, -0.0004380200000000 ] - [ 0.0005291500000000, -0.0003897600000000, -0.0000392100000000 ] - [ 0.0005011400000000, -0.0010003700000000, 0.0001171500000000 ] - [ -0.0000906600000000, 0.0018003200000000, 0.0001107000000000 ] - [ 0.0000163400000000, 0.0002382200000000, -0.0000686100000000 ] - [ 0.0001705300000000, -0.0006029900000000, -0.0001275900000000 ] - [ -0.0002604600000000, 0.0012256900000000, 0.0002972100000000 ] - [ 0.0005688800000000, -0.0002302800000000, -0.0005766100000000 ] - [ 0.0003365800000000, 0.0009082000000000, 0.0002093400000000 ] - [ -0.0001381100000000, 0.0001676000000000, -0.0001930400000000 ] - [ 0.0205825500000000, 0.0045094400000000, -0.0036352400000000 ] - [ 0.0003876600000000, 0.0004537200000000, 0.0003744900000000 ] - [ 0.0008965500000000, -0.0005427100000000, 0.0000308500000000 ] - [ 0.0001045700000000, 0.0007184600000000, 0.0003168000000000 ] - [ 0.0000860700000000, -0.0009907800000000, 0.0001910500000000 ] - [ -0.0002378700000000, 0.0006631300000000, -0.0000665300000000 ] - [ 0.0003417100000000, 0.0009543200000000, -0.0003324500000000 ] - [ 0.0001478800000000, 0.0003023900000000, 0.0001722700000000 ] - [ 0.0001000900000000, 0.0005510700000000, -0.0003525700000000 ] - [ 0.0004455400000000, 0.0006955500000000, 0.0002635200000000 ] - [ -0.0060687700000000, -0.0101364000000000, 0.0041020000000000 ] - [ 0.0002928800000000, -0.0007390500000000, 0.0003265800000000 ] - [ 0.0000331300000000, 0.0009739700000000, -0.0002674500000000 ] - [ 0.0006186000000000, -0.0003715200000000, -0.0003752400000000 ] - [ -0.0035308400000000, 0.0011469900000000, 0.0018839900000000 ] - [ 0.0003129700000000, 0.0005056000000000, -0.0000045200000000 ] - [ -0.0006745900000000, 0.0003878600000000, 0.0006722700000000 ] - [ 0.0008148800000000, 0.0016541100000000, -0.0000234100000000 ] - [ -0.0008642400000000, -0.0025007600000000, 0.0031829200000000 ] - [ -0.0000284800000000, 0.0004813700000000, 0.0002650500000000 ] - [ 0.0061498700000000, 0.0110947400000000, -0.0238239900000000 ] - [ 0.0001669800000000, -0.0001349200000000, 0.0003574800000000 ] - [ 0.0004323300000000, 0.0005132200000000, 0.0003431100000000 ] - [ 0.0001365000000000, 0.0006121900000000, -0.0004016200000000 ] - [ -0.0000533800000000, 0.0004405400000000, 0.0005569400000000 ] - [ 0.0000559400000000, -0.0007585100000000, -0.0001320500000000 ] - [ -0.0006386000000000, 0.0007108800000000, 0.0002907000000000 ] - [ -0.0004251100000000, -0.0001145500000000, -0.0006864800000000 ] - [ -0.0004829900000000, 0.0018256000000000, 0.0002346500000000 ] - [ -0.0004654900000000, -0.0005084200000000, -0.0004714800000000 ] - [ 0.0002620300000000, -0.0007887600000000, -0.0004285800000000 ] - [ -0.0009035200000000, -0.0014470800000000, 0.0006365700000000 ] - [ 0.0001613100000000, 0.0005298200000000, 0.0003375600000000 ] - [ 0.0004496700000000, -0.0007797000000000, 0.0003415300000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001552200000000, -0.0011283300000000, -0.0013090100000000 ] - [ 0.0009616000000000, -0.0010993700000000, -0.0003646800000000 ] - [ -0.0002724600000000, 0.0001881900000000, 0.0004699100000000 ] - [ -0.0002304400000000, 0.0001770600000000, -0.0001769300000000 ] - [ -0.0022618900000000, 0.0001047500000000, -0.0002837700000000 ] - [ 0.0002338300000000, 0.0000908100000000, 0.0001377100000000 ] - [ -0.0000976000000000, -0.0004883800000000, -0.0001405600000000 ] - [ -0.0000108100000000, 0.0009837500000000, 0.0001891200000000 ] - [ 0.0000241600000000, 0.0002632300000000, -0.0002519000000000 ] - [ -0.0000400400000000, 0.0009355700000000, 0.0000485900000000 ] - [ 0.0011615500000000, -0.0011246000000000, -0.0000432200000000 ] - [ -0.0004850600000000, -0.0024146400000000, 0.0018211700000000 ] - [ 0.0001241900000000, 0.0005029700000000, 0.0000940800000000 ] - [ 0.0001383100000000, 0.0001462400000000, 0.0000820100000000 ] - [ 0.0000038900000000, 0.0003540700000000, -0.0003638800000000 ] - [ -0.0001431000000000, 0.0003055000000000, -0.0001551200000000 ] - [ 0.0000042600000000, -0.0002690000000000, 0.0001373800000000 ] - [ 0.0012441300000000, 0.0011220600000000, -0.0007260300000000 ] - [ 0.0002391000000000, 0.0000704100000000, -0.0000073800000000 ] - [ -0.0001072900000000, -0.0002777300000000, -0.0000892100000000 ] - [ 0.0020142600000000, 0.0007946100000000, -0.0004888100000000 ] - [ 0.0002647300000000, 0.0003857500000000, 0.0000616900000000 ] - [ 0.0002421400000000, 0.0001843300000000, 0.0000458900000000 ] - [ 0.0002970100000000, 0.0033248100000000, -0.0003425400000000 ] - [ 0.0000124200000000, 0.0008080600000000, -0.0000478000000000 ] - [ 0.0000635800000000, -0.0001839400000000, -0.0001117700000000 ] - [ 0.0002272600000000, 0.0005301000000000, 0.0000701300000000 ] - [ 0.0009614900000000, 0.0001009600000000, 0.0016245200000000 ] - [ 0.0024827400000000, -0.0055166800000000, 0.0009142900000000 ] - [ -0.0016596900000000, -0.0018398700000000, -0.0006168600000000 ] - [ -0.0001401200000000, -0.0004741100000000, 0.0001484800000000 ] - [ -0.0001018000000000, 0.0001530600000000, 0.0003648200000000 ] - [ 0.0013711200000000, 0.0001299400000000, 0.0013790400000000 ] - [ 0.0002059700000000, 0.0023320900000000, 0.0012954100000000 ] - [ -0.0006314100000000, 0.0008420500000000, -0.0017359900000000 ] - [ 0.0000132000000000, -0.0018784100000000, -0.0010755500000000 ] - [ -0.0005706400000000, 0.0018272100000000, -0.0010705000000000 ] - [ -0.0000558000000000, 0.0001903400000000, 0.0001010400000000 ] - [ 0.0001085600000000, 0.0000226000000000, 0.0000746800000000 ] - [ 0.0000703300000000, 0.0003503200000000, 0.0001344000000000 ] - [ 0.0003611400000000, -0.0002995400000000, -0.0001167800000000 ] - [ -0.0352788400000000, -0.0610602500000000, 0.0302512800000000 ] - [ -0.0000773700000000, 0.0019075600000000, 0.0002052300000000 ] - [ 0.0001221100000000, 0.0011027400000000, -0.0003120700000000 ] - [ -0.0015747900000000, 0.0025966000000000, 0.0011714400000000 ] - [ -0.0000582500000000, 0.0013774200000000, 0.0007163300000000 ] - [ -0.0004636400000000, -0.0010632000000000, -0.0007011700000000 ] - [ -0.0001684300000000, -0.0008888000000000, -0.0007461700000000 ] - [ -0.0010538700000000, 0.0010338900000000, -0.0008082400000000 ] - [ -0.0000150200000000, 0.0006072700000000, -0.0002297000000000 ] - [ 0.0006126500000000, -0.0009200500000000, 0.0000295200000000 ] - [ 0.0004076900000000, 0.0017464300000000, -0.0004392600000000 ] - [ 0.0007953600000000, -0.0000131200000000, 0.0010240200000000 ] - [ -0.0006969600000000, 0.0026130500000000, -0.0001276700000000 ] - [ 0.0001578800000000, -0.0015550100000000, 0.0004730000000000 ] - [ -0.0651403100000000, -0.1184843200000000, -0.0035308100000000 ] - [ -0.0111333600000000, -0.0080446400000000, 0.0118726100000000 ] - [ 0.0010686300000000, 0.0004697300000000, -0.0016688500000000 ] - [ 0.0007678500000000, -0.0010617200000000, 0.0000009800000000 ] - [ 0.0000252100000000, 0.0008561000000000, 0.0007088800000000 ] - [ -0.0002218600000000, 0.0005893700000000, 0.0005139700000000 ] - [ 0.0009949500000000, -0.0002783600000000, -0.0003927600000000 ] - [ 0.0002872800000000, -0.0007002400000000, 0.0003454700000000 ] - [ -0.0009153000000000, 0.0012710500000000, -0.0002726300000000 ] - [ 0.0000425400000000, 0.0000375800000000, -0.0023158400000000 ] - [ -0.0003963200000000, 0.0007903000000000, -0.0001597500000000 ] - [ 0.1479606900000000, 0.2330441800000000, -0.0445672200000000 ] - [ -0.0008563400000000, -0.0011278800000000, 0.0010059100000000 ] - [ 0.0000874800000000, 0.0000045200000000, -0.0004103000000000 ] - [ 0.0005912300000000, 0.0007267200000000, 0.0005039300000000 ] - [ -0.0000069300000000, 0.0007233800000000, 0.0004230700000000 ] - [ -0.0004315800000000, 0.0005197400000000, -0.0003385800000000 ] - [ -0.0118538100000000, 0.0018525400000000, -0.0042181600000000 ] - [ -0.0132152300000000, -0.0168479400000000, 0.0127447900000000 ] - [ 0.0000949400000000, -0.0011475000000000, 0.0002107700000000 ] - [ -0.0001831700000000, 0.0000723600000000, 0.0000112400000000 ] - [ 0.0001254100000000, -0.0012626600000000, -0.0005243300000000 ] - [ 0.0004983900000000, -0.0009625800000000, -0.0005335400000000 ] - [ -0.0000440600000000, 0.0000293800000000, -0.0003228400000000 ] - [ 0.0004731900000000, -0.0015400900000000, 0.0003941500000000 ] - [ 0.0006969800000000, -0.0222691000000000, -0.0200311800000000 ] - [ -0.0002628600000000, 0.0000845700000000, 0.0001908600000000 ] - [ 0.0011902000000000, -0.0013877100000000, 0.0004688100000000 ] - [ -0.0004634100000000, -0.0005596900000000, 0.0004831600000000 ] - [ -0.0001120600000000, 0.0003840500000000, 0.0003349000000000 ] - [ 0.0003120600000000, -0.0016632100000000, 0.0000116700000000 ] - [ -0.0001388300000000, 0.0005603400000000, -0.0001847300000000 ] - [ -0.0001085800000000, -0.0001570100000000, 0.0005083900000000 ] - [ 0.0004635000000000, -0.0005918200000000, 0.0001282400000000 ] - [ -0.0004932900000000, 0.0004350800000000, -0.0000450700000000 ] - [ -0.0003243600000000, 0.0007759500000000, -0.0001267000000000 ] - [ 0.0003974000000000, -0.0018480100000000, -0.0002939400000000 ] - [ 0.0001407100000000, -0.0007726800000000, -0.0001970600000000 ] - [ 0.0000093200000000, 0.0008262400000000, 0.0001173400000000 ] - [ 0.0000792600000000, -0.0014509200000000, -0.0002880400000000 ] - [ -0.0008763100000000, 0.0002740300000000, 0.0007612900000000 ] - [ -0.0004465300000000, -0.0011309100000000, -0.0006969300000000 ] - [ 0.0001344200000000, -0.0001705900000000, 0.0001916700000000 ] - [ -0.0207062100000000, -0.0048394500000000, 0.0038289500000000 ] - [ -0.0003870000000000, -0.0004545700000000, -0.0003734500000000 ] - [ -0.0006942500000000, 0.0003723600000000, 0.0002800300000000 ] - [ -0.0001448600000000, -0.0006754200000000, -0.0003992100000000 ] - [ -0.0003973900000000, 0.0009492600000000, -0.0000108000000000 ] - [ 0.0003965100000000, -0.0001300400000000, 0.0003332100000000 ] - [ -0.0000448900000000, -0.0006798800000000, 0.0001146700000000 ] - [ 0.0001544500000000, -0.0002558900000000, 0.0000091700000000 ] - [ 0.0002038500000000, -0.0005058900000000, 0.0001742400000000 ] - [ -0.0001544100000000, -0.0009693300000000, -0.0000440700000000 ] - [ 0.0061696800000000, 0.0100223800000000, -0.0039243000000000 ] - [ -0.0001084500000000, 0.0009599900000000, -0.0003181700000000 ] - [ 0.0001239100000000, -0.0015084600000000, 0.0005334600000000 ] - [ -0.0006224900000000, 0.0003738900000000, 0.0003764700000000 ] - [ 0.0035529200000000, -0.0011262400000000, -0.0018921200000000 ] - [ -0.0000160000000000, -0.0002296900000000, 0.0002220500000000 ] - [ 0.0006341000000000, -0.0004311800000000, -0.0007543300000000 ] - [ -0.0006627200000000, -0.0011225300000000, -0.0002425400000000 ] - [ 0.0010940300000000, 0.0026945800000000, -0.0035007700000000 ] - [ -0.0001798500000000, -0.0003152700000000, 0.0000435400000000 ] - [ -0.0062653800000000, -0.0105197400000000, 0.0232841700000000 ] - [ -0.0003272900000000, 0.0006674300000000, -0.0000911100000000 ] - [ -0.0001313900000000, -0.0005597900000000, -0.0001631400000000 ] - [ -0.0002520100000000, -0.0006941900000000, -0.0002302500000000 ] - [ -0.0000544900000000, -0.0002180200000000, -0.0000679300000000 ] - [ 0.0000619300000000, 0.0006762900000000, 0.0007656500000000 ] - [ 0.0004315800000000, -0.0008766500000000, 0.0000177300000000 ] - [ 0.0005342900000000, 0.0003349100000000, 0.0011762100000000 ] - [ 0.0003646400000000, -0.0017437100000000, 0.0003964900000000 ] - [ 0.0001634500000000, 0.0005547100000000, 0.0002931800000000 ] - [ -0.0001520000000000, 0.0008694600000000, -0.0002062000000000 ] - [ 0.0006002500000000, 0.0011684600000000, -0.0008504200000000 ] - [ -0.0002774600000000, -0.0006122300000000, 0.0002958100000000 ] - [ -0.0006107400000000, 0.0002460500000000, -0.0000716400000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003166400000000, 0.0000739600000000, -0.0023373700000000 ] - [ 0.0013238500000000, 0.0000244300000000, 0.0004243900000000 ] - [ 0.0003200500000000, -0.0003323000000000, -0.0002441800000000 ] - [ -0.0001838500000000, 0.0001592800000000, -0.0002993900000000 ] - [ -0.0005988700000000, 0.0003101100000000, 0.0015767700000000 ] - [ 0.0001636600000000, 0.0000109700000000, 0.0002075700000000 ] - [ -0.0000829100000000, -0.0001007700000000, -0.0009066100000000 ] - [ -0.0001544600000000, -0.0000448000000000, -0.0001084100000000 ] - [ -0.0000607900000000, 0.0001945000000000, -0.0006086800000000 ] - [ -0.0000170700000000, 0.0000896300000000, 0.0003726800000000 ] - [ 0.0001718400000000, -0.0000047000000000, 0.0004699500000000 ] - [ 0.0047690200000000, -0.0012537800000000, 0.0103321700000000 ] - [ 0.0001141200000000, 0.0000737800000000, 0.0001524100000000 ] - [ 0.0000875600000000, -0.0000052900000000, -0.0000571100000000 ] - [ 0.0000246200000000, -0.0000256100000000, -0.0005721100000000 ] - [ -0.0000553300000000, 0.0000782100000000, -0.0004143400000000 ] - [ -0.0004139700000000, -0.0002185500000000, -0.0003703600000000 ] - [ 0.0008746500000000, 0.0006375400000000, 0.0001550400000000 ] - [ 0.0001439900000000, 0.0001022200000000, -0.0002773800000000 ] - [ -0.0003039700000000, 0.0001908100000000, -0.0004758300000000 ] - [ 0.0010190500000000, 0.0001956800000000, 0.0005223900000000 ] - [ 0.0001994000000000, 0.0002256800000000, 0.0003309900000000 ] - [ 0.0002398200000000, -0.0000325200000000, -0.0000330400000000 ] - [ 0.0000275300000000, 0.0007466700000000, 0.0008083000000000 ] - [ 0.0000773300000000, 0.0001715000000000, -0.0001076200000000 ] - [ 0.0000917600000000, -0.0000186400000000, -0.0004683700000000 ] - [ 0.0002284400000000, 0.0000866900000000, 0.0002305700000000 ] - [ -0.0005765900000000, -0.0004657100000000, -0.0001253500000000 ] - [ -0.0007029200000000, -0.0006147600000000, 0.0015322900000000 ] - [ -0.0020281900000000, -0.0000801100000000, -0.0013576400000000 ] - [ 0.0000676100000000, -0.0002044600000000, -0.0004011700000000 ] - [ 0.0000803400000000, -0.0001483500000000, -0.0008630300000000 ] - [ -0.0001958600000000, -0.0002487700000000, 0.0007796200000000 ] - [ -0.0003494000000000, -0.0008457700000000, 0.0010533900000000 ] - [ -0.0002195200000000, 0.0011768700000000, -0.0011296100000000 ] - [ 0.0017293500000000, -0.0003644000000000, -0.0023543500000000 ] - [ -0.0005143900000000, 0.0012316300000000, -0.0005379500000000 ] - [ 0.0002947800000000, -0.0001820000000000, 0.0002758300000000 ] - [ 0.0000537900000000, -0.0001597600000000, -0.0001505100000000 ] - [ -0.0000329000000000, 0.0000319300000000, -0.0000528600000000 ] - [ 0.0001003300000000, 0.0004574300000000, 0.0004214900000000 ] - [ -0.0510762400000000, -0.0337200700000000, 0.0824706100000000 ] - [ 0.0003206300000000, 0.0002653100000000, -0.0002282000000000 ] - [ 0.0001192600000000, 0.0004324500000000, -0.0007250200000000 ] - [ 0.0020175800000000, -0.0018759200000000, 0.0001742100000000 ] - [ -0.0002849000000000, 0.0001897800000000, 0.0006713200000000 ] - [ -0.0004558100000000, -0.0000797900000000, -0.0033734200000000 ] - [ 0.0003769600000000, -0.0002683400000000, -0.0021789200000000 ] - [ -0.0001109000000000, 0.0000114600000000, 0.0003480300000000 ] - [ -0.0002223400000000, 0.0000282000000000, -0.0011089900000000 ] - [ 0.0003371500000000, -0.0000842300000000, -0.0002125800000000 ] - [ -0.0000008000000000, -0.0001281000000000, 0.0003981100000000 ] - [ -0.0008094100000000, -0.0014682700000000, -0.0027129600000000 ] - [ -0.0005804600000000, -0.0000154100000000, 0.0008666200000000 ] - [ 0.0006303300000000, -0.0004335000000000, 0.0001119400000000 ] - [ 0.0029435700000000, 0.0080577100000000, 0.0370405100000000 ] - [ -0.0038936300000000, -0.0093364700000000, -0.0046921300000000 ] - [ 0.0004796600000000, 0.0004844600000000, -0.0013269600000000 ] - [ -0.0008006000000000, 0.0003969400000000, 0.0013744600000000 ] - [ -0.0006854000000000, -0.0008063700000000, 0.0003003300000000 ] - [ 0.0003328600000000, -0.0001630600000000, -0.0005316100000000 ] - [ 0.0009163800000000, 0.0002584300000000, -0.0006446600000000 ] - [ -0.0000902100000000, 0.0002239200000000, -0.0000120700000000 ] - [ -0.0003522300000000, 0.0000962600000000, 0.0002982400000000 ] - [ 0.0004087300000000, 0.0021915100000000, 0.0020253800000000 ] - [ -0.0000149900000000, 0.0002674600000000, 0.0003358400000000 ] - [ 0.0691634100000000, 0.0444893400000000, -0.1418445100000000 ] - [ -0.0006931200000000, -0.0006861300000000, 0.0004217900000000 ] - [ -0.0004734000000000, 0.0002123900000000, 0.0016717400000000 ] - [ -0.0000374000000000, -0.0002876200000000, 0.0022284500000000 ] - [ 0.0003553500000000, 0.0000986900000000, 0.0016501100000000 ] - [ -0.0001423900000000, -0.0000179300000000, -0.0000244900000000 ] - [ 0.0050820600000000, 0.0033710800000000, -0.0080564700000000 ] - [ -0.0106501900000000, -0.0198602200000000, 0.0031991200000000 ] - [ 0.0000636200000000, -0.0000851300000000, 0.0000313400000000 ] - [ -0.0001245600000000, -0.0000032600000000, 0.0003970500000000 ] - [ -0.0002715200000000, 0.0007587300000000, 0.0002083700000000 ] - [ 0.0001508000000000, -0.0001768200000000, -0.0006106500000000 ] - [ -0.0001434500000000, 0.0000526000000000, 0.0002647700000000 ] - [ 0.0000680500000000, 0.0001393900000000, -0.0007018700000000 ] - [ 0.0032821000000000, 0.0117657800000000, -0.0022640400000000 ] - [ -0.0001858900000000, -0.0001432500000000, 0.0000582400000000 ] - [ 0.0005397300000000, -0.0005780500000000, -0.0003246100000000 ] - [ -0.0002951000000000, -0.0002316700000000, 0.0004180800000000 ] - [ 0.0000361800000000, 0.0000635000000000, 0.0006009700000000 ] - [ 0.0000365800000000, 0.0003360500000000, -0.0002842900000000 ] - [ 0.0001403100000000, -0.0001806500000000, -0.0012934700000000 ] - [ 0.0000686800000000, -0.0001982500000000, 0.0007365100000000 ] - [ 0.0004173100000000, -0.0001010600000000, -0.0002499200000000 ] - [ 0.0001560500000000, -0.0001740200000000, -0.0000707400000000 ] - [ -0.0005103100000000, -0.0000799200000000, 0.0001654200000000 ] - [ 0.0005213800000000, -0.0004461000000000, -0.0008451800000000 ] - [ -0.0000184800000000, -0.0001699400000000, 0.0001579300000000 ] - [ 0.0003300700000000, 0.0000781300000000, -0.0000285900000000 ] - [ -0.0000624800000000, -0.0003341000000000, -0.0002978800000000 ] - [ -0.0010761100000000, -0.0002925500000000, 0.0007742500000000 ] - [ -0.0001674600000000, -0.0002696400000000, -0.0007385000000000 ] - [ -0.0000767200000000, -0.0001735900000000, -0.0001561000000000 ] - [ -0.0004402400000000, -0.0000448000000000, -0.0070361600000000 ] - [ 0.0008926100000000, 0.0010307400000000, 0.0003053300000000 ] - [ -0.0002585800000000, -0.0002625900000000, -0.0001043300000000 ] - [ 0.0002267100000000, 0.0001264100000000, -0.0002906200000000 ] - [ 0.0020317700000000, -0.0005917300000000, -0.0006162400000000 ] - [ 0.0002461800000000, 0.0000240300000000, 0.0001826500000000 ] - [ 0.0000154300000000, -0.0000679400000000, 0.0003760300000000 ] - [ -0.0000650700000000, 0.0000588500000000, 0.0002285200000000 ] - [ 0.0001453900000000, -0.0001446900000000, 0.0005514800000000 ] - [ 0.0001271900000000, -0.0003428600000000, -0.0003139700000000 ] - [ -0.0146469400000000, 0.0074404800000000, 0.0146561900000000 ] - [ 0.0001257600000000, 0.0005247400000000, 0.0018091900000000 ] - [ -0.0001395200000000, -0.0005318900000000, 0.0002326300000000 ] - [ -0.0001961300000000, -0.0000855900000000, 0.0003082900000000 ] - [ -0.0014965500000000, 0.0034301400000000, 0.0005906500000000 ] - [ 0.0000125700000000, 0.0000322800000000, 0.0004222700000000 ] - [ -0.0006856300000000, 0.0004024400000000, 0.0005246600000000 ] - [ 0.0002305000000000, 0.0004305100000000, -0.0005352100000000 ] - [ 0.0016486900000000, 0.0014893000000000, 0.0018338700000000 ] - [ 0.0000841000000000, 0.0001848100000000, 0.0004847700000000 ] - [ -0.0068019700000000, -0.0171551700000000, 0.0119651700000000 ] - [ -0.0003055700000000, 0.0004847000000000, 0.0003188900000000 ] - [ 0.0000905900000000, -0.0000909100000000, -0.0000558000000000 ] - [ -0.0003053100000000, -0.0001251200000000, 0.0000575400000000 ] - [ 0.0000855100000000, 0.0003258300000000, 0.0008902800000000 ] - [ -0.0001925700000000, 0.0004092700000000, 0.0018759500000000 ] - [ -0.0006206300000000, 0.0002662200000000, -0.0004741700000000 ] - [ 0.0003906000000000, 0.0001801000000000, 0.0018523400000000 ] - [ -0.0000753800000000, -0.0000390300000000, -0.0000504700000000 ] - [ -0.0001093300000000, 0.0003109300000000, 0.0008864000000000 ] - [ 0.0001695000000000, 0.0001515500000000, -0.0007379600000000 ] - [ -0.0008771100000000, 0.0000811300000000, -0.0002677800000000 ] - [ -0.0000029400000000, -0.0000598400000000, 0.0006557700000000 ] - [ -0.0003204700000000, -0.0001609100000000, 0.0002203900000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003031100000000, -0.0000252400000000, 0.0024608200000000 ] - [ -0.0014782800000000, 0.0000677800000000, -0.0002629600000000 ] - [ -0.0003508400000000, 0.0005436500000000, 0.0002558800000000 ] - [ -0.0000078600000000, 0.0000573700000000, 0.0002720100000000 ] - [ 0.0004128700000000, -0.0005258900000000, -0.0015457400000000 ] - [ -0.0001332900000000, 0.0002014800000000, -0.0002179700000000 ] - [ -0.0001915800000000, -0.0000610400000000, 0.0005997000000000 ] - [ 0.0003038400000000, -0.0000521900000000, -0.0000556500000000 ] - [ -0.0001334900000000, 0.0000207400000000, 0.0006365800000000 ] - [ 0.0000034900000000, -0.0001395600000000, -0.0004887800000000 ] - [ -0.0001719900000000, -0.0000380200000000, -0.0005847900000000 ] - [ -0.0044345200000000, 0.0011651200000000, -0.0097691000000000 ] - [ -0.0001279100000000, -0.0001232400000000, -0.0000348700000000 ] - [ 0.0000598900000000, -0.0000883300000000, 0.0002209700000000 ] - [ 0.0002526000000000, -0.0001403200000000, 0.0002677700000000 ] - [ 0.0000420700000000, -0.0000301800000000, 0.0002990500000000 ] - [ 0.0002610300000000, 0.0001239700000000, 0.0005322900000000 ] - [ -0.0009120700000000, -0.0004243300000000, -0.0001674100000000 ] - [ 0.0000478000000000, 0.0001149500000000, 0.0003044200000000 ] - [ 0.0002682500000000, -0.0004003100000000, 0.0004646500000000 ] - [ -0.0012211300000000, -0.0004199200000000, -0.0005415600000000 ] - [ 0.0000755400000000, -0.0000616800000000, -0.0000242000000000 ] - [ 0.0000362500000000, -0.0001319900000000, 0.0003383100000000 ] - [ 0.0002504700000000, -0.0005949700000000, -0.0011112800000000 ] - [ 0.0000714400000000, -0.0000794400000000, -0.0000539900000000 ] - [ -0.0000783400000000, 0.0000673500000000, 0.0003524200000000 ] - [ -0.0000813800000000, 0.0000064500000000, -0.0000674700000000 ] - [ 0.0005414300000000, 0.0002484500000000, 0.0001232700000000 ] - [ 0.0004547000000000, 0.0007690700000000, -0.0018380100000000 ] - [ 0.0018942000000000, -0.0000090200000000, 0.0011979100000000 ] - [ -0.0003468100000000, 0.0000418900000000, 0.0007068600000000 ] - [ 0.0001135900000000, 0.0003668400000000, 0.0008348100000000 ] - [ -0.0000808700000000, 0.0004109000000000, -0.0004690400000000 ] - [ 0.0005401500000000, 0.0006250800000000, -0.0010796700000000 ] - [ 0.0002568800000000, -0.0009626000000000, 0.0011466000000000 ] - [ -0.0018652700000000, 0.0004650800000000, 0.0021867300000000 ] - [ 0.0005495500000000, -0.0014486200000000, 0.0005497300000000 ] - [ -0.0001028800000000, -0.0000338300000000, -0.0002474600000000 ] - [ -0.0000209900000000, -0.0000538600000000, 0.0001414900000000 ] - [ 0.0000193400000000, 0.0000151800000000, 0.0001681800000000 ] - [ -0.0001998600000000, -0.0000192600000000, 0.0002101800000000 ] - [ 0.0540164200000000, 0.0353958500000000, -0.0846585100000000 ] - [ -0.0002215800000000, 0.0002131800000000, 0.0006262200000000 ] - [ -0.0000202600000000, 0.0000475300000000, 0.0003279300000000 ] - [ -0.0019180000000000, 0.0023086000000000, 0.0004592300000000 ] - [ -0.0000263600000000, -0.0001287700000000, -0.0003896300000000 ] - [ 0.0003578200000000, 0.0005646000000000, 0.0029629300000000 ] - [ -0.0000621500000000, 0.0002055000000000, 0.0018986000000000 ] - [ 0.0002123100000000, -0.0004470000000000, -0.0009865000000000 ] - [ -0.0000868100000000, -0.0000925800000000, 0.0008286200000000 ] - [ -0.0004394500000000, -0.0003480400000000, 0.0008511900000000 ] - [ 0.0001001500000000, -0.0003610000000000, -0.0007957200000000 ] - [ 0.0007107500000000, 0.0018902200000000, 0.0020712500000000 ] - [ 0.0002753100000000, 0.0000752300000000, -0.0011471000000000 ] - [ -0.0007343600000000, -0.0000480800000000, 0.0002922200000000 ] - [ -0.0021946500000000, -0.0073495200000000, -0.0370887800000000 ] - [ 0.0038712000000000, 0.0089818600000000, 0.0040015400000000 ] - [ -0.0003850700000000, -0.0000498800000000, 0.0006986700000000 ] - [ 0.0010973200000000, -0.0003321900000000, -0.0010877900000000 ] - [ 0.0007791300000000, 0.0003655800000000, 0.0003385000000000 ] - [ -0.0006437800000000, 0.0001006500000000, 0.0008090600000000 ] - [ -0.0006126600000000, -0.0003204500000000, 0.0009220400000000 ] - [ -0.0000122200000000, 0.0002612500000000, 0.0004053500000000 ] - [ 0.0004542100000000, -0.0005801700000000, 0.0001048300000000 ] - [ -0.0002039900000000, -0.0023459900000000, -0.0023254600000000 ] - [ -0.0002806000000000, 0.0000063200000000, -0.0005498800000000 ] - [ -0.0733369100000000, -0.0472043900000000, 0.1437300600000000 ] - [ 0.0004870400000000, 0.0005213100000000, -0.0007367500000000 ] - [ 0.0005105400000000, -0.0002537800000000, -0.0015831600000000 ] - [ -0.0001261100000000, -0.0002515100000000, -0.0024857400000000 ] - [ -0.0006491300000000, 0.0001741000000000, -0.0014281700000000 ] - [ 0.0002617800000000, -0.0000661500000000, -0.0006064100000000 ] - [ -0.0053025200000000, -0.0033646300000000, 0.0079174300000000 ] - [ 0.0107102800000000, 0.0194871000000000, -0.0026995800000000 ] - [ -0.0002449000000000, -0.0001353500000000, -0.0000436900000000 ] - [ 0.0002348600000000, 0.0002218400000000, -0.0008795100000000 ] - [ 0.0000904700000000, -0.0005333400000000, -0.0002175100000000 ] - [ -0.0002664400000000, 0.0002600200000000, -0.0000234200000000 ] - [ 0.0000355700000000, 0.0001652000000000, -0.0007481300000000 ] - [ -0.0001100900000000, -0.0000951200000000, 0.0007871700000000 ] - [ -0.0032584200000000, -0.0117539400000000, 0.0024529200000000 ] - [ 0.0002283300000000, 0.0000989200000000, -0.0001379800000000 ] - [ -0.0002466500000000, 0.0003048800000000, 0.0001040400000000 ] - [ 0.0001157000000000, 0.0004572900000000, -0.0004078400000000 ] - [ 0.0001748800000000, 0.0001025100000000, -0.0002945200000000 ] - [ -0.0001473800000000, -0.0005568700000000, 0.0007718100000000 ] - [ -0.0000268500000000, -0.0000418600000000, 0.0008013700000000 ] - [ -0.0001088700000000, 0.0001549600000000, -0.0006538600000000 ] - [ -0.0006290500000000, 0.0002700600000000, -0.0000553100000000 ] - [ -0.0001110000000000, 0.0002160200000000, -0.0000122200000000 ] - [ 0.0006905700000000, -0.0001441300000000, -0.0001781700000000 ] - [ -0.0002182000000000, 0.0004055600000000, 0.0006661300000000 ] - [ 0.0001758300000000, -0.0003633300000000, -0.0004250100000000 ] - [ -0.0001482300000000, 0.0001436600000000, 0.0000209800000000 ] - [ -0.0001173600000000, 0.0001140900000000, 0.0003110100000000 ] - [ 0.0007756100000000, 0.0003392300000000, -0.0005929500000000 ] - [ 0.0000595400000000, 0.0000504900000000, 0.0002523400000000 ] - [ 0.0000760900000000, 0.0001726200000000, 0.0001575300000000 ] - [ 0.0001387900000000, -0.0002693400000000, 0.0073049200000000 ] - [ -0.0008869100000000, -0.0010227100000000, -0.0003043900000000 ] - [ 0.0004679400000000, 0.0000924700000000, 0.0004167700000000 ] - [ -0.0002647600000000, -0.0000787700000000, 0.0002062500000000 ] - [ -0.0023172500000000, 0.0005404900000000, 0.0007901200000000 ] - [ -0.0000896400000000, 0.0005083400000000, 0.0000817200000000 ] - [ 0.0002820200000000, 0.0003463400000000, -0.0005936900000000 ] - [ 0.0003707700000000, -0.0000131600000000, -0.0000453600000000 ] - [ 0.0001586400000000, 0.0001906600000000, -0.0007320400000000 ] - [ 0.0001688800000000, 0.0000713100000000, 0.0005337800000000 ] - [ 0.0151399300000000, -0.0078054900000000, -0.0148438800000000 ] - [ 0.0000530400000000, -0.0002958700000000, -0.0017871900000000 ] - [ 0.0002977400000000, 0.0000005700000000, 0.0000338900000000 ] - [ 0.0001980200000000, 0.0000841000000000, -0.0003094900000000 ] - [ 0.0014820600000000, -0.0034388800000000, -0.0005821300000000 ] - [ 0.0002860200000000, 0.0002454700000000, -0.0002054100000000 ] - [ 0.0006442300000000, -0.0004485200000000, -0.0006044300000000 ] - [ -0.0000718400000000, 0.0001085700000000, 0.0002716200000000 ] - [ -0.0014534700000000, -0.0013367700000000, -0.0021303700000000 ] - [ -0.0002912000000000, -0.0000160400000000, -0.0001773500000000 ] - [ 0.0067246100000000, 0.0179935600000000, -0.0124303600000000 ] - [ 0.0001509800000000, 0.0000474400000000, -0.0000556000000000 ] - [ 0.0002141700000000, 0.0000462200000000, 0.0002361300000000 ] - [ 0.0001902500000000, 0.0000439800000000, -0.0006900000000000 ] - [ -0.0001951900000000, -0.0001042000000000, -0.0003979700000000 ] - [ 0.0003045000000000, -0.0004909000000000, -0.0012397100000000 ] - [ 0.0004127100000000, -0.0004327700000000, 0.0007835600000000 ] - [ -0.0002856200000000, 0.0000403800000000, -0.0013634000000000 ] - [ -0.0000419400000000, 0.0001256500000000, 0.0006836200000000 ] - [ -0.0001991300000000, -0.0002662900000000, -0.0010671600000000 ] - [ -0.0000480500000000, -0.0000673700000000, 0.0001010200000000 ] - [ 0.0005824200000000, -0.0003576200000000, 0.0000436500000000 ] - [ -0.0001132400000000, -0.0000210600000000, -0.0000210800000000 ] - [ 0.0001659600000000, -0.0003754400000000, 0.0000516100000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010436000000000, -0.0000054000000000, -0.0003878500000000 ] - [ -0.0002367000000000, 0.0000797300000000, 0.0001883300000000 ] - [ -0.0003384200000000, 0.0010104800000000, -0.0030841200000000 ] - [ -0.0017772700000000, 0.0014324800000000, 0.0011494700000000 ] - [ -0.0000949300000000, -0.0001035700000000, 0.0002402100000000 ] - [ -0.0001316600000000, 0.0000151800000000, 0.0000884900000000 ] - [ 0.0003505500000000, -0.0019019200000000, -0.0000216700000000 ] - [ 0.0002921600000000, 0.0001024300000000, 0.0000483100000000 ] - [ -0.0010559300000000, -0.0001439300000000, -0.0024998600000000 ] - [ 0.0001461000000000, -0.0000713400000000, 0.0002601500000000 ] - [ -0.0001523600000000, -0.0000734400000000, 0.0000591400000000 ] - [ 0.0003143600000000, 0.0006669900000000, 0.0013553600000000 ] - [ -0.0002675900000000, 0.0001046400000000, -0.0001567200000000 ] - [ -0.0005406300000000, -0.0003027800000000, -0.0001086500000000 ] - [ 0.0021420500000000, -0.0001225900000000, -0.0011157700000000 ] - [ 0.0003250800000000, -0.0005402900000000, -0.0005181600000000 ] - [ -0.0022313800000000, 0.0004911400000000, -0.0000101200000000 ] - [ -0.0000474700000000, 0.0001931900000000, 0.0000941500000000 ] - [ -0.0002371300000000, -0.0001150900000000, -0.0000131700000000 ] - [ -0.0003486800000000, 0.0001283100000000, -0.0000503500000000 ] - [ -0.0001313300000000, -0.0001896600000000, -0.0000419300000000 ] - [ -0.0001305700000000, -0.0000845200000000, 0.0002780600000000 ] - [ -0.0005308600000000, -0.0001564700000000, -0.0000354400000000 ] - [ 0.0003588900000000, 0.0000632000000000, -0.0000074800000000 ] - [ 0.0011235000000000, 0.0000581600000000, -0.0003370700000000 ] - [ -0.0023428300000000, -0.0006575400000000, -0.0001883600000000 ] - [ -0.0001382200000000, 0.0000020500000000, 0.0002000500000000 ] - [ 0.0000180200000000, -0.0003366500000000, 0.0002314700000000 ] - [ 0.0002110400000000, 0.0000620400000000, -0.0000505300000000 ] - [ 0.0000452700000000, -0.0006607300000000, 0.0009971500000000 ] - [ -0.0005289400000000, -0.0000330300000000, -0.0001243200000000 ] - [ 0.0004832400000000, 0.0001360400000000, -0.0002220000000000 ] - [ -0.0007127300000000, 0.0004630200000000, 0.0006839900000000 ] - [ 0.0007205500000000, -0.0003529100000000, 0.0014254200000000 ] - [ 0.0003782300000000, 0.0002027800000000, -0.0000086000000000 ] - [ 0.0009494400000000, -0.0007436200000000, -0.0012611300000000 ] - [ 0.0006128500000000, 0.0004334300000000, 0.0008195900000000 ] - [ -0.0002931200000000, 0.0000463800000000, 0.0000539600000000 ] - [ -0.0011995600000000, 0.0001534500000000, -0.0001785600000000 ] - [ -0.0002201200000000, 0.0001727800000000, 0.0001646500000000 ] - [ -0.0010719000000000, 0.0004300100000000, 0.0007124800000000 ] - [ 0.0006378900000000, -0.0003807600000000, 0.0007360700000000 ] - [ 0.0002631200000000, 0.0000825700000000, 0.0000094500000000 ] - [ -0.0008783600000000, 0.0014244400000000, 0.0003963600000000 ] - [ 0.0002223800000000, 0.0000123800000000, 0.0003562200000000 ] - [ -0.0019803100000000, -0.0014459000000000, 0.0021104500000000 ] - [ 0.0079400800000000, 0.0089472700000000, -0.0095487300000000 ] - [ 0.0619149300000000, 0.0310352200000000, -0.0333597900000000 ] - [ -0.0004239700000000, -0.0000038500000000, 0.0007195600000000 ] - [ 0.0004879500000000, 0.0001967700000000, -0.0004684500000000 ] - [ -0.0008750800000000, -0.0008202300000000, -0.0000172600000000 ] - [ -0.0000853300000000, -0.0000266400000000, 0.0001249200000000 ] - [ 0.0854083100000000, -0.0272442200000000, -0.0763839000000000 ] - [ 0.0002019400000000, 0.0002796800000000, 0.0000768100000000 ] - [ -0.0012060800000000, -0.0003698100000000, -0.0002279700000000 ] - [ 0.0007699200000000, 0.0001507000000000, 0.0001708400000000 ] - [ 0.0004086300000000, -0.0003909400000000, 0.0000768300000000 ] - [ 0.0001379700000000, 0.0003043500000000, -0.0008184300000000 ] - [ -0.0010007500000000, 0.0000688300000000, 0.0003225200000000 ] - [ -0.0083416400000000, -0.0118529400000000, 0.0015470700000000 ] - [ -0.0005459900000000, -0.0001369700000000, -0.0001469500000000 ] - [ -0.0014263800000000, 0.0006118800000000, -0.0005426200000000 ] - [ -0.0014906300000000, 0.0003464700000000, 0.0008793900000000 ] - [ -0.0002640800000000, -0.0023223000000000, 0.0014764400000000 ] - [ -0.0077873300000000, -0.0014014900000000, -0.0007107900000000 ] - [ 0.0008041900000000, 0.0007432600000000, -0.0009680500000000 ] - [ -0.0003469900000000, -0.0000240900000000, -0.0001744600000000 ] - [ -0.0003356200000000, -0.0000754800000000, 0.0000682000000000 ] - [ -0.1818144100000000, -0.0131467000000000, 0.1648498400000000 ] - [ -0.0028155200000000, -0.0023323600000000, 0.0006051200000000 ] - [ -0.0005788800000000, -0.0016674000000000, 0.0024884700000000 ] - [ 0.0012039600000000, -0.0005527800000000, -0.0004484700000000 ] - [ -0.0004270700000000, 0.0001379200000000, -0.0004498300000000 ] - [ -0.0003869100000000, 0.0000045600000000, 0.0001566100000000 ] - [ -0.0000276100000000, 0.0036371400000000, -0.0013729800000000 ] - [ 0.0016206800000000, -0.0004101600000000, 0.0002554100000000 ] - [ -0.0002306900000000, 0.0002552700000000, 0.0000302900000000 ] - [ 0.0002806200000000, 0.0006966900000000, -0.0009829800000000 ] - [ 0.0002359700000000, 0.0001672300000000, -0.0000097600000000 ] - [ -0.0001342500000000, -0.0001021800000000, -0.0004190500000000 ] - [ -0.0001545800000000, 0.0000370600000000, -0.0001074700000000 ] - [ 0.0007569700000000, -0.0000476700000000, 0.0002221000000000 ] - [ -0.0003463600000000, 0.0004170200000000, -0.0006373600000000 ] - [ 0.0002974400000000, -0.0004565800000000, 0.0002244400000000 ] - [ 0.0009491200000000, 0.0004142300000000, 0.0004205300000000 ] - [ -0.0007164400000000, -0.0002863300000000, 0.0004928300000000 ] - [ 0.0003950800000000, -0.0001012300000000, -0.0004509600000000 ] - [ -0.0001031300000000, 0.0001334500000000, 0.0003260400000000 ] - [ 0.0001031700000000, -0.0004795400000000, -0.0009887900000000 ] - [ 0.0005939700000000, 0.0001233700000000, 0.0003005100000000 ] - [ 0.0006791900000000, 0.0002045400000000, 0.0004062600000000 ] - [ -0.0002698100000000, -0.0001442300000000, -0.0003808600000000 ] - [ 0.0009544700000000, -0.0019381900000000, 0.0000614600000000 ] - [ 0.0007538600000000, -0.0000473700000000, -0.0003973600000000 ] - [ 0.0001895000000000, -0.0004166000000000, -0.0003498800000000 ] - [ 0.0004756700000000, -0.0004023300000000, 0.0005286300000000 ] - [ 0.0004491500000000, -0.0000778800000000, -0.0011637700000000 ] - [ 0.0004072400000000, 0.0000313700000000, -0.0003643600000000 ] - [ -0.0004741900000000, -0.0003041300000000, -0.0006237600000000 ] - [ 0.0214561200000000, 0.0133630100000000, -0.0186023700000000 ] - [ 0.0005462500000000, -0.0001488100000000, -0.0001338600000000 ] - [ 0.0038015100000000, 0.0020661900000000, -0.0034000200000000 ] - [ 0.0006694200000000, -0.0004085000000000, -0.0003600900000000 ] - [ 0.0003926000000000, 0.0009696700000000, 0.0001101900000000 ] - [ -0.0008353500000000, 0.0003491600000000, 0.0002334400000000 ] - [ 0.0005195300000000, 0.0000496100000000, 0.0001583600000000 ] - [ -0.0005526300000000, -0.0001998500000000, 0.0002769100000000 ] - [ 0.0004142400000000, -0.0001890600000000, -0.0000426100000000 ] - [ -0.0001075800000000, -0.0001650500000000, -0.0002763100000000 ] - [ 0.0101398300000000, -0.0235982200000000, -0.0068257600000000 ] - [ -0.0000258700000000, -0.0001615700000000, 0.0001946600000000 ] - [ 0.0001807000000000, 0.0000490300000000, 0.0001516600000000 ] - [ -0.0002745500000000, 0.0002398000000000, -0.0000616100000000 ] - [ 0.0010023100000000, -0.0002396200000000, 0.0000831700000000 ] - [ 0.0000057400000000, 0.0000282000000000, 0.0000355200000000 ] - [ 0.0001177100000000, 0.0002780600000000, -0.0003312200000000 ] - [ -0.0003996300000000, 0.0003677500000000, -0.0003578700000000 ] - [ 0.0024173600000000, 0.0023755500000000, 0.0010610300000000 ] - [ -0.0007420600000000, 0.0005127500000000, -0.0009039100000000 ] - [ 0.0011522700000000, 0.0001017100000000, 0.0004457100000000 ] - [ 0.0014029400000000, 0.0004096800000000, -0.0000810900000000 ] - [ 0.0000220400000000, 0.0000852900000000, -0.0000696000000000 ] - [ -0.0003343100000000, 0.0003752300000000, 0.0002241900000000 ] - [ -0.0096846200000000, 0.0007247300000000, 0.0035610800000000 ] - [ -0.0000733300000000, 0.0000049400000000, 0.0000029300000000 ] - [ -0.0020277400000000, 0.0026841100000000, -0.0132755600000000 ] - [ -0.0001217600000000, -0.0000479700000000, 0.0002276900000000 ] - [ 0.0203796800000000, 0.0192836700000000, -0.0088006100000000 ] - [ 0.0008675900000000, 0.0003215900000000, -0.0001101200000000 ] - [ 0.0004194000000000, 0.0002092200000000, 0.0003194300000000 ] - [ -0.0000993900000000, -0.0005338800000000, 0.0002285700000000 ] - [ 0.0005420000000000, -0.0000632100000000, -0.0002351000000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010226000000000, 0.0000563800000000, 0.0005091300000000 ] - [ 0.0000898900000000, 0.0000141900000000, -0.0000260300000000 ] - [ 0.0002577000000000, -0.0007929000000000, 0.0030803100000000 ] - [ 0.0015839300000000, -0.0012162800000000, -0.0011843100000000 ] - [ -0.0000971600000000, -0.0001149900000000, -0.0002132400000000 ] - [ 0.0001645200000000, 0.0001977500000000, -0.0000989700000000 ] - [ -0.0006345000000000, 0.0017365400000000, -0.0002838200000000 ] - [ -0.0001442800000000, -0.0001960100000000, -0.0002117400000000 ] - [ 0.0009029000000000, 0.0003709600000000, 0.0025376200000000 ] - [ -0.0001585100000000, 0.0000235500000000, -0.0003762100000000 ] - [ 0.0001644900000000, 0.0000251700000000, -0.0001752100000000 ] - [ -0.0002927500000000, -0.0007216400000000, -0.0012375400000000 ] - [ 0.0002528200000000, -0.0001538500000000, 0.0002742300000000 ] - [ 0.0006874200000000, 0.0002072500000000, 0.0002713700000000 ] - [ -0.0018545000000000, -0.0000467400000000, 0.0008056400000000 ] - [ -0.0003375200000000, 0.0005851800000000, 0.0004006600000000 ] - [ 0.0020820800000000, -0.0005806200000000, 0.0001734100000000 ] - [ 0.0000148900000000, 0.0000212500000000, -0.0001058800000000 ] - [ 0.0004294600000000, 0.0003323400000000, 0.0000397300000000 ] - [ 0.0003165100000000, -0.0003425100000000, 0.0000395900000000 ] - [ -0.0000629600000000, -0.0000277800000000, 0.0000153000000000 ] - [ 0.0004063300000000, 0.0002474300000000, 0.0000277600000000 ] - [ 0.0008050500000000, -0.0000092000000000, 0.0003385600000000 ] - [ -0.0000825900000000, 0.0000998500000000, -0.0002973100000000 ] - [ -0.0009749600000000, 0.0000370700000000, 0.0001745800000000 ] - [ 0.0023586200000000, 0.0007082400000000, 0.0000710100000000 ] - [ 0.0002856600000000, 0.0000912200000000, -0.0000371800000000 ] - [ -0.0000526600000000, 0.0001224700000000, -0.0002217600000000 ] - [ -0.0004935400000000, 0.0001027100000000, -0.0002578300000000 ] - [ -0.0001973600000000, 0.0005649300000000, -0.0011586700000000 ] - [ 0.0002546400000000, -0.0001305500000000, 0.0004297700000000 ] - [ -0.0002903100000000, 0.0000770600000000, 0.0001950700000000 ] - [ 0.0004379100000000, -0.0002965400000000, -0.0003764300000000 ] - [ -0.0005208600000000, 0.0001453000000000, -0.0014538100000000 ] - [ -0.0003455600000000, 0.0000077600000000, 0.0000189300000000 ] - [ -0.0011080900000000, 0.0008335400000000, 0.0011019300000000 ] - [ -0.0005779700000000, -0.0006432500000000, -0.0008079400000000 ] - [ 0.0004848800000000, -0.0002626700000000, -0.0000255500000000 ] - [ 0.0012306700000000, -0.0003670300000000, 0.0001688700000000 ] - [ 0.0002058800000000, -0.0001246100000000, -0.0000492700000000 ] - [ 0.0009713100000000, 0.0000049500000000, -0.0000801100000000 ] - [ -0.0007364800000000, -0.0001013700000000, -0.0011386400000000 ] - [ -0.0001619100000000, 0.0003952900000000, 0.0003863100000000 ] - [ 0.0009768900000000, -0.0009473800000000, -0.0007973500000000 ] - [ -0.0001222400000000, 0.0004187600000000, 0.0002779800000000 ] - [ 0.0016677300000000, 0.0015036500000000, -0.0018221500000000 ] - [ -0.0079650100000000, -0.0084810100000000, 0.0090732800000000 ] - [ -0.0623027400000000, -0.0326819900000000, 0.0348511400000000 ] - [ 0.0005186300000000, -0.0004298300000000, -0.0013562500000000 ] - [ -0.0007980000000000, -0.0002617300000000, 0.0001878600000000 ] - [ 0.0007766900000000, 0.0003876900000000, 0.0006562300000000 ] - [ 0.0001852300000000, -0.0004544600000000, -0.0005250500000000 ] - [ -0.0841081400000000, 0.0264990100000000, 0.0722665800000000 ] - [ -0.0005124900000000, -0.0002140800000000, -0.0003576500000000 ] - [ 0.0011041400000000, -0.0001087700000000, 0.0006324200000000 ] - [ -0.0004646200000000, -0.0000916800000000, -0.0004510200000000 ] - [ -0.0005051300000000, -0.0000465800000000, -0.0007124200000000 ] - [ -0.0000434100000000, 0.0001280700000000, 0.0001840800000000 ] - [ 0.0013122000000000, -0.0000054300000000, -0.0000420900000000 ] - [ 0.0084098400000000, 0.0113757600000000, -0.0009088200000000 ] - [ 0.0002370500000000, 0.0000713200000000, 0.0004241200000000 ] - [ 0.0017338600000000, -0.0006714500000000, 0.0008139100000000 ] - [ 0.0013893700000000, 0.0001366200000000, -0.0004854900000000 ] - [ 0.0003638900000000, 0.0018316700000000, -0.0010707200000000 ] - [ 0.0079204900000000, 0.0012719500000000, 0.0005510700000000 ] - [ -0.0010991700000000, -0.0004697900000000, 0.0007531000000000 ] - [ 0.0004633200000000, 0.0001097800000000, 0.0008102600000000 ] - [ 0.0001300000000000, -0.0000910900000000, -0.0003798200000000 ] - [ 0.1810653800000000, 0.0161883600000000, -0.1627718700000000 ] - [ 0.0026464200000000, 0.0018017500000000, -0.0008591000000000 ] - [ 0.0002668300000000, 0.0019443600000000, -0.0022602000000000 ] - [ -0.0010875300000000, 0.0004683400000000, -0.0001816000000000 ] - [ 0.0001249400000000, -0.0001821000000000, 0.0002687200000000 ] - [ 0.0004966300000000, -0.0002217200000000, 0.0003292000000000 ] - [ -0.0001551200000000, -0.0038410000000000, 0.0013554200000000 ] - [ -0.0015092500000000, 0.0006258900000000, -0.0007358200000000 ] - [ 0.0000492700000000, -0.0000282300000000, -0.0000393900000000 ] - [ -0.0003962300000000, -0.0006107100000000, 0.0003464000000000 ] - [ -0.0003451800000000, 0.0000534700000000, -0.0004742000000000 ] - [ 0.0000947600000000, 0.0001446500000000, 0.0005019700000000 ] - [ 0.0001951900000000, 0.0000093900000000, 0.0001893600000000 ] - [ -0.0007150800000000, 0.0000034100000000, -0.0003012500000000 ] - [ 0.0006399800000000, -0.0006890500000000, 0.0004160400000000 ] - [ -0.0004765000000000, 0.0006835200000000, -0.0002138700000000 ] - [ -0.0007418300000000, -0.0002494600000000, -0.0001143100000000 ] - [ 0.0006121100000000, 0.0000621400000000, -0.0000049400000000 ] - [ -0.0002879900000000, -0.0001195300000000, -0.0000377200000000 ] - [ 0.0000633700000000, -0.0001747100000000, -0.0002430400000000 ] - [ -0.0003094300000000, 0.0006452700000000, 0.0006807700000000 ] - [ -0.0005549200000000, -0.0000791600000000, -0.0003841600000000 ] - [ -0.0004979300000000, -0.0004299500000000, -0.0004190400000000 ] - [ 0.0005748500000000, 0.0000972200000000, 0.0001999700000000 ] - [ -0.0007977200000000, 0.0014090700000000, -0.0003299200000000 ] - [ -0.0005708100000000, 0.0002717700000000, 0.0003881200000000 ] - [ -0.0003676900000000, 0.0001919300000000, 0.0003601900000000 ] - [ -0.0007821600000000, 0.0004434500000000, -0.0003438400000000 ] - [ -0.0005575000000000, -0.0001425000000000, 0.0006732600000000 ] - [ -0.0004052400000000, -0.0000307000000000, 0.0003647100000000 ] - [ 0.0001727600000000, 0.0000283800000000, 0.0008444200000000 ] - [ -0.0211558900000000, -0.0131925900000000, 0.0182475500000000 ] - [ -0.0003394800000000, -0.0000192900000000, 0.0004448000000000 ] - [ -0.0038201300000000, -0.0020128500000000, 0.0032977100000000 ] - [ -0.0009776400000000, 0.0003628600000000, 0.0005397900000000 ] - [ -0.0002353800000000, -0.0004325600000000, 0.0001544700000000 ] - [ 0.0011289200000000, -0.0000716100000000, -0.0004484200000000 ] - [ -0.0002156600000000, -0.0000028200000000, 0.0000236100000000 ] - [ 0.0008561900000000, 0.0002467000000000, -0.0004579500000000 ] - [ -0.0001188700000000, -0.0000851300000000, 0.0002609900000000 ] - [ 0.0002864800000000, -0.0000571500000000, 0.0002875700000000 ] - [ -0.0098561800000000, 0.0235177100000000, 0.0067132500000000 ] - [ 0.0001814100000000, -0.0003696200000000, 0.0000726400000000 ] - [ -0.0001803200000000, -0.0000492500000000, -0.0001522600000000 ] - [ 0.0002719700000000, -0.0002364700000000, 0.0000619500000000 ] - [ -0.0007030300000000, 0.0005174500000000, 0.0001341100000000 ] - [ -0.0000484600000000, -0.0000725700000000, -0.0001155800000000 ] - [ 0.0000384000000000, 0.0002534100000000, 0.0000670400000000 ] - [ 0.0006072200000000, -0.0001979300000000, 0.0000467900000000 ] - [ -0.0026164700000000, -0.0021971600000000, -0.0007503700000000 ] - [ 0.0005844700000000, 0.0000194000000000, 0.0006387900000000 ] - [ -0.0013084500000000, 0.0004280200000000, -0.0001846100000000 ] - [ -0.0010971600000000, -0.0004532600000000, 0.0002591400000000 ] - [ -0.0001379000000000, -0.0001656700000000, -0.0005619400000000 ] - [ 0.0002267000000000, -0.0001535100000000, 0.0002651300000000 ] - [ 0.0097892000000000, -0.0006578700000000, -0.0029800700000000 ] - [ -0.0001358200000000, -0.0001706700000000, 0.0003057600000000 ] - [ 0.0022194000000000, -0.0024799900000000, 0.0138293600000000 ] - [ 0.0000076600000000, 0.0001291300000000, 0.0004054200000000 ] - [ -0.0210222200000000, -0.0195824200000000, 0.0087303700000000 ] - [ -0.0007535500000000, -0.0002402900000000, -0.0005245500000000 ] - [ -0.0007134500000000, -0.0004866300000000, -0.0005410200000000 ] - [ -0.0000142400000000, 0.0004526200000000, 0.0004064300000000 ] - [ -0.0007009600000000, -0.0004723600000000, 0.0005043000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007851700000000, 0.0006417000000000, 0.0014863400000000 ] - [ -0.0000075500000000, 0.0000749000000000, 0.0001443300000000 ] - [ 0.0012095100000000, 0.0020999100000000, 0.0008169200000000 ] - [ 0.0001289300000000, 0.0012746600000000, 0.0000214700000000 ] - [ -0.0000602400000000, -0.0004258900000000, -0.0000388400000000 ] - [ 0.0000085300000000, -0.0001124500000000, 0.0000220100000000 ] - [ -0.0011552000000000, -0.0018094000000000, 0.0003130300000000 ] - [ 0.0001974900000000, -0.0004610600000000, -0.0005318100000000 ] - [ -0.0016445900000000, 0.0019538000000000, -0.0009856300000000 ] - [ 0.0000027700000000, -0.0000644300000000, -0.0000128000000000 ] - [ -0.0000306700000000, 0.0000059000000000, -0.0000123100000000 ] - [ 0.0001213500000000, -0.0002776600000000, -0.0010574000000000 ] - [ 0.0001137300000000, -0.0001569000000000, 0.0003430900000000 ] - [ -0.0000361100000000, -0.0003889800000000, 0.0000427300000000 ] - [ -0.0007334200000000, 0.0037042800000000, 0.0017908200000000 ] - [ -0.0004811600000000, -0.0009347800000000, -0.0001372500000000 ] - [ 0.0008035900000000, 0.0004454300000000, -0.0000846900000000 ] - [ -0.0000095800000000, 0.0004264000000000, -0.0000042300000000 ] - [ 0.0000480300000000, -0.0003376500000000, 0.0000246300000000 ] - [ 0.0002919600000000, -0.0008599400000000, -0.0002019900000000 ] - [ -0.0001550400000000, -0.0003615700000000, -0.0000202200000000 ] - [ 0.0000914700000000, -0.0002302300000000, 0.0002023100000000 ] - [ -0.0000619600000000, 0.0000282900000000, -0.0000269800000000 ] - [ 0.0001575600000000, -0.0002550300000000, -0.0000753100000000 ] - [ 0.0004037900000000, -0.0012542400000000, 0.0010528400000000 ] - [ -0.0007664900000000, -0.0000238300000000, -0.0001187500000000 ] - [ 0.0000105400000000, -0.0000062700000000, 0.0000974100000000 ] - [ -0.0000985100000000, -0.0004661800000000, 0.0001502300000000 ] - [ -0.0002979300000000, 0.0004034300000000, -0.0001884100000000 ] - [ -0.0002860400000000, 0.0000768600000000, 0.0005821300000000 ] - [ 0.0002961100000000, -0.0003636800000000, 0.0005182700000000 ] - [ 0.0000804600000000, -0.0010158200000000, 0.0001903900000000 ] - [ -0.0001317500000000, 0.0006180400000000, 0.0001725800000000 ] - [ 0.0002324500000000, 0.0004127500000000, 0.0006001000000000 ] - [ -0.0001114300000000, -0.0008764600000000, -0.0001711200000000 ] - [ -0.0007712100000000, -0.0002885100000000, -0.0011368600000000 ] - [ 0.0000747200000000, 0.0004958600000000, -0.0004198400000000 ] - [ 0.0000724800000000, 0.0001143000000000, 0.0001135700000000 ] - [ -0.0002008300000000, 0.0003923800000000, -0.0000672800000000 ] - [ 0.0001808400000000, -0.0001714800000000, -0.0001602400000000 ] - [ -0.0001209300000000, 0.0008431800000000, 0.0005752000000000 ] - [ 0.0000746300000000, 0.0000475300000000, -0.0001590200000000 ] - [ -0.0011733800000000, -0.0008254600000000, -0.0008101800000000 ] - [ 0.0016935300000000, -0.0008987700000000, -0.0006825100000000 ] - [ 0.0000715600000000, -0.0007569400000000, 0.0002296700000000 ] - [ -0.0008709200000000, -0.0005076000000000, 0.0012836600000000 ] - [ 0.0054654500000000, -0.0085922200000000, -0.0044183400000000 ] - [ 0.0331910800000000, 0.0774380100000000, -0.0410350800000000 ] - [ 0.0004082900000000, 0.0001857200000000, -0.0004673500000000 ] - [ 0.0002485400000000, -0.0024673900000000, -0.0004937100000000 ] - [ 0.0002248000000000, -0.0009773500000000, -0.0000185200000000 ] - [ 0.0001109800000000, -0.0004519400000000, -0.0000889100000000 ] - [ -0.0304759500000000, 0.0541527000000000, 0.0406798900000000 ] - [ -0.0000352300000000, -0.0000212600000000, 0.0002627800000000 ] - [ -0.0000336100000000, 0.0001264200000000, -0.0002279300000000 ] - [ -0.0000173300000000, -0.0000838700000000, -0.0003340700000000 ] - [ 0.0004229200000000, -0.0008350000000000, 0.0002564100000000 ] - [ 0.0000438900000000, -0.0011055100000000, -0.0001984000000000 ] - [ 0.0005634300000000, -0.0001431300000000, -0.0001750000000000 ] - [ -0.0044939100000000, -0.0054411200000000, 0.0017160000000000 ] - [ -0.0003755200000000, -0.0009143000000000, 0.0001444500000000 ] - [ -0.0000021700000000, 0.0007707800000000, 0.0000095500000000 ] - [ -0.0005310700000000, 0.0005501900000000, 0.0007913200000000 ] - [ -0.0004317200000000, -0.0019719800000000, 0.0010240800000000 ] - [ -0.0015932600000000, -0.0077793200000000, 0.0047781100000000 ] - [ 0.0004720800000000, 0.0002905100000000, -0.0007475300000000 ] - [ 0.0001812600000000, 0.0000159300000000, 0.0005513300000000 ] - [ -0.0001671600000000, 0.0005667100000000, -0.0002057300000000 ] - [ -0.0137348400000000, -0.1467661800000000, 0.0141262300000000 ] - [ 0.0002252500000000, 0.0026317300000000, 0.0021309200000000 ] - [ -0.0030522800000000, 0.0023439600000000, -0.0006442400000000 ] - [ 0.0003781300000000, -0.0004534200000000, -0.0005121300000000 ] - [ -0.0000141300000000, 0.0000141700000000, -0.0000901700000000 ] - [ 0.0001685500000000, 0.0002522300000000, 0.0005117000000000 ] - [ 0.0005605800000000, 0.0017685300000000, -0.0010592300000000 ] - [ 0.0005235200000000, -0.0007523300000000, -0.0002253300000000 ] - [ 0.0001366000000000, 0.0009907700000000, 0.0004334100000000 ] - [ 0.0001790400000000, 0.0004470900000000, -0.0007401400000000 ] - [ -0.0000331700000000, 0.0007527500000000, -0.0003116600000000 ] - [ -0.0001426100000000, -0.0001816900000000, -0.0000353300000000 ] - [ 0.0000059000000000, 0.0002795800000000, -0.0001273000000000 ] - [ -0.0000056700000000, -0.0003788800000000, -0.0001117900000000 ] - [ 0.0000578300000000, 0.0005503900000000, -0.0004711400000000 ] - [ -0.0002946100000000, 0.0011819500000000, -0.0003003900000000 ] - [ -0.0000590000000000, 0.0005936100000000, 0.0003668100000000 ] - [ -0.0001164000000000, -0.0003757400000000, -0.0002889300000000 ] - [ -0.0000502800000000, 0.0001226300000000, -0.0000647200000000 ] - [ -0.0001751200000000, 0.0011161600000000, -0.0000408300000000 ] - [ -0.0005335900000000, -0.0002934300000000, 0.0002416100000000 ] - [ -0.0000822100000000, 0.0002875200000000, 0.0001161300000000 ] - [ 0.0003484100000000, -0.0000477900000000, 0.0002948400000000 ] - [ 0.0001502000000000, -0.0000380800000000, -0.0001602200000000 ] - [ -0.0018790300000000, 0.0006475800000000, -0.0003869300000000 ] - [ 0.0002896400000000, -0.0003076400000000, -0.0003025600000000 ] - [ -0.0001413900000000, -0.0001084700000000, 0.0000627000000000 ] - [ -0.0003576100000000, -0.0006599900000000, 0.0001450700000000 ] - [ 0.0000832100000000, -0.0003045800000000, -0.0007699100000000 ] - [ -0.0002940600000000, -0.0004818600000000, -0.0000678700000000 ] - [ -0.0003557600000000, -0.0004506600000000, 0.0001710400000000 ] - [ 0.0157662800000000, 0.0006903800000000, -0.0111762200000000 ] - [ 0.0001409200000000, -0.0003315800000000, 0.0000393200000000 ] - [ 0.0020123900000000, 0.0008184800000000, -0.0020720400000000 ] - [ -0.0006193200000000, 0.0001929300000000, 0.0005023900000000 ] - [ 0.0003648400000000, 0.0012260900000000, 0.0001546000000000 ] - [ 0.0016090100000000, 0.0009314100000000, 0.0014947600000000 ] - [ 0.0001710400000000, 0.0003390000000000, 0.0000986600000000 ] - [ -0.0000132700000000, 0.0018211400000000, -0.0001010700000000 ] - [ 0.0001168900000000, 0.0000540800000000, 0.0000478100000000 ] - [ 0.0000099900000000, -0.0000642700000000, -0.0002612000000000 ] - [ -0.0131340900000000, 0.0072451700000000, 0.0080969400000000 ] - [ 0.0005534000000000, -0.0003171100000000, 0.0006456600000000 ] - [ -0.0004210600000000, 0.0008182700000000, 0.0000051900000000 ] - [ -0.0004470100000000, 0.0006822600000000, -0.0000649700000000 ] - [ -0.0004353300000000, 0.0000689400000000, 0.0005883400000000 ] - [ -0.0000711400000000, 0.0004811500000000, -0.0000377100000000 ] - [ 0.0000535900000000, 0.0005553400000000, -0.0001383700000000 ] - [ -0.0000041900000000, 0.0006085400000000, -0.0009205900000000 ] - [ 0.0013841900000000, 0.0009567100000000, 0.0004698600000000 ] - [ -0.0000082400000000, -0.0001674300000000, -0.0003385700000000 ] - [ -0.0001253300000000, -0.0002707600000000, 0.0004773200000000 ] - [ 0.0005108400000000, 0.0001404600000000, -0.0001282200000000 ] - [ 0.0005803600000000, 0.0006559700000000, -0.0002128700000000 ] - [ -0.0000934000000000, 0.0013208800000000, 0.0006073400000000 ] - [ -0.0016437300000000, 0.0217851100000000, -0.0112996900000000 ] - [ -0.0000899600000000, 0.0002463200000000, 0.0001730100000000 ] - [ -0.0002049800000000, -0.0071868100000000, 0.0010630400000000 ] - [ -0.0001237500000000, 0.0001742100000000, 0.0001394000000000 ] - [ 0.0122492200000000, 0.0002287700000000, -0.0050295300000000 ] - [ -0.0000086500000000, -0.0000649400000000, -0.0001939500000000 ] - [ -0.0002392100000000, -0.0006207900000000, -0.0000226100000000 ] - [ -0.0008344600000000, 0.0015248800000000, 0.0001956900000000 ] - [ 0.0000870600000000, -0.0001637100000000, -0.0001647900000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007745100000000, -0.0005989200000000, -0.0013756500000000 ] - [ -0.0001404100000000, 0.0000182200000000, 0.0000174600000000 ] - [ -0.0012529900000000, -0.0018712900000000, -0.0008036000000000 ] - [ -0.0003211200000000, -0.0010513500000000, -0.0000520100000000 ] - [ -0.0001327100000000, 0.0002076000000000, 0.0000651900000000 ] - [ 0.0000246100000000, 0.0003249900000000, -0.0000330400000000 ] - [ 0.0008856000000000, 0.0016463400000000, -0.0006185600000000 ] - [ -0.0000494300000000, 0.0003657500000000, 0.0003632300000000 ] - [ 0.0014603400000000, -0.0017293600000000, 0.0010232100000000 ] - [ -0.0000163000000000, 0.0000173100000000, -0.0001051100000000 ] - [ 0.0000433900000000, -0.0000548800000000, -0.0001044100000000 ] - [ -0.0001021200000000, 0.0002206800000000, 0.0011727400000000 ] - [ -0.0001258300000000, 0.0001092600000000, -0.0002248700000000 ] - [ 0.0001854500000000, 0.0002962100000000, 0.0001214700000000 ] - [ 0.0009250100000000, -0.0036176600000000, -0.0019307600000000 ] - [ 0.0004611000000000, 0.0009812100000000, 0.0000233400000000 ] - [ -0.0009498900000000, -0.0005411300000000, 0.0002490000000000 ] - [ -0.0000236400000000, -0.0002125800000000, -0.0000076400000000 ] - [ 0.0001457700000000, 0.0005535100000000, 0.0000025300000000 ] - [ -0.0003262200000000, 0.0006461300000000, 0.0001932600000000 ] - [ -0.0000383600000000, 0.0001433700000000, -0.0000065500000000 ] - [ 0.0001851300000000, 0.0003942500000000, 0.0001028800000000 ] - [ 0.0003393400000000, -0.0001908100000000, 0.0003321500000000 ] - [ 0.0001181800000000, 0.0004182100000000, -0.0002296000000000 ] - [ -0.0002563600000000, 0.0013409400000000, -0.0012045200000000 ] - [ 0.0007771400000000, 0.0000710100000000, 0.0000031200000000 ] - [ 0.0001374800000000, 0.0001004000000000, 0.0000644900000000 ] - [ 0.0000655600000000, 0.0002514000000000, -0.0001418600000000 ] - [ 0.0000172800000000, -0.0002389900000000, -0.0001211500000000 ] - [ 0.0001384200000000, -0.0001744100000000, -0.0007451800000000 ] - [ -0.0005742000000000, 0.0001990400000000, -0.0002138900000000 ] - [ 0.0001101500000000, 0.0012343000000000, -0.0002194000000000 ] - [ -0.0001423200000000, -0.0004551400000000, 0.0001318300000000 ] - [ -0.0000390500000000, -0.0006199000000000, -0.0006357800000000 ] - [ 0.0001438100000000, 0.0010875400000000, 0.0001842700000000 ] - [ 0.0006209400000000, 0.0003771400000000, 0.0009786200000000 ] - [ -0.0000412000000000, -0.0007032000000000, 0.0004283400000000 ] - [ 0.0001205100000000, -0.0003302900000000, -0.0000867700000000 ] - [ 0.0002361700000000, -0.0006046300000000, 0.0000583000000000 ] - [ -0.0001917300000000, 0.0002190700000000, 0.0002738600000000 ] - [ 0.0000239100000000, -0.0004069500000000, 0.0000578800000000 ] - [ -0.0001750000000000, -0.0005328100000000, -0.0002478800000000 ] - [ 0.0012659300000000, 0.0013047300000000, 0.0012031400000000 ] - [ -0.0015808000000000, 0.0013786800000000, 0.0002864500000000 ] - [ 0.0000249900000000, 0.0011898100000000, 0.0004016800000000 ] - [ 0.0005667900000000, 0.0005777500000000, -0.0010096600000000 ] - [ -0.0056243200000000, 0.0090547500000000, 0.0040917700000000 ] - [ -0.0349128200000000, -0.0789013800000000, 0.0432595000000000 ] - [ -0.0003095300000000, -0.0006164400000000, -0.0001730700000000 ] - [ -0.0005547700000000, 0.0023916500000000, 0.0002141000000000 ] - [ -0.0003222900000000, 0.0005382100000000, 0.0006574200000000 ] - [ -0.0000093000000000, -0.0000295300000000, -0.0003133400000000 ] - [ 0.0304882700000000, -0.0530477500000000, -0.0414559900000000 ] - [ -0.0002766500000000, 0.0000868700000000, -0.0005444800000000 ] - [ -0.0000684600000000, -0.0006098400000000, 0.0006289000000000 ] - [ 0.0003248600000000, 0.0001410600000000, 0.0000517900000000 ] - [ -0.0005230200000000, 0.0003989600000000, -0.0008987300000000 ] - [ 0.0000565200000000, 0.0015347900000000, -0.0004305900000000 ] - [ -0.0002525500000000, 0.0002035100000000, 0.0004548700000000 ] - [ 0.0046250400000000, 0.0050620900000000, -0.0010761500000000 ] - [ 0.0000652100000000, 0.0008505900000000, 0.0001337600000000 ] - [ 0.0003112200000000, -0.0008339900000000, 0.0002703800000000 ] - [ 0.0004311300000000, -0.0000692700000000, -0.0003937700000000 ] - [ 0.0005309400000000, 0.0014955100000000, -0.0006249200000000 ] - [ 0.0017713300000000, 0.0076728100000000, -0.0050235000000000 ] - [ -0.0007691700000000, -0.0000123500000000, 0.0005301700000000 ] - [ -0.0000644600000000, 0.0000703800000000, 0.0000862100000000 ] - [ -0.0000408100000000, -0.0007324200000000, -0.0001077300000000 ] - [ 0.0156259100000000, 0.1476439500000000, -0.0168928800000000 ] - [ -0.0003773000000000, -0.0031635300000000, -0.0024154800000000 ] - [ 0.0027744600000000, -0.0020699000000000, 0.0008549600000000 ] - [ -0.0002623400000000, 0.0003720000000000, -0.0001223700000000 ] - [ -0.0002902800000000, -0.0000570300000000, -0.0000904000000000 ] - [ -0.0000597000000000, -0.0004682300000000, -0.0000244500000000 ] - [ -0.0007379500000000, -0.0020067000000000, 0.0010492300000000 ] - [ -0.0004165100000000, 0.0009710900000000, -0.0002600900000000 ] - [ -0.0003158500000000, -0.0007645300000000, -0.0004411800000000 ] - [ -0.0002937600000000, -0.0003682300000000, 0.0001063300000000 ] - [ -0.0000749700000000, -0.0005335000000000, -0.0001737200000000 ] - [ 0.0001030700000000, 0.0002234900000000, 0.0001207100000000 ] - [ 0.0000336200000000, -0.0002327000000000, 0.0002135300000000 ] - [ 0.0000456100000000, 0.0003334100000000, 0.0000292100000000 ] - [ 0.0002405500000000, -0.0008266200000000, 0.0002516400000000 ] - [ 0.0001113700000000, -0.0009537900000000, 0.0003084400000000 ] - [ 0.0002672000000000, -0.0004248100000000, -0.0000605700000000 ] - [ 0.0000103000000000, 0.0001493000000000, 0.0007771500000000 ] - [ 0.0001576100000000, -0.0003421300000000, -0.0004229600000000 ] - [ 0.0001318400000000, -0.0011554300000000, 0.0001201300000000 ] - [ 0.0003227100000000, 0.0004567100000000, -0.0005441200000000 ] - [ 0.0001209600000000, -0.0002412500000000, -0.0002004600000000 ] - [ -0.0001663800000000, -0.0001733500000000, -0.0003072000000000 ] - [ 0.0001566800000000, -0.0000094400000000, -0.0000192900000000 ] - [ 0.0020240700000000, -0.0011809800000000, 0.0001134800000000 ] - [ -0.0001081000000000, 0.0005317900000000, 0.0002922000000000 ] - [ -0.0000380500000000, -0.0001161400000000, -0.0000502000000000 ] - [ 0.0000533600000000, 0.0007066800000000, 0.0000357000000000 ] - [ -0.0001933700000000, 0.0000835800000000, 0.0002858600000000 ] - [ 0.0002925700000000, 0.0004793000000000, 0.0000686800000000 ] - [ 0.0000571500000000, 0.0001766700000000, 0.0000520400000000 ] - [ -0.0157365400000000, -0.0007759100000000, 0.0111717500000000 ] - [ 0.0000647600000000, 0.0001633600000000, 0.0002723900000000 ] - [ -0.0020639300000000, -0.0007813800000000, 0.0019963500000000 ] - [ 0.0003114100000000, -0.0002363900000000, -0.0003222200000000 ] - [ -0.0002078100000000, -0.0006948500000000, 0.0001086900000000 ] - [ -0.0013004800000000, -0.0006551700000000, -0.0017039000000000 ] - [ 0.0001330300000000, -0.0002933000000000, 0.0000836700000000 ] - [ 0.0003191500000000, -0.0017668300000000, -0.0000823900000000 ] - [ 0.0001762600000000, -0.0003283700000000, 0.0001722600000000 ] - [ 0.0001696700000000, -0.0001562500000000, 0.0002767900000000 ] - [ 0.0135181900000000, -0.0070446600000000, -0.0081718000000000 ] - [ -0.0003936800000000, -0.0002173600000000, -0.0003770300000000 ] - [ 0.0004173900000000, -0.0008138300000000, -0.0000068800000000 ] - [ 0.0004473200000000, -0.0006810600000000, 0.0000671000000000 ] - [ 0.0007273800000000, 0.0002058800000000, -0.0003701000000000 ] - [ 0.0000302500000000, -0.0005272000000000, -0.0000428500000000 ] - [ 0.0001016000000000, -0.0000236500000000, -0.0001240400000000 ] - [ 0.0002121100000000, -0.0004412500000000, 0.0006180500000000 ] - [ -0.0015989400000000, -0.0007994500000000, -0.0001674200000000 ] - [ -0.0001496100000000, 0.0007005100000000, 0.0000768400000000 ] - [ -0.0000310400000000, 0.0008030100000000, -0.0002133800000000 ] - [ -0.0002116400000000, -0.0001886300000000, 0.0003083100000000 ] - [ -0.0006934200000000, -0.0007371600000000, -0.0004203600000000 ] - [ -0.0000160700000000, -0.0010965800000000, -0.0001150700000000 ] - [ 0.0018184700000000, -0.0223266300000000, 0.0122282400000000 ] - [ -0.0001171300000000, -0.0004133300000000, 0.0001382600000000 ] - [ 0.0003598100000000, 0.0074325800000000, -0.0006020600000000 ] - [ 0.0000093400000000, -0.0000934400000000, 0.0004946700000000 ] - [ -0.0126676200000000, -0.0001661200000000, 0.0048646500000000 ] - [ 0.0001240300000000, 0.0001488500000000, -0.0004398400000000 ] - [ -0.0000547400000000, 0.0003459100000000, -0.0001962800000000 ] - [ 0.0007082300000000, -0.0015994800000000, 0.0004339200000000 ] - [ -0.0002453900000000, -0.0003702900000000, 0.0004326700000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0018050700000000, 0.0009530500000000, -0.0013179900000000 ] - [ 0.0000316400000000, 0.0000722600000000, -0.0003645700000000 ] - [ -0.0032728300000000, 0.0007310500000000, 0.0012884100000000 ] - [ 0.0023252100000000, -0.0009687100000000, 0.0000039600000000 ] - [ -0.0000325300000000, -0.0002616000000000, -0.0004020600000000 ] - [ 0.0000931300000000, 0.0001662000000000, -0.0002541400000000 ] - [ 0.0002794700000000, 0.0013901100000000, 0.0001098900000000 ] - [ 0.0000881000000000, -0.0003781100000000, -0.0005253800000000 ] - [ -0.0018527100000000, -0.0002284600000000, 0.0022619600000000 ] - [ 0.0000152600000000, 0.0001673100000000, -0.0007668500000000 ] - [ 0.0000553900000000, -0.0000511100000000, -0.0005864700000000 ] - [ 0.0010856400000000, -0.0019959300000000, -0.0007572200000000 ] - [ -0.0000651100000000, 0.0002133600000000, 0.0000793200000000 ] - [ 0.0004128700000000, 0.0001711000000000, 0.0004226700000000 ] - [ -0.0006711400000000, 0.0002573400000000, 0.0034517000000000 ] - [ -0.0004032800000000, 0.0002055500000000, 0.0007672700000000 ] - [ 0.0009160500000000, -0.0003711400000000, 0.0007179500000000 ] - [ -0.0000736200000000, 0.0000678600000000, -0.0007066900000000 ] - [ 0.0003278000000000, 0.0002482800000000, 0.0002103600000000 ] - [ 0.0000762100000000, -0.0001851700000000, 0.0003747800000000 ] - [ -0.0001511700000000, -0.0001761900000000, -0.0001380700000000 ] - [ 0.0003111000000000, 0.0002195000000000, -0.0000045900000000 ] - [ 0.0002811200000000, -0.0003200800000000, 0.0003605200000000 ] - [ -0.0000139300000000, 0.0001636400000000, -0.0004403000000000 ] - [ -0.0005824200000000, 0.0012420100000000, 0.0002019700000000 ] - [ 0.0010338900000000, 0.0003039200000000, 0.0006015300000000 ] - [ 0.0001484300000000, 0.0000805400000000, -0.0002539800000000 ] - [ 0.0000762200000000, 0.0002303700000000, -0.0003743800000000 ] - [ -0.0009128400000000, -0.0000809700000000, -0.0017580100000000 ] - [ 0.0003789600000000, 0.0012192400000000, -0.0018780300000000 ] - [ -0.0001767000000000, 0.0001033100000000, 0.0003129900000000 ] - [ -0.0001871600000000, 0.0004176500000000, 0.0001126400000000 ] - [ 0.0005871800000000, -0.0002463000000000, -0.0003918200000000 ] - [ 0.0005148000000000, 0.0014509000000000, -0.0028404500000000 ] - [ -0.0001350200000000, 0.0000513000000000, 0.0003643600000000 ] - [ -0.0015796100000000, -0.0013646700000000, 0.0007880200000000 ] - [ -0.0006496600000000, -0.0012779000000000, -0.0024186600000000 ] - [ 0.0001286000000000, -0.0001235600000000, -0.0004431200000000 ] - [ 0.0005052700000000, -0.0001940800000000, 0.0005942100000000 ] - [ 0.0002563000000000, -0.0001902200000000, -0.0000428000000000 ] - [ 0.0008241800000000, 0.0000935900000000, -0.0008249500000000 ] - [ -0.0007711100000000, -0.0000364200000000, -0.0032237600000000 ] - [ -0.0011899600000000, -0.0006159200000000, -0.0005013800000000 ] - [ 0.0004120100000000, 0.0004745400000000, 0.0012397000000000 ] - [ -0.0003800700000000, 0.0001907100000000, -0.0002494500000000 ] - [ 0.0013913000000000, 0.0014150000000000, -0.0015842700000000 ] - [ -0.0100263500000000, -0.0022881100000000, 0.0130774600000000 ] - [ -0.0360235200000000, -0.0387537300000000, 0.0773443200000000 ] - [ 0.0006096400000000, -0.0004401200000000, -0.0027153100000000 ] - [ -0.0001643100000000, -0.0004885500000000, 0.0005156100000000 ] - [ 0.0000934500000000, -0.0003821000000000, 0.0010540900000000 ] - [ -0.0001108300000000, -0.0003335300000000, -0.0011760500000000 ] - [ -0.0684356100000000, 0.0375740900000000, 0.1376180500000000 ] - [ -0.0007410400000000, 0.0005741200000000, -0.0024386700000000 ] - [ -0.0003152300000000, -0.0008314100000000, 0.0007933700000000 ] - [ -0.0005980900000000, -0.0006997300000000, -0.0014445500000000 ] - [ -0.0005299700000000, 0.0000984600000000, -0.0019894500000000 ] - [ 0.0002466900000000, 0.0002423800000000, 0.0007218100000000 ] - [ 0.0008967900000000, -0.0004590900000000, -0.0002556700000000 ] - [ 0.0079403600000000, 0.0106442500000000, 0.0005022800000000 ] - [ -0.0002215600000000, -0.0002623800000000, 0.0003890100000000 ] - [ 0.0001631700000000, -0.0002156800000000, 0.0004911900000000 ] - [ 0.0009737200000000, 0.0005443400000000, -0.0003490100000000 ] - [ 0.0005752400000000, 0.0018044900000000, -0.0005983900000000 ] - [ -0.0058619200000000, 0.0111659200000000, 0.0263394200000000 ] - [ -0.0010297100000000, -0.0003189100000000, 0.0001920000000000 ] - [ 0.0002198900000000, 0.0004887700000000, 0.0019404200000000 ] - [ 0.0001128600000000, -0.0002689800000000, -0.0005592700000000 ] - [ 0.1622381000000000, 0.0182900800000000, -0.2732725600000000 ] - [ 0.0013316100000000, 0.0002301600000000, -0.0035369000000000 ] - [ 0.0016177000000000, 0.0004854900000000, -0.0023914900000000 ] - [ -0.0002515600000000, -0.0000375100000000, -0.0003475100000000 ] - [ 0.0002027000000000, -0.0000535400000000, 0.0009110500000000 ] - [ 0.0004351000000000, 0.0002230000000000, 0.0008741400000000 ] - [ -0.0006310000000000, -0.0034354000000000, 0.0007467700000000 ] - [ 0.0000649100000000, 0.0000808400000000, -0.0009443100000000 ] - [ 0.0001944700000000, 0.0005357600000000, 0.0004938800000000 ] - [ -0.0003276400000000, -0.0006713600000000, 0.0002479700000000 ] - [ -0.0001029600000000, 0.0000735400000000, -0.0005971600000000 ] - [ 0.0004389400000000, 0.0001003600000000, 0.0017102400000000 ] - [ -0.0001277100000000, 0.0001909600000000, 0.0010303000000000 ] - [ -0.0002424400000000, 0.0000476600000000, 0.0002002100000000 ] - [ 0.0003641600000000, -0.0007508100000000, 0.0003117300000000 ] - [ -0.0002750500000000, 0.0002096900000000, -0.0005471400000000 ] - [ -0.0001629300000000, 0.0000440500000000, -0.0003850900000000 ] - [ 0.0007624800000000, -0.0012927500000000, 0.0018039000000000 ] - [ -0.0001733100000000, 0.0000148800000000, 0.0002102300000000 ] - [ -0.0003041400000000, -0.0000999800000000, -0.0007194600000000 ] - [ -0.0009379200000000, 0.0009699300000000, 0.0013563900000000 ] - [ -0.0003218300000000, 0.0001791800000000, -0.0003480500000000 ] - [ 0.0002136400000000, 0.0001836500000000, -0.0005663200000000 ] - [ 0.0003308700000000, -0.0002398300000000, 0.0013278200000000 ] - [ 0.0003072100000000, -0.0008509700000000, -0.0016177600000000 ] - [ -0.0007208700000000, 0.0001162600000000, 0.0005263000000000 ] - [ -0.0003472700000000, 0.0003567600000000, 0.0008342800000000 ] - [ 0.0004225600000000, 0.0000496300000000, 0.0001858600000000 ] - [ -0.0005293000000000, -0.0002451600000000, 0.0007778800000000 ] - [ -0.0003849100000000, 0.0000336000000000, 0.0007498400000000 ] - [ -0.0000174300000000, 0.0002888100000000, 0.0020037100000000 ] - [ -0.0224958900000000, -0.0120738600000000, 0.0080088100000000 ] - [ -0.0002380100000000, -0.0000651800000000, 0.0009522600000000 ] - [ -0.0033620200000000, -0.0020102600000000, 0.0024234100000000 ] - [ -0.0011229100000000, 0.0004930400000000, 0.0002752300000000 ] - [ -0.0002596200000000, -0.0004656600000000, -0.0001745000000000 ] - [ 0.0014827200000000, 0.0012260000000000, 0.0004927500000000 ] - [ 0.0000520000000000, 0.0000978900000000, 0.0001115200000000 ] - [ 0.0004875700000000, 0.0005040200000000, -0.0008494000000000 ] - [ 0.0000079100000000, -0.0001113000000000, 0.0005292900000000 ] - [ 0.0002313900000000, 0.0001560100000000, 0.0011764900000000 ] - [ -0.0058168600000000, 0.0119300200000000, -0.0063283000000000 ] - [ 0.0005526400000000, -0.0001209800000000, 0.0007364800000000 ] - [ -0.0001570800000000, 0.0001526500000000, -0.0003314900000000 ] - [ 0.0003041200000000, -0.0001907300000000, 0.0003850400000000 ] - [ -0.0001243600000000, 0.0004357500000000, -0.0006629400000000 ] - [ 0.0000554300000000, -0.0000240200000000, 0.0000611600000000 ] - [ -0.0000251000000000, 0.0001687100000000, 0.0004213500000000 ] - [ 0.0005851800000000, -0.0007456800000000, 0.0008353000000000 ] - [ -0.0021724700000000, -0.0016858800000000, -0.0022719800000000 ] - [ 0.0007567500000000, -0.0002555200000000, 0.0021795300000000 ] - [ -0.0002815600000000, 0.0005168000000000, -0.0003487200000000 ] - [ -0.0007132800000000, -0.0004687200000000, 0.0002088400000000 ] - [ 0.0003484900000000, 0.0003182400000000, -0.0005648300000000 ] - [ -0.0000224700000000, -0.0001144500000000, 0.0001072800000000 ] - [ 0.0054117600000000, -0.0199389600000000, -0.0020841100000000 ] - [ -0.0000093900000000, -0.0001338700000000, 0.0006755400000000 ] - [ -0.0150851900000000, -0.0076675600000000, 0.0288110200000000 ] - [ 0.0004233500000000, -0.0004236500000000, 0.0010103300000000 ] - [ -0.0064212600000000, -0.0055237200000000, -0.0075542000000000 ] - [ -0.0001129000000000, 0.0002723400000000, -0.0002169500000000 ] - [ 0.0005447300000000, 0.0003292500000000, 0.0000608600000000 ] - [ -0.0008076500000000, 0.0003148400000000, -0.0004291600000000 ] - [ -0.0005060400000000, -0.0005502200000000, 0.0006578000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0018167300000000, -0.0008990700000000, 0.0014401800000000 ] - [ -0.0001811900000000, 0.0000220300000000, 0.0005292500000000 ] - [ 0.0032391900000000, -0.0005187800000000, -0.0013148100000000 ] - [ -0.0025148500000000, 0.0011908500000000, -0.0000221600000000 ] - [ -0.0001613300000000, 0.0000454300000000, 0.0004299900000000 ] - [ -0.0000599400000000, 0.0000462200000000, 0.0002450200000000 ] - [ -0.0005578200000000, -0.0015660300000000, -0.0004117600000000 ] - [ 0.0000598000000000, 0.0002830700000000, 0.0003644500000000 ] - [ 0.0016815400000000, 0.0004524400000000, -0.0022209800000000 ] - [ -0.0000302400000000, -0.0002179900000000, 0.0006525800000000 ] - [ -0.0000406500000000, 0.0000033900000000, 0.0004710700000000 ] - [ -0.0010822000000000, 0.0019576100000000, 0.0008673700000000 ] - [ 0.0000521200000000, -0.0002624800000000, 0.0000350300000000 ] - [ -0.0002660500000000, -0.0002660000000000, -0.0002607000000000 ] - [ 0.0009274600000000, -0.0003474100000000, -0.0037327100000000 ] - [ 0.0003909800000000, -0.0001580300000000, -0.0008850100000000 ] - [ -0.0010607100000000, 0.0002794900000000, -0.0005578700000000 ] - [ 0.0000386400000000, 0.0001456900000000, 0.0006990800000000 ] - [ -0.0001359400000000, -0.0000333600000000, -0.0001826700000000 ] - [ -0.0001089100000000, -0.0000311100000000, -0.0003875800000000 ] - [ -0.0000407900000000, -0.0000403300000000, 0.0001101500000000 ] - [ -0.0000351400000000, -0.0000565300000000, 0.0003096400000000 ] - [ -0.0000049600000000, 0.0001567600000000, -0.0000553000000000 ] - [ 0.0002906800000000, -0.0000006200000000, 0.0001352000000000 ] - [ 0.0007336400000000, -0.0011521700000000, -0.0003691300000000 ] - [ -0.0010306500000000, -0.0002585200000000, -0.0007188800000000 ] - [ -0.0000006200000000, 0.0000125200000000, 0.0004180300000000 ] - [ -0.0001092300000000, -0.0004436800000000, 0.0003874900000000 ] - [ 0.0006439700000000, 0.0002455400000000, 0.0014586700000000 ] - [ -0.0005256100000000, -0.0013101800000000, 0.0017213300000000 ] - [ -0.0000983800000000, -0.0002685700000000, -0.0000052800000000 ] - [ 0.0003803700000000, -0.0002041500000000, -0.0001378100000000 ] - [ -0.0008681500000000, 0.0004125100000000, 0.0006964200000000 ] - [ -0.0003263300000000, -0.0016777100000000, 0.0028260100000000 ] - [ 0.0001683400000000, 0.0001602100000000, -0.0003572900000000 ] - [ 0.0014410800000000, 0.0014648500000000, -0.0009625600000000 ] - [ 0.0006808700000000, 0.0010610100000000, 0.0024279500000000 ] - [ 0.0000648700000000, -0.0000928900000000, 0.0004703900000000 ] - [ -0.0004745600000000, -0.0000170500000000, -0.0006063200000000 ] - [ -0.0002693400000000, 0.0002379600000000, 0.0001604200000000 ] - [ -0.0009198100000000, 0.0003439300000000, 0.0014645600000000 ] - [ 0.0006681100000000, -0.0004395600000000, 0.0028349600000000 ] - [ 0.0012909700000000, 0.0010966900000000, 0.0009028900000000 ] - [ -0.0003154200000000, 0.0000106100000000, -0.0016352000000000 ] - [ 0.0004776800000000, 0.0002427700000000, 0.0008878300000000 ] - [ -0.0017059200000000, -0.0013574100000000, 0.0018656900000000 ] - [ 0.0099366400000000, 0.0027142300000000, -0.0134901700000000 ] - [ 0.0339442200000000, 0.0359182400000000, -0.0754640100000000 ] - [ -0.0005070100000000, 0.0000044700000000, 0.0020831000000000 ] - [ -0.0001438000000000, 0.0004221900000000, -0.0007959800000000 ] - [ -0.0001911000000000, -0.0000553100000000, -0.0004246700000000 ] - [ 0.0002140700000000, -0.0001511400000000, 0.0007781900000000 ] - [ 0.0737885700000000, -0.0399000600000000, -0.1444848500000000 ] - [ 0.0004356200000000, -0.0005158200000000, 0.0021640200000000 ] - [ 0.0002173300000000, 0.0003515200000000, -0.0004020500000000 ] - [ 0.0009110800000000, 0.0007708900000000, 0.0011684500000000 ] - [ 0.0004325500000000, -0.0005301800000000, 0.0013607400000000 ] - [ -0.0001488100000000, 0.0001897700000000, -0.0013612600000000 ] - [ -0.0005896400000000, 0.0005230800000000, 0.0005338800000000 ] - [ -0.0078562500000000, -0.0111098900000000, 0.0001333600000000 ] - [ -0.0000881700000000, 0.0001980400000000, -0.0001086700000000 ] - [ 0.0001453100000000, 0.0001568100000000, -0.0002080200000000 ] - [ -0.0010759400000000, -0.0000587200000000, 0.0007565700000000 ] - [ -0.0004775500000000, -0.0022935800000000, 0.0009979600000000 ] - [ 0.0061522500000000, -0.0115851700000000, -0.0272090800000000 ] - [ 0.0007377200000000, 0.0005964500000000, -0.0004191300000000 ] - [ -0.0001045800000000, -0.0004140900000000, -0.0013135900000000 ] - [ -0.0003203500000000, 0.0001021600000000, 0.0002517000000000 ] - [ -0.1654511600000000, -0.0126792200000000, 0.2775504800000000 ] - [ -0.0014837500000000, -0.0007524000000000, 0.0032837600000000 ] - [ -0.0019237000000000, -0.0002000300000000, 0.0026075500000000 ] - [ 0.0003690700000000, -0.0000456300000000, -0.0002902100000000 ] - [ -0.0005099500000000, 0.0000052600000000, -0.0010932900000000 ] - [ -0.0003280900000000, -0.0004453400000000, -0.0003876400000000 ] - [ 0.0004507900000000, 0.0032229100000000, -0.0007585900000000 ] - [ 0.0000448700000000, 0.0001345400000000, 0.0004585700000000 ] - [ -0.0003755800000000, -0.0003113200000000, -0.0005059700000000 ] - [ 0.0002134400000000, 0.0007569200000000, -0.0008819300000000 ] - [ -0.0000056900000000, 0.0001476100000000, 0.0001119300000000 ] - [ -0.0004820800000000, -0.0000548900000000, -0.0016310700000000 ] - [ 0.0001691200000000, -0.0001486900000000, -0.0009517900000000 ] - [ 0.0002812000000000, -0.0000936200000000, -0.0002865300000000 ] - [ -0.0000679900000000, 0.0004781500000000, -0.0005297800000000 ] - [ 0.0000955600000000, 0.0000134900000000, 0.0005593900000000 ] - [ 0.0003717600000000, 0.0001273500000000, 0.0006957300000000 ] - [ -0.0008764100000000, 0.0010779100000000, -0.0013183300000000 ] - [ 0.0002821400000000, -0.0002352900000000, -0.0006974600000000 ] - [ 0.0002646700000000, 0.0000608000000000, 0.0008051500000000 ] - [ 0.0007273400000000, -0.0008004600000000, -0.0016676100000000 ] - [ 0.0003635800000000, -0.0001348800000000, 0.0002689700000000 ] - [ -0.0000332500000000, -0.0004077700000000, 0.0005608100000000 ] - [ -0.0000275900000000, 0.0001981000000000, -0.0015116100000000 ] - [ -0.0001447100000000, 0.0003114600000000, 0.0013542800000000 ] - [ 0.0009010400000000, 0.0001040000000000, -0.0005411300000000 ] - [ 0.0001665100000000, -0.0005796200000000, -0.0008243200000000 ] - [ -0.0007269100000000, -0.0000050500000000, -0.0000079400000000 ] - [ 0.0004236500000000, 0.0000268700000000, -0.0012652800000000 ] - [ 0.0003822300000000, -0.0000355400000000, -0.0007520300000000 ] - [ -0.0002747000000000, -0.0005680500000000, -0.0017914600000000 ] - [ 0.0227784600000000, 0.0121659700000000, -0.0080445400000000 ] - [ 0.0004450500000000, -0.0001033900000000, -0.0006442800000000 ] - [ 0.0033357500000000, 0.0020630100000000, -0.0025163100000000 ] - [ 0.0008227100000000, -0.0005392400000000, -0.0000912000000000 ] - [ 0.0004184400000000, 0.0010026000000000, 0.0004423400000000 ] - [ -0.0011873500000000, -0.0009505000000000, -0.0007142600000000 ] - [ 0.0002523300000000, -0.0000514800000000, 0.0000689300000000 ] - [ -0.0001835700000000, -0.0004570100000000, 0.0006691500000000 ] - [ 0.0002858500000000, -0.0001623200000000, -0.0003103100000000 ] - [ -0.0000497700000000, -0.0003845400000000, -0.0011706700000000 ] - [ 0.0059596400000000, -0.0116402700000000, 0.0064606300000000 ] - [ -0.0003959800000000, -0.0004104800000000, -0.0004738700000000 ] - [ 0.0001556700000000, -0.0001508700000000, 0.0003337300000000 ] - [ -0.0003035700000000, 0.0001901800000000, -0.0003868600000000 ] - [ 0.0004244600000000, -0.0001596700000000, 0.0008784600000000 ] - [ -0.0000956800000000, -0.0000205700000000, -0.0001449000000000 ] - [ 0.0001810900000000, 0.0003645000000000, -0.0006879000000000 ] - [ -0.0003776000000000, 0.0009126900000000, -0.0011501800000000 ] - [ 0.0019734300000000, 0.0018618500000000, 0.0025917500000000 ] - [ -0.0009124200000000, 0.0007868500000000, -0.0024489700000000 ] - [ 0.0001249900000000, 0.0000135200000000, 0.0006208200000000 ] - [ 0.0010193700000000, 0.0004243800000000, -0.0000274600000000 ] - [ -0.0004632600000000, -0.0003989700000000, -0.0000686700000000 ] - [ -0.0000857900000000, 0.0003391400000000, 0.0003795800000000 ] - [ -0.0053199800000000, 0.0198252400000000, 0.0026349400000000 ] - [ -0.0001980000000000, -0.0000323100000000, -0.0003687700000000 ] - [ 0.0149225400000000, 0.0077784800000000, -0.0277904000000000 ] - [ -0.0005423800000000, 0.0005099800000000, -0.0003787700000000 ] - [ 0.0062618200000000, 0.0056472900000000, 0.0072629500000000 ] - [ 0.0002293000000000, -0.0001904000000000, -0.0004142000000000 ] - [ -0.0008461600000000, -0.0006062100000000, -0.0002749400000000 ] - [ 0.0006914300000000, -0.0003965100000000, 0.0010617100000000 ] - [ 0.0003493300000000, 0.0000156500000000, -0.0003943200000000 ]- atom: 70 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010849600000000, -0.0005288000000000, -0.0011455400000000 ] - [ -0.0002391300000000, 0.0000422300000000, -0.0000792300000000 ] - [ -0.0000151200000000, 0.0008765300000000, -0.0000248100000000 ] - [ -0.0003470300000000, 0.0002572700000000, 0.0001588200000000 ] - [ 0.0001373700000000, 0.0001717600000000, 0.0002696500000000 ] - [ -0.0001967700000000, 0.0001461800000000, -0.0000899600000000 ] - [ -0.0016275400000000, -0.0003820000000000, 0.0026883900000000 ] - [ 0.0002810700000000, -0.0001108900000000, -0.0000354500000000 ] - [ 0.0000437800000000, -0.0006205900000000, -0.0003569700000000 ] - [ 0.0001272500000000, -0.0000408500000000, -0.0001203900000000 ] - [ -0.0003235400000000, -0.0000284600000000, -0.0002487700000000 ] - [ 0.0029509900000000, 0.0004707700000000, 0.0005306100000000 ] - [ -0.0002207700000000, -0.0001299600000000, -0.0000449800000000 ] - [ -0.0003280000000000, 0.0001364500000000, 0.0001155300000000 ] - [ 0.0004198000000000, -0.0002123300000000, -0.0001018500000000 ] - [ 0.0003878100000000, 0.0001972500000000, -0.0000502000000000 ] - [ -0.0024763000000000, -0.0008844400000000, 0.0006937000000000 ] - [ -0.0000524500000000, -0.0000093200000000, -0.0001233400000000 ] - [ -0.0008094200000000, 0.0000356700000000, 0.0001294500000000 ] - [ -0.0027741200000000, 0.0021167400000000, 0.0007856400000000 ] - [ -0.0006254900000000, -0.0003993900000000, -0.0004344500000000 ] - [ -0.0001096800000000, 0.0001634900000000, 0.0002401600000000 ] - [ -0.0000728900000000, -0.0001619000000000, 0.0001556700000000 ] - [ 0.0002420200000000, -0.0001451400000000, -0.0004242800000000 ] - [ 0.0002828900000000, -0.0003445800000000, -0.0001624800000000 ] - [ -0.0011743200000000, 0.0001771800000000, 0.0001396600000000 ] - [ -0.0000606900000000, 0.0000550600000000, 0.0000221300000000 ] - [ -0.0000466100000000, -0.0002187300000000, 0.0003462700000000 ] - [ 0.0001191400000000, 0.0004343700000000, -0.0006111300000000 ] - [ 0.0001725200000000, 0.0001140900000000, 0.0002206200000000 ] - [ -0.0018480900000000, 0.0003863000000000, -0.0011815700000000 ] - [ 0.0019399900000000, 0.0010250600000000, -0.0003721200000000 ] - [ -0.0004423000000000, -0.0001333100000000, 0.0003698800000000 ] - [ 0.0003544700000000, -0.0002624500000000, 0.0001191400000000 ] - [ 0.0022011700000000, 0.0019251200000000, 0.0007038500000000 ] - [ 0.0042519800000000, -0.0012565200000000, 0.0017592300000000 ] - [ 0.0002165600000000, -0.0001607800000000, 0.0000359500000000 ] - [ -0.0001355800000000, -0.0000313100000000, -0.0000658300000000 ] - [ -0.0003416100000000, -0.0002005600000000, 0.0000878800000000 ] - [ -0.0002547900000000, -0.0000155500000000, 0.0001660600000000 ] - [ -0.0006800800000000, 0.0003073400000000, 0.0000220700000000 ] - [ 0.0007326000000000, 0.0000163400000000, -0.0001911500000000 ] - [ 0.0003303100000000, 0.0003931300000000, 0.0000942700000000 ] - [ -0.0004857900000000, -0.0003832600000000, -0.0000107700000000 ] - [ 0.0004266800000000, 0.0004270700000000, -0.0002036300000000 ] - [ -0.0005352200000000, -0.0002025500000000, 0.0003258800000000 ] - [ 0.1056884500000000, 0.0771613100000000, 0.0794207200000000 ] - [ 0.0017606800000000, 0.0034055100000000, 0.0000135900000000 ] - [ -0.0001565400000000, -0.0003280200000000, -0.0003440000000000 ] - [ 0.0003873700000000, -0.0019019700000000, 0.0009519100000000 ] - [ -0.0028625800000000, -0.0005365700000000, 0.0009769300000000 ] - [ -0.0001766700000000, -0.0003270300000000, -0.0002357800000000 ] - [ 0.0077648300000000, -0.0051388800000000, 0.0030357400000000 ] - [ -0.0000074800000000, 0.0000194700000000, -0.0003228400000000 ] - [ -0.0024430300000000, 0.0001447800000000, 0.0002494600000000 ] - [ 0.0012369600000000, 0.0010752200000000, -0.0018982300000000 ] - [ 0.0007970700000000, -0.0000115200000000, -0.0008638700000000 ] - [ -0.0018331300000000, -0.0008662400000000, -0.0011887800000000 ] - [ -0.0019453300000000, 0.0001255900000000, 0.0006139000000000 ] - [ -0.0006527800000000, -0.0013632600000000, 0.0007106100000000 ] - [ -0.0004411000000000, 0.0007225100000000, -0.0005245600000000 ] - [ -0.0012774700000000, -0.0003184400000000, -0.0001661500000000 ] - [ -0.0017676500000000, 0.0007778700000000, 0.0005034200000000 ] - [ 0.0010288900000000, -0.0002853600000000, 0.0011475000000000 ] - [ -0.0028893000000000, -0.0005229900000000, -0.0011777500000000 ] - [ 0.0016169500000000, -0.0004100800000000, -0.0012248200000000 ] - [ -0.0011093300000000, -0.0006234800000000, 0.0003594200000000 ] - [ 0.0003995000000000, 0.0005202200000000, 0.0002146000000000 ] - [ -0.0027089600000000, 0.0002722900000000, 0.0014542300000000 ] - [ -0.1179929600000000, -0.0972599000000000, -0.1006660700000000 ] - [ 0.0117019700000000, 0.0076954300000000, 0.0221237100000000 ] - [ 0.0012650800000000, -0.0002872700000000, -0.0000880300000000 ] - [ -0.0002169300000000, -0.0002465300000000, 0.0004501400000000 ] - [ -0.0006519400000000, 0.0001534000000000, 0.0024058300000000 ] - [ -0.0003866300000000, 0.0003551800000000, -0.0003352300000000 ] - [ 0.0007557400000000, 0.0004719200000000, -0.0000302600000000 ] - [ -0.0003075400000000, -0.0000174000000000, 0.0001035500000000 ] - [ -0.0001530800000000, 0.0000863300000000, -0.0005354900000000 ] - [ 0.0005295000000000, -0.0007853600000000, 0.0002665500000000 ] - [ 0.0000193000000000, -0.0000015900000000, 0.0001437800000000 ] - [ -0.0006416300000000, -0.0000485500000000, 0.0008737700000000 ] - [ 0.0006418500000000, 0.0001439700000000, 0.0003869200000000 ] - [ -0.0008677600000000, 0.0002915800000000, -0.0000348500000000 ] - [ 0.0005828800000000, 0.0007713900000000, -0.0000886300000000 ] - [ 0.0019592000000000, 0.0000663700000000, -0.0003617000000000 ] - [ -0.0002179400000000, -0.0001511600000000, 0.0004040600000000 ] - [ 0.0005970800000000, -0.0002969300000000, -0.0005471000000000 ] - [ 0.0008554800000000, 0.0019257600000000, -0.0001829700000000 ] - [ -0.0000914000000000, 0.0000928700000000, -0.0002407500000000 ] - [ 0.0012495200000000, 0.0000691100000000, 0.0001606200000000 ] - [ 0.0022590400000000, 0.0001088300000000, -0.0001295500000000 ] - [ -0.0000476700000000, 0.0000467200000000, -0.0000144500000000 ] - [ 0.0002054000000000, -0.0002148600000000, -0.0001927100000000 ] - [ 0.0005250200000000, -0.0001210900000000, -0.0000836100000000 ] - [ 0.0000456900000000, -0.0000405000000000, 0.0000386200000000 ] - [ 0.0005974300000000, 0.0006787600000000, 0.0006838100000000 ] - [ 0.0001039200000000, -0.0000246700000000, -0.0002956700000000 ] - [ 0.0002796400000000, 0.0001511800000000, 0.0000522600000000 ] - [ -0.0003642700000000, -0.0000105700000000, -0.0003343800000000 ] - [ -0.0000621000000000, 0.0023229700000000, -0.0009358400000000 ] - [ 0.0004141400000000, -0.0000955300000000, 0.0002739800000000 ] - [ 0.0002926300000000, 0.0003096100000000, -0.0003788000000000 ] - [ 0.0013858800000000, -0.0001041100000000, -0.0012300600000000 ] - [ -0.0003045900000000, -0.0006384400000000, -0.0004843300000000 ] - [ -0.0001956400000000, 0.0001828000000000, -0.0000828900000000 ] - [ 0.0006402000000000, -0.0001824600000000, 0.0003549500000000 ] - [ -0.0006544300000000, 0.0007955100000000, -0.0005360400000000 ] - [ 0.0004171300000000, -0.0000978100000000, 0.0001774000000000 ] - [ -0.0003003300000000, -0.0002900600000000, 0.0001460200000000 ] - [ -0.0021184500000000, 0.0174673400000000, -0.0001170500000000 ] - [ 0.0000177900000000, -0.0002322300000000, 0.0002237700000000 ] - [ 0.0014080600000000, -0.0003003100000000, 0.0000739100000000 ] - [ -0.0003951400000000, 0.0001101400000000, 0.0002261500000000 ] - [ 0.0006432400000000, 0.0003120900000000, -0.0000503400000000 ] - [ -0.0001252600000000, -0.0004981700000000, 0.0004351500000000 ] - [ 0.0001930000000000, 0.0003917300000000, -0.0001481000000000 ] - [ -0.0007584600000000, -0.0000230300000000, -0.0000062500000000 ] - [ 0.0001067000000000, 0.0003930800000000, 0.0000853200000000 ] - [ -0.0005650700000000, 0.0003310300000000, 0.0000985200000000 ] - [ 0.0011788900000000, 0.0000708400000000, -0.0003895300000000 ] - [ 0.0004886500000000, 0.0000425400000000, 0.0000507000000000 ] - [ -0.0002327800000000, -0.0003598200000000, -0.0001484000000000 ] - [ -0.0004570400000000, 0.0009242200000000, -0.0004829400000000 ] - [ -0.0074502700000000, -0.0063217400000000, -0.0064993900000000 ] - [ -0.0001055000000000, -0.0001879000000000, 0.0003058700000000 ] - [ -0.0003451500000000, -0.0006815000000000, -0.0004146500000000 ] - [ -0.0000201600000000, 0.0001042400000000, 0.0004143800000000 ] - [ -0.0003227500000000, -0.0021862500000000, -0.0013573500000000 ] - [ 0.0013796400000000, 0.0005717000000000, -0.0000753700000000 ] - [ 0.0016481600000000, -0.0008627400000000, 0.0004426400000000 ] - [ 0.0002507900000000, 0.0006943400000000, 0.0001663200000000 ] - [ 0.0008248000000000, -0.0001671800000000, 0.0001232700000000 ]- atom: 70 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010645400000000, 0.0005760700000000, 0.0012707300000000 ] - [ 0.0000922500000000, 0.0000509100000000, 0.0002424400000000 ] - [ -0.0000206300000000, -0.0006687200000000, 0.0000324400000000 ] - [ 0.0001510400000000, -0.0000399000000000, -0.0001859000000000 ] - [ -0.0003296700000000, -0.0003888800000000, -0.0002423100000000 ] - [ 0.0002303400000000, 0.0000676600000000, 0.0000799200000000 ] - [ 0.0013014700000000, 0.0002067700000000, -0.0029620200000000 ] - [ -0.0001341700000000, 0.0000180600000000, -0.0001269600000000 ] - [ -0.0002329000000000, 0.0008398700000000, 0.0003863400000000 ] - [ -0.0001407800000000, -0.0000071800000000, 0.0000044800000000 ] - [ 0.0003377400000000, -0.0000199500000000, 0.0001347900000000 ] - [ -0.0029324200000000, -0.0005086500000000, -0.0004516100000000 ] - [ 0.0002072600000000, 0.0000821500000000, 0.0001612800000000 ] - [ 0.0004767800000000, -0.0002286900000000, 0.0000477100000000 ] - [ -0.0001449000000000, 0.0000524500000000, -0.0002031400000000 ] - [ -0.0004002800000000, -0.0001486300000000, -0.0000659200000000 ] - [ 0.0023300800000000, 0.0007855000000000, -0.0005319600000000 ] - [ 0.0000198200000000, 0.0002225500000000, 0.0001135500000000 ] - [ 0.0010033500000000, 0.0001829000000000, -0.0001031000000000 ] - [ 0.0027366800000000, -0.0023204600000000, -0.0007950000000000 ] - [ 0.0004338700000000, 0.0001857300000000, 0.0004097800000000 ] - [ 0.0003865800000000, 0.0000015700000000, 0.0000655600000000 ] - [ 0.0003499100000000, -0.0000015100000000, 0.0001495600000000 ] - [ 0.0000333700000000, 0.0003098500000000, 0.0001192600000000 ] - [ -0.0001362400000000, 0.0004390700000000, -0.0000009200000000 ] - [ 0.0011895400000000, -0.0001319000000000, -0.0002579800000000 ] - [ 0.0002091000000000, 0.0000388300000000, 0.0001412100000000 ] - [ 0.0000124800000000, 0.0000061000000000, -0.0003373300000000 ] - [ -0.0003982200000000, -0.0002743500000000, 0.0003097300000000 ] - [ -0.0003240400000000, -0.0002104600000000, -0.0003803000000000 ] - [ 0.0015726400000000, -0.0005508600000000, 0.0014860400000000 ] - [ -0.0017453300000000, -0.0008138500000000, 0.0003547900000000 ] - [ 0.0001682700000000, 0.0002964100000000, -0.0000647800000000 ] - [ -0.0001622600000000, 0.0000466900000000, -0.0001480800000000 ] - [ -0.0021557400000000, -0.0017105900000000, -0.0006947700000000 ] - [ -0.0046214800000000, 0.0014609000000000, -0.0020968100000000 ] - [ -0.0001831700000000, -0.0000511800000000, -0.0000230500000000 ] - [ 0.0003291000000000, -0.0001865200000000, 0.0000939800000000 ] - [ 0.0003758300000000, -0.0000133300000000, -0.0000984300000000 ] - [ 0.0002413000000000, 0.0000647200000000, -0.0000500400000000 ] - [ 0.0005826800000000, 0.0001253600000000, 0.0006144000000000 ] - [ -0.0008370100000000, -0.0005004300000000, -0.0002054400000000 ] - [ -0.0002270200000000, 0.0000895500000000, 0.0003050500000000 ] - [ 0.0005844700000000, 0.0008685900000000, -0.0003878900000000 ] - [ -0.0003268300000000, 0.0000082800000000, 0.0008397000000000 ] - [ 0.0002291600000000, 0.0002677300000000, -0.0000481900000000 ] - [ -0.1052397300000000, -0.0740756500000000, -0.0772709000000000 ] - [ -0.0015380200000000, -0.0034007600000000, -0.0003182800000000 ] - [ 0.0002528100000000, -0.0001059500000000, -0.0002899500000000 ] - [ -0.0007059400000000, 0.0018470400000000, -0.0012338700000000 ] - [ 0.0027722000000000, 0.0001073700000000, -0.0003410300000000 ] - [ 0.0002781500000000, -0.0001532300000000, -0.0001629400000000 ] - [ -0.0078751400000000, 0.0056120300000000, -0.0036916500000000 ] - [ -0.0003032000000000, 0.0000450700000000, 0.0000444200000000 ] - [ 0.0023548900000000, -0.0006304300000000, 0.0001492900000000 ] - [ -0.0009335900000000, -0.0010125500000000, 0.0016267600000000 ] - [ -0.0008963600000000, -0.0004238200000000, 0.0002306300000000 ] - [ 0.0019322900000000, 0.0013108200000000, 0.0005572900000000 ] - [ 0.0022586000000000, -0.0000607900000000, -0.0003320500000000 ] - [ 0.0007577100000000, 0.0009371300000000, -0.0000765900000000 ] - [ 0.0001343900000000, -0.0007841700000000, 0.0008019100000000 ] - [ 0.0015888900000000, 0.0002517900000000, 0.0004445900000000 ] - [ 0.0016689600000000, -0.0002992500000000, -0.0001074100000000 ] - [ -0.0009267600000000, -0.0001929700000000, -0.0007492400000000 ] - [ 0.0031068400000000, 0.0003511100000000, 0.0008781600000000 ] - [ -0.0019183700000000, 0.0006894300000000, 0.0010111200000000 ] - [ 0.0012294100000000, 0.0007084600000000, 0.0002712900000000 ] - [ -0.0006022900000000, -0.0006913600000000, -0.0005271300000000 ] - [ 0.0027522600000000, -0.0003311500000000, -0.0013600400000000 ] - [ 0.1174971100000000, 0.0939591600000000, 0.0978013100000000 ] - [ -0.0118914900000000, -0.0073559500000000, -0.0215948500000000 ] - [ -0.0011522300000000, 0.0002078000000000, -0.0005446600000000 ] - [ -0.0000853800000000, 0.0002013600000000, -0.0006341700000000 ] - [ 0.0007670000000000, -0.0003782600000000, -0.0019258600000000 ] - [ 0.0002054200000000, -0.0005833600000000, 0.0003263600000000 ] - [ -0.0006494000000000, -0.0002519400000000, -0.0004539100000000 ] - [ 0.0001263700000000, 0.0002409600000000, -0.0001146000000000 ] - [ 0.0000371400000000, -0.0000042100000000, -0.0000969700000000 ] - [ -0.0006396800000000, 0.0010026900000000, -0.0007499200000000 ] - [ -0.0000597500000000, 0.0000458400000000, -0.0000628500000000 ] - [ 0.0006852700000000, 0.0000927000000000, -0.0007959100000000 ] - [ -0.0006018400000000, -0.0001869700000000, -0.0004695300000000 ] - [ 0.0011647600000000, -0.0005676400000000, -0.0001832900000000 ] - [ -0.0007637000000000, -0.0005511900000000, 0.0001004000000000 ] - [ -0.0017536100000000, 0.0001015900000000, 0.0006715600000000 ] - [ 0.0001112900000000, -0.0000691700000000, 0.0000838400000000 ] - [ -0.0004902900000000, 0.0000752800000000, 0.0000576600000000 ] - [ -0.0008959000000000, -0.0019783800000000, 0.0002685200000000 ] - [ -0.0001150000000000, 0.0000732700000000, -0.0000692500000000 ] - [ -0.0012122900000000, -0.0000259900000000, -0.0002448700000000 ] - [ -0.0020894400000000, -0.0003335600000000, 0.0001193700000000 ] - [ 0.0003528700000000, -0.0000927000000000, -0.0001671600000000 ] - [ -0.0000462800000000, -0.0003199800000000, -0.0000728800000000 ] - [ -0.0003443300000000, 0.0003478100000000, 0.0000738300000000 ] - [ -0.0002244200000000, -0.0001848900000000, -0.0000288700000000 ] - [ -0.0009046200000000, -0.0006314900000000, -0.0005020300000000 ] - [ -0.0002135900000000, -0.0001948600000000, -0.0001893500000000 ] - [ -0.0002788500000000, -0.0001505000000000, -0.0000530500000000 ] - [ 0.0000670200000000, -0.0002654500000000, 0.0005545500000000 ] - [ 0.0000578100000000, -0.0023323900000000, 0.0009393600000000 ] - [ -0.0002086300000000, -0.0000714100000000, 0.0000360200000000 ] - [ -0.0003364500000000, -0.0002657300000000, 0.0002998900000000 ] - [ -0.0016929400000000, 0.0000606400000000, 0.0014079800000000 ] - [ 0.0004594000000000, 0.0011684600000000, 0.0007489600000000 ] - [ 0.0004912200000000, 0.0000913000000000, -0.0001361900000000 ] - [ -0.0003375700000000, 0.0002268600000000, -0.0001732400000000 ] - [ 0.0009639700000000, -0.0007496700000000, 0.0003541500000000 ] - [ -0.0001224400000000, -0.0001780400000000, 0.0000411300000000 ] - [ 0.0004807300000000, 0.0000669900000000, -0.0001363800000000 ] - [ 0.0022379000000000, -0.0171750000000000, 0.0001397300000000 ] - [ 0.0001372500000000, -0.0002996000000000, 0.0000401900000000 ] - [ -0.0014104700000000, 0.0002960800000000, -0.0000739500000000 ] - [ 0.0003950200000000, -0.0001101900000000, -0.0002266600000000 ] - [ -0.0003443400000000, -0.0000363500000000, 0.0002672300000000 ] - [ 0.0000823700000000, 0.0004519200000000, -0.0005153800000000 ] - [ -0.0000369000000000, 0.0001382100000000, -0.0001161400000000 ] - [ 0.0009674700000000, 0.0001922400000000, -0.0003058100000000 ] - [ -0.0003177000000000, -0.0002284700000000, 0.0002229800000000 ] - [ 0.0004090600000000, 0.0002023900000000, -0.0003653700000000 ] - [ -0.0013400500000000, 0.0004637200000000, 0.0006572100000000 ] - [ -0.0001882400000000, -0.0000889800000000, 0.0001297200000000 ] - [ 0.0001153500000000, 0.0002754900000000, -0.0004837600000000 ] - [ 0.0003524900000000, -0.0007073500000000, 0.0009724900000000 ] - [ 0.0076247400000000, 0.0060952300000000, 0.0070246300000000 ] - [ -0.0001024700000000, 0.0000203300000000, 0.0000037200000000 ] - [ 0.0004721800000000, 0.0008794700000000, 0.0008911700000000 ] - [ -0.0000945500000000, -0.0000222100000000, 0.0002184600000000 ] - [ 0.0000422600000000, 0.0022394900000000, 0.0011919700000000 ] - [ -0.0012691900000000, -0.0004897700000000, -0.0005595700000000 ] - [ -0.0019558700000000, 0.0005948700000000, -0.0006656300000000 ] - [ -0.0003649500000000, -0.0007805000000000, 0.0004676800000000 ] - [ -0.0009840800000000, -0.0003664100000000, 0.0001448200000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005772000000000, 0.0003059300000000, -0.0012463500000000 ] - [ -0.0001680200000000, 0.0002472600000000, -0.0000061000000000 ] - [ 0.0006548600000000, -0.0005605800000000, 0.0003628600000000 ] - [ 0.0003196700000000, -0.0003455400000000, -0.0002015400000000 ] - [ 0.0002710000000000, 0.0002886900000000, -0.0004861400000000 ] - [ 0.0000107700000000, 0.0002159200000000, -0.0000280900000000 ] - [ -0.0004951400000000, 0.0029385600000000, 0.0007202400000000 ] - [ 0.0000853400000000, -0.0003817100000000, 0.0000982900000000 ] - [ -0.0007373100000000, -0.0008703300000000, -0.0007501600000000 ] - [ 0.0000251000000000, -0.0003399400000000, -0.0002708000000000 ] - [ -0.0000453800000000, 0.0001644300000000, -0.0000623700000000 ] - [ 0.0003127500000000, 0.0030095800000000, 0.0003763700000000 ] - [ -0.0002063100000000, -0.0004469500000000, -0.0000788400000000 ] - [ 0.0001434700000000, -0.0003995000000000, 0.0001359200000000 ] - [ 0.0003395200000000, -0.0015288700000000, -0.0001562800000000 ] - [ 0.0006996000000000, -0.0011099700000000, 0.0003674100000000 ] - [ -0.0016670400000000, 0.0005757100000000, 0.0002210900000000 ] - [ -0.0001013800000000, -0.0000661900000000, -0.0000890600000000 ] - [ -0.0001306300000000, 0.0002941800000000, 0.0001888900000000 ] - [ 0.0023738500000000, 0.0005343900000000, 0.0002094400000000 ] - [ -0.0004726400000000, 0.0002235000000000, -0.0003647200000000 ] - [ 0.0002440800000000, 0.0000544700000000, -0.0000156900000000 ] - [ 0.0000579000000000, -0.0004563900000000, 0.0001248700000000 ] - [ -0.0001396200000000, -0.0002568900000000, -0.0010953500000000 ] - [ -0.0001037800000000, -0.0016559600000000, -0.0002441200000000 ] - [ 0.0002533700000000, 0.0004120900000000, -0.0001243200000000 ] - [ 0.0000707300000000, -0.0001085400000000, 0.0000643000000000 ] - [ -0.0000799600000000, 0.0001405900000000, 0.0001510900000000 ] - [ 0.0000585500000000, 0.0001325500000000, 0.0001351100000000 ] - [ 0.0002816000000000, 0.0003547000000000, -0.0006129600000000 ] - [ -0.0002621700000000, 0.0004612200000000, 0.0001408800000000 ] - [ 0.0007598200000000, 0.0000902700000000, 0.0027059900000000 ] - [ -0.0004383000000000, 0.0000861000000000, 0.0004394300000000 ] - [ 0.0000517200000000, -0.0007646000000000, 0.0006176500000000 ] - [ 0.0014092400000000, 0.0116521100000000, 0.0043257400000000 ] - [ -0.0011650700000000, 0.0031726900000000, -0.0006784700000000 ] - [ -0.0000071300000000, -0.0005427700000000, -0.0003549400000000 ] - [ 0.0001078200000000, -0.0002828600000000, 0.0000315000000000 ] - [ -0.0001301100000000, -0.0004597000000000, 0.0000511300000000 ] - [ -0.0001246100000000, -0.0001836800000000, 0.0002232900000000 ] - [ -0.0001927600000000, 0.0002103700000000, 0.0000439800000000 ] - [ 0.0001378200000000, 0.0004645200000000, -0.0002033400000000 ] - [ -0.0000728000000000, -0.0005225100000000, 0.0002348100000000 ] - [ -0.0003611200000000, -0.0014193500000000, -0.0003385400000000 ] - [ 0.0000740400000000, 0.0001888000000000, 0.0004377400000000 ] - [ -0.0002290200000000, -0.0012805200000000, 0.0005108900000000 ] - [ 0.0785901400000000, 0.1399337100000000, 0.0985269300000000 ] - [ 0.0078266300000000, -0.0073661800000000, -0.0009503800000000 ] - [ 0.0001842300000000, -0.0007149800000000, -0.0005875900000000 ] - [ -0.0024300800000000, -0.0015471600000000, 0.0020729800000000 ] - [ -0.0004729300000000, 0.0013914300000000, 0.0000418300000000 ] - [ -0.0000521400000000, -0.0006997300000000, -0.0003517800000000 ] - [ 0.0055546400000000, -0.0120993800000000, 0.0047540500000000 ] - [ -0.0000674700000000, -0.0006827600000000, -0.0000765600000000 ] - [ 0.0001236300000000, 0.0005409800000000, 0.0003756500000000 ] - [ 0.0007061900000000, 0.0016586900000000, -0.0014350400000000 ] - [ 0.0002002600000000, 0.0007724100000000, -0.0004792600000000 ] - [ -0.0028291400000000, -0.0000950600000000, -0.0001550100000000 ] - [ 0.0000585400000000, 0.0007025200000000, 0.0000331400000000 ] - [ -0.0019670400000000, -0.0043045600000000, 0.0012627000000000 ] - [ -0.0001220500000000, -0.0003422600000000, 0.0005413600000000 ] - [ -0.0003914900000000, 0.0001581300000000, -0.0002445600000000 ] - [ -0.0003295300000000, 0.0008415000000000, 0.0000586900000000 ] - [ 0.0011502200000000, -0.0030102600000000, 0.0005534200000000 ] - [ -0.0014348700000000, 0.0021937700000000, -0.0032448000000000 ] - [ 0.0002298700000000, -0.0004646100000000, -0.0003496700000000 ] - [ -0.0006817200000000, -0.0009467500000000, 0.0002983400000000 ] - [ 0.0023859700000000, 0.0006784900000000, 0.0001077200000000 ] - [ -0.0020520400000000, 0.0028728400000000, 0.0005371000000000 ] - [ -0.0975863900000000, -0.1762563800000000, -0.1280115300000000 ] - [ -0.0001559700000000, -0.0088587000000000, 0.0008989300000000 ] - [ 0.0004004200000000, -0.0004449300000000, -0.0000984100000000 ] - [ 0.0000343800000000, -0.0006996900000000, 0.0004336000000000 ] - [ 0.0006810500000000, -0.0018761800000000, 0.0021860300000000 ] - [ -0.0002938400000000, 0.0022947600000000, -0.0008019100000000 ] - [ 0.0004537200000000, 0.0002201500000000, 0.0000611500000000 ] - [ -0.0001679900000000, 0.0004583800000000, 0.0000067600000000 ] - [ -0.0008343200000000, 0.0012800500000000, -0.0000532600000000 ] - [ -0.0003179900000000, 0.0002003500000000, -0.0007123200000000 ] - [ -0.0000092100000000, 0.0003120800000000, 0.0001379500000000 ] - [ -0.0002251900000000, -0.0004090500000000, 0.0005600100000000 ] - [ 0.0002235700000000, 0.0000787800000000, 0.0002414000000000 ] - [ -0.0014001200000000, 0.0016314000000000, 0.0009273100000000 ] - [ 0.0005823800000000, 0.0012027000000000, -0.0003741900000000 ] - [ 0.0000385500000000, -0.0008560900000000, 0.0000274500000000 ] - [ -0.0001743300000000, 0.0006041200000000, 0.0000874100000000 ] - [ 0.0000566500000000, -0.0004278800000000, -0.0002507000000000 ] - [ 0.0016476300000000, 0.0008936800000000, -0.0005364700000000 ] - [ -0.0002253100000000, 0.0005493400000000, 0.0000347900000000 ] - [ 0.0001822700000000, -0.0005124300000000, 0.0002096100000000 ] - [ -0.0002867000000000, -0.0010059100000000, 0.0002128900000000 ] - [ 0.0001503500000000, 0.0005169700000000, -0.0000546600000000 ] - [ 0.0000246300000000, 0.0008380900000000, -0.0000427700000000 ] - [ 0.0000549500000000, -0.0001105700000000, 0.0000334700000000 ] - [ -0.0001527300000000, 0.0003212000000000, 0.0001798300000000 ] - [ 0.0003807200000000, -0.0000480300000000, 0.0003021000000000 ] - [ -0.0000007300000000, 0.0003184300000000, -0.0002530100000000 ] - [ 0.0000913200000000, 0.0002192400000000, 0.0001316100000000 ] - [ -0.0000974400000000, -0.0002736900000000, -0.0002155800000000 ] - [ 0.0020574800000000, 0.0054631600000000, -0.0014374700000000 ] - [ 0.0001659100000000, -0.0001097800000000, 0.0002484300000000 ] - [ 0.0006834600000000, 0.0009842000000000, -0.0007773800000000 ] - [ 0.0000747700000000, -0.0010211400000000, 0.0001974700000000 ] - [ -0.0008180200000000, 0.0015208200000000, 0.0004412900000000 ] - [ 0.0002128200000000, 0.0008828500000000, -0.0000652800000000 ] - [ 0.0001130900000000, 0.0001890900000000, -0.0000727700000000 ] - [ 0.0011993700000000, 0.0024649600000000, -0.0019397900000000 ] - [ 0.0001868200000000, 0.0000343600000000, 0.0002796400000000 ] - [ -0.0000949200000000, -0.0008239700000000, 0.0000458200000000 ] - [ 0.0125642000000000, 0.0225491200000000, 0.0021221200000000 ] - [ 0.0000456100000000, 0.0001520500000000, 0.0001551000000000 ] - [ 0.0012504800000000, -0.0011267900000000, 0.0000890300000000 ] - [ 0.0000624400000000, -0.0003304400000000, -0.0001121100000000 ] - [ 0.0004615800000000, 0.0008178300000000, -0.0000887900000000 ] - [ -0.0001241500000000, -0.0000710900000000, -0.0001859300000000 ] - [ 0.0002038000000000, 0.0004233600000000, -0.0001194900000000 ] - [ 0.0000485800000000, -0.0008879800000000, -0.0001594800000000 ] - [ 0.0004109200000000, 0.0014040500000000, 0.0001873300000000 ] - [ -0.0001420200000000, 0.0001109900000000, 0.0002137200000000 ] - [ 0.0001183200000000, 0.0001336900000000, -0.0001536600000000 ] - [ 0.0003033400000000, 0.0004641500000000, 0.0000536800000000 ] - [ 0.0000024800000000, 0.0003552500000000, -0.0005588900000000 ] - [ 0.0006036200000000, 0.0001495400000000, -0.0009335800000000 ] - [ -0.0029430400000000, 0.0107718100000000, 0.0180043700000000 ] - [ -0.0001699500000000, -0.0000273200000000, 0.0002455200000000 ] - [ -0.0015901900000000, 0.0027108700000000, 0.0023254000000000 ] - [ -0.0001585400000000, 0.0005479000000000, 0.0004131100000000 ] - [ -0.0032038000000000, 0.0003921000000000, -0.0000987400000000 ] - [ -0.0001596700000000, -0.0004706900000000, -0.0004251200000000 ] - [ -0.0004417500000000, -0.0003079100000000, -0.0003286800000000 ] - [ 0.0009681900000000, 0.0013425700000000, 0.0001576300000000 ] - [ 0.0000194800000000, -0.0005537900000000, 0.0002100200000000 ]- atom: 70 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005849200000000, -0.0002518000000000, 0.0013732700000000 ] - [ 0.0000203800000000, -0.0001538300000000, 0.0001709600000000 ] - [ -0.0006861600000000, 0.0007770500000000, -0.0003527600000000 ] - [ -0.0005123900000000, 0.0005643900000000, 0.0001741300000000 ] - [ -0.0004667500000000, -0.0005101300000000, 0.0005156600000000 ] - [ 0.0000230500000000, -0.0000048200000000, 0.0000192400000000 ] - [ 0.0002012900000000, -0.0031141200000000, -0.0010137200000000 ] - [ 0.0000623500000000, 0.0002878800000000, -0.0002616800000000 ] - [ 0.0005423400000000, 0.0010902400000000, 0.0007716900000000 ] - [ -0.0000396200000000, 0.0002919600000000, 0.0001575900000000 ] - [ 0.0000595200000000, -0.0002135000000000, -0.0000530900000000 ] - [ -0.0002891900000000, -0.0030554400000000, -0.0002929900000000 ] - [ 0.0001951800000000, 0.0004001000000000, 0.0001961300000000 ] - [ 0.0000041300000000, 0.0003045700000000, 0.0000258900000000 ] - [ -0.0000631800000000, 0.0013681500000000, -0.0001512300000000 ] - [ -0.0007191000000000, 0.0011622400000000, -0.0004885100000000 ] - [ 0.0015230600000000, -0.0006601300000000, -0.0000645000000000 ] - [ 0.0000680300000000, 0.0002814600000000, 0.0000801500000000 ] - [ 0.0003258400000000, -0.0000804800000000, -0.0001631100000000 ] - [ -0.0024020000000000, -0.0007689000000000, -0.0002273900000000 ] - [ 0.0002825800000000, -0.0004437200000000, 0.0003401000000000 ] - [ 0.0000315800000000, 0.0001074000000000, 0.0003216900000000 ] - [ 0.0002185500000000, 0.0002936400000000, 0.0001790700000000 ] - [ 0.0004181000000000, 0.0004212000000000, 0.0007996000000000 ] - [ 0.0002552500000000, 0.0017601200000000, 0.0000824800000000 ] - [ -0.0002401800000000, -0.0003628200000000, 0.0000076600000000 ] - [ 0.0000773100000000, 0.0002020400000000, 0.0000995100000000 ] - [ 0.0000467600000000, -0.0003563800000000, -0.0001397600000000 ] - [ -0.0003345500000000, 0.0000330300000000, -0.0004403300000000 ] - [ -0.0004302100000000, -0.0004480200000000, 0.0004506600000000 ] - [ -0.0000006400000000, -0.0006314500000000, 0.0001741200000000 ] - [ -0.0005743700000000, 0.0001079600000000, -0.0027382200000000 ] - [ 0.0001620200000000, 0.0000807500000000, -0.0001334100000000 ] - [ 0.0001405300000000, 0.0005499800000000, -0.0006424900000000 ] - [ -0.0014972400000000, -0.0119790400000000, -0.0046194200000000 ] - [ 0.0009855800000000, -0.0030879000000000, 0.0004925500000000 ] - [ 0.0000399900000000, 0.0003317000000000, 0.0003651600000000 ] - [ 0.0000852600000000, 0.0000678200000000, -0.0000036300000000 ] - [ 0.0001629600000000, 0.0002487300000000, -0.0000618100000000 ] - [ 0.0001127600000000, 0.0002316100000000, -0.0001082500000000 ] - [ 0.0000973400000000, 0.0002276100000000, 0.0005938000000000 ] - [ -0.0002414300000000, -0.0009464700000000, -0.0001951600000000 ] - [ 0.0001716300000000, 0.0010023800000000, 0.0001616800000000 ] - [ 0.0004650900000000, 0.0019059700000000, -0.0000608900000000 ] - [ 0.0000223300000000, 0.0002407500000000, 0.0002011600000000 ] - [ -0.0000839000000000, 0.0013476500000000, -0.0002283700000000 ] - [ -0.0749256200000000, -0.1364276000000000, -0.0941555100000000 ] - [ -0.0075138400000000, 0.0073130500000000, 0.0006609100000000 ] - [ -0.0000840200000000, 0.0002838500000000, -0.0000470900000000 ] - [ 0.0021376200000000, 0.0014850600000000, -0.0023704700000000 ] - [ 0.0003812500000000, -0.0018363100000000, 0.0005942300000000 ] - [ 0.0001565000000000, 0.0002175400000000, -0.0000450600000000 ] - [ -0.0056128200000000, 0.0124871200000000, -0.0053681100000000 ] - [ -0.0002403800000000, 0.0007490700000000, -0.0001991600000000 ] - [ -0.0002264600000000, -0.0010222400000000, 0.0000237900000000 ] - [ -0.0004005300000000, -0.0016017400000000, 0.0011620400000000 ] - [ -0.0003000700000000, -0.0012119000000000, -0.0001517600000000 ] - [ 0.0029457300000000, 0.0005247500000000, -0.0004878200000000 ] - [ 0.0002562400000000, -0.0006423100000000, 0.0002443100000000 ] - [ 0.0020548600000000, 0.0038681100000000, -0.0006261100000000 ] - [ -0.0001872000000000, 0.0002718800000000, -0.0002623400000000 ] - [ 0.0007077800000000, -0.0002142000000000, 0.0005210900000000 ] - [ 0.0002322800000000, -0.0003576100000000, 0.0003418800000000 ] - [ -0.0010631700000000, 0.0025362300000000, -0.0001561200000000 ] - [ 0.0016349700000000, -0.0023601000000000, 0.0029203100000000 ] - [ -0.0005241900000000, 0.0007393700000000, 0.0001287600000000 ] - [ 0.0008018700000000, 0.0010350600000000, 0.0003372800000000 ] - [ -0.0026132300000000, -0.0008486600000000, -0.0004184800000000 ] - [ 0.0020801000000000, -0.0029208300000000, -0.0004431300000000 ] - [ 0.0936608700000000, 0.1730843000000000, 0.1231841000000000 ] - [ -0.0002895800000000, 0.0090314400000000, -0.0008207500000000 ] - [ -0.0002888800000000, 0.0003575300000000, -0.0005378900000000 ] - [ -0.0003397900000000, 0.0006568400000000, -0.0006173300000000 ] - [ -0.0005740700000000, 0.0016710100000000, -0.0017072200000000 ] - [ 0.0001181300000000, -0.0025199800000000, 0.0007911400000000 ] - [ -0.0003465400000000, -0.0000072500000000, -0.0005423600000000 ] - [ -0.0000104400000000, -0.0002326300000000, -0.0000179300000000 ] - [ 0.0007264000000000, -0.0011998200000000, -0.0005850200000000 ] - [ 0.0002089700000000, 0.0000254100000000, 0.0002282200000000 ] - [ -0.0000331700000000, -0.0002688700000000, -0.0000578800000000 ] - [ 0.0002680000000000, 0.0004576600000000, -0.0004822900000000 ] - [ -0.0001859900000000, -0.0001276200000000, -0.0003256100000000 ] - [ 0.0017101400000000, -0.0019158400000000, -0.0011558400000000 ] - [ -0.0007664100000000, -0.0009823400000000, 0.0003892500000000 ] - [ 0.0001660000000000, 0.0010260700000000, 0.0002826800000000 ] - [ 0.0000648000000000, -0.0008272700000000, 0.0003980800000000 ] - [ 0.0000504000000000, 0.0002103500000000, -0.0002361000000000 ] - [ -0.0016979000000000, -0.0009365800000000, 0.0006257900000000 ] - [ 0.0000165500000000, -0.0003837900000000, -0.0003430100000000 ] - [ -0.0001448500000000, 0.0005613400000000, -0.0002921400000000 ] - [ 0.0004689900000000, 0.0007853500000000, -0.0002242300000000 ] - [ 0.0001550600000000, -0.0005639200000000, -0.0001287600000000 ] - [ 0.0001309600000000, -0.0013760900000000, -0.0002227300000000 ] - [ 0.0001248700000000, 0.0003312000000000, -0.0000468200000000 ] - [ -0.0000267200000000, -0.0005465400000000, -0.0001696300000000 ] - [ -0.0006902800000000, 0.0000856400000000, -0.0001249200000000 ] - [ -0.0001068200000000, -0.0005403400000000, -0.0002354600000000 ] - [ -0.0000937900000000, -0.0002229000000000, -0.0001327300000000 ] - [ -0.0001995200000000, -0.0000054700000000, 0.0004367100000000 ] - [ -0.0020570800000000, -0.0054450500000000, 0.0014305200000000 ] - [ 0.0000402900000000, -0.0000594100000000, 0.0000605900000000 ] - [ -0.0007204500000000, -0.0009388000000000, 0.0006924400000000 ] - [ -0.0003866400000000, 0.0009782600000000, -0.0000126600000000 ] - [ 0.0009849800000000, -0.0009863000000000, -0.0001746900000000 ] - [ 0.0000855800000000, -0.0006079200000000, -0.0001503200000000 ] - [ 0.0001905000000000, -0.0001421500000000, 0.0002537600000000 ] - [ -0.0009011800000000, -0.0024323400000000, 0.0017739100000000 ] - [ 0.0001065100000000, -0.0003086300000000, -0.0000618700000000 ] - [ 0.0002760700000000, 0.0006018000000000, -0.0000359600000000 ] - [ -0.0120923500000000, -0.0220000500000000, -0.0020625700000000 ] - [ 0.0001117600000000, -0.0006854500000000, 0.0001093900000000 ] - [ -0.0012610200000000, 0.0011377300000000, -0.0000879300000000 ] - [ -0.0000623000000000, 0.0003335100000000, 0.0001111200000000 ] - [ -0.0001658600000000, -0.0005437200000000, 0.0003076000000000 ] - [ 0.0000838400000000, 0.0000292200000000, 0.0001022400000000 ] - [ -0.0000486800000000, 0.0001092300000000, -0.0001461800000000 ] - [ 0.0001614200000000, 0.0010585700000000, -0.0001533100000000 ] - [ -0.0006154000000000, -0.0012380100000000, 0.0001231900000000 ] - [ -0.0000130200000000, 0.0004203200000000, -0.0004812800000000 ] - [ -0.0002756100000000, 0.0003961400000000, 0.0004188900000000 ] - [ 0.0000013600000000, -0.0005111700000000, 0.0001263700000000 ] - [ -0.0001146600000000, -0.0004374100000000, -0.0000747600000000 ] - [ -0.0007148100000000, 0.0000772900000000, 0.0014307300000000 ] - [ 0.0030548000000000, -0.0108418400000000, -0.0171439300000000 ] - [ -0.0000372300000000, -0.0001380100000000, 0.0000610300000000 ] - [ 0.0016985700000000, -0.0024927900000000, -0.0018356600000000 ] - [ 0.0000424300000000, -0.0004637600000000, 0.0002195600000000 ] - [ 0.0028984000000000, -0.0003564300000000, -0.0000824800000000 ] - [ 0.0002731600000000, 0.0005556100000000, -0.0002096400000000 ] - [ 0.0001475200000000, 0.0000296000000000, 0.0001122100000000 ] - [ -0.0010887300000000, -0.0014310700000000, 0.0004797900000000 ] - [ -0.0001800100000000, 0.0000190900000000, 0.0000539100000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003665300000000, -0.0006445600000000, -0.0024969400000000 ] - [ 0.0000559800000000, 0.0000864800000000, -0.0006207400000000 ] - [ -0.0001565100000000, 0.0005422600000000, 0.0006795500000000 ] - [ 0.0002427900000000, -0.0002185900000000, -0.0000820900000000 ] - [ 0.0004478100000000, -0.0006772100000000, -0.0010002000000000 ] - [ -0.0000186500000000, 0.0001635700000000, -0.0004144200000000 ] - [ 0.0028486100000000, 0.0012116700000000, -0.0004299800000000 ] - [ 0.0001721400000000, 0.0000280500000000, -0.0004023900000000 ] - [ -0.0004203500000000, -0.0006556600000000, 0.0002691200000000 ] - [ 0.0000758600000000, -0.0000932500000000, -0.0004442000000000 ] - [ -0.0001848200000000, 0.0000501000000000, -0.0005768700000000 ] - [ -0.0006034000000000, -0.0005841800000000, 0.0027874100000000 ] - [ -0.0001362700000000, -0.0001604100000000, 0.0001006500000000 ] - [ 0.0000976500000000, -0.0000445300000000, 0.0003607600000000 ] - [ 0.0002081200000000, -0.0005926700000000, 0.0000233300000000 ] - [ 0.0000103700000000, 0.0000950900000000, 0.0004950400000000 ] - [ -0.0008509200000000, -0.0002522100000000, 0.0014981500000000 ] - [ 0.0000179300000000, 0.0000858800000000, -0.0005024100000000 ] - [ 0.0000996600000000, 0.0003501100000000, 0.0002729900000000 ] - [ 0.0004740300000000, 0.0003069600000000, 0.0021228500000000 ] - [ -0.0006945600000000, -0.0004244100000000, -0.0003141300000000 ] - [ 0.0002027700000000, -0.0000760700000000, 0.0000746100000000 ] - [ 0.0001039200000000, -0.0002173300000000, 0.0001769700000000 ] - [ -0.0000563700000000, -0.0004606100000000, -0.0008028900000000 ] - [ -0.0001181600000000, -0.0005746900000000, 0.0001542100000000 ] - [ 0.0001729600000000, 0.0000632200000000, 0.0005502100000000 ] - [ 0.0000487400000000, 0.0000472100000000, -0.0001399800000000 ] - [ 0.0000720400000000, 0.0000633300000000, -0.0007065500000000 ] - [ -0.0002935300000000, 0.0005820300000000, -0.0006737600000000 ] - [ 0.0002279500000000, 0.0000198600000000, -0.0011383700000000 ] - [ -0.0016259200000000, 0.0004718400000000, -0.0008145900000000 ] - [ 0.0001455400000000, 0.0024864600000000, -0.0017965900000000 ] - [ 0.0003382600000000, 0.0005663700000000, 0.0001371600000000 ] - [ 0.0001177000000000, 0.0003094000000000, -0.0002026000000000 ] - [ 0.0006581100000000, 0.0050684800000000, 0.0043169600000000 ] - [ 0.0012820100000000, -0.0005838300000000, 0.0034224400000000 ] - [ -0.0000251500000000, -0.0003534400000000, -0.0005970800000000 ] - [ 0.0000458600000000, -0.0000268300000000, -0.0001630400000000 ] - [ -0.0000181600000000, -0.0001969200000000, 0.0003084000000000 ] - [ 0.0000213800000000, 0.0000503500000000, -0.0000501400000000 ] - [ -0.0000328000000000, 0.0000106700000000, -0.0006566200000000 ] - [ -0.0000105700000000, 0.0001549400000000, -0.0034171300000000 ] - [ -0.0001075200000000, 0.0003415000000000, -0.0001422700000000 ] - [ 0.0001322300000000, -0.0000221900000000, 0.0004696800000000 ] - [ -0.0000539500000000, 0.0004931700000000, -0.0009664300000000 ] - [ 0.0000636000000000, -0.0002218400000000, 0.0001733000000000 ] - [ 0.0805612100000000, 0.0979929100000000, 0.1402247200000000 ] - [ 0.0085921600000000, -0.0102998900000000, 0.0034097100000000 ] - [ 0.0000224900000000, -0.0003984300000000, -0.0011658000000000 ] - [ 0.0000587500000000, 0.0005896700000000, 0.0012925500000000 ] - [ -0.0007760700000000, -0.0004986900000000, 0.0018380300000000 ] - [ -0.0000296000000000, -0.0003909400000000, -0.0007612800000000 ] - [ 0.0003088900000000, 0.0011728100000000, 0.0049395300000000 ] - [ -0.0002718400000000, -0.0000545000000000, -0.0006786500000000 ] - [ -0.0010599700000000, 0.0003729900000000, 0.0009685900000000 ] - [ -0.0000553300000000, 0.0004745300000000, -0.0041094600000000 ] - [ -0.0000521300000000, -0.0000326400000000, -0.0033309900000000 ] - [ -0.0006155900000000, 0.0000306500000000, 0.0017259300000000 ] - [ 0.0014945700000000, -0.0004722800000000, -0.0004498000000000 ] - [ 0.0002881200000000, -0.0005516400000000, 0.0011155900000000 ] - [ -0.0004198900000000, 0.0005189200000000, -0.0000832900000000 ] - [ -0.0007847200000000, -0.0007678400000000, 0.0000732900000000 ] - [ 0.0000705700000000, 0.0000192800000000, -0.0006897600000000 ] - [ 0.0010008000000000, -0.0012591000000000, 0.0007536800000000 ] - [ -0.0003443300000000, -0.0027639500000000, -0.0020645600000000 ] - [ -0.0010120400000000, 0.0003128200000000, 0.0006683700000000 ] - [ 0.0001190400000000, -0.0005950300000000, 0.0026680600000000 ] - [ 0.0012928400000000, 0.0004667900000000, -0.0007824600000000 ] - [ 0.0007627500000000, 0.0022521500000000, -0.0033794300000000 ] - [ -0.1011706500000000, -0.1283029400000000, -0.1673674500000000 ] - [ 0.0197077200000000, 0.0073326800000000, 0.0078049400000000 ] - [ 0.0004010100000000, 0.0001837400000000, -0.0001295800000000 ] - [ 0.0006613000000000, -0.0004212100000000, 0.0014717100000000 ] - [ 0.0014418900000000, 0.0003540300000000, 0.0039082800000000 ] - [ -0.0003078000000000, 0.0004144000000000, -0.0005050200000000 ] - [ 0.0003854200000000, 0.0004866900000000, -0.0004566900000000 ] - [ -0.0000117600000000, 0.0000182200000000, 0.0004264800000000 ] - [ -0.0004549800000000, 0.0004405000000000, -0.0002172800000000 ] - [ 0.0002377400000000, -0.0004885900000000, -0.0004608200000000 ] - [ 0.0001781500000000, 0.0000292500000000, 0.0005955600000000 ] - [ -0.0007500300000000, 0.0002280300000000, 0.0023529400000000 ] - [ 0.0003899200000000, 0.0002763700000000, 0.0004846600000000 ] - [ -0.0007650600000000, 0.0008880400000000, 0.0002504600000000 ] - [ 0.0000579100000000, 0.0005158600000000, -0.0006649700000000 ] - [ 0.0005773100000000, -0.0001530100000000, -0.0009042900000000 ] - [ 0.0000637500000000, -0.0002452300000000, 0.0004766100000000 ] - [ -0.0003252400000000, 0.0000738800000000, 0.0003655800000000 ] - [ -0.0002156900000000, -0.0002713500000000, -0.0014445000000000 ] - [ -0.0002526300000000, 0.0002697100000000, 0.0003190200000000 ] - [ -0.0002935900000000, 0.0003652200000000, -0.0005256500000000 ] - [ 0.0013257200000000, 0.0000761800000000, -0.0006342000000000 ] - [ 0.0001670500000000, 0.0001099800000000, 0.0003299200000000 ] - [ 0.0001379600000000, -0.0001769000000000, -0.0006301000000000 ] - [ 0.0000014400000000, 0.0004513400000000, 0.0005860800000000 ] - [ -0.0000960100000000, 0.0001317800000000, 0.0003855600000000 ] - [ 0.0007134000000000, 0.0007593600000000, 0.0007176200000000 ] - [ -0.0001238000000000, -0.0001485300000000, -0.0000564500000000 ] - [ 0.0001023000000000, 0.0002092500000000, 0.0003692100000000 ] - [ -0.0003904700000000, -0.0008850500000000, 0.0021673700000000 ] - [ -0.0000761500000000, 0.0000857000000000, -0.0008481500000000 ] - [ 0.0000321400000000, -0.0001205900000000, 0.0007476400000000 ] - [ -0.0000438100000000, 0.0000447300000000, -0.0003478900000000 ] - [ -0.0025271400000000, 0.0003884700000000, 0.0000783500000000 ] - [ -0.0005365100000000, 0.0005734600000000, -0.0003598500000000 ] - [ 0.0002568100000000, 0.0002847700000000, 0.0000390400000000 ] - [ 0.0003384000000000, -0.0001202400000000, 0.0003019700000000 ] - [ 0.0001416600000000, -0.0001530900000000, -0.0015769300000000 ] - [ 0.0001624500000000, 0.0000252100000000, 0.0004479100000000 ] - [ -0.0000252300000000, 0.0003141100000000, 0.0016024500000000 ] - [ -0.0016153800000000, -0.0016090900000000, -0.0082117900000000 ] - [ 0.0001702500000000, -0.0002882200000000, 0.0004807700000000 ] - [ 0.0003404800000000, -0.0000134800000000, -0.0006462900000000 ] - [ 0.0000082700000000, -0.0000211700000000, 0.0009061200000000 ] - [ 0.0002157400000000, 0.0003271000000000, -0.0002174200000000 ] - [ 0.0000406400000000, -0.0005354900000000, 0.0005643100000000 ] - [ 0.0000934300000000, 0.0002519600000000, 0.0003291400000000 ] - [ 0.0000829400000000, -0.0003470600000000, 0.0019924600000000 ] - [ -0.0001969300000000, 0.0002355700000000, -0.0004213600000000 ] - [ 0.0001516100000000, -0.0000791100000000, 0.0016001100000000 ] - [ 0.0004443300000000, -0.0000192200000000, -0.0007234800000000 ] - [ 0.0000845200000000, 0.0000693000000000, -0.0000341500000000 ] - [ -0.0000979900000000, -0.0002412600000000, -0.0002669300000000 ] - [ -0.0004443200000000, -0.0009132400000000, -0.0000193800000000 ] - [ -0.0055735500000000, 0.0236627600000000, 0.0125797300000000 ] - [ -0.0000813400000000, -0.0000290300000000, 0.0009492600000000 ] - [ -0.0020155800000000, 0.0032999600000000, 0.0017625700000000 ] - [ 0.0001229700000000, 0.0001062000000000, 0.0006081400000000 ] - [ -0.0028863000000000, 0.0010675200000000, -0.0021309300000000 ] - [ -0.0002488100000000, -0.0001638800000000, -0.0002334200000000 ] - [ 0.0009072000000000, -0.0007933900000000, 0.0001415200000000 ] - [ -0.0003093600000000, -0.0001520900000000, -0.0000876200000000 ] - [ -0.0000682800000000, -0.0003450600000000, 0.0009551600000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003763900000000, 0.0006922500000000, 0.0026143800000000 ] - [ -0.0002057100000000, 0.0000070800000000, 0.0007853400000000 ] - [ 0.0001214000000000, -0.0003294100000000, -0.0006707200000000 ] - [ -0.0004359500000000, 0.0004355600000000, 0.0000559300000000 ] - [ -0.0006437600000000, 0.0004647800000000, 0.0010309200000000 ] - [ 0.0000518100000000, 0.0000500100000000, 0.0004049000000000 ] - [ -0.0031432700000000, -0.0013750100000000, 0.0001529800000000 ] - [ -0.0000245800000000, -0.0001213600000000, 0.0002403900000000 ] - [ 0.0002284100000000, 0.0008754500000000, -0.0002361600000000 ] - [ -0.0000897800000000, 0.0000453800000000, 0.0003281600000000 ] - [ 0.0001988900000000, -0.0000989000000000, 0.0004611800000000 ] - [ 0.0007353900000000, 0.0006383400000000, -0.0029250100000000 ] - [ 0.0001232000000000, 0.0001126600000000, 0.0000148400000000 ] - [ 0.0000512300000000, -0.0000489800000000, -0.0001979700000000 ] - [ 0.0000672300000000, 0.0004299300000000, -0.0003275100000000 ] - [ -0.0000239500000000, -0.0000472400000000, -0.0006106600000000 ] - [ 0.0007143800000000, 0.0001577100000000, -0.0013374700000000 ] - [ -0.0000519000000000, 0.0001262600000000, 0.0004933600000000 ] - [ 0.0000937700000000, -0.0001328000000000, -0.0002454800000000 ] - [ -0.0004938800000000, -0.0005263000000000, -0.0021385400000000 ] - [ 0.0005035900000000, 0.0002086500000000, 0.0002867100000000 ] - [ 0.0000735800000000, 0.0002409800000000, 0.0002299800000000 ] - [ 0.0001730400000000, 0.0000537800000000, 0.0001287300000000 ] - [ 0.0003330200000000, 0.0006268200000000, 0.0004988100000000 ] - [ 0.0002657000000000, 0.0006713800000000, -0.0003181200000000 ] - [ -0.0001592500000000, -0.0000157100000000, -0.0006664600000000 ] - [ 0.0000993400000000, 0.0000464800000000, 0.0003031600000000 ] - [ -0.0001048700000000, -0.0002758900000000, 0.0007178700000000 ] - [ 0.0000180500000000, -0.0004208800000000, 0.0003676200000000 ] - [ -0.0003753600000000, -0.0001143400000000, 0.0009763300000000 ] - [ 0.0013522300000000, -0.0006364400000000, 0.0011225000000000 ] - [ 0.0000436500000000, -0.0022619800000000, 0.0017705100000000 ] - [ -0.0006179600000000, -0.0004065000000000, 0.0001658300000000 ] - [ 0.0000754200000000, -0.0005282100000000, 0.0001718200000000 ] - [ -0.0006533700000000, -0.0049935800000000, -0.0043333900000000 ] - [ -0.0015391600000000, 0.0007216700000000, -0.0036332300000000 ] - [ 0.0000581900000000, 0.0001393800000000, 0.0006080600000000 ] - [ 0.0001470800000000, -0.0001904200000000, 0.0001899800000000 ] - [ 0.0000525100000000, -0.0000162500000000, -0.0003189900000000 ] - [ -0.0000345200000000, -0.0000019500000000, 0.0001668700000000 ] - [ -0.0000639700000000, 0.0004229800000000, 0.0012939000000000 ] - [ -0.0000885600000000, -0.0006391100000000, 0.0030317000000000 ] - [ 0.0002087500000000, 0.0001407900000000, 0.0005429600000000 ] - [ -0.0000332500000000, 0.0005046000000000, -0.0008679200000000 ] - [ 0.0001506300000000, -0.0000566100000000, 0.0016050700000000 ] - [ -0.0003702500000000, 0.0002872400000000, 0.0001016800000000 ] - [ -0.0770291600000000, -0.0928667800000000, -0.1379290400000000 ] - [ -0.0082699200000000, 0.0102249100000000, -0.0036608000000000 ] - [ 0.0000754900000000, -0.0000356300000000, 0.0005302900000000 ] - [ -0.0003707100000000, -0.0006540600000000, -0.0015691200000000 ] - [ 0.0006796200000000, 0.0000648200000000, -0.0012061700000000 ] - [ 0.0001319200000000, -0.0000899100000000, 0.0003621300000000 ] - [ -0.0004739300000000, -0.0006585600000000, -0.0056176100000000 ] - [ -0.0000373600000000, 0.0001193100000000, 0.0003987300000000 ] - [ 0.0009607000000000, -0.0008571900000000, -0.0005721300000000 ] - [ 0.0003688800000000, -0.0004097000000000, 0.0038418600000000 ] - [ -0.0000481400000000, -0.0003987000000000, 0.0027001800000000 ] - [ 0.0007135700000000, 0.0004034300000000, -0.0023669300000000 ] - [ -0.0011912000000000, 0.0005375900000000, 0.0007298900000000 ] - [ -0.0001781600000000, 0.0001322300000000, -0.0004845600000000 ] - [ 0.0001111400000000, -0.0005825000000000, 0.0003645400000000 ] - [ 0.0010952800000000, 0.0007027200000000, 0.0002077100000000 ] - [ -0.0001693900000000, 0.0004618000000000, 0.0010892400000000 ] - [ -0.0009036300000000, 0.0007829400000000, -0.0003605400000000 ] - [ 0.0005618500000000, 0.0025960000000000, 0.0017776500000000 ] - [ 0.0007145800000000, -0.0000364800000000, -0.0008866300000000 ] - [ -0.0000076800000000, 0.0006792000000000, -0.0020440300000000 ] - [ -0.0015022800000000, -0.0006354300000000, 0.0004735300000000 ] - [ -0.0007027200000000, -0.0022964100000000, 0.0034433100000000 ] - [ 0.0973163100000000, 0.1228880500000000, 0.1646041300000000 ] - [ -0.0197731400000000, -0.0069960500000000, -0.0075867900000000 ] - [ -0.0002875400000000, -0.0002656300000000, -0.0005053100000000 ] - [ -0.0009699500000000, 0.0003772800000000, -0.0016567700000000 ] - [ -0.0013431700000000, -0.0005781700000000, -0.0034327800000000 ] - [ 0.0001279300000000, -0.0006460700000000, 0.0004977400000000 ] - [ -0.0002790400000000, -0.0002678300000000, -0.0000294700000000 ] - [ -0.0001682200000000, 0.0002043800000000, -0.0004389000000000 ] - [ 0.0003405700000000, -0.0003584300000000, -0.0004144500000000 ] - [ -0.0003477100000000, 0.0007084300000000, -0.0000253500000000 ] - [ -0.0002193200000000, 0.0000148900000000, -0.0005137200000000 ] - [ 0.0007926900000000, -0.0001855200000000, -0.0022760900000000 ] - [ -0.0003504300000000, -0.0003204500000000, -0.0005690600000000 ] - [ 0.0010658700000000, -0.0011677500000000, -0.0004675800000000 ] - [ -0.0002376600000000, -0.0002924900000000, 0.0006778900000000 ] - [ -0.0003720100000000, 0.0003206100000000, 0.0012132400000000 ] - [ -0.0001715300000000, 0.0000240100000000, 0.0000121100000000 ] - [ 0.0004351000000000, -0.0002951700000000, -0.0008539500000000 ] - [ 0.0001777600000000, 0.0002303100000000, 0.0015286300000000 ] - [ 0.0000442200000000, -0.0001024300000000, -0.0006279600000000 ] - [ 0.0003359700000000, -0.0003226900000000, 0.0004461200000000 ] - [ -0.0011490000000000, -0.0003010600000000, 0.0006250100000000 ] - [ 0.0001375700000000, -0.0001558600000000, -0.0005111100000000 ] - [ 0.0000198100000000, -0.0003581800000000, 0.0003638100000000 ] - [ 0.0001779800000000, -0.0002269300000000, -0.0005978800000000 ] - [ -0.0000827400000000, -0.0003564000000000, -0.0003750500000000 ] - [ -0.0010183500000000, -0.0007133200000000, -0.0005389200000000 ] - [ 0.0000150200000000, -0.0000699400000000, -0.0004272600000000 ] - [ -0.0001024600000000, -0.0002092500000000, -0.0003699800000000 ] - [ 0.0000962100000000, 0.0006164200000000, -0.0019608900000000 ] - [ 0.0000714000000000, -0.0001157100000000, 0.0008589800000000 ] - [ 0.0001749600000000, -0.0000462600000000, -0.0004383900000000 ] - [ -0.0000013200000000, -0.0000012300000000, 0.0002710400000000 ] - [ 0.0022336700000000, -0.0004368600000000, 0.0001078100000000 ] - [ 0.0006940300000000, -0.0000411100000000, 0.0006283200000000 ] - [ 0.0000400900000000, -0.0000098100000000, -0.0002589200000000 ] - [ -0.0000355700000000, 0.0001655400000000, -0.0001221700000000 ] - [ 0.0001648400000000, 0.0002013600000000, 0.0013969100000000 ] - [ 0.0001320100000000, -0.0003008800000000, -0.0002291800000000 ] - [ 0.0002055300000000, -0.0005402000000000, -0.0015953100000000 ] - [ 0.0017363000000000, 0.0016495800000000, 0.0082093700000000 ] - [ -0.0000141900000000, -0.0002435400000000, -0.0002173700000000 ] - [ -0.0003413700000000, 0.0000135500000000, 0.0006482800000000 ] - [ -0.0000057900000000, 0.0000184900000000, -0.0009079300000000 ] - [ 0.0000829300000000, -0.0000504500000000, 0.0004332800000000 ] - [ -0.0000812400000000, 0.0004894200000000, -0.0006479500000000 ] - [ 0.0000620600000000, 0.0002783700000000, -0.0005941800000000 ] - [ 0.0001256200000000, 0.0005136800000000, -0.0023035300000000 ] - [ -0.0000147100000000, -0.0000723300000000, 0.0007290700000000 ] - [ -0.0003107900000000, 0.0006148500000000, -0.0018705600000000 ] - [ -0.0006024500000000, 0.0005519800000000, 0.0009909900000000 ] - [ 0.0002167100000000, -0.0001158700000000, 0.0002155500000000 ] - [ -0.0000171500000000, 0.0001578700000000, -0.0003675800000000 ] - [ 0.0003367000000000, 0.0011331900000000, 0.0005060300000000 ] - [ 0.0056429100000000, -0.0234469600000000, -0.0118160200000000 ] - [ -0.0001254800000000, -0.0001393900000000, -0.0006417400000000 ] - [ 0.0021167900000000, -0.0030688800000000, -0.0012707900000000 ] - [ -0.0002383900000000, -0.0000234300000000, 0.0000253100000000 ] - [ 0.0025837400000000, -0.0010236100000000, 0.0019425200000000 ] - [ 0.0003656600000000, 0.0002489500000000, -0.0003995200000000 ] - [ -0.0012052800000000, 0.0005196600000000, -0.0003595400000000 ] - [ 0.0001949500000000, 0.0000685400000000, 0.0007206400000000 ] - [ -0.0000902100000000, -0.0001891600000000, -0.0006892000000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002677500000000, -0.0003302000000000, 0.0008222900000000 ] - [ -0.0026963400000000, 0.0000806800000000, 0.0000146200000000 ] - [ 0.0004118900000000, 0.0001616600000000, 0.0001251400000000 ] - [ 0.0001436900000000, 0.0002553200000000, -0.0001988500000000 ] - [ -0.0020684600000000, 0.0003516800000000, -0.0005083200000000 ] - [ -0.0011445200000000, -0.0009429200000000, -0.0003730100000000 ] - [ 0.0005096700000000, -0.0000425300000000, -0.0003766100000000 ] - [ 0.0006144300000000, 0.0001160900000000, 0.0001025700000000 ] - [ -0.0003103200000000, 0.0000812400000000, 0.0000399900000000 ] - [ -0.0002410100000000, 0.0001709500000000, -0.0000452800000000 ] - [ 0.0127961700000000, -0.0027433200000000, 0.0000847500000000 ] - [ -0.0013830600000000, -0.0002699700000000, -0.0018864000000000 ] - [ 0.0001298500000000, -0.0001539600000000, 0.0001905700000000 ] - [ -0.0001312500000000, -0.0000708200000000, 0.0000895700000000 ] - [ 0.0003014900000000, -0.0001036200000000, -0.0001255100000000 ] - [ -0.0001100600000000, 0.0000974600000000, -0.0000750900000000 ] - [ -0.0005911000000000, -0.0000636500000000, 0.0001007500000000 ] - [ -0.0008367300000000, -0.0000014300000000, 0.0001623800000000 ] - [ -0.0000141000000000, -0.0001407700000000, -0.0001667100000000 ] - [ -0.0004477300000000, -0.0001429400000000, -0.0000499600000000 ] - [ 0.0023331100000000, -0.0016296600000000, 0.0018629200000000 ] - [ -0.0004898100000000, -0.0002562800000000, 0.0002835200000000 ] - [ -0.0000496400000000, 0.0000679600000000, 0.0001213600000000 ] - [ 0.0012466400000000, 0.0020531600000000, -0.0003519800000000 ] - [ 0.0003772700000000, 0.0001731000000000, -0.0002163200000000 ] - [ 0.0001312000000000, 0.0001198700000000, -0.0001248400000000 ] - [ -0.0003539400000000, 0.0000595600000000, 0.0000183800000000 ] - [ 0.0030752500000000, -0.0003211000000000, -0.0001526400000000 ] - [ 0.0033112100000000, -0.0005157900000000, -0.0004439600000000 ] - [ 0.0027352700000000, -0.0000312900000000, 0.0001410500000000 ] - [ -0.0008472100000000, -0.0002430500000000, 0.0000484100000000 ] - [ 0.0001430700000000, 0.0004155500000000, 0.0004839500000000 ] - [ -0.0013284600000000, 0.0001989500000000, -0.0000409300000000 ] - [ 0.0002075200000000, -0.0007250500000000, -0.0002638500000000 ] - [ 0.0001058400000000, 0.0007956400000000, -0.0010252500000000 ] - [ 0.0015633100000000, -0.0004759100000000, -0.0003967400000000 ] - [ 0.0003325100000000, -0.0004827500000000, 0.0002569900000000 ] - [ -0.0000326100000000, 0.0006038300000000, 0.0002772000000000 ] - [ -0.0001244800000000, 0.0000814200000000, 0.0000453600000000 ] - [ 0.0000377500000000, -0.0001219300000000, -0.0001188400000000 ] - [ -0.0003906200000000, 0.0027981900000000, -0.0012395800000000 ] - [ -0.0086907400000000, -0.0086101500000000, 0.0091206800000000 ] - [ -0.0003659100000000, 0.0007507400000000, 0.0006278300000000 ] - [ 0.0002774200000000, 0.0001687900000000, -0.0001241000000000 ] - [ -0.0027814500000000, 0.0029544300000000, 0.0010406900000000 ] - [ -0.0008746000000000, 0.0001279000000000, 0.0001844300000000 ] - [ -0.0002797200000000, -0.0000645400000000, -0.0007610800000000 ] - [ 0.0009332100000000, -0.0002288000000000, -0.0002141000000000 ] - [ 0.0012539700000000, 0.0004504500000000, -0.0002238000000000 ] - [ 0.0004752900000000, -0.0001681400000000, -0.0003622400000000 ] - [ -0.0003831300000000, -0.0006987300000000, 0.0013500300000000 ] - [ 0.0008987500000000, -0.0013001600000000, 0.0000238100000000 ] - [ -0.0001901600000000, -0.0003603800000000, -0.0010191700000000 ] - [ 0.0009868700000000, 0.0002100100000000, -0.0000978900000000 ] - [ -0.0009520600000000, 0.0001083900000000, 0.0027835200000000 ] - [ 0.2390954500000000, -0.0550980900000000, 0.0964129600000000 ] - [ -0.0072637400000000, -0.0021464400000000, 0.0123019400000000 ] - [ 0.0007038300000000, -0.0002307400000000, 0.0002414200000000 ] - [ -0.0028045400000000, -0.0007015100000000, 0.0017082800000000 ] - [ -0.0004954500000000, -0.0002848300000000, 0.0002403500000000 ] - [ -0.0011590200000000, 0.0002209200000000, 0.0004715600000000 ] - [ -0.0014409300000000, 0.0002819800000000, -0.0002783500000000 ] - [ -0.0004980900000000, 0.0007873700000000, -0.0029089200000000 ] - [ -0.0008607400000000, 0.0002361400000000, -0.0001771800000000 ] - [ -0.0001827900000000, 0.0005451600000000, 0.0005545600000000 ] - [ -0.0006899300000000, 0.0001673400000000, 0.0011734800000000 ] - [ 0.0251119000000000, 0.0118353300000000, 0.0055954600000000 ] - [ -0.0013368200000000, 0.0002969500000000, -0.0007992700000000 ] - [ -0.0002555600000000, 0.0001151800000000, 0.0003975000000000 ] - [ -0.0001449700000000, -0.0000796700000000, 0.0006828100000000 ] - [ 0.0003627000000000, 0.0001513600000000, 0.0001375800000000 ] - [ 0.0010961700000000, -0.0007632500000000, 0.0006051600000000 ] - [ -0.3023503900000000, 0.0719584000000000, -0.1155741800000000 ] - [ 0.0007828900000000, -0.0058903700000000, 0.0109127200000000 ] - [ 0.0001146600000000, -0.0003066500000000, 0.0001814400000000 ] - [ 0.0005043000000000, -0.0000875900000000, -0.0000080100000000 ] - [ 0.0002023500000000, -0.0008592000000000, -0.0004487300000000 ] - [ 0.0005496500000000, -0.0002388800000000, -0.0003780300000000 ] - [ 0.0003343100000000, 0.0001625500000000, -0.0003575300000000 ] - [ -0.0007225000000000, -0.0001442700000000, -0.0002925100000000 ] - [ 0.0208552200000000, -0.0125649200000000, -0.0063224800000000 ] - [ 0.0008431300000000, -0.0004854500000000, 0.0009275700000000 ] - [ 0.0007257000000000, -0.0007916600000000, 0.0003617700000000 ] - [ -0.0001708100000000, 0.0002928300000000, -0.0000882000000000 ] - [ 0.0004866500000000, 0.0001727400000000, -0.0001566100000000 ] - [ -0.0005508200000000, -0.0001969400000000, 0.0002288300000000 ] - [ 0.0024477900000000, 0.0006997100000000, -0.0011121100000000 ] - [ -0.0004416600000000, -0.0000195500000000, -0.0001383000000000 ] - [ -0.0006974000000000, -0.0000509900000000, -0.0000085300000000 ] - [ 0.0006517400000000, 0.0002247000000000, -0.0006112000000000 ] - [ 0.0000049100000000, 0.0002685800000000, -0.0009803500000000 ] - [ -0.0004465300000000, -0.0002633400000000, -0.0000549700000000 ] - [ -0.0001207300000000, -0.0002647300000000, -0.0001487300000000 ] - [ 0.0006857100000000, -0.0010427600000000, 0.0016579100000000 ] - [ -0.0002798900000000, 0.0000352500000000, 0.0000566500000000 ] - [ 0.0009540600000000, 0.0000789700000000, -0.0000284800000000 ] - [ 0.0004675300000000, -0.0001812800000000, -0.0002989900000000 ] - [ -0.0008255800000000, -0.0012237400000000, 0.0001469300000000 ] - [ 0.0042751700000000, 0.0027242600000000, -0.0002185000000000 ] - [ 0.0003275100000000, 0.0003122300000000, 0.0001330700000000 ] - [ 0.0015675600000000, -0.0025163500000000, 0.0012680900000000 ] - [ 0.0003466700000000, 0.0000443700000000, -0.0001396100000000 ] - [ 0.0020500200000000, -0.0002236400000000, -0.0003087500000000 ] - [ 0.0005662800000000, 0.0002268800000000, 0.0003197700000000 ] - [ 0.0001789200000000, 0.0000535900000000, -0.0002678600000000 ] - [ 0.0007495900000000, 0.0000858100000000, 0.0002858300000000 ] - [ -0.0003355200000000, -0.0000960800000000, 0.0002434500000000 ] - [ 0.0001739400000000, 0.0008114700000000, 0.0003063700000000 ] - [ 0.0032467900000000, 0.0010300900000000, -0.0028093000000000 ] - [ 0.0002344100000000, 0.0003916100000000, 0.0003951700000000 ] - [ 0.0004153000000000, -0.0004158000000000, 0.0000654100000000 ] - [ -0.0003419100000000, 0.0004780700000000, -0.0005227100000000 ] - [ 0.0040709800000000, -0.0030218000000000, -0.0025864900000000 ] - [ 0.0001135600000000, 0.0001020900000000, 0.0001571900000000 ] - [ 0.0012306700000000, -0.0003870100000000, -0.0009088600000000 ] - [ -0.0007280200000000, 0.0013194600000000, -0.0001219700000000 ] - [ -0.0006136900000000, 0.0004031500000000, -0.0041001000000000 ] - [ 0.0002013300000000, 0.0000692300000000, 0.0002436600000000 ] - [ -0.0002682700000000, 0.0033223500000000, -0.0028744100000000 ] - [ 0.0006741700000000, -0.0002671700000000, -0.0007309500000000 ] - [ 0.0005785200000000, -0.0000373300000000, 0.0000742800000000 ] - [ 0.0003756600000000, -0.0000468500000000, -0.0005356100000000 ] - [ -0.0007030200000000, 0.0003625100000000, 0.0006872300000000 ] - [ -0.0003701500000000, 0.0002720800000000, 0.0003612800000000 ] - [ 0.0012032600000000, -0.0006456000000000, 0.0002147600000000 ] - [ -0.0003999200000000, 0.0001079900000000, 0.0003005500000000 ] - [ -0.0009917500000000, 0.0002858100000000, -0.0000527200000000 ] - [ -0.0007421200000000, 0.0000383300000000, -0.0000245300000000 ] - [ 0.0018268500000000, 0.0002857000000000, -0.0024799900000000 ] - [ -0.0002325200000000, -0.0017633300000000, -0.0024467700000000 ] - [ -0.0003353800000000, -0.0000939200000000, 0.0003238300000000 ] - [ 0.0014576600000000, -0.0000399800000000, 0.0025043500000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002855400000000, 0.0003783500000000, -0.0007044000000000 ] - [ 0.0025600100000000, 0.0000130500000000, 0.0001524900000000 ] - [ -0.0004460700000000, 0.0000525400000000, -0.0001126500000000 ] - [ -0.0003389200000000, -0.0000381700000000, 0.0001723200000000 ] - [ 0.0018784800000000, -0.0005654900000000, 0.0005299100000000 ] - [ 0.0011801900000000, 0.0011651700000000, 0.0003656500000000 ] - [ -0.0007866100000000, -0.0001209100000000, 0.0000706100000000 ] - [ -0.0004636000000000, -0.0002100500000000, -0.0002655400000000 ] - [ 0.0001191400000000, 0.0001353400000000, -0.0000121200000000 ] - [ 0.0002295600000000, -0.0002188200000000, -0.0000719100000000 ] - [ -0.0135038700000000, 0.0029257600000000, -0.0002083900000000 ] - [ 0.0014015600000000, 0.0002258700000000, 0.0019953800000000 ] - [ -0.0001451600000000, 0.0001052600000000, -0.0000743800000000 ] - [ 0.0002792500000000, -0.0000225900000000, 0.0000735100000000 ] - [ -0.0000243800000000, -0.0000602100000000, -0.0001794300000000 ] - [ 0.0000980700000000, -0.0000493600000000, -0.0000402700000000 ] - [ 0.0004441500000000, -0.0000300100000000, 0.0000614900000000 ] - [ 0.0008062000000000, 0.0002116200000000, -0.0001715300000000 ] - [ 0.0002049200000000, 0.0003589200000000, 0.0001945300000000 ] - [ 0.0004162400000000, -0.0000692600000000, 0.0000393600000000 ] - [ -0.0025705900000000, 0.0013754800000000, -0.0018595400000000 ] - [ 0.0007656200000000, 0.0004228300000000, 0.0000206800000000 ] - [ 0.0003260600000000, -0.0002329100000000, 0.0001846200000000 ] - [ -0.0009628100000000, -0.0018979200000000, 0.0000437900000000 ] - [ -0.0002285900000000, -0.0000801500000000, 0.0000539600000000 ] - [ -0.0001196300000000, -0.0000715800000000, 0.0000095800000000 ] - [ 0.0005013000000000, 0.0000339500000000, 0.0001443200000000 ] - [ -0.0031107600000000, 0.0001012900000000, 0.0001514900000000 ] - [ -0.0035890400000000, 0.0006976300000000, 0.0001425400000000 ] - [ -0.0028868500000000, -0.0000522600000000, -0.0003194100000000 ] - [ 0.0005727300000000, 0.0000799500000000, 0.0002597000000000 ] - [ 0.0000521900000000, -0.0001983900000000, -0.0005094800000000 ] - [ 0.0010540000000000, -0.0000382700000000, 0.0003427700000000 ] - [ -0.0000104300000000, 0.0005062200000000, 0.0002359700000000 ] - [ -0.0000700400000000, -0.0005870500000000, 0.0010432000000000 ] - [ -0.0017116300000000, 0.0005762500000000, 0.0002488700000000 ] - [ -0.0002971300000000, 0.0002707000000000, -0.0002470000000000 ] - [ 0.0002220800000000, -0.0008249600000000, -0.0002530500000000 ] - [ 0.0001574100000000, -0.0002954400000000, -0.0000554200000000 ] - [ -0.0000529800000000, 0.0001690800000000, 0.0002342800000000 ] - [ 0.0002835900000000, -0.0023801300000000, 0.0018910000000000 ] - [ 0.0085705100000000, 0.0080919900000000, -0.0094635700000000 ] - [ 0.0004690700000000, -0.0002678700000000, -0.0002263000000000 ] - [ -0.0001806000000000, 0.0003115100000000, -0.0002732700000000 ] - [ 0.0028767500000000, -0.0025110200000000, -0.0004022700000000 ] - [ 0.0005669100000000, -0.0000671500000000, 0.0000920700000000 ] - [ 0.0001848300000000, 0.0005477100000000, 0.0003643600000000 ] - [ -0.0006226900000000, 0.0001643000000000, -0.0000691400000000 ] - [ -0.0011648800000000, -0.0008905600000000, -0.0004177500000000 ] - [ -0.0007861600000000, 0.0001027300000000, 0.0000807500000000 ] - [ 0.0002776400000000, 0.0002667300000000, -0.0007174000000000 ] - [ -0.0008059900000000, 0.0008141300000000, -0.0004196100000000 ] - [ 0.0000958200000000, 0.0007953000000000, 0.0003843100000000 ] - [ -0.0012945200000000, -0.0001429500000000, -0.0001861700000000 ] - [ 0.0008330900000000, -0.0006006300000000, -0.0023968800000000 ] - [ -0.2266245000000000, 0.0511320700000000, -0.0897801500000000 ] - [ 0.0071607000000000, 0.0016938600000000, -0.0128793200000000 ] - [ -0.0006120400000000, 0.0006658300000000, -0.0008736200000000 ] - [ 0.0031205900000000, 0.0007721100000000, -0.0014456300000000 ] - [ 0.0005967200000000, -0.0001503200000000, 0.0003950100000000 ] - [ 0.0008498600000000, -0.0002815500000000, -0.0001898500000000 ] - [ 0.0017530500000000, -0.0003458900000000, 0.0005619900000000 ] - [ 0.0003905100000000, -0.0003085500000000, 0.0033337700000000 ] - [ 0.0009660600000000, -0.0007190100000000, 0.0005767700000000 ] - [ 0.0003865600000000, -0.0007128800000000, -0.0008643300000000 ] - [ 0.0004071400000000, 0.0001048200000000, -0.0013974600000000 ] - [ -0.0246413700000000, -0.0115726600000000, -0.0047915300000000 ] - [ 0.0011350200000000, -0.0004629500000000, 0.0004869700000000 ] - [ 0.0002949300000000, -0.0001588300000000, -0.0003135000000000 ] - [ -0.0000163700000000, -0.0004555800000000, -0.0009517400000000 ] - [ -0.0006625900000000, 0.0001239600000000, 0.0000785500000000 ] - [ -0.0009808500000000, 0.0006827500000000, -0.0012442700000000 ] - [ 0.2901337600000000, -0.0681122300000000, 0.1082851500000000 ] - [ -0.0008090500000000, 0.0056819400000000, -0.0104359200000000 ] - [ -0.0002970800000000, 0.0000836800000000, -0.0001925900000000 ] - [ -0.0003960900000000, 0.0003082000000000, -0.0004794100000000 ] - [ -0.0003845300000000, 0.0010796700000000, 0.0004362400000000 ] - [ -0.0006669700000000, 0.0003236900000000, -0.0002544400000000 ] - [ -0.0004427600000000, 0.0000561800000000, -0.0001291700000000 ] - [ 0.0006861200000000, 0.0001848300000000, 0.0003796700000000 ] - [ -0.0205463100000000, 0.0123506800000000, 0.0063620500000000 ] - [ -0.0008035900000000, 0.0004440900000000, -0.0010167400000000 ] - [ -0.0004340400000000, 0.0005187800000000, -0.0005799500000000 ] - [ -0.0000068400000000, -0.0000675000000000, 0.0000981500000000 ] - [ -0.0002762500000000, -0.0000063400000000, 0.0004638800000000 ] - [ 0.0004417000000000, -0.0000315600000000, 0.0002587000000000 ] - [ -0.0023483800000000, -0.0009293900000000, 0.0006332700000000 ] - [ 0.0004033700000000, -0.0000223000000000, 0.0002209000000000 ] - [ 0.0004914900000000, 0.0002194300000000, -0.0002985600000000 ] - [ -0.0006064000000000, -0.0001844200000000, 0.0005360100000000 ] - [ 0.0001834600000000, -0.0004935700000000, 0.0009723300000000 ] - [ 0.0007491500000000, 0.0002183700000000, -0.0001248900000000 ] - [ 0.0002798200000000, -0.0002695600000000, -0.0001189900000000 ] - [ -0.0004989400000000, 0.0012727600000000, -0.0016803500000000 ] - [ 0.0001041400000000, -0.0002554300000000, -0.0000449200000000 ] - [ -0.0012609300000000, -0.0000322100000000, 0.0002065200000000 ] - [ -0.0005760700000000, -0.0000354600000000, -0.0001846700000000 ] - [ 0.0008365600000000, 0.0012338200000000, -0.0001475600000000 ] - [ -0.0045548600000000, -0.0029838900000000, 0.0004331900000000 ] - [ -0.0003293600000000, -0.0003129100000000, -0.0001328800000000 ] - [ -0.0013652500000000, 0.0023723100000000, -0.0009689100000000 ] - [ -0.0003885800000000, 0.0000029200000000, 0.0000596000000000 ] - [ -0.0023587500000000, 0.0001778000000000, 0.0004948900000000 ] - [ -0.0004112200000000, 0.0003056300000000, -0.0000545100000000 ] - [ 0.0001154800000000, 0.0002215000000000, 0.0000484900000000 ] - [ -0.0004439900000000, -0.0000415800000000, -0.0001060300000000 ] - [ 0.0006395300000000, 0.0001434900000000, -0.0004254700000000 ] - [ 0.0001264400000000, -0.0010869000000000, -0.0000873700000000 ] - [ -0.0030627600000000, -0.0012513400000000, 0.0028068600000000 ] - [ -0.0000552900000000, -0.0001677200000000, -0.0003841000000000 ] - [ -0.0002600600000000, -0.0001151800000000, 0.0001985100000000 ] - [ 0.0003466500000000, -0.0004809200000000, 0.0005226200000000 ] - [ -0.0040574500000000, 0.0030147200000000, 0.0025708400000000 ] - [ 0.0001873900000000, 0.0001755900000000, 0.0000583100000000 ] - [ -0.0012697100000000, 0.0003387400000000, 0.0008239900000000 ] - [ 0.0008905100000000, -0.0007783000000000, -0.0001435800000000 ] - [ 0.0008036000000000, -0.0002294700000000, 0.0037825200000000 ] - [ -0.0004107000000000, 0.0000979600000000, 0.0000634600000000 ] - [ 0.0000946000000000, -0.0027798700000000, 0.0025962900000000 ] - [ -0.0008260900000000, 0.0008020500000000, 0.0009978600000000 ] - [ -0.0002748400000000, -0.0000077100000000, 0.0001071500000000 ] - [ -0.0004917200000000, -0.0000370400000000, -0.0000992000000000 ] - [ 0.0005928900000000, -0.0001387100000000, -0.0001945500000000 ] - [ 0.0004835800000000, -0.0003546900000000, 0.0002718100000000 ] - [ -0.0014114400000000, 0.0004757200000000, 0.0000941100000000 ] - [ 0.0005058800000000, 0.0001096900000000, 0.0001926500000000 ] - [ 0.0008788000000000, -0.0002025500000000, 0.0006860600000000 ] - [ 0.0004394100000000, 0.0000066600000000, -0.0001573200000000 ] - [ -0.0017119300000000, -0.0001999800000000, 0.0018684200000000 ] - [ -0.0000419700000000, 0.0014905400000000, 0.0022300900000000 ] - [ 0.0002216200000000, 0.0000128200000000, 0.0003102700000000 ] - [ -0.0016181400000000, -0.0004982400000000, -0.0022570900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002328900000000, 0.0003738200000000, 0.0003635900000000 ] - [ 0.0002719800000000, 0.0004038000000000, 0.0002135500000000 ] - [ 0.0000064500000000, -0.0002084500000000, -0.0006138500000000 ] - [ 0.0000135700000000, -0.0001790900000000, 0.0002050100000000 ] - [ 0.0007876700000000, 0.0001682600000000, 0.0002053300000000 ] - [ -0.0004173600000000, 0.0003593000000000, -0.0001406200000000 ] - [ -0.0001719500000000, 0.0004939300000000, -0.0002022200000000 ] - [ 0.0002960600000000, -0.0007426900000000, -0.0002876100000000 ] - [ -0.0001255700000000, -0.0000117000000000, 0.0000656200000000 ] - [ 0.0000357600000000, -0.0004445000000000, -0.0000821100000000 ] - [ -0.0032905400000000, 0.0024223300000000, -0.0000703700000000 ] - [ 0.0001944200000000, 0.0008582000000000, -0.0003935000000000 ] - [ -0.0000523100000000, -0.0005682900000000, 0.0001054500000000 ] - [ 0.0000474800000000, -0.0001698200000000, 0.0000893000000000 ] - [ 0.0001506600000000, -0.0004569400000000, -0.0001102900000000 ] - [ 0.0000938800000000, -0.0001314500000000, -0.0000289200000000 ] - [ 0.0000084400000000, 0.0000760200000000, 0.0000424100000000 ] - [ -0.0000953300000000, -0.0001791200000000, 0.0001085400000000 ] - [ -0.0000655700000000, 0.0002577000000000, -0.0000299200000000 ] - [ 0.0000610000000000, 0.0000473700000000, 0.0000407800000000 ] - [ -0.0019164100000000, 0.0000550800000000, 0.0014945000000000 ] - [ -0.0001286800000000, -0.0000542900000000, 0.0002669100000000 ] - [ 0.0001527100000000, -0.0003450700000000, 0.0001835800000000 ] - [ 0.0008853000000000, -0.0024675100000000, 0.0004162500000000 ] - [ 0.0000597500000000, -0.0004881800000000, -0.0001229200000000 ] - [ 0.0000267800000000, 0.0001763900000000, -0.0000693600000000 ] - [ 0.0000002100000000, -0.0002716200000000, 0.0000723600000000 ] - [ -0.0001740600000000, 0.0020499200000000, -0.0007138200000000 ] - [ 0.0003985600000000, -0.0023221200000000, -0.0013158800000000 ] - [ -0.0004473700000000, 0.0004519900000000, 0.0022154900000000 ] - [ -0.0000301400000000, 0.0001923300000000, 0.0001805800000000 ] - [ 0.0002798800000000, 0.0001742600000000, -0.0002401200000000 ] - [ -0.0001250300000000, 0.0000282300000000, -0.0000515000000000 ] - [ -0.0003946700000000, -0.0006889700000000, -0.0002924900000000 ] - [ 0.0003156200000000, -0.0002340600000000, 0.0008836500000000 ] - [ -0.0005602100000000, 0.0013097200000000, -0.0005076400000000 ] - [ -0.0001284400000000, -0.0008292100000000, 0.0003188400000000 ] - [ 0.0005724100000000, -0.0008027500000000, -0.0000941700000000 ] - [ 0.0000600500000000, -0.0003303700000000, -0.0000787200000000 ] - [ -0.0001631400000000, -0.0003632400000000, -0.0001704000000000 ] - [ 0.0007390500000000, -0.0008854700000000, 0.0009212300000000 ] - [ -0.0051879400000000, 0.0000186700000000, 0.0040884000000000 ] - [ 0.0001748300000000, -0.0005144400000000, 0.0000856000000000 ] - [ -0.0000386900000000, -0.0005274100000000, -0.0002449700000000 ] - [ 0.0010882300000000, -0.0010337900000000, -0.0000684200000000 ] - [ -0.0000464300000000, -0.0006246200000000, -0.0000305500000000 ] - [ 0.0000427900000000, 0.0010637800000000, 0.0000661400000000 ] - [ -0.0000466400000000, 0.0005217400000000, 0.0005579600000000 ] - [ 0.0006152300000000, -0.0022350400000000, 0.0002762100000000 ] - [ -0.0003432600000000, -0.0005914100000000, -0.0005081100000000 ] - [ -0.0004201500000000, 0.0011021100000000, 0.0004748300000000 ] - [ -0.0005195800000000, -0.0030049000000000, 0.0006005500000000 ] - [ -0.0005864200000000, 0.0002102000000000, -0.0007652700000000 ] - [ -0.0001833900000000, -0.0027009000000000, 0.0004052500000000 ] - [ 0.0014634900000000, 0.0015195400000000, -0.0015287600000000 ] - [ -0.0518806800000000, 0.0578618500000000, -0.0278027900000000 ] - [ 0.0047776500000000, 0.0053952000000000, -0.0072421000000000 ] - [ -0.0007310400000000, 0.0000861600000000, 0.0007831800000000 ] - [ 0.0004894000000000, 0.0013917300000000, -0.0002492400000000 ] - [ 0.0000553700000000, -0.0008330500000000, 0.0002746500000000 ] - [ -0.0001122700000000, -0.0002661500000000, -0.0001491100000000 ] - [ 0.0004255900000000, 0.0000684300000000, 0.0005497600000000 ] - [ 0.0003524200000000, 0.0018028500000000, 0.0013459000000000 ] - [ 0.0005945200000000, -0.0010306000000000, 0.0005113100000000 ] - [ 0.0005368200000000, -0.0001820700000000, 0.0005727700000000 ] - [ 0.0001047200000000, -0.0010413900000000, -0.0003954000000000 ] - [ 0.0167679700000000, -0.0018222700000000, 0.0036922400000000 ] - [ 0.0000310500000000, 0.0006994300000000, -0.0012234400000000 ] - [ 0.0001809900000000, 0.0000139100000000, 0.0000113500000000 ] - [ -0.0003029500000000, -0.0009461300000000, -0.0005345700000000 ] - [ -0.0002290500000000, -0.0001974600000000, 0.0000446600000000 ] - [ -0.0001330400000000, -0.0002931700000000, -0.0006322800000000 ] - [ 0.0698745100000000, -0.0587155400000000, 0.0288535000000000 ] - [ -0.0102125000000000, -0.0042991300000000, -0.0119353800000000 ] - [ -0.0001954600000000, 0.0004529600000000, -0.0001811100000000 ] - [ -0.0000057800000000, 0.0002017800000000, -0.0004096800000000 ] - [ -0.0002680700000000, 0.0007866600000000, 0.0002666700000000 ] - [ -0.0003886400000000, 0.0005777900000000, -0.0002476500000000 ] - [ -0.0000690100000000, 0.0000735500000000, -0.0001419600000000 ] - [ -0.0002447200000000, 0.0018197600000000, -0.0004420500000000 ] - [ -0.0193535400000000, 0.0002398100000000, 0.0056156300000000 ] - [ -0.0003665700000000, 0.0001925600000000, -0.0005578500000000 ] - [ -0.0005026100000000, 0.0005247500000000, -0.0004975500000000 ] - [ 0.0001792800000000, 0.0006126600000000, -0.0003187100000000 ] - [ 0.0001561500000000, -0.0003112400000000, 0.0001055500000000 ] - [ 0.0000494100000000, 0.0020736700000000, 0.0004304100000000 ] - [ -0.0002036900000000, -0.0010003100000000, -0.0000743000000000 ] - [ 0.0001010600000000, -0.0000334300000000, -0.0001780700000000 ] - [ -0.0001625500000000, 0.0008552600000000, -0.0004285000000000 ] - [ 0.0004417300000000, -0.0006613700000000, -0.0000142600000000 ] - [ 0.0001094800000000, -0.0014701700000000, 0.0005335400000000 ] - [ 0.0003952000000000, 0.0011389900000000, -0.0002670900000000 ] - [ 0.0000095800000000, 0.0002730000000000, -0.0000007200000000 ] - [ -0.0010729500000000, -0.0000667500000000, -0.0010676900000000 ] - [ -0.0001476800000000, 0.0016337200000000, 0.0002811800000000 ] - [ -0.0002082500000000, -0.0000653400000000, -0.0000792100000000 ] - [ -0.0001275300000000, 0.0003454300000000, -0.0000999500000000 ] - [ 0.0000278800000000, 0.0009494200000000, -0.0002186900000000 ] - [ 0.0016845800000000, 0.0003746300000000, 0.0000419800000000 ] - [ 0.0002941500000000, 0.0003434900000000, 0.0000950600000000 ] - [ -0.0003702000000000, 0.0003840200000000, -0.0000950900000000 ] - [ 0.0000053400000000, 0.0003379800000000, 0.0000338600000000 ] - [ -0.0003546600000000, -0.0005018600000000, 0.0001754600000000 ] - [ -0.0001266800000000, 0.0004322500000000, -0.0000106600000000 ] - [ 0.0001966400000000, 0.0005491200000000, -0.0000900200000000 ] - [ 0.0002143400000000, 0.0001503700000000, 0.0002019500000000 ] - [ 0.0000334900000000, 0.0004198400000000, -0.0000827500000000 ] - [ 0.0006795600000000, 0.0008731200000000, 0.0001248700000000 ] - [ -0.0005178400000000, -0.0041457900000000, -0.0011782600000000 ] - [ 0.0002025600000000, -0.0002810300000000, 0.0002005800000000 ] - [ 0.0000124300000000, 0.0002214800000000, 0.0000399200000000 ] - [ 0.0005840900000000, -0.0005542700000000, -0.0004514200000000 ] - [ -0.0021542300000000, 0.0009018400000000, 0.0015999900000000 ] - [ 0.0002614500000000, 0.0004949800000000, 0.0000802800000000 ] - [ -0.0004536400000000, 0.0001436000000000, 0.0004070500000000 ] - [ 0.0008504200000000, 0.0027106700000000, 0.0000423700000000 ] - [ -0.0003342100000000, -0.0018858100000000, 0.0014712000000000 ] - [ -0.0001221700000000, 0.0003377000000000, 0.0001749800000000 ] - [ 0.0021403600000000, 0.0006324600000000, -0.0011722700000000 ] - [ -0.0007346600000000, 0.0001981800000000, 0.0008688600000000 ] - [ 0.0001649100000000, 0.0003591600000000, 0.0001534000000000 ] - [ -0.0000296700000000, 0.0002384100000000, -0.0002798000000000 ] - [ -0.0002862000000000, 0.0005762200000000, 0.0010604600000000 ] - [ 0.0002918700000000, -0.0005740200000000, 0.0000263500000000 ] - [ -0.0003912100000000, 0.0002595200000000, 0.0001565100000000 ] - [ 0.0003127500000000, 0.0005259100000000, -0.0006422300000000 ] - [ -0.0006260600000000, 0.0018662600000000, -0.0001090800000000 ] - [ -0.0001667700000000, -0.0002570100000000, -0.0002721200000000 ] - [ -0.0008438400000000, -0.0009311500000000, 0.0002494500000000 ] - [ -0.0021233100000000, -0.0001836200000000, 0.0023053900000000 ] - [ 0.0001766500000000, 0.0004875700000000, 0.0004836700000000 ] - [ -0.0001625800000000, -0.0012673000000000, -0.0002782900000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002456400000000, -0.0003241600000000, -0.0002490400000000 ] - [ -0.0004165600000000, -0.0003103300000000, -0.0000516700000000 ] - [ -0.0000394700000000, 0.0004211900000000, 0.0006194900000000 ] - [ -0.0002060600000000, 0.0003956700000000, -0.0002310500000000 ] - [ -0.0009738400000000, -0.0003877800000000, -0.0001783200000000 ] - [ 0.0004536700000000, -0.0001468500000000, 0.0001306200000000 ] - [ -0.0001065900000000, -0.0006581300000000, -0.0001010700000000 ] - [ -0.0001510600000000, 0.0006481400000000, 0.0001255700000000 ] - [ -0.0000672300000000, 0.0002285700000000, -0.0000384300000000 ] - [ -0.0000499700000000, 0.0003944300000000, -0.0000343300000000 ] - [ 0.0032657900000000, -0.0024853100000000, -0.0000464500000000 ] - [ -0.0001747300000000, -0.0009028200000000, 0.0005182200000000 ] - [ 0.0000396200000000, 0.0005190700000000, 0.0000090100000000 ] - [ 0.0001014000000000, 0.0000755200000000, 0.0000737400000000 ] - [ 0.0001249400000000, 0.0002924100000000, -0.0001947200000000 ] - [ -0.0001072600000000, 0.0001786900000000, -0.0000868900000000 ] - [ -0.0001552700000000, -0.0001694400000000, 0.0001210100000000 ] - [ 0.0000630800000000, 0.0003932600000000, -0.0001196400000000 ] - [ 0.0002592300000000, -0.0000406600000000, 0.0000579300000000 ] - [ -0.0000927500000000, -0.0002612200000000, -0.0000503200000000 ] - [ 0.0016914400000000, -0.0003162800000000, -0.0014919000000000 ] - [ 0.0004075100000000, 0.0002175000000000, 0.0000378900000000 ] - [ 0.0001247400000000, 0.0001805300000000, 0.0001216500000000 ] - [ -0.0006221900000000, 0.0026314800000000, -0.0007292700000000 ] - [ 0.0000867500000000, 0.0005792600000000, -0.0000409100000000 ] - [ -0.0000131900000000, -0.0001282600000000, -0.0000464200000000 ] - [ 0.0001497900000000, 0.0003645600000000, 0.0000908700000000 ] - [ 0.0001249200000000, -0.0023113800000000, 0.0006520700000000 ] - [ -0.0006559500000000, 0.0026151200000000, 0.0010504700000000 ] - [ 0.0002981900000000, -0.0005256400000000, -0.0023990600000000 ] - [ -0.0002449900000000, -0.0003563700000000, 0.0001245000000000 ] - [ -0.0000877700000000, 0.0000409400000000, 0.0002118000000000 ] - [ -0.0001485700000000, 0.0001368600000000, 0.0003579200000000 ] - [ 0.0005816700000000, 0.0004729700000000, 0.0002645800000000 ] - [ -0.0002819900000000, 0.0004419800000000, -0.0008655100000000 ] - [ 0.0004079200000000, -0.0012082000000000, 0.0003516900000000 ] - [ 0.0001589600000000, 0.0006155700000000, -0.0003071400000000 ] - [ -0.0003752000000000, 0.0005844000000000, 0.0001206700000000 ] - [ -0.0000261400000000, 0.0001165700000000, 0.0000684000000000 ] - [ 0.0001507200000000, 0.0004113600000000, 0.0002883200000000 ] - [ -0.0008284100000000, 0.0013206600000000, -0.0002851200000000 ] - [ 0.0051206400000000, -0.0004581100000000, -0.0045425000000000 ] - [ -0.0000740500000000, 0.0009928800000000, 0.0003117300000000 ] - [ 0.0001382700000000, 0.0010073000000000, -0.0001527400000000 ] - [ -0.0009839400000000, 0.0014591900000000, 0.0007011800000000 ] - [ -0.0002596000000000, 0.0006870600000000, 0.0003093600000000 ] - [ -0.0001433300000000, -0.0005790800000000, -0.0004615300000000 ] - [ 0.0003526400000000, -0.0005839800000000, -0.0008354200000000 ] - [ -0.0005135900000000, 0.0017983800000000, -0.0009055500000000 ] - [ 0.0000317800000000, 0.0005267500000000, 0.0002320400000000 ] - [ 0.0003233900000000, -0.0015378000000000, 0.0001615300000000 ] - [ 0.0006258800000000, 0.0025278700000000, -0.0010043000000000 ] - [ 0.0004865300000000, 0.0002261200000000, 0.0001296700000000 ] - [ -0.0001310700000000, 0.0027534100000000, -0.0006802900000000 ] - [ -0.0015589500000000, -0.0019958600000000, 0.0019261000000000 ] - [ 0.0520283600000000, -0.0570353300000000, 0.0274438300000000 ] - [ -0.0048441400000000, -0.0058277400000000, 0.0065746500000000 ] - [ 0.0008249900000000, 0.0003471800000000, -0.0014179200000000 ] - [ -0.0001749400000000, -0.0013291200000000, 0.0005291200000000 ] - [ 0.0000430600000000, 0.0003977400000000, 0.0003620400000000 ] - [ -0.0001934100000000, 0.0002005400000000, 0.0004268000000000 ] - [ -0.0001132800000000, -0.0001315800000000, -0.0002712300000000 ] - [ -0.0004480400000000, -0.0013188000000000, -0.0009470400000000 ] - [ -0.0004911900000000, 0.0005458900000000, -0.0001112700000000 ] - [ -0.0003263400000000, 0.0000102200000000, -0.0008820800000000 ] - [ -0.0004026700000000, 0.0013169500000000, 0.0001759300000000 ] - [ -0.0166669600000000, 0.0018333300000000, -0.0030431100000000 ] - [ -0.0002320300000000, -0.0008656500000000, 0.0009122100000000 ] - [ -0.0001387700000000, -0.0000575400000000, 0.0000697800000000 ] - [ 0.0001459500000000, 0.0004115000000000, 0.0002648600000000 ] - [ -0.0000682800000000, 0.0004715100000000, 0.0001730600000000 ] - [ 0.0002468700000000, 0.0002118900000000, -0.0000008300000000 ] - [ -0.0700945900000000, 0.0578089400000000, -0.0289408400000000 ] - [ 0.0103272300000000, 0.0041773700000000, 0.0124703900000000 ] - [ 0.0000148900000000, -0.0006765900000000, 0.0001701900000000 ] - [ 0.0001134700000000, 0.0000164000000000, -0.0000743300000000 ] - [ 0.0000877200000000, -0.0005587800000000, -0.0002752700000000 ] - [ 0.0002706800000000, -0.0004949100000000, -0.0003842800000000 ] - [ -0.0000411500000000, 0.0001456300000000, -0.0003428400000000 ] - [ 0.0002024700000000, -0.0017690900000000, 0.0005188100000000 ] - [ 0.0195100400000000, -0.0001541000000000, -0.0055566700000000 ] - [ 0.0004045800000000, -0.0002363300000000, 0.0004744100000000 ] - [ 0.0007976900000000, -0.0007961100000000, 0.0002785700000000 ] - [ -0.0003585500000000, -0.0003868400000000, 0.0003286900000000 ] - [ 0.0000508800000000, 0.0004780200000000, 0.0002019100000000 ] - [ -0.0001553800000000, -0.0022805800000000, 0.0000624200000000 ] - [ 0.0003085600000000, 0.0007792800000000, -0.0004138900000000 ] - [ -0.0001405900000000, -0.0000076600000000, 0.0002590800000000 ] - [ -0.0000446000000000, -0.0006876700000000, 0.0001166400000000 ] - [ -0.0004039700000000, 0.0007054600000000, -0.0000678900000000 ] - [ 0.0000715300000000, 0.0012430700000000, -0.0005427500000000 ] - [ -0.0000856900000000, -0.0011808500000000, 0.0000837400000000 ] - [ 0.0001483300000000, -0.0008067000000000, -0.0002657100000000 ] - [ 0.0012498700000000, 0.0002892600000000, 0.0010556300000000 ] - [ -0.0000344500000000, -0.0018595700000000, -0.0002718900000000 ] - [ -0.0000976800000000, 0.0001098000000000, 0.0002609600000000 ] - [ 0.0000172100000000, -0.0005656700000000, -0.0003856400000000 ] - [ -0.0000317800000000, -0.0009507900000000, 0.0002164300000000 ] - [ -0.0019959400000000, -0.0006630700000000, 0.0001814500000000 ] - [ -0.0002937800000000, -0.0003439100000000, -0.0000948800000000 ] - [ 0.0005730900000000, -0.0005547000000000, 0.0004071600000000 ] - [ -0.0000469000000000, -0.0002938500000000, -0.0001150800000000 ] - [ 0.0000462200000000, 0.0004563800000000, 0.0000049500000000 ] - [ 0.0002822600000000, 0.0001007200000000, 0.0002753400000000 ] - [ 0.0001008600000000, -0.0002730400000000, -0.0001282600000000 ] - [ 0.0000862500000000, -0.0001043800000000, -0.0000212000000000 ] - [ 0.0002725900000000, -0.0003735200000000, -0.0001008700000000 ] - [ -0.0003891600000000, -0.0011491200000000, 0.0000961000000000 ] - [ 0.0006914600000000, 0.0039228700000000, 0.0011974000000000 ] - [ -0.0000206800000000, 0.0005026700000000, -0.0001909400000000 ] - [ 0.0001436400000000, -0.0007532900000000, 0.0002251000000000 ] - [ -0.0005840500000000, 0.0005540400000000, 0.0004530400000000 ] - [ 0.0021461000000000, -0.0008966400000000, -0.0015962800000000 ] - [ 0.0000367700000000, -0.0002181600000000, 0.0001354400000000 ] - [ 0.0004093300000000, -0.0001870100000000, -0.0004856900000000 ] - [ -0.0006960000000000, -0.0021888800000000, -0.0003108400000000 ] - [ 0.0005407100000000, 0.0020530000000000, -0.0017673200000000 ] - [ -0.0000865300000000, -0.0001709300000000, 0.0001330900000000 ] - [ -0.0022856800000000, -0.0001145500000000, 0.0009171400000000 ] - [ 0.0005752300000000, 0.0003323800000000, -0.0006027700000000 ] - [ 0.0001350200000000, -0.0004053100000000, 0.0000271400000000 ] - [ -0.0000872300000000, -0.0003194400000000, -0.0003516200000000 ] - [ 0.0001808300000000, -0.0003568700000000, -0.0005752100000000 ] - [ -0.0001734000000000, 0.0004895300000000, 0.0006037000000000 ] - [ 0.0001808400000000, -0.0004244500000000, 0.0001537000000000 ] - [ -0.0002024300000000, -0.0003048500000000, 0.0011287200000000 ] - [ 0.0005100900000000, -0.0017820400000000, 0.0007418400000000 ] - [ -0.0001356200000000, 0.0003007900000000, 0.0000898800000000 ] - [ 0.0009561400000000, 0.0010099900000000, -0.0008823900000000 ] - [ 0.0018187600000000, -0.0000979400000000, -0.0025153300000000 ] - [ -0.0002920700000000, -0.0005686400000000, 0.0001475400000000 ] - [ 0.0000019600000000, 0.0007322400000000, 0.0005468500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006341300000000, 0.0002712100000000, -0.0002410000000000 ] - [ -0.0003579500000000, 0.0000807400000000, 0.0004451400000000 ] - [ 0.0000007800000000, -0.0002324100000000, -0.0003200800000000 ] - [ -0.0002474000000000, 0.0004184300000000, -0.0003807800000000 ] - [ -0.0007476600000000, 0.0001186900000000, 0.0008321500000000 ] - [ -0.0004627200000000, -0.0002558900000000, 0.0004478500000000 ] - [ 0.0001881100000000, -0.0000715500000000, -0.0014878500000000 ] - [ 0.0003571900000000, -0.0005598900000000, 0.0000264500000000 ] - [ -0.0000696000000000, 0.0001686100000000, -0.0002253900000000 ] - [ -0.0000898300000000, 0.0000021800000000, 0.0002609100000000 ] - [ -0.0001623400000000, 0.0000581200000000, 0.0021878400000000 ] - [ -0.0012978200000000, -0.0007343700000000, -0.0005660800000000 ] - [ 0.0001281200000000, 0.0002018100000000, 0.0001090900000000 ] - [ 0.0000651800000000, -0.0000208100000000, -0.0001149600000000 ] - [ 0.0001397300000000, 0.0000059700000000, -0.0003904500000000 ] - [ -0.0000212900000000, 0.0000519100000000, -0.0003774100000000 ] - [ -0.0001091600000000, -0.0001178700000000, -0.0002228800000000 ] - [ -0.0000730200000000, 0.0001628400000000, 0.0002267900000000 ] - [ -0.0001742700000000, -0.0000633500000000, -0.0006326400000000 ] - [ -0.0001545100000000, -0.0000745600000000, -0.0003478000000000 ] - [ 0.0020674200000000, 0.0015412900000000, 0.0010655600000000 ] - [ 0.0002871200000000, 0.0002571400000000, 0.0003154800000000 ] - [ 0.0001004400000000, -0.0000333900000000, 0.0000279400000000 ] - [ 0.0002429700000000, 0.0013408200000000, 0.0011767600000000 ] - [ 0.0000869700000000, 0.0003185500000000, -0.0002230400000000 ] - [ -0.0000300100000000, 0.0000633400000000, -0.0008164000000000 ] - [ 0.0000322900000000, 0.0000116900000000, 0.0002654700000000 ] - [ 0.0002501300000000, -0.0007812000000000, 0.0015218700000000 ] - [ 0.0000407300000000, -0.0013725700000000, 0.0017639500000000 ] - [ 0.0007653500000000, 0.0024374700000000, -0.0018537000000000 ] - [ -0.0002910300000000, -0.0001363500000000, -0.0001544600000000 ] - [ 0.0004114000000000, -0.0001021500000000, -0.0006348700000000 ] - [ -0.0002376500000000, -0.0000466600000000, 0.0003175000000000 ] - [ 0.0000031000000000, -0.0002877400000000, 0.0001520800000000 ] - [ -0.0003708700000000, 0.0010893900000000, -0.0016790800000000 ] - [ -0.0000034500000000, -0.0013073200000000, -0.0028072700000000 ] - [ 0.0001903400000000, 0.0002261300000000, 0.0001982000000000 ] - [ 0.0002153500000000, -0.0001676800000000, 0.0003945900000000 ] - [ 0.0000444200000000, -0.0001582700000000, -0.0002282800000000 ] - [ -0.0002146200000000, -0.0003784900000000, -0.0001867100000000 ] - [ -0.0012369300000000, 0.0018113300000000, 0.0011116400000000 ] - [ -0.0014046400000000, -0.0020164200000000, 0.0054230300000000 ] - [ 0.0001852400000000, 0.0000574100000000, 0.0001709100000000 ] - [ -0.0000515900000000, 0.0004549300000000, -0.0010210700000000 ] - [ 0.0007789700000000, -0.0006432000000000, 0.0005684900000000 ] - [ -0.0002650500000000, 0.0002090300000000, 0.0003421000000000 ] - [ -0.0002954700000000, -0.0004587500000000, -0.0018741300000000 ] - [ 0.0003130500000000, -0.0004188700000000, -0.0019485400000000 ] - [ 0.0004440700000000, 0.0001344800000000, 0.0004384100000000 ] - [ -0.0002968300000000, -0.0004672700000000, -0.0022837700000000 ] - [ 0.0009035900000000, -0.0000406100000000, -0.0007712700000000 ] - [ -0.0007002500000000, -0.0008896700000000, 0.0015877300000000 ] - [ -0.0001614300000000, -0.0002621800000000, -0.0014967100000000 ] - [ 0.0001426000000000, -0.0000481800000000, 0.0005881700000000 ] - [ 0.0018698400000000, -0.0001397900000000, -0.0004169600000000 ] - [ 0.0930731700000000, -0.0278342700000000, 0.0889314600000000 ] - [ 0.0047420200000000, -0.0001946400000000, 0.0005740800000000 ] - [ 0.0005244500000000, 0.0005298300000000, -0.0023781300000000 ] - [ 0.0002875900000000, 0.0000756400000000, 0.0008717300000000 ] - [ -0.0002199300000000, -0.0002021000000000, 0.0000271600000000 ] - [ -0.0002462100000000, -0.0001282900000000, -0.0002588000000000 ] - [ -0.0004492100000000, 0.0005465900000000, -0.0003752300000000 ] - [ -0.0022614400000000, 0.0009386300000000, -0.0006233200000000 ] - [ -0.0005470200000000, 0.0002546000000000, -0.0000776600000000 ] - [ 0.0004228100000000, 0.0006133400000000, 0.0004561300000000 ] - [ 0.0012204100000000, -0.0002623000000000, 0.0013749100000000 ] - [ 0.0086324300000000, 0.0041346400000000, -0.0077024900000000 ] - [ -0.0005705600000000, -0.0010098100000000, 0.0011589200000000 ] - [ -0.0003371800000000, -0.0000214800000000, 0.0010406400000000 ] - [ 0.0004660500000000, 0.0002606200000000, 0.0014318600000000 ] - [ 0.0001202700000000, 0.0001474200000000, 0.0009341600000000 ] - [ 0.0009721100000000, -0.0007080100000000, 0.0003655100000000 ] - [ -0.1131689200000000, 0.0293134700000000, -0.0936947000000000 ] - [ 0.0197302700000000, -0.0127487500000000, 0.0131922800000000 ] - [ 0.0000524700000000, -0.0003500900000000, 0.0002312300000000 ] - [ 0.0001712700000000, -0.0000802900000000, 0.0002446900000000 ] - [ -0.0002442200000000, 0.0004098500000000, -0.0000407000000000 ] - [ 0.0001913400000000, -0.0002124600000000, -0.0004634800000000 ] - [ 0.0000211600000000, 0.0001301100000000, 0.0001240700000000 ] - [ -0.0003868000000000, 0.0000313200000000, -0.0007167800000000 ] - [ -0.0088165600000000, 0.0049883000000000, -0.0073303400000000 ] - [ 0.0004686800000000, -0.0004328400000000, 0.0001417000000000 ] - [ 0.0007414800000000, -0.0008014800000000, -0.0001097100000000 ] - [ -0.0003061900000000, -0.0003788400000000, 0.0007112900000000 ] - [ -0.0001089100000000, 0.0000937300000000, 0.0009305500000000 ] - [ -0.0000909500000000, 0.0002104700000000, -0.0000538900000000 ] - [ 0.0001317600000000, -0.0000481800000000, -0.0009615300000000 ] - [ 0.0002693700000000, -0.0000928000000000, 0.0014595500000000 ] - [ -0.0001034900000000, 0.0000114800000000, -0.0003488400000000 ] - [ -0.0004170000000000, 0.0000775700000000, 0.0000547100000000 ] - [ -0.0008208500000000, -0.0001099200000000, 0.0006383400000000 ] - [ 0.0001179900000000, -0.0001981400000000, -0.0005433700000000 ] - [ 0.0000024400000000, -0.0002302200000000, 0.0002864300000000 ] - [ 0.0017020300000000, -0.0009624300000000, 0.0000221200000000 ] - [ 0.0000617400000000, -0.0000483400000000, -0.0004443500000000 ] - [ -0.0000359600000000, -0.0001471400000000, 0.0001529000000000 ] - [ -0.0000196200000000, -0.0001411200000000, -0.0005074600000000 ] - [ -0.0000855900000000, -0.0006422100000000, -0.0002932000000000 ] - [ 0.0006508100000000, 0.0006081400000000, -0.0010126900000000 ] - [ 0.0001770100000000, 0.0001843300000000, 0.0002489300000000 ] - [ 0.0005299600000000, -0.0004092800000000, -0.0004415500000000 ] - [ 0.0000471000000000, 0.0000306800000000, -0.0000205800000000 ] - [ 0.0002497600000000, -0.0001080100000000, -0.0000246700000000 ] - [ 0.0003421100000000, 0.0001017700000000, 0.0003432500000000 ] - [ 0.0000483500000000, 0.0001629300000000, 0.0000181500000000 ] - [ 0.0003461500000000, 0.0001343200000000, 0.0002280000000000 ] - [ -0.0001811100000000, 0.0000122200000000, 0.0011171800000000 ] - [ 0.0003505700000000, -0.0004899200000000, -0.0009853900000000 ] - [ -0.0001413800000000, -0.0015525100000000, -0.0019553000000000 ] - [ 0.0001264000000000, 0.0002559500000000, 0.0006377700000000 ] - [ 0.0000385700000000, -0.0002295000000000, 0.0000083500000000 ] - [ -0.0003151100000000, -0.0000930100000000, 0.0007445400000000 ] - [ -0.0013012700000000, 0.0009398200000000, -0.0000770700000000 ] - [ 0.0001097100000000, 0.0000390600000000, 0.0005262100000000 ] - [ -0.0001933200000000, 0.0001969400000000, 0.0000795300000000 ] - [ 0.0005237700000000, 0.0021207400000000, -0.0016144100000000 ] - [ -0.0030136800000000, 0.0007635700000000, 0.0004676200000000 ] - [ -0.0000151400000000, 0.0000677400000000, 0.0004400500000000 ] - [ -0.0013492900000000, 0.0002694400000000, -0.0021600900000000 ] - [ -0.0006713900000000, 0.0004789900000000, 0.0007593800000000 ] - [ 0.0001340400000000, -0.0000861800000000, 0.0000635300000000 ] - [ -0.0000153500000000, 0.0000405700000000, -0.0001793600000000 ] - [ -0.0005764900000000, 0.0012757100000000, 0.0022997600000000 ] - [ -0.0003693500000000, 0.0003409500000000, 0.0012920500000000 ] - [ -0.0001930400000000, 0.0000721300000000, -0.0003776700000000 ] - [ -0.0003629500000000, -0.0005159000000000, 0.0018638900000000 ] - [ -0.0003929800000000, 0.0002424200000000, -0.0004386300000000 ] - [ -0.0000852300000000, 0.0002043800000000, 0.0009578000000000 ] - [ -0.0003303400000000, -0.0000601700000000, -0.0010209400000000 ] - [ -0.0018297000000000, 0.0011669700000000, 0.0004378400000000 ] - [ 0.0001800700000000, 0.0002207300000000, 0.0009572300000000 ] - [ 0.0012348100000000, -0.0003734700000000, 0.0001222900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006249000000000, -0.0002227200000000, 0.0003535400000000 ] - [ 0.0002138800000000, 0.0000130100000000, -0.0002845300000000 ] - [ -0.0000343400000000, 0.0004450400000000, 0.0003321200000000 ] - [ 0.0000563900000000, -0.0002037100000000, 0.0003542500000000 ] - [ 0.0005589900000000, -0.0003381200000000, -0.0007991300000000 ] - [ 0.0004986700000000, 0.0004697000000000, -0.0004606200000000 ] - [ -0.0004667200000000, -0.0000922500000000, 0.0011871100000000 ] - [ -0.0002123800000000, 0.0004676500000000, -0.0001920700000000 ] - [ -0.0001235900000000, 0.0000481100000000, 0.0002523800000000 ] - [ 0.0000765800000000, -0.0000510700000000, -0.0003770700000000 ] - [ 0.0001995100000000, -0.0001114200000000, -0.0023077900000000 ] - [ 0.0013124300000000, 0.0006834800000000, 0.0006906300000000 ] - [ -0.0001414500000000, -0.0002495200000000, 0.0000075700000000 ] - [ 0.0000836700000000, -0.0000725500000000, 0.0002783400000000 ] - [ 0.0001358800000000, -0.0001699800000000, 0.0000850200000000 ] - [ 0.0000068900000000, -0.0000031200000000, 0.0002610500000000 ] - [ -0.0000381500000000, 0.0000244100000000, 0.0003867500000000 ] - [ 0.0000412500000000, 0.0000519600000000, -0.0002390100000000 ] - [ 0.0003701100000000, 0.0002815200000000, 0.0006617700000000 ] - [ 0.0001213100000000, -0.0001387600000000, 0.0003381200000000 ] - [ -0.0022852100000000, -0.0017958300000000, -0.0010507600000000 ] - [ -0.0000097100000000, -0.0000934300000000, -0.0000099400000000 ] - [ 0.0001771700000000, -0.0001306700000000, 0.0002764700000000 ] - [ 0.0000344200000000, -0.0011864300000000, -0.0014751000000000 ] - [ 0.0000606400000000, -0.0002238400000000, 0.0000614100000000 ] - [ 0.0000449700000000, -0.0000157100000000, 0.0007020700000000 ] - [ 0.0001169000000000, 0.0000819200000000, -0.0001031000000000 ] - [ -0.0003117600000000, 0.0004569000000000, -0.0016799000000000 ] - [ -0.0003216700000000, 0.0015570200000000, -0.0020627600000000 ] - [ -0.0009131600000000, -0.0025106600000000, 0.0016412300000000 ] - [ 0.0000161900000000, -0.0000268700000000, 0.0004586200000000 ] - [ -0.0002214100000000, 0.0003189300000000, 0.0006053300000000 ] - [ -0.0000359100000000, 0.0002115600000000, -0.0000104000000000 ] - [ 0.0001898400000000, 0.0000740500000000, -0.0001778800000000 ] - [ 0.0004038300000000, -0.0008756500000000, 0.0016896300000000 ] - [ -0.0001476600000000, 0.0013964400000000, 0.0026334200000000 ] - [ -0.0001594300000000, -0.0004398800000000, -0.0001908600000000 ] - [ -0.0000224000000000, -0.0000483600000000, -0.0003675300000000 ] - [ -0.0000105400000000, -0.0000550300000000, 0.0002187100000000 ] - [ 0.0002032300000000, 0.0004299700000000, 0.0003025800000000 ] - [ 0.0011478900000000, -0.0013828700000000, -0.0004849200000000 ] - [ 0.0013416000000000, 0.0015781700000000, -0.0058790900000000 ] - [ -0.0000844100000000, 0.0004212600000000, 0.0002238700000000 ] - [ 0.0001522300000000, 0.0000284800000000, 0.0006250400000000 ] - [ -0.0006686200000000, 0.0010628700000000, 0.0000619400000000 ] - [ -0.0000425700000000, -0.0001449000000000, -0.0000615800000000 ] - [ 0.0001905900000000, 0.0009392700000000, 0.0014772200000000 ] - [ -0.0000079400000000, 0.0003558300000000, 0.0016762800000000 ] - [ -0.0003469200000000, -0.0005696900000000, -0.0010793300000000 ] - [ -0.0000113800000000, 0.0004074900000000, 0.0020098000000000 ] - [ -0.0009990200000000, -0.0003925900000000, 0.0014107600000000 ] - [ 0.0008017100000000, 0.0004078900000000, -0.0019895500000000 ] - [ 0.0000625000000000, 0.0006965800000000, 0.0008666900000000 ] - [ -0.0004538200000000, 0.0001133100000000, -0.0008703500000000 ] - [ -0.0019669400000000, -0.0003429600000000, 0.0008191700000000 ] - [ -0.0905140300000000, 0.0273165200000000, -0.0893992700000000 ] - [ -0.0048186100000000, -0.0002030600000000, -0.0013181400000000 ] - [ -0.0004251100000000, -0.0000949800000000, 0.0017462500000000 ] - [ 0.0000245100000000, -0.0000125700000000, -0.0005889100000000 ] - [ 0.0003177800000000, -0.0002317400000000, 0.0006108900000000 ] - [ -0.0000585800000000, 0.0000635400000000, 0.0005339700000000 ] - [ 0.0007631100000000, -0.0006119100000000, 0.0006527200000000 ] - [ 0.0021790300000000, -0.0004597600000000, 0.0010199100000000 ] - [ 0.0006474000000000, -0.0007352800000000, 0.0004781100000000 ] - [ -0.0002149000000000, -0.0007812700000000, -0.0007720900000000 ] - [ -0.0015272100000000, 0.0005405700000000, -0.0015987400000000 ] - [ -0.0086027700000000, -0.0040890500000000, 0.0082724000000000 ] - [ 0.0003638600000000, 0.0008415900000000, -0.0014729700000000 ] - [ 0.0003808200000000, -0.0000211600000000, -0.0009635800000000 ] - [ -0.0006195500000000, -0.0007912100000000, -0.0016984400000000 ] - [ -0.0004150800000000, 0.0001280500000000, -0.0007158500000000 ] - [ -0.0008619300000000, 0.0006296600000000, -0.0009996800000000 ] - [ 0.1105705500000000, -0.0284964100000000, 0.0938192900000000 ] - [ -0.0193728100000000, 0.0123212800000000, -0.0125477200000000 ] - [ -0.0002329400000000, 0.0001256700000000, -0.0002431200000000 ] - [ -0.0000642000000000, 0.0002994400000000, -0.0007288500000000 ] - [ 0.0000636200000000, -0.0001800500000000, 0.0000330900000000 ] - [ -0.0003066600000000, 0.0002942100000000, -0.0001707800000000 ] - [ -0.0001311300000000, 0.0000884900000000, -0.0006076700000000 ] - [ 0.0003479100000000, 0.0000118600000000, 0.0008019900000000 ] - [ 0.0087136300000000, -0.0049063600000000, 0.0074872900000000 ] - [ -0.0004307200000000, 0.0003908100000000, -0.0002233600000000 ] - [ -0.0004444000000000, 0.0005251500000000, -0.0001115600000000 ] - [ 0.0001256900000000, 0.0006029800000000, -0.0007014800000000 ] - [ 0.0003157300000000, 0.0000733500000000, -0.0006245600000000 ] - [ -0.0000163000000000, -0.0004344300000000, 0.0005410600000000 ] - [ -0.0000247000000000, -0.0001718400000000, 0.0004721600000000 ] - [ -0.0003113300000000, 0.0000498100000000, -0.0013803300000000 ] - [ -0.0001038900000000, 0.0001565700000000, 0.0000422600000000 ] - [ 0.0004553600000000, -0.0000331500000000, -0.0001402300000000 ] - [ 0.0009991500000000, -0.0001132900000000, -0.0006503900000000 ] - [ 0.0001873300000000, 0.0001528200000000, 0.0003632800000000 ] - [ 0.0001553800000000, -0.0003045200000000, -0.0005550700000000 ] - [ -0.0015307900000000, 0.0011922500000000, -0.0000298900000000 ] - [ -0.0002412800000000, -0.0001755500000000, 0.0004562800000000 ] - [ -0.0002700300000000, 0.0001929700000000, 0.0000297200000000 ] - [ -0.0000896400000000, -0.0000792800000000, 0.0000209500000000 ] - [ 0.0000848500000000, 0.0006442300000000, 0.0002949600000000 ] - [ -0.0009647500000000, -0.0008976500000000, 0.0012343800000000 ] - [ -0.0001762600000000, -0.0001836300000000, -0.0002505500000000 ] - [ -0.0003261100000000, 0.0002392400000000, 0.0007571300000000 ] - [ -0.0000878300000000, 0.0000142100000000, -0.0000629400000000 ] - [ -0.0005550000000000, 0.0000631000000000, 0.0002027900000000 ] - [ -0.0001850700000000, 0.0004299900000000, -0.0000798400000000 ] - [ 0.0002499800000000, 0.0001137100000000, -0.0002347100000000 ] - [ -0.0000458900000000, -0.0000884900000000, -0.0000463400000000 ] - [ 0.0004875000000000, 0.0000308800000000, -0.0013004100000000 ] - [ -0.0000568600000000, 0.0002154900000000, 0.0012048700000000 ] - [ 0.0003092800000000, 0.0013170500000000, 0.0019842700000000 ] - [ 0.0000558200000000, -0.0000306200000000, -0.0006299600000000 ] - [ 0.0001175300000000, -0.0003018600000000, 0.0002575100000000 ] - [ 0.0003134600000000, 0.0000938000000000, -0.0007461900000000 ] - [ 0.0012800400000000, -0.0009258200000000, 0.0000985700000000 ] - [ 0.0001882200000000, 0.0002376700000000, -0.0003110200000000 ] - [ 0.0001466000000000, -0.0002395600000000, -0.0001555800000000 ] - [ -0.0003661300000000, -0.0015918800000000, 0.0013598600000000 ] - [ 0.0032463000000000, -0.0006082200000000, -0.0007610100000000 ] - [ -0.0001930500000000, 0.0000990900000000, -0.0001327000000000 ] - [ 0.0011990700000000, 0.0002530100000000, 0.0019134400000000 ] - [ 0.0005141600000000, 0.0000527600000000, -0.0004966700000000 ] - [ 0.0001673300000000, 0.0000400500000000, 0.0001154900000000 ] - [ -0.0001018000000000, -0.0001220800000000, -0.0004520200000000 ] - [ 0.0004743400000000, -0.0010612400000000, -0.0018205100000000 ] - [ 0.0004886400000000, -0.0004237400000000, -0.0006616600000000 ] - [ -0.0000180900000000, -0.0002364200000000, 0.0006869200000000 ] - [ 0.0004760600000000, 0.0007425800000000, -0.0013838000000000 ] - [ 0.0002793600000000, -0.0001615300000000, 0.0010728900000000 ] - [ -0.0002177500000000, -0.0001577900000000, -0.0011416200000000 ] - [ 0.0004442500000000, 0.0001418300000000, 0.0003856700000000 ] - [ 0.0015308600000000, -0.0014369400000000, -0.0006595700000000 ] - [ -0.0002979100000000, -0.0003054800000000, -0.0003265300000000 ] - [ -0.0014007400000000, -0.0001607100000000, 0.0001503500000000 ]- atom: 74 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000279600000000, -0.0001107700000000, 0.0003184500000000 ] - [ -0.0009184800000000, 0.0000052100000000, 0.0002280600000000 ] - [ 0.0001989300000000, 0.0003555800000000, 0.0000974600000000 ] - [ -0.0000687300000000, 0.0001778200000000, -0.0000402500000000 ] - [ -0.0032596400000000, 0.0008091800000000, 0.0010319600000000 ] - [ -0.0006099500000000, -0.0000457100000000, -0.0002684600000000 ] - [ 0.0002747500000000, -0.0001036700000000, -0.0001342400000000 ] - [ 0.0004226800000000, 0.0000001400000000, -0.0000570700000000 ] - [ -0.0001658900000000, 0.0000665800000000, -0.0000125400000000 ] - [ -0.0000425300000000, 0.0001806900000000, 0.0000811400000000 ] - [ -0.0019589000000000, 0.0008824500000000, -0.0004233800000000 ] - [ -0.0011183100000000, -0.0017234200000000, -0.0019524900000000 ] - [ -0.0000939400000000, -0.0004401700000000, 0.0001628700000000 ] - [ -0.0002434900000000, -0.0000766300000000, 0.0000796200000000 ] - [ 0.0002935700000000, -0.0000642700000000, -0.0001407200000000 ] - [ -0.0000763600000000, 0.0001157400000000, -0.0001853700000000 ] - [ -0.0005581400000000, -0.0000985600000000, -0.0000242300000000 ] - [ -0.0003109300000000, -0.0000074500000000, 0.0001012900000000 ] - [ -0.0000520300000000, 0.0000191200000000, 0.0001197700000000 ] - [ -0.0005601600000000, -0.0000736200000000, -0.0002934300000000 ] - [ 0.0018744200000000, -0.0012742800000000, 0.0009548500000000 ] - [ -0.0008791200000000, -0.0001619700000000, 0.0002546700000000 ] - [ -0.0000087700000000, -0.0000546800000000, 0.0001643800000000 ] - [ 0.0026788000000000, 0.0005625700000000, 0.0000313000000000 ] - [ 0.0006162900000000, 0.0001410500000000, -0.0001387600000000 ] - [ -0.0001001100000000, 0.0001281700000000, 0.0001138800000000 ] - [ -0.0003046900000000, 0.0000245000000000, 0.0000085100000000 ] - [ 0.0006918900000000, -0.0006813200000000, -0.0009529900000000 ] - [ 0.0009347400000000, 0.0011065100000000, -0.0002386400000000 ] - [ 0.0007491700000000, 0.0004239700000000, -0.0006741600000000 ] - [ -0.0004592500000000, -0.0001208900000000, 0.0001452300000000 ] - [ 0.0001793500000000, 0.0002485400000000, 0.0000775300000000 ] - [ -0.0008217800000000, -0.0001175200000000, 0.0000796600000000 ] - [ 0.0002866500000000, -0.0004510000000000, -0.0000484100000000 ] - [ 0.0022569100000000, 0.0003942600000000, -0.0004057900000000 ] - [ 0.0027852100000000, -0.0003184000000000, -0.0001508900000000 ] - [ 0.0002362500000000, -0.0002392000000000, 0.0001099100000000 ] - [ -0.0001003600000000, 0.0000311900000000, 0.0000019800000000 ] - [ -0.0001507800000000, -0.0000368600000000, 0.0000326600000000 ] - [ -0.0000328300000000, -0.0000441100000000, -0.0000592200000000 ] - [ -0.0005073600000000, 0.0007659200000000, 0.0001185400000000 ] - [ -0.0037130000000000, -0.0026676800000000, 0.0033315300000000 ] - [ -0.0000844500000000, 0.0005129700000000, 0.0004408300000000 ] - [ 0.0002254200000000, -0.0001888500000000, 0.0002365900000000 ] - [ -0.0007348400000000, 0.0011630300000000, 0.0011119100000000 ] - [ -0.0008924800000000, 0.0001578800000000, 0.0001052700000000 ] - [ -0.0001115000000000, -0.0002195600000000, -0.0012107800000000 ] - [ 0.0012439600000000, -0.0001912000000000, -0.0001992000000000 ] - [ 0.0004151500000000, -0.0003343300000000, -0.0004645300000000 ] - [ 0.0009188700000000, -0.0003671800000000, -0.0000558800000000 ] - [ -0.0016821800000000, -0.0001361300000000, 0.0013471800000000 ] - [ 0.0008946500000000, -0.0014307300000000, -0.0006074900000000 ] - [ 0.0004168100000000, -0.0005571700000000, -0.0007935300000000 ] - [ 0.0006836900000000, -0.0000359200000000, -0.0002241200000000 ] - [ -0.0016391600000000, 0.0004994100000000, 0.0004788200000000 ] - [ 0.0449660100000000, -0.0005896100000000, 0.0012217000000000 ] - [ -0.0024786900000000, -0.0013004600000000, 0.0035981700000000 ] - [ -0.0000710600000000, -0.0003531100000000, 0.0019526200000000 ] - [ -0.0027232700000000, 0.0004301700000000, 0.0002189800000000 ] - [ -0.0003594400000000, -0.0001273200000000, 0.0001858900000000 ] - [ -0.0007269900000000, 0.0001378000000000, 0.0003071300000000 ] - [ -0.0005135500000000, 0.0000635500000000, 0.0001002400000000 ] - [ -0.0005131300000000, 0.0003491800000000, -0.0003595100000000 ] - [ -0.0011416400000000, 0.0006512800000000, -0.0003883900000000 ] - [ -0.0008975100000000, 0.0004531800000000, 0.0003466300000000 ] - [ -0.0000700500000000, 0.0001222500000000, 0.0001682300000000 ] - [ 0.0000477200000000, 0.0132130300000000, -0.0103554700000000 ] - [ -0.0007024200000000, 0.0015711900000000, -0.0021638000000000 ] - [ -0.0004224800000000, 0.0000926700000000, 0.0004234300000000 ] - [ -0.0007889600000000, 0.0003629500000000, 0.0012634300000000 ] - [ 0.0001612600000000, 0.0001671900000000, 0.0003470900000000 ] - [ 0.0005113400000000, -0.0002773500000000, -0.0001356100000000 ] - [ 0.0006565600000000, -0.0102665900000000, 0.0194134100000000 ] - [ -0.0450769600000000, -0.0017169700000000, 0.0049218900000000 ] - [ 0.0000497100000000, -0.0005502000000000, 0.0003111800000000 ] - [ 0.0003109700000000, 0.0000782500000000, -0.0002159700000000 ] - [ -0.0000994000000000, -0.0003341100000000, -0.0002969600000000 ] - [ 0.0006536900000000, -0.0003523800000000, -0.0004300300000000 ] - [ 0.0002344100000000, 0.0000951400000000, -0.0002685500000000 ] - [ -0.0003002200000000, -0.0000191200000000, 0.0000095300000000 ] - [ -0.0021531900000000, 0.0002895600000000, -0.0149429000000000 ] - [ 0.0003618100000000, -0.0001256100000000, 0.0001872400000000 ] - [ 0.0006733400000000, -0.0016606900000000, 0.0002842000000000 ] - [ 0.0001966100000000, 0.0006924400000000, -0.0006319300000000 ] - [ 0.0007866300000000, 0.0000267500000000, -0.0003105400000000 ] - [ -0.0004460000000000, -0.0001888000000000, 0.0002231100000000 ] - [ 0.0018724600000000, -0.0000871100000000, -0.0003121700000000 ] - [ -0.0006837100000000, 0.0000426300000000, -0.0007755800000000 ] - [ -0.0003673600000000, 0.0001052300000000, -0.0000431300000000 ] - [ 0.0015830000000000, -0.0004469500000000, -0.0000487300000000 ] - [ 0.0011225200000000, -0.0005996900000000, -0.0005737800000000 ] - [ -0.0003444600000000, -0.0001243400000000, -0.0000536700000000 ] - [ -0.0000852200000000, -0.0001486000000000, -0.0002513000000000 ] - [ 0.0004658400000000, -0.0001843700000000, 0.0003170600000000 ] - [ -0.0001745200000000, 0.0003928000000000, 0.0002817300000000 ] - [ 0.0002971200000000, 0.0000821700000000, -0.0000265100000000 ] - [ 0.0002918600000000, -0.0000867600000000, -0.0002652500000000 ] - [ -0.0000210500000000, -0.0001239200000000, 0.0000577400000000 ] - [ 0.0010642300000000, 0.0008550800000000, -0.0003825800000000 ] - [ 0.0000780900000000, 0.0001739300000000, 0.0000748300000000 ] - [ 0.0006238600000000, -0.0004336100000000, 0.0002971000000000 ] - [ 0.0002697600000000, 0.0000429800000000, -0.0000893000000000 ] - [ 0.0022490200000000, -0.0002777800000000, 0.0000120300000000 ] - [ 0.0006625200000000, 0.0000006900000000, 0.0004255900000000 ] - [ 0.0000812300000000, 0.0000731500000000, -0.0001655400000000 ] - [ 0.0005397400000000, 0.0000087700000000, 0.0001669900000000 ] - [ -0.0004969500000000, -0.0002110000000000, 0.0004368700000000 ] - [ 0.0004710600000000, 0.0011613000000000, 0.0009180500000000 ] - [ 0.0009619600000000, 0.0001699800000000, -0.0012328800000000 ] - [ -0.0000448700000000, 0.0005904600000000, 0.0006239600000000 ] - [ 0.0002359700000000, -0.0003189700000000, 0.0000626800000000 ] - [ 0.0004921900000000, 0.0001399200000000, -0.0009213600000000 ] - [ 0.0010630600000000, -0.0008895100000000, -0.0008282400000000 ] - [ 0.0002580800000000, 0.0002427700000000, 0.0000081200000000 ] - [ 0.0004803200000000, -0.0001598600000000, -0.0005158100000000 ] - [ -0.0003230900000000, 0.0009267300000000, 0.0002555800000000 ] - [ -0.0006088500000000, 0.0008473000000000, -0.0021564000000000 ] - [ 0.0001445500000000, 0.0000578300000000, 0.0002691600000000 ] - [ -0.0004896500000000, 0.0019058900000000, -0.0021953100000000 ] - [ 0.0006239800000000, -0.0001326000000000, -0.0001991800000000 ] - [ 0.0006726400000000, 0.0000482700000000, 0.0001251900000000 ] - [ 0.0001615400000000, -0.0000513500000000, -0.0004045500000000 ] - [ -0.0005170200000000, 0.0002474900000000, 0.0003797700000000 ] - [ -0.0005506000000000, 0.0004396000000000, 0.0006559200000000 ] - [ 0.0005520300000000, -0.0006182000000000, -0.0003884700000000 ] - [ -0.0003879800000000, 0.0000211400000000, 0.0003601200000000 ] - [ -0.0008433000000000, 0.0004052100000000, 0.0002237400000000 ] - [ -0.0006052100000000, -0.0002351800000000, -0.0005099200000000 ] - [ 0.0014303900000000, 0.0002355000000000, -0.0004007600000000 ] - [ 0.0005645500000000, -0.0011160800000000, -0.0004971100000000 ] - [ -0.0004053500000000, -0.0000403300000000, 0.0001768500000000 ] - [ 0.0004645400000000, -0.0002641300000000, 0.0005146700000000 ]- atom: 74 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000131100000000, 0.0001600500000000, -0.0002067700000000 ] - [ 0.0007725800000000, 0.0000865600000000, -0.0000634300000000 ] - [ -0.0002327800000000, -0.0001418800000000, -0.0000864400000000 ] - [ -0.0001247800000000, 0.0000395400000000, 0.0000120400000000 ] - [ 0.0030553400000000, -0.0010203600000000, -0.0009905800000000 ] - [ 0.0006434900000000, 0.0002579300000000, 0.0002624800000000 ] - [ -0.0005516600000000, -0.0000611200000000, -0.0001739500000000 ] - [ -0.0002754900000000, -0.0000953900000000, -0.0001073700000000 ] - [ -0.0000268200000000, 0.0001504000000000, 0.0000381600000000 ] - [ 0.0000308800000000, -0.0002284100000000, -0.0001957600000000 ] - [ 0.0019652200000000, -0.0009333500000000, 0.0003131200000000 ] - [ 0.0011788200000000, 0.0016958300000000, 0.0020846400000000 ] - [ 0.0000795100000000, 0.0003949800000000, -0.0000472700000000 ] - [ 0.0003916400000000, -0.0000162600000000, 0.0000820500000000 ] - [ -0.0000176900000000, -0.0000992300000000, -0.0001658000000000 ] - [ 0.0000627800000000, -0.0000671300000000, 0.0000673600000000 ] - [ 0.0004093900000000, 0.0000036000000000, 0.0001849600000000 ] - [ 0.0002790300000000, 0.0002218800000000, -0.0001115700000000 ] - [ 0.0002441400000000, 0.0001976600000000, -0.0000951600000000 ] - [ 0.0005263400000000, -0.0001392700000000, 0.0002794000000000 ] - [ -0.0023566200000000, 0.0009618000000000, -0.0009984900000000 ] - [ 0.0011597600000000, 0.0003309400000000, 0.0000501500000000 ] - [ 0.0002854700000000, -0.0001090700000000, 0.0001400100000000 ] - [ -0.0024027200000000, -0.0004158200000000, -0.0003303700000000 ] - [ -0.0004682600000000, -0.0000462300000000, -0.0000232800000000 ] - [ 0.0001127200000000, -0.0000808000000000, -0.0002319400000000 ] - [ 0.0004536300000000, 0.0000699400000000, 0.0001555200000000 ] - [ -0.0007306300000000, 0.0004626000000000, 0.0009565400000000 ] - [ -0.0012171500000000, -0.0009317500000000, -0.0000635300000000 ] - [ -0.0008995700000000, -0.0005135100000000, 0.0005039500000000 ] - [ 0.0001833800000000, -0.0000436600000000, 0.0001582100000000 ] - [ 0.0000140100000000, -0.0000334700000000, -0.0001087900000000 ] - [ 0.0005457400000000, 0.0002789500000000, 0.0002281600000000 ] - [ -0.0000927100000000, 0.0002355200000000, 0.0000237300000000 ] - [ -0.0022164500000000, -0.0001931900000000, 0.0004343800000000 ] - [ -0.0029348200000000, 0.0004288000000000, 0.0000141500000000 ] - [ -0.0002036800000000, 0.0000281800000000, -0.0001011400000000 ] - [ 0.0002921600000000, -0.0002470000000000, 0.0000262700000000 ] - [ 0.0001837900000000, -0.0001764800000000, -0.0000434500000000 ] - [ 0.0000183900000000, 0.0000919400000000, 0.0001749000000000 ] - [ 0.0004085400000000, -0.0003295300000000, 0.0005158000000000 ] - [ 0.0036549100000000, 0.0022142300000000, -0.0037548300000000 ] - [ 0.0001867100000000, -0.0000323700000000, -0.0000436900000000 ] - [ -0.0001273900000000, 0.0006733600000000, -0.0006374800000000 ] - [ 0.0008464800000000, -0.0007410300000000, -0.0004736300000000 ] - [ 0.0005836900000000, -0.0000919000000000, 0.0001757500000000 ] - [ 0.0000109100000000, 0.0006998200000000, 0.0008035700000000 ] - [ -0.0009333300000000, 0.0001267800000000, -0.0000844700000000 ] - [ -0.0003201100000000, -0.0000964600000000, -0.0001720200000000 ] - [ -0.0012296300000000, 0.0003036500000000, -0.0002304000000000 ] - [ 0.0015858900000000, -0.0003037000000000, -0.0007219300000000 ] - [ -0.0008058600000000, 0.0009542300000000, 0.0002163100000000 ] - [ -0.0005105800000000, 0.0009867100000000, 0.0001568200000000 ] - [ -0.0009969100000000, 0.0001011900000000, -0.0000534300000000 ] - [ 0.0015359800000000, -0.0009917000000000, -0.0000772500000000 ] - [ -0.0446376200000000, 0.0000164500000000, -0.0002226000000000 ] - [ 0.0024179500000000, 0.0008758500000000, -0.0042772700000000 ] - [ 0.0001655100000000, 0.0007929300000000, -0.0025965700000000 ] - [ 0.0030314100000000, -0.0003746200000000, 0.0000640700000000 ] - [ 0.0004566300000000, -0.0003057900000000, 0.0004493300000000 ] - [ 0.0004202500000000, -0.0002013100000000, -0.0000313100000000 ] - [ 0.0008234200000000, -0.0001255300000000, 0.0001752900000000 ] - [ 0.0004105300000000, 0.0001329400000000, 0.0007558000000000 ] - [ 0.0012409700000000, -0.0011280700000000, 0.0007868400000000 ] - [ 0.0010994600000000, -0.0006183200000000, -0.0006592400000000 ] - [ -0.0002236400000000, 0.0001529600000000, -0.0003842100000000 ] - [ -0.0000316700000000, -0.0131110100000000, 0.0110046800000000 ] - [ 0.0005023500000000, -0.0017449800000000, 0.0018576400000000 ] - [ 0.0004612900000000, -0.0001350000000000, -0.0003390600000000 ] - [ 0.0006289200000000, -0.0008940500000000, -0.0015234900000000 ] - [ -0.0004568500000000, 0.0001076700000000, -0.0001242000000000 ] - [ -0.0003945100000000, 0.0001959100000000, -0.0004950000000000 ] - [ -0.0009362600000000, 0.0102734300000000, -0.0196884600000000 ] - [ 0.0455910400000000, 0.0021685100000000, -0.0056890300000000 ] - [ -0.0002308000000000, 0.0003226200000000, -0.0003204500000000 ] - [ -0.0002027100000000, 0.0001394300000000, -0.0002658800000000 ] - [ -0.0000839300000000, 0.0005616500000000, 0.0002870800000000 ] - [ -0.0007695000000000, 0.0004305100000000, -0.0002035400000000 ] - [ -0.0003440600000000, 0.0001234100000000, -0.0002139900000000 ] - [ 0.0002611900000000, 0.0000590400000000, 0.0000730200000000 ] - [ 0.0020933100000000, -0.0002749500000000, 0.0150631700000000 ] - [ -0.0003211300000000, 0.0000816400000000, -0.0002686100000000 ] - [ -0.0003805600000000, 0.0013778300000000, -0.0005051500000000 ] - [ -0.0003763800000000, -0.0004711200000000, 0.0006452600000000 ] - [ -0.0005791900000000, 0.0001415500000000, 0.0006226900000000 ] - [ 0.0003382600000000, -0.0000344800000000, 0.0002629500000000 ] - [ -0.0017642800000000, -0.0001292800000000, -0.0001807500000000 ] - [ 0.0006453100000000, -0.0000846700000000, 0.0008637100000000 ] - [ 0.0001608300000000, 0.0000610300000000, -0.0002651300000000 ] - [ -0.0015467200000000, 0.0004942900000000, -0.0000287600000000 ] - [ -0.0009424900000000, 0.0003822900000000, 0.0005659600000000 ] - [ 0.0006499300000000, 0.0000808700000000, -0.0001288000000000 ] - [ 0.0002439300000000, -0.0003877000000000, -0.0000154200000000 ] - [ -0.0002828200000000, 0.0004082100000000, -0.0003267600000000 ] - [ -0.0000021300000000, -0.0006214000000000, -0.0002742300000000 ] - [ -0.0006036200000000, -0.0000374600000000, 0.0002092100000000 ] - [ -0.0004012800000000, -0.0001346000000000, -0.0002229400000000 ] - [ 0.0000214100000000, 0.0001221700000000, -0.0000580000000000 ] - [ -0.0013760100000000, -0.0011377900000000, 0.0005945800000000 ] - [ -0.0000790200000000, -0.0001738700000000, -0.0000747500000000 ] - [ -0.0004174100000000, 0.0002645900000000, 0.0000131500000000 ] - [ -0.0003109000000000, 0.0000004700000000, 0.0000070600000000 ] - [ -0.0025481400000000, 0.0002347600000000, 0.0001690300000000 ] - [ -0.0005053300000000, 0.0005293000000000, -0.0001583900000000 ] - [ 0.0002137000000000, 0.0002018200000000, -0.0000519500000000 ] - [ -0.0002367400000000, 0.0000365200000000, 0.0000146100000000 ] - [ 0.0008010900000000, 0.0002554000000000, -0.0006146200000000 ] - [ -0.0001756100000000, -0.0014475000000000, -0.0007088900000000 ] - [ -0.0007999600000000, -0.0004008600000000, 0.0012531500000000 ] - [ 0.0002233000000000, -0.0003638600000000, -0.0006091300000000 ] - [ -0.0000803300000000, -0.0002143300000000, 0.0002027800000000 ] - [ -0.0004920800000000, -0.0001415600000000, 0.0009280500000000 ] - [ -0.0010834200000000, 0.0009049000000000, 0.0008352600000000 ] - [ 0.0000398000000000, 0.0000326300000000, 0.0002097900000000 ] - [ -0.0005258700000000, 0.0001175700000000, 0.0004362700000000 ] - [ 0.0004860300000000, -0.0003923600000000, -0.0005245600000000 ] - [ 0.0008145800000000, -0.0006825300000000, 0.0018628400000000 ] - [ -0.0003529200000000, 0.0001081600000000, 0.0000399100000000 ] - [ 0.0003282000000000, -0.0013829100000000, 0.0019369600000000 ] - [ -0.0007803100000000, 0.0006673800000000, 0.0004646900000000 ] - [ -0.0003702200000000, -0.0000962800000000, 0.0000551500000000 ] - [ -0.0002792100000000, -0.0000303200000000, -0.0002259000000000 ] - [ 0.0004091000000000, -0.0000246900000000, 0.0001135100000000 ] - [ 0.0006648700000000, -0.0005194200000000, -0.0000199400000000 ] - [ -0.0007630600000000, 0.0004501000000000, 0.0006902400000000 ] - [ 0.0004963500000000, 0.0001990700000000, 0.0001318000000000 ] - [ 0.0007329200000000, -0.0003263400000000, 0.0004073800000000 ] - [ 0.0003006600000000, 0.0002799800000000, 0.0003287500000000 ] - [ -0.0013111400000000, -0.0001478300000000, -0.0002333700000000 ] - [ -0.0008552300000000, 0.0008448500000000, 0.0002739500000000 ] - [ 0.0002896700000000, -0.0000412200000000, 0.0004571300000000 ] - [ -0.0006216800000000, -0.0002696700000000, -0.0002465900000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001377800000000, 0.0001099000000000, 0.0005084200000000 ] - [ -0.0003665000000000, 0.0003182700000000, 0.0001721500000000 ] - [ 0.0001665500000000, -0.0007661800000000, -0.0001695600000000 ] - [ 0.0000030400000000, -0.0002154600000000, 0.0000052700000000 ] - [ 0.0013434000000000, 0.0010896100000000, -0.0004839500000000 ] - [ -0.0000076300000000, 0.0004749600000000, -0.0001994600000000 ] - [ -0.0001398300000000, 0.0004998400000000, -0.0001277300000000 ] - [ 0.0001281700000000, -0.0002251600000000, -0.0006086800000000 ] - [ -0.0001614100000000, -0.0001461000000000, 0.0000648100000000 ] - [ 0.0005292400000000, -0.0005715000000000, -0.0004578800000000 ] - [ 0.0011227400000000, 0.0000585100000000, -0.0001541800000000 ] - [ -0.0024565400000000, 0.0010715700000000, -0.0019578300000000 ] - [ -0.0004148100000000, -0.0006351900000000, 0.0001383400000000 ] - [ 0.0000564700000000, -0.0001278700000000, 0.0002010500000000 ] - [ 0.0001959200000000, -0.0005579700000000, -0.0000555400000000 ] - [ 0.0002134100000000, -0.0001733200000000, 0.0002566000000000 ] - [ -0.0001821400000000, -0.0000051800000000, -0.0000139900000000 ] - [ -0.0002449200000000, -0.0003614900000000, 0.0001190900000000 ] - [ 0.0000396000000000, 0.0003553600000000, 0.0001850600000000 ] - [ 0.0001256500000000, 0.0003754600000000, 0.0001218000000000 ] - [ -0.0006165200000000, 0.0023812900000000, -0.0004296300000000 ] - [ 0.0000029400000000, 0.0001097000000000, 0.0001439800000000 ] - [ 0.0001078600000000, -0.0003062600000000, 0.0002012900000000 ] - [ -0.0005632700000000, -0.0000602600000000, -0.0001102400000000 ] - [ 0.0000012100000000, -0.0010468100000000, 0.0003221400000000 ] - [ 0.0002279900000000, 0.0000751400000000, -0.0001632000000000 ] - [ 0.0000066100000000, -0.0001422800000000, -0.0000176300000000 ] - [ -0.0001746100000000, 0.0009742900000000, 0.0001514900000000 ] - [ 0.0009490800000000, -0.0026454300000000, 0.0000282500000000 ] - [ 0.0001535200000000, -0.0002928000000000, 0.0008183200000000 ] - [ -0.0001552300000000, 0.0001758500000000, 0.0002338100000000 ] - [ 0.0001680800000000, 0.0004600700000000, 0.0001672400000000 ] - [ -0.0005282800000000, -0.0002425900000000, -0.0000548600000000 ] - [ 0.0000720400000000, -0.0012572800000000, -0.0000906200000000 ] - [ -0.0000621600000000, 0.0023878700000000, 0.0007588500000000 ] - [ -0.0005089000000000, 0.0027505400000000, 0.0005032700000000 ] - [ 0.0001156700000000, -0.0008710200000000, 0.0000733200000000 ] - [ 0.0001829100000000, -0.0006290000000000, -0.0000162600000000 ] - [ 0.0000249000000000, -0.0004268000000000, -0.0000102600000000 ] - [ -0.0000798100000000, -0.0000051400000000, -0.0000052600000000 ] - [ -0.0001063300000000, -0.0005139100000000, 0.0004708800000000 ] - [ -0.0087610500000000, -0.0033474000000000, 0.0069749500000000 ] - [ 0.0001569500000000, -0.0001714300000000, 0.0001308700000000 ] - [ 0.0000164600000000, -0.0006973400000000, 0.0002316000000000 ] - [ -0.0000049400000000, 0.0006837900000000, -0.0001303000000000 ] - [ 0.0000740400000000, -0.0011039700000000, -0.0000240600000000 ] - [ -0.0001720400000000, 0.0007953100000000, -0.0004988300000000 ] - [ -0.0002760500000000, -0.0001311100000000, -0.0003206200000000 ] - [ 0.0000634100000000, -0.0013611100000000, -0.0006345400000000 ] - [ -0.0005466500000000, -0.0000910400000000, 0.0010081000000000 ] - [ -0.0003636400000000, 0.0018077400000000, 0.0002348200000000 ] - [ -0.0010394400000000, -0.0010574600000000, -0.0010859100000000 ] - [ -0.0010279700000000, -0.0008073400000000, -0.0014540100000000 ] - [ -0.0007168800000000, -0.0025605300000000, 0.0000896300000000 ] - [ 0.0011480700000000, 0.0004721500000000, -0.0005088000000000 ] - [ -0.0012692500000000, 0.0909027600000000, -0.1002456800000000 ] - [ 0.0014050300000000, 0.0032884500000000, -0.0004814400000000 ] - [ -0.0020973000000000, 0.0011426200000000, 0.0024654100000000 ] - [ -0.0002698700000000, 0.0012911900000000, 0.0002539800000000 ] - [ 0.0000395600000000, -0.0017298100000000, 0.0006169300000000 ] - [ -0.0001634800000000, 0.0000273400000000, 0.0001643500000000 ] - [ 0.0000550700000000, -0.0002291200000000, 0.0003411500000000 ] - [ 0.0002445800000000, 0.0003782300000000, 0.0005084700000000 ] - [ 0.0021509000000000, -0.0019542100000000, 0.0014583000000000 ] - [ 0.0006692100000000, 0.0012073900000000, 0.0008128800000000 ] - [ -0.0003005400000000, -0.0001014400000000, -0.0003727700000000 ] - [ 0.0151439500000000, 0.0167407500000000, -0.0194872500000000 ] - [ 0.0022844000000000, 0.0012101800000000, -0.0027860700000000 ] - [ 0.0001335200000000, 0.0003373300000000, 0.0003769900000000 ] - [ 0.0001891900000000, -0.0020397600000000, 0.0003342800000000 ] - [ 0.0000706100000000, -0.0002151200000000, 0.0001693300000000 ] - [ -0.0000556000000000, -0.0000065900000000, -0.0004287800000000 ] - [ -0.0059458700000000, -0.0043202700000000, -0.0126285700000000 ] - [ -0.0019676000000000, -0.1060507300000000, 0.1239080400000000 ] - [ -0.0005286900000000, 0.0012018100000000, -0.0006829300000000 ] - [ 0.0000849400000000, 0.0003292500000000, -0.0003639100000000 ] - [ -0.0002617500000000, 0.0001757700000000, 0.0002288400000000 ] - [ -0.0010406200000000, 0.0010591800000000, -0.0001580100000000 ] - [ -0.0000687000000000, -0.0000537700000000, -0.0003304400000000 ] - [ 0.0002417500000000, 0.0012288500000000, 0.0002660800000000 ] - [ -0.0025962000000000, -0.0072858300000000, 0.0078525200000000 ] - [ 0.0000297700000000, 0.0002091100000000, -0.0001662200000000 ] - [ -0.0023726900000000, 0.0017035100000000, -0.0011984900000000 ] - [ 0.0005723500000000, 0.0008249400000000, -0.0009700800000000 ] - [ 0.0001622000000000, -0.0004746700000000, 0.0000898000000000 ] - [ 0.0000221500000000, 0.0013045900000000, -0.0000040300000000 ] - [ 0.0000753800000000, -0.0009053000000000, -0.0002769300000000 ] - [ 0.0001541200000000, -0.0002833500000000, -0.0011404300000000 ] - [ -0.0001689700000000, 0.0005461300000000, -0.0000498700000000 ] - [ 0.0005375900000000, -0.0008397200000000, -0.0000687000000000 ] - [ -0.0007075400000000, -0.0012399600000000, 0.0003050600000000 ] - [ 0.0002360000000000, 0.0021469500000000, 0.0002295300000000 ] - [ 0.0001199400000000, 0.0004469600000000, -0.0002677400000000 ] - [ -0.0002434400000000, 0.0002974100000000, -0.0001950400000000 ] - [ 0.0000227300000000, 0.0008046600000000, 0.0005164800000000 ] - [ 0.0000464000000000, 0.0001148000000000, -0.0000993700000000 ] - [ -0.0000775600000000, 0.0005364300000000, -0.0000106300000000 ] - [ 0.0003223800000000, 0.0007126500000000, 0.0000487400000000 ] - [ 0.0027381400000000, 0.0013113500000000, -0.0001922300000000 ] - [ 0.0007791200000000, 0.0011185200000000, 0.0000824300000000 ] - [ 0.0001345600000000, 0.0002672700000000, 0.0000388500000000 ] - [ 0.0000372200000000, 0.0006651900000000, -0.0000784000000000 ] - [ 0.0006642000000000, -0.0009137500000000, 0.0000278500000000 ] - [ -0.0008119200000000, 0.0003547700000000, -0.0004628500000000 ] - [ 0.0001390500000000, 0.0004641400000000, -0.0001493100000000 ] - [ 0.0002046100000000, -0.0000131000000000, 0.0001120400000000 ] - [ 0.0004032300000000, 0.0004881100000000, -0.0012568600000000 ] - [ 0.0006818900000000, 0.0002093800000000, 0.0004925700000000 ] - [ 0.0010980300000000, -0.0030787000000000, -0.0024709300000000 ] - [ 0.0001775600000000, 0.0000214000000000, 0.0005850400000000 ] - [ -0.0000065500000000, 0.0001633700000000, 0.0001710700000000 ] - [ 0.0011930900000000, -0.0014095400000000, -0.0004518400000000 ] - [ 0.0000069800000000, -0.0009279300000000, 0.0002866400000000 ] - [ 0.0003486700000000, 0.0005451100000000, -0.0001220600000000 ] - [ -0.0000544600000000, -0.0002155700000000, 0.0000961900000000 ] - [ 0.0008916100000000, 0.0003041700000000, 0.0008864100000000 ] - [ 0.0000784400000000, -0.0009756900000000, 0.0002793700000000 ] - [ -0.0001318100000000, 0.0005562100000000, 0.0000245300000000 ] - [ 0.0007020700000000, 0.0028706900000000, -0.0033237600000000 ] - [ -0.0004403800000000, 0.0003787700000000, 0.0005093700000000 ] - [ 0.0002246200000000, 0.0004321900000000, 0.0001215900000000 ] - [ -0.0001105400000000, 0.0000390700000000, -0.0003734600000000 ] - [ 0.0000822200000000, -0.0003720800000000, -0.0003368000000000 ] - [ 0.0001466500000000, -0.0002671900000000, 0.0002481500000000 ] - [ -0.0002445400000000, -0.0001862100000000, 0.0005455000000000 ] - [ 0.0001429400000000, 0.0005221500000000, 0.0001739200000000 ] - [ 0.0006868400000000, 0.0015928100000000, 0.0007622600000000 ] - [ -0.0001502100000000, 0.0004386600000000, 0.0005409800000000 ] - [ -0.0003735300000000, -0.0006284300000000, -0.0002489700000000 ] - [ -0.0015263100000000, 0.0002319700000000, 0.0003646400000000 ] - [ 0.0000941900000000, 0.0002865000000000, 0.0001034900000000 ] - [ -0.0002643400000000, -0.0005866800000000, -0.0000507200000000 ]- atom: 74 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001526300000000, -0.0000595600000000, -0.0003939000000000 ] - [ 0.0002180400000000, -0.0002239700000000, -0.0000090600000000 ] - [ -0.0001988500000000, 0.0009785400000000, 0.0001792100000000 ] - [ -0.0001957100000000, 0.0004331000000000, -0.0000332800000000 ] - [ -0.0015279700000000, -0.0013151300000000, 0.0005134100000000 ] - [ 0.0000407900000000, -0.0002642500000000, 0.0001895200000000 ] - [ -0.0001368900000000, -0.0006643200000000, -0.0001817400000000 ] - [ 0.0000190300000000, 0.0001287100000000, 0.0004502300000000 ] - [ -0.0000317400000000, 0.0003632800000000, -0.0000384100000000 ] - [ -0.0005484700000000, 0.0005233900000000, 0.0003447700000000 ] - [ -0.0011205000000000, -0.0001034600000000, 0.0000401900000000 ] - [ 0.0024871100000000, -0.0010930700000000, 0.0020816500000000 ] - [ 0.0004040300000000, 0.0005873200000000, -0.0000227900000000 ] - [ 0.0000916100000000, 0.0000334500000000, -0.0000386500000000 ] - [ 0.0000799700000000, 0.0003942400000000, -0.0002503200000000 ] - [ -0.0002277400000000, 0.0002212100000000, -0.0003745100000000 ] - [ 0.0000339600000000, -0.0000885500000000, 0.0001767400000000 ] - [ 0.0002108600000000, 0.0005754400000000, -0.0001285100000000 ] - [ 0.0001532700000000, -0.0001397300000000, -0.0001592300000000 ] - [ -0.0001594600000000, -0.0005903100000000, -0.0001322600000000 ] - [ 0.0003854100000000, -0.0026173400000000, 0.0004107400000000 ] - [ 0.0002731400000000, 0.0000518900000000, 0.0001622700000000 ] - [ 0.0001688300000000, 0.0001421600000000, 0.0001033000000000 ] - [ 0.0008632300000000, 0.0000076400000000, -0.0002873100000000 ] - [ 0.0001472500000000, 0.0011434300000000, -0.0004887600000000 ] - [ -0.0002137300000000, -0.0000270600000000, 0.0000456900000000 ] - [ 0.0001416100000000, 0.0002347400000000, 0.0001813000000000 ] - [ 0.0001353300000000, -0.0011972800000000, -0.0001499300000000 ] - [ -0.0012183300000000, 0.0028043100000000, -0.0003244600000000 ] - [ -0.0003005700000000, 0.0002053900000000, -0.0009872700000000 ] - [ -0.0001208900000000, -0.0003401500000000, 0.0000701800000000 ] - [ 0.0000248100000000, -0.0002462900000000, -0.0001988100000000 ] - [ 0.0002511700000000, 0.0004070200000000, 0.0003602900000000 ] - [ 0.0001194500000000, 0.0010411500000000, 0.0000632100000000 ] - [ 0.0001193500000000, -0.0022149000000000, -0.0006770800000000 ] - [ 0.0003191900000000, -0.0025909700000000, -0.0005674800000000 ] - [ -0.0000826800000000, 0.0006594400000000, -0.0000614500000000 ] - [ 0.0000106000000000, 0.0004134800000000, 0.0000444900000000 ] - [ 0.0000084800000000, 0.0002137500000000, -0.0000001800000000 ] - [ 0.0000666700000000, 0.0000519900000000, 0.0001214400000000 ] - [ 0.0000080500000000, 0.0009546700000000, 0.0001637600000000 ] - [ 0.0086545200000000, 0.0028760900000000, -0.0073619300000000 ] - [ -0.0000563200000000, 0.0006490300000000, 0.0002670900000000 ] - [ 0.0000835700000000, 0.0011800700000000, -0.0006322700000000 ] - [ 0.0001123600000000, -0.0002672400000000, 0.0007633700000000 ] - [ -0.0003846100000000, 0.0011690200000000, 0.0003041700000000 ] - [ 0.0000699000000000, -0.0003132500000000, 0.0000960800000000 ] - [ 0.0005829800000000, 0.0000678100000000, 0.0000364400000000 ] - [ 0.0000386100000000, 0.0009302100000000, 0.0000029500000000 ] - [ 0.0002369100000000, 0.0000255400000000, -0.0012940700000000 ] - [ 0.0002683100000000, -0.0022444700000000, 0.0004035600000000 ] - [ 0.0011531800000000, 0.0005714800000000, 0.0006933800000000 ] - [ 0.0009280500000000, 0.0012423500000000, 0.0008147300000000 ] - [ 0.0004151400000000, 0.0026363900000000, -0.0003695200000000 ] - [ -0.0012472500000000, -0.0009526700000000, 0.0009118100000000 ] - [ 0.0016130900000000, -0.0907328300000000, 0.0971274200000000 ] - [ -0.0014364400000000, -0.0036841500000000, -0.0002100300000000 ] - [ 0.0022011400000000, -0.0007130000000000, -0.0031070500000000 ] - [ 0.0005794000000000, -0.0012285100000000, 0.0000298800000000 ] - [ 0.0000559700000000, 0.0012972700000000, 0.0000176100000000 ] - [ -0.0001440400000000, -0.0000941200000000, 0.0001111900000000 ] - [ 0.0002533700000000, 0.0001676200000000, -0.0000645100000000 ] - [ -0.0003474000000000, 0.0001051700000000, -0.0001143000000000 ] - [ -0.0020598700000000, 0.0014764400000000, -0.0010643100000000 ] - [ -0.0004594000000000, -0.0013742600000000, -0.0011206900000000 ] - [ 0.0000060100000000, 0.0003761600000000, 0.0001581600000000 ] - [ -0.0148400000000000, -0.0164701600000000, 0.0198607600000000 ] - [ -0.0025029800000000, -0.0013818900000000, 0.0024849600000000 ] - [ -0.0000932100000000, -0.0003826200000000, -0.0002914400000000 ] - [ -0.0003434700000000, 0.0015076300000000, -0.0006002300000000 ] - [ -0.0003664000000000, 0.0004893000000000, 0.0000515700000000 ] - [ 0.0001725800000000, -0.0000784900000000, -0.0002028100000000 ] - [ 0.0056280700000000, 0.0041557100000000, 0.0124407800000000 ] - [ 0.0019194400000000, 0.1058964400000000, -0.1205651900000000 ] - [ 0.0003507200000000, -0.0014294400000000, 0.0006744200000000 ] - [ 0.0000235300000000, -0.0001128800000000, -0.0001183500000000 ] - [ 0.0000826900000000, 0.0000538500000000, -0.0002389900000000 ] - [ 0.0009299800000000, -0.0009791000000000, -0.0004764700000000 ] - [ -0.0000406000000000, 0.0002731400000000, -0.0001526400000000 ] - [ -0.0002866900000000, -0.0011889500000000, -0.0001876600000000 ] - [ 0.0025670300000000, 0.0073333800000000, -0.0075920600000000 ] - [ 0.0000112200000000, -0.0002558200000000, 0.0000845000000000 ] - [ 0.0026825200000000, -0.0019831900000000, 0.0009862100000000 ] - [ -0.0007547500000000, -0.0006028100000000, 0.0009854000000000 ] - [ 0.0000453400000000, 0.0006418200000000, 0.0002183100000000 ] - [ -0.0001323500000000, -0.0015301200000000, 0.0004941300000000 ] - [ 0.0000328400000000, 0.0006847700000000, -0.0002135400000000 ] - [ -0.0001946300000000, 0.0002406600000000, 0.0012285500000000 ] - [ -0.0000399600000000, -0.0003802800000000, -0.0002598200000000 ] - [ -0.0004986200000000, 0.0008847100000000, -0.0000158700000000 ] - [ 0.0008856900000000, 0.0010156000000000, -0.0003184500000000 ] - [ 0.0000685600000000, -0.0022071700000000, -0.0004145100000000 ] - [ 0.0000367900000000, -0.0009824400000000, 0.0000025400000000 ] - [ 0.0004269700000000, -0.0000771700000000, 0.0001855700000000 ] - [ -0.0002041400000000, -0.0010300500000000, -0.0005077600000000 ] - [ -0.0003513300000000, -0.0000708400000000, 0.0002811900000000 ] - [ -0.0000302500000000, -0.0007576900000000, -0.0004763900000000 ] - [ -0.0003250700000000, -0.0007176900000000, -0.0000497700000000 ] - [ -0.0030250100000000, -0.0015861600000000, 0.0004078400000000 ] - [ -0.0007782100000000, -0.0011194000000000, -0.0000810100000000 ] - [ 0.0000731400000000, -0.0004391400000000, 0.0002720200000000 ] - [ -0.0000770900000000, -0.0006210200000000, -0.0000038600000000 ] - [ -0.0009676600000000, 0.0008663700000000, 0.0001511100000000 ] - [ 0.0009733300000000, 0.0001787300000000, 0.0007310100000000 ] - [ 0.0001585700000000, -0.0001881600000000, -0.0000681600000000 ] - [ 0.0000981100000000, 0.0000594200000000, 0.0000702700000000 ] - [ -0.0000993900000000, -0.0004435900000000, 0.0010802500000000 ] - [ -0.0003910700000000, -0.0004807200000000, -0.0002731400000000 ] - [ -0.0009200200000000, 0.0028253600000000, 0.0024700900000000 ] - [ 0.0000041800000000, 0.0002002400000000, -0.0005720300000000 ] - [ 0.0001630500000000, -0.0006949400000000, 0.0000926100000000 ] - [ -0.0011977100000000, 0.0014134100000000, 0.0004520600000000 ] - [ -0.0000305800000000, 0.0009429400000000, -0.0002759900000000 ] - [ -0.0000512600000000, -0.0002695900000000, 0.0003399300000000 ] - [ 0.0000090900000000, 0.0001728600000000, -0.0001740500000000 ] - [ -0.0007404700000000, 0.0002321800000000, -0.0011574600000000 ] - [ 0.0001227800000000, 0.0011327200000000, -0.0005634100000000 ] - [ -0.0000756000000000, -0.0003905000000000, 0.0002851800000000 ] - [ -0.0008602500000000, -0.0023327700000000, 0.0030445900000000 ] - [ 0.0002839700000000, 0.0001512800000000, -0.0002453300000000 ] - [ 0.0000782100000000, -0.0004789700000000, 0.0000590300000000 ] - [ -0.0000043800000000, -0.0001208900000000, -0.0002589600000000 ] - [ -0.0001903400000000, 0.0005959500000000, 0.0008300400000000 ] - [ -0.0000308100000000, 0.0001823900000000, 0.0003875600000000 ] - [ 0.0000347200000000, 0.0000241300000000, -0.0002373100000000 ] - [ -0.0000347300000000, -0.0003042100000000, 0.0003174800000000 ] - [ -0.0008127200000000, -0.0015153600000000, -0.0001329000000000 ] - [ -0.0001531400000000, -0.0003926400000000, -0.0007182700000000 ] - [ 0.0004884200000000, 0.0007100800000000, -0.0003881400000000 ] - [ 0.0012271400000000, -0.0005101100000000, -0.0005866400000000 ] - [ -0.0002093800000000, -0.0003695700000000, 0.0005318400000000 ] - [ 0.0001080000000000, 0.0000519500000000, 0.0003205900000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003321200000000, 0.0003546000000000, -0.0010840300000000 ] - [ 0.0003129500000000, 0.0000801300000000, 0.0001365000000000 ] - [ 0.0001954600000000, -0.0006050100000000, 0.0002444200000000 ] - [ -0.0000569300000000, 0.0001622900000000, -0.0004778400000000 ] - [ 0.0004896000000000, -0.0003177300000000, 0.0018654900000000 ] - [ -0.0001128600000000, -0.0001255900000000, 0.0001160300000000 ] - [ 0.0001688900000000, -0.0000892600000000, -0.0017493500000000 ] - [ 0.0000377800000000, -0.0004840700000000, -0.0005326600000000 ] - [ -0.0001661100000000, 0.0001253500000000, -0.0003914900000000 ] - [ 0.0001128200000000, -0.0001096100000000, 0.0003362300000000 ] - [ -0.0018908600000000, 0.0004954300000000, 0.0007069000000000 ] - [ -0.0016063700000000, -0.0011977500000000, 0.0025106700000000 ] - [ 0.0002000100000000, 0.0002646900000000, 0.0005225800000000 ] - [ 0.0001232200000000, 0.0000409800000000, -0.0000490300000000 ] - [ 0.0000413900000000, 0.0000506400000000, -0.0005540100000000 ] - [ -0.0003433000000000, 0.0002749000000000, -0.0005848900000000 ] - [ -0.0002843500000000, -0.0001950800000000, -0.0000915600000000 ] - [ 0.0001797800000000, 0.0003980400000000, -0.0000249200000000 ] - [ 0.0001847900000000, 0.0000608700000000, -0.0005756000000000 ] - [ -0.0005718900000000, -0.0000626300000000, -0.0002989800000000 ] - [ 0.0001542800000000, -0.0007298800000000, 0.0036463500000000 ] - [ 0.0001763500000000, 0.0001035100000000, 0.0005270800000000 ] - [ 0.0002075900000000, -0.0000434100000000, -0.0000988500000000 ] - [ 0.0001866100000000, -0.0011633600000000, 0.0029666600000000 ] - [ 0.0000885300000000, 0.0008552800000000, 0.0002627500000000 ] - [ 0.0003600700000000, -0.0000592900000000, -0.0006829700000000 ] - [ 0.0001032400000000, 0.0000081600000000, 0.0001796000000000 ] - [ -0.0010731200000000, -0.0012478300000000, -0.0020429500000000 ] - [ -0.0006964500000000, 0.0015368100000000, 0.0014433900000000 ] - [ -0.0003030100000000, 0.0010266900000000, -0.0017168500000000 ] - [ -0.0001751700000000, -0.0000858400000000, -0.0004228200000000 ] - [ 0.0000946000000000, -0.0001915800000000, -0.0014144100000000 ] - [ -0.0000540700000000, 0.0000044300000000, 0.0007090800000000 ] - [ 0.0001399600000000, 0.0000908400000000, 0.0007161100000000 ] - [ 0.0003156800000000, 0.0005828200000000, 0.0012025900000000 ] - [ -0.0001877400000000, 0.0003553000000000, 0.0027654100000000 ] - [ -0.0000215200000000, 0.0002973500000000, -0.0003313600000000 ] - [ 0.0000258500000000, 0.0000338200000000, 0.0003917800000000 ] - [ 0.0000831100000000, -0.0000973800000000, -0.0000732700000000 ] - [ -0.0000520700000000, -0.0001003500000000, -0.0003996500000000 ] - [ -0.0004659700000000, 0.0009858600000000, 0.0000049800000000 ] - [ 0.0055269000000000, 0.0042576600000000, -0.0028407100000000 ] - [ 0.0001957900000000, -0.0002806100000000, -0.0005557000000000 ] - [ 0.0002522700000000, 0.0010219000000000, -0.0009357000000000 ] - [ 0.0024386500000000, -0.0025948800000000, -0.0003537200000000 ] - [ -0.0003402800000000, 0.0003941000000000, 0.0007822900000000 ] - [ -0.0018696600000000, -0.0021308600000000, -0.0033028900000000 ] - [ -0.0002658100000000, -0.0009262600000000, -0.0019023600000000 ] - [ 0.0000752900000000, 0.0000616200000000, -0.0005270800000000 ] - [ 0.0003399700000000, 0.0001246800000000, -0.0026825300000000 ] - [ 0.0016561300000000, -0.0002416300000000, 0.0002349400000000 ] - [ -0.0007990800000000, -0.0008125600000000, 0.0008827200000000 ] - [ -0.0004234700000000, -0.0010176600000000, -0.0011018500000000 ] - [ -0.0002135000000000, -0.0000006300000000, 0.0006544800000000 ] - [ 0.0009789800000000, -0.0012618500000000, 0.0014979200000000 ] - [ 0.0027773200000000, -0.0945608400000000, 0.2335469000000000 ] - [ 0.0089409900000000, 0.0028931900000000, -0.0097386900000000 ] - [ 0.0021953300000000, 0.0008567100000000, -0.0026252000000000 ] - [ -0.0000424300000000, 0.0000028100000000, 0.0016889900000000 ] - [ -0.0005832200000000, -0.0002550600000000, 0.0004492800000000 ] - [ 0.0002226100000000, -0.0002932100000000, -0.0009378500000000 ] - [ 0.0001249100000000, 0.0002355900000000, -0.0006825800000000 ] - [ -0.0005629500000000, 0.0004084000000000, -0.0009043100000000 ] - [ -0.0007345700000000, 0.0006270100000000, 0.0005285700000000 ] - [ 0.0007545800000000, 0.0014135000000000, -0.0004379500000000 ] - [ 0.0000537900000000, 0.0000937200000000, 0.0010184400000000 ] - [ -0.0077383800000000, -0.0123436300000000, 0.0033143500000000 ] - [ -0.0024943500000000, -0.0023423600000000, 0.0006431000000000 ] - [ -0.0000651300000000, 0.0002463600000000, 0.0006700700000000 ] - [ 0.0020930100000000, 0.0016875900000000, 0.0035428000000000 ] - [ 0.0009956300000000, 0.0003374200000000, 0.0017912900000000 ] - [ 0.0003278900000000, -0.0002925700000000, 0.0003219000000000 ] - [ 0.0104569800000000, -0.0121466700000000, 0.0127387500000000 ] - [ 0.0052438600000000, 0.1182672700000000, -0.2872705200000000 ] - [ 0.0001648600000000, -0.0003870600000000, -0.0000104000000000 ] - [ 0.0000292100000000, -0.0000131900000000, 0.0003567700000000 ] - [ -0.0003291200000000, 0.0011534900000000, 0.0005153300000000 ] - [ 0.0003922900000000, -0.0004113300000000, -0.0008130000000000 ] - [ -0.0000813600000000, 0.0000212100000000, 0.0004753300000000 ] - [ 0.0000011800000000, -0.0003406800000000, -0.0000941000000000 ] - [ -0.0134241000000000, -0.0008186900000000, 0.0281042200000000 ] - [ 0.0002266900000000, -0.0002000900000000, 0.0004131900000000 ] - [ 0.0007750200000000, -0.0011354700000000, -0.0014557700000000 ] - [ -0.0007686600000000, -0.0008021800000000, 0.0008805700000000 ] - [ -0.0002359300000000, 0.0001609300000000, 0.0006396200000000 ] - [ -0.0000342400000000, -0.0003601500000000, -0.0006466500000000 ] - [ 0.0001197600000000, -0.0000797600000000, -0.0012757100000000 ] - [ -0.0002717200000000, -0.0005552800000000, 0.0016006000000000 ] - [ -0.0000161000000000, 0.0000414200000000, 0.0001641300000000 ] - [ -0.0004748900000000, 0.0000389100000000, -0.0007469200000000 ] - [ -0.0016304300000000, 0.0004217700000000, -0.0003143000000000 ] - [ 0.0001666000000000, 0.0001646100000000, -0.0003875300000000 ] - [ -0.0000820600000000, -0.0004218200000000, 0.0000983100000000 ] - [ 0.0007173600000000, -0.0001858300000000, 0.0004630200000000 ] - [ 0.0001171500000000, -0.0000183800000000, -0.0000805500000000 ] - [ -0.0003889200000000, -0.0001445300000000, 0.0005780500000000 ] - [ -0.0000759200000000, -0.0003438600000000, -0.0007544800000000 ] - [ -0.0000273500000000, -0.0003205200000000, 0.0000881700000000 ] - [ -0.0023719100000000, -0.0014504200000000, -0.0012217800000000 ] - [ 0.0005248000000000, 0.0005905700000000, 0.0000368900000000 ] - [ 0.0002432600000000, -0.0005850900000000, 0.0001411000000000 ] - [ 0.0002119200000000, -0.0000473100000000, -0.0003966200000000 ] - [ 0.0007186500000000, -0.0001931200000000, -0.0006290500000000 ] - [ 0.0005858300000000, -0.0002048200000000, -0.0000892300000000 ] - [ 0.0002422600000000, 0.0002219100000000, 0.0004618300000000 ] - [ 0.0000391900000000, 0.0001232500000000, 0.0004572500000000 ] - [ -0.0002919000000000, -0.0007970300000000, 0.0019737400000000 ] - [ 0.0004589800000000, -0.0002685200000000, -0.0006766500000000 ] - [ -0.0026384600000000, -0.0025254500000000, 0.0011099700000000 ] - [ 0.0004807000000000, 0.0010583700000000, 0.0004709400000000 ] - [ 0.0000252200000000, -0.0002584300000000, 0.0003189700000000 ] - [ -0.0012046100000000, 0.0002927200000000, 0.0003321800000000 ] - [ -0.0041807300000000, 0.0030522500000000, 0.0019172500000000 ] - [ -0.0001427900000000, -0.0001237600000000, 0.0005997900000000 ] - [ -0.0009376500000000, 0.0005058500000000, 0.0009811200000000 ] - [ 0.0008070900000000, 0.0014503600000000, -0.0003918400000000 ] - [ -0.0006331800000000, -0.0009899400000000, 0.0046812800000000 ] - [ 0.0000682700000000, 0.0000231700000000, 0.0003382100000000 ] - [ -0.0007349100000000, -0.0018180300000000, 0.0013910900000000 ] - [ -0.0002890400000000, 0.0005664900000000, -0.0000837600000000 ] - [ 0.0000944900000000, -0.0001658300000000, -0.0001750700000000 ] - [ -0.0001756800000000, 0.0000394500000000, 0.0001909600000000 ] - [ -0.0001886900000000, 0.0006940800000000, 0.0020463000000000 ] - [ -0.0001535200000000, 0.0008923100000000, 0.0019243100000000 ] - [ -0.0007344100000000, 0.0005035400000000, -0.0002925000000000 ] - [ 0.0001690200000000, 0.0001823600000000, 0.0017739500000000 ] - [ 0.0001709600000000, 0.0002775800000000, -0.0002123800000000 ] - [ -0.0000970900000000, 0.0009098800000000, 0.0015352900000000 ] - [ -0.0000412200000000, 0.0000990700000000, -0.0013658200000000 ] - [ -0.0005840000000000, 0.0003846100000000, -0.0018160700000000 ] - [ -0.0003037900000000, -0.0003539700000000, 0.0009595200000000 ] - [ 0.0002226700000000, -0.0002610400000000, 0.0007466500000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003200900000000, -0.0003088900000000, 0.0011980300000000 ] - [ -0.0004610500000000, 0.0000134900000000, 0.0000241000000000 ] - [ -0.0002280200000000, 0.0008143600000000, -0.0002324000000000 ] - [ -0.0001352200000000, 0.0000541200000000, 0.0004494400000000 ] - [ -0.0006698800000000, 0.0000970200000000, -0.0018475500000000 ] - [ 0.0001448800000000, 0.0003392700000000, -0.0001295500000000 ] - [ -0.0004429000000000, -0.0000751700000000, 0.0014411400000000 ] - [ 0.0001114100000000, 0.0003932000000000, 0.0003664400000000 ] - [ -0.0000272400000000, 0.0000912800000000, 0.0004182700000000 ] - [ -0.0001244500000000, 0.0000609600000000, -0.0004542700000000 ] - [ 0.0019019700000000, -0.0005407400000000, -0.0008273200000000 ] - [ 0.0016429600000000, 0.0011643600000000, -0.0023663400000000 ] - [ -0.0002134000000000, -0.0003145000000000, -0.0004035800000000 ] - [ 0.0000247000000000, -0.0001343400000000, 0.0002128400000000 ] - [ 0.0002348600000000, -0.0002135400000000, 0.0002478300000000 ] - [ 0.0003267700000000, -0.0002240400000000, 0.0004677000000000 ] - [ 0.0001357400000000, 0.0001015500000000, 0.0002559300000000 ] - [ -0.0002123700000000, -0.0001844400000000, 0.0000131400000000 ] - [ 0.0000087400000000, 0.0001565600000000, 0.0006022400000000 ] - [ 0.0005354700000000, -0.0001512700000000, 0.0002905500000000 ] - [ -0.0003395200000000, 0.0005109100000000, -0.0036655600000000 ] - [ 0.0000971600000000, 0.0000581200000000, -0.0002207000000000 ] - [ 0.0000691300000000, -0.0001204000000000, 0.0004031700000000 ] - [ 0.0000905300000000, 0.0013048100000000, -0.0032796100000000 ] - [ 0.0000599200000000, -0.0007579100000000, -0.0004219400000000 ] - [ -0.0003442800000000, 0.0001073300000000, 0.0005662300000000 ] - [ 0.0000437100000000, 0.0000853000000000, -0.0000180700000000 ] - [ 0.0010468700000000, 0.0010363800000000, 0.0020530800000000 ] - [ 0.0004151800000000, -0.0013634600000000, -0.0017505700000000 ] - [ 0.0001545800000000, -0.0011221600000000, 0.0015505600000000 ] - [ -0.0001028200000000, -0.0000784900000000, 0.0007274800000000 ] - [ 0.0000965300000000, 0.0004098600000000, 0.0013867000000000 ] - [ -0.0002215300000000, 0.0001605000000000, -0.0004034300000000 ] - [ 0.0000529800000000, -0.0003067400000000, -0.0007418400000000 ] - [ -0.0002196300000000, -0.0004794700000000, -0.0010306600000000 ] - [ -0.0000207700000000, -0.0001323900000000, -0.0027955100000000 ] - [ 0.0000543500000000, -0.0005100600000000, 0.0003388200000000 ] - [ 0.0001666600000000, -0.0002509000000000, -0.0003647200000000 ] - [ -0.0000495900000000, -0.0001158800000000, 0.0000637700000000 ] - [ 0.0000389200000000, 0.0001491000000000, 0.0005137200000000 ] - [ 0.0003687900000000, -0.0005529900000000, 0.0006271600000000 ] - [ -0.0055858600000000, -0.0047317700000000, 0.0024071600000000 ] - [ -0.0000965000000000, 0.0007645700000000, 0.0009527300000000 ] - [ -0.0001505900000000, -0.0005383300000000, 0.0005390700000000 ] - [ -0.0023524900000000, 0.0030440100000000, 0.0009853700000000 ] - [ 0.0000315300000000, -0.0003318700000000, -0.0005017200000000 ] - [ 0.0017606000000000, 0.0025999300000000, 0.0029001300000000 ] - [ 0.0005728100000000, 0.0008573000000000, 0.0016207600000000 ] - [ 0.0000223200000000, -0.0004980900000000, -0.0001145600000000 ] - [ -0.0006419000000000, -0.0001856800000000, 0.0023980200000000 ] - [ -0.0017494800000000, -0.0001911300000000, 0.0004111200000000 ] - [ 0.0009005700000000, 0.0003266400000000, -0.0012901600000000 ] - [ 0.0003242000000000, 0.0014495200000000, 0.0004709700000000 ] - [ -0.0000969000000000, 0.0000573600000000, -0.0009321500000000 ] - [ -0.0010774600000000, 0.0007813800000000, -0.0010924600000000 ] - [ -0.0023488600000000, 0.1023118100000000, -0.2466470500000000 ] - [ -0.0090791500000000, -0.0033653100000000, 0.0091257300000000 ] - [ -0.0020874300000000, -0.0004177400000000, 0.0019949800000000 ] - [ 0.0003517500000000, 0.0000638700000000, -0.0014074100000000 ] - [ 0.0006802000000000, -0.0001797500000000, 0.0001898300000000 ] - [ -0.0005333400000000, 0.0002324100000000, 0.0012160500000000 ] - [ 0.0001836300000000, -0.0002994200000000, 0.0009598600000000 ] - [ 0.0004657000000000, 0.0000728200000000, 0.0012998100000000 ] - [ 0.0008374100000000, -0.0011076800000000, -0.0001219100000000 ] - [ -0.0005435100000000, -0.0015801400000000, 0.0001214100000000 ] - [ -0.0003520700000000, 0.0001827500000000, -0.0012354100000000 ] - [ 0.0078227900000000, 0.0124242800000000, -0.0025813300000000 ] - [ 0.0022760300000000, 0.0021655000000000, -0.0009655500000000 ] - [ 0.0001072700000000, -0.0002880300000000, -0.0005902600000000 ] - [ -0.0022399500000000, -0.0022087800000000, -0.0037984000000000 ] - [ -0.0012860100000000, -0.0000597700000000, -0.0015706000000000 ] - [ -0.0002127600000000, 0.0002114700000000, -0.0009545500000000 ] - [ -0.0108966100000000, 0.0122617100000000, -0.0130019700000000 ] - [ -0.0053726600000000, -0.1263437700000000, 0.3007802400000000 ] - [ -0.0003457000000000, 0.0001640900000000, -0.0000034100000000 ] - [ 0.0000790100000000, 0.0002322300000000, -0.0008406900000000 ] - [ 0.0001491500000000, -0.0009334600000000, -0.0005251600000000 ] - [ -0.0005078400000000, 0.0004941000000000, 0.0001778300000000 ] - [ -0.0000262600000000, 0.0001972300000000, -0.0009601000000000 ] - [ -0.0000400700000000, 0.0003853500000000, 0.0001782500000000 ] - [ 0.0136847900000000, 0.0008470200000000, -0.0284984200000000 ] - [ -0.0001859500000000, 0.0001568300000000, -0.0004941300000000 ] - [ -0.0004829300000000, 0.0008644300000000, 0.0012247500000000 ] - [ 0.0005865000000000, 0.0010256500000000, -0.0008709400000000 ] - [ 0.0004441700000000, 0.0000058400000000, -0.0003357800000000 ] - [ -0.0000736100000000, 0.0001405900000000, 0.0011308100000000 ] - [ -0.0000113400000000, -0.0001435900000000, 0.0007877900000000 ] - [ 0.0002262600000000, 0.0005101100000000, -0.0015190100000000 ] - [ -0.0001926500000000, 0.0001259000000000, -0.0004691300000000 ] - [ 0.0005160900000000, 0.0000029300000000, 0.0006579500000000 ] - [ 0.0018073900000000, -0.0006474400000000, 0.0002985900000000 ] - [ 0.0001368900000000, -0.0002036700000000, 0.0002077800000000 ] - [ 0.0002392200000000, -0.0001127100000000, -0.0003669200000000 ] - [ -0.0005372600000000, 0.0004115800000000, -0.0004721800000000 ] - [ -0.0002967300000000, -0.0002026900000000, 0.0000942400000000 ] - [ 0.0000859000000000, 0.0001913200000000, -0.0003963600000000 ] - [ -0.0000326500000000, 0.0001240100000000, 0.0002681500000000 ] - [ 0.0000283600000000, 0.0003222000000000, -0.0000871300000000 ] - [ 0.0020682000000000, 0.0011716000000000, 0.0014433000000000 ] - [ -0.0005235400000000, -0.0005887100000000, -0.0000385400000000 ] - [ -0.0000370100000000, 0.0004178800000000, 0.0001701100000000 ] - [ -0.0002517700000000, 0.0000929500000000, 0.0003126600000000 ] - [ -0.0010244700000000, 0.0001469100000000, 0.0008065200000000 ] - [ -0.0004270900000000, 0.0007360400000000, 0.0003501400000000 ] - [ 0.0000544400000000, 0.0000525600000000, -0.0006788600000000 ] - [ 0.0002652500000000, -0.0000780400000000, -0.0002748700000000 ] - [ 0.0005916400000000, 0.0008359400000000, -0.0021462000000000 ] - [ -0.0001628900000000, 0.0000001500000000, 0.0009007500000000 ] - [ 0.0028273800000000, 0.0023325300000000, -0.0010872600000000 ] - [ -0.0002970400000000, -0.0008288000000000, -0.0004652000000000 ] - [ 0.0001322200000000, -0.0002750900000000, -0.0000519400000000 ] - [ 0.0011991000000000, -0.0002911400000000, -0.0003371000000000 ] - [ 0.0042119500000000, -0.0030686200000000, -0.0019279300000000 ] - [ 0.0004401500000000, 0.0003999400000000, -0.0003836100000000 ] - [ 0.0009009500000000, -0.0005540400000000, -0.0010639200000000 ] - [ -0.0006508800000000, -0.0009191100000000, 0.0001337200000000 ] - [ 0.0008420300000000, 0.0011715100000000, -0.0050158700000000 ] - [ -0.0002766400000000, 0.0001431200000000, -0.0000325300000000 ] - [ 0.0005732000000000, 0.0023431300000000, -0.0016416400000000 ] - [ 0.0001322400000000, -0.0000350100000000, 0.0003458800000000 ] - [ 0.0002074200000000, 0.0001203800000000, 0.0003536900000000 ] - [ 0.0000603700000000, -0.0001227000000000, -0.0008232100000000 ] - [ 0.0000781200000000, -0.0004738700000000, -0.0015550800000000 ] - [ 0.0002689700000000, -0.0009692400000000, -0.0012893900000000 ] - [ 0.0005296700000000, -0.0006720500000000, 0.0006071700000000 ] - [ -0.0000601400000000, 0.0000409600000000, -0.0012831000000000 ] - [ -0.0002838600000000, -0.0001902100000000, 0.0008457200000000 ] - [ -0.0002067400000000, -0.0008604800000000, -0.0017120100000000 ] - [ 0.0001546200000000, -0.0000193900000000, 0.0007308700000000 ] - [ 0.0002885900000000, -0.0006616700000000, 0.0015919600000000 ] - [ 0.0001837600000000, 0.0002682400000000, -0.0003266400000000 ] - [ -0.0003822300000000, -0.0002742800000000, -0.0004768600000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002496000000000, 0.0001442500000000, 0.0000265700000000 ] - [ 0.0000202600000000, 0.0001602500000000, 0.0001196800000000 ] - [ -0.0007034900000000, -0.0005355000000000, 0.0000872200000000 ] - [ -0.0004265400000000, 0.0000219400000000, 0.0000437000000000 ] - [ 0.0006233600000000, -0.0000162000000000, 0.0001330300000000 ] - [ -0.0000941300000000, 0.0000386800000000, 0.0000903500000000 ] - [ -0.0002438100000000, 0.0000762100000000, -0.0000654000000000 ] - [ 0.0001487000000000, -0.0000514500000000, -0.0000861500000000 ] - [ 0.0008633100000000, 0.0006049500000000, -0.0005024300000000 ] - [ 0.0014122700000000, -0.0001686400000000, -0.0001485800000000 ] - [ -0.0002217800000000, 0.0000567300000000, -0.0000293500000000 ] - [ 0.0003969200000000, -0.0000503500000000, 0.0000243600000000 ] - [ -0.0016880600000000, -0.0002390900000000, -0.0002259900000000 ] - [ -0.0013450000000000, -0.0009088900000000, -0.0007838400000000 ] - [ 0.0000190800000000, -0.0004895600000000, 0.0009779900000000 ] - [ 0.0027038200000000, -0.0002081500000000, 0.0007369800000000 ] - [ 0.0001084800000000, 0.0003036400000000, -0.0000214600000000 ] - [ 0.0002226200000000, 0.0002811700000000, 0.0002540600000000 ] - [ -0.0001900300000000, 0.0001196500000000, -0.0000050000000000 ] - [ 0.0001038200000000, -0.0005575100000000, -0.0003179600000000 ] - [ -0.0005086400000000, 0.0000362700000000, -0.0001432400000000 ] - [ -0.0006865300000000, -0.0008061900000000, 0.0006260100000000 ] - [ -0.0003017200000000, -0.0002559900000000, -0.0004207800000000 ] - [ -0.0004050700000000, 0.0005600400000000, -0.0010351600000000 ] - [ 0.0046075300000000, -0.0009689300000000, 0.0009626000000000 ] - [ -0.0003013200000000, 0.0001040600000000, -0.0001115100000000 ] - [ -0.0001707200000000, -0.0001459000000000, 0.0006104700000000 ] - [ -0.0001248800000000, -0.0000190000000000, 0.0000150900000000 ] - [ -0.0003451500000000, -0.0001801100000000, -0.0002579000000000 ] - [ -0.0001482500000000, -0.0000502300000000, -0.0000971900000000 ] - [ -0.0000780300000000, -0.0000387200000000, 0.0000882000000000 ] - [ 0.0003722900000000, 0.0002640500000000, 0.0001124400000000 ] - [ 0.0000172000000000, 0.0011769800000000, 0.0005721700000000 ] - [ 0.0014325700000000, -0.0016392900000000, -0.0013158300000000 ] - [ 0.0001986100000000, 0.0014738800000000, 0.0002864400000000 ] - [ -0.0002737800000000, 0.0000659400000000, -0.0000900600000000 ] - [ 0.0001804200000000, -0.0001900500000000, -0.0000918400000000 ] - [ -0.0007299900000000, 0.0000817300000000, 0.0002422400000000 ] - [ -0.0015904700000000, 0.0003694100000000, -0.0003754300000000 ] - [ -0.0003025300000000, -0.0000007500000000, 0.0001241500000000 ] - [ -0.0006938400000000, 0.0001375800000000, 0.0003760500000000 ] - [ 0.0003924900000000, -0.0001264500000000, -0.0002481100000000 ] - [ 0.0007035000000000, 0.0000439900000000, 0.0002495100000000 ] - [ -0.0018815900000000, 0.0007233700000000, 0.0008263500000000 ] - [ 0.0005606000000000, 0.0000148300000000, 0.0003279900000000 ] - [ -0.0072777700000000, 0.0001963800000000, 0.0051046700000000 ] - [ 0.0004718600000000, -0.0000333100000000, 0.0002806400000000 ] - [ -0.0001421200000000, -0.0005144100000000, 0.0004001700000000 ] - [ -0.0007912500000000, -0.0003505500000000, -0.0006318300000000 ] - [ -0.0016429300000000, 0.0003957200000000, 0.0006752500000000 ] - [ -0.0009626900000000, 0.0002396100000000, 0.0000523900000000 ] - [ -0.0011728300000000, 0.0000611500000000, -0.0004410400000000 ] - [ -0.0004140500000000, -0.0016522100000000, 0.0003958800000000 ] - [ -0.0010013700000000, 0.0003893200000000, -0.0020228700000000 ] - [ -0.0009526000000000, 0.0001298600000000, 0.0005445400000000 ] - [ 0.0001125900000000, 0.0003813300000000, -0.0005113800000000 ] - [ 0.0003453800000000, -0.0001578500000000, -0.0005641800000000 ] - [ -0.0016723700000000, 0.0007446300000000, 0.0006211500000000 ] - [ 0.0000722900000000, 0.0000777500000000, 0.0003019200000000 ] - [ 0.0884378300000000, -0.0700917400000000, 0.0284045900000000 ] - [ -0.0000206700000000, -0.0001030700000000, -0.0001662900000000 ] - [ -0.0000618000000000, 0.0004195000000000, -0.0005429400000000 ] - [ -0.0004510800000000, 0.0004759800000000, 0.0001489600000000 ] - [ 0.0503655700000000, 0.0281137500000000, -0.0196258300000000 ] - [ 0.0000298200000000, 0.0006328800000000, -0.0002964600000000 ] - [ 0.0001498800000000, 0.0000095700000000, -0.0001587600000000 ] - [ -0.0001908100000000, -0.0001455100000000, 0.0004696200000000 ] - [ 0.0014595100000000, -0.0013677200000000, -0.0004203000000000 ] - [ 0.0000850500000000, 0.0006271600000000, -0.0004998000000000 ] - [ -0.0003739200000000, -0.0004719500000000, -0.0003507800000000 ] - [ -0.0006866300000000, 0.0002767800000000, 0.0000213800000000 ] - [ 0.0003955700000000, -0.0004128500000000, -0.0001100400000000 ] - [ 0.0000543100000000, -0.0001289400000000, 0.0000526800000000 ] - [ 0.0001953300000000, -0.0005501600000000, 0.0004983000000000 ] - [ -0.1512745300000000, 0.0529599900000000, -0.0070569000000000 ] - [ 0.0003411100000000, -0.0005558200000000, 0.0004380100000000 ] - [ -0.0003926200000000, 0.0002362100000000, -0.0000189200000000 ] - [ 0.0070878600000000, 0.0061974300000000, -0.0153083600000000 ] - [ -0.0001894300000000, 0.0001975900000000, 0.0001453400000000 ] - [ 0.0006406900000000, 0.0002182200000000, 0.0008499500000000 ] - [ -0.0001195300000000, -0.0002047900000000, 0.0003260700000000 ] - [ 0.0002986000000000, -0.0000750600000000, 0.0002164900000000 ] - [ -0.0044766700000000, -0.0114344100000000, 0.0091108700000000 ] - [ 0.0008943300000000, 0.0000917000000000, -0.0002113900000000 ] - [ 0.0005253700000000, -0.0000161300000000, 0.0001822200000000 ] - [ 0.0009765100000000, 0.0006814600000000, 0.0019578600000000 ] - [ -0.0000330100000000, 0.0000025200000000, -0.0004500600000000 ] - [ 0.0005674200000000, -0.0002746400000000, -0.0000802900000000 ] - [ 0.0001530100000000, 0.0001447400000000, -0.0001343300000000 ] - [ 0.0004053500000000, 0.0002246500000000, 0.0001439900000000 ] - [ 0.0005015000000000, -0.0003891400000000, 0.0000496300000000 ] - [ 0.0000653600000000, -0.0000399900000000, 0.0008166900000000 ] - [ 0.0022464200000000, 0.0001072000000000, -0.0013659200000000 ] - [ 0.0003575000000000, 0.0000180400000000, -0.0000474600000000 ] - [ 0.0004376800000000, -0.0000819500000000, 0.0000804500000000 ] - [ -0.0002335600000000, -0.0002463300000000, 0.0003063900000000 ] - [ 0.0008260600000000, -0.0011159500000000, -0.0029791700000000 ] - [ 0.0005500800000000, 0.0003461900000000, 0.0000269600000000 ] - [ -0.0008531300000000, -0.0001465800000000, 0.0000474000000000 ] - [ -0.0058169300000000, 0.0075069800000000, -0.0023156300000000 ] - [ 0.0003773900000000, -0.0002313600000000, -0.0000671200000000 ] - [ 0.0100276200000000, -0.0134223900000000, -0.0059870400000000 ] - [ -0.0003438800000000, -0.0000818800000000, -0.0000613000000000 ] - [ -0.0021256700000000, 0.0126194200000000, -0.0015389300000000 ] - [ -0.0005455400000000, 0.0002856800000000, -0.0002887000000000 ] - [ 0.0002956200000000, 0.0001355000000000, 0.0001259700000000 ] - [ 0.0007459800000000, -0.0011341400000000, -0.0017023800000000 ] - [ 0.0010448800000000, -0.0001978000000000, -0.0001198800000000 ] - [ -0.0001250000000000, -0.0001988800000000, 0.0000512300000000 ] - [ -0.0003145000000000, 0.0010400000000000, -0.0004977300000000 ] - [ -0.0003128700000000, -0.0000797200000000, 0.0000173600000000 ] - [ 0.0010473000000000, -0.0008071000000000, -0.0000671100000000 ] - [ -0.0003530700000000, 0.0002133200000000, 0.0000599200000000 ] - [ 0.0015731300000000, 0.0003598000000000, -0.0002365200000000 ] - [ -0.0002183700000000, 0.0000576400000000, 0.0001000100000000 ] - [ 0.0005122500000000, 0.0002322700000000, -0.0000443200000000 ] - [ -0.0000038100000000, -0.0000017600000000, -0.0001352800000000 ] - [ 0.0035292300000000, -0.0099602700000000, 0.0129257000000000 ] - [ -0.0002954100000000, 0.0003444500000000, -0.0000546100000000 ] - [ 0.0005958500000000, -0.0004115500000000, -0.0000161400000000 ] - [ 0.0033035800000000, 0.0005850100000000, -0.0001373600000000 ] - [ -0.0004560800000000, 0.0001624400000000, -0.0002799900000000 ] - [ 0.0003197600000000, -0.0002222600000000, -0.0003796800000000 ] - [ -0.0001130300000000, 0.0001741700000000, 0.0001350800000000 ] - [ -0.0005118200000000, 0.0001914400000000, -0.0000272500000000 ] - [ 0.0000461400000000, 0.0002819100000000, 0.0000057900000000 ] - [ 0.0008127500000000, -0.0003703600000000, 0.0009141400000000 ] - [ 0.0001412900000000, 0.0002001500000000, -0.0002437200000000 ] - [ 0.0003856900000000, -0.0001317300000000, -0.0003431000000000 ] - [ 0.0004990500000000, -0.0000995100000000, -0.0002270300000000 ] - [ 0.0006791000000000, 0.0000423800000000, 0.0000790500000000 ] - [ 0.0000547700000000, -0.0003307300000000, 0.0001409700000000 ]- atom: 75 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002368800000000, -0.0000951600000000, 0.0000896500000000 ] - [ -0.0001684700000000, -0.0000654200000000, 0.0000428900000000 ] - [ 0.0006715700000000, 0.0007544400000000, -0.0000771500000000 ] - [ 0.0002337900000000, 0.0001960800000000, -0.0000716600000000 ] - [ -0.0008144000000000, -0.0001944800000000, -0.0001113400000000 ] - [ 0.0001277800000000, 0.0001747400000000, -0.0001012900000000 ] - [ -0.0000336800000000, -0.0002406100000000, -0.0002398900000000 ] - [ -0.0000022400000000, -0.0000427400000000, -0.0000776600000000 ] - [ -0.0010578500000000, -0.0003872600000000, 0.0005302600000000 ] - [ -0.0014266100000000, 0.0001170400000000, 0.0000244200000000 ] - [ 0.0002353100000000, -0.0001044400000000, -0.0000869400000000 ] - [ -0.0003847600000000, 0.0000038200000000, 0.0000916900000000 ] - [ 0.0016839000000000, 0.0001903300000000, 0.0003462300000000 ] - [ 0.0014947300000000, 0.0008073200000000, 0.0009468400000000 ] - [ 0.0002568200000000, 0.0003274400000000, -0.0012905200000000 ] - [ -0.0027294700000000, 0.0002458700000000, -0.0008534300000000 ] - [ -0.0002558900000000, -0.0003950600000000, 0.0001844500000000 ] - [ -0.0002561800000000, -0.0000682600000000, -0.0002643200000000 ] - [ 0.0003844300000000, 0.0000974400000000, 0.0000316900000000 ] - [ -0.0001356700000000, 0.0003524500000000, 0.0003124900000000 ] - [ 0.0003158100000000, -0.0002540800000000, 0.0001176700000000 ] - [ 0.0009694600000000, 0.0009699700000000, -0.0003254200000000 ] - [ 0.0005785300000000, 0.0000908100000000, 0.0007251400000000 ] - [ 0.0006722400000000, -0.0003981700000000, 0.0007281300000000 ] - [ -0.0049029900000000, 0.0011382800000000, -0.0011517200000000 ] - [ 0.0003150200000000, -0.0000550100000000, -0.0000049000000000 ] - [ 0.0003193200000000, 0.0002386900000000, -0.0004477000000000 ] - [ 0.0000910100000000, -0.0001944700000000, -0.0000053900000000 ] - [ 0.0000678000000000, 0.0003460500000000, -0.0000466600000000 ] - [ -0.0000005400000000, -0.0000428900000000, -0.0000659900000000 ] - [ -0.0001984300000000, -0.0001240800000000, 0.0002178000000000 ] - [ -0.0001819800000000, -0.0000469400000000, -0.0001390900000000 ] - [ -0.0002941800000000, -0.0010106300000000, -0.0002666800000000 ] - [ -0.0012486900000000, 0.0014174200000000, 0.0012845800000000 ] - [ -0.0001725200000000, -0.0012653200000000, -0.0002717500000000 ] - [ 0.0001244700000000, 0.0000283900000000, -0.0000725800000000 ] - [ -0.0001485200000000, -0.0000230600000000, 0.0001017200000000 ] - [ 0.0009234000000000, -0.0002983200000000, -0.0002142900000000 ] - [ 0.0016224300000000, -0.0005828800000000, 0.0003643400000000 ] - [ 0.0002897700000000, 0.0000483900000000, -0.0000087900000000 ] - [ 0.0005964000000000, 0.0002982700000000, 0.0002588500000000 ] - [ -0.0004938900000000, -0.0003522900000000, -0.0001508400000000 ] - [ -0.0006061400000000, 0.0004333000000000, 0.0001495400000000 ] - [ 0.0019891200000000, -0.0002487100000000, -0.0012333400000000 ] - [ -0.0004643000000000, 0.0004197500000000, 0.0003045800000000 ] - [ 0.0069859200000000, -0.0001773600000000, -0.0048108400000000 ] - [ -0.0005763200000000, 0.0005149900000000, -0.0006776500000000 ] - [ 0.0004485600000000, 0.0004538300000000, -0.0006793100000000 ] - [ 0.0008909900000000, -0.0000837300000000, -0.0000038200000000 ] - [ 0.0013346300000000, -0.0004629300000000, -0.0009592800000000 ] - [ 0.0008707900000000, -0.0006747100000000, 0.0005864600000000 ] - [ 0.0012763100000000, -0.0005466200000000, 0.0000427700000000 ] - [ 0.0002834100000000, 0.0020680000000000, -0.0010304600000000 ] - [ 0.0006902000000000, -0.0003313700000000, 0.0017569600000000 ] - [ 0.0008534700000000, -0.0006079500000000, -0.0001440700000000 ] - [ 0.0001942900000000, -0.0003155100000000, 0.0002315800000000 ] - [ -0.0004460800000000, -0.0002733800000000, -0.0000742100000000 ] - [ 0.0017775100000000, -0.0003178900000000, -0.0012635100000000 ] - [ 0.0002400100000000, -0.0000105200000000, -0.0000227200000000 ] - [ -0.0874161100000000, 0.0666728300000000, -0.0265102800000000 ] - [ -0.0002866600000000, 0.0000392700000000, 0.0004483700000000 ] - [ 0.0003706600000000, -0.0004804500000000, 0.0008208000000000 ] - [ 0.0003522000000000, 0.0000072100000000, 0.0002488200000000 ] - [ -0.0506014100000000, -0.0280193800000000, 0.0196764100000000 ] - [ 0.0001828000000000, -0.0008002100000000, -0.0000112700000000 ] - [ -0.0004468400000000, 0.0002655500000000, -0.0000590800000000 ] - [ 0.0003066200000000, 0.0002248900000000, 0.0001622400000000 ] - [ -0.0016749000000000, 0.0012146500000000, 0.0001105300000000 ] - [ -0.0000395800000000, -0.0006714000000000, 0.0005792800000000 ] - [ 0.0002187400000000, -0.0000611100000000, 0.0000845700000000 ] - [ 0.0003920400000000, -0.0000035000000000, 0.0001957000000000 ] - [ -0.0002802100000000, 0.0003307900000000, -0.0005224000000000 ] - [ -0.0003585500000000, 0.0000823100000000, -0.0002337200000000 ] - [ -0.0000851900000000, 0.0003284100000000, -0.0000126100000000 ] - [ 0.1509021700000000, -0.0505884500000000, 0.0063300200000000 ] - [ -0.0002331200000000, 0.0007735100000000, -0.0009210500000000 ] - [ 0.0002122400000000, -0.0000103300000000, 0.0000100800000000 ] - [ -0.0071851700000000, -0.0060410000000000, 0.0144760700000000 ] - [ 0.0000779500000000, 0.0000217200000000, -0.0006337500000000 ] - [ -0.0006826200000000, -0.0001759100000000, -0.0007712300000000 ] - [ 0.0001609800000000, 0.0002468900000000, -0.0002433500000000 ] - [ -0.0002590900000000, 0.0000310700000000, -0.0002987500000000 ] - [ 0.0047959700000000, 0.0111476100000000, -0.0093529300000000 ] - [ -0.0010786400000000, 0.0001358500000000, 0.0002235500000000 ] - [ -0.0003203600000000, 0.0001818900000000, 0.0001237900000000 ] - [ -0.0010872200000000, -0.0009083600000000, -0.0014824400000000 ] - [ 0.0001384300000000, -0.0002258400000000, -0.0000370000000000 ] - [ -0.0006084100000000, 0.0002360500000000, 0.0001651000000000 ] - [ -0.0003627000000000, 0.0000224400000000, -0.0001724300000000 ] - [ -0.0003691200000000, -0.0001833900000000, -0.0002274000000000 ] - [ -0.0003221000000000, 0.0001635400000000, -0.0000597900000000 ] - [ 0.0002445800000000, -0.0000017600000000, -0.0010012700000000 ] - [ -0.0021016600000000, -0.0006460600000000, 0.0011087000000000 ] - [ -0.0001763300000000, 0.0002053200000000, 0.0000372800000000 ] - [ -0.0006177700000000, -0.0001413300000000, -0.0000702000000000 ] - [ -0.0000720000000000, 0.0002911700000000, -0.0001245600000000 ] - [ -0.0009366800000000, 0.0009026400000000, 0.0024892100000000 ] - [ -0.0005514700000000, -0.0003470900000000, -0.0000272900000000 ] - [ 0.0005559000000000, -0.0001304500000000, 0.0001703000000000 ] - [ 0.0058281900000000, -0.0074921100000000, 0.0022899600000000 ] - [ -0.0001712000000000, 0.0000635600000000, 0.0003768000000000 ] - [ -0.0099685600000000, 0.0132315500000000, 0.0057935900000000 ] - [ 0.0000370900000000, 0.0000319400000000, 0.0002434700000000 ] - [ 0.0022311000000000, -0.0120347300000000, 0.0018128900000000 ] - [ 0.0008442400000000, -0.0000074800000000, 0.0000714400000000 ] - [ 0.0000064400000000, -0.0000884800000000, 0.0000550200000000 ] - [ -0.0004371000000000, 0.0011865400000000, 0.0015284400000000 ] - [ -0.0007544400000000, -0.0000744500000000, 0.0003393000000000 ] - [ 0.0003057600000000, -0.0000274800000000, -0.0000406600000000 ] - [ 0.0004977400000000, -0.0008110300000000, 0.0005065200000000 ] - [ 0.0004688600000000, -0.0004511500000000, 0.0002491300000000 ] - [ -0.0010543800000000, 0.0008125600000000, 0.0000678700000000 ] - [ 0.0003543700000000, -0.0002146500000000, -0.0000586400000000 ] - [ -0.0012812400000000, -0.0000821700000000, 0.0004560600000000 ] - [ 0.0001766500000000, -0.0001036400000000, -0.0001811600000000 ] - [ -0.0003562800000000, 0.0003009200000000, -0.0002203000000000 ] - [ 0.0002130700000000, 0.0001675400000000, -0.0001713800000000 ] - [ -0.0036984300000000, 0.0100223400000000, -0.0124292100000000 ] - [ 0.0001382200000000, 0.0001880900000000, -0.0002112800000000 ] - [ -0.0007531500000000, 0.0009425400000000, 0.0002819200000000 ] - [ -0.0030061800000000, -0.0006234400000000, 0.0003156300000000 ] - [ 0.0003387800000000, -0.0002416100000000, -0.0003552300000000 ] - [ -0.0004282800000000, 0.0004453700000000, 0.0008709200000000 ] - [ 0.0002308400000000, -0.0002576000000000, 0.0004956700000000 ] - [ 0.0003022000000000, -0.0003575200000000, 0.0003384100000000 ] - [ 0.0000618500000000, -0.0000625500000000, 0.0004819600000000 ] - [ -0.0009304800000000, 0.0004561400000000, -0.0002859200000000 ] - [ -0.0004454000000000, -0.0001556400000000, 0.0000628000000000 ] - [ -0.0002726600000000, 0.0002100500000000, -0.0002900600000000 ] - [ -0.0007966700000000, -0.0001771300000000, 0.0000082500000000 ] - [ -0.0007961500000000, -0.0001210500000000, 0.0005563500000000 ] - [ -0.0002146700000000, -0.0002056900000000, 0.0001278600000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000511200000000, -0.0003509700000000, 0.0004108800000000 ] - [ -0.0000694300000000, -0.0004239700000000, 0.0002051900000000 ] - [ -0.0006459600000000, 0.0003883300000000, -0.0001619300000000 ] - [ -0.0001459100000000, 0.0002731700000000, 0.0001892700000000 ] - [ -0.0006909500000000, -0.0018343200000000, 0.0013223500000000 ] - [ -0.0001570900000000, -0.0000610900000000, 0.0002604900000000 ] - [ -0.0002065300000000, -0.0006155300000000, -0.0001261600000000 ] - [ 0.0001388100000000, 0.0001900100000000, 0.0001302500000000 ] - [ -0.0000682000000000, -0.0004498500000000, 0.0024387600000000 ] - [ -0.0000989200000000, 0.0014765000000000, 0.0014136400000000 ] - [ 0.0000143300000000, -0.0003086100000000, -0.0000386900000000 ] - [ 0.0002717100000000, -0.0015223500000000, -0.0004318700000000 ] - [ 0.0002271100000000, 0.0004819500000000, -0.0000417900000000 ] - [ -0.0012665200000000, 0.0020260300000000, -0.0010217400000000 ] - [ -0.0003850000000000, 0.0009850500000000, 0.0003870600000000 ] - [ -0.0000377400000000, 0.0041443100000000, -0.0007020300000000 ] - [ 0.0005843800000000, -0.0014838900000000, 0.0001497000000000 ] - [ -0.0000088700000000, 0.0002621800000000, -0.0001506400000000 ] - [ -0.0000598900000000, -0.0000404200000000, -0.0001125700000000 ] - [ -0.0005395000000000, -0.0025237600000000, -0.0013922100000000 ] - [ -0.0000184300000000, -0.0004051400000000, 0.0000045200000000 ] - [ -0.0017572300000000, 0.0000923700000000, 0.0012627800000000 ] - [ 0.0005002800000000, 0.0005053100000000, 0.0008409300000000 ] - [ 0.0020088100000000, -0.0000880100000000, 0.0012129000000000 ] - [ -0.0000910100000000, 0.0027447700000000, -0.0010055400000000 ] - [ -0.0000092400000000, -0.0003618600000000, 0.0000011900000000 ] - [ -0.0001445000000000, 0.0005133200000000, 0.0002821000000000 ] - [ 0.0000460000000000, -0.0003192400000000, 0.0001538400000000 ] - [ -0.0004094100000000, -0.0001204700000000, -0.0004824500000000 ] - [ -0.0001331300000000, -0.0002769600000000, 0.0001049900000000 ] - [ -0.0001462500000000, -0.0006414700000000, 0.0000564100000000 ] - [ 0.0002204900000000, -0.0002845700000000, -0.0002268400000000 ] - [ 0.0004633400000000, -0.0015507500000000, -0.0008167900000000 ] - [ -0.0013429000000000, -0.0001025900000000, -0.0033067400000000 ] - [ 0.0016833800000000, -0.0016780000000000, -0.0009722100000000 ] - [ -0.0003329500000000, -0.0007525600000000, -0.0003170700000000 ] - [ -0.0000247100000000, 0.0001929000000000, 0.0002256300000000 ] - [ 0.0004031000000000, -0.0000054300000000, -0.0002576000000000 ] - [ 0.0017310600000000, -0.0001492800000000, 0.0003534700000000 ] - [ 0.0000036600000000, 0.0002220300000000, 0.0001543600000000 ] - [ 0.0003677800000000, 0.0001632400000000, 0.0005662000000000 ] - [ -0.0005703300000000, -0.0015982300000000, -0.0006373600000000 ] - [ 0.0003420200000000, 0.0014844200000000, 0.0005999500000000 ] - [ 0.0002548800000000, 0.0013448100000000, -0.0003283700000000 ] - [ 0.0004760800000000, 0.0001393700000000, 0.0014688200000000 ] - [ 0.0019335900000000, 0.0179756500000000, -0.0102680500000000 ] - [ -0.0007938100000000, -0.0041367200000000, 0.0013348000000000 ] - [ -0.0016286700000000, -0.0019649400000000, 0.0021768200000000 ] - [ 0.0000296000000000, 0.0004092500000000, -0.0000428500000000 ] - [ 0.0009852800000000, 0.0001909800000000, -0.0007414300000000 ] - [ -0.0009499900000000, -0.0014664400000000, -0.0000762100000000 ] - [ 0.0001716100000000, 0.0005079900000000, 0.0000964400000000 ] - [ -0.0133066400000000, -0.0132763900000000, 0.0021819000000000 ] - [ 0.0001074900000000, 0.0014438100000000, -0.0007844700000000 ] - [ 0.0001566800000000, -0.0017897800000000, -0.0004147700000000 ] - [ 0.0001710000000000, -0.0015267900000000, 0.0002857200000000 ] - [ -0.0000039400000000, -0.0014129000000000, 0.0003364300000000 ] - [ 0.0005593100000000, 0.0003595600000000, -0.0008652300000000 ] - [ -0.0004846900000000, -0.0018230900000000, 0.0002553400000000 ] - [ -0.0621180500000000, 0.1207058700000000, -0.0379852600000000 ] - [ -0.0003594200000000, 0.0006586100000000, -0.0004599900000000 ] - [ 0.0006634400000000, -0.0007205300000000, 0.0011842900000000 ] - [ 0.0000963000000000, -0.0003711500000000, 0.0005567400000000 ] - [ 0.0249807100000000, 0.0974869500000000, -0.0386652800000000 ] - [ 0.0033190500000000, 0.0028968200000000, 0.0013912900000000 ] - [ -0.0001771800000000, 0.0004903800000000, -0.0002094500000000 ] - [ 0.0005603500000000, 0.0010760000000000, 0.0003415700000000 ] - [ -0.0008086200000000, -0.0002699900000000, 0.0001193700000000 ] - [ 0.0037463600000000, 0.0018646400000000, -0.0032763900000000 ] - [ 0.0003884900000000, 0.0021370400000000, 0.0003980500000000 ] - [ -0.0008281900000000, 0.0018549600000000, -0.0002495800000000 ] - [ -0.0003468000000000, 0.0006299200000000, -0.0006628600000000 ] - [ -0.0003489100000000, 0.0005418900000000, -0.0003292500000000 ] - [ -0.0003831200000000, 0.0012058200000000, -0.0000335200000000 ] - [ 0.0477907200000000, -0.2973719000000000, 0.1196365700000000 ] - [ -0.0005282700000000, 0.0008269200000000, -0.0011591700000000 ] - [ -0.0002120900000000, -0.0004726000000000, -0.0006033600000000 ] - [ 0.0110073600000000, -0.0100812900000000, -0.0078910300000000 ] - [ 0.0004220600000000, 0.0000171500000000, 0.0007027200000000 ] - [ -0.0001801600000000, -0.0003966700000000, 0.0000355000000000 ] - [ -0.0001209600000000, 0.0009002900000000, -0.0003834100000000 ] - [ -0.0002845100000000, -0.0000172500000000, -0.0005104800000000 ] - [ -0.0046594200000000, 0.0153844700000000, -0.0187944400000000 ] - [ -0.0000677800000000, -0.0005223000000000, 0.0003425400000000 ] - [ 0.0006103400000000, 0.0009211700000000, 0.0004178800000000 ] - [ 0.0004370800000000, -0.0012357400000000, 0.0007803600000000 ] - [ 0.0005622000000000, 0.0008066700000000, -0.0003368400000000 ] - [ -0.0003372200000000, 0.0000389900000000, 0.0003376400000000 ] - [ -0.0000648900000000, -0.0002504100000000, -0.0003608200000000 ] - [ 0.0005920100000000, 0.0010909000000000, 0.0000562400000000 ] - [ 0.0003655000000000, 0.0009861900000000, -0.0001210000000000 ] - [ -0.0002278900000000, -0.0013793800000000, -0.0000885700000000 ] - [ -0.0001411000000000, -0.0011623700000000, 0.0000537800000000 ] - [ -0.0000040400000000, 0.0003596200000000, -0.0000672900000000 ] - [ -0.0000601500000000, -0.0007361800000000, -0.0002800600000000 ] - [ -0.0003328400000000, 0.0005230700000000, -0.0004003800000000 ] - [ -0.0003421500000000, -0.0030537000000000, 0.0021873500000000 ] - [ -0.0002412300000000, -0.0003044900000000, -0.0001061100000000 ] - [ 0.0001021200000000, 0.0007877400000000, 0.0008592700000000 ] - [ 0.0068934100000000, 0.0355171700000000, -0.0105120500000000 ] - [ -0.0000477900000000, 0.0000636400000000, 0.0001869600000000 ] - [ -0.0234572100000000, 0.0071454600000000, 0.0117049800000000 ] - [ -0.0000052800000000, 0.0017244000000000, 0.0000255400000000 ] - [ 0.0175626700000000, 0.0227128900000000, -0.0015056400000000 ] - [ -0.0000283300000000, -0.0009285400000000, -0.0004901700000000 ] - [ 0.0004318800000000, -0.0003707800000000, 0.0002343900000000 ] - [ -0.0010039200000000, -0.0001591700000000, 0.0009866100000000 ] - [ 0.0005677300000000, -0.0005761700000000, -0.0002420000000000 ] - [ 0.0001761100000000, 0.0009135900000000, 0.0000947900000000 ] - [ 0.0010143500000000, 0.0070190200000000, -0.0024363300000000 ] - [ 0.0002568600000000, -0.0009788900000000, -0.0002952800000000 ] - [ -0.0000152100000000, 0.0003240100000000, 0.0001582800000000 ] - [ -0.0003352500000000, 0.0005026200000000, -0.0004132500000000 ] - [ -0.0002091200000000, -0.0006571900000000, 0.0001760300000000 ] - [ 0.0000334500000000, 0.0000216000000000, -0.0003113100000000 ] - [ -0.0001572800000000, 0.0000435300000000, -0.0004709000000000 ] - [ 0.0000284600000000, 0.0006050400000000, -0.0004549600000000 ] - [ -0.0110648800000000, -0.0015883500000000, -0.0087965000000000 ] - [ 0.0000502800000000, 0.0006123300000000, -0.0000398600000000 ] - [ -0.0007405700000000, 0.0013610000000000, 0.0005377700000000 ] - [ -0.0009928600000000, -0.0040515300000000, 0.0015228300000000 ] - [ 0.0001527000000000, -0.0008940300000000, 0.0000914500000000 ] - [ -0.0003501900000000, 0.0002959500000000, 0.0005422300000000 ] - [ 0.0002532000000000, 0.0013307800000000, -0.0003246300000000 ] - [ 0.0001328800000000, -0.0001201000000000, -0.0010110600000000 ] - [ 0.0005010700000000, 0.0001728000000000, -0.0007947500000000 ] - [ -0.0001053000000000, -0.0008469700000000, 0.0003502900000000 ] - [ 0.0008122800000000, 0.0006939400000000, -0.0003850200000000 ] - [ 0.0005211000000000, 0.0013809000000000, -0.0000939800000000 ] - [ -0.0000941600000000, 0.0003070700000000, 0.0001590500000000 ] - [ -0.0005147600000000, -0.0007584500000000, 0.0003502800000000 ] - [ -0.0000077400000000, 0.0001653500000000, -0.0001099000000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000629100000000, 0.0003979900000000, -0.0002963700000000 ] - [ -0.0000796500000000, 0.0005166600000000, -0.0000412600000000 ] - [ 0.0006165800000000, -0.0001794900000000, 0.0001730500000000 ] - [ -0.0000453100000000, -0.0000581900000000, -0.0002166200000000 ] - [ 0.0004960300000000, 0.0016173100000000, -0.0012900500000000 ] - [ 0.0001903200000000, 0.0002751300000000, -0.0002701900000000 ] - [ -0.0000687600000000, 0.0004531900000000, -0.0001800000000000 ] - [ 0.0000083200000000, -0.0002833100000000, -0.0002923400000000 ] - [ -0.0001337500000000, 0.0006583700000000, -0.0024153900000000 ] - [ 0.0000796800000000, -0.0015227500000000, -0.0015368200000000 ] - [ -0.0000008300000000, 0.0002595400000000, -0.0000765500000000 ] - [ -0.0002590700000000, 0.0014760100000000, 0.0005518900000000 ] - [ -0.0002407200000000, -0.0005300700000000, 0.0001571700000000 ] - [ 0.0014161200000000, -0.0021086000000000, 0.0011829100000000 ] - [ 0.0006595700000000, -0.0011547600000000, -0.0006905700000000 ] - [ 0.0000260300000000, -0.0040743400000000, 0.0006222000000000 ] - [ -0.0007384600000000, 0.0013881100000000, 0.0000119600000000 ] - [ -0.0000257200000000, -0.0000514700000000, 0.0001399600000000 ] - [ 0.0002522400000000, 0.0002582100000000, 0.0001393300000000 ] - [ 0.0005044200000000, 0.0023065700000000, 0.0013777600000000 ] - [ -0.0001737500000000, 0.0001893000000000, -0.0000316900000000 ] - [ 0.0020319400000000, 0.0000787900000000, -0.0009534800000000 ] - [ -0.0002209800000000, -0.0006688400000000, -0.0005316800000000 ] - [ -0.0017299100000000, 0.0002537300000000, -0.0015163000000000 ] - [ 0.0002661400000000, -0.0026578600000000, 0.0008434300000000 ] - [ 0.0000234900000000, 0.0004088000000000, -0.0001175700000000 ] - [ 0.0002942700000000, -0.0004191700000000, -0.0001218900000000 ] - [ -0.0000791600000000, 0.0001063700000000, -0.0001430200000000 ] - [ 0.0001345100000000, 0.0002824600000000, 0.0001789100000000 ] - [ -0.0000146300000000, 0.0001828000000000, -0.0002682200000000 ] - [ -0.0001315700000000, 0.0004775800000000, 0.0002471800000000 ] - [ -0.0000280700000000, 0.0005039700000000, 0.0001992600000000 ] - [ -0.0007431900000000, 0.0017123500000000, 0.0011252400000000 ] - [ 0.0015373400000000, -0.0001320600000000, 0.0032872400000000 ] - [ -0.0016428900000000, 0.0018878400000000, 0.0009812100000000 ] - [ 0.0001877500000000, 0.0008470300000000, 0.0001550700000000 ] - [ 0.0000570700000000, -0.0004078600000000, -0.0002153600000000 ] - [ -0.0002088300000000, -0.0002138300000000, 0.0002848800000000 ] - [ -0.0016931900000000, -0.0000685400000000, -0.0003667000000000 ] - [ -0.0000164700000000, -0.0001736300000000, -0.0000378400000000 ] - [ -0.0004637000000000, 0.0002687700000000, 0.0000686500000000 ] - [ 0.0004681200000000, 0.0011152200000000, 0.0002418400000000 ] - [ -0.0002430900000000, -0.0010019000000000, -0.0001987400000000 ] - [ -0.0001557800000000, -0.0008591100000000, -0.0000681700000000 ] - [ -0.0003802800000000, 0.0002991500000000, -0.0008326000000000 ] - [ -0.0021972500000000, -0.0179917300000000, 0.0105607700000000 ] - [ 0.0006979000000000, 0.0046306300000000, -0.0017446200000000 ] - [ 0.0019477100000000, 0.0019060600000000, -0.0024692000000000 ] - [ 0.0000692500000000, -0.0008443600000000, -0.0005935900000000 ] - [ -0.0012981400000000, -0.0002518400000000, 0.0004636400000000 ] - [ 0.0008474900000000, 0.0010326200000000, 0.0007120900000000 ] - [ -0.0000680300000000, -0.0009887600000000, -0.0004968000000000 ] - [ 0.0132913800000000, 0.0137724600000000, -0.0028256900000000 ] - [ -0.0004176000000000, -0.0013796600000000, 0.0005028200000000 ] - [ -0.0002562200000000, 0.0013048300000000, 0.0008128000000000 ] - [ 0.0001400200000000, 0.0015898500000000, -0.0005614900000000 ] - [ -0.0000967600000000, 0.0009803800000000, -0.0009698800000000 ] - [ -0.0004641600000000, 0.0000791000000000, 0.0002319500000000 ] - [ 0.0007889000000000, 0.0018844400000000, 0.0000286700000000 ] - [ 0.0672065300000000, -0.1268934500000000, 0.0415579700000000 ] - [ 0.0000521900000000, -0.0007167100000000, 0.0007383100000000 ] - [ -0.0003545800000000, 0.0006529100000000, -0.0009022100000000 ] - [ -0.0001948800000000, 0.0008517000000000, -0.0001591900000000 ] - [ -0.0224602900000000, -0.0930494700000000, 0.0353201300000000 ] - [ -0.0031355100000000, -0.0030765800000000, -0.0017147100000000 ] - [ -0.0001205200000000, -0.0002146500000000, -0.0000076200000000 ] - [ -0.0004453200000000, -0.0009929400000000, 0.0002894000000000 ] - [ 0.0006031000000000, 0.0000954900000000, -0.0004297000000000 ] - [ -0.0037317600000000, -0.0019145800000000, 0.0033808200000000 ] - [ -0.0005494400000000, -0.0026760400000000, -0.0006620000000000 ] - [ 0.0005339900000000, -0.0015840100000000, 0.0004749400000000 ] - [ 0.0004601000000000, -0.0007107400000000, 0.0000281100000000 ] - [ 0.0000424300000000, -0.0005872700000000, 0.0001469800000000 ] - [ 0.0004896100000000, -0.0014256400000000, 0.0005184200000000 ] - [ -0.0557763600000000, 0.2982155300000000, -0.1188142800000000 ] - [ 0.0006352300000000, -0.0006018700000000, 0.0006712600000000 ] - [ 0.0000320700000000, 0.0006931600000000, 0.0005915100000000 ] - [ -0.0112382000000000, 0.0100780400000000, 0.0073552200000000 ] - [ -0.0005323300000000, 0.0001973400000000, -0.0011855100000000 ] - [ 0.0001394000000000, 0.0004416000000000, 0.0000480200000000 ] - [ 0.0001619600000000, -0.0008550800000000, 0.0004639100000000 ] - [ 0.0003239000000000, -0.0000262100000000, 0.0004266400000000 ] - [ 0.0048773000000000, -0.0154878400000000, 0.0182742000000000 ] - [ -0.0001123300000000, 0.0007432600000000, -0.0003303400000000 ] - [ -0.0003993200000000, -0.0007543500000000, -0.0001098600000000 ] - [ -0.0005449000000000, 0.0010192200000000, -0.0002886900000000 ] - [ -0.0004520700000000, -0.0010286800000000, -0.0001538400000000 ] - [ 0.0002975800000000, -0.0000854200000000, -0.0002539100000000 ] - [ -0.0001439600000000, 0.0004176900000000, 0.0000535400000000 ] - [ -0.0005488100000000, -0.0010460400000000, -0.0001400300000000 ] - [ -0.0001865300000000, -0.0012089600000000, 0.0001094700000000 ] - [ 0.0005345400000000, 0.0013342600000000, -0.0000922400000000 ] - [ 0.0003007000000000, 0.0006299300000000, -0.0003231700000000 ] - [ 0.0001825700000000, -0.0001347800000000, 0.0000565400000000 ] - [ -0.0001203300000000, 0.0005119600000000, 0.0002918100000000 ] - [ 0.0000295700000000, -0.0004756900000000, 0.0005805800000000 ] - [ 0.0002287600000000, 0.0028492400000000, -0.0026717300000000 ] - [ 0.0002406500000000, 0.0003047100000000, 0.0001063500000000 ] - [ -0.0003973700000000, -0.0010629800000000, -0.0006431700000000 ] - [ -0.0069295500000000, -0.0361837300000000, 0.0107504700000000 ] - [ 0.0002538500000000, -0.0002299200000000, 0.0001234600000000 ] - [ 0.0236576200000000, -0.0071403300000000, -0.0118666300000000 ] - [ -0.0002955200000000, -0.0017682000000000, 0.0001529000000000 ] - [ -0.0170826900000000, -0.0218349000000000, 0.0017543500000000 ] - [ 0.0003267300000000, 0.0012045500000000, 0.0002701000000000 ] - [ -0.0001282900000000, 0.0004135500000000, -0.0000521200000000 ] - [ 0.0013114900000000, 0.0001972800000000, -0.0011681300000000 ] - [ -0.0002743700000000, 0.0002994200000000, 0.0004616600000000 ] - [ 0.0000041100000000, -0.0011382300000000, -0.0000840500000000 ] - [ -0.0008372400000000, -0.0068425700000000, 0.0024640100000000 ] - [ -0.0001001200000000, 0.0004468600000000, 0.0005600100000000 ] - [ 0.0000177500000000, -0.0003276600000000, -0.0001579000000000 ] - [ 0.0003379900000000, -0.0005061100000000, 0.0004125400000000 ] - [ 0.0005057100000000, 0.0009314600000000, 0.0000398200000000 ] - [ -0.0000745100000000, -0.0000703600000000, 0.0002296700000000 ] - [ 0.0003117600000000, 0.0004861100000000, 0.0002065200000000 ] - [ 0.0001796300000000, -0.0004392200000000, 0.0001465800000000 ] - [ 0.0108435600000000, 0.0018968300000000, 0.0090607300000000 ] - [ -0.0002077700000000, -0.0000783000000000, -0.0002262700000000 ] - [ 0.0005831800000000, -0.0008248500000000, -0.0002712500000000 ] - [ 0.0012891600000000, 0.0040174900000000, -0.0013464800000000 ] - [ -0.0002695400000000, 0.0008072000000000, -0.0007277200000000 ] - [ 0.0002424300000000, -0.0000775800000000, -0.0000542100000000 ] - [ -0.0001427000000000, -0.0014168100000000, 0.0009649700000000 ] - [ -0.0003391500000000, -0.0000515000000000, 0.0013206900000000 ] - [ -0.0003947800000000, 0.0000498900000000, 0.0012898800000000 ] - [ -0.0000108600000000, 0.0009293000000000, 0.0002846100000000 ] - [ -0.0011231600000000, -0.0006505500000000, 0.0002059000000000 ] - [ -0.0004050800000000, -0.0012955200000000, -0.0005403900000000 ] - [ -0.0002040600000000, -0.0005815000000000, -0.0003776700000000 ] - [ 0.0003986500000000, 0.0006728100000000, 0.0002832500000000 ] - [ -0.0001511700000000, -0.0007004600000000, 0.0003775300000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001170900000000, 0.0002276400000000, -0.0003666200000000 ] - [ 0.0000188100000000, 0.0001538700000000, -0.0002099700000000 ] - [ 0.0001525900000000, 0.0000144600000000, 0.0004316700000000 ] - [ -0.0001132400000000, 0.0001304100000000, -0.0002333000000000 ] - [ 0.0004279200000000, 0.0009975600000000, -0.0004002700000000 ] - [ 0.0001160200000000, 0.0002499800000000, -0.0004074500000000 ] - [ -0.0000724200000000, -0.0000248800000000, -0.0001810600000000 ] - [ 0.0001753500000000, -0.0000813400000000, -0.0006858400000000 ] - [ 0.0003253300000000, 0.0014431800000000, -0.0018326900000000 ] - [ -0.0003095400000000, -0.0004055800000000, -0.0028790900000000 ] - [ 0.0000212900000000, 0.0000231200000000, -0.0001630800000000 ] - [ -0.0001004200000000, 0.0003687800000000, 0.0005506300000000 ] - [ 0.0002120600000000, -0.0000504500000000, 0.0004591500000000 ] - [ -0.0010058100000000, -0.0011012800000000, 0.0009666900000000 ] - [ 0.0011205700000000, 0.0000032700000000, -0.0008191700000000 ] - [ 0.0009769700000000, -0.0002515200000000, 0.0020537800000000 ] - [ -0.0003922400000000, 0.0005255900000000, 0.0004111200000000 ] - [ -0.0000136400000000, -0.0001258300000000, -0.0006901800000000 ] - [ -0.0000037400000000, 0.0000123800000000, 0.0000049200000000 ] - [ 0.0000052300000000, -0.0000759000000000, 0.0005982600000000 ] - [ -0.0001505900000000, 0.0000676900000000, 0.0000971500000000 ] - [ 0.0011284500000000, 0.0011115000000000, 0.0001678700000000 ] - [ -0.0004996600000000, -0.0002065500000000, -0.0008601300000000 ] - [ -0.0012619800000000, 0.0004508800000000, -0.0010720400000000 ] - [ 0.0000311400000000, -0.0006486500000000, 0.0018679800000000 ] - [ -0.0000620700000000, 0.0001897100000000, 0.0000236300000000 ] - [ 0.0004121000000000, 0.0000599100000000, -0.0008807600000000 ] - [ -0.0000394800000000, -0.0000403700000000, -0.0002962100000000 ] - [ -0.0002038000000000, -0.0000649300000000, -0.0000625000000000 ] - [ -0.0000824800000000, 0.0000283300000000, -0.0003361700000000 ] - [ -0.0002007500000000, -0.0000508400000000, 0.0000116400000000 ] - [ 0.0002568800000000, -0.0003061200000000, -0.0004678200000000 ] - [ -0.0001116800000000, -0.0003904000000000, 0.0004131900000000 ] - [ -0.0006148700000000, -0.0020653400000000, 0.0002752200000000 ] - [ -0.0003989500000000, 0.0005717200000000, 0.0013092900000000 ] - [ 0.0000153000000000, 0.0003043300000000, 0.0001871800000000 ] - [ 0.0000655200000000, -0.0001664200000000, -0.0006276100000000 ] - [ 0.0004294800000000, -0.0004257800000000, -0.0000657000000000 ] - [ -0.0010819500000000, 0.0003536800000000, 0.0011739600000000 ] - [ -0.0000727000000000, -0.0000279100000000, -0.0002960800000000 ] - [ -0.0002483600000000, 0.0001733700000000, -0.0006557700000000 ] - [ -0.0002959700000000, -0.0002380000000000, -0.0006020300000000 ] - [ -0.0000963200000000, 0.0000053700000000, -0.0025323000000000 ] - [ -0.0001082800000000, -0.0000310700000000, 0.0004889000000000 ] - [ -0.0002245800000000, 0.0002174800000000, -0.0017814900000000 ] - [ 0.0074400300000000, -0.0098940200000000, 0.0020813700000000 ] - [ 0.0004608300000000, 0.0016633100000000, -0.0004012500000000 ] - [ 0.0010380200000000, 0.0008341100000000, -0.0009150100000000 ] - [ 0.0000062500000000, -0.0004601400000000, -0.0012731800000000 ] - [ 0.0010426300000000, -0.0006263700000000, -0.0004220100000000 ] - [ 0.0001179000000000, -0.0000098400000000, 0.0010894500000000 ] - [ -0.0000421800000000, -0.0003543100000000, -0.0008737500000000 ] - [ 0.0052103500000000, 0.0053788200000000, -0.0004018200000000 ] - [ -0.0012094900000000, -0.0005659900000000, -0.0002224300000000 ] - [ -0.0000547000000000, 0.0000648200000000, 0.0008136500000000 ] - [ -0.0000319400000000, 0.0005910100000000, -0.0004621600000000 ] - [ -0.0001472500000000, 0.0001335600000000, -0.0012835100000000 ] - [ -0.0001527800000000, 0.0000853200000000, 0.0007916500000000 ] - [ 0.0003730200000000, 0.0004504100000000, 0.0006366600000000 ] - [ 0.0264214400000000, -0.0365429400000000, 0.0534422800000000 ] - [ -0.0008585300000000, -0.0010959500000000, -0.0011795500000000 ] - [ -0.0002495100000000, 0.0005127800000000, -0.0011310400000000 ] - [ -0.0002404700000000, 0.0004375100000000, -0.0003497400000000 ] - [ -0.0151294000000000, -0.0379704200000000, 0.0577100000000000 ] - [ -0.0011938900000000, -0.0009304300000000, -0.0017600500000000 ] - [ -0.0001264300000000, 0.0000773400000000, 0.0001117300000000 ] - [ 0.0000151500000000, -0.0001748000000000, 0.0003528500000000 ] - [ 0.0002485700000000, -0.0001061200000000, -0.0008026400000000 ] - [ -0.0013402500000000, -0.0010769300000000, 0.0007899000000000 ] - [ -0.0004075300000000, -0.0010614400000000, -0.0006341800000000 ] - [ -0.0000962500000000, -0.0002446500000000, 0.0001889600000000 ] - [ 0.0004764300000000, -0.0005169900000000, 0.0000970100000000 ] - [ 0.0000350900000000, -0.0001983700000000, 0.0001468200000000 ] - [ 0.0003695500000000, -0.0007884600000000, 0.0002400700000000 ] - [ -0.0076060900000000, 0.1181858200000000, -0.1302509200000000 ] - [ 0.0006924600000000, -0.0008693200000000, 0.0006342500000000 ] - [ -0.0001050500000000, 0.0007107200000000, 0.0013576100000000 ] - [ -0.0221728300000000, -0.0039247400000000, 0.0143381400000000 ] - [ 0.0005652400000000, 0.0006900400000000, 0.0002249300000000 ] - [ 0.0003723100000000, 0.0003176800000000, 0.0005748400000000 ] - [ 0.0000549800000000, -0.0004155000000000, 0.0005411100000000 ] - [ 0.0003749400000000, -0.0000790500000000, 0.0007885800000000 ] - [ 0.0035084400000000, -0.0180026700000000, 0.0075752100000000 ] - [ 0.0001265500000000, 0.0004491800000000, -0.0005388100000000 ] - [ 0.0001842800000000, -0.0000591000000000, -0.0002211200000000 ] - [ 0.0005152900000000, 0.0002001500000000, -0.0000608900000000 ] - [ -0.0002246600000000, -0.0006227000000000, -0.0003300600000000 ] - [ -0.0004343200000000, 0.0002808200000000, -0.0005240100000000 ] - [ -0.0002000200000000, 0.0001404400000000, 0.0004365600000000 ] - [ -0.0002008500000000, -0.0002837100000000, -0.0005942400000000 ] - [ 0.0000349700000000, -0.0002275200000000, -0.0002763000000000 ] - [ 0.0011282600000000, 0.0005153600000000, 0.0005529400000000 ] - [ 0.0002022100000000, -0.0000481800000000, -0.0007636900000000 ] - [ 0.0001327100000000, 0.0001741200000000, 0.0003394200000000 ] - [ -0.0001662100000000, 0.0001738700000000, 0.0004870400000000 ] - [ -0.0000583600000000, -0.0003007400000000, 0.0007965400000000 ] - [ -0.0012981900000000, 0.0023537000000000, 0.0008621500000000 ] - [ 0.0001590500000000, 0.0002157200000000, 0.0003928100000000 ] - [ -0.0000826400000000, 0.0001401300000000, 0.0003401700000000 ] - [ -0.0031450800000000, -0.0148277200000000, -0.0020698400000000 ] - [ -0.0000120100000000, 0.0000311800000000, 0.0006739600000000 ] - [ -0.0068239800000000, 0.0081729800000000, -0.0064065800000000 ] - [ -0.0002030200000000, -0.0003002300000000, -0.0003588000000000 ] - [ -0.0000724300000000, 0.0022984200000000, -0.0080625400000000 ] - [ 0.0000820100000000, 0.0002896000000000, 0.0016324600000000 ] - [ 0.0005419300000000, 0.0002193700000000, 0.0007244300000000 ] - [ -0.0015224500000000, 0.0010872200000000, -0.0000643300000000 ] - [ -0.0001856100000000, -0.0001476300000000, 0.0004606200000000 ] - [ 0.0001366300000000, -0.0002014800000000, 0.0003716300000000 ] - [ -0.0004102200000000, -0.0023347100000000, 0.0005476800000000 ] - [ 0.0002203000000000, -0.0003078200000000, 0.0017327400000000 ] - [ -0.0000041300000000, 0.0000127400000000, -0.0003552600000000 ] - [ 0.0001165800000000, -0.0001050800000000, 0.0006087300000000 ] - [ 0.0006960600000000, 0.0003703700000000, 0.0000051700000000 ] - [ -0.0003017200000000, 0.0002471300000000, 0.0011336700000000 ] - [ 0.0001566300000000, 0.0002260100000000, 0.0004593000000000 ] - [ 0.0001546100000000, -0.0000102800000000, 0.0004491900000000 ] - [ 0.0189975300000000, -0.0128012500000000, 0.0102049900000000 ] - [ 0.0000306800000000, 0.0002540200000000, 0.0002996400000000 ] - [ 0.0000145400000000, -0.0001151600000000, -0.0005388600000000 ] - [ -0.0026584500000000, 0.0011570500000000, -0.0018741100000000 ] - [ 0.0004734600000000, 0.0002818300000000, 0.0014864600000000 ] - [ -0.0003764900000000, 0.0003010900000000, 0.0007117300000000 ] - [ -0.0000800600000000, -0.0005599000000000, 0.0005265800000000 ] - [ -0.0001501600000000, -0.0005205400000000, 0.0016803500000000 ] - [ -0.0002381600000000, -0.0001247500000000, 0.0007627100000000 ] - [ 0.0003522700000000, 0.0001629600000000, 0.0004874400000000 ] - [ -0.0005932300000000, -0.0002481100000000, -0.0001277200000000 ] - [ -0.0002540600000000, -0.0002521200000000, -0.0006202200000000 ] - [ -0.0001323500000000, -0.0001256900000000, -0.0004342700000000 ] - [ -0.0004167100000000, 0.0000815500000000, 0.0002897800000000 ] - [ -0.0001126100000000, -0.0004413900000000, 0.0005140500000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001040800000000, -0.0001792000000000, 0.0004830100000000 ] - [ -0.0001671000000000, -0.0000604100000000, 0.0003715500000000 ] - [ -0.0001858000000000, 0.0001996300000000, -0.0004211800000000 ] - [ -0.0000789900000000, 0.0000872800000000, 0.0002060200000000 ] - [ -0.0006225500000000, -0.0012136600000000, 0.0004224300000000 ] - [ -0.0000828800000000, -0.0000375800000000, 0.0003959400000000 ] - [ -0.0002041400000000, -0.0001402000000000, -0.0001241600000000 ] - [ -0.0000261100000000, -0.0000126300000000, 0.0005218000000000 ] - [ -0.0005192900000000, -0.0012214300000000, 0.0018600700000000 ] - [ 0.0002945600000000, 0.0003555800000000, 0.0027725600000000 ] - [ -0.0000070400000000, -0.0000717300000000, 0.0000458200000000 ] - [ 0.0001121000000000, -0.0004172400000000, -0.0004356800000000 ] - [ -0.0002238400000000, 0.0000020100000000, -0.0003430200000000 ] - [ 0.0011585300000000, 0.0010038700000000, -0.0007957500000000 ] - [ -0.0008382000000000, -0.0001635200000000, 0.0005098800000000 ] - [ -0.0009728900000000, 0.0004118300000000, -0.0019688500000000 ] - [ 0.0002451100000000, -0.0006187000000000, -0.0002463500000000 ] - [ -0.0000206300000000, 0.0003397800000000, 0.0006778400000000 ] - [ 0.0001972800000000, 0.0002038600000000, 0.0000228500000000 ] - [ -0.0000380400000000, -0.0001321000000000, -0.0006017400000000 ] - [ -0.0000414400000000, -0.0002848200000000, -0.0001249200000000 ] - [ -0.0008481600000000, -0.0009501700000000, 0.0001316600000000 ] - [ 0.0007750800000000, 0.0000435100000000, 0.0011646900000000 ] - [ 0.0015392000000000, -0.0002878600000000, 0.0007670300000000 ] - [ 0.0001443100000000, 0.0007396100000000, -0.0020248500000000 ] - [ 0.0000762100000000, -0.0001410300000000, -0.0001391300000000 ] - [ -0.0002653300000000, 0.0000345900000000, 0.0010432300000000 ] - [ 0.0000065400000000, -0.0001734300000000, 0.0003059100000000 ] - [ -0.0000719200000000, 0.0002294800000000, -0.0002433600000000 ] - [ -0.0000654600000000, -0.0001219800000000, 0.0001729000000000 ] - [ -0.0000756700000000, -0.0001139900000000, 0.0002946400000000 ] - [ -0.0000632000000000, 0.0005182100000000, 0.0004387400000000 ] - [ -0.0001642900000000, 0.0005481100000000, -0.0001120600000000 ] - [ 0.0008001800000000, 0.0018462400000000, -0.0003184100000000 ] - [ 0.0004288200000000, -0.0003597700000000, -0.0012982400000000 ] - [ -0.0001634200000000, -0.0002110200000000, -0.0003503300000000 ] - [ -0.0000320000000000, -0.0000453300000000, 0.0006371700000000 ] - [ -0.0002342200000000, 0.0002090600000000, 0.0000913100000000 ] - [ 0.0011207700000000, -0.0005667000000000, -0.0011793600000000 ] - [ 0.0000598600000000, 0.0000761500000000, 0.0004118200000000 ] - [ 0.0001522700000000, 0.0002623400000000, 0.0012881600000000 ] - [ 0.0001933500000000, -0.0002438500000000, 0.0002010100000000 ] - [ 0.0001953200000000, 0.0004780700000000, 0.0029224800000000 ] - [ 0.0002109400000000, 0.0005130400000000, -0.0008852000000000 ] - [ 0.0003214200000000, 0.0002135900000000, 0.0024127500000000 ] - [ -0.0077209500000000, 0.0100467100000000, -0.0018689100000000 ] - [ -0.0005649300000000, -0.0011845000000000, 0.0000052700000000 ] - [ -0.0007309200000000, -0.0008965600000000, 0.0006379100000000 ] - [ 0.0000936400000000, 0.0000269900000000, 0.0006362300000000 ] - [ -0.0013436200000000, 0.0005605900000000, 0.0001399900000000 ] - [ -0.0002113100000000, -0.0004249500000000, -0.0004514900000000 ] - [ 0.0001458900000000, -0.0001282900000000, 0.0004720800000000 ] - [ -0.0053356200000000, -0.0049669300000000, -0.0002331200000000 ] - [ 0.0009044900000000, 0.0006298100000000, -0.0000584400000000 ] - [ -0.0000424700000000, -0.0005462400000000, -0.0004144000000000 ] - [ 0.0003411600000000, -0.0005287800000000, 0.0001818000000000 ] - [ 0.0000485300000000, -0.0005690200000000, 0.0006457600000000 ] - [ 0.0002538600000000, 0.0003472300000000, -0.0014234300000000 ] - [ -0.0000610400000000, -0.0003872800000000, -0.0003602000000000 ] - [ -0.0259855200000000, 0.0354729500000000, -0.0530872700000000 ] - [ 0.0005424300000000, 0.0010268800000000, 0.0014563900000000 ] - [ 0.0005584900000000, -0.0005747600000000, 0.0014101600000000 ] - [ 0.0001414400000000, 0.0000446600000000, 0.0007477700000000 ] - [ 0.0160268300000000, 0.0396570300000000, -0.0580680900000000 ] - [ 0.0014035000000000, 0.0007648600000000, 0.0014507800000000 ] - [ -0.0001697000000000, 0.0001983600000000, -0.0003306800000000 ] - [ 0.0001016400000000, 0.0002564200000000, 0.0002793200000000 ] - [ -0.0004558500000000, -0.0000614100000000, 0.0004906100000000 ] - [ 0.0013873200000000, 0.0010336300000000, -0.0007133100000000 ] - [ 0.0002528100000000, 0.0005304500000000, 0.0003674300000000 ] - [ -0.0001973300000000, 0.0005196900000000, 0.0000265600000000 ] - [ -0.0003605700000000, 0.0004354400000000, -0.0007303500000000 ] - [ -0.0003398900000000, 0.0001530100000000, -0.0003280600000000 ] - [ -0.0002614500000000, 0.0005694900000000, 0.0002466800000000 ] - [ 0.0057600600000000, -0.1201618500000000, 0.1313047900000000 ] - [ -0.0005838300000000, 0.0010866000000000, -0.0011195100000000 ] - [ -0.0000753000000000, -0.0004841900000000, -0.0013655300000000 ] - [ 0.0224178100000000, 0.0041032200000000, -0.0151640500000000 ] - [ -0.0006683100000000, -0.0004658900000000, -0.0007132900000000 ] - [ -0.0004138700000000, -0.0002755300000000, -0.0004922200000000 ] - [ -0.0000145200000000, 0.0004600800000000, -0.0004581200000000 ] - [ -0.0003348500000000, 0.0000345600000000, -0.0008709700000000 ] - [ -0.0032700400000000, 0.0179574200000000, -0.0078819000000000 ] - [ -0.0003085200000000, -0.0002240900000000, 0.0005481600000000 ] - [ 0.0000208300000000, 0.0002258700000000, 0.0005269300000000 ] - [ -0.0006254800000000, -0.0004223900000000, 0.0005500200000000 ] - [ 0.0003320800000000, 0.0004021200000000, -0.0001559700000000 ] - [ 0.0003905200000000, -0.0003204800000000, 0.0006045300000000 ] - [ -0.0000091100000000, 0.0000262100000000, -0.0007443900000000 ] - [ 0.0002378600000000, 0.0003264100000000, 0.0005115900000000 ] - [ 0.0001438000000000, 0.0000035800000000, 0.0002649700000000 ] - [ -0.0008260800000000, -0.0005612600000000, -0.0007354700000000 ] - [ -0.0000458600000000, -0.0004870300000000, 0.0004943300000000 ] - [ 0.0000476900000000, 0.0000498500000000, -0.0003496400000000 ] - [ -0.0000136700000000, -0.0003978200000000, -0.0004758900000000 ] - [ -0.0002455500000000, 0.0003463400000000, -0.0006156000000000 ] - [ 0.0011873600000000, -0.0025861400000000, -0.0013347000000000 ] - [ -0.0001602700000000, -0.0002170900000000, -0.0003926900000000 ] - [ -0.0002104400000000, -0.0004159300000000, -0.0001199200000000 ] - [ 0.0031628000000000, 0.0147910100000000, 0.0019935200000000 ] - [ 0.0002177000000000, -0.0001990100000000, -0.0003616100000000 ] - [ 0.0067144100000000, -0.0080960400000000, 0.0063799100000000 ] - [ -0.0001015100000000, 0.0002530200000000, 0.0005415500000000 ] - [ 0.0001847200000000, -0.0018850100000000, 0.0083585800000000 ] - [ 0.0002141800000000, -0.0000172000000000, -0.0018449500000000 ] - [ -0.0002356500000000, -0.0001725200000000, -0.0005422900000000 ] - [ 0.0018175800000000, -0.0010362200000000, -0.0001173000000000 ] - [ 0.0004780000000000, -0.0001261600000000, -0.0002394800000000 ] - [ 0.0000444700000000, -0.0000217200000000, -0.0003599700000000 ] - [ 0.0005943600000000, 0.0025647400000000, -0.0005388300000000 ] - [ -0.0000613200000000, -0.0002271300000000, -0.0014645000000000 ] - [ 0.0000005800000000, -0.0000101500000000, 0.0003540800000000 ] - [ -0.0001166900000000, 0.0001067800000000, -0.0006075800000000 ] - [ -0.0003994500000000, -0.0000940200000000, 0.0002100800000000 ] - [ 0.0002616500000000, -0.0002903200000000, -0.0012144500000000 ] - [ -0.0000015500000000, 0.0003056600000000, -0.0007234000000000 ] - [ 0.0000532100000000, 0.0001783600000000, -0.0007572700000000 ] - [ -0.0189356700000000, 0.0128391400000000, -0.0097877100000000 ] - [ -0.0001870700000000, 0.0002783000000000, -0.0005648300000000 ] - [ -0.0001742300000000, 0.0006478400000000, 0.0008029400000000 ] - [ 0.0029569300000000, -0.0012190500000000, 0.0020641800000000 ] - [ -0.0005820200000000, -0.0003637400000000, -0.0021113000000000 ] - [ 0.0002662500000000, -0.0000784200000000, -0.0002215000000000 ] - [ 0.0001977300000000, 0.0004774300000000, 0.0001036800000000 ] - [ -0.0000562200000000, 0.0003551800000000, -0.0013693200000000 ] - [ 0.0003463200000000, 0.0003439600000000, -0.0002755800000000 ] - [ -0.0004698400000000, -0.0000804900000000, 0.0001452700000000 ] - [ 0.0002898000000000, 0.0002936100000000, -0.0000547300000000 ] - [ 0.0003671800000000, 0.0003338200000000, -0.0000125200000000 ] - [ -0.0001655000000000, -0.0001497800000000, 0.0002161000000000 ] - [ 0.0002968900000000, -0.0001640700000000, 0.0003418900000000 ] - [ -0.0000463600000000, -0.0000933400000000, -0.0002457700000000 ]- atom: 98 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010180600000000, -0.0000008700000000, 0.0000543100000000 ] - [ -0.0014731100000000, -0.0014055700000000, 0.0004899300000000 ] - [ 0.0003037800000000, 0.0005403400000000, -0.0003115200000000 ] - [ 0.0028136300000000, 0.0019637400000000, 0.0019509900000000 ] - [ -0.0004419900000000, -0.0004258300000000, 0.0000704000000000 ] - [ 0.0003264700000000, -0.0007167800000000, 0.0001163400000000 ] - [ 0.0001430500000000, -0.0002761500000000, -0.0002569300000000 ] - [ -0.0013225900000000, -0.0015003200000000, 0.0003264300000000 ] - [ -0.0011244000000000, 0.0006302000000000, -0.0002782400000000 ] - [ -0.0010325400000000, -0.0000505200000000, -0.0000623100000000 ] - [ 0.0017610200000000, -0.0013040100000000, 0.0008832400000000 ] - [ -0.0003470300000000, -0.0000146600000000, 0.0000888100000000 ] - [ 0.0007120900000000, 0.0000446500000000, -0.0005047100000000 ] - [ 0.0002178600000000, 0.0000224400000000, 0.0000235000000000 ] - [ -0.0005818700000000, 0.0000336900000000, 0.0008748900000000 ] - [ -0.0003605200000000, 0.0000332300000000, -0.0000269100000000 ] - [ -0.0003114100000000, -0.0002728800000000, -0.0002782700000000 ] - [ -0.0029461100000000, 0.0011772100000000, 0.0004388500000000 ] - [ 0.0003635000000000, -0.0004860200000000, -0.0000254800000000 ] - [ -0.0001523500000000, -0.0003441100000000, -0.0000561400000000 ] - [ 0.0001713500000000, -0.0007018600000000, -0.0000516000000000 ] - [ 0.0004174100000000, -0.0001122900000000, 0.0000494700000000 ] - [ 0.0000601700000000, 0.0020092200000000, -0.0010534600000000 ] - [ -0.0003062400000000, -0.0007747300000000, -0.0005202800000000 ] - [ -0.0001630000000000, -0.0001800800000000, -0.0004417000000000 ] - [ 0.0007240700000000, 0.0000938200000000, -0.0006221600000000 ] - [ 0.0002272100000000, 0.0017061800000000, 0.0004931600000000 ] - [ 0.0002952300000000, -0.0009299300000000, 0.0001262700000000 ] - [ -0.0002140000000000, 0.0021795800000000, -0.0013623500000000 ] - [ 0.0000868700000000, 0.0016178200000000, 0.0003321100000000 ] - [ -0.0005839000000000, -0.0009373400000000, -0.0002157500000000 ] - [ -0.0002488900000000, -0.0002093200000000, 0.0000431500000000 ] - [ -0.0008583300000000, 0.0001971500000000, 0.0011784800000000 ] - [ -0.0009328000000000, 0.0004138300000000, -0.0003068000000000 ] - [ -0.0001189100000000, -0.0001310600000000, -0.0000458100000000 ] - [ 0.0000702700000000, 0.0001165500000000, -0.0001397300000000 ] - [ -0.0029211400000000, 0.0009625300000000, 0.0004525200000000 ] - [ 0.0029998400000000, 0.0017456800000000, 0.0019868000000000 ] - [ 0.0003361800000000, 0.0003267800000000, -0.0003204500000000 ] - [ 0.0017502300000000, -0.0012528200000000, 0.0009923500000000 ] - [ 0.1038788100000000, 0.0855770200000000, 0.0090536400000000 ] - [ -0.0019627800000000, 0.0002187000000000, -0.0008652300000000 ] - [ -0.0018614100000000, 0.0006972700000000, -0.0004655800000000 ] - [ 0.0010787400000000, 0.0002983900000000, 0.0003755200000000 ] - [ -0.0006673700000000, -0.0003875200000000, 0.0002958400000000 ] - [ -0.0003998800000000, 0.0010303800000000, 0.0012435200000000 ] - [ -0.0008507300000000, 0.0004885600000000, -0.0003551900000000 ] - [ -0.0000878300000000, 0.0009676200000000, 0.0009649600000000 ] - [ 0.1069703600000000, 0.0903596500000000, 0.0092161200000000 ] - [ -0.0004216100000000, -0.0008056400000000, 0.0005908900000000 ] - [ 0.0005881500000000, -0.0009577500000000, 0.0003543600000000 ] - [ 0.0008204000000000, -0.0049352900000000, -0.0020381500000000 ] - [ -0.0009696600000000, 0.0004956900000000, -0.0004762300000000 ] - [ -0.0058567100000000, -0.0079062800000000, -0.0095148700000000 ] - [ 0.0009767100000000, -0.0001836100000000, 0.0007735900000000 ] - [ 0.0003323600000000, -0.0001317900000000, 0.0000637800000000 ] - [ -0.0007633400000000, -0.0008197700000000, -0.0003395500000000 ] - [ 0.0006858000000000, -0.0005244700000000, -0.0002812300000000 ] - [ -0.0001132800000000, -0.0007392400000000, 0.0008711900000000 ] - [ -0.0008723500000000, 0.0000612400000000, 0.0001605300000000 ] - [ 0.0000202700000000, -0.0001983100000000, 0.0003417600000000 ] - [ -0.0055420900000000, -0.0079433500000000, -0.0092295600000000 ] - [ 0.0006882900000000, -0.0044892500000000, -0.0016861600000000 ] - [ -0.0007501800000000, 0.0000056000000000, 0.0000438000000000 ] - [ 0.0004873400000000, -0.0003991400000000, 0.0001408700000000 ] - [ -0.0018795900000000, 0.0016541600000000, 0.0010505700000000 ] - [ 0.0006272700000000, -0.0000961100000000, 0.0002399300000000 ] - [ -0.0003125900000000, 0.0003051100000000, 0.0000471900000000 ] - [ 0.0004265700000000, -0.0003165700000000, -0.0003425300000000 ] - [ 0.0002003700000000, -0.0001739400000000, -0.0000304700000000 ] - [ 0.0005296600000000, 0.0002447100000000, 0.0004117500000000 ] - [ -0.0007754800000000, 0.0034872600000000, 0.0011756100000000 ] - [ -0.0009843400000000, 0.0000068600000000, -0.0001766500000000 ] - [ 0.0000328500000000, 0.0002135900000000, 0.0002151900000000 ] - [ 0.0004623900000000, -0.0003523700000000, 0.0001534100000000 ] - [ 0.0011257300000000, 0.0000906300000000, 0.0039412200000000 ] - [ 0.0009625100000000, 0.0001297300000000, -0.0000079400000000 ] - [ 0.0005428300000000, -0.0005781800000000, -0.0005137100000000 ] - [ -0.0000748200000000, 0.0004333400000000, -0.0002704100000000 ] - [ 0.0214164100000000, 0.0158728800000000, 0.0228382800000000 ] - [ 0.0002005700000000, 0.0004414900000000, -0.0001151700000000 ] - [ 0.0211955200000000, 0.0156338800000000, 0.0224376100000000 ] - [ 0.0008252000000000, -0.0000296200000000, 0.0001928400000000 ] - [ -0.0004416400000000, 0.0004491900000000, -0.0001107900000000 ] - [ -0.0001048300000000, 0.0004722800000000, 0.0003577800000000 ] - [ 0.0010216000000000, -0.0001259300000000, 0.0044478400000000 ] - [ 0.0001337500000000, 0.0006667100000000, -0.0007703100000000 ] - [ -0.0002937500000000, 0.0004252100000000, -0.0002626800000000 ] - [ 0.0134122100000000, 0.0194584800000000, -0.0100442600000000 ] - [ -0.0002527000000000, 0.0004681500000000, -0.0003455000000000 ] - [ -0.0002627200000000, 0.0002247800000000, -0.0001223000000000 ] - [ 0.0042212200000000, 0.0021331600000000, 0.0012009600000000 ] - [ -0.0003166900000000, -0.0003287800000000, -0.0001399300000000 ] - [ -0.0056889600000000, 0.0071055900000000, 0.0031807100000000 ] - [ -0.0059506800000000, 0.0067138000000000, 0.0031270600000000 ] - [ 0.0039045000000000, 0.0021669300000000, 0.0013815400000000 ] - [ 0.0004392600000000, -0.0013046500000000, -0.0014446900000000 ] - [ -0.2646642100000000, -0.2551833400000000, -0.0450954600000000 ] - [ 0.0014408900000000, -0.0000561900000000, 0.0000454600000000 ] - [ 0.0005428800000000, 0.0000833600000000, 0.0001162700000000 ] - [ 0.0135078500000000, 0.0190390600000000, -0.0095729200000000 ] - [ 0.0003867500000000, -0.0002712000000000, -0.0004253600000000 ] - [ 0.0001763500000000, 0.0002709400000000, -0.0000861600000000 ] - [ 0.0003580400000000, 0.0003592800000000, 0.0002348500000000 ] - [ 0.0017369200000000, 0.0002206700000000, -0.0001740900000000 ] - [ -0.0006780700000000, 0.0000531900000000, 0.0000063700000000 ] - [ 0.0004798300000000, 0.0003170300000000, -0.0002667600000000 ] - [ -0.0015829100000000, 0.0013697400000000, 0.0012582700000000 ] - [ 0.0011411400000000, -0.0000964900000000, 0.0000032400000000 ] - [ 0.0006414300000000, -0.0001291700000000, 0.0001653800000000 ] - [ 0.0014870700000000, -0.0015206500000000, 0.0004738100000000 ] - [ -0.0006833100000000, 0.0007580700000000, -0.0000174500000000 ] - [ 0.0003343300000000, 0.0002426800000000, 0.0000249900000000 ] - [ -0.0010539600000000, -0.0001554800000000, -0.0000859900000000 ] - [ 0.0001607500000000, 0.0003972700000000, -0.0001974000000000 ] - [ 0.0000108700000000, 0.0023136100000000, -0.0000578000000000 ] - [ 0.0004743400000000, 0.0002910100000000, -0.0001297300000000 ] - [ 0.0002798500000000, -0.0002313500000000, 0.0004497000000000 ] - [ 0.0013309500000000, -0.0009908500000000, 0.0002084100000000 ] - [ -0.0004729900000000, 0.0002043900000000, 0.0001257200000000 ] - [ -0.0001914000000000, -0.0006066500000000, -0.0002243100000000 ] - [ 0.0005133200000000, -0.0001768500000000, -0.0003936000000000 ] - [ 0.0000241300000000, 0.0008889100000000, -0.0002804900000000 ] - [ 0.0006568400000000, -0.0006625100000000, 0.0001195600000000 ] - [ 0.0002685200000000, 0.0001246400000000, 0.0001806100000000 ] - [ 0.0005456100000000, -0.0010856900000000, -0.0009591500000000 ] - [ -0.0009121500000000, 0.0035952900000000, 0.0018009000000000 ] - [ -0.0004972100000000, -0.0005612200000000, -0.0004042700000000 ] - [ -0.0001157200000000, 0.0004291100000000, -0.0012068800000000 ] - [ -0.0013519600000000, -0.0004309600000000, -0.0003044700000000 ] - [ -0.0002319600000000, 0.0003464400000000, -0.0005734200000000 ] - [ -0.0001334700000000, 0.0017958700000000, 0.0002100000000000 ]- atom: 98 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005323500000000, 0.0000438300000000, -0.0000499500000000 ] - [ -0.0017321800000000, -0.0012803700000000, 0.0006432900000000 ] - [ 0.0001799800000000, 0.0007086200000000, -0.0002718800000000 ] - [ 0.0014161400000000, 0.0037548200000000, 0.0007223100000000 ] - [ -0.0003417400000000, -0.0006198500000000, 0.0000479100000000 ] - [ 0.0003897200000000, -0.0017219300000000, 0.0003922400000000 ] - [ 0.0004011900000000, -0.0006186200000000, -0.0005821900000000 ] - [ -0.0015851400000000, -0.0013695200000000, 0.0004809500000000 ] - [ -0.0007678200000000, 0.0007711300000000, -0.0001962300000000 ] - [ -0.0005440900000000, -0.0000029200000000, -0.0001664900000000 ] - [ 0.0009560300000000, -0.0022682300000000, 0.0023183400000000 ] - [ -0.0002135200000000, -0.0000672100000000, 0.0001359500000000 ] - [ 0.0004171900000000, 0.0001267200000000, -0.0009850700000000 ] - [ 0.0002209200000000, -0.0000943400000000, 0.0000460400000000 ] - [ -0.0004560600000000, 0.0003085600000000, 0.0008260700000000 ] - [ -0.0002270300000000, -0.0000180500000000, 0.0000199300000000 ] - [ -0.0003300100000000, -0.0001560300000000, -0.0002826000000000 ] - [ -0.0018395300000000, 0.0018160500000000, 0.0001744800000000 ] - [ 0.0001822300000000, -0.0009717100000000, -0.0001133500000000 ] - [ -0.0001327800000000, -0.0004782700000000, -0.0000820000000000 ] - [ -0.0000117100000000, -0.0011898600000000, -0.0001429700000000 ] - [ 0.0006802300000000, -0.0004541600000000, -0.0002795000000000 ] - [ 0.0009416000000000, 0.0014008000000000, 0.0005954600000000 ] - [ -0.0005655600000000, -0.0009043200000000, -0.0006557100000000 ] - [ -0.0001822300000000, -0.0000609400000000, -0.0004451200000000 ] - [ 0.0004308600000000, 0.0001717800000000, -0.0010982600000000 ] - [ 0.0029629200000000, -0.0002221300000000, -0.0000550400000000 ] - [ 0.0003530300000000, -0.0019344100000000, 0.0004031100000000 ] - [ 0.0006674700000000, 0.0015556100000000, 0.0002925000000000 ] - [ 0.0028009500000000, -0.0003204600000000, -0.0002171600000000 ] - [ -0.0008392900000000, -0.0010697200000000, -0.0003491200000000 ] - [ -0.0001493100000000, -0.0004027600000000, 0.0000212300000000 ] - [ -0.0007335700000000, 0.0004709800000000, 0.0011319400000000 ] - [ -0.0005737500000000, 0.0005533500000000, -0.0002227300000000 ] - [ -0.0001000800000000, -0.0002648000000000, -0.0000718000000000 ] - [ 0.0000727300000000, -0.0000021100000000, -0.0001170400000000 ] - [ -0.0017997100000000, 0.0016018700000000, 0.0001827200000000 ] - [ 0.0016065500000000, 0.0035444600000000, 0.0007595800000000 ] - [ 0.0002129200000000, 0.0004960600000000, -0.0002828700000000 ] - [ 0.0009373500000000, -0.0022240100000000, 0.0024483900000000 ] - [ 0.0858883300000000, 0.1273236700000000, 0.0110786900000000 ] - [ -0.0011057000000000, -0.0002054100000000, -0.0004003700000000 ] - [ -0.0010034900000000, 0.0002799900000000, -0.0000022600000000 ] - [ 0.0006216000000000, 0.0003106400000000, 0.0006120500000000 ] - [ -0.0001305300000000, -0.0010413900000000, 0.0005513000000000 ] - [ 0.0000930800000000, 0.0008363700000000, 0.0003378800000000 ] - [ -0.0004442900000000, 0.0003376300000000, -0.0005785900000000 ] - [ 0.0004028100000000, 0.0007691500000000, 0.0000567800000000 ] - [ 0.0922514500000000, 0.1325284100000000, 0.0115737300000000 ] - [ -0.0005337600000000, -0.0010553100000000, 0.0006233300000000 ] - [ 0.0005350000000000, -0.0013038400000000, 0.0001432900000000 ] - [ -0.0045560100000000, -0.0127654100000000, -0.0095924300000000 ] - [ -0.0004385600000000, 0.0007576100000000, -0.0005981000000000 ] - [ -0.0049949900000000, -0.0027361300000000, -0.0063121200000000 ] - [ 0.0005198700000000, -0.0001765100000000, 0.0010109300000000 ] - [ 0.0009593800000000, -0.0008451000000000, 0.0004286500000000 ] - [ -0.0002313600000000, -0.0014772800000000, -0.0000854700000000 ] - [ 0.0006330100000000, -0.0008682400000000, -0.0004931600000000 ] - [ -0.0002243300000000, -0.0009943000000000, 0.0009014300000000 ] - [ -0.0003417200000000, 0.0003248800000000, 0.0000378000000000 ] - [ 0.0006557600000000, -0.0009066900000000, 0.0007097400000000 ] - [ -0.0046939900000000, -0.0028491100000000, -0.0060717900000000 ] - [ -0.0046151100000000, -0.0122457600000000, -0.0091490500000000 ] - [ -0.0003427600000000, -0.0001416600000000, -0.0001790800000000 ] - [ 0.0002746000000000, -0.0004680100000000, 0.0000494000000000 ] - [ -0.0021882700000000, 0.0039817900000000, 0.0031960300000000 ] - [ 0.0002943100000000, 0.0002106400000000, 0.0001428000000000 ] - [ -0.0002092300000000, 0.0004627700000000, 0.0002255600000000 ] - [ 0.0000516600000000, -0.0005019000000000, 0.0000753900000000 ] - [ 0.0000728400000000, -0.0000448800000000, 0.0000764100000000 ] - [ 0.0003646900000000, 0.0003041400000000, 0.0004566000000000 ] - [ 0.0027224200000000, 0.0011056500000000, 0.0031066000000000 ] - [ -0.0013796700000000, 0.0009274100000000, -0.0007320600000000 ] - [ -0.0000681000000000, 0.0006049600000000, -0.0000770900000000 ] - [ 0.0002575800000000, -0.0004176000000000, 0.0002111100000000 ] - [ 0.0009524900000000, -0.0008212000000000, 0.0028196400000000 ] - [ 0.0007209600000000, 0.0004368000000000, -0.0000171200000000 ] - [ 0.0001529000000000, -0.0003335300000000, -0.0002315500000000 ] - [ -0.0001782700000000, 0.0008240300000000, -0.0005643700000000 ] - [ 0.0132298600000000, 0.0006821000000000, 0.0121261800000000 ] - [ -0.0000276100000000, 0.0008374500000000, -0.0001104200000000 ] - [ 0.0133211200000000, 0.0007895700000000, 0.0121101800000000 ] - [ 0.0006604700000000, 0.0000277200000000, 0.0002378100000000 ] - [ -0.0003032500000000, 0.0006154200000000, -0.0000999900000000 ] - [ -0.0000028600000000, 0.0006314600000000, 0.0005343800000000 ] - [ 0.0008417100000000, -0.0010469900000000, 0.0032966800000000 ] - [ 0.0002268900000000, 0.0010081400000000, -0.0008347200000000 ] - [ -0.0002583000000000, 0.0006588000000000, -0.0001497700000000 ] - [ 0.0188775900000000, 0.0087485900000000, -0.0087559100000000 ] - [ -0.0002181100000000, 0.0007022400000000, -0.0002316700000000 ] - [ -0.0001238400000000, 0.0003936800000000, -0.0001116900000000 ] - [ 0.0031623500000000, 0.0008698800000000, 0.0008403500000000 ] - [ -0.0000315500000000, -0.0006001200000000, -0.0001526500000000 ] - [ 0.0075355600000000, 0.0356461700000000, 0.0146872000000000 ] - [ 0.0074654900000000, 0.0360549300000000, 0.0149348900000000 ] - [ 0.0028700900000000, 0.0009278700000000, 0.0010268300000000 ] - [ -0.0001935600000000, -0.0015229300000000, -0.0005354600000000 ] - [ -0.2552124800000000, -0.3400930100000000, -0.0514416200000000 ] - [ 0.0009089700000000, -0.0002033800000000, -0.0001853500000000 ] - [ 0.0000834100000000, -0.0003238000000000, 0.0001600800000000 ] - [ 0.0189154200000000, 0.0086184800000000, -0.0083673800000000 ] - [ 0.0000112800000000, -0.0004589300000000, -0.0000070900000000 ] - [ 0.0001597000000000, 0.0003214100000000, -0.0000929300000000 ] - [ 0.0002290500000000, 0.0004864700000000, 0.0003418100000000 ] - [ 0.0012038500000000, 0.0000699000000000, -0.0004040700000000 ] - [ -0.0010795800000000, 0.0009722600000000, -0.0005544100000000 ] - [ 0.0004641700000000, 0.0003655400000000, -0.0002744600000000 ] - [ -0.0019035400000000, 0.0037297400000000, 0.0034421300000000 ] - [ 0.0009014800000000, 0.0002148500000000, -0.0000058900000000 ] - [ 0.0004373300000000, -0.0001915600000000, 0.0002214500000000 ] - [ 0.0003758100000000, -0.0013998500000000, 0.0001453800000000 ] - [ -0.0007581700000000, 0.0009919700000000, 0.0000690400000000 ] - [ -0.0002421100000000, 0.0009205300000000, -0.0000307100000000 ] - [ -0.0005024000000000, -0.0002886500000000, -0.0005658500000000 ] - [ -0.0000705000000000, 0.0007928800000000, -0.0001925500000000 ] - [ 0.0024173000000000, 0.0057315200000000, -0.0002330300000000 ] - [ -0.0000374000000000, 0.0008825500000000, -0.0002386600000000 ] - [ 0.0000676000000000, -0.0003019900000000, 0.0003594500000000 ] - [ 0.0002190900000000, -0.0008630700000000, -0.0001200800000000 ] - [ -0.0001887300000000, -0.0000643300000000, 0.0001129000000000 ] - [ -0.0003285900000000, -0.0005795000000000, 0.0001828100000000 ] - [ 0.0001761300000000, 0.0001256800000000, -0.0004891600000000 ] - [ 0.0001208500000000, 0.0012274000000000, -0.0003474500000000 ] - [ 0.0002681100000000, -0.0004133000000000, 0.0004013700000000 ] - [ -0.0002475300000000, 0.0007146100000000, 0.0000716100000000 ] - [ -0.0000878500000000, -0.0012985000000000, -0.0000468100000000 ] - [ 0.0026419100000000, 0.0011655500000000, 0.0037602700000000 ] - [ -0.0006322200000000, -0.0005292200000000, 0.0000029300000000 ] - [ 0.0002106400000000, 0.0004967500000000, -0.0013428700000000 ] - [ -0.0007991200000000, -0.0005595500000000, -0.0007843400000000 ] - [ 0.0000943300000000, 0.0004110200000000, -0.0007117300000000 ] - [ 0.0022345600000000, 0.0051704000000000, 0.0000370700000000 ]- atom: 98 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001140600000000, -0.0001126300000000, 0.0002853400000000 ] - [ 0.0001089400000000, 0.0003305500000000, 0.0005873200000000 ] - [ -0.0000607600000000, 0.0001931300000000, -0.0008443400000000 ] - [ 0.0010582000000000, -0.0004886300000000, -0.0024258100000000 ] - [ -0.0000814800000000, -0.0001294700000000, 0.0000354400000000 ] - [ 0.0000695800000000, -0.0001214800000000, 0.0003567700000000 ] - [ -0.0000064800000000, -0.0002725200000000, -0.0002721700000000 ] - [ 0.0002609600000000, 0.0002396700000000, 0.0004241000000000 ] - [ -0.0003730300000000, 0.0002872400000000, -0.0002073000000000 ] - [ -0.0001266900000000, -0.0001612800000000, 0.0001703400000000 ] - [ -0.0002448300000000, 0.0009130700000000, 0.0004499000000000 ] - [ 0.0000086800000000, 0.0000247500000000, -0.0001329200000000 ] - [ -0.0000471900000000, -0.0003738900000000, -0.0007049600000000 ] - [ -0.0000330800000000, -0.0000133600000000, -0.0002711300000000 ] - [ 0.0005474600000000, 0.0001623200000000, -0.0005624800000000 ] - [ -0.0000044300000000, 0.0000727000000000, -0.0002497300000000 ] - [ -0.0001052000000000, -0.0001695900000000, -0.0003815100000000 ] - [ 0.0002096500000000, -0.0000253800000000, 0.0011320800000000 ] - [ 0.0000669100000000, 0.0000127000000000, -0.0001273500000000 ] - [ -0.0000261300000000, -0.0001751500000000, -0.0002137700000000 ] - [ -0.0001255300000000, -0.0002035200000000, -0.0001528900000000 ] - [ 0.0002690000000000, -0.0001099800000000, 0.0000346600000000 ] - [ -0.0008323300000000, 0.0011738900000000, -0.0003989100000000 ] - [ -0.0000441100000000, -0.0002750800000000, -0.0001972200000000 ] - [ 0.0000422000000000, -0.0000766700000000, -0.0005439800000000 ] - [ -0.0000315100000000, -0.0003217500000000, -0.0008220000000000 ] - [ 0.0007552100000000, -0.0003316900000000, 0.0008308800000000 ] - [ 0.0000374000000000, -0.0003339300000000, 0.0003667900000000 ] - [ -0.0011160900000000, 0.0013419600000000, -0.0007053400000000 ] - [ 0.0006091700000000, -0.0004230000000000, 0.0006668000000000 ] - [ -0.0003215100000000, -0.0004391700000000, 0.0001065400000000 ] - [ 0.0001115000000000, 0.0000876000000000, 0.0000072800000000 ] - [ 0.0002725600000000, 0.0003289400000000, -0.0002539200000000 ] - [ -0.0001804900000000, 0.0000702700000000, -0.0002337800000000 ] - [ 0.0000070200000000, 0.0000381500000000, -0.0002031400000000 ] - [ -0.0001819500000000, 0.0000815600000000, -0.0004337100000000 ] - [ 0.0002454600000000, -0.0002418700000000, 0.0011433300000000 ] - [ 0.0012369500000000, -0.0007026800000000, -0.0023100700000000 ] - [ -0.0000254900000000, -0.0000200700000000, -0.0008554000000000 ] - [ -0.0002627900000000, 0.0009604100000000, 0.0005606100000000 ] - [ 0.0125964900000000, 0.0155577600000000, 0.0319406600000000 ] - [ -0.0000444200000000, -0.0000983100000000, 0.0003070100000000 ] - [ 0.0000589800000000, 0.0003825700000000, 0.0007044300000000 ] - [ 0.0006442800000000, 0.0008878600000000, -0.0013308800000000 ] - [ 0.0001132900000000, 0.0002414200000000, 0.0009828800000000 ] - [ 0.0006607000000000, -0.0002678000000000, -0.0007417200000000 ] - [ 0.0000592400000000, 0.0000880900000000, -0.0007710500000000 ] - [ 0.0009609300000000, -0.0003299700000000, -0.0010215700000000 ] - [ 0.0122988000000000, 0.0146388600000000, 0.0309657600000000 ] - [ 0.0000770600000000, 0.0003334500000000, -0.0004463000000000 ] - [ 0.0000889600000000, -0.0001290400000000, -0.0004416800000000 ] - [ -0.0006472800000000, -0.0034420700000000, -0.0015365100000000 ] - [ 0.0000470100000000, 0.0002883900000000, -0.0013408300000000 ] - [ -0.0032648100000000, -0.0047211200000000, -0.0050489900000000 ] - [ 0.0005486600000000, 0.0004142200000000, -0.0009317200000000 ] - [ 0.0000137600000000, 0.0002697200000000, -0.0000372700000000 ] - [ 0.0000149300000000, -0.0001923100000000, 0.0003471600000000 ] - [ 0.0001846900000000, 0.0003027500000000, -0.0010776300000000 ] - [ 0.0003866500000000, 0.0003996000000000, -0.0001627900000000 ] - [ 0.0001463600000000, -0.0001466300000000, -0.0007057000000000 ] - [ -0.0002952600000000, 0.0002041200000000, 0.0002397200000000 ] - [ -0.0029664500000000, -0.0047853200000000, -0.0047796400000000 ] - [ -0.0007610900000000, -0.0029854200000000, -0.0011635600000000 ] - [ 0.0001622700000000, -0.0003953500000000, -0.0003721600000000 ] - [ 0.0002502900000000, -0.0001803100000000, 0.0004606600000000 ] - [ -0.0005834300000000, 0.0010475500000000, 0.0002592400000000 ] - [ 0.0002588200000000, -0.0001524800000000, 0.0001574400000000 ] - [ -0.0001615600000000, 0.0000657500000000, 0.0003487000000000 ] - [ -0.0003430100000000, -0.0000887700000000, 0.0007914000000000 ] - [ -0.0000256700000000, -0.0001345200000000, 0.0002366100000000 ] - [ -0.0000531300000000, 0.0002566300000000, 0.0003563200000000 ] - [ -0.0000629300000000, 0.0018452900000000, 0.0002739600000000 ] - [ -0.0000046000000000, -0.0002411000000000, -0.0003850400000000 ] - [ 0.0001120800000000, -0.0000608800000000, 0.0003300900000000 ] - [ -0.0000633400000000, -0.0002180100000000, 0.0003873200000000 ] - [ 0.0008851200000000, 0.0003898000000000, 0.0016803900000000 ] - [ -0.0001586400000000, -0.0000452700000000, -0.0003595400000000 ] - [ -0.0004615700000000, 0.0004175600000000, -0.0000072200000000 ] - [ 0.0000035100000000, 0.0001592900000000, -0.0001544700000000 ] - [ 0.0185007900000000, 0.0112298700000000, 0.0080877900000000 ] - [ 0.0001726100000000, 0.0000155600000000, -0.0002923600000000 ] - [ 0.0183482600000000, 0.0111193700000000, 0.0079669400000000 ] - [ 0.0002414200000000, -0.0000174700000000, 0.0001362300000000 ] - [ -0.0001483500000000, -0.0002984500000000, 0.0006129200000000 ] - [ 0.0000443100000000, 0.0002324200000000, 0.0006602200000000 ] - [ 0.0007785200000000, 0.0001732700000000, 0.0021645900000000 ] - [ -0.0000205000000000, -0.0001921700000000, -0.0002078200000000 ] - [ 0.0000419300000000, -0.0000861100000000, 0.0004277800000000 ] - [ -0.0108500300000000, -0.0094945600000000, -0.0035754600000000 ] - [ 0.0000816200000000, -0.0000444700000000, 0.0003443000000000 ] - [ 0.0000304300000000, -0.0005269000000000, 0.0006032300000000 ] - [ 0.0027317000000000, 0.0015777800000000, -0.0001786900000000 ] - [ -0.0001462200000000, -0.0003769800000000, 0.0007722300000000 ] - [ 0.0024047300000000, 0.0107465200000000, -0.0020068600000000 ] - [ 0.0022018400000000, 0.0105137000000000, -0.0020559000000000 ] - [ 0.0024241200000000, 0.0016184300000000, 0.0000039300000000 ] - [ -0.0009823000000000, 0.0003431000000000, 0.0000912800000000 ] - [ -0.0450790100000000, -0.0514180400000000, -0.0577456000000000 ] - [ -0.0003695400000000, -0.0002744200000000, -0.0001007800000000 ] - [ -0.0001162400000000, -0.0001599200000000, 0.0004210200000000 ] - [ -0.0106733300000000, -0.0096781400000000, -0.0032751200000000 ] - [ -0.0003858800000000, -0.0000457100000000, 0.0007104400000000 ] - [ -0.0002838600000000, -0.0001182900000000, 0.0003391800000000 ] - [ 0.0001306500000000, 0.0003981300000000, 0.0005015800000000 ] - [ -0.0000749900000000, 0.0000013700000000, -0.0003179800000000 ] - [ 0.0002994500000000, -0.0001940100000000, -0.0002025600000000 ] - [ 0.0000185400000000, -0.0000720000000000, 0.0001598500000000 ] - [ -0.0002856900000000, 0.0007682800000000, 0.0004711400000000 ] - [ 0.0000228600000000, -0.0002709400000000, -0.0003496500000000 ] - [ 0.0001179300000000, 0.0000058400000000, 0.0003978100000000 ] - [ 0.0001518800000000, -0.0003543800000000, -0.0005140700000000 ] - [ -0.0000175300000000, -0.0000691200000000, 0.0002867000000000 ] - [ -0.0000246000000000, -0.0000309600000000, -0.0002443800000000 ] - [ 0.0000078800000000, -0.0006805000000000, 0.0011268100000000 ] - [ 0.0001312800000000, -0.0000279200000000, -0.0003727600000000 ] - [ 0.0010139800000000, 0.0016954000000000, -0.0009860500000000 ] - [ -0.0000105600000000, 0.0002422600000000, -0.0005083300000000 ] - [ 0.0000422000000000, -0.0000125000000000, 0.0007716600000000 ] - [ -0.0000040300000000, 0.0001776800000000, -0.0007798100000000 ] - [ -0.0003050200000000, 0.0001517000000000, 0.0010392800000000 ] - [ -0.0003753400000000, 0.0004321800000000, 0.0008359300000000 ] - [ 0.0001417600000000, -0.0002323600000000, -0.0004722100000000 ] - [ -0.0001289300000000, 0.0000288400000000, 0.0002841800000000 ] - [ -0.0003428000000000, 0.0003337100000000, 0.0006245100000000 ] - [ -0.0002168600000000, 0.0000752900000000, -0.0001981500000000 ] - [ -0.0008670000000000, 0.0005627600000000, 0.0005816400000000 ] - [ -0.0001865900000000, 0.0019304500000000, 0.0008974100000000 ] - [ -0.0006716400000000, 0.0004718700000000, 0.0006535000000000 ] - [ -0.0001090900000000, -0.0003346000000000, -0.0000129800000000 ] - [ -0.0002892000000000, -0.0009634800000000, 0.0009114900000000 ] - [ -0.0002224900000000, -0.0004132100000000, 0.0006222800000000 ] - [ 0.0008595100000000, 0.0011696700000000, -0.0007181600000000 ]