# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ce5d1ce8-1fa0-4894-8524-c1ae2813f5bc/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 Ba3La2C5O15F2 / C2/m (12) / materials id 581361](https://mdr.nims.go.jp/datasets/98022d3a-fa74-4587-9630-b0d71bcfa613) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.700999149999999, -2.544988090000000, 0.014808805000000 ] # a - [ 10.700999149999999, 2.544988090000000, 0.014808805000000 ] # b - [ -1.090266430000000, 0.000000000000000, 13.123176530000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.313724710000000, 0.313724710000000, 0.904433020000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.686275290000000, 0.686275290000000, 0.095566980000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.807448000000000, 0.807448000000000, 0.399198250000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.192552000000000, 0.192552000000000, 0.600801750000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: La # 7 coordinates: [ 0.894914170000000, 0.894914170000000, 0.712031400000000 ] mass: 138.905470 - symbol: La # 8 coordinates: [ 0.105085830000000, 0.105085830000000, 0.287968600000000 ] mass: 138.905470 - symbol: La # 9 coordinates: [ 0.400000760000000, 0.400000760000000, 0.184425690000000 ] mass: 138.905470 - symbol: La # 10 coordinates: [ 0.599999240000000, 0.599999240000000, 0.815574310000000 ] mass: 138.905470 - symbol: C # 11 coordinates: [ 0.458665100000000, 0.458665100000000, 0.799979190000000 ] mass: 12.010700 - symbol: C # 12 coordinates: [ 0.951569470000000, 0.951569470000000, 0.353944710000000 ] mass: 12.010700 - symbol: C # 13 coordinates: [ 0.754240150000000, 0.754240150000000, 0.724442820000000 ] mass: 12.010700 - symbol: C # 14 coordinates: [ 0.349787100000000, 0.349787100000000, 0.538640770000000 ] mass: 12.010700 - symbol: C # 15 coordinates: [ 0.048430530000000, 0.048430530000000, 0.646055290000000 ] mass: 12.010700 - symbol: C # 16 coordinates: [ 0.541334900000000, 0.541334900000000, 0.200020810000000 ] mass: 12.010700 - symbol: C # 17 coordinates: [ 0.650212900000000, 0.650212900000000, 0.461359230000000 ] mass: 12.010700 - symbol: C # 18 coordinates: [ 0.839265170000000, 0.839265170000000, 0.097116300000000 ] mass: 12.010700 - symbol: C # 19 coordinates: [ 0.160734830000000, 0.160734830000000, 0.902883700000000 ] mass: 12.010700 - symbol: C # 20 coordinates: [ 0.245759850000000, 0.245759850000000, 0.275557180000000 ] mass: 12.010700 - symbol: O # 21 coordinates: [ 0.996096240000000, 0.433314340000000, 0.275647690000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.706132120000000, 0.706132120000000, 0.505014640000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.003903760000000, 0.566685660000000, 0.724352310000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.009957090000000, 0.009957090000000, 0.387052540000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.101841220000000, 0.101841220000000, 0.869093430000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.291899760000000, 0.732381620000000, 0.186014770000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.599751190000000, 0.599751190000000, 0.234664890000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.142143780000000, 0.701387600000000, 0.340938940000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.732381620000000, 0.291899760000000, 0.186014770000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.701387600000000, 0.142143780000000, 0.340938940000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.159329730000000, 0.598915090000000, 0.557725230000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.566685660000000, 0.003903760000000, 0.724352310000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.857856220000000, 0.298612400000000, 0.659061060000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.840670270000000, 0.401084910000000, 0.442274770000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.898158780000000, 0.898158780000000, 0.130906570000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.410905510000000, 0.968279430000000, 0.916370810000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.708100240000000, 0.267618380000000, 0.813985230000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.589094490000000, 0.031720570000000, 0.083629190000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.401084910000000, 0.840670270000000, 0.442274770000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.990042910000000, 0.990042910000000, 0.612947460000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.693987630000000, 0.693987630000000, 0.720052460000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.267618380000000, 0.708100240000000, 0.813985230000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.400248810000000, 0.400248810000000, 0.765335110000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.293867880000000, 0.293867880000000, 0.494985360000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.298612400000000, 0.857856220000000, 0.659061060000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.433314340000000, 0.996096240000000, 0.275647690000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.031720570000000, 0.589094490000000, 0.083629190000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.598915090000000, 0.159329730000000, 0.557725230000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.306012370000000, 0.306012370000000, 0.279947540000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.968279430000000, 0.410905510000000, 0.916370810000000 ] mass: 15.999400 - symbol: F # 51 coordinates: [ 0.426906430000000, 0.426906430000000, 0.014105830000000 ] mass: 18.998403 - symbol: F # 52 coordinates: [ 0.874659540000000, 0.874659540000000, 0.887501070000000 ] mass: 18.998403 - symbol: F # 53 coordinates: [ 0.573093570000000, 0.573093570000000, 0.985894170000000 ] mass: 18.998403 - symbol: F # 54 coordinates: [ 0.125340460000000, 0.125340460000000, 0.112498930000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.046719237518123, -0.196464573631855, 0.003881409061652 ] # a* - [ 0.046719237518123, 0.196464573631855, 0.003881409061652 ] # b* - [ -0.000105440337036, 0.000000000000000, 0.076192302957626 ] # c*unit_cell: lattice: - [ 21.401998299999999, 0.000000000000000, 0.029617610000000 ] # a - [ 0.000000000000000, 5.089976180000000, 0.000000000000000 ] # b - [ -1.090266430000000, 0.000000000000000, 13.123176530000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.313724710000000, 0.000000000000000, 0.904433020000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.186275290000000, 0.500000000000000, 0.095566980000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.307448000000000, 0.500000000000000, 0.399198250000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.192552000000000, 0.000000000000000, 0.600801750000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.813724710000000, 0.500000000000000, 0.904433020000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 9 coordinates: [ 0.686275290000000, 0.000000000000000, 0.095566980000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 10 coordinates: [ 0.807448000000000, 0.000000000000000, 0.399198250000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 11 coordinates: [ 0.692552000000000, 0.500000000000000, 0.600801750000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: La # 13 coordinates: [ 0.394914170000000, 0.500000000000000, 0.712031400000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 14 coordinates: [ 0.105085830000000, 0.000000000000000, 0.287968600000000 ] mass: 138.905470 reduced_to: 14 - symbol: La # 15 coordinates: [ 0.400000760000000, 0.000000000000000, 0.184425690000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 16 coordinates: [ 0.099999240000000, 0.500000000000000, 0.815574310000000 ] mass: 138.905470 reduced_to: 16 - symbol: La # 17 coordinates: [ 0.894914170000000, 0.000000000000000, 0.712031400000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 18 coordinates: [ 0.605085830000000, 0.500000000000000, 0.287968600000000 ] mass: 138.905470 reduced_to: 14 - symbol: La # 19 coordinates: [ 0.900000760000000, 0.500000000000000, 0.184425690000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 20 coordinates: [ 0.599999240000000, 0.000000000000000, 0.815574310000000 ] mass: 138.905470 reduced_to: 16 - symbol: C # 21 coordinates: [ 0.458665100000000, 0.000000000000000, 0.799979190000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 22 coordinates: [ 0.451569470000000, 0.500000000000000, 0.353944710000000 ] mass: 12.010700 reduced_to: 22 - symbol: C # 23 coordinates: [ 0.254240150000000, 0.500000000000000, 0.724442820000000 ] mass: 12.010700 reduced_to: 23 - symbol: C # 24 coordinates: [ 0.349787100000000, 0.000000000000000, 0.538640770000000 ] mass: 12.010700 reduced_to: 24 - symbol: C # 25 coordinates: [ 0.048430530000000, 0.000000000000000, 0.646055290000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.041334900000000, 0.500000000000000, 0.200020810000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 27 coordinates: [ 0.150212900000000, 0.500000000000000, 0.461359230000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 28 coordinates: [ 0.339265170000000, 0.500000000000000, 0.097116300000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 29 coordinates: [ 0.160734830000000, 0.000000000000000, 0.902883700000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 30 coordinates: [ 0.245759850000000, 0.000000000000000, 0.275557180000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 31 coordinates: [ 0.958665100000000, 0.500000000000000, 0.799979190000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 32 coordinates: [ 0.951569470000000, 0.000000000000000, 0.353944710000000 ] mass: 12.010700 reduced_to: 22 - symbol: C # 33 coordinates: [ 0.754240150000000, 0.000000000000000, 0.724442820000000 ] mass: 12.010700 reduced_to: 23 - symbol: C # 34 coordinates: [ 0.849787100000000, 0.500000000000000, 0.538640770000000 ] mass: 12.010700 reduced_to: 24 - symbol: C # 35 coordinates: [ 0.548430530000000, 0.500000000000000, 0.646055290000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 36 coordinates: [ 0.541334900000000, 0.000000000000000, 0.200020810000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 37 coordinates: [ 0.650212900000000, 0.000000000000000, 0.461359230000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 38 coordinates: [ 0.839265170000000, 0.000000000000000, 0.097116300000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 39 coordinates: [ 0.660734830000000, 0.500000000000000, 0.902883700000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 40 coordinates: [ 0.745759850000000, 0.500000000000000, 0.275557180000000 ] mass: 12.010700 reduced_to: 30 - symbol: O # 41 coordinates: [ 0.214705290000000, 0.218609050000000, 0.275647690000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.206132120000000, 0.500000000000000, 0.505014640000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.285294710000000, 0.281390950000000, 0.724352310000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.009957090000000, 0.000000000000000, 0.387052540000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.101841220000000, 0.000000000000000, 0.869093430000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.012140690000000, 0.720240930000000, 0.186014770000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.099751190000000, 0.500000000000000, 0.234664890000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.421765690000000, 0.279621910000000, 0.340938940000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.012140690000000, 0.279759070000000, 0.186014770000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.421765690000000, 0.720378090000000, 0.340938940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.379122410000000, 0.219792680000000, 0.557725230000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.285294710000000, 0.718609050000000, 0.724352310000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.078234310000000, 0.220378090000000, 0.659061060000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.120877590000000, 0.280207320000000, 0.442274770000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.398158780000000, 0.500000000000000, 0.130906570000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.189592470000000, 0.778686960000000, 0.916370810000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.487859310000000, 0.779759070000000, 0.813985230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.310407530000000, 0.721313040000000, 0.083629190000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.120877590000000, 0.719792680000000, 0.442274770000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.490042910000000, 0.500000000000000, 0.612947460000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.193987630000000, 0.500000000000000, 0.720052460000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.487859310000000, 0.220240930000000, 0.813985230000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.400248810000000, 0.000000000000000, 0.765335110000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.293867880000000, 0.000000000000000, 0.494985360000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.078234310000000, 0.779621910000000, 0.659061060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.214705290000000, 0.781390950000000, 0.275647690000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.310407530000000, 0.278686960000000, 0.083629190000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.379122410000000, 0.780207320000000, 0.557725230000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.306012370000000, 0.000000000000000, 0.279947540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.189592470000000, 0.221313040000000, 0.916370810000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.714705290000000, 0.718609050000000, 0.275647690000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 72 coordinates: [ 0.706132120000000, 0.000000000000000, 0.505014640000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 73 coordinates: [ 0.785294710000000, 0.781390950000000, 0.724352310000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 74 coordinates: [ 0.509957090000000, 0.500000000000000, 0.387052540000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 75 coordinates: [ 0.601841220000000, 0.500000000000000, 0.869093430000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 76 coordinates: [ 0.512140690000000, 0.220240930000000, 0.186014770000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 77 coordinates: [ 0.599751190000000, 0.000000000000000, 0.234664890000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 78 coordinates: [ 0.921765690000000, 0.779621910000000, 0.340938940000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 79 coordinates: [ 0.512140690000000, 0.779759070000000, 0.186014770000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.921765690000000, 0.220378090000000, 0.340938940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 81 coordinates: [ 0.879122410000000, 0.719792680000000, 0.557725230000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 82 coordinates: [ 0.785294710000000, 0.218609050000000, 0.724352310000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 83 coordinates: [ 0.578234310000000, 0.720378090000000, 0.659061060000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.620877590000000, 0.780207320000000, 0.442274770000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 85 coordinates: [ 0.898158780000000, 0.000000000000000, 0.130906570000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.689592470000000, 0.278686960000000, 0.916370810000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 87 coordinates: [ 0.987859310000000, 0.279759070000000, 0.813985230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.810407530000000, 0.221313040000000, 0.083629190000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 89 coordinates: [ 0.620877590000000, 0.219792680000000, 0.442274770000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 90 coordinates: [ 0.990042910000000, 0.000000000000000, 0.612947460000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 91 coordinates: [ 0.693987630000000, 0.000000000000000, 0.720052460000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.987859310000000, 0.720240930000000, 0.813985230000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 93 coordinates: [ 0.900248810000000, 0.500000000000000, 0.765335110000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 94 coordinates: [ 0.793867880000000, 0.500000000000000, 0.494985360000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 95 coordinates: [ 0.578234310000000, 0.279621910000000, 0.659061060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 96 coordinates: [ 0.714705290000000, 0.281390950000000, 0.275647690000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 97 coordinates: [ 0.810407530000000, 0.778686960000000, 0.083629190000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.879122410000000, 0.280207320000000, 0.557725230000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 99 coordinates: [ 0.806012370000000, 0.500000000000000, 0.279947540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 100 coordinates: [ 0.689592470000000, 0.721313040000000, 0.916370810000000 ] mass: 15.999400 reduced_to: 70 - symbol: F # 101 coordinates: [ 0.426906430000000, 0.000000000000000, 0.014105830000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 102 coordinates: [ 0.374659540000000, 0.500000000000000, 0.887501070000000 ] mass: 18.998403 reduced_to: 102 - symbol: F # 103 coordinates: [ 0.073093570000000, 0.500000000000000, 0.985894170000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 104 coordinates: [ 0.125340460000000, 0.000000000000000, 0.112498930000000 ] mass: 18.998403 reduced_to: 104 - symbol: F # 105 coordinates: [ 0.926906430000000, 0.500000000000000, 0.014105830000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 106 coordinates: [ 0.874659540000000, 0.000000000000000, 0.887501070000000 ] mass: 18.998403 reduced_to: 102 - symbol: F # 107 coordinates: [ 0.573093570000000, 0.000000000000000, 0.985894170000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 108 coordinates: [ 0.625340460000000, 0.500000000000000, 0.112498930000000 ] mass: 18.998403 reduced_to: 104supercell: lattice: - [ 21.401998299999999, 0.000000000000000, 0.029617610000000 ] # a - [ 0.000000000000000, 5.089976180000000, 0.000000000000000 ] # b - [ -1.090266430000000, 0.000000000000000, 13.123176530000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.313724710000000, 0.000000000000000, 0.904433020000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.186275290000000, 0.500000000000000, 0.095566980000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.307448000000000, 0.500000000000000, 0.399198250000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.192552000000000, 0.000000000000000, 0.600801750000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.813724710000000, 0.500000000000000, 0.904433020000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 9 coordinates: [ 0.686275290000000, 0.000000000000000, 0.095566980000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 10 coordinates: [ 0.807448000000000, 0.000000000000000, 0.399198250000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 11 coordinates: [ 0.692552000000000, 0.500000000000000, 0.600801750000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: La # 13 coordinates: [ 0.394914170000000, 0.500000000000000, 0.712031400000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 14 coordinates: [ 0.105085830000000, 0.000000000000000, 0.287968600000000 ] mass: 138.905470 reduced_to: 14 - symbol: La # 15 coordinates: [ 0.400000760000000, 0.000000000000000, 0.184425690000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 16 coordinates: [ 0.099999240000000, 0.500000000000000, 0.815574310000000 ] mass: 138.905470 reduced_to: 16 - symbol: La # 17 coordinates: [ 0.894914170000000, 0.000000000000000, 0.712031400000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 18 coordinates: [ 0.605085830000000, 0.500000000000000, 0.287968600000000 ] mass: 138.905470 reduced_to: 14 - symbol: La # 19 coordinates: [ 0.900000760000000, 0.500000000000000, 0.184425690000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 20 coordinates: [ 0.599999240000000, 0.000000000000000, 0.815574310000000 ] mass: 138.905470 reduced_to: 16 - symbol: C # 21 coordinates: [ 0.458665100000000, 0.000000000000000, 0.799979190000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 22 coordinates: [ 0.451569470000000, 0.500000000000000, 0.353944710000000 ] mass: 12.010700 reduced_to: 22 - symbol: C # 23 coordinates: [ 0.254240150000000, 0.500000000000000, 0.724442820000000 ] mass: 12.010700 reduced_to: 23 - symbol: C # 24 coordinates: [ 0.349787100000000, 0.000000000000000, 0.538640770000000 ] mass: 12.010700 reduced_to: 24 - symbol: C # 25 coordinates: [ 0.048430530000000, 0.000000000000000, 0.646055290000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.041334900000000, 0.500000000000000, 0.200020810000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 27 coordinates: [ 0.150212900000000, 0.500000000000000, 0.461359230000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 28 coordinates: [ 0.339265170000000, 0.500000000000000, 0.097116300000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 29 coordinates: [ 0.160734830000000, 0.000000000000000, 0.902883700000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 30 coordinates: [ 0.245759850000000, 0.000000000000000, 0.275557180000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 31 coordinates: [ 0.958665100000000, 0.500000000000000, 0.799979190000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 32 coordinates: [ 0.951569470000000, 0.000000000000000, 0.353944710000000 ] mass: 12.010700 reduced_to: 22 - symbol: C # 33 coordinates: [ 0.754240150000000, 0.000000000000000, 0.724442820000000 ] mass: 12.010700 reduced_to: 23 - symbol: C # 34 coordinates: [ 0.849787100000000, 0.500000000000000, 0.538640770000000 ] mass: 12.010700 reduced_to: 24 - symbol: C # 35 coordinates: [ 0.548430530000000, 0.500000000000000, 0.646055290000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 36 coordinates: [ 0.541334900000000, 0.000000000000000, 0.200020810000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 37 coordinates: [ 0.650212900000000, 0.000000000000000, 0.461359230000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 38 coordinates: [ 0.839265170000000, 0.000000000000000, 0.097116300000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 39 coordinates: [ 0.660734830000000, 0.500000000000000, 0.902883700000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 40 coordinates: [ 0.745759850000000, 0.500000000000000, 0.275557180000000 ] mass: 12.010700 reduced_to: 30 - symbol: O # 41 coordinates: [ 0.214705290000000, 0.218609050000000, 0.275647690000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.206132120000000, 0.500000000000000, 0.505014640000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.285294710000000, 0.281390950000000, 0.724352310000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.009957090000000, 0.000000000000000, 0.387052540000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.101841220000000, 0.000000000000000, 0.869093430000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.012140690000000, 0.720240930000000, 0.186014770000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.099751190000000, 0.500000000000000, 0.234664890000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.421765690000000, 0.279621910000000, 0.340938940000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.012140690000000, 0.279759070000000, 0.186014770000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.421765690000000, 0.720378090000000, 0.340938940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.379122410000000, 0.219792680000000, 0.557725230000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.285294710000000, 0.718609050000000, 0.724352310000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.078234310000000, 0.220378090000000, 0.659061060000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.120877590000000, 0.280207320000000, 0.442274770000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.398158780000000, 0.500000000000000, 0.130906570000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.189592470000000, 0.778686960000000, 0.916370810000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.487859310000000, 0.779759070000000, 0.813985230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.310407530000000, 0.721313040000000, 0.083629190000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.120877590000000, 0.719792680000000, 0.442274770000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.490042910000000, 0.500000000000000, 0.612947460000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.193987630000000, 0.500000000000000, 0.720052460000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.487859310000000, 0.220240930000000, 0.813985230000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.400248810000000, 0.000000000000000, 0.765335110000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.293867880000000, 0.000000000000000, 0.494985360000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.078234310000000, 0.779621910000000, 0.659061060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.214705290000000, 0.781390950000000, 0.275647690000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.310407530000000, 0.278686960000000, 0.083629190000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.379122410000000, 0.780207320000000, 0.557725230000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.306012370000000, 0.000000000000000, 0.279947540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.189592470000000, 0.221313040000000, 0.916370810000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.714705290000000, 0.718609050000000, 0.275647690000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 72 coordinates: [ 0.706132120000000, 0.000000000000000, 0.505014640000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 73 coordinates: [ 0.785294710000000, 0.781390950000000, 0.724352310000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 74 coordinates: [ 0.509957090000000, 0.500000000000000, 0.387052540000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 75 coordinates: [ 0.601841220000000, 0.500000000000000, 0.869093430000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 76 coordinates: [ 0.512140690000000, 0.220240930000000, 0.186014770000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 77 coordinates: [ 0.599751190000000, 0.000000000000000, 0.234664890000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 78 coordinates: [ 0.921765690000000, 0.779621910000000, 0.340938940000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 79 coordinates: [ 0.512140690000000, 0.779759070000000, 0.186014770000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.921765690000000, 0.220378090000000, 0.340938940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 81 coordinates: [ 0.879122410000000, 0.719792680000000, 0.557725230000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 82 coordinates: [ 0.785294710000000, 0.218609050000000, 0.724352310000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 83 coordinates: [ 0.578234310000000, 0.720378090000000, 0.659061060000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.620877590000000, 0.780207320000000, 0.442274770000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 85 coordinates: [ 0.898158780000000, 0.000000000000000, 0.130906570000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.689592470000000, 0.278686960000000, 0.916370810000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 87 coordinates: [ 0.987859310000000, 0.279759070000000, 0.813985230000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.810407530000000, 0.221313040000000, 0.083629190000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 89 coordinates: [ 0.620877590000000, 0.219792680000000, 0.442274770000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 90 coordinates: [ 0.990042910000000, 0.000000000000000, 0.612947460000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 91 coordinates: [ 0.693987630000000, 0.000000000000000, 0.720052460000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.987859310000000, 0.720240930000000, 0.813985230000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 93 coordinates: [ 0.900248810000000, 0.500000000000000, 0.765335110000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 94 coordinates: [ 0.793867880000000, 0.500000000000000, 0.494985360000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 95 coordinates: [ 0.578234310000000, 0.279621910000000, 0.659061060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 96 coordinates: [ 0.714705290000000, 0.281390950000000, 0.275647690000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 97 coordinates: [ 0.810407530000000, 0.778686960000000, 0.083629190000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.879122410000000, 0.280207320000000, 0.557725230000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 99 coordinates: [ 0.806012370000000, 0.500000000000000, 0.279947540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 100 coordinates: [ 0.689592470000000, 0.721313040000000, 0.916370810000000 ] mass: 15.999400 reduced_to: 70 - symbol: F # 101 coordinates: [ 0.426906430000000, 0.000000000000000, 0.014105830000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 102 coordinates: [ 0.374659540000000, 0.500000000000000, 0.887501070000000 ] mass: 18.998403 reduced_to: 102 - symbol: F # 103 coordinates: [ 0.073093570000000, 0.500000000000000, 0.985894170000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 104 coordinates: [ 0.125340460000000, 0.000000000000000, 0.112498930000000 ] mass: 18.998403 reduced_to: 104 - symbol: F # 105 coordinates: [ 0.926906430000000, 0.500000000000000, 0.014105830000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 106 coordinates: [ 0.874659540000000, 0.000000000000000, 0.887501070000000 ] mass: 18.998403 reduced_to: 102 - symbol: F # 107 coordinates: [ 0.573093570000000, 0.000000000000000, 0.985894170000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 108 coordinates: [ 0.625340460000000, 0.500000000000000, 0.112498930000000 ] mass: 18.998403 reduced_to: 104displacements:- atom: 1 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0702586400000000, 0.0000000000000000, 0.0048394000000000 ] - [ 0.0043862800000000, 0.0000000000000000, -0.0016233500000000 ] - [ 0.0002201900000000, 0.0000000000000000, -0.0103673400000000 ] - [ -0.0041496900000000, 0.0000000000000000, -0.0008809800000000 ] - [ -0.0021475100000000, 0.0000000000000000, 0.0047009500000000 ] - [ 0.0015496500000000, 0.0000000000000000, 0.0012689600000000 ] - [ 0.0034411100000000, 0.0000000000000000, 0.0002694300000000 ] - [ 0.0065265400000000, 0.0000000000000000, 0.0045728900000000 ] - [ 0.0031129000000000, 0.0000000000000000, 0.0009606200000000 ] - [ 0.0022984500000000, 0.0000000000000000, 0.0004002400000000 ] - [ 0.0028786400000000, 0.0000000000000000, -0.0002407700000000 ] - [ 0.0000854500000000, 0.0000000000000000, -0.0014343200000000 ] - [ -0.0063362500000000, 0.0000000000000000, -0.0174061900000000 ] - [ -0.0004341700000000, 0.0000000000000000, -0.0019563400000000 ] - [ -0.0082962600000000, 0.0000000000000000, 0.0123060200000000 ] - [ 0.0083567800000000, 0.0000000000000000, 0.0082856300000000 ] - [ 0.0052984600000000, 0.0000000000000000, 0.0005500700000000 ] - [ 0.0022034400000000, 0.0000000000000000, 0.0022212400000000 ] - [ 0.0037232400000000, 0.0000000000000000, -0.0009672200000000 ] - [ 0.0073043700000000, 0.0000000000000000, -0.0007454600000000 ] - [ 0.0144090100000000, 0.0000000000000000, -0.0013842400000000 ] - [ -0.0017466400000000, 0.0000000000000000, -0.0005566100000000 ] - [ -0.0088483900000000, 0.0000000000000000, 0.0030722900000000 ] - [ -0.0068818300000000, 0.0000000000000000, -0.0030046700000000 ] - [ 0.0046596900000000, 0.0000000000000000, 0.0015599700000000 ] - [ 0.0012006800000000, 0.0000000000000000, 0.0001302900000000 ] - [ -0.0006987000000000, 0.0000000000000000, -0.0000351300000000 ] - [ -0.0099605700000000, 0.0000000000000000, -0.0003782000000000 ] - [ 0.0210540200000000, 0.0000000000000000, 0.0036537500000000 ] - [ -0.0056480200000000, 0.0000000000000000, -0.0002636900000000 ] - [ 0.0041075800000000, 0.0000000000000000, 0.0013259400000000 ] - [ 0.0010802600000000, 0.0000000000000000, 0.0003257500000000 ] - [ 0.0041220400000000, 0.0000000000000000, -0.0000838900000000 ] - [ 0.0022823300000000, 0.0000000000000000, 0.0007633500000000 ] - [ 0.0023999300000000, 0.0000000000000000, 0.0002298800000000 ] - [ 0.0026336000000000, 0.0000000000000000, 0.0010686900000000 ] - [ 0.0026276800000000, 0.0000000000000000, 0.0013003500000000 ] - [ 0.0036378700000000, 0.0000000000000000, 0.0011833900000000 ] - [ 0.0025652200000000, 0.0000000000000000, 0.0008575600000000 ] - [ 0.0035485200000000, 0.0000000000000000, 0.0004356700000000 ] - [ 0.0024165300000000, -0.0010733400000000, 0.0014631100000000 ] - [ 0.0011536800000000, 0.0000000000000000, -0.0009259300000000 ] - [ 0.0078657800000000, -0.0017563300000000, 0.0008373200000000 ] - [ -0.0012779400000000, 0.0000000000000000, -0.0003613600000000 ] - [ -0.0093825000000000, 0.0000000000000000, -0.0027202300000000 ] - [ -0.0012330200000000, -0.0000427200000000, 0.0003035000000000 ] - [ -0.0012092100000000, 0.0000000000000000, 0.0008003200000000 ] - [ 0.0008474400000000, 0.0002222500000000, -0.0003841900000000 ] - [ -0.0012330200000000, 0.0000427200000000, 0.0003035000000000 ] - [ 0.0008474400000000, -0.0002222500000000, -0.0003841900000000 ] - [ 0.0028526900000000, 0.0013293100000000, 0.0028112100000000 ] - [ 0.0078657800000000, 0.0017563300000000, 0.0008373200000000 ] - [ -0.0011902200000000, -0.0015201300000000, -0.0022238900000000 ] - [ 0.0000237700000000, 0.0004676500000000, -0.0000663200000000 ] - [ 0.0084781800000000, 0.0000000000000000, -0.0005010900000000 ] - [ 0.0010334900000000, 0.0011801700000000, -0.0006996800000000 ] - [ -0.0038907600000000, 0.0017040400000000, 0.0004959400000000 ] - [ 0.0059627500000000, -0.0001499800000000, 0.0002760600000000 ] - [ 0.0000237700000000, -0.0004676500000000, -0.0000663200000000 ] - [ -0.0013367400000000, 0.0000000000000000, 0.0009091000000000 ] - [ 0.0079642000000000, 0.0000000000000000, -0.0032336800000000 ] - [ -0.0038907600000000, -0.0017040400000000, 0.0004959400000000 ] - [ 0.0080663700000000, 0.0000000000000000, -0.0075029300000000 ] - [ 0.0054978500000000, 0.0000000000000000, 0.0011060700000000 ] - [ -0.0011902200000000, 0.0015201300000000, -0.0022238900000000 ] - [ 0.0024165300000000, 0.0010733400000000, 0.0014631100000000 ] - [ 0.0059627500000000, 0.0001499800000000, 0.0002760600000000 ] - [ 0.0028526900000000, -0.0013293100000000, 0.0028112100000000 ] - [ 0.0044300600000000, 0.0000000000000000, -0.0005518100000000 ] - [ 0.0010334900000000, -0.0011801700000000, -0.0006996800000000 ] - [ -0.0018062100000000, 0.0004131400000000, -0.0001832400000000 ] - [ -0.0023717000000000, 0.0000000000000000, -0.0004691400000000 ] - [ -0.0022082300000000, 0.0004801500000000, -0.0003702400000000 ] - [ 0.0005252100000000, 0.0000000000000000, 0.0003225000000000 ] - [ -0.0029557300000000, 0.0000000000000000, -0.0003624400000000 ] - [ -0.0011495600000000, 0.0003451900000000, -0.0017129000000000 ] - [ -0.0019720400000000, 0.0000000000000000, -0.0002239400000000 ] - [ -0.0010889900000000, 0.0001737500000000, -0.0002586000000000 ] - [ -0.0011495600000000, -0.0003451900000000, -0.0017129000000000 ] - [ -0.0010889900000000, -0.0001737500000000, -0.0002586000000000 ] - [ -0.0010287900000000, -0.0006883900000000, -0.0006015100000000 ] - [ -0.0022082300000000, -0.0004801500000000, -0.0003702400000000 ] - [ -0.0011446400000000, -0.0004652300000000, 0.0006269900000000 ] - [ -0.0012696300000000, -0.0003321200000000, -0.0005064500000000 ] - [ -0.0023343600000000, 0.0000000000000000, -0.0003807000000000 ] - [ -0.0014602600000000, 0.0004192000000000, -0.0002970700000000 ] - [ -0.0025798600000000, 0.0003155500000000, -0.0007080300000000 ] - [ -0.0022630800000000, 0.0003757700000000, -0.0006127200000000 ] - [ -0.0012696300000000, 0.0003321200000000, -0.0005064500000000 ] - [ -0.0031898200000000, 0.0000000000000000, -0.0005898700000000 ] - [ -0.0030760600000000, 0.0000000000000000, 0.0007657800000000 ] - [ -0.0025798600000000, -0.0003155500000000, -0.0007080300000000 ] - [ -0.0032157700000000, 0.0000000000000000, -0.0010686100000000 ] - [ -0.0017975800000000, 0.0000000000000000, -0.0003651700000000 ] - [ -0.0011446400000000, 0.0004652300000000, 0.0006269900000000 ] - [ -0.0018062100000000, -0.0004131400000000, -0.0001832400000000 ] - [ -0.0022630800000000, -0.0003757700000000, -0.0006127200000000 ] - [ -0.0010287900000000, 0.0006883900000000, -0.0006015100000000 ] - [ -0.0038896800000000, 0.0000000000000000, 0.0000512600000000 ] - [ -0.0014602600000000, -0.0004192000000000, -0.0002970700000000 ] - [ 0.0112272200000000, 0.0000000000000000, -0.0027902400000000 ] - [ 0.0073439700000000, 0.0000000000000000, 0.0031340100000000 ] - [ -0.0023043000000000, 0.0000000000000000, 0.0016687900000000 ] - [ -0.0015449100000000, 0.0000000000000000, 0.0027855400000000 ] - [ -0.0014649800000000, 0.0000000000000000, 0.0002367000000000 ] - [ -0.0012061400000000, 0.0000000000000000, 0.0002069600000000 ] - [ -0.0024069000000000, 0.0000000000000000, -0.0001947200000000 ] - [ -0.0014360200000000, 0.0000000000000000, -0.0010776700000000 ]- atom: 1 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0699861800000000, 0.0000000000000000, -0.0043427800000000 ] - [ -0.0043982500000000, 0.0000000000000000, 0.0016293700000000 ] - [ -0.0001371900000000, 0.0000000000000000, 0.0101030800000000 ] - [ 0.0038662000000000, 0.0000000000000000, 0.0008880900000000 ] - [ 0.0024692500000000, 0.0000000000000000, -0.0047128600000000 ] - [ -0.0015448600000000, 0.0000000000000000, -0.0012720000000000 ] - [ -0.0035015300000000, 0.0000000000000000, 0.0000542900000000 ] - [ -0.0065153100000000, 0.0000000000000000, -0.0045529700000000 ] - [ -0.0030623800000000, 0.0000000000000000, -0.0012832500000000 ] - [ -0.0025896900000000, 0.0000000000000000, -0.0003906200000000 ] - [ -0.0025945800000000, 0.0000000000000000, 0.0002308100000000 ] - [ -0.0000930100000000, 0.0000000000000000, 0.0014311200000000 ] - [ 0.0069329200000000, 0.0000000000000000, 0.0164343500000000 ] - [ -0.0002344600000000, 0.0000000000000000, 0.0029534500000000 ] - [ 0.0081180000000000, 0.0000000000000000, -0.0135198600000000 ] - [ -0.0082712200000000, 0.0000000000000000, -0.0071257200000000 ] - [ -0.0046220200000000, 0.0000000000000000, -0.0015327000000000 ] - [ -0.0029066700000000, 0.0000000000000000, -0.0012421600000000 ] - [ -0.0038366400000000, 0.0000000000000000, -0.0002418500000000 ] - [ -0.0071889300000000, 0.0000000000000000, 0.0019558800000000 ] - [ -0.0141997200000000, 0.0000000000000000, 0.0012648700000000 ] - [ -0.0000934300000000, 0.0000000000000000, 0.0000450800000000 ] - [ 0.0086522600000000, 0.0000000000000000, -0.0036162500000000 ] - [ 0.0058403700000000, 0.0000000000000000, 0.0021167000000000 ] - [ -0.0028290800000000, 0.0000000000000000, -0.0010538200000000 ] - [ -0.0013467300000000, 0.0000000000000000, -0.0001375500000000 ] - [ 0.0017482900000000, 0.0000000000000000, 0.0009292900000000 ] - [ 0.0117792900000000, 0.0000000000000000, 0.0009895400000000 ] - [ -0.0232442300000000, 0.0000000000000000, -0.0043020300000000 ] - [ 0.0060557100000000, 0.0000000000000000, 0.0008027800000000 ] - [ -0.0039696700000000, 0.0000000000000000, -0.0013198400000000 ] - [ -0.0029146200000000, 0.0000000000000000, -0.0008336100000000 ] - [ -0.0045148900000000, 0.0000000000000000, -0.0004570500000000 ] - [ -0.0033373500000000, 0.0000000000000000, -0.0016614400000000 ] - [ -0.0005831200000000, 0.0000000000000000, 0.0002714800000000 ] - [ -0.0027892300000000, 0.0000000000000000, -0.0010802900000000 ] - [ -0.0016042600000000, 0.0000000000000000, -0.0004164200000000 ] - [ -0.0017331600000000, 0.0000000000000000, -0.0005326400000000 ] - [ -0.0044832300000000, 0.0000000000000000, -0.0015130600000000 ] - [ -0.0031838600000000, 0.0000000000000000, 0.0001050600000000 ] - [ -0.0025723500000000, 0.0010813500000000, -0.0011214000000000 ] - [ -0.0022598800000000, 0.0000000000000000, 0.0005259900000000 ] - [ -0.0077314000000000, 0.0017515700000000, -0.0011968700000000 ] - [ 0.0016258900000000, 0.0000000000000000, 0.0004389200000000 ] - [ 0.0096372900000000, 0.0000000000000000, 0.0029334100000000 ] - [ 0.0007392300000000, -0.0000176100000000, -0.0003000300000000 ] - [ 0.0011078800000000, 0.0000000000000000, -0.0002812400000000 ] - [ -0.0007975700000000, 0.0007121700000000, 0.0003933200000000 ] - [ 0.0007392300000000, 0.0000176100000000, -0.0003000300000000 ] - [ -0.0007975700000000, -0.0007121700000000, 0.0003933200000000 ] - [ -0.0021693000000000, -0.0015369700000000, -0.0025947600000000 ] - [ -0.0077314000000000, -0.0017515700000000, -0.0011968700000000 ] - [ 0.0011438900000000, 0.0005914200000000, 0.0022295200000000 ] - [ -0.0007108800000000, -0.0002659000000000, -0.0001552100000000 ] - [ -0.0086259200000000, 0.0000000000000000, 0.0002824500000000 ] - [ -0.0000952400000000, -0.0014234400000000, 0.0012681400000000 ] - [ 0.0043876000000000, -0.0016553900000000, -0.0004725000000000 ] - [ -0.0072536800000000, 0.0002728800000000, -0.0008153700000000 ] - [ -0.0007108800000000, 0.0002659000000000, -0.0001552100000000 ] - [ 0.0009998000000000, 0.0000000000000000, -0.0009821000000000 ] - [ -0.0061707700000000, 0.0000000000000000, 0.0035575500000000 ] - [ 0.0043876000000000, 0.0016553900000000, -0.0004725000000000 ] - [ -0.0074928500000000, 0.0000000000000000, 0.0065430400000000 ] - [ -0.0044063400000000, 0.0000000000000000, -0.0007156200000000 ] - [ 0.0011438900000000, -0.0005914200000000, 0.0022295200000000 ] - [ -0.0025723500000000, -0.0010813500000000, -0.0011214000000000 ] - [ -0.0072536800000000, -0.0002728800000000, -0.0008153700000000 ] - [ -0.0021693000000000, 0.0015369700000000, -0.0025947600000000 ] - [ -0.0063466700000000, 0.0000000000000000, 0.0002627100000000 ] - [ -0.0000952400000000, 0.0014234400000000, 0.0012681400000000 ] - [ 0.0016656100000000, -0.0004072200000000, 0.0005293700000000 ] - [ 0.0012848300000000, 0.0000000000000000, 0.0000795900000000 ] - [ 0.0023528100000000, -0.0004820700000000, 0.0000245200000000 ] - [ -0.0001628900000000, 0.0000000000000000, -0.0002462200000000 ] - [ 0.0031692100000000, 0.0000000000000000, 0.0005828600000000 ] - [ 0.0006641700000000, -0.0004077500000000, 0.0017158000000000 ] - [ 0.0018778000000000, 0.0000000000000000, 0.0007462100000000 ] - [ 0.0011327500000000, 0.0007568000000000, 0.0002639000000000 ] - [ 0.0006641700000000, 0.0004077500000000, 0.0017158000000000 ] - [ 0.0011327500000000, -0.0007568000000000, 0.0002639000000000 ] - [ 0.0017083100000000, 0.0004831500000000, 0.0008212200000000 ] - [ 0.0023528100000000, 0.0004820700000000, 0.0000245200000000 ] - [ 0.0011077700000000, -0.0004613800000000, -0.0006255900000000 ] - [ 0.0005940200000000, 0.0005370300000000, 0.0002897500000000 ] - [ 0.0021218000000000, 0.0000000000000000, 0.0001598200000000 ] - [ 0.0027774700000000, -0.0005301600000000, 0.0008291500000000 ] - [ 0.0030802700000000, -0.0002546800000000, 0.0007039300000000 ] - [ 0.0009462200000000, -0.0002610400000000, 0.0000784400000000 ] - [ 0.0005940200000000, -0.0005370300000000, 0.0002897500000000 ] - [ 0.0028406000000000, 0.0000000000000000, 0.0005150200000000 ] - [ 0.0049776100000000, 0.0000000000000000, -0.0004666600000000 ] - [ 0.0030802700000000, 0.0002546800000000, 0.0007039300000000 ] - [ 0.0033236400000000, 0.0000000000000000, 0.0005481500000000 ] - [ 0.0028950900000000, 0.0000000000000000, 0.0007602600000000 ] - [ 0.0011077700000000, 0.0004613800000000, -0.0006255900000000 ] - [ 0.0016656100000000, 0.0004072200000000, 0.0005293700000000 ] - [ 0.0009462200000000, 0.0002610400000000, 0.0000784400000000 ] - [ 0.0017083100000000, -0.0004831500000000, 0.0008212200000000 ] - [ 0.0019983500000000, 0.0000000000000000, -0.0003467700000000 ] - [ 0.0027774700000000, 0.0005301600000000, 0.0008291500000000 ] - [ -0.0105418200000000, 0.0000000000000000, 0.0028452400000000 ] - [ -0.0067901500000000, 0.0000000000000000, -0.0028390900000000 ] - [ 0.0022027500000000, 0.0000000000000000, -0.0013721500000000 ] - [ 0.0011515000000000, 0.0000000000000000, -0.0031450500000000 ] - [ 0.0015757000000000, 0.0000000000000000, -0.0005437200000000 ] - [ 0.0016079400000000, 0.0000000000000000, 0.0001336700000000 ] - [ 0.0022968600000000, 0.0000000000000000, 0.0004961100000000 ] - [ 0.0010381900000000, 0.0000000000000000, 0.0007325200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000357700000000, -0.0337119000000000, 0.0001655800000000 ] - [ 0.0000025400000000, -0.0000034400000000, -0.0000041400000000 ] - [ 0.0000028500000000, 0.0022998800000000, -0.0001575700000000 ] - [ -0.0001413900000000, 0.0000899200000000, 0.0000045500000000 ] - [ 0.0001389800000000, -0.0009650000000000, -0.0000038200000000 ] - [ -0.0000013900000000, -0.0000018600000000, 0.0000030800000000 ] - [ -0.0000130100000000, -0.0000006400000000, 0.0001555000000000 ] - [ 0.0000181300000000, 0.0008217200000000, 0.0000093800000000 ] - [ 0.0000130200000000, 0.0000009900000000, -0.0001614400000000 ] - [ -0.0001408000000000, 0.0000004500000000, 0.0000104000000000 ] - [ 0.0001445700000000, 0.0000004000000000, -0.0000052000000000 ] - [ 0.0000021500000000, -0.0000112900000000, 0.0000005900000000 ] - [ 0.0004046900000000, 0.0065069100000000, -0.0005724400000000 ] - [ -0.0003483800000000, -0.0000079900000000, 0.0004823700000000 ] - [ -0.0000413600000000, -0.0024282100000000, -0.0006424000000000 ] - [ 0.0000432500000000, 0.0010304800000000, 0.0006173700000000 ] - [ 0.0003511900000000, 0.0000047300000000, -0.0004835200000000 ] - [ -0.0003528800000000, -0.0000082400000000, 0.0004813100000000 ] - [ -0.0000430000000000, -0.0000012800000000, -0.0006046800000000 ] - [ 0.0000469000000000, -0.0000383900000000, 0.0006083500000000 ] - [ 0.0000287700000000, -0.0009293100000000, -0.0000069100000000 ] - [ -0.0009115400000000, -0.0000067600000000, -0.0002534300000000 ] - [ -0.0002027700000000, 0.0182503900000000, -0.0003339900000000 ] - [ -0.0005281000000000, -0.0004528100000000, -0.0004459900000000 ] - [ 0.0009176100000000, 0.0000196500000000, 0.0002556700000000 ] - [ -0.0000701800000000, 0.0000000400000000, -0.0000038600000000 ] - [ 0.0005110600000000, -0.0000638800000000, 0.0004410900000000 ] - [ 0.0009442600000000, 0.0198411200000000, 0.0004011000000000 ] - [ -0.0009120000000000, -0.0109171500000000, -0.0003177500000000 ] - [ 0.0001817600000000, -0.0003041500000000, 0.0002716600000000 ] - [ 0.0000712900000000, -0.0000363100000000, 0.0000036000000000 ] - [ -0.0009134300000000, 0.0000013800000000, -0.0002530100000000 ] - [ -0.0001875800000000, 0.0000019900000000, -0.0002716800000000 ] - [ -0.0005295600000000, -0.0000008800000000, -0.0004483700000000 ] - [ 0.0009205600000000, 0.0000347000000000, 0.0002581500000000 ] - [ -0.0000756500000000, 0.0000822700000000, -0.0000062100000000 ] - [ 0.0005207500000000, 0.0000023900000000, 0.0004461000000000 ] - [ 0.0009588400000000, 0.0000041400000000, 0.0003265500000000 ] - [ -0.0009592000000000, -0.0000039900000000, -0.0003277000000000 ] - [ 0.0001827100000000, -0.0000040500000000, 0.0002724400000000 ] - [ -0.0000487900000000, 0.0000934400000000, 0.0000858200000000 ] - [ -0.0005460700000000, -0.0000095800000000, -0.0001960800000000 ] - [ 0.0010214900000000, -0.0030724800000000, -0.0026661300000000 ] - [ 0.0001748600000000, -0.0000010000000000, 0.0000380500000000 ] - [ 0.0000938600000000, 0.0021633700000000, 0.0001041400000000 ] - [ -0.0002451500000000, -0.0000288600000000, 0.0000022700000000 ] - [ -0.0000491700000000, 0.0000119700000000, 0.0002650800000000 ] - [ 0.0000145800000000, 0.0004925200000000, 0.0000430000000000 ] - [ -0.0002451600000000, 0.0000311300000000, 0.0000044800000000 ] - [ 0.0000336900000000, -0.0004413500000000, -0.0000380300000000 ] - [ 0.0002365100000000, 0.0000243800000000, 0.0002438200000000 ] - [ -0.0008715500000000, -0.0031387000000000, 0.0021901200000000 ] - [ -0.0000310800000000, -0.0004904600000000, -0.0000162600000000 ] - [ -0.0003550600000000, 0.0001281100000000, -0.0001428500000000 ] - [ -0.0000893300000000, -0.0031232900000000, -0.0001171900000000 ] - [ 0.0009487200000000, 0.0053306500000000, -0.0001448300000000 ] - [ 0.0001257500000000, 0.0004448900000000, -0.0005114100000000 ] - [ 0.0015402000000000, -0.0021760400000000, -0.0033111600000000 ] - [ -0.0003248000000000, -0.0000795500000000, -0.0000736300000000 ] - [ -0.0001812100000000, 0.0000032500000000, -0.0000343700000000 ] - [ 0.0009514300000000, -0.0027775100000000, 0.0001483800000000 ] - [ 0.0003747700000000, 0.0004086000000000, 0.0005174800000000 ] - [ 0.0000577700000000, 0.0009964900000000, -0.0002496100000000 ] - [ 0.0005518900000000, 0.0001208900000000, 0.0002005400000000 ] - [ -0.0000171600000000, 0.0004433200000000, 0.0000080000000000 ] - [ -0.0000993400000000, 0.0000862300000000, 0.0002661300000000 ] - [ -0.0028624300000000, -0.0021904000000000, 0.0029463300000000 ] - [ 0.0004443700000000, 0.0002267200000000, -0.0000173100000000 ] - [ -0.0009456000000000, 0.0002911600000000, -0.0001458300000000 ] - [ 0.0002521000000000, 0.0054744600000000, 0.0006835400000000 ] - [ -0.0000761500000000, 0.0000044300000000, 0.0001759600000000 ] - [ -0.0005473400000000, -0.0000000700000000, -0.0001963900000000 ] - [ 0.0000744600000000, -0.0000016800000000, -0.0001754900000000 ] - [ 0.0001723800000000, -0.0000030200000000, 0.0000373600000000 ] - [ 0.0001006300000000, -0.0000008000000000, 0.0001089200000000 ] - [ -0.0001764800000000, -0.0000382500000000, 0.0000203000000000 ] - [ -0.0000533000000000, -0.0000160700000000, 0.0002623700000000 ] - [ 0.0000241100000000, 0.0004654400000000, 0.0000036800000000 ] - [ -0.0003162200000000, 0.0000199800000000, -0.0000143200000000 ] - [ 0.0000245500000000, -0.0004659900000000, 0.0000035300000000 ] - [ 0.0003397700000000, -0.0001049200000000, 0.0001096100000000 ] - [ 0.0000747500000000, 0.0000020900000000, -0.0001750400000000 ] - [ -0.0000160200000000, -0.0004779200000000, -0.0000099000000000 ] - [ -0.0003423100000000, 0.0001031200000000, -0.0001079500000000 ] - [ -0.0001040000000000, 0.0000000100000000, -0.0001097800000000 ] - [ 0.0006554600000000, -0.0000536900000000, 0.0002660900000000 ] - [ 0.0002132200000000, 0.0000402600000000, -0.0000005800000000 ] - [ -0.0006533600000000, 0.0000551700000000, -0.0002664600000000 ] - [ -0.0003409600000000, -0.0001020700000000, -0.0001087700000000 ] - [ -0.0001737000000000, 0.0000013100000000, -0.0000362300000000 ] - [ 0.0009460600000000, 0.0000001800000000, 0.0001461700000000 ] - [ 0.0002758300000000, -0.0000168500000000, -0.0000064700000000 ] - [ 0.0000480400000000, 0.0000092400000000, -0.0002653700000000 ] - [ 0.0005474000000000, 0.0000002300000000, 0.0001992100000000 ] - [ -0.0000350200000000, 0.0004577900000000, 0.0000052500000000 ] - [ -0.0000765100000000, -0.0000045300000000, 0.0001752100000000 ] - [ -0.0006539900000000, -0.0000570900000000, -0.0002663100000000 ] - [ 0.0003400600000000, 0.0001049800000000, 0.0001099100000000 ] - [ -0.0009454900000000, -0.0000003800000000, -0.0001437700000000 ] - [ 0.0006514800000000, 0.0000580100000000, 0.0002616000000000 ] - [ 0.0000638300000000, 0.0024611000000000, -0.0001412500000000 ] - [ 0.0003244700000000, -0.0007172400000000, 0.0001681300000000 ] - [ -0.0000627400000000, -0.0000927300000000, 0.0001523200000000 ] - [ -0.0002088000000000, 0.0000314000000000, -0.0001683800000000 ] - [ 0.0000605400000000, 0.0000001100000000, -0.0001520100000000 ] - [ 0.0002078000000000, -0.0000005300000000, 0.0001681700000000 ] - [ -0.0000604700000000, -0.0000024800000000, 0.0001498900000000 ] - [ -0.0002099400000000, 0.0000031000000000, -0.0001724300000000 ]- atom: 1 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0102303600000000, 0.0000000000000000, -0.0869653800000000 ] - [ -0.0008920500000000, 0.0000000000000000, -0.0009528200000000 ] - [ -0.0102090500000000, 0.0000000000000000, 0.0007371200000000 ] - [ -0.0011610900000000, 0.0000000000000000, 0.0076380000000000 ] - [ 0.0063807000000000, 0.0000000000000000, 0.0077879300000000 ] - [ 0.0009483000000000, 0.0000000000000000, 0.0010275700000000 ] - [ -0.0002034900000000, 0.0000000000000000, -0.0003608800000000 ] - [ 0.0046162700000000, 0.0000000000000000, -0.0072907800000000 ] - [ 0.0008893200000000, 0.0000000000000000, -0.0012548100000000 ] - [ 0.0002379300000000, 0.0000000000000000, 0.0005409600000000 ] - [ -0.0003374200000000, 0.0000000000000000, 0.0008169100000000 ] - [ -0.0012695300000000, 0.0000000000000000, 0.0041412100000000 ] - [ -0.0147888500000000, 0.0000000000000000, 0.0072731600000000 ] - [ -0.0031298100000000, 0.0000000000000000, 0.0050916200000000 ] - [ 0.0116189400000000, 0.0000000000000000, 0.0196223500000000 ] - [ 0.0047590600000000, 0.0000000000000000, -0.0066607700000000 ] - [ 0.0009389600000000, 0.0000000000000000, -0.0008902400000000 ] - [ 0.0022268100000000, 0.0000000000000000, 0.0023786100000000 ] - [ -0.0004140400000000, 0.0000000000000000, -0.0004104600000000 ] - [ -0.0035779700000000, 0.0000000000000000, -0.0015133000000000 ] - [ -0.0162328700000000, 0.0000000000000000, -0.0056454400000000 ] - [ 0.0027355700000000, 0.0000000000000000, 0.0011565400000000 ] - [ 0.0180304500000000, 0.0000000000000000, 0.0021034500000000 ] - [ 0.0013090300000000, 0.0000000000000000, 0.0019276300000000 ] - [ 0.0028769200000000, 0.0000000000000000, 0.0008724700000000 ] - [ -0.0014794000000000, 0.0000000000000000, -0.0005289700000000 ] - [ 0.0037750000000000, 0.0000000000000000, 0.0021571600000000 ] - [ 0.0150394900000000, 0.0000000000000000, 0.0077350500000000 ] - [ -0.0043441300000000, 0.0000000000000000, -0.0028598000000000 ] - [ -0.0046360700000000, 0.0000000000000000, 0.0014118500000000 ] - [ 0.0002124900000000, 0.0000000000000000, -0.0000099100000000 ] - [ -0.0005927200000000, 0.0000000000000000, -0.0001055000000000 ] - [ -0.0008026300000000, 0.0000000000000000, -0.0002815300000000 ] - [ -0.0000807600000000, 0.0000000000000000, -0.0002270400000000 ] - [ -0.0019243500000000, 0.0000000000000000, -0.0005008600000000 ] - [ 0.0034586700000000, 0.0000000000000000, 0.0011822000000000 ] - [ 0.0013348800000000, 0.0000000000000000, 0.0009068700000000 ] - [ 0.0008584500000000, 0.0000000000000000, 0.0002555900000000 ] - [ -0.0016601900000000, 0.0000000000000000, -0.0006460900000000 ] - [ 0.0009490300000000, 0.0000000000000000, 0.0003217100000000 ] - [ 0.0019276200000000, -0.0005507700000000, -0.0014410200000000 ] - [ -0.0019097200000000, 0.0000000000000000, -0.0033860500000000 ] - [ -0.0013377400000000, -0.0037792300000000, 0.0060189600000000 ] - [ 0.0001974700000000, 0.0000000000000000, -0.0006678500000000 ] - [ 0.0029017500000000, 0.0000000000000000, 0.0012118500000000 ] - [ 0.0004054200000000, -0.0002816500000000, 0.0001329600000000 ] - [ 0.0016883800000000, 0.0000000000000000, -0.0006776500000000 ] - [ -0.0009291400000000, -0.0008780400000000, -0.0036998100000000 ] - [ 0.0004054200000000, 0.0002816500000000, 0.0001329600000000 ] - [ -0.0009291400000000, 0.0008780400000000, -0.0036998100000000 ] - [ 0.0006303000000000, -0.0010092100000000, -0.0034467000000000 ] - [ -0.0013377400000000, 0.0037792300000000, 0.0060189600000000 ] - [ -0.0016399400000000, -0.0007040900000000, 0.0002223200000000 ] - [ -0.0016213800000000, -0.0007324100000000, -0.0022158200000000 ] - [ -0.0107590500000000, 0.0000000000000000, -0.0038211300000000 ] - [ 0.0011943100000000, -0.0003294800000000, 0.0058238600000000 ] - [ 0.0063804100000000, -0.0031097600000000, 0.0034290700000000 ] - [ -0.0036585400000000, -0.0063305500000000, 0.0076187500000000 ] - [ -0.0016213800000000, 0.0007324100000000, -0.0022158200000000 ] - [ 0.0033702600000000, 0.0000000000000000, -0.0016504600000000 ] - [ -0.0139226100000000, 0.0000000000000000, 0.0015365300000000 ] - [ 0.0063804100000000, 0.0031097600000000, 0.0034290700000000 ] - [ -0.0022970000000000, 0.0000000000000000, 0.0112109400000000 ] - [ -0.0000881200000000, 0.0000000000000000, -0.0029666100000000 ] - [ -0.0016399400000000, 0.0007040900000000, 0.0002223200000000 ] - [ 0.0019276200000000, 0.0005507700000000, -0.0014410200000000 ] - [ -0.0036585400000000, 0.0063305500000000, 0.0076187500000000 ] - [ 0.0006303000000000, 0.0010092100000000, -0.0034467000000000 ] - [ 0.0031790600000000, 0.0000000000000000, -0.0041737400000000 ] - [ 0.0011943100000000, 0.0003294800000000, 0.0058238600000000 ] - [ -0.0006600600000000, 0.0000055500000000, 0.0000852900000000 ] - [ -0.0011193700000000, 0.0000000000000000, -0.0006224100000000 ] - [ 0.0002487800000000, -0.0001589500000000, -0.0001306100000000 ] - [ -0.0021835400000000, 0.0000000000000000, -0.0013780100000000 ] - [ 0.0005478200000000, 0.0000000000000000, 0.0010401500000000 ] - [ -0.0031668300000000, -0.0001220300000000, -0.0006304000000000 ] - [ -0.0027968500000000, 0.0000000000000000, -0.0006051200000000 ] - [ -0.0001450300000000, 0.0003838400000000, -0.0002836600000000 ] - [ -0.0031668300000000, 0.0001220300000000, -0.0006304000000000 ] - [ -0.0001450300000000, -0.0003838400000000, -0.0002836600000000 ] - [ 0.0000562800000000, -0.0001937400000000, -0.0000680300000000 ] - [ 0.0002487800000000, 0.0001589500000000, -0.0001306100000000 ] - [ 0.0011783700000000, 0.0001486500000000, -0.0000762500000000 ] - [ -0.0005379600000000, -0.0002572700000000, -0.0010680100000000 ] - [ 0.0000495900000000, 0.0000000000000000, -0.0001300700000000 ] - [ 0.0011205800000000, -0.0001785600000000, 0.0007834000000000 ] - [ -0.0000164000000000, -0.0000914400000000, 0.0003693800000000 ] - [ -0.0006732400000000, -0.0000100400000000, -0.0000927200000000 ] - [ -0.0005379600000000, 0.0002572700000000, -0.0010680100000000 ] - [ -0.0018865600000000, 0.0000000000000000, -0.0005400500000000 ] - [ 0.0017310500000000, 0.0000000000000000, -0.0000964200000000 ] - [ -0.0000164000000000, 0.0000914400000000, 0.0003693800000000 ] - [ -0.0000134500000000, 0.0000000000000000, -0.0002424100000000 ] - [ 0.0002912100000000, 0.0000000000000000, -0.0001498500000000 ] - [ 0.0011783700000000, -0.0001486500000000, -0.0000762500000000 ] - [ -0.0006600600000000, -0.0000055500000000, 0.0000852900000000 ] - [ -0.0006732400000000, 0.0000100400000000, -0.0000927200000000 ] - [ 0.0000562800000000, 0.0001937400000000, -0.0000680300000000 ] - [ -0.0015569400000000, 0.0000000000000000, -0.0002415600000000 ] - [ 0.0011205800000000, 0.0001785600000000, 0.0007834000000000 ] - [ 0.0003349800000000, 0.0000000000000000, 0.0070399400000000 ] - [ -0.0001963500000000, 0.0000000000000000, 0.0121167900000000 ] - [ 0.0007813100000000, 0.0000000000000000, 0.0022181800000000 ] - [ 0.0016978500000000, 0.0000000000000000, -0.0008795800000000 ] - [ 0.0002381300000000, 0.0000000000000000, 0.0000901800000000 ] - [ 0.0002396400000000, 0.0000000000000000, 0.0005209100000000 ] - [ -0.0008275000000000, 0.0000000000000000, 0.0022544900000000 ] - [ -0.0008932900000000, 0.0000000000000000, 0.0003456800000000 ]- atom: 1 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0107776800000000, 0.0000000000000000, 0.0872600300000000 ] - [ 0.0009028500000000, 0.0000000000000000, 0.0009366300000000 ] - [ 0.0102227900000000, 0.0000000000000000, -0.0011155300000000 ] - [ 0.0008680000000000, 0.0000000000000000, -0.0076309900000000 ] - [ -0.0061358800000000, 0.0000000000000000, -0.0078137100000000 ] - [ -0.0009510400000000, 0.0000000000000000, -0.0010189900000000 ] - [ 0.0001518800000000, 0.0000000000000000, 0.0006815100000000 ] - [ -0.0046449800000000, 0.0000000000000000, 0.0072636100000000 ] - [ -0.0008356100000000, 0.0000000000000000, 0.0009271900000000 ] - [ -0.0005267000000000, 0.0000000000000000, -0.0005307000000000 ] - [ 0.0006343800000000, 0.0000000000000000, -0.0008210800000000 ] - [ 0.0012816000000000, 0.0000000000000000, -0.0041350100000000 ] - [ 0.0155678400000000, 0.0000000000000000, -0.0081797100000000 ] - [ 0.0024193900000000, 0.0000000000000000, -0.0041361000000000 ] - [ -0.0115966100000000, 0.0000000000000000, -0.0207383400000000 ] - [ -0.0046307500000000, 0.0000000000000000, 0.0079284600000000 ] - [ -0.0002322600000000, 0.0000000000000000, -0.0000683600000000 ] - [ -0.0029118300000000, 0.0000000000000000, -0.0014201800000000 ] - [ 0.0003114200000000, 0.0000000000000000, -0.0008095100000000 ] - [ 0.0036764200000000, 0.0000000000000000, 0.0027417100000000 ] - [ 0.0164129400000000, 0.0000000000000000, 0.0056362400000000 ] - [ -0.0045485300000000, 0.0000000000000000, -0.0016605200000000 ] - [ -0.0184547600000000, 0.0000000000000000, -0.0027234100000000 ] - [ -0.0023533000000000, 0.0000000000000000, -0.0028306900000000 ] - [ -0.0010385100000000, 0.0000000000000000, -0.0003617100000000 ] - [ 0.0013308600000000, 0.0000000000000000, 0.0005181200000000 ] - [ -0.0027431400000000, 0.0000000000000000, -0.0012681400000000 ] - [ -0.0131110800000000, 0.0000000000000000, -0.0069601100000000 ] - [ 0.0025590000000000, 0.0000000000000000, 0.0022341300000000 ] - [ 0.0049839600000000, 0.0000000000000000, -0.0008661900000000 ] - [ -0.0000611500000000, 0.0000000000000000, 0.0000195900000000 ] - [ -0.0012412700000000, 0.0000000000000000, -0.0004025600000000 ] - [ 0.0004224600000000, 0.0000000000000000, -0.0002588000000000 ] - [ -0.0009843900000000, 0.0000000000000000, -0.0006750200000000 ] - [ 0.0037620400000000, 0.0000000000000000, 0.0010128200000000 ] - [ -0.0036020100000000, 0.0000000000000000, -0.0011915500000000 ] - [ -0.0002787500000000, 0.0000000000000000, -0.0000082700000000 ] - [ 0.0010553300000000, 0.0000000000000000, 0.0003978300000000 ] - [ -0.0002444100000000, 0.0000000000000000, -0.0000042500000000 ] - [ -0.0005752900000000, 0.0000000000000000, 0.0002192300000000 ] - [ -0.0020583600000000, 0.0005499500000000, 0.0017895100000000 ] - [ 0.0008243400000000, 0.0000000000000000, 0.0029966900000000 ] - [ 0.0013951500000000, 0.0040672800000000, -0.0067970900000000 ] - [ 0.0001570400000000, 0.0000000000000000, 0.0007454900000000 ] - [ -0.0027443400000000, 0.0000000000000000, -0.0010207600000000 ] - [ -0.0008939900000000, 0.0002192400000000, -0.0001210200000000 ] - [ -0.0017829500000000, 0.0000000000000000, 0.0012047400000000 ] - [ 0.0009670800000000, 0.0018028900000000, 0.0036968800000000 ] - [ -0.0008939900000000, -0.0002192400000000, -0.0001210200000000 ] - [ 0.0009670800000000, -0.0018028900000000, 0.0036968800000000 ] - [ 0.0000465800000000, 0.0008030800000000, 0.0036660300000000 ] - [ 0.0013951500000000, -0.0040672800000000, -0.0067970900000000 ] - [ 0.0015964600000000, -0.0002317900000000, -0.0002403500000000 ] - [ 0.0009480800000000, 0.0009412800000000, 0.0020047300000000 ] - [ 0.0105204400000000, 0.0000000000000000, 0.0035809400000000 ] - [ 0.0000701300000000, 0.0001981100000000, -0.0052864300000000 ] - [ -0.0059001800000000, 0.0031708800000000, -0.0034385900000000 ] - [ 0.0022970900000000, 0.0060644500000000, -0.0076202400000000 ] - [ 0.0009480800000000, -0.0009412800000000, 0.0020047300000000 ] - [ -0.0037324100000000, 0.0000000000000000, 0.0015718900000000 ] - [ 0.0158775200000000, 0.0000000000000000, -0.0012456400000000 ] - [ -0.0059001800000000, -0.0031708800000000, -0.0034385900000000 ] - [ 0.0028629400000000, 0.0000000000000000, -0.0120792900000000 ] - [ 0.0011800600000000, 0.0000000000000000, 0.0033617100000000 ] - [ 0.0015964600000000, 0.0002317900000000, -0.0002403500000000 ] - [ -0.0020583600000000, -0.0005499500000000, 0.0017895100000000 ] - [ 0.0022970900000000, -0.0060644500000000, -0.0076202400000000 ] - [ 0.0000465800000000, -0.0008030800000000, 0.0036660300000000 ] - [ -0.0050581900000000, 0.0000000000000000, 0.0038681800000000 ] - [ 0.0000701300000000, -0.0001981100000000, -0.0052864300000000 ] - [ 0.0005116100000000, 0.0000027100000000, 0.0002617600000000 ] - [ 0.0000206700000000, 0.0000000000000000, 0.0002269700000000 ] - [ -0.0001077400000000, 0.0001550800000000, -0.0002167100000000 ] - [ 0.0025189000000000, 0.0000000000000000, 0.0014534300000000 ] - [ -0.0003316800000000, 0.0000000000000000, -0.0008239100000000 ] - [ 0.0026653500000000, 0.0000589800000000, 0.0006435800000000 ] - [ 0.0026906600000000, 0.0000000000000000, 0.0011259100000000 ] - [ 0.0001934900000000, 0.0005491400000000, 0.0002918500000000 ] - [ 0.0026653500000000, -0.0000589800000000, 0.0006435800000000 ] - [ 0.0001934900000000, -0.0005491400000000, 0.0002918500000000 ] - [ 0.0006220800000000, -0.0000158300000000, 0.0002801200000000 ] - [ -0.0001077400000000, -0.0001550800000000, -0.0002167100000000 ] - [ -0.0012280700000000, -0.0010829600000000, 0.0000674800000000 ] - [ -0.0001460000000000, 0.0004622900000000, 0.0008519000000000 ] - [ -0.0002629300000000, 0.0000000000000000, -0.0000853300000000 ] - [ 0.0001955800000000, 0.0000678200000000, -0.0002507200000000 ] - [ 0.0005019400000000, 0.0001513000000000, -0.0003796300000000 ] - [ -0.0006463100000000, 0.0001234100000000, -0.0004416200000000 ] - [ -0.0001460000000000, -0.0004622900000000, 0.0008519000000000 ] - [ 0.0015374500000000, 0.0000000000000000, 0.0004623900000000 ] - [ 0.0001623200000000, 0.0000000000000000, 0.0003906000000000 ] - [ 0.0005019400000000, -0.0001513000000000, -0.0003796300000000 ] - [ 0.0001059200000000, 0.0000000000000000, -0.0002846300000000 ] - [ 0.0007974500000000, 0.0000000000000000, 0.0005427200000000 ] - [ -0.0012280700000000, 0.0010829600000000, 0.0000674800000000 ] - [ 0.0005116100000000, -0.0000027100000000, 0.0002617600000000 ] - [ -0.0006463100000000, -0.0001234100000000, -0.0004416200000000 ] - [ 0.0006220800000000, 0.0000158300000000, 0.0002801200000000 ] - [ -0.0003402500000000, 0.0000000000000000, -0.0000509700000000 ] - [ 0.0001955800000000, -0.0000678200000000, -0.0002507200000000 ] - [ -0.0000488000000000, 0.0000000000000000, -0.0072083800000000 ] - [ 0.0006515100000000, 0.0000000000000000, -0.0118382600000000 ] - [ -0.0008978100000000, 0.0000000000000000, -0.0019042200000000 ] - [ -0.0020952400000000, 0.0000000000000000, 0.0005507000000000 ] - [ -0.0001296400000000, 0.0000000000000000, -0.0003913200000000 ] - [ 0.0001606800000000, 0.0000000000000000, -0.0001800100000000 ] - [ 0.0007225200000000, 0.0000000000000000, -0.0019544800000000 ] - [ 0.0004907000000000, 0.0000000000000000, -0.0006856700000000 ]- atom: 2 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0043738200000000, 0.0000000000000000, -0.0003787700000000 ] - [ -0.0392967800000000, 0.0000000000000000, 0.0055192300000000 ] - [ 0.0065484200000000, 0.0000000000000000, 0.0050292000000000 ] - [ 0.0015965000000000, 0.0000000000000000, 0.0009486600000000 ] - [ 0.0002612300000000, 0.0000000000000000, -0.0014539100000000 ] - [ -0.0040583000000000, 0.0000000000000000, -0.0013160500000000 ] - [ 0.0064923300000000, 0.0000000000000000, 0.0053258800000000 ] - [ 0.0031772100000000, 0.0000000000000000, 0.0000585300000000 ] - [ 0.0044085100000000, 0.0000000000000000, -0.0006935400000000 ] - [ -0.0000200500000000, 0.0000000000000000, -0.0014371200000000 ] - [ 0.0018880300000000, 0.0000000000000000, 0.0009321200000000 ] - [ 0.0023085500000000, 0.0000000000000000, 0.0003700100000000 ] - [ 0.0043107100000000, 0.0000000000000000, -0.0008827400000000 ] - [ -0.0065263300000000, 0.0000000000000000, 0.0116315700000000 ] - [ 0.0044642700000000, 0.0000000000000000, 0.0005065200000000 ] - [ -0.0029218800000000, 0.0000000000000000, -0.0165028600000000 ] - [ -0.0057757400000000, 0.0000000000000000, 0.0106357800000000 ] - [ 0.0036199500000000, 0.0000000000000000, 0.0000921600000000 ] - [ -0.0029456200000000, 0.0000000000000000, -0.0176803500000000 ] - [ 0.0045544800000000, 0.0000000000000000, 0.0017229200000000 ] - [ 0.0030453900000000, 0.0000000000000000, 0.0009509400000000 ] - [ 0.0020821800000000, 0.0000000000000000, 0.0006854300000000 ] - [ 0.0028008000000000, 0.0000000000000000, -0.0004291200000000 ] - [ 0.0012917000000000, 0.0000000000000000, 0.0002564600000000 ] - [ -0.0062208100000000, 0.0000000000000000, -0.0021482400000000 ] - [ -0.0079929400000000, 0.0000000000000000, 0.0004109900000000 ] - [ -0.0001109700000000, 0.0000000000000000, 0.0001127200000000 ] - [ 0.0044025400000000, 0.0000000000000000, 0.0014753500000000 ] - [ 0.0116681400000000, 0.0000000000000000, 0.0012438800000000 ] - [ 0.0036241400000000, 0.0000000000000000, 0.0005627200000000 ] - [ -0.0077513900000000, 0.0000000000000000, 0.0004535800000000 ] - [ -0.0080342900000000, 0.0000000000000000, -0.0026568800000000 ] - [ 0.0032536900000000, 0.0000000000000000, 0.0000189500000000 ] - [ -0.0011487200000000, 0.0000000000000000, -0.0007770500000000 ] - [ 0.0039129000000000, 0.0000000000000000, 0.0011948200000000 ] - [ 0.0028996700000000, 0.0000000000000000, 0.0009420700000000 ] - [ 0.0023454600000000, 0.0000000000000000, 0.0011522800000000 ] - [ 0.0135084200000000, 0.0000000000000000, 0.0019589500000000 ] - [ 0.0024946200000000, 0.0000000000000000, 0.0008240600000000 ] - [ 0.0031724100000000, 0.0000000000000000, 0.0001152700000000 ] - [ -0.0012519000000000, 0.0005877500000000, -0.0014189000000000 ] - [ -0.0002995300000000, 0.0000000000000000, 0.0002900300000000 ] - [ -0.0014689500000000, 0.0002551500000000, 0.0001630600000000 ] - [ 0.0061557600000000, 0.0000000000000000, 0.0003993100000000 ] - [ -0.0004548100000000, 0.0000000000000000, 0.0001217400000000 ] - [ 0.0064612700000000, -0.0004543800000000, 0.0008732400000000 ] - [ 0.0065926700000000, 0.0000000000000000, -0.0002097400000000 ] - [ -0.0014019800000000, -0.0001391800000000, -0.0005875400000000 ] - [ 0.0064612700000000, 0.0004543800000000, 0.0008732400000000 ] - [ -0.0014019800000000, 0.0001391800000000, -0.0005875400000000 ] - [ -0.0007191500000000, -0.0003703000000000, -0.0001351000000000 ] - [ -0.0014689500000000, -0.0002551500000000, 0.0001630600000000 ] - [ 0.0027664800000000, 0.0011926300000000, 0.0027233000000000 ] - [ 0.0004905300000000, -0.0001490800000000, -0.0005702600000000 ] - [ -0.0028605800000000, 0.0000000000000000, -0.0008716500000000 ] - [ -0.0031714400000000, 0.0023596500000000, 0.0001654100000000 ] - [ -0.0016251200000000, 0.0002867800000000, -0.0004145800000000 ] - [ -0.0029166900000000, 0.0004051900000000, -0.0009106400000000 ] - [ 0.0004905300000000, 0.0001490800000000, -0.0005702600000000 ] - [ -0.0027897700000000, 0.0000000000000000, -0.0002921800000000 ] - [ -0.0015924000000000, 0.0000000000000000, 0.0016093400000000 ] - [ -0.0016251200000000, -0.0002867800000000, -0.0004145800000000 ] - [ -0.0024002100000000, 0.0000000000000000, -0.0005231400000000 ] - [ -0.0007670600000000, 0.0000000000000000, -0.0003663500000000 ] - [ 0.0027664800000000, -0.0011926300000000, 0.0027233000000000 ] - [ -0.0012519000000000, -0.0005877500000000, -0.0014189000000000 ] - [ -0.0029166900000000, -0.0004051900000000, -0.0009106400000000 ] - [ -0.0007191500000000, 0.0003703000000000, -0.0001351000000000 ] - [ -0.0035739500000000, 0.0000000000000000, -0.0000991300000000 ] - [ -0.0031714400000000, -0.0023596500000000, 0.0001654100000000 ] - [ -0.0016199000000000, 0.0002611300000000, 0.0005104100000000 ] - [ -0.0018693400000000, 0.0000000000000000, -0.0007659400000000 ] - [ -0.0011075500000000, 0.0005840400000000, -0.0017637600000000 ] - [ -0.0024383600000000, 0.0000000000000000, -0.0002182500000000 ] - [ -0.0026610300000000, 0.0000000000000000, -0.0006554800000000 ] - [ -0.0021174500000000, 0.0002263600000000, -0.0004094300000000 ] - [ -0.0025068900000000, 0.0000000000000000, 0.0000001400000000 ] - [ 0.0028069200000000, 0.0021236200000000, 0.0027238700000000 ] - [ -0.0021174500000000, -0.0002263600000000, -0.0004094300000000 ] - [ 0.0028069200000000, -0.0021236200000000, 0.0027238700000000 ] - [ 0.0011686900000000, -0.0003553500000000, -0.0003563300000000 ] - [ -0.0011075500000000, -0.0005840400000000, -0.0017637600000000 ] - [ -0.0014513400000000, -0.0010706500000000, -0.0005915700000000 ] - [ -0.0014024700000000, -0.0001660500000000, -0.0003553700000000 ] - [ -0.0009355400000000, 0.0000000000000000, 0.0000891800000000 ] - [ -0.0016087900000000, 0.0002992300000000, -0.0003791700000000 ] - [ 0.0069481700000000, -0.0004095900000000, 0.0008721500000000 ] - [ -0.0044710100000000, 0.0024639700000000, -0.0003772700000000 ] - [ -0.0014024700000000, 0.0001660500000000, -0.0003553700000000 ] - [ 0.0058118500000000, 0.0000000000000000, 0.0003215300000000 ] - [ -0.0016868800000000, 0.0000000000000000, 0.0001932600000000 ] - [ 0.0069481700000000, 0.0004095900000000, 0.0008721500000000 ] - [ 0.0066359900000000, 0.0000000000000000, -0.0007364600000000 ] - [ 0.0007909400000000, 0.0000000000000000, 0.0006839900000000 ] - [ -0.0014513400000000, 0.0010706500000000, -0.0005915700000000 ] - [ -0.0016199000000000, -0.0002611300000000, 0.0005104100000000 ] - [ -0.0044710100000000, -0.0024639700000000, -0.0003772700000000 ] - [ 0.0011686900000000, 0.0003553500000000, -0.0003563300000000 ] - [ -0.0034875400000000, 0.0000000000000000, 0.0013142300000000 ] - [ -0.0016087900000000, -0.0002992300000000, -0.0003791700000000 ] - [ -0.0014133200000000, 0.0000000000000000, -0.0002681200000000 ] - [ -0.0011495500000000, 0.0000000000000000, 0.0005075700000000 ] - [ 0.0025700200000000, 0.0000000000000000, 0.0033184500000000 ] - [ 0.0001842700000000, 0.0000000000000000, -0.0078246100000000 ] - [ 0.0025383800000000, 0.0000000000000000, 0.0030420300000000 ] - [ 0.0003723200000000, 0.0000000000000000, -0.0075600700000000 ] - [ -0.0015282000000000, 0.0000000000000000, 0.0000356300000000 ] - [ -0.0015560800000000, 0.0000000000000000, 0.0001672700000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000306000000000, -0.0000035500000000, 0.0001651800000000 ] - [ 0.0000000000000000, -0.0194645300000000, 0.0000000000000000 ] - [ 0.0000473200000000, 0.0008213300000000, -0.0001529400000000 ] - [ -0.0001492700000000, -0.0000042300000000, -0.0000008200000000 ] - [ 0.0001481000000000, -0.0000116000000000, -0.0000015500000000 ] - [ 0.0000000000000000, 0.0000914600000000, 0.0000000000000000 ] - [ -0.0000473200000000, 0.0008213300000000, 0.0001529400000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0000000000000000 ] - [ 0.0000306000000000, -0.0000035500000000, -0.0001651800000000 ] - [ -0.0001481000000000, -0.0000116000000000, 0.0000015500000000 ] - [ 0.0001492700000000, -0.0000042300000000, 0.0000008200000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0000000000000000 ] - [ 0.0003435900000000, -0.0000009000000000, -0.0004834700000000 ] - [ -0.0003390700000000, -0.0015805300000000, 0.0004636700000000 ] - [ -0.0000516700000000, -0.0000006300000000, -0.0006160800000000 ] - [ 0.0000920400000000, 0.0046895600000000, 0.0005531200000000 ] - [ 0.0003390700000000, -0.0015805300000000, -0.0004636700000000 ] - [ -0.0003435900000000, -0.0000009000000000, 0.0004834700000000 ] - [ -0.0000920400000000, 0.0046895600000000, -0.0005531200000000 ] - [ 0.0000516700000000, -0.0000006300000000, 0.0006160800000000 ] - [ 0.0000718300000000, 0.0000003600000000, 0.0000050600000000 ] - [ -0.0009212000000000, 0.0000001500000000, -0.0002560200000000 ] - [ -0.0001834100000000, 0.0000164600000000, -0.0002696900000000 ] - [ -0.0005301400000000, 0.0000003100000000, -0.0004505900000000 ] - [ 0.0009218300000000, -0.0005363100000000, 0.0002571400000000 ] - [ -0.0000734100000000, 0.0170227600000000, 0.0000532900000000 ] - [ 0.0005232900000000, 0.0000064100000000, 0.0004474600000000 ] - [ 0.0009485900000000, -0.0000185700000000, 0.0003242700000000 ] - [ -0.0009751600000000, -0.0001220400000000, -0.0003330000000000 ] - [ 0.0001786200000000, 0.0000837300000000, 0.0002695900000000 ] - [ 0.0000734100000000, 0.0170227600000000, -0.0000532900000000 ] - [ -0.0009218300000000, -0.0005363100000000, -0.0002571400000000 ] - [ -0.0001786200000000, 0.0000837300000000, -0.0002695900000000 ] - [ -0.0005232900000000, 0.0000064100000000, -0.0004474600000000 ] - [ 0.0009212000000000, 0.0000001500000000, 0.0002560200000000 ] - [ -0.0000718300000000, 0.0000003600000000, -0.0000050600000000 ] - [ 0.0005301400000000, 0.0000003100000000, 0.0004505900000000 ] - [ 0.0009751600000000, -0.0001220400000000, 0.0003330000000000 ] - [ -0.0009485900000000, -0.0000185700000000, -0.0003242700000000 ] - [ 0.0001834100000000, 0.0000164600000000, 0.0002696900000000 ] - [ -0.0000067700000000, -0.0000133600000000, 0.0001836700000000 ] - [ -0.0005477500000000, -0.0000055200000000, -0.0001958700000000 ] - [ 0.0000654000000000, -0.0000022700000000, -0.0001738000000000 ] - [ 0.0001729000000000, 0.0002466400000000, 0.0000390400000000 ] - [ 0.0001224500000000, 0.0010661500000000, 0.0001109700000000 ] - [ 0.0010232100000000, -0.0034322700000000, -0.0008990700000000 ] - [ -0.0000427400000000, -0.0026390100000000, 0.0002586100000000 ] - [ 0.0000200000000000, 0.0004659300000000, 0.0000018800000000 ] - [ -0.0015228000000000, -0.0032923800000000, 0.0010157100000000 ] - [ 0.0000202800000000, -0.0004660600000000, 0.0000020500000000 ] - [ 0.0003394000000000, -0.0001006000000000, 0.0001076100000000 ] - [ 0.0000731600000000, 0.0000011100000000, -0.0001725800000000 ] - [ -0.0001211200000000, -0.0002847100000000, 0.0001664300000000 ] - [ -0.0003563800000000, 0.0001121100000000, -0.0000812500000000 ] - [ -0.0001108300000000, 0.0000046700000000, -0.0001105700000000 ] - [ 0.0004942600000000, 0.0001558200000000, -0.0000781300000000 ] - [ 0.0002461700000000, 0.0000334100000000, -0.0000032500000000 ] - [ -0.0006712100000000, 0.0000574100000000, -0.0002667300000000 ] - [ -0.0003243800000000, -0.0000914700000000, -0.0001336800000000 ] - [ -0.0001751200000000, -0.0000000500000000, -0.0000388700000000 ] - [ 0.0009435500000000, -0.0000011100000000, 0.0001490500000000 ] - [ 0.0002463300000000, -0.0000332000000000, -0.0000031900000000 ] - [ 0.0000518300000000, -0.0000000700000000, -0.0002610800000000 ] - [ 0.0005469700000000, -0.0000003100000000, 0.0001954700000000 ] - [ 0.0000790500000000, 0.0006438700000000, -0.0001696100000000 ] - [ -0.0001312700000000, -0.0000183200000000, 0.0001636000000000 ] - [ -0.0006500200000000, -0.0000485800000000, -0.0002664100000000 ] - [ 0.0003398000000000, 0.0001008900000000, 0.0001077900000000 ] - [ -0.0009496200000000, -0.0000160800000000, -0.0001487900000000 ] - [ 0.0008366700000000, 0.0002848200000000, 0.0006207800000000 ] - [ -0.0000731600000000, 0.0000011100000000, 0.0001725800000000 ] - [ -0.0005469700000000, -0.0000003100000000, -0.0001954700000000 ] - [ 0.0001312700000000, -0.0000183200000000, -0.0001636000000000 ] - [ 0.0001751200000000, -0.0000000500000000, 0.0000388700000000 ] - [ 0.0001108300000000, 0.0000046700000000, 0.0001105700000000 ] - [ -0.0002463300000000, -0.0000332000000000, 0.0000031900000000 ] - [ -0.0000518300000000, -0.0000000700000000, 0.0002610800000000 ] - [ -0.0000790500000000, 0.0006438700000000, 0.0001696100000000 ] - [ -0.0002461700000000, 0.0000334100000000, 0.0000032500000000 ] - [ 0.0001211200000000, -0.0002847100000000, -0.0001664300000000 ] - [ 0.0003243800000000, -0.0000914700000000, 0.0001336800000000 ] - [ 0.0000067700000000, -0.0000133600000000, -0.0001836700000000 ] - [ -0.0000202800000000, -0.0004660600000000, -0.0000020500000000 ] - [ -0.0003398000000000, 0.0001008900000000, -0.0001077900000000 ] - [ -0.0001224500000000, 0.0010661500000000, -0.0001109700000000 ] - [ 0.0006500200000000, -0.0000485800000000, 0.0002664100000000 ] - [ 0.0015228000000000, -0.0032923800000000, -0.0010157100000000 ] - [ -0.0008366700000000, 0.0002848200000000, -0.0006207800000000 ] - [ -0.0003394000000000, -0.0001006000000000, -0.0001076100000000 ] - [ -0.0001729000000000, 0.0002466400000000, -0.0000390400000000 ] - [ 0.0009496200000000, -0.0000160800000000, 0.0001487900000000 ] - [ -0.0010232100000000, -0.0034322700000000, 0.0008990700000000 ] - [ 0.0000427400000000, -0.0026390100000000, -0.0002586100000000 ] - [ 0.0005477500000000, -0.0000055200000000, 0.0001958700000000 ] - [ -0.0000200000000000, 0.0004659300000000, -0.0000018800000000 ] - [ -0.0000654000000000, -0.0000022700000000, 0.0001738000000000 ] - [ -0.0004942600000000, 0.0001558200000000, 0.0000781300000000 ] - [ 0.0003563800000000, 0.0001121100000000, 0.0000812500000000 ] - [ -0.0009435500000000, -0.0000011100000000, -0.0001490500000000 ] - [ 0.0006712100000000, 0.0000574100000000, 0.0002667300000000 ] - [ 0.0000552100000000, -0.0000005900000000, -0.0001526900000000 ] - [ 0.0001987500000000, 0.0000003000000000, 0.0001724900000000 ] - [ -0.0000214300000000, -0.0056419100000000, 0.0001625200000000 ] - [ -0.0001856700000000, 0.0022387100000000, -0.0001572700000000 ] - [ 0.0000214300000000, -0.0056419100000000, -0.0001625200000000 ] - [ 0.0001856700000000, 0.0022387100000000, 0.0001572700000000 ] - [ -0.0000552100000000, -0.0000005900000000, 0.0001526900000000 ] - [ -0.0001987500000000, 0.0000003000000000, -0.0001724900000000 ]- atom: 2 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0020078300000000, 0.0000000000000000, -0.0008715200000000 ] - [ 0.0088448400000000, 0.0000000000000000, -0.0676311700000000 ] - [ 0.0040251100000000, 0.0000000000000000, -0.0075086700000000 ] - [ 0.0011550300000000, 0.0000000000000000, 0.0013311400000000 ] - [ -0.0012545500000000, 0.0000000000000000, 0.0037476400000000 ] - [ -0.0009656100000000, 0.0000000000000000, 0.0079547700000000 ] - [ 0.0040140600000000, 0.0000000000000000, -0.0071539200000000 ] - [ -0.0002054500000000, 0.0000000000000000, -0.0006859500000000 ] - [ -0.0019600300000000, 0.0000000000000000, -0.0011985100000000 ] - [ -0.0015501300000000, 0.0000000000000000, 0.0037565900000000 ] - [ 0.0014386300000000, 0.0000000000000000, 0.0013203200000000 ] - [ 0.0002532200000000, 0.0000000000000000, 0.0005901400000000 ] - [ -0.0005911400000000, 0.0000000000000000, 0.0003680700000000 ] - [ 0.0097118700000000, 0.0000000000000000, 0.0143791900000000 ] - [ 0.0009111100000000, 0.0000000000000000, -0.0017119800000000 ] - [ -0.0142347500000000, 0.0000000000000000, 0.0045436800000000 ] - [ 0.0103214700000000, 0.0000000000000000, 0.0133688500000000 ] - [ -0.0012911100000000, 0.0000000000000000, 0.0013293600000000 ] - [ -0.0143993100000000, 0.0000000000000000, 0.0032446100000000 ] - [ 0.0010072000000000, 0.0000000000000000, -0.0004862400000000 ] - [ -0.0002808500000000, 0.0000000000000000, -0.0001528300000000 ] - [ -0.0005057700000000, 0.0000000000000000, -0.0001116300000000 ] - [ -0.0034457300000000, 0.0000000000000000, -0.0002234500000000 ] - [ 0.0001791600000000, 0.0000000000000000, -0.0000536100000000 ] - [ 0.0003601200000000, 0.0000000000000000, 0.0018778300000000 ] - [ 0.0146363800000000, 0.0000000000000000, 0.0056332700000000 ] - [ 0.0039451600000000, 0.0000000000000000, 0.0021894300000000 ] - [ 0.0009078100000000, 0.0000000000000000, 0.0002456400000000 ] - [ -0.0133044500000000, 0.0000000000000000, -0.0058770000000000 ] - [ 0.0037135200000000, 0.0000000000000000, 0.0005185300000000 ] - [ 0.0147470100000000, 0.0000000000000000, 0.0055472800000000 ] - [ -0.0014996000000000, 0.0000000000000000, 0.0013708700000000 ] - [ 0.0033496500000000, 0.0000000000000000, -0.0000231300000000 ] - [ 0.0028889100000000, 0.0000000000000000, 0.0012932700000000 ] - [ 0.0013400700000000, 0.0000000000000000, 0.0004036600000000 ] - [ -0.0004325700000000, 0.0000000000000000, -0.0001641200000000 ] - [ 0.0012312900000000, 0.0000000000000000, 0.0008410100000000 ] - [ -0.0114112600000000, 0.0000000000000000, -0.0052221400000000 ] - [ -0.0009812200000000, 0.0000000000000000, -0.0003978000000000 ] - [ -0.0030857400000000, 0.0000000000000000, 0.0003171300000000 ] - [ -0.0025936600000000, 0.0000155900000000, -0.0000382600000000 ] - [ -0.0026983200000000, 0.0000000000000000, -0.0018796800000000 ] - [ 0.0013431100000000, -0.0005828400000000, -0.0004017500000000 ] - [ 0.0011981400000000, 0.0000000000000000, -0.0033048200000000 ] - [ 0.0049013700000000, 0.0000000000000000, 0.0045880000000000 ] - [ -0.0020326700000000, -0.0035713900000000, 0.0046336500000000 ] - [ -0.0108813900000000, 0.0000000000000000, -0.0026115400000000 ] - [ -0.0002969700000000, 0.0004027200000000, -0.0000948000000000 ] - [ -0.0020326700000000, 0.0035713900000000, 0.0046336500000000 ] - [ -0.0002969700000000, -0.0004027200000000, -0.0000948000000000 ] - [ 0.0000741700000000, -0.0003042600000000, -0.0004310200000000 ] - [ 0.0013431100000000, 0.0005828400000000, -0.0004017500000000 ] - [ 0.0009431800000000, -0.0008201100000000, -0.0027385800000000 ] - [ -0.0011882500000000, -0.0011173200000000, -0.0035594500000000 ] - [ -0.0000420400000000, 0.0000000000000000, -0.0000050700000000 ] - [ 0.0054341500000000, -0.0030730100000000, 0.0036172600000000 ] - [ 0.0003518900000000, -0.0000692300000000, 0.0001520900000000 ] - [ -0.0008638700000000, -0.0000952000000000, 0.0004810200000000 ] - [ -0.0011882500000000, 0.0011173200000000, -0.0035594500000000 ] - [ -0.0004212700000000, 0.0000000000000000, -0.0003431200000000 ] - [ 0.0046977900000000, 0.0000000000000000, -0.0015958300000000 ] - [ 0.0003518900000000, 0.0000692300000000, 0.0001520900000000 ] - [ 0.0004676100000000, 0.0000000000000000, -0.0003914000000000 ] - [ 0.0003272700000000, 0.0000000000000000, -0.0006622800000000 ] - [ 0.0009431800000000, 0.0008201100000000, -0.0027385800000000 ] - [ -0.0025936600000000, -0.0000155900000000, -0.0000382600000000 ] - [ -0.0008638700000000, 0.0000952000000000, 0.0004810200000000 ] - [ 0.0000741700000000, 0.0003042600000000, -0.0004310200000000 ] - [ -0.0039577300000000, 0.0000000000000000, -0.0000089700000000 ] - [ 0.0054341500000000, 0.0030730100000000, 0.0036172600000000 ] - [ 0.0011967200000000, -0.0005786200000000, -0.0000508600000000 ] - [ -0.0007642600000000, 0.0000000000000000, -0.0010592400000000 ] - [ -0.0024385600000000, 0.0000129000000000, -0.0003943500000000 ] - [ -0.0000720100000000, 0.0000000000000000, -0.0002683300000000 ] - [ 0.0001608300000000, 0.0000000000000000, 0.0002135500000000 ] - [ -0.0001391000000000, -0.0001304300000000, 0.0001577300000000 ] - [ 0.0003649600000000, 0.0000000000000000, 0.0001345700000000 ] - [ 0.0009995000000000, 0.0001154500000000, -0.0027322900000000 ] - [ -0.0001391000000000, 0.0001304300000000, 0.0001577300000000 ] - [ 0.0009995000000000, -0.0001154500000000, -0.0027322900000000 ] - [ -0.0005009700000000, -0.0013217500000000, -0.0033363800000000 ] - [ -0.0024385600000000, -0.0000129000000000, -0.0003943500000000 ] - [ -0.0003442200000000, -0.0005289800000000, -0.0000992400000000 ] - [ -0.0006036400000000, -0.0000956500000000, -0.0006478100000000 ] - [ 0.0045112900000000, 0.0000000000000000, 0.0045089500000000 ] - [ 0.0004419300000000, -0.0002050100000000, 0.0010117400000000 ] - [ -0.0015597600000000, -0.0032310200000000, 0.0042170700000000 ] - [ 0.0041257400000000, -0.0029586000000000, 0.0030892200000000 ] - [ -0.0006036400000000, 0.0000956500000000, -0.0006478100000000 ] - [ 0.0008435800000000, 0.0000000000000000, -0.0033767400000000 ] - [ -0.0020554000000000, 0.0000000000000000, 0.0002819700000000 ] - [ -0.0015597600000000, 0.0032310200000000, 0.0042170700000000 ] - [ -0.0107513100000000, 0.0000000000000000, -0.0031181400000000 ] - [ -0.0015895000000000, 0.0000000000000000, -0.0014792500000000 ] - [ -0.0003442200000000, 0.0005289800000000, -0.0000992400000000 ] - [ 0.0011967200000000, 0.0005786200000000, -0.0000508600000000 ] - [ 0.0041257400000000, 0.0029586000000000, 0.0030892200000000 ] - [ -0.0005009700000000, 0.0013217500000000, -0.0033363800000000 ] - [ 0.0028096700000000, 0.0000000000000000, -0.0018840500000000 ] - [ 0.0004419300000000, 0.0002050100000000, 0.0010117400000000 ] - [ 0.0002128100000000, 0.0000000000000000, 0.0004863500000000 ] - [ 0.0005699400000000, 0.0000000000000000, 0.0003528300000000 ] - [ 0.0002478400000000, 0.0000000000000000, 0.0106666500000000 ] - [ -0.0046368200000000, 0.0000000000000000, 0.0034561000000000 ] - [ 0.0003071500000000, 0.0000000000000000, 0.0104167600000000 ] - [ -0.0042754000000000, 0.0000000000000000, 0.0037068400000000 ] - [ 0.0000947200000000, 0.0000000000000000, 0.0007917300000000 ] - [ 0.0001585500000000, 0.0000000000000000, 0.0000155600000000 ]- atom: 4 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0040228800000000, 0.0000000000000000, -0.0011826300000000 ] - [ 0.0017430500000000, 0.0000000000000000, 0.0014453200000000 ] - [ -0.0022843800000000, 0.0000000000000000, 0.0059390200000000 ] - [ -0.0763992400000000, 0.0000000000000000, 0.0015996800000000 ] - [ -0.0015407900000000, 0.0000000000000000, -0.0080634400000000 ] - [ 0.0044425900000000, 0.0000000000000000, -0.0010929500000000 ] - [ 0.0024242200000000, 0.0000000000000000, 0.0007446900000000 ] - [ 0.0001197100000000, 0.0000000000000000, -0.0013997000000000 ] - [ 0.0027542500000000, 0.0000000000000000, -0.0004264000000000 ] - [ 0.0033397300000000, 0.0000000000000000, 0.0000594800000000 ] - [ 0.0032212800000000, 0.0000000000000000, 0.0007591700000000 ] - [ 0.0053392400000000, 0.0000000000000000, 0.0051335800000000 ] - [ -0.0052207200000000, 0.0000000000000000, 0.0067709100000000 ] - [ 0.0071131400000000, 0.0000000000000000, 0.0060558500000000 ] - [ -0.0073260100000000, 0.0000000000000000, -0.0135120700000000 ] - [ 0.0002864000000000, 0.0000000000000000, -0.0004711100000000 ] - [ 0.0042228400000000, 0.0000000000000000, -0.0007077100000000 ] - [ 0.0066330600000000, 0.0000000000000000, -0.0015949500000000 ] - [ 0.0049175000000000, 0.0000000000000000, 0.0003180900000000 ] - [ 0.0022335000000000, 0.0000000000000000, 0.0019936300000000 ] - [ -0.0005939600000000, 0.0000000000000000, -0.0001795100000000 ] - [ 0.0231710500000000, 0.0000000000000000, 0.0007450100000000 ] - [ -0.0065397800000000, 0.0000000000000000, -0.0016236500000000 ] - [ -0.0236024800000000, 0.0000000000000000, -0.0064370400000000 ] - [ 0.0032046000000000, 0.0000000000000000, 0.0007880000000000 ] - [ 0.0039554300000000, 0.0000000000000000, 0.0014244100000000 ] - [ 0.0199995100000000, 0.0000000000000000, 0.0040684000000000 ] - [ -0.0072166000000000, 0.0000000000000000, -0.0027986200000000 ] - [ -0.0018984800000000, 0.0000000000000000, -0.0005045200000000 ] - [ -0.0256308100000000, 0.0000000000000000, 0.0037888100000000 ] - [ 0.0021340000000000, 0.0000000000000000, 0.0006477400000000 ] - [ 0.0038241600000000, 0.0000000000000000, 0.0012412200000000 ] - [ 0.0032225500000000, 0.0000000000000000, -0.0000837200000000 ] - [ 0.0026111300000000, 0.0000000000000000, 0.0008854300000000 ] - [ 0.0041512700000000, 0.0000000000000000, 0.0012942600000000 ] - [ 0.0026031000000000, 0.0000000000000000, 0.0006360300000000 ] - [ 0.0043803700000000, 0.0000000000000000, 0.0021723400000000 ] - [ 0.0036729300000000, 0.0000000000000000, 0.0012075300000000 ] - [ 0.0009149800000000, 0.0000000000000000, 0.0002049600000000 ] - [ 0.0045643600000000, 0.0000000000000000, 0.0004726400000000 ] - [ 0.0105827400000000, -0.0007218900000000, 0.0006841200000000 ] - [ 0.0087082500000000, 0.0000000000000000, -0.0081899400000000 ] - [ 0.0040254600000000, -0.0004562700000000, 0.0006644200000000 ] - [ -0.0043039600000000, 0.0000000000000000, -0.0003527300000000 ] - [ 0.0006547300000000, 0.0000000000000000, 0.0004335800000000 ] - [ -0.0027262900000000, 0.0003751500000000, -0.0009659400000000 ] - [ -0.0026633300000000, 0.0000000000000000, -0.0018455000000000 ] - [ 0.0034451700000000, -0.0002872300000000, 0.0006176500000000 ] - [ -0.0027262900000000, -0.0003751500000000, -0.0009659400000000 ] - [ 0.0034451700000000, 0.0002872300000000, 0.0006176500000000 ] - [ 0.0096743800000000, 0.0022103500000000, 0.0018471300000000 ] - [ 0.0040254600000000, 0.0004562700000000, 0.0006644200000000 ] - [ -0.0010911700000000, -0.0007417300000000, 0.0008439900000000 ] - [ -0.0058456100000000, -0.0035755300000000, -0.0017270300000000 ] - [ 0.0041767900000000, 0.0000000000000000, 0.0041347300000000 ] - [ 0.0017199000000000, 0.0001352800000000, -0.0000023700000000 ] - [ 0.0004413000000000, -0.0002083100000000, -0.0000575800000000 ] - [ 0.0036461100000000, -0.0009737200000000, 0.0004148800000000 ] - [ -0.0058456100000000, 0.0035755300000000, -0.0017270300000000 ] - [ -0.0016219200000000, 0.0000000000000000, -0.0025342000000000 ] - [ 0.0050224300000000, 0.0000000000000000, 0.0022185500000000 ] - [ 0.0004413000000000, 0.0002083100000000, -0.0000575800000000 ] - [ 0.0012545900000000, 0.0000000000000000, -0.0011844500000000 ] - [ 0.0189059300000000, 0.0000000000000000, 0.0038364700000000 ] - [ -0.0010911700000000, 0.0007417300000000, 0.0008439900000000 ] - [ 0.0105827400000000, 0.0007218900000000, 0.0006841200000000 ] - [ 0.0036461100000000, 0.0009737200000000, 0.0004148800000000 ] - [ 0.0096743800000000, -0.0022103500000000, 0.0018471300000000 ] - [ 0.0218617700000000, 0.0000000000000000, -0.0002094200000000 ] - [ 0.0017199000000000, -0.0001352800000000, -0.0000023700000000 ] - [ -0.0025332900000000, 0.0003822600000000, 0.0000805600000000 ] - [ -0.0038241800000000, 0.0000000000000000, -0.0011566700000000 ] - [ -0.0018018700000000, 0.0003367300000000, -0.0004347600000000 ] - [ -0.0094327200000000, 0.0000000000000000, -0.0013705200000000 ] - [ -0.0012174300000000, 0.0000000000000000, -0.0004313700000000 ] - [ -0.0015628400000000, 0.0004213700000000, 0.0010066400000000 ] - [ -0.0021016400000000, 0.0000000000000000, 0.0001226900000000 ] - [ -0.0022554200000000, -0.0004785200000000, -0.0006414900000000 ] - [ -0.0015628400000000, -0.0004213700000000, 0.0010066400000000 ] - [ -0.0022554200000000, 0.0004785200000000, -0.0006414900000000 ] - [ -0.0013660600000000, -0.0005940300000000, -0.0001854400000000 ] - [ -0.0018018700000000, -0.0003367300000000, -0.0004347600000000 ] - [ -0.0016743200000000, -0.0010520000000000, -0.0011020300000000 ] - [ -0.0025721300000000, -0.0006500100000000, -0.0007943400000000 ] - [ -0.0021926800000000, 0.0000000000000000, -0.0008186600000000 ] - [ -0.0005418700000000, 0.0001223800000000, 0.0000416800000000 ] - [ -0.0008504200000000, 0.0003134500000000, -0.0002734200000000 ] - [ -0.0022914100000000, 0.0003851000000000, -0.0006838400000000 ] - [ -0.0025721300000000, 0.0006500100000000, -0.0007943400000000 ] - [ -0.0023748600000000, 0.0000000000000000, 0.0002343000000000 ] - [ -0.0019259700000000, 0.0000000000000000, 0.0000457000000000 ] - [ -0.0008504200000000, -0.0003134500000000, -0.0002734200000000 ] - [ -0.0015893300000000, 0.0000000000000000, -0.0005454600000000 ] - [ -0.0020835800000000, 0.0000000000000000, -0.0004070100000000 ] - [ -0.0016743200000000, 0.0010520000000000, -0.0011020300000000 ] - [ -0.0025332900000000, -0.0003822600000000, 0.0000805600000000 ] - [ -0.0022914100000000, -0.0003851000000000, -0.0006838400000000 ] - [ -0.0013660600000000, 0.0005940300000000, -0.0001854400000000 ] - [ -0.0048758800000000, 0.0000000000000000, 0.0001270800000000 ] - [ -0.0005418700000000, -0.0001223800000000, 0.0000416800000000 ] - [ 0.0005842600000000, 0.0000000000000000, 0.0015652100000000 ] - [ 0.0016914300000000, 0.0000000000000000, -0.0000989800000000 ] - [ -0.0003708000000000, 0.0000000000000000, -0.0005621800000000 ] - [ -0.0004577800000000, 0.0000000000000000, -0.0024348000000000 ] - [ -0.0009714000000000, 0.0000000000000000, -0.0005975800000000 ] - [ -0.0007280500000000, 0.0000000000000000, 0.0000374000000000 ] - [ -0.0006515000000000, 0.0000000000000000, 0.0003762700000000 ] - [ -0.0012417000000000, 0.0000000000000000, 0.0006236100000000 ]- atom: 4 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0039716000000000, 0.0000000000000000, 0.0015047500000000 ] - [ -0.0017383700000000, 0.0000000000000000, -0.0014485900000000 ] - [ 0.0023613800000000, 0.0000000000000000, -0.0062619300000000 ] - [ 0.0761257600000000, 0.0000000000000000, -0.0016288500000000 ] - [ 0.0018667200000000, 0.0000000000000000, 0.0080872600000000 ] - [ -0.0044487200000000, 0.0000000000000000, 0.0011000200000000 ] - [ -0.0024839300000000, 0.0000000000000000, -0.0004229800000000 ] - [ -0.0001256300000000, 0.0000000000000000, 0.0013859600000000 ] - [ -0.0026992600000000, 0.0000000000000000, 0.0000895900000000 ] - [ -0.0036256600000000, 0.0000000000000000, -0.0000481000000000 ] - [ -0.0029346200000000, 0.0000000000000000, -0.0007588000000000 ] - [ -0.0053340000000000, 0.0000000000000000, -0.0050855900000000 ] - [ 0.0058907800000000, 0.0000000000000000, -0.0077896800000000 ] - [ -0.0077954500000000, 0.0000000000000000, -0.0051262100000000 ] - [ 0.0071484900000000, 0.0000000000000000, 0.0122427300000000 ] - [ -0.0001647600000000, 0.0000000000000000, 0.0016890600000000 ] - [ -0.0035252300000000, 0.0000000000000000, -0.0002582700000000 ] - [ -0.0073175400000000, 0.0000000000000000, 0.0025534300000000 ] - [ -0.0050236500000000, 0.0000000000000000, -0.0015351500000000 ] - [ -0.0021339800000000, 0.0000000000000000, -0.0007752000000000 ] - [ 0.0007271700000000, 0.0000000000000000, 0.0001841700000000 ] - [ -0.0246897200000000, 0.0000000000000000, -0.0013497600000000 ] - [ 0.0061973200000000, 0.0000000000000000, 0.0010841700000000 ] - [ 0.0223905300000000, 0.0000000000000000, 0.0054602600000000 ] - [ -0.0013597400000000, 0.0000000000000000, -0.0002754800000000 ] - [ -0.0041086600000000, 0.0000000000000000, -0.0014350300000000 ] - [ -0.0191251100000000, 0.0000000000000000, -0.0030876100000000 ] - [ 0.0090960800000000, 0.0000000000000000, 0.0034523200000000 ] - [ -0.0000011300000000, 0.0000000000000000, -0.0001450400000000 ] - [ 0.0261782200000000, 0.0000000000000000, -0.0032475000000000 ] - [ -0.0019791200000000, 0.0000000000000000, -0.0006366600000000 ] - [ -0.0056649900000000, 0.0000000000000000, -0.0017502100000000 ] - [ -0.0036095500000000, 0.0000000000000000, -0.0004574600000000 ] - [ -0.0036596500000000, 0.0000000000000000, -0.0017815700000000 ] - [ -0.0023245100000000, 0.0000000000000000, -0.0007881200000000 ] - [ -0.0027594500000000, 0.0000000000000000, -0.0006499900000000 ] - [ -0.0033504400000000, 0.0000000000000000, -0.0012830500000000 ] - [ -0.0017578000000000, 0.0000000000000000, -0.0005542200000000 ] - [ -0.0028303300000000, 0.0000000000000000, -0.0008601400000000 ] - [ -0.0041799900000000, 0.0000000000000000, 0.0000696300000000 ] - [ -0.0109421100000000, 0.0006021400000000, -0.0005131800000000 ] - [ -0.0105603500000000, 0.0000000000000000, 0.0082916800000000 ] - [ -0.0038961600000000, 0.0004534000000000, -0.0010059100000000 ] - [ 0.0046567300000000, 0.0000000000000000, 0.0004337200000000 ] - [ -0.0004406600000000, 0.0000000000000000, -0.0002149600000000 ] - [ 0.0022369600000000, -0.0004428100000000, 0.0009752300000000 ] - [ 0.0025629900000000, 0.0000000000000000, 0.0023778000000000 ] - [ -0.0029948500000000, 0.0010942500000000, -0.0007355700000000 ] - [ 0.0022369600000000, 0.0004428100000000, 0.0009752300000000 ] - [ -0.0029948500000000, -0.0010942500000000, -0.0007355700000000 ] - [ -0.0088802800000000, -0.0024395900000000, -0.0015134400000000 ] - [ -0.0038961600000000, -0.0004534000000000, -0.0010059100000000 ] - [ 0.0010445200000000, -0.0001882300000000, -0.0008539600000000 ] - [ 0.0051890700000000, 0.0037802400000000, 0.0015009400000000 ] - [ -0.0043796700000000, 0.0000000000000000, -0.0043370900000000 ] - [ -0.0004090500000000, -0.0002474400000000, 0.0005323000000000 ] - [ 0.0000605300000000, 0.0002749200000000, 0.0000546800000000 ] - [ -0.0049492000000000, 0.0010820700000000, -0.0009521400000000 ] - [ 0.0051890700000000, -0.0037802400000000, 0.0015009400000000 ] - [ 0.0012910300000000, 0.0000000000000000, 0.0024478600000000 ] - [ -0.0031461200000000, 0.0000000000000000, -0.0019352000000000 ] - [ 0.0000605300000000, -0.0002749200000000, 0.0000546800000000 ] - [ -0.0011400900000000, 0.0000000000000000, 0.0006758400000000 ] - [ -0.0177955300000000, 0.0000000000000000, -0.0033734900000000 ] - [ 0.0010445200000000, 0.0001882300000000, -0.0008539600000000 ] - [ -0.0109421100000000, -0.0006021400000000, -0.0005131800000000 ] - [ -0.0049492000000000, -0.0010820700000000, -0.0009521400000000 ] - [ -0.0088802800000000, 0.0024395900000000, -0.0015134400000000 ] - [ -0.0237857800000000, 0.0000000000000000, -0.0001132500000000 ] - [ -0.0004090500000000, 0.0002474400000000, 0.0005323000000000 ] - [ 0.0023868400000000, -0.0003750600000000, 0.0002676200000000 ] - [ 0.0027284300000000, 0.0000000000000000, 0.0007651300000000 ] - [ 0.0019446000000000, -0.0003416000000000, 0.0000871100000000 ] - [ 0.0097497500000000, 0.0000000000000000, 0.0014662000000000 ] - [ 0.0014409300000000, 0.0000000000000000, 0.0006545800000000 ] - [ 0.0010730700000000, -0.0004866200000000, -0.0009940500000000 ] - [ 0.0020001800000000, 0.0000000000000000, 0.0004008500000000 ] - [ 0.0023020400000000, 0.0014097300000000, 0.0006494000000000 ] - [ 0.0010730700000000, 0.0004866200000000, -0.0009940500000000 ] - [ 0.0023020400000000, -0.0014097300000000, 0.0006494000000000 ] - [ 0.0020458400000000, 0.0003836900000000, 0.0004006800000000 ] - [ 0.0019446000000000, 0.0003416000000000, 0.0000871100000000 ] - [ 0.0016350600000000, 0.0001244400000000, 0.0010979800000000 ] - [ 0.0018883300000000, 0.0008546400000000, 0.0005759600000000 ] - [ 0.0019739600000000, 0.0000000000000000, 0.0005983100000000 ] - [ 0.0018582300000000, -0.0002345500000000, 0.0004906600000000 ] - [ 0.0013381700000000, -0.0002465400000000, 0.0002637400000000 ] - [ 0.0009724000000000, -0.0002694200000000, 0.0001494300000000 ] - [ 0.0018883300000000, -0.0008546400000000, 0.0005759600000000 ] - [ 0.0020258800000000, 0.0000000000000000, -0.0003120900000000 ] - [ 0.0038283200000000, 0.0000000000000000, 0.0002487700000000 ] - [ 0.0013381700000000, 0.0002465400000000, 0.0002637400000000 ] - [ 0.0016870100000000, 0.0000000000000000, 0.0000201500000000 ] - [ 0.0031767900000000, 0.0000000000000000, 0.0007993000000000 ] - [ 0.0016350600000000, -0.0001244400000000, 0.0010979800000000 ] - [ 0.0023868400000000, 0.0003750600000000, 0.0002676200000000 ] - [ 0.0009724000000000, 0.0002694200000000, 0.0001494300000000 ] - [ 0.0020458400000000, -0.0003836900000000, 0.0004006800000000 ] - [ 0.0029761200000000, 0.0000000000000000, -0.0004211500000000 ] - [ 0.0018582300000000, 0.0002345500000000, 0.0004906600000000 ] - [ -0.0004738400000000, 0.0000000000000000, -0.0018630400000000 ] - [ -0.0012917700000000, 0.0000000000000000, 0.0004500300000000 ] - [ 0.0002602700000000, 0.0000000000000000, 0.0008659100000000 ] - [ 0.0000514500000000, 0.0000000000000000, 0.0020937600000000 ] - [ 0.0010773500000000, 0.0000000000000000, 0.0002922400000000 ] - [ 0.0011244900000000, 0.0000000000000000, 0.0003036800000000 ] - [ 0.0005469900000000, 0.0000000000000000, -0.0000691800000000 ] - [ 0.0008440400000000, 0.0000000000000000, -0.0009634700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000153500000000, 0.0000888000000000, 0.0001596800000000 ] - [ -0.0000004200000000, -0.0000036000000000, -0.0000014700000000 ] - [ 0.0000181500000000, -0.0009657000000000, -0.0001601000000000 ] - [ -0.0001204300000000, -0.0457939000000000, -0.0000702600000000 ] - [ 0.0001150700000000, 0.0019056300000000, 0.0000052400000000 ] - [ 0.0000054200000000, -0.0000268700000000, 0.0000004600000000 ] - [ -0.0000135400000000, -0.0000006900000000, 0.0001572200000000 ] - [ -0.0000011700000000, -0.0000124600000000, 0.0000035500000000 ] - [ 0.0000152400000000, 0.0000002200000000, -0.0001553800000000 ] - [ -0.0001436400000000, -0.0000002300000000, 0.0000077000000000 ] - [ 0.0001450700000000, 0.0000024800000000, -0.0000103000000000 ] - [ 0.0000110200000000, 0.0012916400000000, -0.0000063600000000 ] - [ 0.0003472200000000, -0.0024150500000000, -0.0004812800000000 ] - [ -0.0003677100000000, 0.0014289500000000, 0.0004965600000000 ] - [ -0.0000025200000000, 0.0037745000000000, -0.0006305100000000 ] - [ 0.0000415000000000, 0.0000003400000000, 0.0006062000000000 ] - [ 0.0003529300000000, 0.0000030600000000, -0.0004805600000000 ] - [ -0.0003506600000000, -0.0000151600000000, 0.0004849300000000 ] - [ -0.0000448500000000, 0.0000020200000000, -0.0006047000000000 ] - [ 0.0000426300000000, -0.0000033700000000, 0.0006134600000000 ] - [ 0.0000736800000000, 0.0000278800000000, 0.0000057700000000 ] - [ -0.0009647100000000, -0.0117066800000000, -0.0002532100000000 ] - [ -0.0001873500000000, -0.0009602800000000, -0.0002742400000000 ] - [ -0.0003960000000000, 0.0247309100000000, -0.0002750000000000 ] - [ 0.0009216200000000, -0.0000034800000000, 0.0002561800000000 ] - [ -0.0000667500000000, 0.0000992300000000, -0.0000024300000000 ] - [ 0.0005819400000000, -0.0012378600000000, 0.0004737800000000 ] - [ 0.0009598900000000, -0.0011899000000000, 0.0003335800000000 ] - [ -0.0009421000000000, -0.0000136400000000, -0.0003222200000000 ] - [ 0.0000304900000000, 0.0245850200000000, 0.0001536000000000 ] - [ 0.0000672200000000, -0.0000003900000000, 0.0000016800000000 ] - [ -0.0009097700000000, 0.0000072500000000, -0.0002516300000000 ] - [ -0.0001850000000000, 0.0000079500000000, -0.0002713400000000 ] - [ -0.0005381000000000, 0.0000001000000000, -0.0004534200000000 ] - [ 0.0009182300000000, 0.0000979300000000, 0.0002551700000000 ] - [ -0.0000770900000000, 0.0002486800000000, -0.0000062300000000 ] - [ 0.0005198900000000, -0.0000433100000000, 0.0004446800000000 ] - [ 0.0009540400000000, 0.0000017600000000, 0.0003254500000000 ] - [ -0.0009501000000000, 0.0000047200000000, -0.0003239500000000 ] - [ 0.0001734000000000, 0.0000021600000000, 0.0002712400000000 ] - [ 0.0028966200000000, -0.0032944900000000, 0.0003366000000000 ] - [ -0.0005591500000000, 0.0010464300000000, -0.0002086500000000 ] - [ -0.0001426700000000, 0.0003473600000000, 0.0002072900000000 ] - [ 0.0001726600000000, 0.0000122600000000, 0.0000380100000000 ] - [ 0.0001045300000000, -0.0000006100000000, 0.0001085000000000 ] - [ -0.0002839100000000, -0.0000502900000000, -0.0000348800000000 ] - [ -0.0000477400000000, 0.0000818300000000, 0.0002616800000000 ] - [ -0.0007844800000000, 0.0065759900000000, 0.0006759100000000 ] - [ -0.0002069700000000, 0.0000095300000000, 0.0000416700000000 ] - [ 0.0009399300000000, 0.0056914400000000, -0.0007158800000000 ] - [ -0.0018806800000000, -0.0032858300000000, -0.0003347100000000 ] - [ 0.0002965300000000, 0.0003533500000000, -0.0005534000000000 ] - [ -0.0000109700000000, -0.0004728900000000, 0.0000050100000000 ] - [ -0.0003330300000000, 0.0007009700000000, 0.0005247400000000 ] - [ -0.0001070100000000, 0.0002494600000000, -0.0001148900000000 ] - [ 0.0006660100000000, -0.0000292200000000, 0.0002338800000000 ] - [ 0.0002819100000000, 0.0000161700000000, -0.0000115400000000 ] - [ -0.0009151900000000, 0.0003543700000000, 0.0000150200000000 ] - [ -0.0003774500000000, 0.0005324500000000, -0.0007616200000000 ] - [ -0.0001790800000000, 0.0002143200000000, -0.0000361400000000 ] - [ 0.0009551700000000, 0.0001097900000000, 0.0001490200000000 ] - [ 0.0002043900000000, -0.0000453200000000, 0.0000039500000000 ] - [ 0.0000486000000000, -0.0000908800000000, -0.0002643000000000 ] - [ 0.0004645100000000, 0.0046670700000000, 0.0003698600000000 ] - [ -0.0000357200000000, 0.0004615200000000, -0.0000077200000000 ] - [ -0.0030640400000000, -0.0031938600000000, -0.0000464600000000 ] - [ -0.0003947300000000, 0.0002410800000000, -0.0005470700000000 ] - [ 0.0025498000000000, -0.0029588800000000, 0.0005861200000000 ] - [ -0.0009210400000000, -0.0037561400000000, -0.0002284300000000 ] - [ 0.0006460300000000, 0.0000793900000000, 0.0002966000000000 ] - [ -0.0000767500000000, 0.0000065400000000, 0.0001734600000000 ] - [ -0.0005482100000000, 0.0000104900000000, -0.0001989800000000 ] - [ 0.0000745400000000, -0.0000018700000000, -0.0001756400000000 ] - [ 0.0001834500000000, 0.0019952000000000, 0.0000427300000000 ] - [ 0.0001012200000000, -0.0000003900000000, 0.0001080800000000 ] - [ -0.0001456700000000, -0.0001502500000000, -0.0000767100000000 ] - [ -0.0000507500000000, -0.0000361700000000, 0.0002629400000000 ] - [ 0.0000246300000000, 0.0004669300000000, 0.0000077900000000 ] - [ -0.0003474500000000, -0.0000879900000000, 0.0000788000000000 ] - [ 0.0000244300000000, -0.0004645600000000, 0.0000007100000000 ] - [ 0.0003378900000000, -0.0001052000000000, 0.0001081900000000 ] - [ 0.0000746400000000, 0.0000022500000000, -0.0001745500000000 ] - [ 0.0000089400000000, -0.0004715900000000, 0.0000291600000000 ] - [ -0.0003066900000000, 0.0001233300000000, -0.0001132900000000 ] - [ -0.0001033900000000, 0.0000003800000000, -0.0001084900000000 ] - [ 0.0006541100000000, -0.0000550300000000, 0.0002654000000000 ] - [ 0.0002483700000000, 0.0000280100000000, -0.0000036300000000 ] - [ -0.0006560100000000, 0.0000553400000000, -0.0002662200000000 ] - [ -0.0003760300000000, -0.0000835500000000, -0.0001033900000000 ] - [ -0.0001725600000000, 0.0000051300000000, -0.0000373000000000 ] - [ 0.0009470600000000, 0.0000015000000000, 0.0001453500000000 ] - [ 0.0002479200000000, -0.0000284300000000, -0.0000030100000000 ] - [ 0.0000490900000000, -0.0000004000000000, -0.0002648500000000 ] - [ 0.0005457900000000, -0.0000005200000000, 0.0001978900000000 ] - [ -0.0000609800000000, 0.0004623500000000, -0.0000354400000000 ] - [ -0.0000757000000000, -0.0000067200000000, 0.0001755000000000 ] - [ -0.0006555600000000, -0.0000560800000000, -0.0002654600000000 ] - [ 0.0003417100000000, 0.0001039800000000, 0.0001074600000000 ] - [ -0.0009465100000000, -0.0000002800000000, -0.0001435800000000 ] - [ 0.0006532100000000, 0.0000527400000000, 0.0002643800000000 ] - [ 0.0000573500000000, 0.0000126800000000, -0.0001515300000000 ] - [ 0.0002044000000000, -0.0000071300000000, 0.0001679500000000 ] - [ -0.0000570200000000, -0.0000094400000000, 0.0001522900000000 ] - [ -0.0002021300000000, -0.0002459100000000, -0.0001720600000000 ] - [ 0.0000603300000000, -0.0000013500000000, -0.0001539200000000 ] - [ 0.0002060500000000, -0.0000001000000000, 0.0001694500000000 ] - [ -0.0000591300000000, -0.0000028000000000, 0.0001522700000000 ] - [ -0.0002048000000000, 0.0000038000000000, -0.0001715000000000 ]- atom: 4 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0005845100000000, 0.0000000000000000, 0.0078321100000000 ] - [ 0.0007909400000000, 0.0000000000000000, 0.0012851100000000 ] - [ 0.0048785200000000, 0.0000000000000000, 0.0075218100000000 ] - [ 0.0079522300000000, 0.0000000000000000, -0.0575768400000000 ] - [ -0.0077799100000000, 0.0000000000000000, 0.0035097700000000 ] - [ -0.0015129900000000, 0.0000000000000000, -0.0008485600000000 ] - [ 0.0001666000000000, 0.0000000000000000, 0.0006775900000000 ] - [ -0.0014488900000000, 0.0000000000000000, 0.0037486300000000 ] - [ -0.0004429300000000, 0.0000000000000000, 0.0006629000000000 ] - [ -0.0003827200000000, 0.0000000000000000, -0.0005010500000000 ] - [ 0.0006473700000000, 0.0000000000000000, -0.0006485800000000 ] - [ 0.0044484200000000, 0.0000000000000000, -0.0059564300000000 ] - [ 0.0059401100000000, 0.0000000000000000, 0.0146721900000000 ] - [ 0.0084054300000000, 0.0000000000000000, -0.0069206000000000 ] - [ -0.0114085800000000, 0.0000000000000000, 0.0070043200000000 ] - [ -0.0020554300000000, 0.0000000000000000, 0.0052097400000000 ] - [ -0.0002072600000000, 0.0000000000000000, 0.0000203300000000 ] - [ -0.0029284400000000, 0.0000000000000000, -0.0003881600000000 ] - [ 0.0007813600000000, 0.0000000000000000, -0.0008891800000000 ] - [ 0.0018124500000000, 0.0000000000000000, 0.0024024800000000 ] - [ 0.0034839700000000, 0.0000000000000000, 0.0015641600000000 ] - [ -0.0112834600000000, 0.0000000000000000, -0.0041895700000000 ] - [ -0.0045663900000000, 0.0000000000000000, 0.0008281800000000 ] - [ 0.0034601300000000, 0.0000000000000000, 0.0039023300000000 ] - [ -0.0009656400000000, 0.0000000000000000, -0.0002982400000000 ] - [ 0.0018750800000000, 0.0000000000000000, 0.0006994900000000 ] - [ -0.0150060900000000, 0.0000000000000000, -0.0065412800000000 ] - [ 0.0001083300000000, 0.0000000000000000, 0.0027824700000000 ] - [ 0.0001175000000000, 0.0000000000000000, 0.0002924000000000 ] - [ 0.0111110700000000, 0.0000000000000000, 0.0016563900000000 ] - [ -0.0000099400000000, 0.0000000000000000, 0.0000423100000000 ] - [ -0.0011174900000000, 0.0000000000000000, -0.0003037000000000 ] - [ 0.0002994700000000, 0.0000000000000000, -0.0002781200000000 ] - [ -0.0009141500000000, 0.0000000000000000, -0.0006430800000000 ] - [ 0.0047505300000000, 0.0000000000000000, 0.0013653900000000 ] - [ -0.0023657600000000, 0.0000000000000000, -0.0006793900000000 ] - [ 0.0000266200000000, 0.0000000000000000, 0.0001299900000000 ] - [ 0.0012184100000000, 0.0000000000000000, 0.0004495800000000 ] - [ -0.0004008600000000, 0.0000000000000000, -0.0000691100000000 ] - [ -0.0002647000000000, 0.0000000000000000, 0.0002364500000000 ] - [ -0.0038706300000000, 0.0037090400000000, 0.0040937900000000 ] - [ -0.0043400100000000, 0.0000000000000000, 0.0101272300000000 ] - [ 0.0014328700000000, -0.0002284200000000, -0.0032605100000000 ] - [ -0.0001376600000000, 0.0000000000000000, 0.0012122700000000 ] - [ -0.0005801100000000, 0.0000000000000000, -0.0007003100000000 ] - [ -0.0014097500000000, 0.0002917800000000, -0.0003724300000000 ] - [ -0.0023984200000000, 0.0000000000000000, 0.0007699400000000 ] - [ 0.0011306400000000, 0.0016144400000000, 0.0048637800000000 ] - [ -0.0014097500000000, -0.0002917800000000, -0.0003724300000000 ] - [ 0.0011306400000000, -0.0016144400000000, 0.0048637800000000 ] - [ -0.0011958500000000, -0.0044097500000000, 0.0027939500000000 ] - [ 0.0014328700000000, 0.0002284200000000, -0.0032605100000000 ] - [ 0.0014085600000000, -0.0004798100000000, -0.0005606300000000 ] - [ 0.0045355800000000, 0.0044516500000000, 0.0046513300000000 ] - [ 0.0012572900000000, 0.0000000000000000, -0.0023401900000000 ] - [ 0.0004111100000000, 0.0002996800000000, -0.0016464200000000 ] - [ -0.0016163600000000, 0.0004404000000000, -0.0013850000000000 ] - [ 0.0000497000000000, 0.0002656800000000, -0.0034562200000000 ] - [ 0.0045355800000000, -0.0044516500000000, 0.0046513300000000 ] - [ -0.0045443000000000, 0.0000000000000000, 0.0001248400000000 ] - [ 0.0046928800000000, 0.0000000000000000, -0.0013848700000000 ] - [ -0.0016163600000000, -0.0004404000000000, -0.0013850000000000 ] - [ -0.0015195000000000, 0.0000000000000000, -0.0032098500000000 ] - [ 0.0009552900000000, 0.0000000000000000, 0.0084856600000000 ] - [ 0.0014085600000000, 0.0004798100000000, -0.0005606300000000 ] - [ -0.0038706300000000, -0.0037090400000000, 0.0040937900000000 ] - [ 0.0000497000000000, -0.0002656800000000, -0.0034562200000000 ] - [ -0.0011958500000000, 0.0044097500000000, 0.0027939500000000 ] - [ -0.0024435900000000, 0.0000000000000000, 0.0028102700000000 ] - [ 0.0004111100000000, -0.0002996800000000, -0.0016464200000000 ] - [ 0.0003472600000000, 0.0000430100000000, 0.0002438100000000 ] - [ -0.0001259100000000, 0.0000000000000000, 0.0001270000000000 ] - [ -0.0000733100000000, 0.0001240500000000, -0.0002355200000000 ] - [ 0.0062294900000000, 0.0000000000000000, 0.0025403100000000 ] - [ -0.0002201300000000, 0.0000000000000000, -0.0004938900000000 ] - [ 0.0016907900000000, 0.0000543600000000, -0.0001704100000000 ] - [ 0.0016486700000000, 0.0000000000000000, 0.0008396300000000 ] - [ 0.0001569000000000, 0.0005261900000000, 0.0003348800000000 ] - [ 0.0016907900000000, -0.0000543600000000, -0.0001704100000000 ] - [ 0.0001569000000000, -0.0005261900000000, 0.0003348800000000 ] - [ 0.0006290700000000, -0.0000480500000000, 0.0002355000000000 ] - [ -0.0000733100000000, -0.0001240500000000, -0.0002355200000000 ] - [ -0.0015472800000000, -0.0014337600000000, -0.0003721500000000 ] - [ -0.0002870600000000, 0.0005018200000000, 0.0007735000000000 ] - [ -0.0003771400000000, 0.0000000000000000, -0.0001256400000000 ] - [ 0.0003224700000000, 0.0000411400000000, -0.0000950300000000 ] - [ 0.0004312200000000, 0.0001016300000000, -0.0003959900000000 ] - [ -0.0007517600000000, 0.0001334500000000, -0.0004402100000000 ] - [ -0.0002870600000000, -0.0005018200000000, 0.0007735000000000 ] - [ 0.0012709500000000, 0.0000000000000000, 0.0003597700000000 ] - [ 0.0003652200000000, 0.0000000000000000, 0.0002482900000000 ] - [ 0.0004312200000000, -0.0001016300000000, -0.0003959900000000 ] - [ 0.0000989200000000, 0.0000000000000000, -0.0003105800000000 ] - [ 0.0007601300000000, 0.0000000000000000, 0.0005176600000000 ] - [ -0.0015472800000000, 0.0014337600000000, -0.0003721500000000 ] - [ 0.0003472600000000, -0.0000430100000000, 0.0002438100000000 ] - [ -0.0007517600000000, -0.0001334500000000, -0.0004402100000000 ] - [ 0.0006290700000000, 0.0000480500000000, 0.0002355000000000 ] - [ -0.0006277500000000, 0.0000000000000000, -0.0000061700000000 ] - [ 0.0003224700000000, -0.0000411400000000, -0.0000950300000000 ] - [ 0.0011326700000000, 0.0000000000000000, -0.0035173100000000 ] - [ 0.0009077500000000, 0.0000000000000000, -0.0040628900000000 ] - [ -0.0006562800000000, 0.0000000000000000, -0.0016517900000000 ] - [ -0.0019524900000000, 0.0000000000000000, -0.0009377800000000 ] - [ -0.0001699500000000, 0.0000000000000000, -0.0004431800000000 ] - [ 0.0001552300000000, 0.0000000000000000, -0.0002005500000000 ] - [ 0.0001954400000000, 0.0000000000000000, -0.0010515200000000 ] - [ 0.0002065500000000, 0.0000000000000000, -0.0006906000000000 ]- atom: 4 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0005506600000000, 0.0000000000000000, -0.0075139800000000 ] - [ -0.0007921300000000, 0.0000000000000000, -0.0012788700000000 ] - [ -0.0048700200000000, 0.0000000000000000, -0.0078431700000000 ] - [ -0.0080279600000000, 0.0000000000000000, 0.0572463500000000 ] - [ 0.0080356200000000, 0.0000000000000000, -0.0035377700000000 ] - [ 0.0015133100000000, 0.0000000000000000, 0.0008447400000000 ] - [ -0.0002091900000000, 0.0000000000000000, -0.0003639400000000 ] - [ 0.0014614300000000, 0.0000000000000000, -0.0037448100000000 ] - [ 0.0004780200000000, 0.0000000000000000, -0.0009770400000000 ] - [ 0.0000968500000000, 0.0000000000000000, 0.0005157400000000 ] - [ -0.0003633600000000, 0.0000000000000000, 0.0006331900000000 ] - [ -0.0044601600000000, 0.0000000000000000, 0.0059338300000000 ] - [ -0.0051696100000000, 0.0000000000000000, -0.0156007000000000 ] - [ -0.0090827400000000, 0.0000000000000000, 0.0078987400000000 ] - [ 0.0113647500000000, 0.0000000000000000, -0.0081662300000000 ] - [ 0.0021342700000000, 0.0000000000000000, -0.0039972200000000 ] - [ 0.0009000500000000, 0.0000000000000000, -0.0009977600000000 ] - [ 0.0022157000000000, 0.0000000000000000, 0.0013647300000000 ] - [ -0.0008745800000000, 0.0000000000000000, -0.0003067800000000 ] - [ -0.0017130900000000, 0.0000000000000000, -0.0011988400000000 ] - [ -0.0033363700000000, 0.0000000000000000, -0.0015544000000000 ] - [ 0.0093756100000000, 0.0000000000000000, 0.0036834000000000 ] - [ 0.0041593100000000, 0.0000000000000000, -0.0013618500000000 ] - [ -0.0045487200000000, 0.0000000000000000, -0.0048308100000000 ] - [ 0.0027879300000000, 0.0000000000000000, 0.0008045200000000 ] - [ -0.0020080400000000, 0.0000000000000000, -0.0007022300000000 ] - [ 0.0160070600000000, 0.0000000000000000, 0.0074265600000000 ] - [ 0.0018466400000000, 0.0000000000000000, -0.0021365200000000 ] - [ -0.0020537200000000, 0.0000000000000000, -0.0009535900000000 ] - [ -0.0107569700000000, 0.0000000000000000, -0.0010908700000000 ] - [ 0.0001403500000000, 0.0000000000000000, -0.0000403700000000 ] - [ -0.0007163500000000, 0.0000000000000000, -0.0002054800000000 ] - [ -0.0006785700000000, 0.0000000000000000, -0.0002654100000000 ] - [ -0.0001323100000000, 0.0000000000000000, -0.0002498000000000 ] - [ -0.0029194700000000, 0.0000000000000000, -0.0008553900000000 ] - [ 0.0022257600000000, 0.0000000000000000, 0.0006733500000000 ] - [ 0.0010062700000000, 0.0000000000000000, 0.0007573100000000 ] - [ 0.0007165400000000, 0.0000000000000000, 0.0002114500000000 ] - [ -0.0015303100000000, 0.0000000000000000, -0.0005909400000000 ] - [ 0.0006313400000000, 0.0000000000000000, 0.0003067900000000 ] - [ 0.0036134600000000, -0.0037901900000000, -0.0038350000000000 ] - [ 0.0029000300000000, 0.0000000000000000, -0.0104053500000000 ] - [ -0.0012741500000000, 0.0002172700000000, 0.0028946500000000 ] - [ 0.0004854600000000, 0.0000000000000000, -0.0011340600000000 ] - [ 0.0007857400000000, 0.0000000000000000, 0.0009130600000000 ] - [ 0.0009130000000000, -0.0003464100000000, 0.0003776800000000 ] - [ 0.0022966100000000, 0.0000000000000000, -0.0002476600000000 ] - [ -0.0010147600000000, -0.0007089200000000, -0.0048914900000000 ] - [ 0.0009130000000000, 0.0003464100000000, 0.0003776800000000 ] - [ -0.0010147600000000, 0.0007089200000000, -0.0048914900000000 ] - [ 0.0020368900000000, 0.0040790900000000, -0.0023608900000000 ] - [ -0.0012741500000000, -0.0002172700000000, 0.0028946500000000 ] - [ -0.0014533600000000, -0.0004524900000000, 0.0005586000000000 ] - [ -0.0052101700000000, -0.0042468500000000, -0.0048674900000000 ] - [ -0.0014728800000000, 0.0000000000000000, 0.0021326600000000 ] - [ 0.0009046700000000, -0.0004136400000000, 0.0021766700000000 ] - [ 0.0021032600000000, -0.0003798500000000, 0.0013775900000000 ] - [ -0.0013703800000000, -0.0001532900000000, 0.0029335000000000 ] - [ -0.0052101700000000, 0.0042468500000000, -0.0048674900000000 ] - [ 0.0041844700000000, 0.0000000000000000, -0.0001871600000000 ] - [ -0.0027895000000000, 0.0000000000000000, 0.0016752100000000 ] - [ 0.0021032600000000, 0.0003798500000000, 0.0013775900000000 ] - [ 0.0016161500000000, 0.0000000000000000, 0.0026869200000000 ] - [ 0.0001570700000000, 0.0000000000000000, -0.0079574200000000 ] - [ -0.0014533600000000, 0.0004524900000000, 0.0005586000000000 ] - [ 0.0036134600000000, 0.0037901900000000, -0.0038350000000000 ] - [ -0.0013703800000000, 0.0001532900000000, 0.0029335000000000 ] - [ 0.0020368900000000, -0.0040790900000000, -0.0023608900000000 ] - [ 0.0005538300000000, 0.0000000000000000, -0.0032226700000000 ] - [ 0.0009046700000000, 0.0004136400000000, 0.0021766700000000 ] - [ -0.0004940400000000, -0.0000376500000000, 0.0001049400000000 ] - [ -0.0009708200000000, 0.0000000000000000, -0.0005230200000000 ] - [ 0.0002243600000000, -0.0001288800000000, -0.0001136400000000 ] - [ -0.0058497800000000, 0.0000000000000000, -0.0024524800000000 ] - [ 0.0004112900000000, 0.0000000000000000, 0.0007055900000000 ] - [ -0.0021853100000000, -0.0001118000000000, 0.0001695200000000 ] - [ -0.0017530900000000, 0.0000000000000000, -0.0003161700000000 ] - [ -0.0001070900000000, 0.0004050900000000, -0.0003300400000000 ] - [ -0.0021853100000000, 0.0001118000000000, 0.0001695200000000 ] - [ -0.0001070900000000, -0.0004050900000000, -0.0003300400000000 ] - [ 0.0000566300000000, -0.0001545200000000, -0.0000134700000000 ] - [ 0.0002243600000000, 0.0001288800000000, -0.0001136400000000 ] - [ 0.0014990000000000, 0.0005009800000000, 0.0003731200000000 ] - [ -0.0003929000000000, -0.0002986000000000, -0.0009922700000000 ] - [ 0.0001782700000000, 0.0000000000000000, -0.0000866400000000 ] - [ 0.0009808800000000, -0.0001471700000000, 0.0006232300000000 ] - [ 0.0000655600000000, -0.0000435400000000, 0.0003881300000000 ] - [ -0.0005573500000000, -0.0000222900000000, -0.0000920900000000 ] - [ -0.0003929000000000, 0.0002986000000000, -0.0009922700000000 ] - [ -0.0016115400000000, 0.0000000000000000, -0.0004292000000000 ] - [ 0.0015230600000000, 0.0000000000000000, 0.0000458200000000 ] - [ 0.0000655600000000, 0.0000435400000000, 0.0003881300000000 ] - [ 0.0000091300000000, 0.0000000000000000, -0.0002144000000000 ] - [ 0.0003411400000000, 0.0000000000000000, -0.0001176000000000 ] - [ 0.0014990000000000, -0.0005009800000000, 0.0003731200000000 ] - [ -0.0004940400000000, 0.0000376500000000, 0.0001049400000000 ] - [ -0.0005573500000000, 0.0000222900000000, -0.0000920900000000 ] - [ 0.0000566300000000, 0.0001545200000000, -0.0000134700000000 ] - [ -0.0012540800000000, 0.0000000000000000, -0.0002833200000000 ] - [ 0.0009808800000000, 0.0001471700000000, 0.0006232300000000 ] - [ -0.0010214900000000, 0.0000000000000000, 0.0032112600000000 ] - [ -0.0005024200000000, 0.0000000000000000, 0.0044009800000000 ] - [ 0.0005454700000000, 0.0000000000000000, 0.0019489300000000 ] - [ 0.0015444000000000, 0.0000000000000000, 0.0005867900000000 ] - [ 0.0002853200000000, 0.0000000000000000, 0.0001424700000000 ] - [ 0.0002553600000000, 0.0000000000000000, 0.0005366500000000 ] - [ -0.0003125000000000, 0.0000000000000000, 0.0013465700000000 ] - [ -0.0006148900000000, 0.0000000000000000, 0.0003457500000000 ]- atom: 6 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0015242600000000, 0.0000000000000000, 0.0012430300000000 ] - [ -0.0040601500000000, 0.0000000000000000, -0.0012962300000000 ] - [ 0.0001100100000000, 0.0000000000000000, -0.0014347000000000 ] - [ 0.0043062900000000, 0.0000000000000000, -0.0011466400000000 ] - [ 0.0054845800000000, 0.0000000000000000, 0.0049221700000000 ] - [ -0.0448450700000000, 0.0000000000000000, -0.0052339800000000 ] - [ 0.0000721200000000, 0.0000000000000000, -0.0011028900000000 ] - [ 0.0023085400000000, 0.0000000000000000, 0.0004438800000000 ] - [ 0.0015719900000000, 0.0000000000000000, 0.0009222100000000 ] - [ 0.0051898600000000, 0.0000000000000000, 0.0048899700000000 ] - [ 0.0045853800000000, 0.0000000000000000, -0.0011510500000000 ] - [ 0.0032192400000000, 0.0000000000000000, 0.0001182700000000 ] - [ 0.0048439200000000, 0.0000000000000000, 0.0005266400000000 ] - [ -0.0047235400000000, 0.0000000000000000, -0.0127560200000000 ] - [ 0.0039006000000000, 0.0000000000000000, -0.0009559900000000 ] - [ -0.0048487700000000, 0.0000000000000000, 0.0074489900000000 ] - [ -0.0039598400000000, 0.0000000000000000, -0.0136857700000000 ] - [ 0.0041514900000000, 0.0000000000000000, 0.0014893900000000 ] - [ -0.0049119000000000, 0.0000000000000000, 0.0062664200000000 ] - [ 0.0039890300000000, 0.0000000000000000, 0.0002690500000000 ] - [ 0.0028348600000000, 0.0000000000000000, 0.0009038200000000 ] - [ 0.0025949500000000, 0.0000000000000000, 0.0008302000000000 ] - [ 0.0027738100000000, 0.0000000000000000, 0.0000812700000000 ] - [ 0.0035692100000000, 0.0000000000000000, 0.0013685100000000 ] - [ -0.0219641800000000, 0.0000000000000000, -0.0031314700000000 ] - [ -0.0079836100000000, 0.0000000000000000, -0.0033031300000000 ] - [ 0.0203559700000000, 0.0000000000000000, 0.0035994200000000 ] - [ 0.0027505500000000, 0.0000000000000000, 0.0008818300000000 ] - [ -0.0014429300000000, 0.0000000000000000, -0.0005052600000000 ] - [ 0.0036283100000000, 0.0000000000000000, 0.0004245800000000 ] - [ -0.0077954400000000, 0.0000000000000000, -0.0032893300000000 ] - [ -0.0236611800000000, 0.0000000000000000, -0.0035850000000000 ] - [ 0.0032526200000000, 0.0000000000000000, -0.0001169400000000 ] - [ 0.0190556000000000, 0.0000000000000000, 0.0027568700000000 ] - [ 0.0044363200000000, 0.0000000000000000, 0.0013424100000000 ] - [ 0.0026907500000000, 0.0000000000000000, 0.0008936300000000 ] - [ 0.0046261300000000, 0.0000000000000000, 0.0022667300000000 ] - [ 0.0004781800000000, 0.0000000000000000, 0.0001520200000000 ] - [ 0.0008344200000000, 0.0000000000000000, 0.0002279400000000 ] - [ 0.0031510500000000, 0.0000000000000000, 0.0006226500000000 ] - [ -0.0015285600000000, 0.0004901800000000, 0.0012474300000000 ] - [ -0.0083601500000000, 0.0000000000000000, -0.0030332600000000 ] - [ -0.0018827900000000, 0.0001401600000000, -0.0009196600000000 ] - [ 0.0187026900000000, 0.0000000000000000, 0.0029587400000000 ] - [ 0.0012163400000000, 0.0000000000000000, -0.0007606000000000 ] - [ 0.0042687200000000, -0.0007591300000000, 0.0009437600000000 ] - [ 0.0041411000000000, 0.0000000000000000, 0.0043478000000000 ] - [ -0.0018354600000000, -0.0000792100000000, -0.0002377100000000 ] - [ 0.0042687200000000, 0.0007591300000000, 0.0009437600000000 ] - [ -0.0018354600000000, 0.0000792100000000, -0.0002377100000000 ] - [ -0.0016514300000000, -0.0009391900000000, -0.0006604700000000 ] - [ -0.0018827900000000, -0.0001401600000000, -0.0009196600000000 ] - [ 0.0084902700000000, 0.0023587900000000, -0.0000418200000000 ] - [ -0.0019709700000000, 0.0011085700000000, 0.0019096800000000 ] - [ -0.0015836900000000, 0.0000000000000000, -0.0003837800000000 ] - [ 0.0008028000000000, -0.0002847900000000, 0.0001840000000000 ] - [ -0.0015033400000000, 0.0002679200000000, -0.0004276500000000 ] - [ -0.0016044400000000, 0.0003501700000000, -0.0004416200000000 ] - [ -0.0019709700000000, -0.0011085700000000, 0.0019096800000000 ] - [ -0.0032717300000000, 0.0000000000000000, -0.0003700300000000 ] - [ -0.0005745700000000, 0.0000000000000000, -0.0017484500000000 ] - [ -0.0015033400000000, -0.0002679200000000, -0.0004276500000000 ] - [ -0.0020350700000000, 0.0000000000000000, -0.0009565700000000 ] - [ -0.0030849000000000, 0.0000000000000000, -0.0004469600000000 ] - [ 0.0084902700000000, -0.0023587900000000, -0.0000418200000000 ] - [ -0.0015285600000000, -0.0004901800000000, 0.0012474300000000 ] - [ -0.0016044400000000, -0.0003501700000000, -0.0004416200000000 ] - [ -0.0016514300000000, 0.0009391900000000, -0.0006604700000000 ] - [ -0.0040883500000000, 0.0000000000000000, 0.0002766800000000 ] - [ 0.0008028000000000, 0.0002847900000000, 0.0001840000000000 ] - [ -0.0020303900000000, 0.0001485600000000, -0.0005691100000000 ] - [ -0.0041754900000000, 0.0000000000000000, -0.0008405000000000 ] - [ -0.0013884100000000, 0.0004876200000000, 0.0008934500000000 ] - [ -0.0029229900000000, 0.0000000000000000, -0.0002945500000000 ] - [ -0.0013796500000000, 0.0000000000000000, -0.0001683100000000 ] - [ -0.0019953000000000, 0.0002042100000000, -0.0004211100000000 ] - [ -0.0021432300000000, 0.0000000000000000, -0.0004327200000000 ] - [ 0.0084329700000000, 0.0033141700000000, -0.0001295700000000 ] - [ -0.0019953000000000, -0.0002042100000000, -0.0004211100000000 ] - [ 0.0084329700000000, -0.0033141700000000, -0.0001295700000000 ] - [ -0.0015319400000000, 0.0009549500000000, 0.0021863000000000 ] - [ -0.0013884100000000, -0.0004876200000000, 0.0008934500000000 ] - [ -0.0018799300000000, -0.0010126100000000, -0.0002434400000000 ] - [ -0.0023295000000000, -0.0007318600000000, -0.0008750800000000 ] - [ 0.0010029300000000, 0.0000000000000000, -0.0009838900000000 ] - [ -0.0002994000000000, 0.0002465800000000, 0.0000884300000000 ] - [ 0.0047455300000000, -0.0006917600000000, 0.0009402300000000 ] - [ -0.0005176900000000, -0.0001760900000000, -0.0003493000000000 ] - [ -0.0023295000000000, 0.0007318600000000, -0.0008750800000000 ] - [ 0.0183511800000000, 0.0000000000000000, 0.0029359400000000 ] - [ -0.0021943600000000, 0.0000000000000000, 0.0005691100000000 ] - [ 0.0047455300000000, 0.0006917600000000, 0.0009402300000000 ] - [ 0.0042241000000000, 0.0000000000000000, 0.0038008600000000 ] - [ -0.0072366300000000, 0.0000000000000000, -0.0026544000000000 ] - [ -0.0018799300000000, 0.0010126100000000, -0.0002434400000000 ] - [ -0.0020303900000000, -0.0001485600000000, -0.0005691100000000 ] - [ -0.0005176900000000, 0.0001760900000000, -0.0003493000000000 ] - [ -0.0015319400000000, -0.0009549500000000, 0.0021863000000000 ] - [ -0.0024793100000000, 0.0000000000000000, -0.0020286500000000 ] - [ -0.0002994000000000, -0.0002465800000000, 0.0000884300000000 ] - [ -0.0009267100000000, 0.0000000000000000, -0.0002201800000000 ] - [ -0.0006844400000000, 0.0000000000000000, -0.0001962600000000 ] - [ 0.0015375400000000, 0.0000000000000000, -0.0001487300000000 ] - [ 0.0001866800000000, 0.0000000000000000, 0.0014997600000000 ] - [ 0.0016507700000000, 0.0000000000000000, -0.0004569800000000 ] - [ 0.0005916900000000, 0.0000000000000000, 0.0018356400000000 ] - [ -0.0010449900000000, 0.0000000000000000, 0.0000846700000000 ] - [ -0.0010937000000000, 0.0000000000000000, -0.0005353900000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000315000000000, -0.0000018400000000, 0.0001694600000000 ] - [ 0.0000000000000000, 0.0000930100000000, 0.0000000000000000 ] - [ 0.0000331100000000, -0.0000124000000000, -0.0001680500000000 ] - [ -0.0001445100000000, -0.0000271500000000, 0.0000044000000000 ] - [ 0.0001507500000000, 0.0012906800000000, -0.0000086100000000 ] - [ 0.0000000000000000, -0.0289717900000000, 0.0000000000000000 ] - [ -0.0000331100000000, -0.0000124000000000, 0.0001680500000000 ] - [ 0.0000000000000000, -0.0000009900000000, 0.0000000000000000 ] - [ 0.0000315000000000, -0.0000018400000000, -0.0001694600000000 ] - [ -0.0001507500000000, 0.0012906800000000, 0.0000086100000000 ] - [ 0.0001445100000000, -0.0000271500000000, -0.0000044000000000 ] - [ 0.0000000000000000, 0.0000007900000000, 0.0000000000000000 ] - [ 0.0003567600000000, 0.0000044600000000, -0.0004852900000000 ] - [ -0.0003266900000000, 0.0031909400000000, 0.0004780200000000 ] - [ -0.0000454000000000, 0.0000011600000000, -0.0006060800000000 ] - [ 0.0000421400000000, -0.0019255400000000, 0.0006056200000000 ] - [ 0.0003266900000000, 0.0031909400000000, -0.0004780200000000 ] - [ -0.0003567600000000, 0.0000044600000000, 0.0004852900000000 ] - [ -0.0000421400000000, -0.0019255400000000, -0.0006056200000000 ] - [ 0.0000454000000000, 0.0000011600000000, 0.0006060800000000 ] - [ 0.0000832100000000, 0.0000042000000000, 0.0000076200000000 ] - [ -0.0009162600000000, -0.0000057900000000, -0.0002527000000000 ] - [ -0.0001879900000000, 0.0001011800000000, -0.0002711300000000 ] - [ -0.0005194600000000, -0.0000068900000000, -0.0004471300000000 ] - [ 0.0010392000000000, 0.0211320700000000, 0.0003812300000000 ] - [ -0.0000777300000000, -0.0012657700000000, 0.0000007800000000 ] - [ 0.0004755900000000, -0.0110611900000000, 0.0004463800000000 ] - [ 0.0009461300000000, -0.0000045100000000, 0.0003228000000000 ] - [ -0.0009463100000000, 0.0000201000000000, -0.0003231000000000 ] - [ 0.0001929600000000, 0.0002006500000000, 0.0002707800000000 ] - [ 0.0000777300000000, -0.0012657700000000, -0.0000007800000000 ] - [ -0.0010392000000000, 0.0211320700000000, -0.0003812300000000 ] - [ -0.0001929600000000, 0.0002006500000000, -0.0002707800000000 ] - [ -0.0004755900000000, -0.0110611900000000, -0.0004463800000000 ] - [ 0.0009162600000000, -0.0000057900000000, 0.0002527000000000 ] - [ -0.0000832100000000, 0.0000042000000000, -0.0000076200000000 ] - [ 0.0005194600000000, -0.0000068900000000, 0.0004471300000000 ] - [ 0.0009463100000000, 0.0000201000000000, 0.0003231000000000 ] - [ -0.0009461300000000, -0.0000045100000000, -0.0003228000000000 ] - [ 0.0001879900000000, 0.0001011800000000, 0.0002711300000000 ] - [ -0.0000028500000000, -0.0001033600000000, 0.0000823500000000 ] - [ -0.0005400300000000, 0.0019845100000000, -0.0001913100000000 ] - [ 0.0000361600000000, -0.0000252100000000, -0.0001961900000000 ] - [ 0.0002206000000000, -0.0022612100000000, -0.0000514000000000 ] - [ 0.0001169900000000, -0.0000800900000000, 0.0001145100000000 ] - [ -0.0005393100000000, 0.0003276400000000, 0.0003216500000000 ] - [ -0.0000566700000000, 0.0002339900000000, 0.0002567500000000 ] - [ 0.0000256600000000, 0.0004628900000000, 0.0000053100000000 ] - [ 0.0000528500000000, 0.0004019800000000, -0.0003121500000000 ] - [ 0.0000264300000000, -0.0004671900000000, 0.0000060600000000 ] - [ 0.0003432500000000, -0.0001058400000000, 0.0001078800000000 ] - [ 0.0001082300000000, -0.0000189500000000, -0.0001506400000000 ] - [ -0.0017308500000000, -0.0039549100000000, 0.0009212300000000 ] - [ 0.0017961300000000, 0.0046861100000000, -0.0003028100000000 ] - [ -0.0001226300000000, -0.0000000200000000, -0.0001172800000000 ] - [ 0.0006957700000000, -0.0000686800000000, 0.0002633400000000 ] - [ 0.0002396900000000, 0.0000400100000000, -0.0000045000000000 ] - [ -0.0006635800000000, 0.0000617100000000, -0.0002679100000000 ] - [ -0.0024210800000000, 0.0045194900000000, 0.0000637100000000 ] - [ -0.0001708300000000, -0.0000008300000000, -0.0000412600000000 ] - [ 0.0009494300000000, 0.0001456000000000, 0.0001450300000000 ] - [ 0.0002410700000000, -0.0000390200000000, -0.0000041200000000 ] - [ 0.0000532600000000, 0.0000001500000000, -0.0002614500000000 ] - [ 0.0005452200000000, 0.0000219500000000, 0.0001958300000000 ] - [ 0.0016604900000000, -0.0029252000000000, -0.0009062700000000 ] - [ -0.0001427200000000, -0.0001052800000000, 0.0002624800000000 ] - [ -0.0006617100000000, -0.0000602100000000, -0.0002685500000000 ] - [ 0.0003450600000000, 0.0001084800000000, 0.0001041500000000 ] - [ -0.0009518100000000, -0.0000295200000000, -0.0001444500000000 ] - [ 0.0006261900000000, 0.0000541600000000, 0.0002716700000000 ] - [ -0.0001082300000000, -0.0000189500000000, 0.0001506400000000 ] - [ -0.0005452200000000, 0.0000219500000000, -0.0001958300000000 ] - [ 0.0001427200000000, -0.0001052800000000, -0.0002624800000000 ] - [ 0.0001708300000000, -0.0000008300000000, 0.0000412600000000 ] - [ 0.0001226300000000, -0.0000000200000000, 0.0001172800000000 ] - [ -0.0002410700000000, -0.0000390200000000, 0.0000041200000000 ] - [ -0.0000532600000000, 0.0000001500000000, 0.0002614500000000 ] - [ -0.0016604900000000, -0.0029252000000000, 0.0009062700000000 ] - [ -0.0002396900000000, 0.0000400100000000, 0.0000045000000000 ] - [ 0.0017308500000000, -0.0039549100000000, -0.0009212300000000 ] - [ 0.0024210800000000, 0.0045194900000000, -0.0000637100000000 ] - [ 0.0000028500000000, -0.0001033600000000, -0.0000823500000000 ] - [ -0.0000264300000000, -0.0004671900000000, -0.0000060600000000 ] - [ -0.0003450600000000, 0.0001084800000000, -0.0001041500000000 ] - [ -0.0001169900000000, -0.0000800900000000, -0.0001145100000000 ] - [ 0.0006617100000000, -0.0000602100000000, 0.0002685500000000 ] - [ -0.0000528500000000, 0.0004019800000000, 0.0003121500000000 ] - [ -0.0006261900000000, 0.0000541600000000, -0.0002716700000000 ] - [ -0.0003432500000000, -0.0001058400000000, -0.0001078800000000 ] - [ -0.0002206000000000, -0.0022612100000000, 0.0000514000000000 ] - [ 0.0009518100000000, -0.0000295200000000, 0.0001444500000000 ] - [ 0.0005393100000000, 0.0003276400000000, -0.0003216500000000 ] - [ 0.0000566700000000, 0.0002339900000000, -0.0002567500000000 ] - [ 0.0005400300000000, 0.0019845100000000, 0.0001913100000000 ] - [ -0.0000256600000000, 0.0004628900000000, -0.0000053100000000 ] - [ -0.0000361600000000, -0.0000252100000000, 0.0001961900000000 ] - [ -0.0006957700000000, -0.0000686800000000, -0.0002633400000000 ] - [ -0.0017961300000000, 0.0046861100000000, 0.0003028100000000 ] - [ -0.0009494300000000, 0.0001456000000000, -0.0001450300000000 ] - [ 0.0006635800000000, 0.0000617100000000, 0.0002679100000000 ] - [ 0.0000524000000000, -0.0000002800000000, -0.0001542100000000 ] - [ 0.0002003000000000, -0.0000007900000000, 0.0001724800000000 ] - [ -0.0000522800000000, -0.0000016900000000, 0.0001528900000000 ] - [ -0.0002003100000000, 0.0000047500000000, -0.0001721600000000 ] - [ 0.0000522800000000, -0.0000016900000000, -0.0001528900000000 ] - [ 0.0002003100000000, 0.0000047500000000, 0.0001721600000000 ] - [ -0.0000524000000000, -0.0000002800000000, 0.0001542100000000 ] - [ -0.0002003000000000, -0.0000007900000000, -0.0001724800000000 ]- atom: 6 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0011115300000000, 0.0000000000000000, 0.0011999500000000 ] - [ -0.0009861900000000, 0.0000000000000000, 0.0079479800000000 ] - [ -0.0014071900000000, 0.0000000000000000, 0.0039619700000000 ] - [ -0.0016101700000000, 0.0000000000000000, -0.0008369600000000 ] - [ 0.0047960400000000, 0.0000000000000000, -0.0059399600000000 ] - [ -0.0014513300000000, 0.0000000000000000, -0.0434776200000000 ] - [ -0.0014775600000000, 0.0000000000000000, 0.0042832200000000 ] - [ 0.0001784500000000, 0.0000000000000000, 0.0005824900000000 ] - [ 0.0011626000000000, 0.0000000000000000, 0.0008748000000000 ] - [ 0.0045142900000000, 0.0000000000000000, -0.0059093900000000 ] - [ -0.0013096800000000, 0.0000000000000000, -0.0008490200000000 ] - [ -0.0001486400000000, 0.0000000000000000, -0.0005159500000000 ] - [ 0.0013669100000000, 0.0000000000000000, -0.0011502500000000 ] - [ -0.0117960700000000, 0.0000000000000000, 0.0065581900000000 ] - [ -0.0007102700000000, 0.0000000000000000, 0.0002698700000000 ] - [ 0.0060734000000000, 0.0000000000000000, 0.0140505300000000 ] - [ -0.0111424600000000, 0.0000000000000000, 0.0055439300000000 ] - [ 0.0006709600000000, 0.0000000000000000, -0.0001800100000000 ] - [ 0.0059178400000000, 0.0000000000000000, 0.0128045700000000 ] - [ -0.0006071900000000, 0.0000000000000000, 0.0014950900000000 ] - [ 0.0003974200000000, 0.0000000000000000, 0.0001456200000000 ] - [ -0.0012234400000000, 0.0000000000000000, -0.0003625400000000 ] - [ 0.0037407900000000, 0.0000000000000000, -0.0005094600000000 ] - [ -0.0010123400000000, 0.0000000000000000, -0.0006836700000000 ] - [ 0.0067566200000000, 0.0000000000000000, 0.0042019800000000 ] - [ -0.0022306400000000, 0.0000000000000000, 0.0021418000000000 ] - [ -0.0081519400000000, 0.0000000000000000, -0.0043825900000000 ] - [ 0.0010271600000000, 0.0000000000000000, 0.0004195400000000 ] - [ 0.0023831200000000, 0.0000000000000000, 0.0011416700000000 ] - [ -0.0024051700000000, 0.0000000000000000, 0.0001113900000000 ] - [ -0.0021138200000000, 0.0000000000000000, 0.0021649700000000 ] - [ 0.0049368300000000, 0.0000000000000000, 0.0037037300000000 ] - [ -0.0027851000000000, 0.0000000000000000, -0.0004284200000000 ] - [ -0.0091602000000000, 0.0000000000000000, -0.0052852200000000 ] - [ 0.0006178700000000, 0.0000000000000000, 0.0001487100000000 ] - [ 0.0002536100000000, 0.0000000000000000, 0.0001356300000000 ] - [ 0.0000445900000000, 0.0000000000000000, 0.0002167400000000 ] - [ 0.0042827400000000, 0.0000000000000000, 0.0017903200000000 ] - [ -0.0008808600000000, 0.0000000000000000, -0.0002327000000000 ] - [ 0.0041153600000000, 0.0000000000000000, 0.0000319900000000 ] - [ 0.0018647000000000, 0.0000746700000000, -0.0001470600000000 ] - [ 0.0047068300000000, 0.0000000000000000, 0.0033832400000000 ] - [ -0.0015047700000000, 0.0007326300000000, -0.0000608900000000 ] - [ 0.0012588800000000, 0.0000000000000000, 0.0036446700000000 ] - [ -0.0015995700000000, 0.0000000000000000, -0.0027009100000000 ] - [ 0.0008112900000000, -0.0000468800000000, -0.0029076200000000 ] - [ 0.0019522000000000, 0.0000000000000000, -0.0014793900000000 ] - [ 0.0002831200000000, 0.0004878900000000, 0.0000643900000000 ] - [ 0.0008112900000000, 0.0000468800000000, -0.0029076200000000 ] - [ 0.0002831200000000, -0.0004878900000000, 0.0000643900000000 ] - [ 0.0005362600000000, 0.0000320600000000, 0.0005659400000000 ] - [ -0.0015047700000000, -0.0007326300000000, -0.0000608900000000 ] - [ -0.0035472000000000, -0.0033835100000000, 0.0006097800000000 ] - [ 0.0024203200000000, 0.0007739100000000, 0.0046101600000000 ] - [ -0.0001817800000000, 0.0000000000000000, -0.0002276600000000 ] - [ -0.0010636900000000, 0.0004724700000000, -0.0012478400000000 ] - [ 0.0001186000000000, 0.0001134900000000, -0.0001468600000000 ] - [ -0.0005813200000000, 0.0001487200000000, -0.0007839200000000 ] - [ 0.0024203200000000, -0.0007739100000000, 0.0046101600000000 ] - [ -0.0000332400000000, 0.0000000000000000, 0.0002304000000000 ] - [ -0.0034212300000000, 0.0000000000000000, 0.0008478500000000 ] - [ 0.0001186000000000, -0.0001134900000000, -0.0001468600000000 ] - [ -0.0003076700000000, 0.0000000000000000, -0.0002188900000000 ] - [ 0.0004487200000000, 0.0000000000000000, 0.0011165600000000 ] - [ -0.0035472000000000, 0.0033835100000000, 0.0006097800000000 ] - [ 0.0018647000000000, -0.0000746700000000, -0.0001470600000000 ] - [ -0.0005813200000000, -0.0001487200000000, -0.0007839200000000 ] - [ 0.0005362600000000, -0.0000320600000000, 0.0005659400000000 ] - [ 0.0012753100000000, 0.0000000000000000, -0.0001962400000000 ] - [ -0.0010636900000000, -0.0004724700000000, -0.0012478400000000 ] - [ -0.0016460800000000, 0.0007364700000000, 0.0002826000000000 ] - [ -0.0006476300000000, 0.0000000000000000, 0.0007260000000000 ] - [ 0.0020074700000000, 0.0000703100000000, -0.0004880100000000 ] - [ 0.0003154500000000, 0.0000000000000000, 0.0003073500000000 ] - [ 0.0000288800000000, 0.0000000000000000, -0.0000100400000000 ] - [ -0.0003753000000000, 0.0000516600000000, -0.0001421200000000 ] - [ -0.0004121900000000, 0.0000000000000000, 0.0003008300000000 ] - [ -0.0036048000000000, -0.0023700000000000, 0.0004690200000000 ] - [ -0.0003753000000000, -0.0000516600000000, -0.0001421200000000 ] - [ -0.0036048000000000, 0.0023700000000000, 0.0004690200000000 ] - [ 0.0030535600000000, 0.0005884600000000, 0.0048536500000000 ] - [ 0.0020074700000000, -0.0000703100000000, -0.0004880100000000 ] - [ 0.0002403000000000, -0.0004434300000000, 0.0000608900000000 ] - [ -0.0001453400000000, 0.0002343100000000, 0.0003499200000000 ] - [ -0.0018001400000000, 0.0000000000000000, -0.0029185100000000 ] - [ 0.0007345200000000, 0.0000447200000000, -0.0002513700000000 ] - [ 0.0013152400000000, 0.0000111100000000, -0.0029243500000000 ] - [ -0.0023743600000000, 0.0005785500000000, -0.0017812300000000 ] - [ -0.0001453400000000, -0.0002343100000000, 0.0003499200000000 ] - [ 0.0009230100000000, 0.0000000000000000, 0.0037042300000000 ] - [ 0.0031741100000000, 0.0000000000000000, 0.0000999000000000 ] - [ 0.0013152400000000, -0.0000111100000000, -0.0029243500000000 ] - [ 0.0020686400000000, 0.0000000000000000, -0.0020047700000000 ] - [ 0.0057804400000000, 0.0000000000000000, 0.0037612800000000 ] - [ 0.0002403000000000, 0.0004434300000000, 0.0000608900000000 ] - [ -0.0016460800000000, -0.0007364700000000, 0.0002826000000000 ] - [ -0.0023743600000000, -0.0005785500000000, -0.0017812300000000 ] - [ 0.0030535600000000, -0.0005884600000000, 0.0048536500000000 ] - [ -0.0053086100000000, 0.0000000000000000, 0.0005462500000000 ] - [ 0.0007345200000000, -0.0000447200000000, -0.0002513700000000 ] - [ -0.0000521000000000, 0.0000000000000000, -0.0006385400000000 ] - [ -0.0000732000000000, 0.0000000000000000, -0.0000665200000000 ] - [ 0.0006521100000000, 0.0000000000000000, -0.0040958000000000 ] - [ 0.0009460100000000, 0.0000000000000000, -0.0032333300000000 ] - [ 0.0007697600000000, 0.0000000000000000, -0.0044016900000000 ] - [ 0.0013535100000000, 0.0000000000000000, -0.0028856200000000 ] - [ -0.0001632300000000, 0.0000000000000000, -0.0003326100000000 ] - [ -0.0004762000000000, 0.0000000000000000, -0.0004111100000000 ]- atom: 13 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0066076400000000, 0.0000000000000000, -0.0155704000000000 ] - [ 0.0039688400000000, 0.0000000000000000, -0.0006099500000000 ] - [ -0.0000645600000000, 0.0000000000000000, -0.0029463100000000 ] - [ -0.0056688300000000, 0.0000000000000000, 0.0051666500000000 ] - [ 0.0075917200000000, 0.0000000000000000, 0.0093481400000000 ] - [ 0.0044986600000000, 0.0000000000000000, 0.0013950400000000 ] - [ 0.0049370000000000, 0.0000000000000000, 0.0011671400000000 ] - [ -0.0061722500000000, 0.0000000000000000, 0.0095583600000000 ] - [ 0.0025745500000000, 0.0000000000000000, 0.0026260200000000 ] - [ 0.0037331900000000, 0.0000000000000000, -0.0002262900000000 ] - [ 0.0071282700000000, 0.0000000000000000, -0.0020142700000000 ] - [ -0.0043784800000000, 0.0000000000000000, -0.0118876400000000 ] - [ -0.1220585300000000, 0.0000000000000000, 0.0098693500000000 ] - [ 0.0017710700000000, 0.0000000000000000, 0.0031095300000000 ] - [ -0.0083341800000000, 0.0000000000000000, -0.0032526500000000 ] - [ 0.0121125100000000, 0.0000000000000000, -0.0036652900000000 ] - [ 0.0085526400000000, 0.0000000000000000, -0.0004548800000000 ] - [ 0.0003007700000000, 0.0000000000000000, -0.0015695200000000 ] - [ 0.0052537000000000, 0.0000000000000000, 0.0002355300000000 ] - [ 0.0124036200000000, 0.0000000000000000, 0.0086901000000000 ] - [ -0.0295759300000000, 0.0000000000000000, -0.0044299900000000 ] - [ -0.0094267300000000, 0.0000000000000000, -0.0033220200000000 ] - [ 0.0429680400000000, 0.0000000000000000, 0.0001644300000000 ] - [ -0.0084095100000000, 0.0000000000000000, 0.0005280900000000 ] - [ 0.0077274000000000, 0.0000000000000000, 0.0024317300000000 ] - [ 0.0027360500000000, 0.0000000000000000, 0.0007820300000000 ] - [ 0.0054691200000000, 0.0000000000000000, 0.0026424600000000 ] - [ -0.0054328100000000, 0.0000000000000000, -0.0023552700000000 ] - [ 0.0024189300000000, 0.0000000000000000, 0.0003951900000000 ] - [ -0.0032387000000000, 0.0000000000000000, 0.0002520500000000 ] - [ 0.0052788000000000, 0.0000000000000000, 0.0016666800000000 ] - [ 0.0035082400000000, 0.0000000000000000, 0.0011197100000000 ] - [ 0.0079572100000000, 0.0000000000000000, -0.0000181300000000 ] - [ 0.0041767400000000, 0.0000000000000000, 0.0015857300000000 ] - [ 0.0330096000000000, 0.0000000000000000, 0.0055283300000000 ] - [ -0.0017095500000000, 0.0000000000000000, -0.0003995800000000 ] - [ 0.0029544300000000, 0.0000000000000000, 0.0010888400000000 ] - [ 0.0046184200000000, 0.0000000000000000, 0.0015090900000000 ] - [ 0.0047699200000000, 0.0000000000000000, 0.0016922300000000 ] - [ 0.0042160300000000, 0.0000000000000000, 0.0004420300000000 ] - [ 0.0011783600000000, -0.0006998700000000, 0.0000871500000000 ] - [ -0.0027012800000000, 0.0000000000000000, -0.0048156900000000 ] - [ 0.0053235200000000, 0.0037733800000000, -0.0002543900000000 ] - [ -0.0033632600000000, 0.0000000000000000, -0.0009231800000000 ] - [ -0.0026626700000000, 0.0000000000000000, -0.0000082900000000 ] - [ -0.0021360600000000, 0.0001237300000000, -0.0003141500000000 ] - [ -0.0019487600000000, 0.0000000000000000, -0.0005470000000000 ] - [ 0.0042514100000000, 0.0017996100000000, 0.0015740100000000 ] - [ -0.0021360600000000, -0.0001237300000000, -0.0003141500000000 ] - [ 0.0042514100000000, -0.0017996100000000, 0.0015740100000000 ] - [ 0.0102268300000000, 0.0029460200000000, 0.0020911100000000 ] - [ 0.0053235200000000, -0.0037733800000000, -0.0002543900000000 ] - [ -0.0037938600000000, -0.0018681200000000, -0.0010362800000000 ] - [ -0.0028197100000000, -0.0008921000000000, -0.0023019900000000 ] - [ 0.0050475500000000, 0.0000000000000000, 0.0013111000000000 ] - [ -0.0011222500000000, 0.0005778700000000, 0.0020507100000000 ] - [ 0.0138863600000000, -0.0024046600000000, 0.0010931500000000 ] - [ 0.0021211700000000, -0.0012749300000000, 0.0023995600000000 ] - [ -0.0028197100000000, 0.0008921000000000, -0.0023019900000000 ] - [ 0.0092373100000000, 0.0000000000000000, -0.0073880700000000 ] - [ -0.0206061600000000, 0.0000000000000000, 0.0009057600000000 ] - [ 0.0138863600000000, 0.0024046600000000, 0.0010931500000000 ] - [ 0.0287203100000000, 0.0000000000000000, 0.0026467100000000 ] - [ 0.0088887600000000, 0.0000000000000000, -0.0001435100000000 ] - [ -0.0037938600000000, 0.0018681200000000, -0.0010362800000000 ] - [ 0.0011783600000000, 0.0006998700000000, 0.0000871500000000 ] - [ 0.0021211700000000, 0.0012749300000000, 0.0023995600000000 ] - [ 0.0102268300000000, -0.0029460200000000, 0.0020911100000000 ] - [ 0.0027522900000000, 0.0000000000000000, -0.0007841800000000 ] - [ -0.0011222500000000, -0.0005778700000000, 0.0020507100000000 ] - [ -0.0019119900000000, 0.0005928300000000, -0.0000525800000000 ] - [ -0.0029548400000000, 0.0000000000000000, 0.0001784200000000 ] - [ -0.0041190700000000, 0.0009940900000000, -0.0005374100000000 ] - [ 0.0046284900000000, 0.0000000000000000, 0.0044579000000000 ] - [ -0.0037410600000000, 0.0000000000000000, -0.0029692200000000 ] - [ 0.0015192400000000, 0.0002921200000000, -0.0001784400000000 ] - [ 0.0009821700000000, 0.0000000000000000, 0.0008304600000000 ] - [ -0.0022105800000000, -0.0003150700000000, -0.0007097000000000 ] - [ 0.0015192400000000, -0.0002921200000000, -0.0001784400000000 ] - [ -0.0022105800000000, 0.0003150700000000, -0.0007097000000000 ] - [ -0.0021108100000000, -0.0009913100000000, -0.0006022500000000 ] - [ -0.0041190700000000, -0.0009940900000000, -0.0005374100000000 ] - [ -0.0095623400000000, -0.0067459200000000, -0.0022078300000000 ] - [ -0.0016095900000000, -0.0001248700000000, 0.0012114200000000 ] - [ -0.0029989700000000, 0.0000000000000000, -0.0007957300000000 ] - [ -0.0027495800000000, 0.0007191600000000, -0.0013170500000000 ] - [ -0.0032560600000000, 0.0003294900000000, -0.0005242900000000 ] - [ -0.0027492200000000, 0.0005418400000000, -0.0010267000000000 ] - [ -0.0016095900000000, 0.0001248700000000, 0.0012114200000000 ] - [ -0.0062406300000000, 0.0000000000000000, -0.0009098500000000 ] - [ -0.0068232600000000, 0.0000000000000000, 0.0007703300000000 ] - [ -0.0032560600000000, -0.0003294900000000, -0.0005242900000000 ] - [ -0.0040786500000000, 0.0000000000000000, -0.0011385000000000 ] - [ -0.0036948200000000, 0.0000000000000000, -0.0002925900000000 ] - [ -0.0095623400000000, 0.0067459200000000, -0.0022078300000000 ] - [ -0.0019119900000000, -0.0005928300000000, -0.0000525800000000 ] - [ -0.0027492200000000, -0.0005418400000000, -0.0010267000000000 ] - [ -0.0021108100000000, 0.0009913100000000, -0.0006022500000000 ] - [ -0.0045216400000000, 0.0000000000000000, 0.0001168400000000 ] - [ -0.0027495800000000, -0.0007191600000000, -0.0013170500000000 ] - [ 0.0051698000000000, 0.0000000000000000, -0.0005780900000000 ] - [ 0.0153421600000000, 0.0000000000000000, -0.0062810000000000 ] - [ -0.0016817400000000, 0.0000000000000000, 0.0018381300000000 ] - [ -0.0008663400000000, 0.0000000000000000, 0.0004372000000000 ] - [ -0.0017554300000000, 0.0000000000000000, -0.0002366500000000 ] - [ -0.0017156200000000, 0.0000000000000000, 0.0001787900000000 ] - [ -0.0003239400000000, 0.0000000000000000, -0.0038238400000000 ] - [ -0.0003590800000000, 0.0000000000000000, -0.0011965800000000 ]- atom: 13 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0066685300000000, 0.0000000000000000, 0.0159587600000000 ] - [ -0.0039662300000000, 0.0000000000000000, 0.0006172300000000 ] - [ 0.0001184800000000, 0.0000000000000000, 0.0026375900000000 ] - [ 0.0054363800000000, 0.0000000000000000, -0.0051109800000000 ] - [ -0.0073204700000000, 0.0000000000000000, -0.0094215700000000 ] - [ -0.0044968000000000, 0.0000000000000000, -0.0014002300000000 ] - [ -0.0049800100000000, 0.0000000000000000, -0.0008398300000000 ] - [ 0.0061241400000000, 0.0000000000000000, -0.0095622000000000 ] - [ -0.0025408300000000, 0.0000000000000000, -0.0029476600000000 ] - [ -0.0040133000000000, 0.0000000000000000, 0.0002362700000000 ] - [ -0.0068282900000000, 0.0000000000000000, 0.0019908000000000 ] - [ 0.0043034200000000, 0.0000000000000000, 0.0118323400000000 ] - [ 0.1228734600000000, 0.0000000000000000, -0.0110220900000000 ] - [ -0.0024466700000000, 0.0000000000000000, -0.0021417100000000 ] - [ 0.0082331700000000, 0.0000000000000000, 0.0020292400000000 ] - [ -0.0120439600000000, 0.0000000000000000, 0.0048962300000000 ] - [ -0.0078524800000000, 0.0000000000000000, -0.0005220500000000 ] - [ -0.0010136600000000, 0.0000000000000000, 0.0025228800000000 ] - [ -0.0053500600000000, 0.0000000000000000, -0.0014389200000000 ] - [ -0.0123243400000000, 0.0000000000000000, -0.0074011400000000 ] - [ 0.0293967300000000, 0.0000000000000000, 0.0043765200000000 ] - [ 0.0075381700000000, 0.0000000000000000, 0.0027922800000000 ] - [ -0.0438581100000000, 0.0000000000000000, -0.0006732700000000 ] - [ 0.0076292500000000, 0.0000000000000000, -0.0013399700000000 ] - [ -0.0058927300000000, 0.0000000000000000, -0.0019204700000000 ] - [ -0.0028714800000000, 0.0000000000000000, -0.0007867200000000 ] - [ -0.0044403500000000, 0.0000000000000000, -0.0017556800000000 ] - [ 0.0073908500000000, 0.0000000000000000, 0.0030076500000000 ] - [ -0.0043508000000000, 0.0000000000000000, -0.0010550500000000 ] - [ 0.0036482600000000, 0.0000000000000000, 0.0002957200000000 ] - [ -0.0051365000000000, 0.0000000000000000, -0.0016598100000000 ] - [ -0.0053449300000000, 0.0000000000000000, -0.0016326400000000 ] - [ -0.0083357900000000, 0.0000000000000000, -0.0005262500000000 ] - [ -0.0052189900000000, 0.0000000000000000, -0.0024781900000000 ] - [ -0.0308627200000000, 0.0000000000000000, -0.0051036700000000 ] - [ 0.0015420300000000, 0.0000000000000000, 0.0003820500000000 ] - [ -0.0019244400000000, 0.0000000000000000, -0.0002054400000000 ] - [ -0.0026771900000000, 0.0000000000000000, -0.0008455300000000 ] - [ -0.0067004300000000, 0.0000000000000000, -0.0023511500000000 ] - [ -0.0038348300000000, 0.0000000000000000, 0.0001017400000000 ] - [ -0.0013386800000000, 0.0006982500000000, 0.0002585900000000 ] - [ 0.0015894200000000, 0.0000000000000000, 0.0044441500000000 ] - [ -0.0060513200000000, -0.0041407200000000, -0.0000249300000000 ] - [ 0.0037104900000000, 0.0000000000000000, 0.0009993700000000 ] - [ 0.0028602200000000, 0.0000000000000000, 0.0002193600000000 ] - [ 0.0016358800000000, -0.0001759200000000, 0.0003170000000000 ] - [ 0.0018395900000000, 0.0000000000000000, 0.0010737500000000 ] - [ -0.0041775700000000, -0.0008596100000000, -0.0015757200000000 ] - [ 0.0016358800000000, 0.0001759200000000, 0.0003170000000000 ] - [ -0.0041775700000000, 0.0008596100000000, -0.0015757200000000 ] - [ -0.0095235700000000, -0.0031055900000000, -0.0018739900000000 ] - [ -0.0060513200000000, 0.0041407200000000, -0.0000249300000000 ] - [ 0.0037493700000000, 0.0009396500000000, 0.0010367300000000 ] - [ 0.0021332700000000, 0.0010942600000000, 0.0020873300000000 ] - [ -0.0052464300000000, 0.0000000000000000, -0.0015191000000000 ] - [ 0.0024248900000000, -0.0006842100000000, -0.0015339900000000 ] - [ -0.0129606500000000, 0.0026211500000000, -0.0008614500000000 ] - [ -0.0034299600000000, 0.0013814500000000, -0.0029330500000000 ] - [ 0.0021332700000000, -0.0010942600000000, 0.0020873300000000 ] - [ -0.0085922300000000, 0.0000000000000000, 0.0066844300000000 ] - [ 0.0225471300000000, 0.0000000000000000, -0.0006233000000000 ] - [ -0.0129606500000000, -0.0026211500000000, -0.0008614500000000 ] - [ -0.0285605400000000, 0.0000000000000000, -0.0031200900000000 ] - [ -0.0079536300000000, 0.0000000000000000, 0.0005156800000000 ] - [ 0.0037493700000000, -0.0009396500000000, 0.0010367300000000 ] - [ -0.0013386800000000, -0.0006982500000000, 0.0002585900000000 ] - [ -0.0034299600000000, -0.0013814500000000, -0.0029330500000000 ] - [ -0.0095235700000000, 0.0031055900000000, -0.0018739900000000 ] - [ -0.0046504300000000, 0.0000000000000000, 0.0004813900000000 ] - [ 0.0024248900000000, 0.0006842100000000, -0.0015339900000000 ] - [ 0.0017688400000000, -0.0005907700000000, 0.0004044300000000 ] - [ 0.0018558800000000, 0.0000000000000000, -0.0005744500000000 ] - [ 0.0042655100000000, -0.0009946300000000, 0.0001867800000000 ] - [ -0.0042473100000000, 0.0000000000000000, -0.0043606000000000 ] - [ 0.0039371700000000, 0.0000000000000000, 0.0031709200000000 ] - [ -0.0020025700000000, -0.0003522100000000, 0.0001869700000000 ] - [ -0.0010788800000000, 0.0000000000000000, -0.0003027200000000 ] - [ 0.0022618400000000, 0.0012475400000000, 0.0007132200000000 ] - [ -0.0020025700000000, 0.0003522100000000, 0.0001869700000000 ] - [ 0.0022618400000000, -0.0012475400000000, 0.0007132200000000 ] - [ 0.0027993000000000, 0.0007887600000000, 0.0008249300000000 ] - [ 0.0042655100000000, 0.0009946300000000, 0.0001867800000000 ] - [ 0.0094631800000000, 0.0057955000000000, 0.0022080700000000 ] - [ 0.0009283300000000, 0.0003280600000000, -0.0014244600000000 ] - [ 0.0028143100000000, 0.0000000000000000, 0.0005863800000000 ] - [ 0.0040543200000000, -0.0008213800000000, 0.0018444900000000 ] - [ 0.0037572300000000, -0.0002732000000000, 0.0005176900000000 ] - [ 0.0014513700000000, -0.0004414300000000, 0.0004970800000000 ] - [ 0.0009283300000000, -0.0003280600000000, -0.0014244600000000 ] - [ 0.0058951100000000, 0.0000000000000000, 0.0008409300000000 ] - [ 0.0087030300000000, 0.0000000000000000, -0.0004815600000000 ] - [ 0.0037572300000000, 0.0002732000000000, 0.0005176900000000 ] - [ 0.0041875300000000, 0.0000000000000000, 0.0006143000000000 ] - [ 0.0047980900000000, 0.0000000000000000, 0.0006957400000000 ] - [ 0.0094631800000000, -0.0057955000000000, 0.0022080700000000 ] - [ 0.0017688400000000, 0.0005907700000000, 0.0004044300000000 ] - [ 0.0014513700000000, 0.0004414300000000, 0.0004970800000000 ] - [ 0.0027993000000000, -0.0007887600000000, 0.0008249300000000 ] - [ 0.0026475900000000, 0.0000000000000000, -0.0004074000000000 ] - [ 0.0040543200000000, 0.0008213800000000, 0.0018444900000000 ] - [ -0.0050484300000000, 0.0000000000000000, 0.0002884900000000 ] - [ -0.0148917400000000, 0.0000000000000000, 0.0067860800000000 ] - [ 0.0015633300000000, 0.0000000000000000, -0.0015479300000000 ] - [ 0.0004496400000000, 0.0000000000000000, -0.0007810000000000 ] - [ 0.0018747800000000, 0.0000000000000000, -0.0000656300000000 ] - [ 0.0021312600000000, 0.0000000000000000, 0.0001573500000000 ] - [ 0.0002185000000000, 0.0000000000000000, 0.0041196000000000 ] - [ -0.0000479700000000, 0.0000000000000000, 0.0008593500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000793600000000, 0.0065012700000000, 0.0002208900000000 ] - [ 0.0000051200000000, -0.0000008700000000, -0.0000000200000000 ] - [ 0.0000205200000000, -0.0000057000000000, -0.0001639600000000 ] - [ -0.0001486500000000, -0.0024208000000000, 0.0000071200000000 ] - [ 0.0001398400000000, 0.0014310700000000, 0.0000030800000000 ] - [ 0.0000024900000000, 0.0000027600000000, 0.0000012800000000 ] - [ -0.0000153800000000, 0.0000002600000000, 0.0001571400000000 ] - [ -0.0000232700000000, -0.0015839300000000, 0.0000110600000000 ] - [ 0.0000207100000000, -0.0000078900000000, -0.0001546400000000 ] - [ -0.0001404800000000, -0.0000018300000000, 0.0000080700000000 ] - [ 0.0001398300000000, -0.0000168500000000, -0.0000076000000000 ] - [ 0.0000258200000000, 0.0031898000000000, -0.0000148900000000 ] - [ 0.0004543000000000, -0.0844485800000000, -0.0003972500000000 ] - [ -0.0003538200000000, -0.0000270800000000, 0.0004880400000000 ] - [ -0.0000445300000000, 0.0001049200000000, -0.0006095700000000 ] - [ 0.0000482700000000, 0.0000093000000000, 0.0006042900000000 ] - [ 0.0003602000000000, -0.0000011400000000, -0.0004929200000000 ] - [ -0.0003532500000000, 0.0000092100000000, 0.0004908400000000 ] - [ -0.0000337200000000, -0.0000040200000000, -0.0006007000000000 ] - [ 0.0000848900000000, 0.0017692200000000, 0.0005922300000000 ] - [ 0.0004715900000000, 0.0414397400000000, 0.0002280200000000 ] - [ -0.0009147300000000, -0.0011871800000000, -0.0002549200000000 ] - [ -0.0001024300000000, -0.0236930300000000, -0.0002693600000000 ] - [ -0.0005506600000000, 0.0450090800000000, -0.0005982500000000 ] - [ 0.0009212700000000, -0.0000632000000000, 0.0002564900000000 ] - [ -0.0000684400000000, -0.0000011000000000, -0.0000028600000000 ] - [ 0.0005249000000000, 0.0001456700000000, 0.0004475000000000 ] - [ 0.0009644400000000, 0.0001435100000000, 0.0003187600000000 ] - [ -0.0009576300000000, 0.0002672400000000, -0.0003279000000000 ] - [ 0.0001873700000000, -0.0001566400000000, 0.0002701300000000 ] - [ 0.0000713700000000, -0.0000067000000000, 0.0000030600000000 ] - [ -0.0009170900000000, 0.0000018200000000, -0.0002550700000000 ] - [ -0.0001809400000000, 0.0000184100000000, -0.0002710100000000 ] - [ -0.0005223000000000, -0.0000015700000000, -0.0004468600000000 ] - [ 0.0008168200000000, -0.0008403400000000, 0.0002137300000000 ] - [ -0.0000657700000000, -0.0000184200000000, -0.0000019500000000 ] - [ 0.0005254800000000, -0.0000782200000000, 0.0004474100000000 ] - [ 0.0009610400000000, 0.0000002400000000, 0.0003286800000000 ] - [ -0.0009480800000000, 0.0001706400000000, -0.0003237900000000 ] - [ 0.0001848100000000, 0.0000001200000000, 0.0002716900000000 ] - [ -0.0000066600000000, 0.0000998700000000, 0.0002528900000000 ] - [ -0.0005494900000000, -0.0000553300000000, -0.0002031000000000 ] - [ 0.0010902300000000, 0.0145700200000000, -0.0000823500000000 ] - [ 0.0001733200000000, -0.0000004400000000, 0.0000367900000000 ] - [ 0.0000981300000000, -0.0000421800000000, 0.0001069900000000 ] - [ -0.0002464100000000, -0.0000294700000000, 0.0000035200000000 ] - [ -0.0000509200000000, -0.0000027600000000, 0.0002623400000000 ] - [ 0.0003822000000000, 0.0009355000000000, -0.0004930600000000 ] - [ -0.0002475700000000, 0.0000265200000000, 0.0000032300000000 ] - [ -0.0003374600000000, 0.0000077800000000, 0.0004967200000000 ] - [ -0.0020543500000000, -0.0062217700000000, 0.0037942100000000 ] - [ -0.0011943500000000, 0.0147183300000000, -0.0002306700000000 ] - [ 0.0000076600000000, -0.0004320400000000, -0.0000032300000000 ] - [ -0.0003077500000000, 0.0000618600000000, -0.0000665600000000 ] - [ -0.0000983600000000, -0.0000213100000000, -0.0001037300000000 ] - [ 0.0007447500000000, -0.0001621500000000, 0.0002010600000000 ] - [ 0.0026608800000000, -0.0095263300000000, 0.0000715700000000 ] - [ -0.0006494700000000, -0.0000451500000000, -0.0001631600000000 ] - [ -0.0003809700000000, -0.0001366600000000, -0.0001574500000000 ] - [ -0.0001375700000000, 0.0030001000000000, -0.0000305300000000 ] - [ 0.0009251300000000, 0.0045614900000000, 0.0001437400000000 ] - [ -0.0022477100000000, -0.0098311500000000, -0.0000794600000000 ] - [ -0.0000803800000000, 0.0085550500000000, -0.0001143400000000 ] - [ 0.0005280200000000, -0.0075665200000000, 0.0002068400000000 ] - [ -0.0000604000000000, 0.0005019000000000, -0.0000011000000000 ] - [ -0.0001339200000000, 0.0000993700000000, 0.0000949900000000 ] - [ -0.0006554600000000, -0.0001568400000000, -0.0003610800000000 ] - [ 0.0027237500000000, -0.0056970500000000, -0.0039770900000000 ] - [ -0.0009436800000000, 0.0000367500000000, -0.0001461700000000 ] - [ 0.0005666700000000, -0.0000574200000000, 0.0003333500000000 ] - [ -0.0000745900000000, 0.0000007100000000, 0.0001723800000000 ] - [ -0.0005504000000000, 0.0000173900000000, -0.0002001600000000 ] - [ 0.0000667000000000, -0.0000015900000000, -0.0001786300000000 ] - [ 0.0001758000000000, 0.0001145000000000, 0.0000317800000000 ] - [ 0.0000864200000000, 0.0001182400000000, 0.0001060300000000 ] - [ -0.0002393900000000, -0.0000053800000000, -0.0000471100000000 ] - [ -0.0000545700000000, 0.0000014300000000, 0.0002611400000000 ] - [ 0.0000232600000000, 0.0004637700000000, 0.0000018100000000 ] - [ -0.0002517800000000, 0.0000538800000000, 0.0000482600000000 ] - [ 0.0000233400000000, -0.0004674800000000, 0.0000012800000000 ] - [ 0.0003423900000000, -0.0001012800000000, 0.0001094800000000 ] - [ 0.0000767900000000, 0.0000030900000000, -0.0001708100000000 ] - [ 0.0003006400000000, 0.0002897700000000, 0.0008415200000000 ] - [ -0.0002697600000000, 0.0001003400000000, -0.0001265600000000 ] - [ -0.0001044700000000, -0.0000012400000000, -0.0001077600000000 ] - [ 0.0005864400000000, -0.0001021100000000, 0.0001907800000000 ] - [ 0.0002408600000000, 0.0000258400000000, -0.0000058100000000 ] - [ -0.0006561900000000, 0.0000536500000000, -0.0002661600000000 ] - [ -0.0004128900000000, -0.0001012100000000, -0.0000970200000000 ] - [ -0.0001787600000000, 0.0000131000000000, -0.0000375200000000 ] - [ 0.0009366000000000, 0.0000215700000000, 0.0001487500000000 ] - [ 0.0002505300000000, -0.0000303200000000, -0.0000016300000000 ] - [ 0.0000493800000000, -0.0000001800000000, -0.0002639700000000 ] - [ 0.0005493300000000, -0.0000019500000000, 0.0001984700000000 ] - [ -0.0003011300000000, 0.0011632100000000, -0.0008027000000000 ] - [ -0.0000762900000000, -0.0000058900000000, 0.0001752200000000 ] - [ -0.0006553300000000, -0.0000563100000000, -0.0002642800000000 ] - [ 0.0003418400000000, 0.0000982800000000, 0.0001100300000000 ] - [ -0.0009449500000000, -0.0000024600000000, -0.0001449800000000 ] - [ 0.0007061800000000, 0.0000000500000000, 0.0003329200000000 ] - [ 0.0000655400000000, -0.0003261100000000, -0.0001628300000000 ] - [ 0.0001923400000000, 0.0061988100000000, 0.0002028700000000 ] - [ -0.0000589800000000, 0.0000063600000000, 0.0001529200000000 ] - [ -0.0002049200000000, -0.0000014600000000, -0.0001702300000000 ] - [ 0.0000580900000000, -0.0000016300000000, -0.0001505400000000 ] - [ 0.0002053300000000, -0.0000021100000000, 0.0001678900000000 ] - [ -0.0000657200000000, -0.0003681400000000, 0.0001450700000000 ] - [ -0.0002061100000000, -0.0000063000000000, -0.0001710800000000 ]- atom: 13 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0164091600000000, 0.0000000000000000, 0.0077535900000000 ] - [ -0.0007229500000000, 0.0000000000000000, 0.0008626600000000 ] - [ -0.0024363400000000, 0.0000000000000000, 0.0044703100000000 ] - [ 0.0075147600000000, 0.0000000000000000, 0.0152871800000000 ] - [ 0.0051126200000000, 0.0000000000000000, -0.0076926900000000 ] - [ 0.0006344400000000, 0.0000000000000000, -0.0006906400000000 ] - [ 0.0006026100000000, 0.0000000000000000, -0.0002451100000000 ] - [ 0.0116478900000000, 0.0000000000000000, 0.0140188500000000 ] - [ 0.0015357500000000, 0.0000000000000000, 0.0016393800000000 ] - [ -0.0006848500000000, 0.0000000000000000, 0.0005194900000000 ] - [ -0.0025025900000000, 0.0000000000000000, -0.0008776600000000 ] - [ -0.0127889500000000, 0.0000000000000000, 0.0059530000000000 ] - [ 0.0211836600000000, 0.0000000000000000, -0.1514869600000000 ] - [ 0.0020825000000000, 0.0000000000000000, 0.0030078700000000 ] - [ -0.0015656700000000, 0.0000000000000000, 0.0173855800000000 ] - [ -0.0033892800000000, 0.0000000000000000, -0.0012482200000000 ] - [ -0.0002934700000000, 0.0000000000000000, -0.0014839700000000 ] - [ -0.0024381900000000, 0.0000000000000000, 0.0072910200000000 ] - [ 0.0003306000000000, 0.0000000000000000, 0.0003741800000000 ] - [ 0.0114071600000000, 0.0000000000000000, -0.0095640700000000 ] - [ 0.0064128500000000, 0.0000000000000000, 0.0004833300000000 ] - [ -0.0021584600000000, 0.0000000000000000, 0.0008182400000000 ] - [ -0.0096752800000000, 0.0000000000000000, -0.0025788200000000 ] - [ 0.0265352500000000, 0.0000000000000000, 0.0151335100000000 ] - [ 0.0004139600000000, 0.0000000000000000, 0.0000068900000000 ] - [ 0.0006029500000000, 0.0000000000000000, 0.0003458600000000 ] - [ 0.0049996700000000, 0.0000000000000000, 0.0025051900000000 ] - [ 0.0016802800000000, 0.0000000000000000, 0.0039923100000000 ] - [ -0.0044555400000000, 0.0000000000000000, -0.0015126800000000 ] - [ 0.0018067000000000, 0.0000000000000000, 0.0014174300000000 ] - [ -0.0006493500000000, 0.0000000000000000, -0.0002520800000000 ] - [ -0.0002112000000000, 0.0000000000000000, 0.0000028300000000 ] - [ -0.0004098100000000, 0.0000000000000000, -0.0002235700000000 ] - [ -0.0013436000000000, 0.0000000000000000, -0.0008792100000000 ] - [ -0.0231459600000000, 0.0000000000000000, -0.0087243300000000 ] - [ 0.0022855400000000, 0.0000000000000000, 0.0011251000000000 ] - [ -0.0017359400000000, 0.0000000000000000, -0.0004424100000000 ] - [ 0.0014353300000000, 0.0000000000000000, 0.0005035000000000 ] - [ 0.0014841500000000, 0.0000000000000000, 0.0005872300000000 ] - [ 0.0002206200000000, 0.0000000000000000, 0.0002941300000000 ] - [ -0.0018110900000000, -0.0001236500000000, -0.0018475000000000 ] - [ -0.0057083400000000, 0.0000000000000000, 0.0004640900000000 ] - [ 0.0017513600000000, -0.0007347100000000, 0.0112089000000000 ] - [ -0.0006449500000000, 0.0000000000000000, 0.0000598100000000 ] - [ 0.0027474100000000, 0.0000000000000000, 0.0011678100000000 ] - [ -0.0006832700000000, 0.0000533800000000, -0.0004129700000000 ] - [ -0.0003389400000000, 0.0000000000000000, -0.0006344300000000 ] - [ 0.0011379600000000, -0.0002339600000000, -0.0052111200000000 ] - [ -0.0006832700000000, -0.0000533800000000, -0.0004129700000000 ] - [ 0.0011379600000000, 0.0002339600000000, -0.0052111200000000 ] - [ -0.0017287000000000, 0.0135800600000000, 0.0173819200000000 ] - [ 0.0017513600000000, 0.0007347100000000, 0.0112089000000000 ] - [ -0.0000886800000000, 0.0000634800000000, 0.0011334800000000 ] - [ -0.0020997500000000, -0.0010705700000000, -0.0007598300000000 ] - [ -0.0003123800000000, 0.0000000000000000, -0.0042969800000000 ] - [ 0.0037507700000000, -0.0000411800000000, 0.0000994200000000 ] - [ -0.0047445700000000, 0.0021579600000000, 0.0055638000000000 ] - [ -0.0002026800000000, 0.0004117700000000, -0.0045029100000000 ] - [ -0.0020997500000000, 0.0010705700000000, -0.0007598300000000 ] - [ -0.0003347200000000, 0.0000000000000000, 0.0148841100000000 ] - [ 0.0063052200000000, 0.0000000000000000, -0.0001755200000000 ] - [ -0.0047445700000000, -0.0021579600000000, 0.0055638000000000 ] - [ -0.0021901200000000, 0.0000000000000000, 0.0158233700000000 ] - [ -0.0206250300000000, 0.0000000000000000, -0.0083054600000000 ] - [ -0.0000886800000000, -0.0000634800000000, 0.0011334800000000 ] - [ -0.0018110900000000, 0.0001236500000000, -0.0018475000000000 ] - [ -0.0002026800000000, -0.0004117700000000, -0.0045029100000000 ] - [ -0.0017287000000000, -0.0135800600000000, 0.0173819200000000 ] - [ -0.0004210800000000, 0.0000000000000000, -0.0049200600000000 ] - [ 0.0037507700000000, 0.0000411800000000, 0.0000994200000000 ] - [ 0.0000401100000000, 0.0001374200000000, -0.0004636200000000 ] - [ 0.0010972000000000, 0.0000000000000000, 0.0005383600000000 ] - [ 0.0003996800000000, 0.0000364700000000, 0.0001739200000000 ] - [ 0.0024549300000000, 0.0000000000000000, -0.0027181300000000 ] - [ -0.0031871800000000, 0.0000000000000000, 0.0011886700000000 ] - [ -0.0010254000000000, 0.0005518600000000, -0.0029100900000000 ] - [ -0.0015434900000000, 0.0000000000000000, -0.0010325500000000 ] - [ -0.0001928600000000, 0.0002323900000000, -0.0002532500000000 ] - [ -0.0010254000000000, -0.0005518600000000, -0.0029100900000000 ] - [ -0.0001928600000000, -0.0002323900000000, -0.0002532500000000 ] - [ 0.0005902700000000, 0.0001630000000000, 0.0004713000000000 ] - [ 0.0003996800000000, -0.0000364700000000, 0.0001739200000000 ] - [ 0.0081841400000000, 0.0063482600000000, 0.0063720800000000 ] - [ 0.0016715800000000, -0.0000893700000000, -0.0012320500000000 ] - [ -0.0004061400000000, 0.0000000000000000, -0.0004055300000000 ] - [ -0.0007277500000000, 0.0004776900000000, -0.0001291400000000 ] - [ 0.0008960400000000, 0.0000556800000000, 0.0002009000000000 ] - [ -0.0010377600000000, 0.0000619500000000, -0.0004672800000000 ] - [ 0.0016715800000000, 0.0000893700000000, -0.0012320500000000 ] - [ 0.0002792900000000, 0.0000000000000000, 0.0002354500000000 ] - [ 0.0005624700000000, 0.0000000000000000, 0.0017603900000000 ] - [ 0.0008960400000000, -0.0000556800000000, 0.0002009000000000 ] - [ 0.0005526800000000, 0.0000000000000000, 0.0001051800000000 ] - [ 0.0014343000000000, 0.0000000000000000, 0.0001656600000000 ] - [ 0.0081841400000000, -0.0063482600000000, 0.0063720800000000 ] - [ 0.0000401100000000, -0.0001374200000000, -0.0004636200000000 ] - [ -0.0010377600000000, -0.0000619500000000, -0.0004672800000000 ] - [ 0.0005902700000000, -0.0001630000000000, 0.0004713000000000 ] - [ -0.0009015200000000, 0.0000000000000000, -0.0002859200000000 ] - [ -0.0007277500000000, -0.0004776900000000, -0.0001291400000000 ] - [ -0.0000700400000000, 0.0000000000000000, -0.0082037700000000 ] - [ -0.0066175200000000, 0.0000000000000000, 0.0330805000000000 ] - [ 0.0005903000000000, 0.0000000000000000, -0.0004705500000000 ] - [ 0.0001300500000000, 0.0000000000000000, -0.0018458000000000 ] - [ 0.0001113200000000, 0.0000000000000000, -0.0004686500000000 ] - [ 0.0002314900000000, 0.0000000000000000, 0.0003716400000000 ] - [ -0.0030190800000000, 0.0000000000000000, -0.0002514100000000 ] - [ -0.0012476900000000, 0.0000000000000000, -0.0025384100000000 ]- atom: 13 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0162371800000000, 0.0000000000000000, -0.0075135700000000 ] - [ 0.0007184000000000, 0.0000000000000000, -0.0008719200000000 ] - [ 0.0024634400000000, 0.0000000000000000, -0.0048096900000000 ] - [ -0.0078711200000000, 0.0000000000000000, -0.0153440700000000 ] - [ -0.0048090200000000, 0.0000000000000000, 0.0077530500000000 ] - [ -0.0006320200000000, 0.0000000000000000, 0.0006999300000000 ] - [ -0.0006627400000000, 0.0000000000000000, 0.0005605400000000 ] - [ -0.0115196700000000, 0.0000000000000000, -0.0139938700000000 ] - [ -0.0014785700000000, 0.0000000000000000, -0.0019830100000000 ] - [ 0.0004021300000000, 0.0000000000000000, -0.0005053700000000 ] - [ 0.0027887400000000, 0.0000000000000000, 0.0008839300000000 ] - [ 0.0128576200000000, 0.0000000000000000, -0.0059280900000000 ] - [ -0.0203298300000000, 0.0000000000000000, 0.1504425200000000 ] - [ -0.0028012200000000, 0.0000000000000000, -0.0020227800000000 ] - [ 0.0014873900000000, 0.0000000000000000, -0.0186030900000000 ] - [ 0.0035228400000000, 0.0000000000000000, 0.0024274400000000 ] - [ 0.0009879500000000, 0.0000000000000000, 0.0005139300000000 ] - [ 0.0017754600000000, 0.0000000000000000, -0.0063248300000000 ] - [ -0.0004276100000000, 0.0000000000000000, -0.0015917900000000 ] - [ -0.0113946200000000, 0.0000000000000000, 0.0107828600000000 ] - [ -0.0064010500000000, 0.0000000000000000, -0.0006144000000000 ] - [ 0.0003621300000000, 0.0000000000000000, -0.0013252800000000 ] - [ 0.0094969900000000, 0.0000000000000000, 0.0020194400000000 ] - [ -0.0276781900000000, 0.0000000000000000, -0.0162803400000000 ] - [ 0.0014350300000000, 0.0000000000000000, 0.0005067700000000 ] - [ -0.0007615200000000, 0.0000000000000000, -0.0003592700000000 ] - [ -0.0039517000000000, 0.0000000000000000, -0.0016090000000000 ] - [ 0.0002256000000000, 0.0000000000000000, -0.0033344100000000 ] - [ 0.0025528100000000, 0.0000000000000000, 0.0008572700000000 ] - [ -0.0014617900000000, 0.0000000000000000, -0.0008771900000000 ] - [ 0.0007903600000000, 0.0000000000000000, 0.0002572500000000 ] - [ -0.0016328500000000, 0.0000000000000000, -0.0005157500000000 ] - [ 0.0000225000000000, 0.0000000000000000, -0.0003186300000000 ] - [ 0.0002858800000000, 0.0000000000000000, -0.0000201100000000 ] - [ 0.0250177900000000, 0.0000000000000000, 0.0092030400000000 ] - [ -0.0024013200000000, 0.0000000000000000, -0.0011287200000000 ] - [ 0.0028082400000000, 0.0000000000000000, 0.0013486300000000 ] - [ 0.0004594900000000, 0.0000000000000000, 0.0001426700000000 ] - [ -0.0033974200000000, 0.0000000000000000, -0.0012422400000000 ] - [ 0.0001559200000000, 0.0000000000000000, 0.0002465700000000 ] - [ 0.0016879600000000, 0.0001241800000000, 0.0021981800000000 ] - [ 0.0046379400000000, 0.0000000000000000, -0.0008788500000000 ] - [ -0.0016896500000000, 0.0006915100000000, -0.0115283500000000 ] - [ 0.0009995600000000, 0.0000000000000000, 0.0000127400000000 ] - [ -0.0025347100000000, 0.0000000000000000, -0.0009468100000000 ] - [ 0.0001924700000000, -0.0001111000000000, 0.0004219800000000 ] - [ 0.0002467100000000, 0.0000000000000000, 0.0011596500000000 ] - [ -0.0011074600000000, 0.0011572900000000, 0.0052186100000000 ] - [ 0.0001924700000000, 0.0001111000000000, 0.0004219800000000 ] - [ -0.0011074600000000, -0.0011572900000000, 0.0052186100000000 ] - [ 0.0023072100000000, -0.0145703300000000, -0.0180859100000000 ] - [ -0.0016896500000000, -0.0006915100000000, -0.0115283500000000 ] - [ 0.0000329300000000, -0.0009971700000000, -0.0011412200000000 ] - [ 0.0014183100000000, 0.0012763700000000, 0.0005348600000000 ] - [ 0.0001118000000000, 0.0000000000000000, 0.0040769000000000 ] - [ -0.0024277100000000, -0.0000665400000000, 0.0004446600000000 ] - [ 0.0054526500000000, -0.0020406900000000, -0.0054204600000000 ] - [ -0.0011011500000000, -0.0003037400000000, 0.0039653700000000 ] - [ 0.0014183100000000, -0.0012763700000000, 0.0005348600000000 ] - [ 0.0004880500000000, 0.0000000000000000, -0.0152047300000000 ] - [ -0.0045491600000000, 0.0000000000000000, 0.0004639800000000 ] - [ 0.0054526500000000, 0.0020406900000000, -0.0054204600000000 ] - [ 0.0023333700000000, 0.0000000000000000, -0.0162947200000000 ] - [ 0.0217718100000000, 0.0000000000000000, 0.0087547300000000 ] - [ 0.0000329300000000, 0.0009971700000000, -0.0011412200000000 ] - [ 0.0016879600000000, -0.0001241800000000, 0.0021981800000000 ] - [ -0.0011011500000000, 0.0003037400000000, 0.0039653700000000 ] - [ 0.0023072100000000, 0.0145703300000000, -0.0180859100000000 ] - [ -0.0014467700000000, 0.0000000000000000, 0.0046322200000000 ] - [ -0.0024277100000000, 0.0000665400000000, 0.0004446600000000 ] - [ -0.0001934900000000, -0.0001321400000000, 0.0008104700000000 ] - [ -0.0022041900000000, 0.0000000000000000, -0.0009420000000000 ] - [ -0.0002514800000000, -0.0000413300000000, -0.0005225900000000 ] - [ -0.0021307800000000, 0.0000000000000000, 0.0027893800000000 ] - [ 0.0034006700000000, 0.0000000000000000, -0.0009598100000000 ] - [ 0.0005155700000000, -0.0006066400000000, 0.0029134000000000 ] - [ 0.0014184600000000, 0.0000000000000000, 0.0015525200000000 ] - [ 0.0002403400000000, 0.0006989000000000, 0.0002564800000000 ] - [ 0.0005155700000000, 0.0006066400000000, 0.0029134000000000 ] - [ 0.0002403400000000, -0.0006989000000000, 0.0002564800000000 ] - [ 0.0000899800000000, -0.0003705700000000, -0.0002581400000000 ] - [ -0.0002514800000000, 0.0000413300000000, -0.0005225900000000 ] - [ -0.0082381400000000, -0.0072703900000000, -0.0063752400000000 ] - [ -0.0023655900000000, 0.0002910300000000, 0.0010072000000000 ] - [ 0.0002006000000000, 0.0000000000000000, 0.0001898200000000 ] - [ 0.0020480400000000, -0.0005860100000000, 0.0006665200000000 ] - [ -0.0004033200000000, -0.0000008200000000, -0.0002082500000000 ] - [ -0.0002721600000000, 0.0000432200000000, -0.0000626500000000 ] - [ -0.0023655900000000, -0.0002910300000000, 0.0010072000000000 ] - [ -0.0006398000000000, 0.0000000000000000, -0.0003159800000000 ] - [ 0.0013478200000000, 0.0000000000000000, -0.0014755600000000 ] - [ -0.0004033200000000, 0.0000008200000000, -0.0002082500000000 ] - [ -0.0004515600000000, 0.0000000000000000, -0.0006319100000000 ] - [ -0.0003410400000000, 0.0000000000000000, 0.0002257400000000 ] - [ -0.0082381400000000, 0.0072703900000000, -0.0063752400000000 ] - [ -0.0001934900000000, 0.0001321400000000, 0.0008104700000000 ] - [ -0.0002721600000000, -0.0000432200000000, -0.0000626500000000 ] - [ 0.0000899800000000, 0.0003705700000000, -0.0002581400000000 ] - [ -0.0009994600000000, 0.0000000000000000, -0.0000083800000000 ] - [ 0.0020480400000000, 0.0005860100000000, 0.0006665200000000 ] - [ 0.0001653500000000, 0.0000000000000000, 0.0078909300000000 ] - [ 0.0063790700000000, 0.0000000000000000, -0.0304983500000000 ] - [ -0.0006997700000000, 0.0000000000000000, 0.0007793600000000 ] - [ -0.0005277000000000, 0.0000000000000000, 0.0015072000000000 ] - [ 0.0000010700000000, 0.0000000000000000, 0.0001688500000000 ] - [ 0.0001732200000000, 0.0000000000000000, -0.0000314400000000 ] - [ 0.0029035600000000, 0.0000000000000000, 0.0005845200000000 ] - [ 0.0008336300000000, 0.0000000000000000, 0.0022017000000000 ]- atom: 15 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0081989100000000, 0.0000000000000000, 0.0111708600000000 ] - [ 0.0045084900000000, 0.0000000000000000, 0.0013273300000000 ] - [ 0.0083462500000000, 0.0000000000000000, 0.0051928600000000 ] - [ -0.0073371400000000, 0.0000000000000000, -0.0119901100000000 ] - [ 0.0003827900000000, 0.0000000000000000, -0.0020739000000000 ] - [ 0.0039472400000000, 0.0000000000000000, -0.0003320500000000 ] - [ 0.0037423900000000, 0.0000000000000000, 0.0001198400000000 ] - [ -0.0029672800000000, 0.0000000000000000, -0.0146478800000000 ] - [ 0.0072917100000000, 0.0000000000000000, -0.0032289200000000 ] - [ 0.0048228700000000, 0.0000000000000000, 0.0012443800000000 ] - [ 0.0023253800000000, 0.0000000000000000, 0.0019539300000000 ] - [ -0.0048981400000000, 0.0000000000000000, 0.0056125000000000 ] - [ -0.0079228800000000, 0.0000000000000000, -0.0026752500000000 ] - [ 0.0116965100000000, 0.0000000000000000, -0.0019762700000000 ] - [ -0.1300172500000000, 0.0000000000000000, 0.0054647000000000 ] - [ 0.0035810300000000, 0.0000000000000000, 0.0036138700000000 ] - [ 0.0056615300000000, 0.0000000000000000, 0.0003365600000000 ] - [ 0.0120059200000000, 0.0000000000000000, 0.0129729200000000 ] - [ 0.0082883500000000, 0.0000000000000000, -0.0005447800000000 ] - [ 0.0002685600000000, 0.0000000000000000, -0.0039479900000000 ] - [ -0.0069247000000000, 0.0000000000000000, -0.0030644800000000 ] - [ -0.0095832300000000, 0.0000000000000000, 0.0016697400000000 ] - [ -0.0021622800000000, 0.0000000000000000, -0.0004266200000000 ] - [ -0.0101527000000000, 0.0000000000000000, -0.0046419100000000 ] - [ 0.0044819700000000, 0.0000000000000000, 0.0013227200000000 ] - [ 0.0060517900000000, 0.0000000000000000, 0.0020747400000000 ] - [ 0.0014648500000000, 0.0000000000000000, 0.0000537400000000 ] - [ -0.0310453900000000, 0.0000000000000000, -0.0051106100000000 ] - [ 0.0023967900000000, 0.0000000000000000, 0.0009533500000000 ] - [ 0.0364411500000000, 0.0000000000000000, -0.0024035400000000 ] - [ 0.0039288900000000, 0.0000000000000000, 0.0012460200000000 ] - [ 0.0047847000000000, 0.0000000000000000, 0.0015327300000000 ] - [ 0.0033750200000000, 0.0000000000000000, -0.0000474800000000 ] - [ 0.0037352300000000, 0.0000000000000000, 0.0013663100000000 ] - [ -0.0021619700000000, 0.0000000000000000, -0.0006505100000000 ] - [ 0.0393454800000000, 0.0000000000000000, 0.0083375700000000 ] - [ 0.0058801600000000, 0.0000000000000000, 0.0029061600000000 ] - [ 0.0055279200000000, 0.0000000000000000, 0.0017787400000000 ] - [ 0.0003277400000000, 0.0000000000000000, -0.0004152900000000 ] - [ 0.0082176700000000, 0.0000000000000000, 0.0006490900000000 ] - [ -0.0118117500000000, 0.0062146700000000, 0.0011318600000000 ] - [ -0.0012869700000000, 0.0000000000000000, 0.0007754200000000 ] - [ 0.0018152200000000, 0.0002728600000000, -0.0003958100000000 ] - [ -0.0051847300000000, 0.0000000000000000, 0.0001153000000000 ] - [ -0.0026666200000000, 0.0000000000000000, -0.0007632400000000 ] - [ -0.0040818700000000, 0.0005692200000000, -0.0010108700000000 ] - [ -0.0053025100000000, 0.0000000000000000, -0.0005029800000000 ] - [ 0.0102502100000000, 0.0041356000000000, 0.0020073200000000 ] - [ -0.0040818700000000, -0.0005692200000000, -0.0010108700000000 ] - [ 0.0102502100000000, -0.0041356000000000, 0.0020073200000000 ] - [ 0.0050269700000000, 0.0015515300000000, 0.0019552000000000 ] - [ 0.0018152200000000, -0.0002728600000000, -0.0003958100000000 ] - [ -0.0015530800000000, -0.0011875400000000, -0.0005206300000000 ] - [ -0.0016682600000000, 0.0004150100000000, 0.0011771300000000 ] - [ 0.0305511900000000, 0.0000000000000000, 0.0040869800000000 ] - [ -0.0006114700000000, 0.0008293500000000, -0.0020398200000000 ] - [ 0.0034160700000000, -0.0012015600000000, 0.0025340900000000 ] - [ 0.0168442800000000, -0.0013757600000000, 0.0020122900000000 ] - [ -0.0016682600000000, -0.0004150100000000, 0.0011771300000000 ] - [ 0.0034877600000000, 0.0000000000000000, -0.0006591600000000 ] - [ 0.0022797100000000, 0.0000000000000000, 0.0001499600000000 ] - [ 0.0034160700000000, 0.0012015600000000, 0.0025340900000000 ] - [ 0.0057198000000000, 0.0000000000000000, 0.0009232900000000 ] - [ 0.0056266000000000, 0.0000000000000000, 0.0059591000000000 ] - [ -0.0015530800000000, 0.0011875400000000, -0.0005206300000000 ] - [ -0.0118117500000000, -0.0062146700000000, 0.0011318600000000 ] - [ 0.0168442800000000, 0.0013757600000000, 0.0020122900000000 ] - [ 0.0050269700000000, -0.0015515300000000, 0.0019552000000000 ] - [ 0.0105643000000000, 0.0000000000000000, -0.0066702200000000 ] - [ -0.0006114700000000, -0.0008293500000000, -0.0020398200000000 ] - [ -0.0047981100000000, 0.0007998200000000, -0.0004446700000000 ] - [ -0.0045904300000000, 0.0000000000000000, -0.0015284800000000 ] - [ -0.0020365200000000, 0.0002539800000000, -0.0004662200000000 ] - [ 0.0090208800000000, 0.0000000000000000, -0.0026236400000000 ] - [ -0.0009169400000000, 0.0000000000000000, 0.0008838700000000 ] - [ 0.0030433000000000, 0.0026640600000000, -0.0021557200000000 ] - [ -0.0161711900000000, 0.0000000000000000, -0.0041186500000000 ] - [ -0.0028316800000000, -0.0006039600000000, -0.0006545900000000 ] - [ 0.0030433000000000, -0.0026640600000000, -0.0021557200000000 ] - [ -0.0028316800000000, 0.0006039600000000, -0.0006545900000000 ] - [ -0.0018463000000000, -0.0008734500000000, -0.0007283900000000 ] - [ -0.0020365200000000, -0.0002539800000000, -0.0004662200000000 ] - [ 0.0010454800000000, 0.0003654200000000, 0.0003024500000000 ] - [ -0.0017249100000000, -0.0014635400000000, -0.0038792300000000 ] - [ -0.0037564800000000, 0.0000000000000000, -0.0010027000000000 ] - [ -0.0004756100000000, -0.0001445100000000, 0.0010396200000000 ] - [ -0.0020489800000000, 0.0004316100000000, -0.0007670600000000 ] - [ -0.0035761900000000, 0.0005052800000000, -0.0006303500000000 ] - [ -0.0017249100000000, 0.0014635400000000, -0.0038792300000000 ] - [ -0.0033827900000000, 0.0000000000000000, -0.0001834300000000 ] - [ -0.0018178300000000, 0.0000000000000000, 0.0001515800000000 ] - [ -0.0020489800000000, -0.0004316100000000, -0.0007670600000000 ] - [ -0.0029678100000000, 0.0000000000000000, -0.0009398700000000 ] - [ -0.0027174200000000, 0.0000000000000000, -0.0011041300000000 ] - [ 0.0010454800000000, -0.0003654200000000, 0.0003024500000000 ] - [ -0.0047981100000000, -0.0007998200000000, -0.0004446700000000 ] - [ -0.0035761900000000, -0.0005052800000000, -0.0006303500000000 ] - [ -0.0018463000000000, 0.0008734500000000, -0.0007283900000000 ] - [ -0.0082026600000000, 0.0000000000000000, 0.0003028300000000 ] - [ -0.0004756100000000, 0.0001445100000000, 0.0010396200000000 ] - [ 0.0171867700000000, 0.0000000000000000, -0.0083065500000000 ] - [ 0.0049194700000000, 0.0000000000000000, -0.0007179400000000 ] - [ -0.0021230100000000, 0.0000000000000000, -0.0014214500000000 ] - [ -0.0030665700000000, 0.0000000000000000, -0.0011143100000000 ] - [ -0.0019335400000000, 0.0000000000000000, -0.0002232100000000 ] - [ -0.0013558800000000, 0.0000000000000000, 0.0000963100000000 ] - [ -0.0022501100000000, 0.0000000000000000, 0.0048220100000000 ] - [ -0.0038730500000000, 0.0000000000000000, 0.0019570200000000 ]- atom: 15 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0082231500000000, 0.0000000000000000, -0.0108319400000000 ] - [ -0.0045063900000000, 0.0000000000000000, -0.0013431200000000 ] - [ -0.0082984700000000, 0.0000000000000000, -0.0055695400000000 ] - [ 0.0071489200000000, 0.0000000000000000, 0.0120446100000000 ] - [ -0.0000844500000000, 0.0000000000000000, 0.0020747900000000 ] - [ -0.0039452000000000, 0.0000000000000000, 0.0003362400000000 ] - [ -0.0037946400000000, 0.0000000000000000, 0.0001928400000000 ] - [ 0.0028985900000000, 0.0000000000000000, 0.0145670600000000 ] - [ -0.0072289200000000, 0.0000000000000000, 0.0028838500000000 ] - [ -0.0051086200000000, 0.0000000000000000, -0.0012348600000000 ] - [ -0.0020503800000000, 0.0000000000000000, -0.0019633700000000 ] - [ 0.0048566100000000, 0.0000000000000000, -0.0056473000000000 ] - [ 0.0086288700000000, 0.0000000000000000, 0.0017170400000000 ] - [ -0.0124354100000000, 0.0000000000000000, 0.0029530700000000 ] - [ 0.1299786100000000, 0.0000000000000000, -0.0062174200000000 ] - [ -0.0034730300000000, 0.0000000000000000, -0.0024117200000000 ] - [ -0.0049549100000000, 0.0000000000000000, -0.0013140600000000 ] - [ -0.0126884600000000, 0.0000000000000000, -0.0119257600000000 ] - [ -0.0083807800000000, 0.0000000000000000, -0.0006733700000000 ] - [ -0.0001950600000000, 0.0000000000000000, 0.0051430900000000 ] - [ 0.0070499100000000, 0.0000000000000000, 0.0030785200000000 ] - [ 0.0074551700000000, 0.0000000000000000, -0.0022269800000000 ] - [ 0.0018204300000000, 0.0000000000000000, -0.0001176300000000 ] - [ 0.0091474500000000, 0.0000000000000000, 0.0037577800000000 ] - [ -0.0026416200000000, 0.0000000000000000, -0.0008155600000000 ] - [ -0.0061949600000000, 0.0000000000000000, -0.0020881700000000 ] - [ -0.0003936100000000, 0.0000000000000000, 0.0008518100000000 ] - [ 0.0332919300000000, 0.0000000000000000, 0.0058266400000000 ] - [ -0.0042899900000000, 0.0000000000000000, -0.0016075200000000 ] - [ -0.0364102200000000, 0.0000000000000000, 0.0030941900000000 ] - [ -0.0037832700000000, 0.0000000000000000, -0.0012431700000000 ] - [ -0.0066213400000000, 0.0000000000000000, -0.0020485200000000 ] - [ -0.0037634200000000, 0.0000000000000000, -0.0004987700000000 ] - [ -0.0047868000000000, 0.0000000000000000, -0.0022674900000000 ] - [ 0.0039729800000000, 0.0000000000000000, 0.0011496100000000 ] - [ -0.0389596400000000, 0.0000000000000000, -0.0083127000000000 ] - [ -0.0048413300000000, 0.0000000000000000, -0.0020200800000000 ] - [ -0.0036256400000000, 0.0000000000000000, -0.0011345200000000 ] - [ -0.0022467400000000, 0.0000000000000000, -0.0002461600000000 ] - [ -0.0078438000000000, 0.0000000000000000, -0.0001127100000000 ] - [ 0.0117224900000000, -0.0062351000000000, -0.0008160200000000 ] - [ 0.0001769400000000, 0.0000000000000000, -0.0011823500000000 ] - [ -0.0016778300000000, -0.0002759000000000, 0.0000368000000000 ] - [ 0.0055426700000000, 0.0000000000000000, -0.0000463600000000 ] - [ 0.0028644400000000, 0.0000000000000000, 0.0009721100000000 ] - [ 0.0035933400000000, -0.0006291800000000, 0.0010154800000000 ] - [ 0.0052072900000000, 0.0000000000000000, 0.0010286100000000 ] - [ -0.0101876100000000, -0.0032053700000000, -0.0019698300000000 ] - [ 0.0035933400000000, 0.0006291800000000, 0.0010154800000000 ] - [ -0.0101876100000000, 0.0032053700000000, -0.0019698300000000 ] - [ -0.0043652800000000, -0.0017667800000000, -0.0017422700000000 ] - [ -0.0016778300000000, 0.0002759000000000, 0.0000368000000000 ] - [ 0.0015026500000000, 0.0002543800000000, 0.0005089500000000 ] - [ 0.0009846300000000, -0.0002144600000000, -0.0014073100000000 ] - [ -0.0308067500000000, 0.0000000000000000, -0.0043636100000000 ] - [ 0.0019121000000000, -0.0009374900000000, 0.0025692700000000 ] - [ -0.0029094600000000, 0.0012589000000000, -0.0025422800000000 ] - [ -0.0186294200000000, 0.0012797800000000, -0.0028410400000000 ] - [ 0.0009846300000000, 0.0002144600000000, -0.0014073100000000 ] - [ -0.0038254600000000, 0.0000000000000000, 0.0005923100000000 ] - [ -0.0004060200000000, 0.0000000000000000, 0.0001367500000000 ] - [ -0.0029094600000000, -0.0012589000000000, -0.0025422800000000 ] - [ -0.0056054900000000, 0.0000000000000000, -0.0014571600000000 ] - [ -0.0045577200000000, 0.0000000000000000, -0.0056010600000000 ] - [ 0.0015026500000000, -0.0002543800000000, 0.0005089500000000 ] - [ 0.0117224900000000, 0.0062351000000000, -0.0008160200000000 ] - [ -0.0186294200000000, -0.0012797800000000, -0.0028410400000000 ] - [ -0.0043652800000000, 0.0017667800000000, -0.0017422700000000 ] - [ -0.0136450000000000, 0.0000000000000000, 0.0071189700000000 ] - [ 0.0019121000000000, 0.0009374900000000, 0.0025692700000000 ] - [ 0.0046487300000000, -0.0007932700000000, 0.0007844800000000 ] - [ 0.0034967800000000, 0.0000000000000000, 0.0011272200000000 ] - [ 0.0021877600000000, -0.0002584200000000, 0.0001147700000000 ] - [ -0.0084838800000000, 0.0000000000000000, 0.0026933200000000 ] - [ 0.0011330400000000, 0.0000000000000000, -0.0006650800000000 ] - [ -0.0027700300000000, -0.0024045700000000, 0.0021434600000000 ] - [ 0.0160009700000000, 0.0000000000000000, 0.0046485700000000 ] - [ 0.0028836000000000, 0.0015367500000000, 0.0006552500000000 ] - [ -0.0027700300000000, 0.0024045700000000, 0.0021434600000000 ] - [ 0.0028836000000000, -0.0015367500000000, 0.0006552500000000 ] - [ 0.0025323000000000, 0.0006682800000000, 0.0009405500000000 ] - [ 0.0021877600000000, 0.0002584200000000, 0.0001147700000000 ] - [ -0.0010806000000000, -0.0012937600000000, -0.0003033400000000 ] - [ 0.0010505000000000, 0.0016669600000000, 0.0036417500000000 ] - [ 0.0035509600000000, 0.0000000000000000, 0.0007812900000000 ] - [ 0.0017899000000000, 0.0000374800000000, -0.0005073500000000 ] - [ 0.0025419800000000, -0.0003718700000000, 0.0007555400000000 ] - [ 0.0022637900000000, -0.0003988100000000, 0.0000955700000000 ] - [ 0.0010505000000000, -0.0016669600000000, 0.0036417500000000 ] - [ 0.0030302900000000, 0.0000000000000000, 0.0001019000000000 ] - [ 0.0037190100000000, 0.0000000000000000, 0.0001386700000000 ] - [ 0.0025419800000000, 0.0003718700000000, 0.0007555400000000 ] - [ 0.0030736500000000, 0.0000000000000000, 0.0004102300000000 ] - [ 0.0038186600000000, 0.0000000000000000, 0.0014937600000000 ] - [ -0.0010806000000000, 0.0012937600000000, -0.0003033400000000 ] - [ 0.0046487300000000, 0.0007932700000000, 0.0007844800000000 ] - [ 0.0022637900000000, 0.0003988100000000, 0.0000955700000000 ] - [ 0.0025323000000000, -0.0006682800000000, 0.0009405500000000 ] - [ 0.0063073400000000, 0.0000000000000000, -0.0006007900000000 ] - [ 0.0017899000000000, -0.0000374800000000, -0.0005073500000000 ] - [ -0.0170677800000000, 0.0000000000000000, 0.0077079700000000 ] - [ -0.0045090800000000, 0.0000000000000000, 0.0010386200000000 ] - [ 0.0020034300000000, 0.0000000000000000, 0.0017260100000000 ] - [ 0.0026627700000000, 0.0000000000000000, 0.0007764100000000 ] - [ 0.0020526500000000, 0.0000000000000000, -0.0000846600000000 ] - [ 0.0017670200000000, 0.0000000000000000, 0.0002409400000000 ] - [ 0.0021303500000000, 0.0000000000000000, -0.0044946700000000 ] - [ 0.0034563100000000, 0.0000000000000000, -0.0023014600000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000188900000000, -0.0024264400000000, 0.0001507900000000 ] - [ -0.0000012300000000, 0.0000020600000000, -0.0000014400000000 ] - [ -0.0000173100000000, 0.0010318500000000, -0.0001477000000000 ] - [ -0.0001707800000000, 0.0037741000000000, 0.0000235200000000 ] - [ 0.0001402500000000, 0.0000019400000000, -0.0000152300000000 ] - [ -0.0000000600000000, 0.0000008800000000, -0.0000028300000000 ] - [ -0.0000168800000000, 0.0000004900000000, 0.0001556300000000 ] - [ 0.0000504500000000, 0.0046898800000000, -0.0000452100000000 ] - [ 0.0000117500000000, -0.0000378700000000, -0.0001570500000000 ] - [ -0.0001439500000000, 0.0000034600000000, 0.0000058200000000 ] - [ 0.0001433000000000, -0.0000038600000000, -0.0000128200000000 ] - [ 0.0000059600000000, -0.0019228600000000, -0.0000033800000000 ] - [ 0.0003557400000000, 0.0001085500000000, -0.0004870400000000 ] - [ -0.0003385100000000, 0.0000054600000000, 0.0004841900000000 ] - [ -0.0001357700000000, -0.0777156100000000, -0.0003822200000000 ] - [ 0.0000349000000000, 0.0000505700000000, 0.0006052200000000 ] - [ 0.0003502200000000, 0.0000018200000000, -0.0004879800000000 ] - [ -0.0003566900000000, 0.0017725700000000, 0.0004707900000000 ] - [ -0.0000456000000000, -0.0000000500000000, -0.0006116500000000 ] - [ 0.0000399300000000, 0.0000227900000000, 0.0006102700000000 ] - [ 0.0000722700000000, 0.0000778800000000, 0.0000117400000000 ] - [ -0.0008797000000000, 0.0423401100000000, -0.0001152900000000 ] - [ -0.0001842100000000, -0.0000299900000000, -0.0002734800000000 ] - [ -0.0005358700000000, -0.0010694000000000, -0.0004544200000000 ] - [ 0.0009258200000000, 0.0000029200000000, 0.0002555900000000 ] - [ -0.0000681700000000, 0.0000011800000000, -0.0000055600000000 ] - [ 0.0005216700000000, 0.0000141000000000, 0.0004420300000000 ] - [ 0.0005276100000000, 0.0471323100000000, 0.0000744400000000 ] - [ -0.0009450900000000, -0.0005001700000000, -0.0003245900000000 ] - [ 0.0002945100000000, 0.0002710400000000, 0.0002789100000000 ] - [ 0.0000829400000000, -0.0000049700000000, 0.0000055500000000 ] - [ -0.0009169500000000, 0.0000022200000000, -0.0002568500000000 ] - [ -0.0001934200000000, 0.0000026600000000, -0.0002743300000000 ] - [ -0.0005322100000000, 0.0000001600000000, -0.0004533700000000 ] - [ 0.0009185400000000, -0.0001204900000000, 0.0002534300000000 ] - [ -0.0001600700000000, -0.0229214500000000, -0.0000239200000000 ] - [ 0.0005232200000000, 0.0000506300000000, 0.0004443400000000 ] - [ 0.0009364800000000, 0.0000063800000000, 0.0003172400000000 ] - [ -0.0009443300000000, 0.0000089900000000, -0.0003229400000000 ] - [ 0.0001796700000000, -0.0000572600000000, 0.0002687600000000 ] - [ -0.0007041600000000, 0.0004776800000000, -0.0002645500000000 ] - [ -0.0005464600000000, 0.0000330600000000, -0.0001985100000000 ] - [ 0.0000575800000000, 0.0000430400000000, -0.0002321200000000 ] - [ 0.0001729300000000, 0.0000011800000000, 0.0000375500000000 ] - [ 0.0001162900000000, 0.0001254400000000, 0.0001109800000000 ] - [ -0.0002472700000000, -0.0000259800000000, -0.0000038800000000 ] - [ -0.0000495800000000, 0.0000198200000000, 0.0002578800000000 ] - [ -0.0026100400000000, -0.0061147700000000, 0.0027476100000000 ] - [ -0.0002447000000000, 0.0000330100000000, 0.0000018400000000 ] - [ 0.0027085900000000, -0.0073352700000000, -0.0024088300000000 ] - [ 0.0007043300000000, 0.0002901100000000, -0.0003052700000000 ] - [ 0.0000928700000000, 0.0000472500000000, -0.0001142600000000 ] - [ -0.0000230800000000, -0.0004653900000000, -0.0000037800000000 ] - [ -0.0003349300000000, 0.0001051800000000, -0.0001039500000000 ] - [ 0.0000452000000000, 0.0051516800000000, -0.0002654600000000 ] - [ 0.0004454200000000, 0.0001631400000000, 0.0000761900000000 ] - [ 0.0002486600000000, -0.0000237800000000, 0.0000550200000000 ] - [ 0.0035832000000000, -0.0100157700000000, 0.0003492100000000 ] - [ -0.0003483500000000, -0.0001053400000000, -0.0001131700000000 ] - [ -0.0001763000000000, 0.0000045700000000, -0.0000407700000000 ] - [ 0.0009507800000000, -0.0000018900000000, 0.0001457200000000 ] - [ 0.0002385700000000, -0.0000847600000000, -0.0000700100000000 ] - [ 0.0000475700000000, -0.0000159000000000, -0.0002652000000000 ] - [ 0.0005534600000000, 0.0000766600000000, 0.0002039100000000 ] - [ -0.0000245400000000, 0.0004663800000000, -0.0000008600000000 ] - [ 0.0004953000000000, 0.0004307800000000, 0.0005955500000000 ] - [ -0.0048449000000000, -0.0098334400000000, -0.0009032300000000 ] - [ -0.0000156600000000, 0.0004931600000000, 0.0005188600000000 ] - [ -0.0009825200000000, 0.0026527400000000, -0.0001525300000000 ] - [ 0.0008741600000000, 0.0002752300000000, 0.0004561000000000 ] - [ -0.0001239700000000, 0.0000319300000000, 0.0001889500000000 ] - [ -0.0005454000000000, -0.0000064100000000, -0.0001994100000000 ] - [ 0.0000756600000000, 0.0000003000000000, -0.0001783500000000 ] - [ 0.0001944000000000, -0.0069307300000000, 0.0000278100000000 ] - [ 0.0001037000000000, 0.0000046100000000, 0.0001106800000000 ] - [ -0.0001412000000000, 0.0127100400000000, -0.0004555600000000 ] - [ -0.0000465700000000, 0.0047537500000000, 0.0002643700000000 ] - [ 0.0000249900000000, 0.0004670400000000, 0.0000023400000000 ] - [ -0.0001319300000000, 0.0126323800000000, 0.0004456500000000 ] - [ 0.0000246900000000, -0.0004650800000000, 0.0000015400000000 ] - [ 0.0003412200000000, -0.0001040400000000, 0.0001061900000000 ] - [ 0.0000754400000000, 0.0000026200000000, -0.0001775000000000 ] - [ -0.0000517500000000, -0.0003992500000000, -0.0000707200000000 ] - [ -0.0003660400000000, 0.0000338000000000, -0.0001527800000000 ] - [ -0.0001051700000000, 0.0000008000000000, -0.0001140400000000 ] - [ 0.0006508900000000, -0.0000523400000000, 0.0002613200000000 ] - [ 0.0002461700000000, 0.0000322300000000, -0.0000047500000000 ] - [ -0.0006532400000000, 0.0000548100000000, -0.0002682000000000 ] - [ -0.0003174800000000, -0.0001739500000000, -0.0000642300000000 ] - [ -0.0001706800000000, 0.0000021200000000, -0.0000399300000000 ] - [ 0.0009480400000000, 0.0000002600000000, 0.0001443100000000 ] - [ 0.0002508100000000, -0.0000292300000000, -0.0000051600000000 ] - [ 0.0000545500000000, 0.0000012000000000, -0.0002644400000000 ] - [ 0.0005497000000000, 0.0000008700000000, 0.0001968700000000 ] - [ -0.0000007900000000, 0.0005352100000000, 0.0000585400000000 ] - [ -0.0000209600000000, 0.0000289800000000, 0.0001562400000000 ] - [ -0.0006534500000000, -0.0000543500000000, -0.0002663700000000 ] - [ 0.0003410800000000, 0.0001054300000000, 0.0001065400000000 ] - [ -0.0009462800000000, 0.0000178700000000, -0.0001475200000000 ] - [ 0.0006525200000000, 0.0000506100000000, 0.0002595300000000 ] - [ 0.0000599300000000, 0.0057935900000000, -0.0001652200000000 ] - [ 0.0001960800000000, -0.0003708400000000, 0.0001840800000000 ] - [ -0.0000521300000000, 0.0000180300000000, 0.0001488300000000 ] - [ -0.0002002700000000, -0.0000554300000000, -0.0001787900000000 ] - [ 0.0000578400000000, 0.0000006900000000, -0.0001568500000000 ] - [ 0.0002048600000000, 0.0000009000000000, 0.0001678900000000 ] - [ -0.0000529300000000, 0.0001667700000000, 0.0001462000000000 ] - [ -0.0002020500000000, -0.0002395700000000, -0.0001770700000000 ]- atom: 15 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0134165100000000, 0.0000000000000000, 0.0204502200000000 ] - [ 0.0007428400000000, 0.0000000000000000, -0.0011179300000000 ] - [ 0.0070451100000000, 0.0000000000000000, -0.0072639500000000 ] - [ -0.0124221200000000, 0.0000000000000000, 0.0075057700000000 ] - [ -0.0009656400000000, 0.0000000000000000, 0.0046756400000000 ] - [ -0.0006690400000000, 0.0000000000000000, 0.0008795800000000 ] - [ -0.0006884500000000, 0.0000000000000000, 0.0003274500000000 ] - [ -0.0167502700000000, 0.0000000000000000, 0.0037249500000000 ] - [ -0.0019338400000000, 0.0000000000000000, -0.0021338600000000 ] - [ 0.0003689400000000, 0.0000000000000000, -0.0003137800000000 ] - [ 0.0013470800000000, 0.0000000000000000, 0.0017329800000000 ] - [ 0.0072511100000000, 0.0000000000000000, 0.0135465200000000 ] - [ -0.0016240500000000, 0.0000000000000000, 0.0174608200000000 ] - [ -0.0056111200000000, 0.0000000000000000, -0.0015207600000000 ] - [ 0.0166367700000000, 0.0000000000000000, -0.1528999100000000 ] - [ 0.0027472200000000, 0.0000000000000000, 0.0029726500000000 ] - [ 0.0007481900000000, 0.0000000000000000, 0.0004931400000000 ] - [ 0.0066432700000000, 0.0000000000000000, -0.0101040400000000 ] - [ -0.0006675700000000, 0.0000000000000000, -0.0017004900000000 ] - [ -0.0044985800000000, 0.0000000000000000, 0.0077249200000000 ] - [ -0.0002693600000000, 0.0000000000000000, 0.0033225400000000 ] - [ 0.0280034400000000, 0.0000000000000000, 0.0112190100000000 ] - [ 0.0027773500000000, 0.0000000000000000, -0.0000046400000000 ] - [ 0.0010614200000000, 0.0000000000000000, 0.0018921400000000 ] - [ 0.0015689600000000, 0.0000000000000000, 0.0005601100000000 ] - [ -0.0010023200000000, 0.0000000000000000, -0.0004489700000000 ] - [ -0.0019741200000000, 0.0000000000000000, -0.0005498900000000 ] - [ 0.0047093900000000, 0.0000000000000000, 0.0005389700000000 ] - [ 0.0029442600000000, 0.0000000000000000, 0.0008673200000000 ] - [ -0.0244120800000000, 0.0000000000000000, 0.0005802800000000 ] - [ 0.0006931200000000, 0.0000000000000000, 0.0002177800000000 ] - [ -0.0018976100000000, 0.0000000000000000, -0.0006265200000000 ] - [ -0.0004727200000000, 0.0000000000000000, -0.0001871100000000 ] - [ 0.0001060100000000, 0.0000000000000000, -0.0001130500000000 ] - [ 0.0040112000000000, 0.0000000000000000, 0.0018916200000000 ] - [ -0.0043086700000000, 0.0000000000000000, -0.0044352800000000 ] - [ 0.0031766200000000, 0.0000000000000000, 0.0017499000000000 ] - [ 0.0003537000000000, 0.0000000000000000, 0.0000948000000000 ] - [ -0.0033114200000000, 0.0000000000000000, -0.0012636100000000 ] - [ 0.0002970500000000, 0.0000000000000000, 0.0002709800000000 ] - [ 0.0093801000000000, -0.0050175000000000, 0.0020840000000000 ] - [ 0.0029324800000000, 0.0000000000000000, -0.0019539400000000 ] - [ -0.0009668500000000, 0.0009143600000000, -0.0034593700000000 ] - [ 0.0013690700000000, 0.0000000000000000, -0.0001916000000000 ] - [ -0.0028224500000000, 0.0000000000000000, -0.0009101200000000 ] - [ 0.0004885300000000, -0.0001229100000000, 0.0005859500000000 ] - [ 0.0004631900000000, 0.0000000000000000, 0.0016626700000000 ] - [ -0.0020407200000000, 0.0118379800000000, 0.0156458500000000 ] - [ 0.0004885300000000, 0.0001229100000000, 0.0005859500000000 ] - [ -0.0020407200000000, -0.0118379800000000, 0.0156458500000000 ] - [ 0.0005591900000000, -0.0014090300000000, -0.0055061500000000 ] - [ -0.0009668500000000, -0.0009143600000000, -0.0034593700000000 ] - [ -0.0001397500000000, -0.0008300200000000, -0.0010225500000000 ] - [ 0.0008106700000000, 0.0006334800000000, -0.0002893800000000 ] - [ -0.0000324600000000, 0.0000000000000000, 0.0174525200000000 ] - [ -0.0024835100000000, -0.0000728700000000, -0.0003045500000000 ] - [ 0.0012878800000000, 0.0002859900000000, -0.0033120400000000 ] - [ -0.0028283100000000, 0.0033465000000000, 0.0070726300000000 ] - [ 0.0008106700000000, -0.0006334800000000, -0.0002893800000000 ] - [ -0.0005962100000000, 0.0000000000000000, -0.0047107200000000 ] - [ -0.0008625400000000, 0.0000000000000000, -0.0007913000000000 ] - [ 0.0012878800000000, -0.0002859900000000, -0.0033120400000000 ] - [ 0.0009440500000000, 0.0000000000000000, -0.0043768000000000 ] - [ 0.0009193800000000, 0.0000000000000000, -0.0033335100000000 ] - [ -0.0001397500000000, 0.0008300200000000, -0.0010225500000000 ] - [ 0.0093801000000000, 0.0050175000000000, 0.0020840000000000 ] - [ -0.0028283100000000, -0.0033465000000000, 0.0070726300000000 ] - [ 0.0005591900000000, 0.0014090300000000, -0.0055061500000000 ] - [ -0.0044350500000000, 0.0000000000000000, 0.0135801000000000 ] - [ -0.0024835100000000, 0.0000728700000000, -0.0003045500000000 ] - [ -0.0004468300000000, -0.0002781700000000, 0.0008268400000000 ] - [ -0.0028012800000000, 0.0000000000000000, -0.0014559900000000 ] - [ 0.0000305400000000, -0.0001071500000000, -0.0004840500000000 ] - [ -0.0231492900000000, 0.0000000000000000, -0.0043889400000000 ] - [ 0.0028816400000000, 0.0000000000000000, -0.0010752600000000 ] - [ 0.0005550800000000, -0.0000836100000000, 0.0106278100000000 ] - [ 0.0041435500000000, 0.0000000000000000, 0.0015316000000000 ] - [ 0.0003436400000000, 0.0007607200000000, 0.0002528400000000 ] - [ 0.0005550800000000, 0.0000836100000000, 0.0106278100000000 ] - [ 0.0003436400000000, -0.0007607200000000, 0.0002528400000000 ] - [ 0.0001655400000000, -0.0003280500000000, -0.0002727400000000 ] - [ 0.0000305400000000, 0.0001071500000000, -0.0004840500000000 ] - [ -0.0013466300000000, -0.0012540200000000, -0.0027500500000000 ] - [ -0.0027842600000000, -0.0002802300000000, 0.0000206100000000 ] - [ 0.0002993200000000, 0.0000000000000000, 0.0002442100000000 ] - [ 0.0017771400000000, -0.0005285200000000, 0.0004779700000000 ] - [ -0.0003274700000000, 0.0000008400000000, -0.0001724100000000 ] - [ -0.0001930600000000, 0.0000358300000000, -0.0000134300000000 ] - [ -0.0027842600000000, 0.0002802300000000, 0.0000206100000000 ] - [ -0.0006164800000000, 0.0000000000000000, -0.0003979200000000 ] - [ 0.0016373100000000, 0.0000000000000000, -0.0009437800000000 ] - [ -0.0003274700000000, -0.0000008400000000, -0.0001724100000000 ] - [ -0.0003713100000000, 0.0000000000000000, -0.0005950200000000 ] - [ -0.0000496000000000, 0.0000000000000000, 0.0000945700000000 ] - [ -0.0013466300000000, 0.0012540200000000, -0.0027500500000000 ] - [ -0.0004468300000000, 0.0002781700000000, 0.0008268400000000 ] - [ -0.0001930600000000, -0.0000358300000000, -0.0000134300000000 ] - [ 0.0001655400000000, 0.0003280500000000, -0.0002727400000000 ] - [ -0.0010476000000000, 0.0000000000000000, -0.0000452300000000 ] - [ 0.0017771400000000, 0.0005285200000000, 0.0004779700000000 ] - [ -0.0103151600000000, 0.0000000000000000, 0.0339041100000000 ] - [ 0.0005735300000000, 0.0000000000000000, -0.0080842800000000 ] - [ -0.0009620100000000, 0.0000000000000000, 0.0005084000000000 ] - [ -0.0006712600000000, 0.0000000000000000, 0.0024063500000000 ] - [ 0.0000357200000000, 0.0000000000000000, 0.0002675800000000 ] - [ 0.0002167900000000, 0.0000000000000000, 0.0000440000000000 ] - [ 0.0045664500000000, 0.0000000000000000, -0.0012960000000000 ] - [ 0.0008977700000000, 0.0000000000000000, 0.0028224000000000 ]- atom: 15 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0136337200000000, 0.0000000000000000, -0.0202228800000000 ] - [ -0.0007371000000000, 0.0000000000000000, 0.0011143400000000 ] - [ -0.0069455400000000, 0.0000000000000000, 0.0069393200000000 ] - [ 0.0120647100000000, 0.0000000000000000, -0.0075203800000000 ] - [ 0.0012317900000000, 0.0000000000000000, -0.0046917900000000 ] - [ 0.0006646300000000, 0.0000000000000000, -0.0008840300000000 ] - [ 0.0006500000000000, 0.0000000000000000, -0.0000103500000000 ] - [ 0.0168450200000000, 0.0000000000000000, -0.0036448500000000 ] - [ 0.0019614300000000, 0.0000000000000000, 0.0018331800000000 ] - [ -0.0006601400000000, 0.0000000000000000, 0.0003157200000000 ] - [ -0.0010462900000000, 0.0000000000000000, -0.0017580900000000 ] - [ -0.0071876500000000, 0.0000000000000000, -0.0135079400000000 ] - [ 0.0023155200000000, 0.0000000000000000, -0.0184470400000000 ] - [ 0.0049209900000000, 0.0000000000000000, 0.0024636600000000 ] - [ -0.0169779300000000, 0.0000000000000000, 0.1528150700000000 ] - [ -0.0026683400000000, 0.0000000000000000, -0.0017377000000000 ] - [ -0.0000460700000000, 0.0000000000000000, -0.0014686500000000 ] - [ -0.0073781800000000, 0.0000000000000000, 0.0109839700000000 ] - [ 0.0005714400000000, 0.0000000000000000, 0.0004808300000000 ] - [ 0.0046292800000000, 0.0000000000000000, -0.0065047200000000 ] - [ 0.0004218300000000, 0.0000000000000000, -0.0033238100000000 ] - [ -0.0297272100000000, 0.0000000000000000, -0.0115239900000000 ] - [ -0.0031724800000000, 0.0000000000000000, -0.0005394700000000 ] - [ -0.0021355100000000, 0.0000000000000000, -0.0027922400000000 ] - [ 0.0002690800000000, 0.0000000000000000, -0.0000520300000000 ] - [ 0.0008731600000000, 0.0000000000000000, 0.0004398100000000 ] - [ 0.0029984200000000, 0.0000000000000000, 0.0014259700000000 ] - [ -0.0027048200000000, 0.0000000000000000, 0.0002390500000000 ] - [ -0.0048446500000000, 0.0000000000000000, -0.0015211800000000 ] - [ 0.0247450700000000, 0.0000000000000000, -0.0000017900000000 ] - [ -0.0005527400000000, 0.0000000000000000, -0.0002159900000000 ] - [ 0.0000621300000000, 0.0000000000000000, 0.0001108200000000 ] - [ 0.0001079900000000, 0.0000000000000000, -0.0003608900000000 ] - [ -0.0011638300000000, 0.0000000000000000, -0.0007888700000000 ] - [ -0.0021528500000000, 0.0000000000000000, -0.0013794100000000 ] - [ 0.0039859400000000, 0.0000000000000000, 0.0043828400000000 ] - [ -0.0021486300000000, 0.0000000000000000, -0.0008701600000000 ] - [ 0.0015504900000000, 0.0000000000000000, 0.0005490200000000 ] - [ 0.0014232600000000, 0.0000000000000000, 0.0006160100000000 ] - [ 0.0000676900000000, 0.0000000000000000, 0.0002662700000000 ] - [ -0.0095316700000000, 0.0050306100000000, -0.0017436900000000 ] - [ -0.0040056500000000, 0.0000000000000000, 0.0015579400000000 ] - [ 0.0011319500000000, -0.0009259100000000, 0.0031128900000000 ] - [ -0.0010171900000000, 0.0000000000000000, 0.0002646700000000 ] - [ 0.0030234600000000, 0.0000000000000000, 0.0011193400000000 ] - [ -0.0009828500000000, 0.0000670900000000, -0.0005867700000000 ] - [ -0.0005719800000000, 0.0000000000000000, -0.0011366600000000 ] - [ 0.0022386100000000, -0.0102278700000000, -0.0148287600000000 ] - [ -0.0009828500000000, -0.0000670900000000, -0.0005867700000000 ] - [ 0.0022386100000000, 0.0102278700000000, -0.0148287600000000 ] - [ 0.0001360600000000, 0.0012093700000000, 0.0057185100000000 ] - [ 0.0011319500000000, 0.0009259100000000, 0.0031128900000000 ] - [ 0.0000944000000000, -0.0001020600000000, 0.0010151500000000 ] - [ -0.0014847900000000, -0.0004209600000000, 0.0000761400000000 ] - [ -0.0001866000000000, 0.0000000000000000, -0.0177244500000000 ] - [ 0.0037982900000000, -0.0000307000000000, 0.0008146600000000 ] - [ -0.0008040300000000, -0.0002294100000000, 0.0033051400000000 ] - [ 0.0012819800000000, -0.0033269100000000, -0.0077785400000000 ] - [ -0.0014847900000000, 0.0004209600000000, 0.0000761400000000 ] - [ 0.0002288000000000, 0.0000000000000000, 0.0046238800000000 ] - [ 0.0027878000000000, 0.0000000000000000, 0.0010744900000000 ] - [ -0.0008040300000000, 0.0002294100000000, 0.0033051400000000 ] - [ -0.0008508700000000, 0.0000000000000000, 0.0038501100000000 ] - [ 0.0001986900000000, 0.0000000000000000, 0.0037287400000000 ] - [ 0.0000944000000000, 0.0001020600000000, 0.0010151500000000 ] - [ -0.0095316700000000, -0.0050306100000000, -0.0017436900000000 ] - [ 0.0012819800000000, 0.0033269100000000, -0.0077785400000000 ] - [ 0.0001360600000000, -0.0012093700000000, 0.0057185100000000 ] - [ 0.0019770600000000, 0.0000000000000000, -0.0136278600000000 ] - [ 0.0037982900000000, 0.0000307000000000, 0.0008146600000000 ] - [ 0.0003078000000000, 0.0002839500000000, -0.0004814100000000 ] - [ 0.0017034000000000, 0.0000000000000000, 0.0010564700000000 ] - [ 0.0001132000000000, 0.0001053400000000, 0.0001290400000000 ] - [ 0.0234353600000000, 0.0000000000000000, 0.0044190600000000 ] - [ -0.0026935100000000, 0.0000000000000000, 0.0012805300000000 ] - [ -0.0009753000000000, 0.0000591000000000, -0.0106392100000000 ] - [ -0.0041577700000000, 0.0000000000000000, -0.0009694100000000 ] - [ -0.0002924100000000, 0.0001724800000000, -0.0002502700000000 ] - [ -0.0009753000000000, -0.0000591000000000, -0.0106392100000000 ] - [ -0.0002924100000000, -0.0001724800000000, -0.0002502700000000 ] - [ 0.0005160600000000, 0.0001209100000000, 0.0004885100000000 ] - [ 0.0001132000000000, -0.0001053400000000, 0.0001290400000000 ] - [ 0.0012843900000000, 0.0003182800000000, 0.0027386000000000 ] - [ 0.0020936000000000, 0.0004897300000000, -0.0002244500000000 ] - [ -0.0005052500000000, 0.0000000000000000, -0.0004676200000000 ] - [ -0.0004795600000000, 0.0004259800000000, 0.0000370700000000 ] - [ 0.0008212400000000, 0.0000578200000000, 0.0001587300000000 ] - [ -0.0011144000000000, 0.0000739900000000, -0.0005264800000000 ] - [ 0.0020936000000000, -0.0004897300000000, -0.0002244500000000 ] - [ 0.0002719200000000, 0.0000000000000000, 0.0003217800000000 ] - [ 0.0002416600000000, 0.0000000000000000, 0.0012329700000000 ] - [ 0.0008212400000000, -0.0000578200000000, 0.0001587300000000 ] - [ 0.0004743600000000, 0.0000000000000000, 0.0000635200000000 ] - [ 0.0011479200000000, 0.0000000000000000, 0.0003045000000000 ] - [ 0.0012843900000000, -0.0003182800000000, 0.0027386000000000 ] - [ 0.0003078000000000, -0.0002839500000000, -0.0004814100000000 ] - [ -0.0011144000000000, -0.0000739900000000, -0.0005264800000000 ] - [ 0.0005160600000000, -0.0001209100000000, 0.0004885100000000 ] - [ -0.0008292700000000, 0.0000000000000000, -0.0002504800000000 ] - [ -0.0004795600000000, -0.0004259800000000, 0.0000370700000000 ] - [ 0.0113244700000000, 0.0000000000000000, -0.0365439700000000 ] - [ -0.0001474100000000, 0.0000000000000000, 0.0084301900000000 ] - [ 0.0008432600000000, 0.0000000000000000, -0.0002245400000000 ] - [ 0.0002557600000000, 0.0000000000000000, -0.0027509200000000 ] - [ 0.0000816800000000, 0.0000000000000000, -0.0005820500000000 ] - [ 0.0001924600000000, 0.0000000000000000, 0.0002868100000000 ] - [ -0.0047077200000000, 0.0000000000000000, 0.0015757500000000 ] - [ -0.0012961900000000, 0.0000000000000000, -0.0031901500000000 ]- atom: 21 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0142503500000000, 0.0000000000000000, -0.0149842500000000 ] - [ 0.0029701500000000, 0.0000000000000000, -0.0001065300000000 ] - [ 0.0012891900000000, 0.0000000000000000, -0.0014611700000000 ] - [ -0.0007935400000000, 0.0000000000000000, 0.0033770400000000 ] - [ 0.0041670900000000, 0.0000000000000000, 0.0022731600000000 ] - [ 0.0027614200000000, 0.0000000000000000, 0.0005566100000000 ] - [ 0.0040271900000000, 0.0000000000000000, 0.0006317100000000 ] - [ -0.0079008600000000, 0.0000000000000000, 0.0140629300000000 ] - [ 0.0027119000000000, 0.0000000000000000, 0.0036124500000000 ] - [ 0.0019189000000000, 0.0000000000000000, 0.0001028500000000 ] - [ 0.0028199700000000, 0.0000000000000000, -0.0020985900000000 ] - [ -0.0078972600000000, 0.0000000000000000, -0.0028173400000000 ] - [ -0.0290051900000000, 0.0000000000000000, 0.0034425800000000 ] - [ 0.0024522000000000, 0.0000000000000000, 0.0014037300000000 ] - [ -0.0070057600000000, 0.0000000000000000, -0.0015406500000000 ] - [ 0.0061587500000000, 0.0000000000000000, 0.0001718600000000 ] - [ 0.0055559000000000, 0.0000000000000000, -0.0007719600000000 ] - [ -0.0019797700000000, 0.0000000000000000, 0.0026921900000000 ] - [ 0.0038118100000000, 0.0000000000000000, 0.0003404500000000 ] - [ 0.0394043400000000, 0.0000000000000000, -0.0002745500000000 ] - [ -0.6560225700000000, 0.0000000000000000, -0.1452490200000000 ] - [ -0.0063985700000000, 0.0000000000000000, -0.0016847900000000 ] - [ 0.0064846500000000, 0.0000000000000000, -0.0002668900000000 ] - [ 0.0051379300000000, 0.0000000000000000, 0.0042979400000000 ] - [ 0.0048177100000000, 0.0000000000000000, 0.0014896800000000 ] - [ 0.0023190100000000, 0.0000000000000000, 0.0007170300000000 ] - [ 0.0035361900000000, 0.0000000000000000, 0.0017860200000000 ] - [ -0.0045515700000000, 0.0000000000000000, -0.0018495200000000 ] - [ 0.0025500700000000, 0.0000000000000000, 0.0007279900000000 ] - [ -0.0001375400000000, 0.0000000000000000, 0.0003969900000000 ] - [ 0.0034703300000000, 0.0000000000000000, 0.0010979900000000 ] - [ 0.0020627100000000, 0.0000000000000000, 0.0006735600000000 ] - [ 0.0056995000000000, 0.0000000000000000, 0.0000556700000000 ] - [ 0.0019447200000000, 0.0000000000000000, 0.0005519700000000 ] - [ -0.0068129200000000, 0.0000000000000000, -0.0055164400000000 ] - [ -0.0013457300000000, 0.0000000000000000, -0.0000525700000000 ] - [ 0.0004538500000000, 0.0000000000000000, 0.0002209500000000 ] - [ 0.0038347600000000, 0.0000000000000000, 0.0012780100000000 ] - [ 0.0039216500000000, 0.0000000000000000, 0.0014093500000000 ] - [ 0.0026451000000000, 0.0000000000000000, 0.0003812300000000 ] - [ -0.0003602300000000, -0.0003048000000000, -0.0000184700000000 ] - [ -0.0025029700000000, 0.0000000000000000, -0.0017452500000000 ] - [ -0.0031564500000000, 0.0022594100000000, -0.0015277400000000 ] - [ -0.0023332200000000, 0.0000000000000000, -0.0003938200000000 ] - [ -0.0025417500000000, 0.0000000000000000, -0.0005004200000000 ] - [ -0.0018008600000000, 0.0001426400000000, -0.0003221500000000 ] - [ -0.0018448700000000, 0.0000000000000000, -0.0002238600000000 ] - [ 0.0027436700000000, 0.0012929400000000, 0.0000193700000000 ] - [ -0.0018008600000000, -0.0001426400000000, -0.0003221500000000 ] - [ 0.0027436700000000, -0.0012929400000000, 0.0000193700000000 ] - [ 0.0002751600000000, 0.0005066000000000, -0.0069626900000000 ] - [ -0.0031564500000000, -0.0022594100000000, -0.0015277400000000 ] - [ -0.0020437000000000, -0.0012084000000000, -0.0006252400000000 ] - [ -0.0018574100000000, -0.0004797000000000, -0.0010280800000000 ] - [ 0.0048673100000000, 0.0000000000000000, 0.0003775700000000 ] - [ -0.0019847300000000, -0.0001179100000000, 0.0004806300000000 ] - [ 0.1599979300000000, -0.1195035800000000, 0.0288885400000000 ] - [ 0.0012866700000000, -0.0015227800000000, 0.0022516800000000 ] - [ -0.0018574100000000, 0.0004797000000000, -0.0010280800000000 ] - [ 0.0099315900000000, 0.0000000000000000, 0.0038634400000000 ] - [ -0.0059526200000000, 0.0000000000000000, 0.0005504000000000 ] - [ 0.1599979300000000, 0.1195035800000000, 0.0288885400000000 ] - [ 0.3167630500000000, 0.0000000000000000, 0.0880465400000000 ] - [ -0.0024169100000000, 0.0000000000000000, -0.0009986100000000 ] - [ -0.0020437000000000, 0.0012084000000000, -0.0006252400000000 ] - [ -0.0003602300000000, 0.0003048000000000, -0.0000184700000000 ] - [ 0.0012866700000000, 0.0015227800000000, 0.0022516800000000 ] - [ 0.0002751600000000, -0.0005066000000000, -0.0069626900000000 ] - [ 0.0001660600000000, 0.0000000000000000, -0.0009880000000000 ] - [ -0.0019847300000000, 0.0001179100000000, 0.0004806300000000 ] - [ -0.0010264100000000, 0.0004931400000000, -0.0004065500000000 ] - [ -0.0009249400000000, 0.0000000000000000, 0.0005918000000000 ] - [ -0.0027231900000000, 0.0008109500000000, -0.0002033300000000 ] - [ 0.0041822200000000, 0.0000000000000000, 0.0009261500000000 ] - [ -0.0028252700000000, 0.0000000000000000, -0.0009370800000000 ] - [ 0.0016733200000000, 0.0006476200000000, -0.0013948000000000 ] - [ 0.0009643800000000, 0.0000000000000000, 0.0000745300000000 ] - [ -0.0014300500000000, -0.0000980300000000, -0.0005087200000000 ] - [ 0.0016733200000000, -0.0006476200000000, -0.0013948000000000 ] - [ -0.0014300500000000, 0.0000980300000000, -0.0005087200000000 ] - [ -0.0010378800000000, -0.0005163800000000, -0.0001616700000000 ] - [ -0.0027231900000000, -0.0008109500000000, -0.0002033300000000 ] - [ 0.0010441500000000, 0.0029467300000000, 0.0048424500000000 ] - [ 0.0000461700000000, -0.0000148000000000, 0.0002737400000000 ] - [ -0.0023938400000000, 0.0000000000000000, -0.0007049800000000 ] - [ -0.0027046000000000, 0.0003791100000000, -0.0012886000000000 ] - [ -0.0019621200000000, 0.0002891800000000, -0.0004247500000000 ] - [ -0.0023685900000000, 0.0004165600000000, -0.0009549100000000 ] - [ 0.0000461700000000, 0.0000148000000000, 0.0002737400000000 ] - [ -0.0036125600000000, 0.0000000000000000, -0.0004148500000000 ] - [ -0.0054993200000000, 0.0000000000000000, 0.0021527900000000 ] - [ -0.0019621200000000, -0.0002891800000000, -0.0004247500000000 ] - [ -0.0027253700000000, 0.0000000000000000, -0.0007197200000000 ] - [ -0.0016121200000000, 0.0000000000000000, -0.0000917300000000 ] - [ 0.0010441500000000, -0.0029467300000000, 0.0048424500000000 ] - [ -0.0010264100000000, -0.0004931400000000, -0.0004065500000000 ] - [ -0.0023685900000000, -0.0004165600000000, -0.0009549100000000 ] - [ -0.0010378800000000, 0.0005163800000000, -0.0001616700000000 ] - [ -0.0030973900000000, 0.0000000000000000, -0.0000475200000000 ] - [ -0.0027046000000000, -0.0003791100000000, -0.0012886000000000 ] - [ 0.0068619400000000, 0.0000000000000000, 0.0023533800000000 ] - [ 0.0063564400000000, 0.0000000000000000, 0.0049782300000000 ] - [ -0.0013275600000000, 0.0000000000000000, 0.0007136400000000 ] - [ -0.0010381100000000, 0.0000000000000000, 0.0001472300000000 ] - [ -0.0013050600000000, 0.0000000000000000, -0.0003495600000000 ] - [ -0.0011998300000000, 0.0000000000000000, 0.0002369300000000 ] - [ -0.0030328400000000, 0.0000000000000000, -0.0053613700000000 ] - [ -0.0004542300000000, 0.0000000000000000, -0.0024709200000000 ]- atom: 21 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0144209200000000, 0.0000000000000000, 0.0154182700000000 ] - [ -0.0029765100000000, 0.0000000000000000, 0.0001089900000000 ] - [ -0.0012420300000000, 0.0000000000000000, 0.0011478200000000 ] - [ 0.0005214500000000, 0.0000000000000000, -0.0033614900000000 ] - [ -0.0038839400000000, 0.0000000000000000, -0.0022954600000000 ] - [ -0.0027647000000000, 0.0000000000000000, -0.0005576100000000 ] - [ -0.0040747600000000, 0.0000000000000000, -0.0003079600000000 ] - [ 0.0078852600000000, 0.0000000000000000, -0.0141341100000000 ] - [ -0.0026818400000000, 0.0000000000000000, -0.0039275000000000 ] - [ -0.0022070200000000, 0.0000000000000000, -0.0000922200000000 ] - [ -0.0025420100000000, 0.0000000000000000, 0.0020774600000000 ] - [ 0.0078861900000000, 0.0000000000000000, 0.0028504900000000 ] - [ 0.0300077300000000, 0.0000000000000000, -0.0045124700000000 ] - [ -0.0031534800000000, 0.0000000000000000, -0.0004279700000000 ] - [ 0.0069564800000000, 0.0000000000000000, 0.0003154100000000 ] - [ -0.0060766500000000, 0.0000000000000000, 0.0010294600000000 ] - [ -0.0048584500000000, 0.0000000000000000, -0.0002052500000000 ] - [ 0.0012716500000000, 0.0000000000000000, -0.0017407400000000 ] - [ -0.0039123200000000, 0.0000000000000000, -0.0015437100000000 ] - [ -0.0389059000000000, 0.0000000000000000, 0.0015368600000000 ] - [ 0.6780657800000000, 0.0000000000000000, 0.1539672100000000 ] - [ 0.0045790000000000, 0.0000000000000000, 0.0011767200000000 ] - [ -0.0068792600000000, 0.0000000000000000, -0.0002683900000000 ] - [ -0.0061829700000000, 0.0000000000000000, -0.0051915500000000 ] - [ -0.0029928800000000, 0.0000000000000000, -0.0009822800000000 ] - [ -0.0024601700000000, 0.0000000000000000, -0.0007216200000000 ] - [ -0.0024917100000000, 0.0000000000000000, -0.0008922600000000 ] - [ 0.0065217300000000, 0.0000000000000000, 0.0025214000000000 ] - [ -0.0044700800000000, 0.0000000000000000, -0.0013848800000000 ] - [ 0.0005254900000000, 0.0000000000000000, 0.0001464500000000 ] - [ -0.0033394400000000, 0.0000000000000000, -0.0010958400000000 ] - [ -0.0039006400000000, 0.0000000000000000, -0.0011838700000000 ] - [ -0.0060795500000000, 0.0000000000000000, -0.0005947300000000 ] - [ -0.0030088500000000, 0.0000000000000000, -0.0014542200000000 ] - [ 0.0085642200000000, 0.0000000000000000, 0.0060242500000000 ] - [ 0.0011797900000000, 0.0000000000000000, 0.0000402300000000 ] - [ 0.0005616100000000, 0.0000000000000000, 0.0006568500000000 ] - [ -0.0019086100000000, 0.0000000000000000, -0.0006189300000000 ] - [ -0.0058513400000000, 0.0000000000000000, -0.0020688900000000 ] - [ -0.0022825600000000, 0.0000000000000000, 0.0001601900000000 ] - [ 0.0002117300000000, 0.0003062600000000, 0.0003670600000000 ] - [ 0.0014038400000000, 0.0000000000000000, 0.0013552900000000 ] - [ 0.0033007500000000, -0.0022786300000000, 0.0011986000000000 ] - [ 0.0026909900000000, 0.0000000000000000, 0.0004719800000000 ] - [ 0.0027498200000000, 0.0000000000000000, 0.0007154900000000 ] - [ 0.0013078200000000, -0.0001999300000000, 0.0003292800000000 ] - [ 0.0017426800000000, 0.0000000000000000, 0.0007505800000000 ] - [ -0.0027016000000000, -0.0003639300000000, -0.0000193200000000 ] - [ 0.0013078200000000, 0.0001999300000000, 0.0003292800000000 ] - [ -0.0027016000000000, 0.0003639300000000, -0.0000193200000000 ] - [ 0.0004028600000000, -0.0007116000000000, 0.0071942000000000 ] - [ 0.0033007500000000, 0.0022786300000000, 0.0011986000000000 ] - [ 0.0019983500000000, 0.0002788400000000, 0.0006243800000000 ] - [ 0.0011737900000000, 0.0006836000000000, 0.0008122200000000 ] - [ -0.0050952200000000, 0.0000000000000000, -0.0005946100000000 ] - [ 0.0033048400000000, 0.0000118300000000, 0.0000454700000000 ] - [ -0.1579741700000000, 0.1138009100000000, -0.0277208100000000 ] - [ -0.0026031600000000, 0.0016391900000000, -0.0027996600000000 ] - [ 0.0011737900000000, -0.0006836000000000, 0.0008122200000000 ] - [ -0.0102573100000000, 0.0000000000000000, -0.0039562500000000 ] - [ 0.0078591200000000, 0.0000000000000000, -0.0002611500000000 ] - [ -0.1579741700000000, -0.1138009100000000, -0.0277208100000000 ] - [ -0.3421209200000000, 0.0000000000000000, -0.0996797700000000 ] - [ 0.0035051700000000, 0.0000000000000000, 0.0013975100000000 ] - [ 0.0019983500000000, -0.0002788400000000, 0.0006243800000000 ] - [ 0.0002117300000000, -0.0003062600000000, 0.0003670600000000 ] - [ -0.0026031600000000, -0.0016391900000000, -0.0027996600000000 ] - [ 0.0004028600000000, 0.0007116000000000, 0.0071942000000000 ] - [ -0.0020654300000000, 0.0000000000000000, 0.0006964200000000 ] - [ 0.0033048400000000, -0.0000118300000000, 0.0000454700000000 ] - [ 0.0008857900000000, -0.0004905400000000, 0.0007549500000000 ] - [ -0.0001657900000000, 0.0000000000000000, -0.0009874800000000 ] - [ 0.0028696500000000, -0.0008117500000000, -0.0001453300000000 ] - [ -0.0038332600000000, 0.0000000000000000, -0.0008574500000000 ] - [ 0.0030461200000000, 0.0000000000000000, 0.0011423600000000 ] - [ -0.0021658600000000, -0.0007146500000000, 0.0014124900000000 ] - [ -0.0010549500000000, 0.0000000000000000, 0.0004506600000000 ] - [ 0.0014819300000000, 0.0010288400000000, 0.0005142700000000 ] - [ -0.0021658600000000, 0.0007146500000000, 0.0014124900000000 ] - [ 0.0014819300000000, -0.0010288400000000, 0.0005142700000000 ] - [ 0.0017266000000000, 0.0003144100000000, 0.0003828200000000 ] - [ 0.0028696500000000, 0.0008117500000000, -0.0001453300000000 ] - [ -0.0010696100000000, -0.0038582100000000, -0.0048246300000000 ] - [ -0.0007250800000000, 0.0002197800000000, -0.0004923000000000 ] - [ 0.0021948000000000, 0.0000000000000000, 0.0004925600000000 ] - [ 0.0040139400000000, -0.0004950200000000, 0.0018165200000000 ] - [ 0.0024628500000000, -0.0002350100000000, 0.0004176200000000 ] - [ 0.0010638000000000, -0.0003091800000000, 0.0004241500000000 ] - [ -0.0007250800000000, -0.0002197800000000, -0.0004923000000000 ] - [ 0.0032676400000000, 0.0000000000000000, 0.0003434300000000 ] - [ 0.0073654200000000, 0.0000000000000000, -0.0018492200000000 ] - [ 0.0024628500000000, 0.0002350100000000, 0.0004176200000000 ] - [ 0.0028306600000000, 0.0000000000000000, 0.0001944900000000 ] - [ 0.0027143500000000, 0.0000000000000000, 0.0004902900000000 ] - [ -0.0010696100000000, 0.0038582100000000, -0.0048246300000000 ] - [ 0.0008857900000000, 0.0004905400000000, 0.0007549500000000 ] - [ 0.0010638000000000, 0.0003091800000000, 0.0004241500000000 ] - [ 0.0017266000000000, -0.0003144100000000, 0.0003828200000000 ] - [ 0.0012170800000000, 0.0000000000000000, -0.0002436200000000 ] - [ 0.0040139400000000, 0.0004950200000000, 0.0018165200000000 ] - [ -0.0067948500000000, 0.0000000000000000, -0.0026502000000000 ] - [ -0.0059874600000000, 0.0000000000000000, -0.0046371600000000 ] - [ 0.0012157000000000, 0.0000000000000000, -0.0004180200000000 ] - [ 0.0006319500000000, 0.0000000000000000, -0.0004890200000000 ] - [ 0.0014221300000000, 0.0000000000000000, 0.0000464600000000 ] - [ 0.0016092100000000, 0.0000000000000000, 0.0001008900000000 ] - [ 0.0029427900000000, 0.0000000000000000, 0.0056435100000000 ] - [ 0.0000574800000000, 0.0000000000000000, 0.0021339700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000005300000000, -0.0009283800000000, 0.0001340100000000 ] - [ 0.0000024800000000, -0.0000000500000000, 0.0000017500000000 ] - [ 0.0000270600000000, 0.0000016900000000, -0.0001648600000000 ] - [ -0.0001429500000000, 0.0000330200000000, 0.0000107800000000 ] - [ 0.0001496500000000, 0.0000994200000000, -0.0000034300000000 ] - [ 0.0000083700000000, 0.0000011000000000, -0.0000004500000000 ] - [ -0.0000230700000000, -0.0000348300000000, 0.0001642700000000 ] - [ 0.0000119700000000, 0.0170233200000000, 0.0000690300000000 ] - [ 0.0000325900000000, 0.0000771100000000, -0.0001549600000000 ] - [ -0.0001406400000000, 0.0000003100000000, 0.0000038700000000 ] - [ 0.0001492500000000, 0.0002512500000000, -0.0000086100000000 ] - [ -0.0000171100000000, -0.0012633900000000, 0.0000070600000000 ] - [ 0.0001117800000000, 0.0414468600000000, -0.0006845800000000 ] - [ -0.0003430700000000, -0.0000051100000000, 0.0004907700000000 ] - [ -0.0000610200000000, 0.0000800400000000, -0.0006108000000000 ] - [ 0.0000646100000000, 0.0000007500000000, 0.0006081000000000 ] - [ 0.0003543000000000, -0.0000021200000000, -0.0004856900000000 ] - [ -0.0003499000000000, -0.0000226100000000, 0.0004866700000000 ] - [ -0.0000481200000000, -0.0000021200000000, -0.0006061700000000 ] - [ 0.0000846600000000, -0.0229326400000000, 0.0005849300000000 ] - [ -0.0131619600000000, -0.7110372700000001, -0.0040098800000000 ] - [ -0.0009248400000000, -0.0000268700000000, -0.0002557700000000 ] - [ -0.0001853600000000, -0.0021502900000000, -0.0002720600000000 ] - [ -0.0005181700000000, -0.0003744400000000, -0.0004317900000000 ] - [ 0.0009208400000000, -0.0000094700000000, 0.0002543700000000 ] - [ -0.0000676300000000, -0.0000014900000000, -0.0000022000000000 ] - [ 0.0005193800000000, 0.0000160600000000, 0.0004453500000000 ] - [ 0.0009469200000000, 0.0001303200000000, 0.0003271200000000 ] - [ -0.0009374400000000, 0.0000493300000000, -0.0003207700000000 ] - [ 0.0001901200000000, -0.0000015000000000, 0.0002712700000000 ] - [ 0.0000767800000000, -0.0000011400000000, 0.0000057200000000 ] - [ -0.0009072400000000, 0.0000003300000000, -0.0002507400000000 ] - [ -0.0001770400000000, -0.0000999200000000, -0.0002680300000000 ] - [ -0.0005286100000000, 0.0000053200000000, -0.0004502900000000 ] - [ 0.0009308600000000, 0.0128929700000000, 0.0002531900000000 ] - [ -0.0000760500000000, 0.0008403400000000, -0.0000036000000000 ] - [ 0.0005205800000000, -0.0002489600000000, 0.0004457900000000 ] - [ 0.0009567400000000, 0.0000239200000000, 0.0003269800000000 ] - [ -0.0009428700000000, -0.0022017700000000, -0.0003215900000000 ] - [ 0.0001900800000000, 0.0000068300000000, 0.0002698600000000 ] - [ -0.0000723000000000, -0.0000037200000000, 0.0001721600000000 ] - [ -0.0005513100000000, 0.0000046700000000, -0.0002002400000000 ] - [ -0.0016388200000000, 0.0011391600000000, -0.0001117600000000 ] - [ 0.0001702500000000, -0.0000004000000000, 0.0000380400000000 ] - [ 0.0001018300000000, -0.0000085700000000, 0.0001077000000000 ] - [ -0.0002482800000000, -0.0000309500000000, 0.0000033900000000 ] - [ -0.0000534500000000, -0.0000002100000000, 0.0002626900000000 ] - [ 0.0000158300000000, 0.0004820100000000, -0.0000040500000000 ] - [ -0.0002483800000000, 0.0000308200000000, 0.0000038100000000 ] - [ 0.0000385400000000, -0.0004541200000000, 0.0000127900000000 ] - [ 0.0008968600000000, -0.0002470900000000, -0.0002163000000000 ] - [ 0.0017823400000000, 0.0011187200000000, -0.0002441700000000 ] - [ -0.0000186700000000, -0.0004617700000000, -0.0000048200000000 ] - [ -0.0003413500000000, 0.0000984300000000, -0.0001041700000000 ] - [ -0.0001028500000000, -0.0000202400000000, -0.0001103800000000 ] - [ 0.0006692200000000, -0.0000722300000000, 0.0002506200000000 ] - [ -0.1053039300000000, 0.2859747400000000, -0.0361205000000000 ] - [ -0.0006509700000000, -0.0000128700000000, -0.0002200800000000 ] - [ -0.0003443700000000, -0.0001063700000000, -0.0001143400000000 ] - [ -0.0001797000000000, -0.0062782700000000, -0.0000209800000000 ] - [ 0.0009409300000000, 0.0005850200000000, 0.0001470000000000 ] - [ 0.1183402600000000, 0.3064640800000000, 0.0399828400000000 ] - [ 0.0008805100000000, 0.0894692100000000, 0.0000219300000000 ] - [ 0.0005457100000000, 0.0002139100000000, 0.0001977400000000 ] - [ -0.0000331600000000, 0.0004740200000000, -0.0000066600000000 ] - [ -0.0000685000000000, -0.0000005700000000, 0.0001763400000000 ] - [ -0.0006607900000000, -0.0001169900000000, -0.0003054000000000 ] - [ -0.0002206900000000, -0.0000697300000000, 0.0004164300000000 ] - [ -0.0009513100000000, -0.0000002100000000, -0.0001475100000000 ] - [ 0.0006362400000000, 0.0000411600000000, 0.0002807000000000 ] - [ -0.0000687100000000, -0.0000033900000000, 0.0001728200000000 ] - [ -0.0005488000000000, 0.0000199600000000, -0.0001957500000000 ] - [ 0.0001032900000000, -0.0000258900000000, -0.0001253400000000 ] - [ 0.0001803600000000, 0.0000119400000000, 0.0000417000000000 ] - [ 0.0001162600000000, -0.0017543300000000, 0.0001122100000000 ] - [ -0.0001111200000000, -0.0007272800000000, 0.0006571200000000 ] - [ -0.0000456800000000, -0.0001226500000000, 0.0002616200000000 ] - [ 0.0000225800000000, 0.0004660700000000, 0.0000036900000000 ] - [ -0.0003728500000000, -0.0006648200000000, -0.0006505600000000 ] - [ 0.0000226700000000, -0.0004662200000000, 0.0000031900000000 ] - [ 0.0003394200000000, -0.0001006000000000, 0.0001104000000000 ] - [ 0.0000267900000000, -0.0000271800000000, -0.0002198700000000 ] - [ 0.0022567400000000, -0.0049423100000000, -0.0042330900000000 ] - [ -0.0002558000000000, 0.0002052400000000, -0.0002115200000000 ] - [ -0.0001116600000000, -0.0000061600000000, -0.0001102100000000 ] - [ 0.0014973200000000, 0.0005911500000000, 0.0011291300000000 ] - [ 0.0002418400000000, 0.0000318600000000, -0.0000047800000000 ] - [ -0.0006524500000000, 0.0000437800000000, -0.0002566500000000 ] - [ -0.0004236400000000, -0.0000000600000000, -0.0000008500000000 ] - [ -0.0001776600000000, 0.0000033600000000, -0.0000391800000000 ] - [ 0.0009315700000000, -0.0001900000000000, 0.0001537200000000 ] - [ 0.0002427100000000, -0.0000326900000000, -0.0000044700000000 ] - [ 0.0000459000000000, -0.0000013300000000, -0.0002619000000000 ] - [ 0.0005435200000000, 0.0000108500000000, 0.0001970500000000 ] - [ -0.0023096000000000, -0.0040027100000000, 0.0042357300000000 ] - [ -0.0000775700000000, -0.0000106600000000, 0.0001700500000000 ] - [ -0.0006708400000000, -0.0000679100000000, -0.0002800500000000 ] - [ 0.0003391300000000, 0.0001038600000000, 0.0001044100000000 ] - [ -0.0009518400000000, -0.0000019500000000, -0.0001480000000000 ] - [ -0.0001872400000000, 0.0007043600000000, -0.0006006400000000 ] - [ 0.0000639500000000, 0.0028430400000000, -0.0001395400000000 ] - [ 0.0002402100000000, -0.0056734100000000, 0.0001643700000000 ] - [ -0.0000573400000000, 0.0000015300000000, 0.0001525600000000 ] - [ -0.0002029700000000, -0.0000005200000000, -0.0001698100000000 ] - [ 0.0000519200000000, -0.0000011600000000, -0.0001524800000000 ] - [ 0.0001980800000000, 0.0000058100000000, 0.0001717300000000 ] - [ -0.0000629100000000, 0.0038749900000000, 0.0001419600000000 ] - [ -0.0002006300000000, 0.0000578500000000, -0.0001762100000000 ]- atom: 21 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0025254900000000, 0.0000000000000000, -0.0043787000000000 ] - [ 0.0006955300000000, 0.0000000000000000, -0.0000725600000000 ] - [ 0.0000353300000000, 0.0000000000000000, -0.0005709400000000 ] - [ -0.0002712300000000, 0.0000000000000000, 0.0012807500000000 ] - [ 0.0012284800000000, 0.0000000000000000, 0.0006302500000000 ] - [ 0.0006682400000000, 0.0000000000000000, 0.0001731200000000 ] - [ 0.0009690600000000, 0.0000000000000000, 0.0002114300000000 ] - [ 0.0011052100000000, 0.0000000000000000, 0.0044424600000000 ] - [ 0.0008608600000000, 0.0000000000000000, 0.0007930300000000 ] - [ 0.0003323500000000, 0.0000000000000000, 0.0000986700000000 ] - [ 0.0005584500000000, 0.0000000000000000, -0.0004530600000000 ] - [ -0.0026247500000000, 0.0000000000000000, 0.0021161300000000 ] - [ -0.0015844500000000, 0.0000000000000000, -0.0005455200000000 ] - [ 0.0001961500000000, 0.0000000000000000, 0.0008347800000000 ] - [ -0.0025485700000000, 0.0000000000000000, 0.0025753200000000 ] - [ 0.0016197100000000, 0.0000000000000000, 0.0003650600000000 ] - [ 0.0015728000000000, 0.0000000000000000, -0.0005804500000000 ] - [ -0.0005939500000000, 0.0000000000000000, 0.0013993700000000 ] - [ 0.0008705400000000, 0.0000000000000000, -0.0003654500000000 ] - [ 0.0050486500000000, 0.0000000000000000, -0.0030479900000000 ] - [ -0.0920801300000000, 0.0000000000000000, -0.2698314400000000 ] - [ -0.0016857200000000, 0.0000000000000000, -0.0004292100000000 ] - [ 0.0015952900000000, 0.0000000000000000, -0.0004418300000000 ] - [ 0.0013239600000000, 0.0000000000000000, 0.0008695000000000 ] - [ 0.0018829800000000, 0.0000000000000000, 0.0005613000000000 ] - [ 0.0004472300000000, 0.0000000000000000, 0.0001482700000000 ] - [ 0.0013370800000000, 0.0000000000000000, 0.0008227500000000 ] - [ -0.0009814200000000, 0.0000000000000000, -0.0001633000000000 ] - [ -0.0001077000000000, 0.0000000000000000, -0.0000859700000000 ] - [ -0.0002770000000000, 0.0000000000000000, 0.0003015000000000 ] - [ 0.0008769300000000, 0.0000000000000000, 0.0002605400000000 ] - [ -0.0002054500000000, 0.0000000000000000, -0.0000316900000000 ] - [ 0.0011526900000000, 0.0000000000000000, -0.0001893000000000 ] - [ 0.0000302300000000, 0.0000000000000000, -0.0002261800000000 ] - [ -0.0015313200000000, 0.0000000000000000, -0.0016922300000000 ] - [ -0.0000022200000000, 0.0000000000000000, 0.0003925300000000 ] - [ 0.0004351500000000, 0.0000000000000000, 0.0003891900000000 ] - [ 0.0016673500000000, 0.0000000000000000, 0.0005587400000000 ] - [ 0.0000414200000000, 0.0000000000000000, -0.0001571000000000 ] - [ 0.0008193000000000, 0.0000000000000000, 0.0003002400000000 ] - [ 0.0000045900000000, -0.0001483500000000, 0.0000876300000000 ] - [ -0.0010798700000000, 0.0000000000000000, -0.0006443100000000 ] - [ -0.0009766500000000, 0.0006927500000000, -0.0005966300000000 ] - [ -0.0004088700000000, 0.0000000000000000, -0.0000874900000000 ] - [ -0.0005213400000000, 0.0000000000000000, -0.0000089500000000 ] - [ -0.0005942300000000, 0.0000032100000000, -0.0000661400000000 ] - [ -0.0004226500000000, 0.0000000000000000, 0.0001272000000000 ] - [ 0.0004550000000000, 0.0004396100000000, -0.0004887900000000 ] - [ -0.0005942300000000, -0.0000032100000000, -0.0000661400000000 ] - [ 0.0004550000000000, -0.0004396100000000, -0.0004887900000000 ] - [ -0.0002748500000000, -0.0000817100000000, -0.0013214800000000 ] - [ -0.0009766500000000, -0.0006927500000000, -0.0005966300000000 ] - [ -0.0005403700000000, -0.0006467200000000, -0.0001521200000000 ] - [ -0.0007375100000000, -0.0000653700000000, -0.0003915800000000 ] - [ 0.0014077200000000, 0.0000000000000000, -0.0001909300000000 ] - [ -0.0000064700000000, -0.0001185100000000, 0.0003447700000000 ] - [ 0.0139033500000000, -0.0283044500000000, 0.0835996200000000 ] - [ 0.0002868200000000, -0.0004322100000000, 0.0004628100000000 ] - [ -0.0007375100000000, 0.0000653700000000, -0.0003915800000000 ] - [ 0.0025233100000000, 0.0000000000000000, 0.0017411700000000 ] - [ -0.0010539300000000, 0.0000000000000000, 0.0003097000000000 ] - [ 0.0139033500000000, 0.0283044500000000, 0.0835996200000000 ] - [ 0.0640825700000000, 0.0000000000000000, 0.1024846900000000 ] - [ -0.0005782500000000, 0.0000000000000000, -0.0004449800000000 ] - [ -0.0005403700000000, 0.0006467200000000, -0.0001521200000000 ] - [ 0.0000045900000000, 0.0001483500000000, 0.0000876300000000 ] - [ 0.0002868200000000, 0.0004322100000000, 0.0004628100000000 ] - [ -0.0002748500000000, 0.0000817100000000, -0.0013214800000000 ] - [ -0.0001524800000000, 0.0000000000000000, -0.0006316000000000 ] - [ -0.0000064700000000, 0.0001185100000000, 0.0003447700000000 ] - [ -0.0003368500000000, 0.0001253400000000, -0.0000007900000000 ] - [ -0.0005894300000000, 0.0000000000000000, -0.0000078600000000 ] - [ -0.0005538400000000, 0.0001839000000000, -0.0001635700000000 ] - [ 0.0008447200000000, 0.0000000000000000, -0.0000537300000000 ] - [ -0.0003960200000000, 0.0000000000000000, -0.0003356600000000 ] - [ -0.0001696500000000, -0.0001146600000000, -0.0004279500000000 ] - [ -0.0000652700000000, 0.0000000000000000, 0.0000644100000000 ] - [ -0.0003173200000000, 0.0003273800000000, -0.0001337700000000 ] - [ -0.0001696500000000, 0.0001146600000000, -0.0004279500000000 ] - [ -0.0003173200000000, -0.0003273800000000, -0.0001337700000000 ] - [ 0.0000241600000000, -0.0001939900000000, 0.0000454500000000 ] - [ -0.0005538400000000, -0.0001839000000000, -0.0001635700000000 ] - [ 0.0004317400000000, 0.0004761100000000, 0.0019671600000000 ] - [ -0.0001476300000000, 0.0000226700000000, -0.0001528000000000 ] - [ -0.0006589800000000, 0.0000000000000000, -0.0002574100000000 ] - [ -0.0001411700000000, -0.0000037000000000, -0.0000183100000000 ] - [ -0.0002846700000000, 0.0000856700000000, -0.0000905500000000 ] - [ -0.0010820200000000, 0.0001308600000000, -0.0004213800000000 ] - [ -0.0001476300000000, -0.0000226700000000, -0.0001528000000000 ] - [ -0.0010238700000000, 0.0000000000000000, -0.0001399500000000 ] - [ -0.0005276900000000, 0.0000000000000000, 0.0007037100000000 ] - [ -0.0002846700000000, -0.0000856700000000, -0.0000905500000000 ] - [ -0.0006059900000000, 0.0000000000000000, -0.0003626100000000 ] - [ 0.0000802100000000, 0.0000000000000000, 0.0001068500000000 ] - [ 0.0004317400000000, -0.0004761100000000, 0.0019671600000000 ] - [ -0.0003368500000000, -0.0001253400000000, -0.0000007900000000 ] - [ -0.0010820200000000, -0.0001308600000000, -0.0004213800000000 ] - [ 0.0000241600000000, 0.0001939900000000, 0.0000454500000000 ] - [ -0.0014925300000000, 0.0000000000000000, -0.0001334700000000 ] - [ -0.0001411700000000, 0.0000037000000000, -0.0000183100000000 ] - [ 0.0035091400000000, 0.0000000000000000, -0.0041913000000000 ] - [ 0.0017450700000000, 0.0000000000000000, 0.0026959800000000 ] - [ -0.0003458100000000, 0.0000000000000000, 0.0003550600000000 ] - [ -0.0003617900000000, 0.0000000000000000, -0.0000884600000000 ] - [ -0.0002627100000000, 0.0000000000000000, -0.0001850900000000 ] - [ -0.0001281600000000, 0.0000000000000000, 0.0002115900000000 ] - [ -0.0014869000000000, 0.0000000000000000, -0.0007409500000000 ] - [ -0.0002666200000000, 0.0000000000000000, -0.0007207300000000 ]- atom: 21 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0024522300000000, 0.0000000000000000, 0.0046111000000000 ] - [ -0.0006967100000000, 0.0000000000000000, 0.0000681500000000 ] - [ -0.0000057600000000, 0.0000000000000000, 0.0002364700000000 ] - [ -0.0000233700000000, 0.0000000000000000, -0.0012554100000000 ] - [ -0.0009434200000000, 0.0000000000000000, -0.0006265400000000 ] - [ -0.0006663400000000, 0.0000000000000000, -0.0001668000000000 ] - [ -0.0010164500000000, 0.0000000000000000, 0.0001030800000000 ] - [ -0.0010497700000000, 0.0000000000000000, -0.0044744500000000 ] - [ -0.0008123500000000, 0.0000000000000000, -0.0011323400000000 ] - [ -0.0006152500000000, 0.0000000000000000, -0.0000796000000000 ] - [ -0.0002731600000000, 0.0000000000000000, 0.0004523500000000 ] - [ 0.0026453800000000, 0.0000000000000000, -0.0021147900000000 ] - [ 0.0023077600000000, 0.0000000000000000, -0.0002525300000000 ] - [ -0.0009010200000000, 0.0000000000000000, 0.0001511800000000 ] - [ 0.0024187400000000, 0.0000000000000000, -0.0037166500000000 ] - [ -0.0015101800000000, 0.0000000000000000, 0.0008363300000000 ] - [ -0.0008789000000000, 0.0000000000000000, -0.0003911300000000 ] - [ -0.0000818900000000, 0.0000000000000000, -0.0004156400000000 ] - [ -0.0009718200000000, 0.0000000000000000, -0.0008471000000000 ] - [ -0.0050661000000000, 0.0000000000000000, 0.0042338800000000 ] - [ 0.0945884900000000, 0.0000000000000000, 0.2706127200000000 ] - [ -0.0001320400000000, 0.0000000000000000, -0.0000765700000000 ] - [ -0.0019519400000000, 0.0000000000000000, -0.0001031400000000 ] - [ -0.0023815500000000, 0.0000000000000000, -0.0017727200000000 ] - [ -0.0000446500000000, 0.0000000000000000, -0.0000494100000000 ] - [ -0.0005964200000000, 0.0000000000000000, -0.0001573100000000 ] - [ -0.0002966800000000, 0.0000000000000000, 0.0000712100000000 ] - [ 0.0028724800000000, 0.0000000000000000, 0.0008086700000000 ] - [ -0.0018053700000000, 0.0000000000000000, -0.0005691200000000 ] - [ 0.0006409800000000, 0.0000000000000000, 0.0002412400000000 ] - [ -0.0007398700000000, 0.0000000000000000, -0.0002557000000000 ] - [ -0.0016280600000000, 0.0000000000000000, -0.0004766900000000 ] - [ -0.0015488600000000, 0.0000000000000000, -0.0003541100000000 ] - [ -0.0010987400000000, 0.0000000000000000, -0.0006771100000000 ] - [ 0.0033803600000000, 0.0000000000000000, 0.0022309100000000 ] - [ -0.0001154000000000, 0.0000000000000000, -0.0003920300000000 ] - [ 0.0006227300000000, 0.0000000000000000, 0.0005115300000000 ] - [ 0.0002504200000000, 0.0000000000000000, 0.0000958100000000 ] - [ -0.0019854900000000, 0.0000000000000000, -0.0005070000000000 ] - [ -0.0004391600000000, 0.0000000000000000, 0.0002433800000000 ] - [ -0.0001424700000000, 0.0001463500000000, 0.0002628900000000 ] - [ -0.0000161300000000, 0.0000000000000000, 0.0002457600000000 ] - [ 0.0010953100000000, -0.0006846400000000, 0.0002439900000000 ] - [ 0.0007631100000000, 0.0000000000000000, 0.0001638700000000 ] - [ 0.0007201400000000, 0.0000000000000000, 0.0002229200000000 ] - [ 0.0001025500000000, -0.0000616800000000, 0.0000741300000000 ] - [ 0.0003185400000000, 0.0000000000000000, 0.0003981900000000 ] - [ -0.0004086700000000, 0.0004828000000000, 0.0004823400000000 ] - [ 0.0001025500000000, 0.0000616800000000, 0.0000741300000000 ] - [ -0.0004086700000000, -0.0004828000000000, 0.0004823400000000 ] - [ 0.0009695100000000, -0.0001379900000000, 0.0015423500000000 ] - [ 0.0010953100000000, 0.0006846400000000, 0.0002439900000000 ] - [ 0.0004898800000000, -0.0002846100000000, 0.0001477700000000 ] - [ 0.0000535900000000, 0.0002712800000000, 0.0001725700000000 ] - [ -0.0015886900000000, 0.0000000000000000, -0.0000259300000000 ] - [ 0.0013106900000000, 0.0000126600000000, 0.0001865000000000 ] - [ -0.0138981200000000, 0.0294740800000000, -0.0843410600000000 ] - [ -0.0015715000000000, 0.0005311000000000, -0.0009839200000000 ] - [ 0.0000535900000000, -0.0002712800000000, 0.0001725700000000 ] - [ -0.0028815400000000, 0.0000000000000000, -0.0018363000000000 ] - [ 0.0029201300000000, 0.0000000000000000, -0.0000156700000000 ] - [ -0.0138981200000000, -0.0294740800000000, -0.0843410600000000 ] - [ -0.0653170700000000, 0.0000000000000000, -0.1023136100000000 ] - [ 0.0016822600000000, 0.0000000000000000, 0.0008387900000000 ] - [ 0.0004898800000000, 0.0002846100000000, 0.0001477700000000 ] - [ -0.0001424700000000, -0.0001463500000000, 0.0002628900000000 ] - [ -0.0015715000000000, -0.0005311000000000, -0.0009839200000000 ] - [ 0.0009695100000000, 0.0001379900000000, 0.0015423500000000 ] - [ -0.0017153900000000, 0.0000000000000000, 0.0003320600000000 ] - [ 0.0013106900000000, -0.0000126600000000, 0.0001865000000000 ] - [ 0.0001827600000000, -0.0001214800000000, 0.0003497400000000 ] - [ -0.0005140600000000, 0.0000000000000000, -0.0003921300000000 ] - [ 0.0007072400000000, -0.0001891900000000, -0.0001858900000000 ] - [ -0.0005037500000000, 0.0000000000000000, 0.0001232500000000 ] - [ 0.0006303600000000, 0.0000000000000000, 0.0005772700000000 ] - [ -0.0003390700000000, 0.0000558100000000, 0.0004218700000000 ] - [ -0.0000659000000000, 0.0000000000000000, 0.0004543500000000 ] - [ 0.0003677300000000, 0.0006019300000000, 0.0001399600000000 ] - [ -0.0003390700000000, -0.0000558100000000, 0.0004218700000000 ] - [ 0.0003677300000000, -0.0006019300000000, 0.0001399600000000 ] - [ 0.0006586300000000, -0.0000132000000000, 0.0001714100000000 ] - [ 0.0007072400000000, 0.0001891900000000, -0.0001858900000000 ] - [ -0.0004845700000000, -0.0014149500000000, -0.0019927300000000 ] - [ -0.0005411400000000, 0.0001797400000000, -0.0000724400000000 ] - [ 0.0004614800000000, 0.0000000000000000, 0.0000442800000000 ] - [ 0.0014610600000000, -0.0001057900000000, 0.0005599600000000 ] - [ 0.0007802400000000, -0.0000283000000000, 0.0000839000000000 ] - [ -0.0002218500000000, -0.0000281900000000, -0.0001056000000000 ] - [ -0.0005411400000000, -0.0001797400000000, -0.0000724400000000 ] - [ 0.0006727200000000, 0.0000000000000000, 0.0000644300000000 ] - [ 0.0024394300000000, 0.0000000000000000, -0.0004205600000000 ] - [ 0.0007802400000000, 0.0000283000000000, 0.0000839000000000 ] - [ 0.0007180100000000, 0.0000000000000000, -0.0001614500000000 ] - [ 0.0010128400000000, 0.0000000000000000, 0.0002859900000000 ] - [ -0.0004845700000000, 0.0014149500000000, -0.0019927300000000 ] - [ 0.0001827600000000, 0.0001214800000000, 0.0003497400000000 ] - [ -0.0002218500000000, 0.0000281900000000, -0.0001056000000000 ] - [ 0.0006586300000000, 0.0000132000000000, 0.0001714100000000 ] - [ -0.0004033500000000, 0.0000000000000000, -0.0001582500000000 ] - [ 0.0014610600000000, 0.0001057900000000, 0.0005599600000000 ] - [ -0.0033167500000000, 0.0000000000000000, 0.0037559700000000 ] - [ -0.0013425500000000, 0.0000000000000000, -0.0023085300000000 ] - [ 0.0002282400000000, 0.0000000000000000, -0.0000502100000000 ] - [ -0.0000483300000000, 0.0000000000000000, -0.0002528900000000 ] - [ 0.0003828400000000, 0.0000000000000000, -0.0001156500000000 ] - [ 0.0005412100000000, 0.0000000000000000, 0.0001280200000000 ] - [ 0.0013303900000000, 0.0000000000000000, 0.0010739100000000 ] - [ -0.0001546700000000, 0.0000000000000000, 0.0003825500000000 ]- atom: 22 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0008497100000000, 0.0000000000000000, 0.0037647400000000 ] - [ 0.0029980100000000, 0.0000000000000000, 0.0006673000000000 ] - [ 0.0037857500000000, 0.0000000000000000, 0.0021182900000000 ] - [ 0.0236662900000000, 0.0000000000000000, -0.0083431900000000 ] - [ 0.0024326700000000, 0.0000000000000000, -0.0016914400000000 ] - [ 0.0035191200000000, 0.0000000000000000, -0.0000068000000000 ] - [ 0.0019667600000000, 0.0000000000000000, 0.0006497400000000 ] - [ -0.0071565600000000, 0.0000000000000000, -0.0011657400000000 ] - [ 0.0015211300000000, 0.0000000000000000, -0.0029007000000000 ] - [ 0.0046085700000000, 0.0000000000000000, 0.0002003200000000 ] - [ 0.0033828600000000, 0.0000000000000000, 0.0041220600000000 ] - [ -0.0229136300000000, 0.0000000000000000, 0.0039943400000000 ] - [ -0.0081458500000000, 0.0000000000000000, -0.0024479800000000 ] - [ 0.0064791400000000, 0.0000000000000000, 0.0005368000000000 ] - [ -0.0085970100000000, 0.0000000000000000, 0.0276985400000000 ] - [ 0.0036164800000000, 0.0000000000000000, 0.0015602800000000 ] - [ 0.0047724200000000, 0.0000000000000000, 0.0005989600000000 ] - [ 0.0317586900000000, 0.0000000000000000, -0.0211015800000000 ] - [ 0.0056650000000000, 0.0000000000000000, -0.0011272900000000 ] - [ -0.0030362700000000, 0.0000000000000000, 0.0034586200000000 ] - [ -0.0054265500000000, 0.0000000000000000, -0.0012314000000000 ] - [ -0.6774618500000000, 0.0000000000000000, -0.1432913900000000 ] - [ 0.0005783000000000, 0.0000000000000000, -0.0003408300000000 ] - [ -0.0032086500000000, 0.0000000000000000, -0.0028644900000000 ] - [ 0.0043423300000000, 0.0000000000000000, 0.0012965300000000 ] - [ 0.0038422700000000, 0.0000000000000000, 0.0012968000000000 ] - [ 0.0047011300000000, 0.0000000000000000, 0.0023823700000000 ] - [ 0.0062665500000000, 0.0000000000000000, 0.0023919100000000 ] - [ 0.0014253200000000, 0.0000000000000000, 0.0005011700000000 ] - [ 0.0078814200000000, 0.0000000000000000, 0.0004433900000000 ] - [ 0.0030577100000000, 0.0000000000000000, 0.0009646600000000 ] - [ 0.0034422600000000, 0.0000000000000000, 0.0011048300000000 ] - [ 0.0022413000000000, 0.0000000000000000, 0.0000738000000000 ] - [ 0.0036206300000000, 0.0000000000000000, 0.0013786100000000 ] - [ 0.0026412400000000, 0.0000000000000000, 0.0023456600000000 ] - [ -0.0077693200000000, 0.0000000000000000, -0.0031238200000000 ] - [ 0.0074546800000000, 0.0000000000000000, 0.0038824600000000 ] - [ 0.0036093700000000, 0.0000000000000000, 0.0011348100000000 ] - [ -0.0015238100000000, 0.0000000000000000, -0.0008327500000000 ] - [ 0.0065538200000000, 0.0000000000000000, 0.0005851500000000 ] - [ -0.0042368500000000, 0.0008059100000000, -0.0005639900000000 ] - [ -0.0052552800000000, 0.0000000000000000, 0.0005343200000000 ] - [ 0.0003417800000000, 0.0004573000000000, -0.0000159900000000 ] - [ -0.0037886800000000, 0.0000000000000000, -0.0002016100000000 ] - [ -0.0018540200000000, 0.0000000000000000, -0.0004093700000000 ] - [ -0.0027104600000000, 0.0003211500000000, -0.0006016200000000 ] - [ -0.0031804900000000, 0.0000000000000000, -0.0004777700000000 ] - [ 0.1487896100000000, 0.1076570200000000, 0.0200743200000000 ] - [ -0.0027104600000000, -0.0003211500000000, -0.0006016200000000 ] - [ 0.1487896100000000, -0.1076570200000000, 0.0200743200000000 ] - [ 0.0030530400000000, 0.0001510900000000, 0.0045868500000000 ] - [ 0.0003417800000000, -0.0004573000000000, -0.0000159900000000 ] - [ -0.0016755900000000, -0.0010627700000000, -0.0003199300000000 ] - [ -0.0023626800000000, -0.0007430200000000, -0.0004422600000000 ] - [ -0.0000872800000000, 0.0000000000000000, -0.0075278500000000 ] - [ -0.0005212500000000, 0.0004026400000000, -0.0006365200000000 ] - [ 0.0033867800000000, -0.0006026800000000, -0.0000082300000000 ] - [ -0.0031572800000000, 0.0005145600000000, -0.0021710600000000 ] - [ -0.0023626800000000, 0.0007430200000000, -0.0004422600000000 ] - [ 0.0043173000000000, 0.0000000000000000, -0.0079618500000000 ] - [ 0.0000310500000000, 0.0000000000000000, 0.0005162800000000 ] - [ 0.0033867800000000, 0.0006026800000000, -0.0000082300000000 ] - [ 0.0039015900000000, 0.0000000000000000, 0.0008316000000000 ] - [ 0.0017352400000000, 0.0000000000000000, 0.0035053400000000 ] - [ -0.0016755900000000, 0.0010627700000000, -0.0003199300000000 ] - [ -0.0042368500000000, -0.0008059100000000, -0.0005639900000000 ] - [ -0.0031572800000000, -0.0005145600000000, -0.0021710600000000 ] - [ 0.0030530400000000, -0.0001510900000000, 0.0045868500000000 ] - [ -0.0067022300000000, 0.0000000000000000, -0.0002458600000000 ] - [ -0.0005212500000000, -0.0004026400000000, -0.0006365200000000 ] - [ -0.0045158100000000, -0.0002608500000000, 0.0007251900000000 ] - [ -0.0075872600000000, 0.0000000000000000, -0.0032620100000000 ] - [ -0.0016121900000000, 0.0000760400000000, -0.0007601400000000 ] - [ 0.3488998300000000, 0.0000000000000000, 0.1010874800000000 ] - [ 0.0011190700000000, 0.0000000000000000, -0.0003128900000000 ] - [ 0.0089076200000000, 0.0014616200000000, 0.0038266100000000 ] - [ 0.0044513800000000, 0.0000000000000000, 0.0050173000000000 ] - [ -0.0022559900000000, -0.0002893800000000, -0.0004045000000000 ] - [ 0.0089076200000000, -0.0014616200000000, 0.0038266100000000 ] - [ -0.0022559900000000, 0.0002893800000000, -0.0004045000000000 ] - [ -0.0017139700000000, -0.0009102000000000, -0.0007681500000000 ] - [ -0.0016121900000000, -0.0000760400000000, -0.0007601400000000 ] - [ 0.0004741000000000, -0.0010778400000000, -0.0013352800000000 ] - [ -0.0053107600000000, -0.0030868000000000, -0.0031448900000000 ] - [ -0.0022524000000000, 0.0000000000000000, -0.0005360700000000 ] - [ 0.0006636400000000, -0.0003510400000000, 0.0006434700000000 ] - [ -0.0016008300000000, 0.0003064300000000, -0.0005168800000000 ] - [ -0.0021968000000000, 0.0004159700000000, -0.0003496100000000 ] - [ -0.0053107600000000, 0.0030868000000000, -0.0031448900000000 ] - [ -0.0031924600000000, 0.0000000000000000, -0.0003147000000000 ] - [ -0.0003993200000000, 0.0000000000000000, -0.0010392300000000 ] - [ -0.0016008300000000, -0.0003064300000000, -0.0005168800000000 ] - [ -0.0022203500000000, 0.0000000000000000, -0.0009454000000000 ] - [ -0.0028209800000000, 0.0000000000000000, -0.0008745500000000 ] - [ 0.0004741000000000, 0.0010778400000000, -0.0013352800000000 ] - [ -0.0045158100000000, 0.0002608500000000, 0.0007251900000000 ] - [ -0.0021968000000000, -0.0004159700000000, -0.0003496100000000 ] - [ -0.0017139700000000, 0.0009102000000000, -0.0007681500000000 ] - [ -0.0065181600000000, 0.0000000000000000, 0.0003020400000000 ] - [ 0.0006636400000000, 0.0003510400000000, 0.0006434700000000 ] - [ 0.0046067600000000, 0.0000000000000000, -0.0047723000000000 ] - [ 0.0017613300000000, 0.0000000000000000, -0.0012570400000000 ] - [ -0.0013929200000000, 0.0000000000000000, -0.0004352700000000 ] - [ -0.0016942900000000, 0.0000000000000000, -0.0007001500000000 ] - [ -0.0012406200000000, 0.0000000000000000, -0.0001033500000000 ] - [ -0.0008342800000000, 0.0000000000000000, -0.0000553300000000 ] - [ 0.0014544500000000, 0.0000000000000000, 0.0006720500000000 ] - [ -0.0004912000000000, 0.0000000000000000, 0.0046486300000000 ]- atom: 22 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0008064300000000, 0.0000000000000000, -0.0034133600000000 ] - [ -0.0029887300000000, 0.0000000000000000, -0.0006707300000000 ] - [ -0.0037063800000000, 0.0000000000000000, -0.0024491300000000 ] - [ -0.0242202500000000, 0.0000000000000000, 0.0084276000000000 ] - [ -0.0021377700000000, 0.0000000000000000, 0.0016935200000000 ] - [ -0.0035105600000000, 0.0000000000000000, 0.0000125600000000 ] - [ -0.0020164500000000, 0.0000000000000000, -0.0003311400000000 ] - [ 0.0071164500000000, 0.0000000000000000, 0.0011634300000000 ] - [ -0.0014696800000000, 0.0000000000000000, 0.0025622900000000 ] - [ -0.0048846200000000, 0.0000000000000000, -0.0001878100000000 ] - [ -0.0030898700000000, 0.0000000000000000, -0.0041111500000000 ] - [ 0.0227422000000000, 0.0000000000000000, -0.0039526900000000 ] - [ 0.0088292100000000, 0.0000000000000000, 0.0014965400000000 ] - [ -0.0071580200000000, 0.0000000000000000, 0.0004225800000000 ] - [ 0.0085403700000000, 0.0000000000000000, -0.0288498300000000 ] - [ -0.0035129000000000, 0.0000000000000000, -0.0003321700000000 ] - [ -0.0040674000000000, 0.0000000000000000, -0.0015563800000000 ] - [ -0.0321949500000000, 0.0000000000000000, 0.0219522900000000 ] - [ -0.0057421800000000, 0.0000000000000000, -0.0001027200000000 ] - [ 0.0031033000000000, 0.0000000000000000, -0.0022245400000000 ] - [ 0.0055531700000000, 0.0000000000000000, 0.0012392400000000 ] - [ 0.6525235600000000, 0.0000000000000000, 0.1337931100000000 ] - [ -0.0009394200000000, 0.0000000000000000, -0.0001967800000000 ] - [ 0.0021833100000000, 0.0000000000000000, 0.0019754300000000 ] - [ -0.0024785700000000, 0.0000000000000000, -0.0007771600000000 ] - [ -0.0039683900000000, 0.0000000000000000, -0.0012997900000000 ] - [ -0.0036731000000000, 0.0000000000000000, -0.0014997400000000 ] - [ -0.0043177100000000, 0.0000000000000000, -0.0017400700000000 ] - [ -0.0033134200000000, 0.0000000000000000, -0.0011477100000000 ] - [ -0.0074773500000000, 0.0000000000000000, 0.0000979500000000 ] - [ -0.0029128300000000, 0.0000000000000000, -0.0009564600000000 ] - [ -0.0052775600000000, 0.0000000000000000, -0.0016136600000000 ] - [ -0.0026173300000000, 0.0000000000000000, -0.0006124500000000 ] - [ -0.0046800500000000, 0.0000000000000000, -0.0022777900000000 ] - [ -0.0007938600000000, 0.0000000000000000, -0.0018250200000000 ] - [ 0.0076157100000000, 0.0000000000000000, 0.0030934800000000 ] - [ -0.0063885400000000, 0.0000000000000000, -0.0029828900000000 ] - [ -0.0016857500000000, 0.0000000000000000, -0.0004774800000000 ] - [ -0.0004000600000000, 0.0000000000000000, 0.0001729600000000 ] - [ -0.0061634700000000, 0.0000000000000000, -0.0000442200000000 ] - [ 0.0040879500000000, -0.0007947700000000, 0.0009148300000000 ] - [ 0.0041797900000000, 0.0000000000000000, -0.0009333500000000 ] - [ -0.0002042600000000, -0.0004583800000000, -0.0003326200000000 ] - [ 0.0041359800000000, 0.0000000000000000, 0.0002800300000000 ] - [ 0.0020496100000000, 0.0000000000000000, 0.0006194200000000 ] - [ 0.0022107400000000, -0.0003788600000000, 0.0006078600000000 ] - [ 0.0030739800000000, 0.0000000000000000, 0.0010030300000000 ] - [ -0.1504943900000000, -0.1124877100000000, -0.0211606000000000 ] - [ 0.0022107400000000, 0.0003788600000000, 0.0006078600000000 ] - [ -0.1504943900000000, 0.1124877100000000, -0.0211606000000000 ] - [ -0.0023844900000000, -0.0003527700000000, -0.0043641400000000 ] - [ -0.0002042600000000, 0.0004583800000000, -0.0003326200000000 ] - [ 0.0016305000000000, 0.0001298500000000, 0.0003150400000000 ] - [ 0.0016814900000000, 0.0009470000000000, 0.0002282400000000 ] - [ -0.0001346500000000, 0.0000000000000000, 0.0072928000000000 ] - [ 0.0018299900000000, -0.0005103400000000, 0.0011647100000000 ] - [ -0.0028834200000000, 0.0006605200000000, 0.0000017600000000 ] - [ 0.0018085800000000, -0.0004061300000000, 0.0016259500000000 ] - [ 0.0016814900000000, -0.0009470000000000, 0.0002282400000000 ] - [ -0.0046652500000000, 0.0000000000000000, 0.0078685500000000 ] - [ 0.0018541700000000, 0.0000000000000000, -0.0002229400000000 ] - [ -0.0028834200000000, -0.0006605200000000, 0.0000017600000000 ] - [ -0.0037922200000000, 0.0000000000000000, -0.0013537800000000 ] - [ -0.0006537700000000, 0.0000000000000000, -0.0031233600000000 ] - [ 0.0016305000000000, -0.0001298500000000, 0.0003150400000000 ] - [ 0.0040879500000000, 0.0007947700000000, 0.0009148300000000 ] - [ 0.0018085800000000, 0.0004061300000000, 0.0016259500000000 ] - [ -0.0023844900000000, 0.0003527700000000, -0.0043641400000000 ] - [ 0.0047672000000000, 0.0000000000000000, -0.0000229500000000 ] - [ 0.0018299900000000, 0.0005103400000000, 0.0011647100000000 ] - [ 0.0043546800000000, 0.0002651700000000, -0.0003761900000000 ] - [ 0.0064673800000000, 0.0000000000000000, 0.0028573500000000 ] - [ 0.0017521400000000, -0.0000790100000000, 0.0004122600000000 ] - [ -0.3218065900000000, 0.0000000000000000, -0.0899275000000000 ] - [ -0.0009040300000000, 0.0000000000000000, 0.0005286400000000 ] - [ -0.0093674300000000, -0.0015019900000000, -0.0037915600000000 ] - [ -0.0045357200000000, 0.0000000000000000, -0.0044649300000000 ] - [ 0.0022909000000000, 0.0012179400000000, 0.0004080100000000 ] - [ -0.0093674300000000, 0.0015019900000000, -0.0037915600000000 ] - [ 0.0022909000000000, -0.0012179400000000, 0.0004080100000000 ] - [ 0.0023898400000000, 0.0007078300000000, 0.0009827400000000 ] - [ 0.0017521400000000, 0.0000790100000000, 0.0004122600000000 ] - [ -0.0005035000000000, 0.0001459500000000, 0.0013346500000000 ] - [ 0.0046137000000000, 0.0032772800000000, 0.0029064500000000 ] - [ 0.0020407700000000, 0.0000000000000000, 0.0003216300000000 ] - [ 0.0006575300000000, 0.0002380900000000, -0.0001071800000000 ] - [ 0.0020902400000000, -0.0002479500000000, 0.0005075200000000 ] - [ 0.0008757800000000, -0.0003046500000000, -0.0001833700000000 ] - [ 0.0046137000000000, -0.0032772800000000, 0.0029064500000000 ] - [ 0.0028309000000000, 0.0000000000000000, 0.0002368400000000 ] - [ 0.0022982800000000, 0.0000000000000000, 0.0013297500000000 ] - [ 0.0020902400000000, 0.0002479500000000, 0.0005075200000000 ] - [ 0.0023139500000000, 0.0000000000000000, 0.0004187000000000 ] - [ 0.0039077000000000, 0.0000000000000000, 0.0012651000000000 ] - [ -0.0005035000000000, -0.0001459500000000, 0.0013346500000000 ] - [ 0.0043546800000000, -0.0002651700000000, -0.0003761900000000 ] - [ 0.0008757800000000, 0.0003046500000000, -0.0001833700000000 ] - [ 0.0023898400000000, -0.0007078300000000, 0.0009827400000000 ] - [ 0.0046075900000000, 0.0000000000000000, -0.0005950900000000 ] - [ 0.0006575300000000, -0.0002380900000000, -0.0001071800000000 ] - [ -0.0044646800000000, 0.0000000000000000, 0.0044171800000000 ] - [ -0.0013559000000000, 0.0000000000000000, 0.0015885100000000 ] - [ 0.0012807200000000, 0.0000000000000000, 0.0007358200000000 ] - [ 0.0012893200000000, 0.0000000000000000, 0.0003608000000000 ] - [ 0.0013458400000000, 0.0000000000000000, -0.0001994700000000 ] - [ 0.0012329400000000, 0.0000000000000000, 0.0003938300000000 ] - [ -0.0015542600000000, 0.0000000000000000, -0.0003658200000000 ] - [ 0.0000913100000000, 0.0000000000000000, -0.0049676300000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000223400000000, -0.0000089800000000, 0.0001678300000000 ] - [ -0.0000043300000000, -0.0000000800000000, -0.0000019000000000 ] - [ 0.0000302100000000, 0.0000169400000000, -0.0001649400000000 ] - [ -0.0001877700000000, -0.0116993800000000, 0.0000243500000000 ] - [ 0.0001378700000000, -0.0000067900000000, -0.0000013600000000 ] - [ -0.0000048900000000, -0.0000001600000000, 0.0000003500000000 ] - [ -0.0000324400000000, -0.0000010000000000, 0.0001623300000000 ] - [ 0.0000039200000000, -0.0005417300000000, 0.0000045400000000 ] - [ 0.0000252500000000, 0.0000390500000000, -0.0001578600000000 ] - [ -0.0001530200000000, 0.0000003500000000, 0.0000046200000000 ] - [ 0.0001453100000000, 0.0000979500000000, -0.0000118400000000 ] - [ 0.0001022400000000, 0.0211263900000000, 0.0001500900000000 ] - [ 0.0003629000000000, -0.0011877600000000, -0.0004587400000000 ] - [ -0.0003583600000000, -0.0000622800000000, 0.0004811700000000 ] - [ -0.0000863900000000, 0.0423428600000000, -0.0007215200000000 ] - [ 0.0000312500000000, -0.0000004600000000, 0.0006134000000000 ] - [ 0.0003441900000000, 0.0000056700000000, -0.0004827000000000 ] - [ -0.0004086600000000, -0.0008459600000000, 0.0005156200000000 ] - [ -0.0000503700000000, 0.0000007000000000, -0.0006087900000000 ] - [ 0.0000459400000000, -0.0001147700000000, 0.0006234600000000 ] - [ 0.0000772300000000, -0.0000304300000000, 0.0000080300000000 ] - [ 0.0122565400000000, -0.6611923600000000, 0.0034294100000000 ] - [ -0.0001844000000000, -0.0001965600000000, -0.0002701100000000 ] - [ -0.0005379100000000, 0.0097761200000000, -0.0004471100000000 ] - [ 0.0009136200000000, 0.0000062400000000, 0.0002538300000000 ] - [ -0.0000767600000000, -0.0000166700000000, -0.0000055000000000 ] - [ 0.0005106300000000, -0.0000274800000000, 0.0004405400000000 ] - [ 0.0009565200000000, -0.0001098300000000, 0.0003206900000000 ] - [ -0.0009535400000000, 0.0000031400000000, -0.0003260100000000 ] - [ 0.0001786300000000, -0.0017577900000000, 0.0002673200000000 ] - [ 0.0000660100000000, -0.0000001500000000, 0.0000022100000000 ] - [ -0.0009301700000000, 0.0000010400000000, -0.0002589500000000 ] - [ -0.0001903400000000, 0.0000147200000000, -0.0002703300000000 ] - [ -0.0005423300000000, -0.0000014100000000, -0.0004546800000000 ] - [ 0.0009034600000000, 0.0009966800000000, 0.0002479800000000 ] - [ -0.0000397700000000, 0.0128908300000000, -0.0000120900000000 ] - [ 0.0005224600000000, -0.0017760800000000, 0.0004448500000000 ] - [ 0.0009442400000000, 0.0000062200000000, 0.0003224600000000 ] - [ -0.0009543900000000, -0.0000008600000000, -0.0003254700000000 ] - [ 0.0001721900000000, -0.0000311600000000, 0.0002696500000000 ] - [ 0.0005557400000000, 0.0000625400000000, 0.0002844900000000 ] - [ -0.0005337100000000, -0.0002639000000000, -0.0002003300000000 ] - [ -0.0000076800000000, 0.0001018700000000, -0.0000939800000000 ] - [ 0.0001816300000000, -0.0000027200000000, 0.0000396100000000 ] - [ 0.0001024700000000, -0.0000012100000000, 0.0001069000000000 ] - [ -0.0002398600000000, -0.0000255800000000, 0.0000070000000000 ] - [ -0.0000455900000000, -0.0000037900000000, 0.0002650100000000 ] - [ 0.0989625700000000, 0.2558692900000000, 0.0228646800000000 ] - [ -0.0002463800000000, 0.0000333900000000, 0.0000011900000000 ] - [ -0.1110649500000000, 0.2745227300000000, -0.0263164500000000 ] - [ -0.0029676300000000, -0.0036441700000000, 0.0039880700000000 ] - [ 0.0001567500000000, 0.0001080700000000, -0.0002574000000000 ] - [ -0.0000223600000000, -0.0004668500000000, -0.0000025600000000 ] - [ -0.0003409700000000, 0.0000797500000000, -0.0001701300000000 ] - [ -0.0001034000000000, 0.0007858300000000, -0.0000895100000000 ] - [ 0.0006596000000000, -0.0000602200000000, 0.0002669200000000 ] - [ 0.0002512300000000, 0.0000555200000000, -0.0000122300000000 ] - [ -0.0015222100000000, -0.0000456400000000, -0.0002193500000000 ] - [ -0.0003318200000000, -0.0001286000000000, -0.0000440600000000 ] - [ -0.0001780000000000, 0.0000786900000000, -0.0000170700000000 ] - [ 0.0009482700000000, 0.0000327700000000, 0.0001441300000000 ] - [ 0.0002323700000000, -0.0000066200000000, 0.0000046500000000 ] - [ 0.0000461600000000, -0.0000305400000000, -0.0002671700000000 ] - [ 0.0005550600000000, -0.0008815700000000, 0.0001955200000000 ] - [ -0.0000202100000000, 0.0004671700000000, -0.0000028000000000 ] - [ -0.0006932300000000, 0.0000481800000000, 0.0000720800000000 ] - [ 0.0002019800000000, -0.0001495200000000, -0.0003134900000000 ] - [ 0.0036600500000000, -0.0034396700000000, -0.0038007300000000 ] - [ -0.0009531300000000, -0.0035379700000000, -0.0001439200000000 ] - [ 0.0006584400000000, 0.0000536600000000, 0.0002663400000000 ] - [ -0.0001371400000000, -0.0000187300000000, 0.0001322400000000 ] - [ -0.0005391600000000, 0.0005191900000000, -0.0001917200000000 ] - [ 0.0000711700000000, -0.0000050500000000, -0.0001767600000000 ] - [ -0.0007799900000000, 0.0821997800000000, -0.0002868300000000 ] - [ 0.0000995500000000, -0.0000073700000000, 0.0001066100000000 ] - [ 0.0044500400000000, -0.0054115900000000, -0.0035479000000000 ] - [ -0.0000639700000000, -0.0018467100000000, 0.0002540800000000 ] - [ 0.0000282200000000, 0.0004690200000000, 0.0000037300000000 ] - [ -0.0049837100000000, -0.0053500500000000, 0.0035646200000000 ] - [ 0.0000286600000000, -0.0004694300000000, 0.0000035600000000 ] - [ 0.0003453400000000, -0.0001000300000000, 0.0001127600000000 ] - [ 0.0000773100000000, -0.0000033500000000, -0.0001682000000000 ] - [ 0.0001740700000000, -0.0009985800000000, 0.0005197600000000 ] - [ 0.0009703900000000, 0.0016574900000000, 0.0002286800000000 ] - [ -0.0000969700000000, -0.0000006500000000, -0.0001068800000000 ] - [ 0.0006580800000000, -0.0000553300000000, 0.0002640300000000 ] - [ 0.0002489200000000, 0.0000282100000000, -0.0000030400000000 ] - [ -0.0006539400000000, 0.0000533800000000, -0.0002669700000000 ] - [ -0.0016514800000000, 0.0014369500000000, -0.0004321700000000 ] - [ -0.0001696300000000, 0.0000000200000000, -0.0000365600000000 ] - [ 0.0009461600000000, 0.0000089400000000, 0.0001496400000000 ] - [ 0.0002485200000000, -0.0000300500000000, -0.0000031400000000 ] - [ 0.0000539900000000, 0.0000000000000000, -0.0002619000000000 ] - [ 0.0005552200000000, 0.0000066700000000, 0.0002012300000000 ] - [ -0.0002261600000000, -0.0000738900000000, -0.0005282600000000 ] - [ 0.0000095300000000, -0.0000364500000000, 0.0002134600000000 ] - [ -0.0006557100000000, -0.0000574600000000, -0.0002676200000000 ] - [ 0.0003448300000000, 0.0001003800000000, 0.0001108500000000 ] - [ -0.0009286500000000, 0.0000104300000000, -0.0001473400000000 ] - [ 0.0006550000000000, 0.0000548800000000, 0.0002649200000000 ] - [ 0.0000615100000000, 0.0004822300000000, -0.0001653200000000 ] - [ 0.0002051000000000, -0.0000075900000000, 0.0001677500000000 ] - [ -0.0000567900000000, 0.0000011800000000, 0.0001517300000000 ] - [ -0.0002031000000000, 0.0000050500000000, -0.0001688100000000 ] - [ 0.0000597400000000, -0.0000002700000000, -0.0001534900000000 ] - [ 0.0002056800000000, -0.0000003300000000, 0.0001693200000000 ] - [ -0.0000600900000000, -0.0001060300000000, 0.0001499500000000 ] - [ -0.0002041300000000, 0.0002195100000000, -0.0001861700000000 ]- atom: 22 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0002524400000000, 0.0000000000000000, 0.0012409200000000 ] - [ 0.0006877700000000, 0.0000000000000000, 0.0001692200000000 ] - [ 0.0010061200000000, 0.0000000000000000, 0.0003868600000000 ] - [ -0.0010546400000000, 0.0000000000000000, -0.0031743400000000 ] - [ 0.0004801500000000, 0.0000000000000000, -0.0003797100000000 ] - [ 0.0007936000000000, 0.0000000000000000, -0.0000157400000000 ] - [ 0.0003933100000000, 0.0000000000000000, 0.0003138200000000 ] - [ -0.0018009300000000, 0.0000000000000000, 0.0015095300000000 ] - [ -0.0001221300000000, 0.0000000000000000, -0.0006916400000000 ] - [ 0.0009586800000000, 0.0000000000000000, 0.0000676100000000 ] - [ 0.0009110700000000, 0.0000000000000000, 0.0008439900000000 ] - [ -0.0014516200000000, 0.0000000000000000, 0.0033222800000000 ] - [ -0.0020012100000000, 0.0000000000000000, 0.0004937500000000 ] - [ 0.0012588800000000, 0.0000000000000000, 0.0004121900000000 ] - [ 0.0025601200000000, 0.0000000000000000, 0.0086797800000000 ] - [ 0.0008085500000000, 0.0000000000000000, 0.0009207700000000 ] - [ 0.0013595900000000, 0.0000000000000000, -0.0002046700000000 ] - [ 0.0022999300000000, 0.0000000000000000, -0.0062155000000000 ] - [ 0.0012735400000000, 0.0000000000000000, -0.0007798900000000 ] - [ -0.0005988600000000, 0.0000000000000000, 0.0019339700000000 ] - [ -0.0009029700000000, 0.0000000000000000, -0.0001890900000000 ] - [ -0.0844089100000000, 0.0000000000000000, -0.2756044300000000 ] - [ -0.0001780600000000, 0.0000000000000000, -0.0002934100000000 ] - [ -0.0020580900000000, 0.0000000000000000, -0.0023801600000000 ] - [ 0.0016726200000000, 0.0000000000000000, 0.0004863900000000 ] - [ 0.0008389800000000, 0.0000000000000000, 0.0002986700000000 ] - [ 0.0013946000000000, 0.0000000000000000, 0.0008570300000000 ] - [ 0.0049530700000000, 0.0000000000000000, 0.0015964800000000 ] - [ -0.0003850300000000, 0.0000000000000000, -0.0001229100000000 ] - [ 0.0021244900000000, 0.0000000000000000, 0.0000253200000000 ] - [ 0.0007507000000000, 0.0000000000000000, 0.0002241500000000 ] - [ 0.0000758600000000, 0.0000000000000000, 0.0000521000000000 ] - [ 0.0004100300000000, 0.0000000000000000, -0.0001926800000000 ] - [ 0.0004391800000000, 0.0000000000000000, -0.0000204700000000 ] - [ 0.0028824900000000, 0.0000000000000000, 0.0009033800000000 ] - [ -0.0051567400000000, 0.0000000000000000, -0.0021613000000000 ] - [ 0.0021519300000000, 0.0000000000000000, 0.0009615800000000 ] - [ 0.0015199100000000, 0.0000000000000000, 0.0004940200000000 ] - [ -0.0011045100000000, 0.0000000000000000, -0.0004475500000000 ] - [ 0.0018061900000000, 0.0000000000000000, 0.0003489500000000 ] - [ -0.0011032600000000, 0.0002617800000000, 0.0001059200000000 ] - [ -0.0015754400000000, 0.0000000000000000, 0.0000425300000000 ] - [ 0.0002448400000000, 0.0001064100000000, -0.0002247100000000 ] - [ -0.0007339500000000, 0.0000000000000000, -0.0000068900000000 ] - [ -0.0003773000000000, 0.0000000000000000, -0.0000298000000000 ] - [ -0.0008179500000000, 0.0000562000000000, -0.0001356700000000 ] - [ -0.0007897300000000, 0.0000000000000000, 0.0001086800000000 ] - [ 0.0102290700000000, 0.0252891700000000, 0.0829393800000000 ] - [ -0.0008179500000000, -0.0000562000000000, -0.0001356700000000 ] - [ 0.0102290700000000, -0.0252891700000000, 0.0829393800000000 ] - [ 0.0014260600000000, 0.0004087100000000, 0.0016341000000000 ] - [ 0.0002448400000000, -0.0001064100000000, -0.0002247100000000 ] - [ -0.0003764200000000, -0.0006044100000000, -0.0000828300000000 ] - [ -0.0007711700000000, -0.0000709400000000, -0.0001477600000000 ] - [ -0.0019737400000000, 0.0000000000000000, -0.0021095500000000 ] - [ 0.0003610500000000, 0.0000577100000000, 0.0000126500000000 ] - [ 0.0008450900000000, -0.0000529500000000, -0.0002347600000000 ] - [ -0.0017078100000000, 0.0011316900000000, -0.0007709800000000 ] - [ -0.0007711700000000, 0.0000709400000000, -0.0001477600000000 ] - [ -0.0004446700000000, 0.0000000000000000, -0.0021367500000000 ] - [ 0.0008780700000000, 0.0000000000000000, 0.0002145300000000 ] - [ 0.0008450900000000, 0.0000529500000000, -0.0002347600000000 ] - [ 0.0008068400000000, 0.0000000000000000, -0.0002041500000000 ] - [ 0.0017485900000000, 0.0000000000000000, 0.0016336000000000 ] - [ -0.0003764200000000, 0.0006044100000000, -0.0000828300000000 ] - [ -0.0011032600000000, -0.0002617800000000, 0.0001059200000000 ] - [ -0.0017078100000000, -0.0011316900000000, -0.0007709800000000 ] - [ 0.0014260600000000, -0.0004087100000000, 0.0016341000000000 ] - [ -0.0026561300000000, 0.0000000000000000, -0.0007357100000000 ] - [ 0.0003610500000000, -0.0000577100000000, 0.0000126500000000 ] - [ -0.0013859800000000, -0.0002827700000000, 0.0002970500000000 ] - [ -0.0021002500000000, 0.0000000000000000, -0.0008284300000000 ] - [ -0.0003277100000000, 0.0000274500000000, -0.0003202900000000 ] - [ 0.0608783800000000, 0.0000000000000000, 0.1026580200000000 ] - [ 0.0003979100000000, 0.0000000000000000, -0.0001325200000000 ] - [ 0.0022561100000000, -0.0001196600000000, 0.0016892500000000 ] - [ 0.0033534400000000, 0.0000000000000000, 0.0023643200000000 ] - [ -0.0004971200000000, 0.0002953700000000, -0.0000799400000000 ] - [ 0.0022561100000000, 0.0001196600000000, 0.0016892500000000 ] - [ -0.0004971200000000, -0.0002953700000000, -0.0000799400000000 ] - [ -0.0001308700000000, -0.0002894000000000, -0.0000963400000000 ] - [ -0.0003277100000000, -0.0000274500000000, -0.0003202900000000 ] - [ -0.0005035300000000, -0.0010423400000000, -0.0004862200000000 ] - [ -0.0013392300000000, -0.0004463600000000, -0.0008797300000000 ] - [ -0.0005548900000000, 0.0000000000000000, -0.0001871000000000 ] - [ 0.0006590300000000, -0.0001181200000000, 0.0002953100000000 ] - [ -0.0001702600000000, 0.0000917100000000, -0.0001271300000000 ] - [ -0.0009494100000000, 0.0001464200000000, -0.0002711300000000 ] - [ -0.0013392300000000, 0.0004463600000000, -0.0008797300000000 ] - [ -0.0008403500000000, 0.0000000000000000, -0.0000928800000000 ] - [ 0.0005786600000000, 0.0000000000000000, -0.0001513600000000 ] - [ -0.0001702600000000, -0.0000917100000000, -0.0001271300000000 ] - [ -0.0004593500000000, 0.0000000000000000, -0.0004270600000000 ] - [ -0.0002362300000000, 0.0000000000000000, -0.0000471200000000 ] - [ -0.0005035300000000, 0.0010423400000000, -0.0004862200000000 ] - [ -0.0013859800000000, 0.0002827700000000, 0.0002970500000000 ] - [ -0.0009494100000000, -0.0001464200000000, -0.0002711300000000 ] - [ -0.0001308700000000, 0.0002894000000000, -0.0000963400000000 ] - [ -0.0022905700000000, 0.0000000000000000, -0.0000218500000000 ] - [ 0.0006590300000000, 0.0001181200000000, 0.0002953100000000 ] - [ 0.0002067500000000, 0.0000000000000000, -0.0003532400000000 ] - [ 0.0005581400000000, 0.0000000000000000, -0.0005050800000000 ] - [ -0.0003782100000000, 0.0000000000000000, -0.0000142900000000 ] - [ -0.0005757200000000, 0.0000000000000000, -0.0002809700000000 ] - [ -0.0002291600000000, 0.0000000000000000, -0.0001395300000000 ] - [ -0.0000203600000000, 0.0000000000000000, 0.0000988600000000 ] - [ 0.0004817700000000, 0.0000000000000000, -0.0001626700000000 ] - [ 0.0001312600000000, 0.0000000000000000, 0.0015447800000000 ]- atom: 22 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0002165900000000, 0.0000000000000000, -0.0009294200000000 ] - [ -0.0006831900000000, 0.0000000000000000, -0.0001699400000000 ] - [ -0.0009826800000000, 0.0000000000000000, -0.0006937000000000 ] - [ 0.0008079200000000, 0.0000000000000000, 0.0031370400000000 ] - [ -0.0002030500000000, 0.0000000000000000, 0.0003548300000000 ] - [ -0.0007889800000000, 0.0000000000000000, 0.0000173000000000 ] - [ -0.0004208200000000, 0.0000000000000000, 0.0000029900000000 ] - [ 0.0018142800000000, 0.0000000000000000, -0.0015286900000000 ] - [ 0.0001555800000000, 0.0000000000000000, 0.0003781400000000 ] - [ -0.0012397900000000, 0.0000000000000000, -0.0000482000000000 ] - [ -0.0006223200000000, 0.0000000000000000, -0.0008710900000000 ] - [ 0.0014790400000000, 0.0000000000000000, -0.0033683400000000 ] - [ 0.0026809500000000, 0.0000000000000000, -0.0014660800000000 ] - [ -0.0019415300000000, 0.0000000000000000, 0.0005691500000000 ] - [ -0.0027106200000000, 0.0000000000000000, -0.0097198500000000 ] - [ -0.0007220700000000, 0.0000000000000000, 0.0002882900000000 ] - [ -0.0006517700000000, 0.0000000000000000, -0.0007773300000000 ] - [ -0.0030201600000000, 0.0000000000000000, 0.0072790900000000 ] - [ -0.0013603100000000, 0.0000000000000000, -0.0004250400000000 ] - [ 0.0007009300000000, 0.0000000000000000, -0.0007158100000000 ] - [ 0.0010455900000000, 0.0000000000000000, 0.0001980100000000 ] - [ 0.0805347600000000, 0.0000000000000000, 0.2747373100000000 ] - [ -0.0002054800000000, 0.0000000000000000, -0.0002503800000000 ] - [ 0.0009717800000000, 0.0000000000000000, 0.0014468200000000 ] - [ 0.0001706500000000, 0.0000000000000000, 0.0000290500000000 ] - [ -0.0009864700000000, 0.0000000000000000, -0.0003075300000000 ] - [ -0.0003532700000000, 0.0000000000000000, 0.0000347700000000 ] - [ -0.0031165000000000, 0.0000000000000000, -0.0009526400000000 ] - [ -0.0015445500000000, 0.0000000000000000, -0.0005351700000000 ] - [ -0.0017181900000000, 0.0000000000000000, 0.0005111600000000 ] - [ -0.0006006900000000, 0.0000000000000000, -0.0002145200000000 ] - [ -0.0019072300000000, 0.0000000000000000, -0.0005619900000000 ] - [ -0.0007903700000000, 0.0000000000000000, -0.0003514200000000 ] - [ -0.0014949500000000, 0.0000000000000000, -0.0008772300000000 ] - [ -0.0009956300000000, 0.0000000000000000, -0.0003771700000000 ] - [ 0.0050673700000000, 0.0000000000000000, 0.0022080000000000 ] - [ -0.0011290300000000, 0.0000000000000000, -0.0000788500000000 ] - [ 0.0004132400000000, 0.0000000000000000, 0.0001659200000000 ] - [ -0.0008228400000000, 0.0000000000000000, -0.0002092900000000 ] - [ -0.0014384200000000, 0.0000000000000000, 0.0001946600000000 ] - [ 0.0009386400000000, -0.0002548300000000, 0.0002406400000000 ] - [ 0.0004574200000000, 0.0000000000000000, -0.0004342000000000 ] - [ -0.0000900500000000, -0.0001081900000000, -0.0001209300000000 ] - [ 0.0010837900000000, 0.0000000000000000, 0.0000819400000000 ] - [ 0.0005731700000000, 0.0000000000000000, 0.0002437100000000 ] - [ 0.0003195100000000, -0.0001078600000000, 0.0001385800000000 ] - [ 0.0006836400000000, 0.0000000000000000, 0.0004146500000000 ] - [ -0.0096470000000000, -0.0232657100000000, -0.0823499200000000 ] - [ 0.0003195100000000, 0.0001078600000000, 0.0001385800000000 ] - [ -0.0096470000000000, 0.0232657100000000, -0.0823499200000000 ] - [ -0.0007230000000000, -0.0005987000000000, -0.0013930500000000 ] - [ -0.0000900500000000, 0.0001081900000000, -0.0001209300000000 ] - [ 0.0003251000000000, -0.0003263200000000, 0.0000845000000000 ] - [ 0.0000829000000000, 0.0002735100000000, -0.0000727700000000 ] - [ 0.0018450500000000, 0.0000000000000000, 0.0018999800000000 ] - [ 0.0009390300000000, -0.0001583300000000, 0.0005141500000000 ] - [ -0.0003462800000000, 0.0001055300000000, 0.0002340600000000 ] - [ 0.0004407100000000, -0.0010506200000000, 0.0002458800000000 ] - [ 0.0000829000000000, -0.0002735100000000, -0.0000727700000000 ] - [ 0.0000660400000000, 0.0000000000000000, 0.0020344200000000 ] - [ 0.0010162000000000, 0.0000000000000000, 0.0000804000000000 ] - [ -0.0003462800000000, -0.0001055300000000, 0.0002340600000000 ] - [ -0.0006956700000000, 0.0000000000000000, -0.0003168900000000 ] - [ -0.0006266100000000, 0.0000000000000000, -0.0012092400000000 ] - [ 0.0003251000000000, 0.0003263200000000, 0.0000845000000000 ] - [ 0.0009386400000000, 0.0002548300000000, 0.0002406400000000 ] - [ 0.0004407100000000, 0.0010506200000000, 0.0002458800000000 ] - [ -0.0007230000000000, 0.0005987000000000, -0.0013930500000000 ] - [ 0.0007171800000000, 0.0000000000000000, 0.0004123500000000 ] - [ 0.0009390300000000, 0.0001583300000000, 0.0005141500000000 ] - [ 0.0012410200000000, 0.0002889800000000, 0.0000523000000000 ] - [ 0.0010101400000000, 0.0000000000000000, 0.0004381900000000 ] - [ 0.0004742800000000, -0.0000279300000000, -0.0000300000000000 ] - [ -0.0595314500000000, 0.0000000000000000, -0.1034950200000000 ] - [ -0.0002116900000000, 0.0000000000000000, 0.0003453000000000 ] - [ -0.0027689300000000, 0.0000876600000000, -0.0017253300000000 ] - [ -0.0035078500000000, 0.0000000000000000, -0.0018647800000000 ] - [ 0.0005483300000000, 0.0006346900000000, 0.0000833400000000 ] - [ -0.0027689300000000, -0.0000876600000000, -0.0017253300000000 ] - [ 0.0005483300000000, -0.0006346900000000, 0.0000833400000000 ] - [ 0.0008179300000000, 0.0000880800000000, 0.0003196700000000 ] - [ 0.0004742800000000, 0.0000279300000000, -0.0000300000000000 ] - [ 0.0004395400000000, 0.0000992600000000, 0.0004868300000000 ] - [ 0.0006687800000000, 0.0006582100000000, 0.0006684700000000 ] - [ 0.0003590700000000, 0.0000000000000000, -0.0000274900000000 ] - [ 0.0006353200000000, 0.0000163500000000, 0.0002308300000000 ] - [ 0.0006688300000000, -0.0000374900000000, 0.0001226500000000 ] - [ -0.0003534200000000, -0.0000400400000000, -0.0002587100000000 ] - [ 0.0006687800000000, -0.0006582100000000, 0.0006684700000000 ] - [ 0.0004901200000000, 0.0000000000000000, 0.0000219700000000 ] - [ 0.0013005600000000, 0.0000000000000000, 0.0004483300000000 ] - [ 0.0006688300000000, 0.0000374900000000, 0.0001226500000000 ] - [ 0.0005660800000000, 0.0000000000000000, -0.0000985400000000 ] - [ 0.0013368000000000, 0.0000000000000000, 0.0004471000000000 ] - [ 0.0004395400000000, -0.0000992600000000, 0.0004868300000000 ] - [ 0.0012410200000000, -0.0002889800000000, 0.0000523000000000 ] - [ -0.0003534200000000, 0.0000400400000000, -0.0002587100000000 ] - [ 0.0008179300000000, -0.0000880800000000, 0.0003196700000000 ] - [ 0.0004081300000000, 0.0000000000000000, -0.0002683600000000 ] - [ 0.0006353200000000, -0.0000163500000000, 0.0002308300000000 ] - [ -0.0000771300000000, 0.0000000000000000, 0.0000474100000000 ] - [ -0.0001382100000000, 0.0000000000000000, 0.0008486900000000 ] - [ 0.0002585400000000, 0.0000000000000000, 0.0003118000000000 ] - [ 0.0001600500000000, 0.0000000000000000, -0.0000639400000000 ] - [ 0.0003528400000000, 0.0000000000000000, -0.0001644800000000 ] - [ 0.0004374000000000, 0.0000000000000000, 0.0002382100000000 ] - [ -0.0006094200000000, 0.0000000000000000, 0.0004668300000000 ] - [ -0.0005544800000000, 0.0000000000000000, -0.0019035500000000 ]- atom: 23 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0088184200000000, 0.0000000000000000, 0.0177205100000000 ] - [ 0.0029924700000000, 0.0000000000000000, -0.0030276000000000 ] - [ -0.0058135500000000, 0.0000000000000000, -0.0054691800000000 ] - [ -0.0065075100000000, 0.0000000000000000, -0.0048910800000000 ] - [ -0.0256605500000000, 0.0000000000000000, 0.0087817400000000 ] - [ 0.0029553500000000, 0.0000000000000000, 0.0041823200000000 ] - [ 0.0042905400000000, 0.0000000000000000, -0.0000913100000000 ] - [ 0.0034248400000000, 0.0000000000000000, 0.0038282500000000 ] - [ 0.0033872600000000, 0.0000000000000000, 0.0008833400000000 ] - [ 0.0032644600000000, 0.0000000000000000, 0.0007801500000000 ] - [ 0.0045161500000000, 0.0000000000000000, -0.0000980400000000 ] - [ 0.0034413800000000, 0.0000000000000000, -0.0023230800000000 ] - [ 0.0439515000000000, 0.0000000000000000, -0.0065165500000000 ] - [ -0.0037934600000000, 0.0000000000000000, 0.0018376900000000 ] - [ -0.0020340300000000, 0.0000000000000000, 0.0022050600000000 ] - [ 0.0363686400000000, 0.0000000000000000, -0.0209688200000000 ] - [ 0.0084938400000000, 0.0000000000000000, -0.0000236100000000 ] - [ 0.0036619200000000, 0.0000000000000000, 0.0008457300000000 ] - [ 0.0035257100000000, 0.0000000000000000, -0.0006016600000000 ] - [ 0.0080706900000000, 0.0000000000000000, 0.0013943400000000 ] - [ 0.0067387800000000, 0.0000000000000000, 0.0023347200000000 ] - [ -0.0001576500000000, 0.0000000000000000, -0.0001819200000000 ] - [ -0.7185354900000001, 0.0000000000000000, -0.0143272400000000 ] - [ -0.0075677800000000, 0.0000000000000000, -0.0064231700000000 ] - [ 0.0085875200000000, 0.0000000000000000, 0.0028178900000000 ] - [ -0.0003975500000000, 0.0000000000000000, -0.0004899400000000 ] - [ 0.0029027900000000, 0.0000000000000000, 0.0024991900000000 ] - [ -0.0006187800000000, 0.0000000000000000, 0.0003924900000000 ] - [ -0.0049779100000000, 0.0000000000000000, -0.0011489100000000 ] - [ -0.0075109300000000, 0.0000000000000000, -0.0002262500000000 ] - [ 0.0059589000000000, 0.0000000000000000, 0.0018472200000000 ] - [ 0.0015132600000000, 0.0000000000000000, 0.0005501200000000 ] - [ 0.0058183800000000, 0.0000000000000000, -0.0000034900000000 ] - [ 0.0038890600000000, 0.0000000000000000, 0.0015133300000000 ] - [ 0.0072751800000000, 0.0000000000000000, 0.0024120200000000 ] - [ 0.0023867900000000, 0.0000000000000000, 0.0008322200000000 ] - [ 0.0039891400000000, 0.0000000000000000, 0.0018711800000000 ] - [ 0.0037758000000000, 0.0000000000000000, 0.0011535200000000 ] - [ 0.0031299000000000, 0.0000000000000000, 0.0010331300000000 ] - [ 0.0043748300000000, 0.0000000000000000, 0.0004911600000000 ] - [ 0.0037893800000000, -0.0009224800000000, 0.0008340600000000 ] - [ 0.0045736300000000, 0.0000000000000000, -0.0080626000000000 ] - [ 0.1621309600000000, -0.1199502000000000, 0.0001770200000000 ] - [ -0.0009996700000000, 0.0000000000000000, -0.0014619300000000 ] - [ 0.0017979900000000, 0.0000000000000000, 0.0033162400000000 ] - [ -0.0004568000000000, -0.0003095500000000, 0.0004861100000000 ] - [ 0.0005567600000000, 0.0000000000000000, 0.0001924500000000 ] - [ 0.0000627400000000, 0.0002042500000000, 0.0004555400000000 ] - [ -0.0004568000000000, 0.0003095500000000, 0.0004861100000000 ] - [ 0.0000627400000000, -0.0002042500000000, 0.0004555400000000 ] - [ 0.0007981700000000, 0.0032059800000000, 0.0056032600000000 ] - [ 0.1621309600000000, 0.1199502000000000, 0.0001770200000000 ] - [ -0.0045541900000000, -0.0044151600000000, -0.0039631400000000 ] - [ 0.0001254300000000, -0.0006797800000000, -0.0009190300000000 ] - [ 0.0012052200000000, 0.0000000000000000, -0.0003284100000000 ] - [ 0.0058251600000000, 0.0017995800000000, 0.0059310700000000 ] - [ -0.0044697600000000, 0.0004467600000000, -0.0017776400000000 ] - [ 0.0018360300000000, 0.0007018900000000, -0.0020678000000000 ] - [ 0.0001254300000000, 0.0006797800000000, -0.0009190300000000 ] - [ -0.0072028800000000, 0.0000000000000000, 0.0013417600000000 ] - [ 0.3569674200000000, 0.0000000000000000, 0.0152053000000000 ] - [ -0.0044697600000000, -0.0004467600000000, -0.0017776400000000 ] - [ -0.0041442400000000, 0.0000000000000000, -0.0019230300000000 ] - [ 0.0084749700000000, 0.0000000000000000, 0.0040177900000000 ] - [ -0.0045541900000000, 0.0044151600000000, -0.0039631400000000 ] - [ 0.0037893800000000, 0.0009224800000000, 0.0008340600000000 ] - [ 0.0018360300000000, -0.0007018900000000, -0.0020678000000000 ] - [ 0.0007981700000000, -0.0032059800000000, 0.0056032600000000 ] - [ 0.0048354000000000, 0.0000000000000000, 0.0001773700000000 ] - [ 0.0058251600000000, -0.0017995800000000, 0.0059310700000000 ] - [ -0.0023116200000000, 0.0004598500000000, -0.0001667900000000 ] - [ -0.0034637100000000, 0.0000000000000000, -0.0007982500000000 ] - [ -0.0032209000000000, 0.0005995100000000, -0.0004268200000000 ] - [ -0.0009797200000000, 0.0000000000000000, 0.0007583900000000 ] - [ -0.0031611100000000, 0.0000000000000000, -0.0009054300000000 ] - [ -0.0013389100000000, 0.0004105400000000, -0.0007917800000000 ] - [ -0.0020032700000000, 0.0000000000000000, -0.0001180300000000 ] - [ -0.0013763700000000, 0.0001221500000000, -0.0006888700000000 ] - [ -0.0013389100000000, -0.0004105400000000, -0.0007917800000000 ] - [ -0.0013763700000000, -0.0001221500000000, -0.0006888700000000 ] - [ -0.0019029300000000, -0.0010652400000000, -0.0010707600000000 ] - [ -0.0032209000000000, -0.0005995100000000, -0.0004268200000000 ] - [ -0.0029608900000000, -0.0017385900000000, -0.0005058500000000 ] - [ -0.0021510500000000, -0.0004581200000000, -0.0003937900000000 ] - [ -0.0023401600000000, 0.0000000000000000, -0.0004623900000000 ] - [ -0.0018266700000000, 0.0004537700000000, -0.0004187500000000 ] - [ -0.0045208500000000, -0.0002796200000000, -0.0002028900000000 ] - [ -0.0023937300000000, 0.0003567200000000, -0.0005495100000000 ] - [ -0.0021510500000000, 0.0004581200000000, -0.0003937900000000 ] - [ -0.0083806700000000, 0.0000000000000000, -0.0018941000000000 ] - [ -0.0045557100000000, 0.0000000000000000, 0.0006718800000000 ] - [ -0.0045208500000000, 0.0002796200000000, -0.0002028900000000 ] - [ -0.0044340400000000, 0.0000000000000000, -0.0013482300000000 ] - [ -0.0031777800000000, 0.0000000000000000, -0.0007856100000000 ] - [ -0.0029608900000000, 0.0017385900000000, -0.0005058500000000 ] - [ -0.0023116200000000, -0.0004598500000000, -0.0001667900000000 ] - [ -0.0023937300000000, -0.0003567200000000, -0.0005495100000000 ] - [ -0.0019029300000000, 0.0010652400000000, -0.0010707600000000 ] - [ -0.0045248500000000, 0.0000000000000000, -0.0000638100000000 ] - [ -0.0018266700000000, -0.0004537700000000, -0.0004187500000000 ] - [ -0.0007244800000000, 0.0000000000000000, -0.0031219000000000 ] - [ -0.0038862000000000, 0.0000000000000000, -0.0062276700000000 ] - [ -0.0011343700000000, 0.0000000000000000, 0.0057988400000000 ] - [ 0.0004845800000000, 0.0000000000000000, 0.0015985500000000 ] - [ -0.0014658400000000, 0.0000000000000000, 0.0006073900000000 ] - [ -0.0015888100000000, 0.0000000000000000, 0.0007871600000000 ] - [ -0.0017165600000000, 0.0000000000000000, -0.0007338700000000 ] - [ -0.0014698700000000, 0.0000000000000000, -0.0007205600000000 ]- atom: 23 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0087320200000000, 0.0000000000000000, -0.0174443600000000 ] - [ -0.0029948300000000, 0.0000000000000000, 0.0030350600000000 ] - [ 0.0058839500000000, 0.0000000000000000, 0.0051545400000000 ] - [ 0.0062228700000000, 0.0000000000000000, 0.0049176700000000 ] - [ 0.0261638800000000, 0.0000000000000000, -0.0088641600000000 ] - [ -0.0029604000000000, 0.0000000000000000, -0.0041988200000000 ] - [ -0.0043444600000000, 0.0000000000000000, 0.0004143800000000 ] - [ -0.0034380200000000, 0.0000000000000000, -0.0038265600000000 ] - [ -0.0033473100000000, 0.0000000000000000, -0.0012044900000000 ] - [ -0.0035575800000000, 0.0000000000000000, -0.0007691200000000 ] - [ -0.0042332600000000, 0.0000000000000000, 0.0000834000000000 ] - [ -0.0034490700000000, 0.0000000000000000, 0.0023182600000000 ] - [ -0.0428977900000000, 0.0000000000000000, 0.0055167400000000 ] - [ 0.0031077900000000, 0.0000000000000000, -0.0008739800000000 ] - [ 0.0019396000000000, 0.0000000000000000, -0.0034433500000000 ] - [ -0.0365436800000000, 0.0000000000000000, 0.0223057400000000 ] - [ -0.0078106600000000, 0.0000000000000000, -0.0009381500000000 ] - [ -0.0043783800000000, 0.0000000000000000, 0.0001234500000000 ] - [ -0.0036192400000000, 0.0000000000000000, -0.0006122900000000 ] - [ -0.0079941900000000, 0.0000000000000000, -0.0001734000000000 ] - [ -0.0066133100000000, 0.0000000000000000, -0.0023316300000000 ] - [ -0.0016807500000000, 0.0000000000000000, -0.0003308900000000 ] - [ 0.7464279500000000, 0.0000000000000000, 0.0154599300000000 ] - [ 0.0064760800000000, 0.0000000000000000, 0.0055410200000000 ] - [ -0.0067645600000000, 0.0000000000000000, -0.0023148200000000 ] - [ 0.0002628300000000, 0.0000000000000000, 0.0004848500000000 ] - [ -0.0018811500000000, 0.0000000000000000, -0.0016398800000000 ] - [ 0.0025177300000000, 0.0000000000000000, 0.0002570200000000 ] - [ 0.0030708500000000, 0.0000000000000000, 0.0005137600000000 ] - [ 0.0079008000000000, 0.0000000000000000, 0.0007689500000000 ] - [ -0.0058246200000000, 0.0000000000000000, -0.0018420500000000 ] - [ -0.0033517900000000, 0.0000000000000000, -0.0010623100000000 ] - [ -0.0062045100000000, 0.0000000000000000, -0.0005390400000000 ] - [ -0.0049588800000000, 0.0000000000000000, -0.0024179700000000 ] - [ -0.0054340100000000, 0.0000000000000000, -0.0018953200000000 ] - [ -0.0025365200000000, 0.0000000000000000, -0.0008430500000000 ] - [ -0.0029458400000000, 0.0000000000000000, -0.0009793700000000 ] - [ -0.0018598700000000, 0.0000000000000000, -0.0004990200000000 ] - [ -0.0050573100000000, 0.0000000000000000, -0.0016907400000000 ] - [ -0.0040188600000000, 0.0000000000000000, 0.0000502700000000 ] - [ -0.0039473600000000, 0.0009306000000000, -0.0004862800000000 ] - [ -0.0056925800000000, 0.0000000000000000, 0.0077184400000000 ] - [ -0.1594732500000000, 0.1133572500000000, -0.0005513200000000 ] - [ 0.0013486300000000, 0.0000000000000000, 0.0015421000000000 ] - [ -0.0015941700000000, 0.0000000000000000, -0.0031148000000000 ] - [ -0.0000385200000000, 0.0002519300000000, -0.0004806400000000 ] - [ -0.0006648300000000, 0.0000000000000000, 0.0003340900000000 ] - [ -0.0000094600000000, 0.0007276900000000, -0.0004500100000000 ] - [ -0.0000385200000000, -0.0002519300000000, -0.0004806400000000 ] - [ -0.0000094600000000, -0.0007276900000000, -0.0004500100000000 ] - [ -0.0001018900000000, -0.0034008100000000, -0.0053800100000000 ] - [ -0.1594732500000000, -0.1133572500000000, -0.0005513200000000 ] - [ 0.0045275900000000, 0.0035001600000000, 0.0039675200000000 ] - [ -0.0008147600000000, 0.0008888300000000, 0.0007034500000000 ] - [ -0.0014010200000000, 0.0000000000000000, 0.0001136200000000 ] - [ -0.0045183900000000, -0.0019275300000000, -0.0054312800000000 ] - [ 0.0049673900000000, -0.0003932300000000, 0.0017698100000000 ] - [ -0.0031459400000000, -0.0006004800000000, 0.0015518700000000 ] - [ -0.0008147600000000, -0.0008888300000000, 0.0007034500000000 ] - [ 0.0068349500000000, 0.0000000000000000, -0.0014062100000000 ] - [ -0.3886129700000000, 0.0000000000000000, -0.0165014900000000 ] - [ 0.0049673900000000, 0.0003932300000000, 0.0017698100000000 ] - [ 0.0042745700000000, 0.0000000000000000, 0.0013923600000000 ] - [ -0.0073768500000000, 0.0000000000000000, -0.0036354000000000 ] - [ 0.0045275900000000, -0.0035001600000000, 0.0039675200000000 ] - [ -0.0039473600000000, -0.0009306000000000, -0.0004862800000000 ] - [ -0.0031459400000000, 0.0006004800000000, 0.0015518700000000 ] - [ -0.0001018900000000, 0.0034008100000000, -0.0053800100000000 ] - [ -0.0067387200000000, 0.0000000000000000, -0.0004697100000000 ] - [ -0.0045183900000000, 0.0019275300000000, -0.0054312800000000 ] - [ 0.0021655000000000, -0.0004520400000000, 0.0005156500000000 ] - [ 0.0023781500000000, 0.0000000000000000, 0.0004060000000000 ] - [ 0.0033751000000000, -0.0006059100000000, 0.0000779500000000 ] - [ 0.0013370300000000, 0.0000000000000000, -0.0006831500000000 ] - [ 0.0033698300000000, 0.0000000000000000, 0.0011214000000000 ] - [ 0.0008523200000000, -0.0004739100000000, 0.0007993700000000 ] - [ 0.0019021900000000, 0.0000000000000000, 0.0006435100000000 ] - [ 0.0014280800000000, 0.0008094300000000, 0.0006957700000000 ] - [ 0.0008523200000000, 0.0004739100000000, 0.0007993700000000 ] - [ 0.0014280800000000, -0.0008094300000000, 0.0006957700000000 ] - [ 0.0025897500000000, 0.0008606300000000, 0.0012905600000000 ] - [ 0.0033751000000000, 0.0006059100000000, 0.0000779500000000 ] - [ 0.0029125000000000, 0.0008065000000000, 0.0005013800000000 ] - [ 0.0014706500000000, 0.0006634200000000, 0.0001761900000000 ] - [ 0.0021396800000000, 0.0000000000000000, 0.0002482200000000 ] - [ 0.0031384500000000, -0.0005601800000000, 0.0009496900000000 ] - [ 0.0050167500000000, 0.0003359600000000, 0.0001919900000000 ] - [ 0.0010843000000000, -0.0002460100000000, 0.0000179800000000 ] - [ 0.0014706500000000, -0.0006634200000000, 0.0001761900000000 ] - [ 0.0080633200000000, 0.0000000000000000, 0.0018257400000000 ] - [ 0.0064535500000000, 0.0000000000000000, -0.0003785200000000 ] - [ 0.0050167500000000, -0.0003359600000000, 0.0001919900000000 ] - [ 0.0045417200000000, 0.0000000000000000, 0.0008227100000000 ] - [ 0.0042791500000000, 0.0000000000000000, 0.0011832500000000 ] - [ 0.0029125000000000, -0.0008065000000000, 0.0005013800000000 ] - [ 0.0021655000000000, 0.0004520400000000, 0.0005156500000000 ] - [ 0.0010843000000000, 0.0002460100000000, 0.0000179800000000 ] - [ 0.0025897500000000, -0.0008606300000000, 0.0012905600000000 ] - [ 0.0026405500000000, 0.0000000000000000, -0.0002269600000000 ] - [ 0.0031384500000000, 0.0005601800000000, 0.0009496900000000 ] - [ 0.0008572700000000, 0.0000000000000000, 0.0028273600000000 ] - [ 0.0043220900000000, 0.0000000000000000, 0.0065518200000000 ] - [ 0.0010168000000000, 0.0000000000000000, -0.0054949900000000 ] - [ -0.0008951200000000, 0.0000000000000000, -0.0019422200000000 ] - [ 0.0015862900000000, 0.0000000000000000, -0.0009145200000000 ] - [ 0.0020006400000000, 0.0000000000000000, -0.0004488500000000 ] - [ 0.0016026400000000, 0.0000000000000000, 0.0010374300000000 ] - [ 0.0010640700000000, 0.0000000000000000, 0.0003791800000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000085800000000, 0.0182568600000000, 0.0002468900000000 ] - [ 0.0000056000000000, 0.0000162800000000, -0.0000073200000000 ] - [ 0.0000137900000000, -0.0003072000000000, -0.0001724100000000 ] - [ -0.0001486600000000, -0.0009653600000000, 0.0000036700000000 ] - [ 0.0000026400000000, 0.0245913600000000, -0.0001474200000000 ] - [ 0.0000015900000000, 0.0000983400000000, 0.0000083300000000 ] - [ -0.0000157000000000, -0.0000004000000000, 0.0001592000000000 ] - [ 0.0000035400000000, 0.0000794900000000, 0.0000050600000000 ] - [ 0.0000255900000000, 0.0000010200000000, -0.0001616700000000 ] - [ -0.0001359700000000, 0.0000009000000000, 0.0000121700000000 ] - [ 0.0001481100000000, 0.0000005000000000, -0.0000084300000000 ] - [ 0.0000064400000000, 0.0001970800000000, -0.0000023400000000 ] - [ 0.0003912700000000, -0.0236944300000000, -0.0004981300000000 ] - [ -0.0003564500000000, -0.0001575500000000, 0.0004808400000000 ] - [ -0.0000466600000000, -0.0000347000000000, -0.0006120600000000 ] - [ 0.0001039700000000, 0.0002645600000000, 0.0005719300000000 ] - [ 0.0003624800000000, 0.0000184400000000, -0.0004800100000000 ] - [ -0.0003444000000000, 0.0000018900000000, 0.0004827500000000 ] - [ -0.0000395100000000, 0.0000003200000000, -0.0006052000000000 ] - [ 0.0000561800000000, -0.0000598700000000, 0.0006069500000000 ] - [ 0.0000809400000000, -0.0021530100000000, 0.0000090900000000 ] - [ -0.0009136300000000, -0.0001958800000000, -0.0002557000000000 ] - [ -0.0137787000000000, -0.6615915600000000, -0.0002343800000000 ] - [ -0.0005133200000000, 0.0093095200000000, -0.0004393600000000 ] - [ 0.0009239100000000, -0.0017596600000000, 0.0002587200000000 ] - [ -0.0000746200000000, 0.0000031500000000, -0.0000064700000000 ] - [ 0.0005258300000000, 0.0015364300000000, 0.0004466400000000 ] - [ 0.0009600700000000, 0.0008263900000000, 0.0003282400000000 ] - [ -0.0009779100000000, 0.0065034900000000, -0.0003205000000000 ] - [ 0.0001734600000000, -0.0000309700000000, 0.0002703900000000 ] - [ 0.0000844300000000, -0.0001037300000000, 0.0000081100000000 ] - [ -0.0009116600000000, 0.0000160200000000, -0.0002533400000000 ] - [ -0.0001790500000000, -0.0000011900000000, -0.0002717600000000 ] - [ -0.0005149000000000, -0.0000071500000000, -0.0004427200000000 ] - [ 0.0009278400000000, -0.0000355200000000, 0.0002600500000000 ] - [ -0.0000735000000000, 0.0000147200000000, -0.0000054300000000 ] - [ 0.0005235600000000, -0.0000208700000000, 0.0004464100000000 ] - [ 0.0009634500000000, -0.0000017400000000, 0.0003282100000000 ] - [ -0.0009509400000000, -0.0000137700000000, -0.0003243300000000 ] - [ 0.0001887000000000, -0.0000062600000000, 0.0002726100000000 ] - [ -0.0000713000000000, 0.0000305000000000, 0.0001706700000000 ] - [ -0.0005506900000000, 0.0002575700000000, -0.0002221100000000 ] - [ -0.1011811300000000, 0.2689140400000000, -0.0001350100000000 ] - [ 0.0001762600000000, 0.0000173900000000, 0.0000340600000000 ] - [ 0.0001087000000000, -0.0009627200000000, 0.0001154000000000 ] - [ -0.0002433600000000, -0.0000309800000000, 0.0000039700000000 ] - [ -0.0000498900000000, -0.0000098900000000, 0.0002653300000000 ] - [ 0.0000848800000000, 0.0005542600000000, -0.0000899000000000 ] - [ -0.0002481800000000, 0.0000254000000000, 0.0000038800000000 ] - [ -0.0000344300000000, -0.0003770900000000, 0.0000919100000000 ] - [ 0.0023379000000000, -0.0032242500000000, -0.0029011000000000 ] - [ 0.1139228600000000, 0.2877800900000000, -0.0002006500000000 ] - [ 0.0011074600000000, 0.0006752900000000, 0.0001696700000000 ] - [ 0.0000273800000000, -0.0004187600000000, 0.0005347400000000 ] - [ -0.0000982500000000, -0.0000854600000000, -0.0001102700000000 ] - [ 0.0029838700000000, -0.0026362600000000, -0.0013252500000000 ] - [ 0.0010826000000000, 0.0006525800000000, 0.0008403100000000 ] - [ -0.0006831500000000, -0.0007090300000000, 0.0004651700000000 ] - [ -0.0007082700000000, -0.0006090700000000, -0.0007467200000000 ] - [ -0.0001932500000000, -0.0003493000000000, -0.0000303300000000 ] - [ 0.0019489100000000, 0.0834811800000000, 0.0001810200000000 ] - [ -0.0006012900000000, 0.0005958600000000, -0.0008472700000000 ] - [ 0.0000605900000000, -0.0017240700000000, -0.0002606500000000 ] - [ 0.0005455500000000, -0.0027576400000000, 0.0002072400000000 ] - [ -0.0011605100000000, 0.0016341700000000, -0.0001935900000000 ] - [ -0.0000725500000000, 0.0000282700000000, 0.0001827000000000 ] - [ -0.0006088400000000, -0.0008189000000000, -0.0009975300000000 ] - [ -0.0016552200000000, -0.0030166500000000, 0.0031295500000000 ] - [ -0.0009384700000000, 0.0000242300000000, -0.0001441600000000 ] - [ -0.0016473400000000, -0.0025391200000000, 0.0018650900000000 ] - [ -0.0000814300000000, 0.0000054700000000, 0.0001754000000000 ] - [ -0.0005548900000000, 0.0000040600000000, -0.0001999200000000 ] - [ 0.0000710300000000, -0.0000018200000000, -0.0001764700000000 ] - [ 0.0001725100000000, 0.0000194100000000, 0.0000360900000000 ] - [ 0.0000953700000000, -0.0000090300000000, 0.0001081800000000 ] - [ -0.0002451900000000, -0.0000326600000000, 0.0000013000000000 ] - [ -0.0000561600000000, -0.0000014900000000, 0.0002618500000000 ] - [ 0.0000281800000000, 0.0004637700000000, 0.0000055800000000 ] - [ -0.0002533000000000, 0.0000232700000000, -0.0000019300000000 ] - [ 0.0000210600000000, -0.0004670600000000, -0.0000025700000000 ] - [ 0.0003479700000000, -0.0000986400000000, 0.0001085400000000 ] - [ 0.0000718700000000, 0.0000020300000000, -0.0001760500000000 ] - [ -0.0000491300000000, -0.0004971400000000, -0.0000746600000000 ] - [ -0.0003280300000000, 0.0001046900000000, -0.0001156700000000 ] - [ -0.0001002600000000, 0.0000003600000000, -0.0001076600000000 ] - [ 0.0006506900000000, -0.0000502000000000, 0.0002678000000000 ] - [ 0.0000908600000000, -0.0000074600000000, -0.0000620300000000 ] - [ -0.0006533500000000, 0.0000575200000000, -0.0002652600000000 ] - [ -0.0003599200000000, -0.0001000600000000, -0.0001057500000000 ] - [ -0.0001835700000000, 0.0004676600000000, -0.0000385500000000 ] - [ 0.0009351300000000, -0.0000018900000000, 0.0001465000000000 ] - [ 0.0003779900000000, -0.0000601900000000, 0.0000543700000000 ] - [ 0.0000433300000000, 0.0000334500000000, -0.0002663500000000 ] - [ 0.0005433400000000, 0.0000034600000000, 0.0001976200000000 ] - [ -0.0000097500000000, 0.0004382500000000, 0.0000715600000000 ] - [ -0.0000814100000000, -0.0000061500000000, 0.0001748100000000 ] - [ -0.0006527800000000, -0.0000559000000000, -0.0002645500000000 ] - [ 0.0003311500000000, 0.0001097500000000, 0.0001080700000000 ] - [ -0.0009460000000000, -0.0000003300000000, -0.0001438900000000 ] - [ 0.0006413900000000, 0.0000587700000000, 0.0002572500000000 ] - [ 0.0000603200000000, 0.0002051600000000, -0.0001567000000000 ] - [ 0.0002074800000000, 0.0042135000000000, 0.0001639800000000 ] - [ -0.0000649800000000, 0.0002045600000000, 0.0001701700000000 ] - [ -0.0002097900000000, -0.0000446500000000, -0.0001637800000000 ] - [ 0.0000612700000000, 0.0000002700000000, -0.0001488400000000 ] - [ 0.0002079900000000, -0.0000011300000000, 0.0001697900000000 ] - [ -0.0000650800000000, 0.0000218700000000, 0.0001490200000000 ] - [ -0.0002111400000000, 0.0000009200000000, -0.0001706600000000 ]- atom: 23 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0040680600000000, 0.0000000000000000, 0.0013784300000000 ] - [ -0.0004047100000000, 0.0000000000000000, 0.0002776200000000 ] - [ -0.0000386700000000, 0.0000000000000000, 0.0013717400000000 ] - [ -0.0009454200000000, 0.0000000000000000, 0.0013883200000000 ] - [ 0.0057574400000000, 0.0000000000000000, 0.0009740800000000 ] - [ 0.0000997200000000, 0.0000000000000000, -0.0005463500000000 ] - [ -0.0001810300000000, 0.0000000000000000, 0.0001793300000000 ] - [ 0.0000068300000000, 0.0000000000000000, -0.0000533400000000 ] - [ -0.0001085900000000, 0.0000000000000000, -0.0001822400000000 ] - [ -0.0002355900000000, 0.0000000000000000, -0.0000431600000000 ] - [ -0.0000229400000000, 0.0000000000000000, -0.0000178200000000 ] - [ -0.0001276500000000, 0.0000000000000000, 0.0000526400000000 ] - [ -0.0028536100000000, 0.0000000000000000, -0.0022234700000000 ] - [ -0.0001022200000000, 0.0000000000000000, 0.0015072300000000 ] - [ -0.0000266400000000, 0.0000000000000000, -0.0005904600000000 ] - [ -0.0057007000000000, 0.0000000000000000, 0.0024066900000000 ] - [ -0.0000644600000000, 0.0000000000000000, -0.0004586800000000 ] - [ -0.0005191300000000, 0.0000000000000000, 0.0004941400000000 ] - [ -0.0001181700000000, 0.0000000000000000, -0.0004957200000000 ] - [ -0.0002519600000000, 0.0000000000000000, 0.0005720000000000 ] - [ -0.0004901600000000, 0.0000000000000000, -0.0003623100000000 ] - [ -0.0010432300000000, 0.0000000000000000, -0.0002861200000000 ] - [ 0.0458804800000000, 0.0000000000000000, -0.2372680100000000 ] - [ -0.0007062200000000, 0.0000000000000000, -0.0011255400000000 ] - [ 0.0004634300000000, 0.0000000000000000, -0.0001822600000000 ] - [ 0.0000746200000000, 0.0000000000000000, 0.0000740700000000 ] - [ 0.0038478100000000, 0.0000000000000000, 0.0015436300000000 ] - [ 0.0010618300000000, 0.0000000000000000, 0.0006499600000000 ] - [ -0.0026807900000000, 0.0000000000000000, -0.0010659000000000 ] - [ 0.0003353300000000, 0.0000000000000000, 0.0002961900000000 ] - [ -0.0000878000000000, 0.0000000000000000, -0.0000394000000000 ] - [ -0.0007835900000000, 0.0000000000000000, -0.0002158000000000 ] - [ -0.0004215700000000, 0.0000000000000000, -0.0002827700000000 ] - [ -0.0006984900000000, 0.0000000000000000, -0.0005312600000000 ] - [ 0.0006989600000000, 0.0000000000000000, 0.0001791300000000 ] - [ -0.0001643300000000, 0.0000000000000000, -0.0000362000000000 ] - [ 0.0003889000000000, 0.0000000000000000, 0.0003909600000000 ] - [ 0.0008679600000000, 0.0000000000000000, 0.0002994800000000 ] - [ -0.0011095100000000, 0.0000000000000000, -0.0003767700000000 ] - [ 0.0000551800000000, 0.0000000000000000, 0.0002641200000000 ] - [ -0.0001865300000000, 0.0000345800000000, -0.0001027000000000 ] - [ -0.0032798000000000, 0.0000000000000000, -0.0000673200000000 ] - [ -0.0130696200000000, 0.0094089500000000, 0.0789766700000000 ] - [ -0.0000573600000000, 0.0000000000000000, 0.0000856200000000 ] - [ 0.0016121900000000, 0.0000000000000000, 0.0006808500000000 ] - [ -0.0003122700000000, -0.0000048500000000, -0.0000936600000000 ] - [ -0.0000702000000000, 0.0000000000000000, 0.0000147000000000 ] - [ 0.0001261900000000, 0.0004509700000000, -0.0000339100000000 ] - [ -0.0003122700000000, 0.0000048500000000, -0.0000936600000000 ] - [ 0.0001261900000000, -0.0004509700000000, -0.0000339100000000 ] - [ 0.0003201200000000, -0.0000859900000000, 0.0005599000000000 ] - [ -0.0130696200000000, -0.0094089500000000, 0.0789766700000000 ] - [ 0.0005913200000000, 0.0002088300000000, 0.0003016000000000 ] - [ -0.0016264400000000, -0.0008339400000000, -0.0005964700000000 ] - [ -0.0002069600000000, 0.0000000000000000, -0.0001680100000000 ] - [ 0.0014173500000000, -0.0005036600000000, 0.0000050500000000 ] - [ 0.0004794500000000, -0.0001091500000000, 0.0001540600000000 ] - [ -0.0009331300000000, -0.0001939400000000, -0.0001992100000000 ] - [ -0.0016264400000000, 0.0008339400000000, -0.0005964700000000 ] - [ 0.0000779200000000, 0.0000000000000000, -0.0000675100000000 ] - [ -0.0197200600000000, 0.0000000000000000, 0.0726546400000000 ] - [ 0.0004794500000000, 0.0001091500000000, 0.0001540600000000 ] - [ 0.0009550000000000, 0.0000000000000000, -0.0003467300000000 ] - [ 0.0007634200000000, 0.0000000000000000, 0.0004239000000000 ] - [ 0.0005913200000000, -0.0002088300000000, 0.0003016000000000 ] - [ -0.0001865300000000, -0.0000345800000000, -0.0001027000000000 ] - [ -0.0009331300000000, 0.0001939400000000, -0.0001992100000000 ] - [ 0.0003201200000000, 0.0000859900000000, 0.0005599000000000 ] - [ -0.0010098900000000, 0.0000000000000000, -0.0002277300000000 ] - [ 0.0014173500000000, 0.0005036600000000, 0.0000050500000000 ] - [ -0.0000038800000000, -0.0000071600000000, 0.0001853900000000 ] - [ -0.0004413200000000, 0.0000000000000000, -0.0001677100000000 ] - [ 0.0002084800000000, -0.0000216800000000, -0.0001634700000000 ] - [ 0.0002868400000000, 0.0000000000000000, 0.0000384700000000 ] - [ 0.0002088200000000, 0.0000000000000000, 0.0001470900000000 ] - [ -0.0002015700000000, -0.0000404500000000, 0.0000183600000000 ] - [ 0.0000136300000000, 0.0000000000000000, 0.0002728700000000 ] - [ -0.0000090500000000, 0.0004191600000000, -0.0000007800000000 ] - [ -0.0002015700000000, 0.0000404500000000, 0.0000183600000000 ] - [ -0.0000090500000000, -0.0004191600000000, -0.0000007800000000 ] - [ 0.0004289700000000, -0.0000485100000000, 0.0001847400000000 ] - [ 0.0002084800000000, 0.0000216800000000, -0.0001634700000000 ] - [ 0.0000783900000000, -0.0004222500000000, 0.0000210800000000 ] - [ -0.0002736300000000, 0.0001255200000000, -0.0000946000000000 ] - [ 0.0000010000000000, 0.0000000000000000, -0.0001276500000000 ] - [ 0.0007380600000000, -0.0000687000000000, 0.0002844400000000 ] - [ 0.0002210300000000, -0.0001484200000000, -0.0000574000000000 ] - [ -0.0005940100000000, 0.0000424300000000, -0.0002641300000000 ] - [ -0.0002736300000000, -0.0001255200000000, -0.0000946000000000 ] - [ 0.0006426100000000, 0.0000000000000000, 0.0002607700000000 ] - [ 0.0011537100000000, 0.0000000000000000, 0.0001295400000000 ] - [ 0.0002210300000000, 0.0001484200000000, -0.0000574000000000 ] - [ 0.0002284400000000, 0.0000000000000000, -0.0002294200000000 ] - [ 0.0007002700000000, 0.0000000000000000, 0.0002481700000000 ] - [ 0.0000783900000000, 0.0004222500000000, 0.0000210800000000 ] - [ -0.0000038800000000, 0.0000071600000000, 0.0001853900000000 ] - [ -0.0005940100000000, -0.0000424300000000, -0.0002641300000000 ] - [ 0.0004289700000000, 0.0000485100000000, 0.0001847400000000 ] - [ -0.0008383200000000, 0.0000000000000000, -0.0001461600000000 ] - [ 0.0007380600000000, 0.0000687000000000, 0.0002844400000000 ] - [ 0.0002182800000000, 0.0000000000000000, -0.0000383700000000 ] - [ -0.0002719100000000, 0.0000000000000000, 0.0010333100000000 ] - [ 0.0003011700000000, 0.0000000000000000, 0.0002664200000000 ] - [ -0.0000451600000000, 0.0000000000000000, -0.0006936500000000 ] - [ 0.0001475200000000, 0.0000000000000000, -0.0002251800000000 ] - [ 0.0002873600000000, 0.0000000000000000, 0.0001456300000000 ] - [ -0.0000042500000000, 0.0000000000000000, 0.0001822300000000 ] - [ -0.0001707700000000, 0.0000000000000000, -0.0001648500000000 ]- atom: 23 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0040455300000000, 0.0000000000000000, -0.0010906200000000 ] - [ 0.0004015600000000, 0.0000000000000000, -0.0002901400000000 ] - [ 0.0000567600000000, 0.0000000000000000, -0.0016934300000000 ] - [ 0.0007002800000000, 0.0000000000000000, -0.0013880200000000 ] - [ -0.0055382200000000, 0.0000000000000000, -0.0008999900000000 ] - [ -0.0001094900000000, 0.0000000000000000, 0.0005668600000000 ] - [ 0.0001612500000000, 0.0000000000000000, 0.0001305600000000 ] - [ -0.0000031300000000, 0.0000000000000000, 0.0000399400000000 ] - [ 0.0001244600000000, 0.0000000000000000, -0.0001382800000000 ] - [ -0.0000451100000000, 0.0000000000000000, 0.0000677400000000 ] - [ 0.0003007200000000, 0.0000000000000000, 0.0000016700000000 ] - [ 0.0001334900000000, 0.0000000000000000, -0.0000422800000000 ] - [ 0.0034911200000000, 0.0000000000000000, 0.0013033000000000 ] - [ -0.0006190900000000, 0.0000000000000000, -0.0005514300000000 ] - [ -0.0000498900000000, 0.0000000000000000, -0.0006327500000000 ] - [ 0.0058156800000000, 0.0000000000000000, -0.0013034600000000 ] - [ 0.0007769900000000, 0.0000000000000000, -0.0005136300000000 ] - [ -0.0001887300000000, 0.0000000000000000, 0.0004847600000000 ] - [ 0.0000168800000000, 0.0000000000000000, -0.0007156900000000 ] - [ 0.0003274200000000, 0.0000000000000000, 0.0006324900000000 ] - [ 0.0006147600000000, 0.0000000000000000, 0.0003621600000000 ] - [ -0.0007712800000000, 0.0000000000000000, -0.0002184900000000 ] - [ -0.0463494600000000, 0.0000000000000000, 0.2364175000000000 ] - [ -0.0003042400000000, 0.0000000000000000, 0.0002550800000000 ] - [ 0.0013883500000000, 0.0000000000000000, 0.0007005500000000 ] - [ -0.0002279800000000, 0.0000000000000000, -0.0000863700000000 ] - [ -0.0029691300000000, 0.0000000000000000, -0.0006890900000000 ] - [ 0.0008727500000000, 0.0000000000000000, 0.0000083400000000 ] - [ 0.0007346900000000, 0.0000000000000000, 0.0003839100000000 ] - [ 0.0000466000000000, 0.0000000000000000, 0.0002487100000000 ] - [ 0.0002302800000000, 0.0000000000000000, 0.0000455400000000 ] - [ -0.0010606800000000, 0.0000000000000000, -0.0002965300000000 ] - [ 0.0000409900000000, 0.0000000000000000, -0.0002616600000000 ] - [ -0.0003575100000000, 0.0000000000000000, -0.0003665500000000 ] - [ 0.0011274200000000, 0.0000000000000000, 0.0003288200000000 ] - [ 0.0000218200000000, 0.0000000000000000, 0.0000274300000000 ] - [ 0.0006509400000000, 0.0000000000000000, 0.0005008000000000 ] - [ 0.0010571700000000, 0.0000000000000000, 0.0003559600000000 ] - [ -0.0008226000000000, 0.0000000000000000, -0.0002828000000000 ] - [ 0.0003120200000000, 0.0000000000000000, 0.0002807900000000 ] - [ 0.0000333100000000, -0.0000294500000000, 0.0004586300000000 ] - [ 0.0022882200000000, 0.0000000000000000, -0.0002930000000000 ] - [ 0.0124605400000000, -0.0081284700000000, -0.0791689100000000 ] - [ 0.0004160300000000, 0.0000000000000000, -0.0000117200000000 ] - [ -0.0013913800000000, 0.0000000000000000, -0.0004474700000000 ] - [ -0.0001734200000000, -0.0000562700000000, 0.0001027000000000 ] - [ -0.0000348700000000, 0.0000000000000000, 0.0005160000000000 ] - [ -0.0000753700000000, 0.0004800700000000, 0.0000382500000000 ] - [ -0.0001734200000000, 0.0000562700000000, 0.0001027000000000 ] - [ -0.0000753700000000, -0.0004800700000000, 0.0000382500000000 ] - [ 0.0003497400000000, -0.0001317700000000, -0.0003569900000000 ] - [ 0.0124605400000000, 0.0081284700000000, -0.0791689100000000 ] - [ -0.0006643200000000, -0.0011520900000000, -0.0003193000000000 ] - [ 0.0009801400000000, 0.0010758200000000, 0.0003863300000000 ] - [ 0.0000094600000000, 0.0000000000000000, -0.0000458000000000 ] - [ -0.0001009200000000, 0.0003854300000000, 0.0005397100000000 ] - [ 0.0000271500000000, 0.0001655500000000, -0.0001507000000000 ] - [ -0.0003677200000000, 0.0002998600000000, -0.0003294200000000 ] - [ 0.0009801400000000, -0.0010758200000000, 0.0003863300000000 ] - [ -0.0004091800000000, 0.0000000000000000, -0.0000143800000000 ] - [ 0.0232312400000000, 0.0000000000000000, -0.0724338000000000 ] - [ 0.0000271500000000, -0.0001655500000000, -0.0001507000000000 ] - [ -0.0008002700000000, 0.0000000000000000, -0.0001604000000000 ] - [ 0.0003158200000000, 0.0000000000000000, -0.0000293000000000 ] - [ -0.0006643200000000, 0.0011520900000000, -0.0003193000000000 ] - [ 0.0000333100000000, 0.0000294500000000, 0.0004586300000000 ] - [ -0.0003677200000000, -0.0002998600000000, -0.0003294200000000 ] - [ 0.0003497400000000, 0.0001317700000000, -0.0003569900000000 ] - [ -0.0008873300000000, 0.0000000000000000, -0.0000594400000000 ] - [ -0.0001009200000000, -0.0003854300000000, 0.0005397100000000 ] - [ -0.0001490900000000, 0.0000137600000000, 0.0001671400000000 ] - [ -0.0006590700000000, 0.0000000000000000, -0.0002308700000000 ] - [ -0.0000563100000000, 0.0000194400000000, -0.0001883700000000 ] - [ 0.0000548700000000, 0.0000000000000000, 0.0000307400000000 ] - [ -0.0000133000000000, 0.0000000000000000, 0.0000686400000000 ] - [ -0.0002936200000000, -0.0000209000000000, -0.0000117500000000 ] - [ -0.0001306700000000, 0.0000000000000000, 0.0002501000000000 ] - [ 0.0000709000000000, 0.0005163200000000, 0.0000086300000000 ] - [ -0.0002936200000000, 0.0000209000000000, -0.0000117500000000 ] - [ 0.0000709000000000, -0.0005163200000000, 0.0000086300000000 ] - [ 0.0002583000000000, -0.0001603300000000, 0.0000339900000000 ] - [ -0.0000563100000000, -0.0000194400000000, -0.0001883700000000 ] - [ -0.0001311800000000, -0.0005092100000000, -0.0000260700000000 ] - [ -0.0004134300000000, 0.0000817000000000, -0.0001267700000000 ] - [ -0.0001905100000000, 0.0000000000000000, -0.0000848700000000 ] - [ 0.0005611300000000, -0.0000368900000000, 0.0002433300000000 ] - [ 0.0002676200000000, 0.0002046900000000, 0.0000515000000000 ] - [ -0.0007022600000000, 0.0000652800000000, -0.0002635000000000 ] - [ -0.0004134300000000, -0.0000817000000000, -0.0001267700000000 ] - [ -0.0010047100000000, 0.0000000000000000, -0.0003403700000000 ] - [ 0.0007399800000000, 0.0000000000000000, 0.0001600000000000 ] - [ 0.0002676200000000, -0.0002046900000000, 0.0000515000000000 ] - [ -0.0001182400000000, 0.0000000000000000, -0.0002965900000000 ] - [ 0.0003987500000000, 0.0000000000000000, 0.0001496400000000 ] - [ -0.0001311800000000, 0.0005092100000000, -0.0000260700000000 ] - [ -0.0001490900000000, -0.0000137600000000, 0.0001671400000000 ] - [ -0.0007022600000000, -0.0000652800000000, -0.0002635000000000 ] - [ 0.0002583000000000, 0.0001603300000000, 0.0000339900000000 ] - [ -0.0010435400000000, 0.0000000000000000, -0.0001426900000000 ] - [ 0.0005611300000000, 0.0000368900000000, 0.0002433300000000 ] - [ -0.0000963800000000, 0.0000000000000000, -0.0002580300000000 ] - [ 0.0006771500000000, 0.0000000000000000, -0.0006638100000000 ] - [ -0.0004258200000000, 0.0000000000000000, 0.0000525300000000 ] - [ -0.0003729600000000, 0.0000000000000000, 0.0003550600000000 ] - [ -0.0000185800000000, 0.0000000000000000, -0.0000795200000000 ] - [ 0.0001332600000000, 0.0000000000000000, 0.0001957100000000 ] - [ -0.0001219300000000, 0.0000000000000000, 0.0001262700000000 ] - [ -0.0002507000000000, 0.0000000000000000, -0.0001711800000000 ]- atom: 24 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0063652300000000, 0.0000000000000000, 0.0014711100000000 ] - [ 0.0018150600000000, 0.0000000000000000, 0.0008616700000000 ] - [ -0.0012038700000000, 0.0000000000000000, 0.0030142100000000 ] - [ -0.0230565400000000, 0.0000000000000000, 0.0021054100000000 ] - [ 0.0196465200000000, 0.0000000000000000, -0.0139108800000000 ] - [ 0.0041011500000000, 0.0000000000000000, -0.0001454200000000 ] - [ 0.0027876200000000, 0.0000000000000000, 0.0008441000000000 ] - [ -0.0006309500000000, 0.0000000000000000, 0.0033696000000000 ] - [ 0.0021306100000000, 0.0000000000000000, 0.0008249700000000 ] - [ 0.0029915400000000, 0.0000000000000000, -0.0001366500000000 ] - [ 0.0040100000000000, 0.0000000000000000, -0.0001768600000000 ] - [ 0.0198269900000000, 0.0000000000000000, -0.0070848400000000 ] - [ -0.0077231400000000, 0.0000000000000000, 0.0260366500000000 ] - [ 0.0046108100000000, 0.0000000000000000, 0.0053827800000000 ] - [ -0.0097094100000000, 0.0000000000000000, 0.0001955000000000 ] - [ 0.0009772300000000, 0.0000000000000000, -0.0018014500000000 ] - [ 0.0050435300000000, 0.0000000000000000, -0.0009121700000000 ] - [ 0.0020916600000000, 0.0000000000000000, -0.0016046400000000 ] - [ 0.0042044300000000, 0.0000000000000000, 0.0003808500000000 ] - [ 0.0053926900000000, 0.0000000000000000, 0.0037363400000000 ] - [ 0.0057120800000000, 0.0000000000000000, 0.0023388500000000 ] - [ -0.0036212300000000, 0.0000000000000000, -0.0020062500000000 ] - [ -0.0071896000000000, 0.0000000000000000, -0.0010539900000000 ] - [ -0.6229392300000000, 0.0000000000000000, -0.1826655800000000 ] - [ 0.0050955100000000, 0.0000000000000000, 0.0014780000000000 ] - [ 0.0029476700000000, 0.0000000000000000, 0.0010729800000000 ] - [ 0.0088639000000000, 0.0000000000000000, 0.0042475200000000 ] - [ -0.0032678500000000, 0.0000000000000000, -0.0004812100000000 ] - [ -0.0019138100000000, 0.0000000000000000, -0.0006917200000000 ] - [ 0.0025706300000000, 0.0000000000000000, 0.0038979000000000 ] - [ 0.0025476100000000, 0.0000000000000000, 0.0007709800000000 ] - [ 0.0032247200000000, 0.0000000000000000, 0.0010558200000000 ] - [ 0.0042288800000000, 0.0000000000000000, -0.0000745400000000 ] - [ 0.0026550500000000, 0.0000000000000000, 0.0009129000000000 ] - [ 0.0078374100000000, 0.0000000000000000, 0.0024798500000000 ] - [ -0.0001326500000000, 0.0000000000000000, -0.0001083700000000 ] - [ 0.0038064700000000, 0.0000000000000000, 0.0017784200000000 ] - [ 0.0035058800000000, 0.0000000000000000, 0.0011544500000000 ] - [ 0.0019049500000000, 0.0000000000000000, 0.0006486100000000 ] - [ 0.0036504600000000, 0.0000000000000000, 0.0004271300000000 ] - [ -0.0002451600000000, 0.0004126900000000, -0.0017368300000000 ] - [ -0.0077087800000000, 0.0000000000000000, -0.0016142300000000 ] - [ 0.0076891400000000, 0.0010153600000000, 0.0018815200000000 ] - [ -0.0034978300000000, 0.0000000000000000, -0.0005539100000000 ] - [ 0.0005346200000000, 0.0000000000000000, 0.0007345700000000 ] - [ -0.0021775300000000, 0.0002167700000000, -0.0007197400000000 ] - [ -0.0019795300000000, 0.0000000000000000, -0.0012783500000000 ] - [ 0.0033381300000000, 0.0004904600000000, 0.0036686900000000 ] - [ -0.0021775300000000, -0.0002167700000000, -0.0007197400000000 ] - [ 0.0033381300000000, -0.0004904600000000, 0.0036686900000000 ] - [ 0.1448272400000000, 0.1060643400000000, 0.0296314600000000 ] - [ 0.0076891400000000, -0.0010153600000000, 0.0018815200000000 ] - [ -0.0028445800000000, -0.0002674400000000, 0.0010698000000000 ] - [ -0.0042984400000000, -0.0016388000000000, -0.0022489500000000 ] - [ 0.0029939300000000, 0.0000000000000000, 0.0005290500000000 ] - [ 0.0017126400000000, 0.0001379600000000, 0.0002010400000000 ] - [ -0.0026466000000000, 0.0004427600000000, -0.0017541400000000 ] - [ 0.0017846200000000, -0.0005560100000000, -0.0010087900000000 ] - [ -0.0042984400000000, 0.0016388000000000, -0.0022489500000000 ] - [ -0.0048603600000000, 0.0000000000000000, -0.0007090600000000 ] - [ 0.0059174400000000, 0.0000000000000000, 0.0024910700000000 ] - [ -0.0026466000000000, -0.0004427600000000, -0.0017541400000000 ] - [ -0.0005251600000000, 0.0000000000000000, -0.0076124500000000 ] - [ 0.3151381700000000, 0.0000000000000000, 0.1192513500000000 ] - [ -0.0028445800000000, 0.0002674400000000, 0.0010698000000000 ] - [ -0.0002451600000000, -0.0004126900000000, -0.0017368300000000 ] - [ 0.0017846200000000, 0.0005560100000000, -0.0010087900000000 ] - [ 0.1448272400000000, -0.1060643400000000, 0.0296314600000000 ] - [ 0.0029045400000000, 0.0000000000000000, -0.0097600500000000 ] - [ 0.0017126400000000, -0.0001379600000000, 0.0002010400000000 ] - [ -0.0018155900000000, 0.0004199800000000, 0.0000853300000000 ] - [ -0.0032117200000000, 0.0000000000000000, -0.0007375100000000 ] - [ -0.0022568500000000, 0.0004947300000000, -0.0004196100000000 ] - [ 0.0016542000000000, 0.0000000000000000, 0.0028304500000000 ] - [ -0.0019176600000000, 0.0000000000000000, -0.0011375100000000 ] - [ 0.0004053300000000, 0.0003310300000000, 0.0000382000000000 ] - [ -0.0001875900000000, 0.0000000000000000, 0.0006659100000000 ] - [ -0.0019842300000000, -0.0003345200000000, -0.0006278700000000 ] - [ 0.0004053300000000, -0.0003310300000000, 0.0000382000000000 ] - [ -0.0019842300000000, 0.0003345200000000, -0.0006278700000000 ] - [ -0.0014004600000000, -0.0006368800000000, -0.0002165100000000 ] - [ -0.0022568500000000, -0.0004947300000000, -0.0004196100000000 ] - [ -0.0032604800000000, -0.0018346900000000, -0.0013305600000000 ] - [ -0.0025306000000000, 0.0000169400000000, 0.0004571100000000 ] - [ -0.0020761700000000, 0.0000000000000000, -0.0007524300000000 ] - [ -0.0010899400000000, 0.0002927000000000, -0.0004225300000000 ] - [ -0.0011558300000000, 0.0003323400000000, -0.0001757800000000 ] - [ -0.0021594200000000, 0.0003829200000000, -0.0007564700000000 ] - [ -0.0025306000000000, -0.0000169400000000, 0.0004571100000000 ] - [ -0.0035669700000000, 0.0000000000000000, -0.0003160500000000 ] - [ -0.0030500700000000, 0.0000000000000000, 0.0003107900000000 ] - [ -0.0011558300000000, -0.0003323400000000, -0.0001757800000000 ] - [ -0.0019232300000000, 0.0000000000000000, -0.0005962200000000 ] - [ -0.0022452400000000, 0.0000000000000000, -0.0002733600000000 ] - [ -0.0032604800000000, 0.0018346900000000, -0.0013305600000000 ] - [ -0.0018155900000000, -0.0004199800000000, 0.0000853300000000 ] - [ -0.0021594200000000, -0.0003829200000000, -0.0007564700000000 ] - [ -0.0014004600000000, 0.0006368800000000, -0.0002165100000000 ] - [ -0.0040571300000000, 0.0000000000000000, 0.0000635400000000 ] - [ -0.0010899400000000, -0.0002927000000000, -0.0004225300000000 ] - [ 0.0016031700000000, 0.0000000000000000, -0.0020033400000000 ] - [ 0.0040209500000000, 0.0000000000000000, -0.0047010300000000 ] - [ -0.0004904200000000, 0.0000000000000000, -0.0000734600000000 ] - [ -0.0005079300000000, 0.0000000000000000, -0.0016705700000000 ] - [ -0.0009835400000000, 0.0000000000000000, -0.0005132500000000 ] - [ -0.0008544900000000, 0.0000000000000000, 0.0001185600000000 ] - [ -0.0005806600000000, 0.0000000000000000, -0.0011906500000000 ] - [ -0.0007529200000000, 0.0000000000000000, -0.0003646800000000 ]- atom: 24 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0063646000000000, 0.0000000000000000, -0.0011591200000000 ] - [ -0.0018160300000000, 0.0000000000000000, -0.0008626900000000 ] - [ 0.0012615300000000, 0.0000000000000000, -0.0033316600000000 ] - [ 0.0229517900000000, 0.0000000000000000, -0.0021128000000000 ] - [ -0.0195216500000000, 0.0000000000000000, 0.0139819500000000 ] - [ -0.0041147700000000, 0.0000000000000000, 0.0001444700000000 ] - [ -0.0028381200000000, 0.0000000000000000, -0.0005275700000000 ] - [ 0.0006168200000000, 0.0000000000000000, -0.0033937600000000 ] - [ -0.0021002200000000, 0.0000000000000000, -0.0011521100000000 ] - [ -0.0032882900000000, 0.0000000000000000, 0.0001462800000000 ] - [ -0.0037222800000000, 0.0000000000000000, 0.0001729900000000 ] - [ -0.0196101200000000, 0.0000000000000000, 0.0070275300000000 ] - [ 0.0083974800000000, 0.0000000000000000, -0.0270714200000000 ] - [ -0.0052936400000000, 0.0000000000000000, -0.0044328000000000 ] - [ 0.0096074400000000, 0.0000000000000000, -0.0014263200000000 ] - [ -0.0008731700000000, 0.0000000000000000, 0.0030359600000000 ] - [ -0.0043625000000000, 0.0000000000000000, -0.0000557100000000 ] - [ -0.0027944400000000, 0.0000000000000000, 0.0025616300000000 ] - [ -0.0043145800000000, 0.0000000000000000, -0.0015944900000000 ] - [ -0.0053270300000000, 0.0000000000000000, -0.0025096800000000 ] - [ -0.0056132800000000, 0.0000000000000000, -0.0023303800000000 ] - [ 0.0017681600000000, 0.0000000000000000, 0.0014906600000000 ] - [ 0.0068588900000000, 0.0000000000000000, 0.0005197600000000 ] - [ 0.6419474800000000, 0.0000000000000000, 0.1925126600000000 ] - [ -0.0032805400000000, 0.0000000000000000, -0.0009735100000000 ] - [ -0.0030877100000000, 0.0000000000000000, -0.0010803700000000 ] - [ -0.0078900400000000, 0.0000000000000000, -0.0033920200000000 ] - [ 0.0051941400000000, 0.0000000000000000, 0.0011344600000000 ] - [ 0.0000289800000000, 0.0000000000000000, 0.0000483000000000 ] - [ -0.0022101600000000, 0.0000000000000000, -0.0033417600000000 ] - [ -0.0024142800000000, 0.0000000000000000, -0.0007660300000000 ] - [ -0.0050700000000000, 0.0000000000000000, -0.0015681100000000 ] - [ -0.0046203000000000, 0.0000000000000000, -0.0004673300000000 ] - [ -0.0037277300000000, 0.0000000000000000, -0.0018179300000000 ] - [ -0.0060075400000000, 0.0000000000000000, -0.0019714200000000 ] - [ -0.0000259000000000, 0.0000000000000000, 0.0000925600000000 ] - [ -0.0027628200000000, 0.0000000000000000, -0.0008858300000000 ] - [ -0.0016002400000000, 0.0000000000000000, -0.0005037600000000 ] - [ -0.0038358900000000, 0.0000000000000000, -0.0013079400000000 ] - [ -0.0032911000000000, 0.0000000000000000, 0.0001139500000000 ] - [ 0.0000884100000000, -0.0004084800000000, 0.0020801200000000 ] - [ 0.0066686700000000, 0.0000000000000000, 0.0012479800000000 ] - [ -0.0075895600000000, -0.0010321500000000, -0.0022455900000000 ] - [ 0.0038598800000000, 0.0000000000000000, 0.0006354900000000 ] - [ -0.0003376200000000, 0.0000000000000000, -0.0005244700000000 ] - [ 0.0016846900000000, -0.0002744300000000, 0.0007270800000000 ] - [ 0.0018780600000000, 0.0000000000000000, 0.0018081400000000 ] - [ -0.0032824400000000, 0.0004433400000000, -0.0036666100000000 ] - [ 0.0016846900000000, 0.0002744300000000, 0.0007270800000000 ] - [ -0.0032824400000000, -0.0004433400000000, -0.0036666100000000 ] - [ -0.1427370900000000, -0.1010103800000000, -0.0279367900000000 ] - [ -0.0075895600000000, 0.0010321500000000, -0.0022455900000000 ] - [ 0.0028168700000000, -0.0006664600000000, -0.0010815100000000 ] - [ 0.0036417000000000, 0.0018588500000000, 0.0020528400000000 ] - [ -0.0031995800000000, 0.0000000000000000, -0.0007428000000000 ] - [ -0.0004105900000000, -0.0002454900000000, 0.0003250400000000 ] - [ 0.0031807400000000, -0.0003856100000000, 0.0017591700000000 ] - [ -0.0030988800000000, 0.0006646300000000, 0.0004805600000000 ] - [ 0.0036417000000000, -0.0018588500000000, 0.0020528400000000 ] - [ 0.0045276300000000, 0.0000000000000000, 0.0005998400000000 ] - [ -0.0040550500000000, 0.0000000000000000, -0.0022162300000000 ] - [ 0.0031807400000000, 0.0003856100000000, 0.0017591700000000 ] - [ 0.0006486700000000, 0.0000000000000000, 0.0071109200000000 ] - [ -0.3371326800000000, 0.0000000000000000, -0.1325075100000000 ] - [ 0.0028168700000000, 0.0006664600000000, -0.0010815100000000 ] - [ 0.0000884100000000, 0.0004084800000000, 0.0020801200000000 ] - [ -0.0030988800000000, -0.0006646300000000, 0.0004805600000000 ] - [ -0.1427370900000000, 0.1010103800000000, -0.0279367900000000 ] - [ -0.0047966100000000, 0.0000000000000000, 0.0094676800000000 ] - [ -0.0004105900000000, 0.0002454900000000, 0.0003250400000000 ] - [ 0.0016737800000000, -0.0004153700000000, 0.0002641600000000 ] - [ 0.0021199000000000, 0.0000000000000000, 0.0003425400000000 ] - [ 0.0024085400000000, -0.0005004700000000, 0.0000715900000000 ] - [ -0.0012869300000000, 0.0000000000000000, -0.0027418100000000 ] - [ 0.0021346200000000, 0.0000000000000000, 0.0013553000000000 ] - [ -0.0008944600000000, -0.0003914400000000, -0.0000283900000000 ] - [ 0.0000940900000000, 0.0000000000000000, -0.0001383700000000 ] - [ 0.0020330800000000, 0.0012665700000000, 0.0006355100000000 ] - [ -0.0008944600000000, 0.0003914400000000, -0.0000283900000000 ] - [ 0.0020330800000000, -0.0012665700000000, 0.0006355100000000 ] - [ 0.0020838200000000, 0.0004326500000000, 0.0004345400000000 ] - [ 0.0024085400000000, 0.0005004700000000, 0.0000715900000000 ] - [ 0.0032190100000000, 0.0009069400000000, 0.0013202800000000 ] - [ 0.0018471000000000, 0.0001905500000000, -0.0006710900000000 ] - [ 0.0018766600000000, 0.0000000000000000, 0.0005388100000000 ] - [ 0.0024094400000000, -0.0004030800000000, 0.0009555200000000 ] - [ 0.0016533800000000, -0.0002742000000000, 0.0001679100000000 ] - [ 0.0008522800000000, -0.0002742200000000, 0.0002264300000000 ] - [ 0.0018471000000000, -0.0001905500000000, -0.0006710900000000 ] - [ 0.0032292600000000, 0.0000000000000000, 0.0002443300000000 ] - [ 0.0049606400000000, 0.0000000000000000, -0.0000175200000000 ] - [ 0.0016533800000000, 0.0002742000000000, 0.0001679100000000 ] - [ 0.0020288300000000, 0.0000000000000000, 0.0000721000000000 ] - [ 0.0033435400000000, 0.0000000000000000, 0.0006675200000000 ] - [ 0.0032190100000000, -0.0009069400000000, 0.0013202800000000 ] - [ 0.0016737800000000, 0.0004153700000000, 0.0002641600000000 ] - [ 0.0008522800000000, 0.0002742200000000, 0.0002264300000000 ] - [ 0.0020838200000000, -0.0004326500000000, 0.0004345400000000 ] - [ 0.0021664500000000, 0.0000000000000000, -0.0003587800000000 ] - [ 0.0024094400000000, 0.0004030800000000, 0.0009555200000000 ] - [ -0.0014905400000000, 0.0000000000000000, 0.0017089100000000 ] - [ -0.0036435000000000, 0.0000000000000000, 0.0050990000000000 ] - [ 0.0003764000000000, 0.0000000000000000, 0.0003730500000000 ] - [ 0.0000990700000000, 0.0000000000000000, 0.0013313400000000 ] - [ 0.0010983200000000, 0.0000000000000000, 0.0002086000000000 ] - [ 0.0012620800000000, 0.0000000000000000, 0.0002218400000000 ] - [ 0.0004748100000000, 0.0000000000000000, 0.0014990300000000 ] - [ 0.0003524100000000, 0.0000000000000000, 0.0000268800000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000266300000000, -0.0004494000000000, 0.0001550900000000 ] - [ 0.0000003800000000, -0.0000008400000000, 0.0000002300000000 ] - [ 0.0000222300000000, -0.0000611900000000, -0.0001633600000000 ] - [ -0.0002563200000000, 0.0247424500000000, -0.0001673900000000 ] - [ 0.0001808200000000, -0.0012418300000000, -0.0000179000000000 ] - [ 0.0000080900000000, -0.0000072700000000, 0.0000021700000000 ] - [ -0.0000223700000000, -0.0000007100000000, 0.0001622500000000 ] - [ -0.0000022400000000, 0.0000100900000000, -0.0000056200000000 ] - [ 0.0000276400000000, -0.0000000900000000, -0.0001635200000000 ] - [ -0.0001410200000000, 0.0000018400000000, 0.0000030500000000 ] - [ 0.0001529200000000, -0.0000471500000000, -0.0000014800000000 ] - [ 0.0000554400000000, -0.0110651200000000, -0.0000222900000000 ] - [ 0.0003942700000000, 0.0450227800000000, -0.0003654700000000 ] - [ -0.0003469500000000, 0.0001457500000000, 0.0004938000000000 ] - [ -0.0000578000000000, -0.0010775800000000, -0.0006288700000000 ] - [ 0.0000504400000000, 0.0000171200000000, 0.0006016200000000 ] - [ 0.0003582200000000, 0.0000006900000000, -0.0004783200000000 ] - [ -0.0003377900000000, -0.0000839500000000, 0.0004702500000000 ] - [ -0.0000405200000000, -0.0000011400000000, -0.0006051400000000 ] - [ 0.0000431600000000, 0.0000536800000000, 0.0006204900000000 ] - [ 0.0000820000000000, -0.0003742200000000, 0.0000150800000000 ] - [ -0.0009016500000000, 0.0097849700000000, -0.0002578400000000 ] - [ -0.0002012400000000, 0.0093185300000000, -0.0002652800000000 ] - [ -0.0130109900000000, -0.6499667900000000, -0.0056883500000000 ] - [ 0.0009342400000000, -0.0000191900000000, 0.0002596700000000 ] - [ -0.0000682500000000, 0.0000046700000000, -0.0000028700000000 ] - [ 0.0005134100000000, -0.0004180700000000, 0.0004414900000000 ] - [ 0.0009486800000000, -0.0000253800000000, 0.0003220700000000 ] - [ -0.0009423500000000, -0.0001387200000000, -0.0003233200000000 ] - [ 0.0001959300000000, 0.0015410900000000, 0.0002839400000000 ] - [ 0.0000700600000000, -0.0000012100000000, 0.0000036000000000 ] - [ -0.0009095300000000, 0.0000017400000000, -0.0002516100000000 ] - [ -0.0001785000000000, -0.0000056000000000, -0.0002695900000000 ] - [ -0.0005325200000000, 0.0000038600000000, -0.0004514100000000 ] - [ 0.0009289800000000, -0.0017842300000000, 0.0002600900000000 ] - [ -0.0000703900000000, -0.0002479100000000, -0.0000052700000000 ] - [ 0.0005296100000000, 0.0006637400000000, 0.0004494100000000 ] - [ 0.0009559400000000, 0.0000075000000000, 0.0003259600000000 ] - [ -0.0009548700000000, 0.0000019400000000, -0.0003261100000000 ] - [ 0.0001865300000000, -0.0000171700000000, 0.0002703500000000 ] - [ -0.0005082900000000, -0.0007921600000000, -0.0005741900000000 ] - [ -0.0005333900000000, 0.0012808700000000, -0.0001984900000000 ] - [ 0.0032574200000000, -0.0043259400000000, -0.0038928600000000 ] - [ 0.0001710400000000, -0.0000003000000000, 0.0000375900000000 ] - [ 0.0001046100000000, 0.0000239300000000, 0.0001105100000000 ] - [ -0.0002513300000000, -0.0000351600000000, -0.0000004900000000 ] - [ -0.0000554000000000, 0.0000062900000000, 0.0002600800000000 ] - [ -0.0030279800000000, -0.0033906000000000, 0.0040619700000000 ] - [ -0.0002435000000000, 0.0000309500000000, 0.0000070100000000 ] - [ 0.0030603900000000, -0.0043241100000000, -0.0040230600000000 ] - [ 0.1055244800000000, 0.2668044400000000, 0.0382114000000000 ] - [ -0.0030907000000000, -0.0043133700000000, 0.0035278400000000 ] - [ 0.0000034800000000, -0.0004861000000000, -0.0000023500000000 ] - [ -0.0003965200000000, 0.0001974600000000, -0.0000530800000000 ] - [ -0.0001008400000000, -0.0000359700000000, -0.0001047900000000 ] - [ 0.0006098800000000, -0.0000054100000000, 0.0002934700000000 ] - [ -0.0005446900000000, 0.0000920700000000, 0.0001134700000000 ] - [ -0.0006384000000000, 0.0000708900000000, -0.0002730000000000 ] - [ -0.0002870600000000, -0.0000164900000000, -0.0001652300000000 ] - [ -0.0001664000000000, -0.0044298000000000, -0.0000465700000000 ] - [ 0.0009545400000000, -0.0015233000000000, 0.0001502700000000 ] - [ 0.0010438600000000, 0.0000156700000000, -0.0001201200000000 ] - [ 0.0000558500000000, 0.0006851900000000, -0.0002851200000000 ] - [ 0.0015090100000000, 0.0836939100000000, 0.0006570200000000 ] - [ -0.0000671700000000, 0.0004446900000000, -0.0000015300000000 ] - [ 0.0003748600000000, -0.0008086700000000, 0.0009224800000000 ] - [ -0.0006663400000000, -0.0000360600000000, -0.0002565500000000 ] - [ -0.0933838100000000, 0.2480874800000000, -0.0331078400000000 ] - [ -0.0009441500000000, -0.0001890500000000, -0.0001702100000000 ] - [ 0.0007097400000000, 0.0001069100000000, 0.0002408200000000 ] - [ -0.0000843700000000, 0.0000125300000000, 0.0001836800000000 ] - [ -0.0005525500000000, -0.0001344700000000, -0.0001976500000000 ] - [ 0.0000732900000000, 0.0000002800000000, -0.0001741600000000 ] - [ 0.0001652100000000, -0.0010527300000000, 0.0000408000000000 ] - [ 0.0001059500000000, 0.0000008400000000, 0.0001089300000000 ] - [ -0.0003634300000000, 0.0000868300000000, 0.0000804800000000 ] - [ -0.0000563100000000, 0.0000363000000000, 0.0002610600000000 ] - [ 0.0000211200000000, 0.0004644000000000, 0.0000033200000000 ] - [ -0.0001274700000000, 0.0001540800000000, -0.0000702900000000 ] - [ 0.0000222300000000, -0.0004653400000000, 0.0000022000000000 ] - [ 0.0003367400000000, -0.0001051400000000, 0.0001065900000000 ] - [ 0.0000657500000000, 0.0000024500000000, -0.0001735600000000 ] - [ -0.0007093200000000, -0.0007562600000000, -0.0003607300000000 ] - [ -0.0008622200000000, 0.0000339500000000, 0.0000445400000000 ] - [ -0.0001091000000000, -0.0000004800000000, -0.0001109600000000 ] - [ 0.0006540200000000, -0.0000564200000000, 0.0002656700000000 ] - [ 0.0002418800000000, 0.0000342700000000, -0.0000040000000000 ] - [ -0.0006586700000000, 0.0000527300000000, -0.0002671500000000 ] - [ 0.0001707300000000, -0.0001695700000000, -0.0002611700000000 ] - [ -0.0001810800000000, 0.0000063100000000, -0.0000406800000000 ] - [ 0.0009451100000000, -0.0000163500000000, 0.0001470800000000 ] - [ 0.0002420100000000, -0.0000339600000000, -0.0000035500000000 ] - [ 0.0000521600000000, -0.0000003200000000, -0.0002616700000000 ] - [ 0.0005395900000000, -0.0000018000000000, 0.0001929500000000 ] - [ 0.0006501200000000, 0.0001809100000000, 0.0003464000000000 ] - [ -0.0000686200000000, 0.0000067100000000, 0.0001625100000000 ] - [ -0.0006602700000000, -0.0000571600000000, -0.0002673600000000 ] - [ 0.0003376000000000, 0.0001050200000000, 0.0001065500000000 ] - [ -0.0009542100000000, 0.0000029900000000, -0.0001465300000000 ] - [ 0.0006581900000000, 0.0000521500000000, 0.0002674500000000 ] - [ 0.0000594000000000, -0.0000079200000000, -0.0001490700000000 ] - [ 0.0002035200000000, 0.0005269600000000, 0.0001857600000000 ] - [ -0.0000572300000000, -0.0000034700000000, 0.0001546200000000 ] - [ -0.0002034700000000, -0.0000204400000000, -0.0001719500000000 ] - [ 0.0000546400000000, -0.0000004800000000, -0.0001533300000000 ] - [ 0.0002009200000000, 0.0000000800000000, 0.0001713300000000 ] - [ -0.0000570400000000, 0.0000109800000000, 0.0001532500000000 ] - [ -0.0002050700000000, -0.0000044000000000, -0.0001694600000000 ]- atom: 24 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0020662300000000, 0.0000000000000000, 0.0022244500000000 ] - [ 0.0005463200000000, 0.0000000000000000, 0.0003799400000000 ] - [ -0.0003527500000000, 0.0000000000000000, 0.0012413500000000 ] - [ -0.0041832000000000, 0.0000000000000000, 0.0037330300000000 ] - [ 0.0020958600000000, 0.0000000000000000, -0.0055462200000000 ] - [ 0.0014776600000000, 0.0000000000000000, -0.0000693000000000 ] - [ 0.0009396000000000, 0.0000000000000000, 0.0004287900000000 ] - [ -0.0002711900000000, 0.0000000000000000, 0.0014340800000000 ] - [ 0.0007139300000000, 0.0000000000000000, 0.0002842400000000 ] - [ 0.0009228100000000, 0.0000000000000000, -0.0000748800000000 ] - [ 0.0015431100000000, 0.0000000000000000, -0.0001615100000000 ] - [ 0.0015206800000000, 0.0000000000000000, -0.0039639100000000 ] - [ 0.0019460500000000, 0.0000000000000000, 0.0130070600000000 ] - [ 0.0014237500000000, 0.0000000000000000, 0.0023306800000000 ] - [ -0.0034247400000000, 0.0000000000000000, 0.0013138500000000 ] - [ -0.0004239700000000, 0.0000000000000000, -0.0002189500000000 ] - [ 0.0019831300000000, 0.0000000000000000, -0.0007107600000000 ] - [ 0.0001058100000000, 0.0000000000000000, -0.0001868000000000 ] - [ 0.0013988900000000, 0.0000000000000000, -0.0001967600000000 ] - [ 0.0020661300000000, 0.0000000000000000, 0.0018586200000000 ] - [ 0.0043721600000000, 0.0000000000000000, 0.0015346800000000 ] - [ -0.0030831700000000, 0.0000000000000000, -0.0022059400000000 ] - [ -0.0055807100000000, 0.0000000000000000, -0.0014027500000000 ] - [ -0.1325374700000000, 0.0000000000000000, -0.3145865000000000 ] - [ 0.0025113100000000, 0.0000000000000000, 0.0007267200000000 ] - [ 0.0010170900000000, 0.0000000000000000, 0.0003977600000000 ] - [ 0.0036353700000000, 0.0000000000000000, 0.0019877000000000 ] - [ -0.0000811000000000, 0.0000000000000000, 0.0001720700000000 ] - [ -0.0015859000000000, 0.0000000000000000, -0.0005479300000000 ] - [ 0.0020056700000000, 0.0000000000000000, 0.0012555000000000 ] - [ 0.0008652000000000, 0.0000000000000000, 0.0002458000000000 ] - [ 0.0005603700000000, 0.0000000000000000, 0.0002164500000000 ] - [ 0.0014006200000000, 0.0000000000000000, -0.0002053000000000 ] - [ 0.0005617600000000, 0.0000000000000000, 0.0000158000000000 ] - [ 0.0037394400000000, 0.0000000000000000, 0.0008693700000000 ] - [ -0.0002799000000000, 0.0000000000000000, -0.0000745600000000 ] - [ 0.0015742600000000, 0.0000000000000000, 0.0008629600000000 ] - [ 0.0018274400000000, 0.0000000000000000, 0.0006118500000000 ] - [ 0.0001165000000000, 0.0000000000000000, 0.0000482200000000 ] - [ 0.0013221000000000, 0.0000000000000000, 0.0003202900000000 ] - [ -0.0005912200000000, 0.0004692200000000, -0.0004578500000000 ] - [ -0.0035025900000000, 0.0000000000000000, -0.0004000000000000 ] - [ 0.0031236900000000, -0.0006495700000000, 0.0002042200000000 ] - [ -0.0011367100000000, 0.0000000000000000, -0.0001732500000000 ] - [ 0.0004567500000000, 0.0000000000000000, 0.0004144600000000 ] - [ -0.0009310400000000, 0.0000602600000000, -0.0002764200000000 ] - [ -0.0007351300000000, 0.0000000000000000, -0.0003194600000000 ] - [ 0.0017154800000000, 0.0010085300000000, 0.0016743800000000 ] - [ -0.0009310400000000, -0.0000602600000000, -0.0002764200000000 ] - [ 0.0017154800000000, -0.0010085300000000, 0.0016743800000000 ] - [ 0.0184783800000000, 0.0381703100000000, 0.0876819700000000 ] - [ 0.0031236900000000, 0.0006495700000000, 0.0002042200000000 ] - [ -0.0012339600000000, -0.0001771500000000, 0.0005520900000000 ] - [ -0.0017838700000000, -0.0005692800000000, -0.0009331800000000 ] - [ 0.0007326800000000, 0.0000000000000000, -0.0001312200000000 ] - [ 0.0012067400000000, -0.0000241800000000, 0.0001075400000000 ] - [ -0.0011525400000000, 0.0009772800000000, -0.0006961300000000 ] - [ 0.0000034300000000, -0.0000496800000000, -0.0007480400000000 ] - [ -0.0017838700000000, 0.0005692800000000, -0.0009331800000000 ] - [ -0.0028596400000000, 0.0000000000000000, -0.0013014300000000 ] - [ 0.0050688500000000, 0.0000000000000000, 0.0013221400000000 ] - [ -0.0011525400000000, -0.0009772800000000, -0.0006961300000000 ] - [ -0.0016201600000000, 0.0000000000000000, -0.0030452500000000 ] - [ 0.0944644100000000, 0.0000000000000000, 0.1296858500000000 ] - [ -0.0012339600000000, 0.0001771500000000, 0.0005520900000000 ] - [ -0.0005912200000000, -0.0004692200000000, -0.0004578500000000 ] - [ 0.0000034300000000, 0.0000496800000000, -0.0007480400000000 ] - [ 0.0184783800000000, -0.0381703100000000, 0.0876819700000000 ] - [ -0.0007911900000000, 0.0000000000000000, -0.0026104100000000 ] - [ 0.0012067400000000, 0.0000241800000000, 0.0001075400000000 ] - [ -0.0006182600000000, 0.0001538100000000, 0.0001398100000000 ] - [ -0.0014004000000000, 0.0000000000000000, -0.0003340800000000 ] - [ -0.0007561600000000, 0.0001812100000000, -0.0002522500000000 ] - [ 0.0018960100000000, 0.0000000000000000, 0.0015927500000000 ] - [ -0.0006455300000000, 0.0000000000000000, -0.0003746200000000 ] - [ 0.0001005500000000, 0.0000842100000000, -0.0000794700000000 ] - [ 0.0000269700000000, 0.0000000000000000, 0.0004268000000000 ] - [ -0.0006858900000000, 0.0001785100000000, -0.0002262500000000 ] - [ 0.0001005500000000, -0.0000842100000000, -0.0000794700000000 ] - [ -0.0006858900000000, -0.0001785100000000, -0.0002262500000000 ] - [ -0.0002676200000000, -0.0002833100000000, 0.0000165600000000 ] - [ -0.0007561600000000, -0.0001812100000000, -0.0002522500000000 ] - [ -0.0014038200000000, -0.0011226800000000, -0.0004297800000000 ] - [ -0.0010641600000000, 0.0001249800000000, 0.0001920500000000 ] - [ -0.0007847600000000, 0.0000000000000000, -0.0003470300000000 ] - [ 0.0000192900000000, 0.0000795000000000, -0.0000079500000000 ] - [ -0.0001668000000000, 0.0001522200000000, -0.0000369600000000 ] - [ -0.0011748300000000, 0.0001702700000000, -0.0004521100000000 ] - [ -0.0010641600000000, -0.0001249800000000, 0.0001920500000000 ] - [ -0.0013830300000000, 0.0000000000000000, -0.0001547900000000 ] - [ -0.0005032400000000, 0.0000000000000000, 0.0002192400000000 ] - [ -0.0001668000000000, -0.0001522200000000, -0.0000369600000000 ] - [ -0.0005874700000000, 0.0000000000000000, -0.0003539600000000 ] - [ -0.0004250800000000, 0.0000000000000000, 0.0000511600000000 ] - [ -0.0014038200000000, 0.0011226800000000, -0.0004297800000000 ] - [ -0.0006182600000000, -0.0001538100000000, 0.0001398100000000 ] - [ -0.0011748300000000, -0.0001702700000000, -0.0004521100000000 ] - [ -0.0002676200000000, 0.0002833100000000, 0.0000165600000000 ] - [ -0.0019695000000000, 0.0000000000000000, -0.0000791600000000 ] - [ 0.0000192900000000, -0.0000795000000000, -0.0000079500000000 ] - [ 0.0005445300000000, 0.0000000000000000, -0.0011592600000000 ] - [ 0.0006543600000000, 0.0000000000000000, -0.0004711500000000 ] - [ -0.0001476500000000, 0.0000000000000000, -0.0000379100000000 ] - [ -0.0002799000000000, 0.0000000000000000, -0.0008058400000000 ] - [ -0.0002915500000000, 0.0000000000000000, -0.0003101900000000 ] - [ -0.0001609900000000, 0.0000000000000000, 0.0001500800000000 ] - [ -0.0002289800000000, 0.0000000000000000, -0.0004222200000000 ] - [ -0.0003485700000000, 0.0000000000000000, -0.0003248800000000 ]- atom: 24 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0019986400000000, 0.0000000000000000, -0.0018928200000000 ] - [ -0.0005535100000000, 0.0000000000000000, -0.0003822700000000 ] - [ 0.0004073900000000, 0.0000000000000000, -0.0015753400000000 ] - [ 0.0038770900000000, 0.0000000000000000, -0.0036660100000000 ] - [ -0.0018112600000000, 0.0000000000000000, 0.0055220400000000 ] - [ -0.0014719400000000, 0.0000000000000000, 0.0000716600000000 ] - [ -0.0010028800000000, 0.0000000000000000, -0.0001057400000000 ] - [ 0.0002810800000000, 0.0000000000000000, -0.0014323900000000 ] - [ -0.0006514000000000, 0.0000000000000000, -0.0006065400000000 ] - [ -0.0012154700000000, 0.0000000000000000, 0.0000820600000000 ] - [ -0.0012602100000000, 0.0000000000000000, 0.0001530200000000 ] - [ -0.0015610500000000, 0.0000000000000000, 0.0040085200000000 ] - [ -0.0012008800000000, 0.0000000000000000, -0.0141640200000000 ] - [ -0.0021375300000000, 0.0000000000000000, -0.0013383000000000 ] - [ 0.0033632400000000, 0.0000000000000000, -0.0025498800000000 ] - [ 0.0005150300000000, 0.0000000000000000, 0.0014227300000000 ] - [ -0.0012906600000000, 0.0000000000000000, -0.0002531600000000 ] - [ -0.0007885000000000, 0.0000000000000000, 0.0011599400000000 ] - [ -0.0015039400000000, 0.0000000000000000, -0.0010084600000000 ] - [ -0.0019595400000000, 0.0000000000000000, -0.0006564000000000 ] - [ -0.0041403300000000, 0.0000000000000000, -0.0015072400000000 ] - [ 0.0012844000000000, 0.0000000000000000, 0.0017320000000000 ] - [ 0.0051759000000000, 0.0000000000000000, 0.0008405900000000 ] - [ 0.1354079100000000, 0.0000000000000000, 0.3152614900000000 ] - [ -0.0006712800000000, 0.0000000000000000, -0.0002179100000000 ] - [ -0.0011564200000000, 0.0000000000000000, -0.0004033200000000 ] - [ -0.0025868000000000, 0.0000000000000000, -0.0010897900000000 ] - [ 0.0019831400000000, 0.0000000000000000, 0.0004772600000000 ] - [ -0.0003098900000000, 0.0000000000000000, -0.0001030400000000 ] - [ -0.0017221900000000, 0.0000000000000000, -0.0007203300000000 ] - [ -0.0007256000000000, 0.0000000000000000, -0.0002400300000000 ] - [ -0.0023932700000000, 0.0000000000000000, -0.0007221200000000 ] - [ -0.0017815600000000, 0.0000000000000000, -0.0003331200000000 ] - [ -0.0016332200000000, 0.0000000000000000, -0.0009214900000000 ] - [ -0.0019447300000000, 0.0000000000000000, -0.0003712700000000 ] - [ 0.0001443100000000, 0.0000000000000000, 0.0000692000000000 ] - [ -0.0005404000000000, 0.0000000000000000, 0.0000248200000000 ] - [ 0.0000789200000000, 0.0000000000000000, 0.0000403200000000 ] - [ -0.0020167600000000, 0.0000000000000000, -0.0006975800000000 ] - [ -0.0009506300000000, 0.0000000000000000, 0.0002185400000000 ] - [ 0.0004684900000000, -0.0004749100000000, 0.0007970400000000 ] - [ 0.0023922400000000, 0.0000000000000000, 0.0000045100000000 ] - [ -0.0029752300000000, 0.0006229300000000, -0.0005281600000000 ] - [ 0.0014903600000000, 0.0000000000000000, 0.0002515900000000 ] - [ -0.0002305000000000, 0.0000000000000000, -0.0001926700000000 ] - [ 0.0004417200000000, -0.0001242600000000, 0.0002858300000000 ] - [ 0.0006407900000000, 0.0000000000000000, 0.0008427900000000 ] - [ -0.0016924800000000, -0.0000941700000000, -0.0016888700000000 ] - [ 0.0004417200000000, 0.0001242600000000, 0.0002858300000000 ] - [ -0.0016924800000000, 0.0000941700000000, -0.0016888700000000 ] - [ -0.0179821200000000, -0.0389896800000000, -0.0882627800000000 ] - [ -0.0029752300000000, -0.0006229300000000, -0.0005281600000000 ] - [ 0.0011868500000000, -0.0007504300000000, -0.0005555600000000 ] - [ 0.0010969300000000, 0.0007694000000000, 0.0007103200000000 ] - [ -0.0009611300000000, 0.0000000000000000, -0.0000912500000000 ] - [ 0.0001205700000000, -0.0000885800000000, 0.0004272100000000 ] - [ 0.0016174100000000, -0.0008966200000000, 0.0006873800000000 ] - [ -0.0013233600000000, 0.0001623400000000, 0.0002145500000000 ] - [ 0.0010969300000000, -0.0007694000000000, 0.0007103200000000 ] - [ 0.0025733700000000, 0.0000000000000000, 0.0012625100000000 ] - [ -0.0031405500000000, 0.0000000000000000, -0.0010194700000000 ] - [ 0.0016174100000000, 0.0008966200000000, 0.0006873800000000 ] - [ 0.0016704300000000, 0.0000000000000000, 0.0025189700000000 ] - [ -0.0969256300000000, 0.0000000000000000, -0.1292423100000000 ] - [ 0.0011868500000000, 0.0007504300000000, -0.0005555600000000 ] - [ 0.0004684900000000, 0.0004749100000000, 0.0007970400000000 ] - [ -0.0013233600000000, -0.0001623400000000, 0.0002145500000000 ] - [ -0.0179821200000000, 0.0389896800000000, -0.0882627800000000 ] - [ -0.0010739800000000, 0.0000000000000000, 0.0023599700000000 ] - [ 0.0001205700000000, 0.0000885800000000, 0.0004272100000000 ] - [ 0.0004760900000000, -0.0001472700000000, 0.0002036300000000 ] - [ 0.0003113700000000, 0.0000000000000000, -0.0000584500000000 ] - [ 0.0009027500000000, -0.0001864400000000, -0.0000917900000000 ] - [ -0.0015742500000000, 0.0000000000000000, -0.0015384000000000 ] - [ 0.0008655200000000, 0.0000000000000000, 0.0005999600000000 ] - [ -0.0005990300000000, -0.0001495800000000, 0.0000847800000000 ] - [ -0.0001348300000000, 0.0000000000000000, 0.0000908600000000 ] - [ 0.0007306200000000, 0.0007534600000000, 0.0002332600000000 ] - [ -0.0005990300000000, 0.0001495800000000, 0.0000847800000000 ] - [ 0.0007306200000000, -0.0007534600000000, 0.0002332600000000 ] - [ 0.0009473900000000, 0.0000775000000000, 0.0001978400000000 ] - [ 0.0009027500000000, 0.0001864400000000, -0.0000917900000000 ] - [ 0.0013810000000000, 0.0002046200000000, 0.0004371700000000 ] - [ 0.0003933300000000, 0.0000792200000000, -0.0004134600000000 ] - [ 0.0005637400000000, 0.0000000000000000, 0.0001270500000000 ] - [ 0.0013015400000000, -0.0001900800000000, 0.0005440600000000 ] - [ 0.0006621500000000, -0.0000892100000000, 0.0000290500000000 ] - [ -0.0001455200000000, -0.0000591200000000, -0.0000818200000000 ] - [ 0.0003933300000000, -0.0000792200000000, -0.0004134600000000 ] - [ 0.0010360600000000, 0.0000000000000000, 0.0000771200000000 ] - [ 0.0024076100000000, 0.0000000000000000, 0.0000806000000000 ] - [ 0.0006621500000000, 0.0000892100000000, 0.0000290500000000 ] - [ 0.0006903500000000, 0.0000000000000000, -0.0001685000000000 ] - [ 0.0015211500000000, 0.0000000000000000, 0.0003386600000000 ] - [ 0.0013810000000000, -0.0002046200000000, 0.0004371700000000 ] - [ 0.0004760900000000, 0.0001472700000000, 0.0002036300000000 ] - [ -0.0001455200000000, 0.0000591200000000, -0.0000818200000000 ] - [ 0.0009473900000000, -0.0000775000000000, 0.0001978400000000 ] - [ 0.0000705000000000, 0.0000000000000000, -0.0002180900000000 ] - [ 0.0013015400000000, 0.0001900800000000, 0.0005440600000000 ] - [ -0.0004515100000000, 0.0000000000000000, 0.0008564600000000 ] - [ -0.0002703000000000, 0.0000000000000000, 0.0008197800000000 ] - [ 0.0000520900000000, 0.0000000000000000, 0.0003414200000000 ] - [ -0.0001046400000000, 0.0000000000000000, 0.0004634700000000 ] - [ 0.0003913800000000, 0.0000000000000000, 0.0000061700000000 ] - [ 0.0005523900000000, 0.0000000000000000, 0.0001920300000000 ] - [ 0.0001261100000000, 0.0000000000000000, 0.0007306200000000 ] - [ -0.0000415000000000, 0.0000000000000000, -0.0000204300000000 ]- atom: 28 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0109164200000000, 0.0000000000000000, 0.0134309400000000 ] - [ 0.0034520700000000, 0.0000000000000000, 0.0002459800000000 ] - [ 0.0220734100000000, 0.0000000000000000, -0.0017900400000000 ] - [ -0.0083060000000000, 0.0000000000000000, -0.0015506600000000 ] - [ -0.0007930100000000, 0.0000000000000000, 0.0010089800000000 ] - [ 0.0017998300000000, 0.0000000000000000, 0.0002277600000000 ] - [ 0.0026519400000000, 0.0000000000000000, 0.0002797200000000 ] - [ 0.0126632600000000, 0.0000000000000000, -0.0114114900000000 ] - [ 0.0035604100000000, 0.0000000000000000, -0.0005812400000000 ] - [ 0.0025650600000000, 0.0000000000000000, 0.0004848500000000 ] - [ 0.0020223300000000, 0.0000000000000000, 0.0007219600000000 ] - [ -0.0004964400000000, 0.0000000000000000, 0.0033085300000000 ] - [ -0.0060929000000000, 0.0000000000000000, -0.0002934600000000 ] - [ 0.0030612300000000, 0.0000000000000000, -0.0027301300000000 ] - [ -0.0324079800000000, 0.0000000000000000, 0.0004657500000000 ] - [ 0.0034068700000000, 0.0000000000000000, 0.0047878000000000 ] - [ 0.0039836000000000, 0.0000000000000000, 0.0002964200000000 ] - [ 0.0053925400000000, 0.0000000000000000, 0.0034326600000000 ] - [ 0.0045258200000000, 0.0000000000000000, -0.0008287700000000 ] - [ 0.0013394100000000, 0.0000000000000000, -0.0016642900000000 ] - [ -0.0054865300000000, 0.0000000000000000, -0.0024041000000000 ] - [ 0.0043717100000000, 0.0000000000000000, 0.0042346400000000 ] - [ -0.0017404200000000, 0.0000000000000000, -0.0003064700000000 ] - [ -0.0047627500000000, 0.0000000000000000, -0.0018365600000000 ] - [ 0.0033026600000000, 0.0000000000000000, 0.0010392600000000 ] - [ 0.0034377200000000, 0.0000000000000000, 0.0011399700000000 ] - [ -0.0004350100000000, 0.0000000000000000, -0.0002738400000000 ] - [ -0.6435139500000000, 0.0000000000000000, -0.1415132300000000 ] - [ 0.0033680400000000, 0.0000000000000000, 0.0010245200000000 ] - [ -0.0037977200000000, 0.0000000000000000, -0.0017793700000000 ] - [ 0.0029368100000000, 0.0000000000000000, 0.0009515700000000 ] - [ 0.0017303700000000, 0.0000000000000000, 0.0005212800000000 ] - [ 0.0026300900000000, 0.0000000000000000, -0.0001364000000000 ] - [ 0.0020108100000000, 0.0000000000000000, 0.0006367000000000 ] - [ 0.0003442600000000, 0.0000000000000000, 0.0000658300000000 ] - [ 0.0048160700000000, 0.0000000000000000, 0.0014212600000000 ] - [ 0.0033973200000000, 0.0000000000000000, 0.0017561500000000 ] - [ 0.0036225700000000, 0.0000000000000000, 0.0011806900000000 ] - [ 0.0014580600000000, 0.0000000000000000, 0.0005031500000000 ] - [ 0.0042809300000000, 0.0000000000000000, 0.0004717800000000 ] - [ 0.0009494700000000, -0.0015470800000000, 0.0027493200000000 ] - [ 0.0007849200000000, 0.0000000000000000, -0.0003269000000000 ] - [ 0.0016732500000000, 0.0006753900000000, -0.0017281500000000 ] - [ -0.0021504200000000, 0.0000000000000000, 0.0000130100000000 ] - [ -0.0035772900000000, 0.0000000000000000, -0.0011115800000000 ] - [ -0.0021868700000000, 0.0003703600000000, -0.0002684200000000 ] - [ -0.0034256200000000, 0.0000000000000000, 0.0011136500000000 ] - [ -0.0003208300000000, 0.0012160900000000, -0.0062512900000000 ] - [ -0.0021868700000000, -0.0003703600000000, -0.0002684200000000 ] - [ -0.0003208300000000, -0.0012160900000000, -0.0062512900000000 ] - [ 0.0026009100000000, 0.0005234400000000, -0.0000314100000000 ] - [ 0.0016732500000000, -0.0006753900000000, -0.0017281500000000 ] - [ -0.0008761100000000, -0.0010975500000000, -0.0009579000000000 ] - [ -0.0003413300000000, 0.0005570200000000, 0.0005974500000000 ] - [ 0.3273652500000000, 0.0000000000000000, 0.0866491100000000 ] - [ -0.0015966200000000, 0.0010810900000000, -0.0020038400000000 ] - [ 0.0022852300000000, -0.0012602700000000, 0.0020144800000000 ] - [ 0.1586189600000000, -0.1114246900000000, 0.0262205200000000 ] - [ -0.0003413300000000, -0.0005570200000000, 0.0005974500000000 ] - [ 0.0011665400000000, 0.0000000000000000, -0.0009595600000000 ] - [ 0.0022896100000000, 0.0000000000000000, -0.0006163100000000 ] - [ 0.0022852300000000, 0.0012602700000000, 0.0020144800000000 ] - [ 0.0052447700000000, 0.0000000000000000, -0.0003288000000000 ] - [ 0.0036011000000000, 0.0000000000000000, 0.0013457400000000 ] - [ -0.0008761100000000, 0.0010975500000000, -0.0009579000000000 ] - [ 0.0009494700000000, 0.0015470800000000, 0.0027493200000000 ] - [ 0.1586189600000000, 0.1114246900000000, 0.0262205200000000 ] - [ 0.0026009100000000, -0.0005234400000000, -0.0000314100000000 ] - [ 0.0066250100000000, 0.0000000000000000, 0.0030745400000000 ] - [ -0.0015966200000000, -0.0010810900000000, -0.0020038400000000 ] - [ -0.0023763700000000, 0.0004093800000000, -0.0001498400000000 ] - [ -0.0028884400000000, 0.0000000000000000, -0.0009129500000000 ] - [ -0.0015082400000000, 0.0002530800000000, -0.0003691400000000 ] - [ -0.0025242200000000, 0.0000000000000000, -0.0007966500000000 ] - [ -0.0023540600000000, 0.0000000000000000, 0.0007960100000000 ] - [ -0.0028612300000000, 0.0019156300000000, -0.0015752100000000 ] - [ -0.0049698300000000, 0.0000000000000000, -0.0010441600000000 ] - [ -0.0013735800000000, 0.0000221900000000, -0.0002413100000000 ] - [ -0.0028612300000000, -0.0019156300000000, -0.0015752100000000 ] - [ -0.0013735800000000, -0.0000221900000000, -0.0002413100000000 ] - [ -0.0009253100000000, -0.0005988100000000, -0.0004488600000000 ] - [ -0.0015082400000000, -0.0002530800000000, -0.0003691400000000 ] - [ -0.0000518500000000, -0.0001872400000000, 0.0000004900000000 ] - [ -0.0015234900000000, -0.0006530500000000, -0.0014085400000000 ] - [ -0.0022968900000000, 0.0000000000000000, -0.0005245100000000 ] - [ -0.0006242300000000, 0.0002977200000000, 0.0002423800000000 ] - [ -0.0015461700000000, 0.0002872000000000, -0.0006380900000000 ] - [ -0.0023106200000000, 0.0003537100000000, -0.0005483900000000 ] - [ -0.0015234900000000, 0.0006530500000000, -0.0014085400000000 ] - [ -0.0022457200000000, 0.0000000000000000, -0.0002667000000000 ] - [ -0.0013911600000000, 0.0000000000000000, 0.0002859700000000 ] - [ -0.0015461700000000, -0.0002872000000000, -0.0006380900000000 ] - [ -0.0022139400000000, 0.0000000000000000, -0.0008031700000000 ] - [ -0.0014960000000000, 0.0000000000000000, -0.0004427500000000 ] - [ -0.0000518500000000, 0.0001872400000000, 0.0000004900000000 ] - [ -0.0023763700000000, -0.0004093800000000, -0.0001498400000000 ] - [ -0.0023106200000000, -0.0003537100000000, -0.0005483900000000 ] - [ -0.0009253100000000, 0.0005988100000000, -0.0004488600000000 ] - [ -0.0045996500000000, 0.0000000000000000, 0.0001238700000000 ] - [ -0.0006242300000000, -0.0002977200000000, 0.0002423800000000 ] - [ 0.0059383000000000, 0.0000000000000000, 0.0052383600000000 ] - [ 0.0068305800000000, 0.0000000000000000, 0.0029853700000000 ] - [ -0.0023629100000000, 0.0000000000000000, -0.0012234300000000 ] - [ -0.0023363800000000, 0.0000000000000000, 0.0011928400000000 ] - [ -0.0013002400000000, 0.0000000000000000, -0.0000688400000000 ] - [ -0.0008871900000000, 0.0000000000000000, 0.0000813800000000 ] - [ -0.0016747600000000, 0.0000000000000000, 0.0017717200000000 ] - [ -0.0020173700000000, 0.0000000000000000, -0.0001918700000000 ]- atom: 28 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0108722500000000, 0.0000000000000000, -0.0130434400000000 ] - [ -0.0034522000000000, 0.0000000000000000, -0.0002518000000000 ] - [ -0.0222531000000000, 0.0000000000000000, 0.0014721900000000 ] - [ 0.0080292000000000, 0.0000000000000000, 0.0015276300000000 ] - [ 0.0010921900000000, 0.0000000000000000, -0.0010140200000000 ] - [ -0.0017919900000000, 0.0000000000000000, -0.0002240000000000 ] - [ -0.0026976100000000, 0.0000000000000000, 0.0000378900000000 ] - [ -0.0125454800000000, 0.0000000000000000, 0.0113317500000000 ] - [ -0.0035102400000000, 0.0000000000000000, 0.0002587100000000 ] - [ -0.0028512300000000, 0.0000000000000000, -0.0004679700000000 ] - [ -0.0017314800000000, 0.0000000000000000, -0.0007339300000000 ] - [ 0.0004862800000000, 0.0000000000000000, -0.0033076700000000 ] - [ 0.0067609200000000, 0.0000000000000000, -0.0006726900000000 ] - [ -0.0037431400000000, 0.0000000000000000, 0.0037309600000000 ] - [ 0.0319649300000000, 0.0000000000000000, -0.0016048800000000 ] - [ -0.0032921800000000, 0.0000000000000000, -0.0035889900000000 ] - [ -0.0032806200000000, 0.0000000000000000, -0.0012727600000000 ] - [ -0.0060917400000000, 0.0000000000000000, -0.0024422500000000 ] - [ -0.0046249400000000, 0.0000000000000000, -0.0003797300000000 ] - [ -0.0012461300000000, 0.0000000000000000, 0.0028728500000000 ] - [ 0.0055932600000000, 0.0000000000000000, 0.0023978500000000 ] - [ -0.0062120700000000, 0.0000000000000000, -0.0047456700000000 ] - [ 0.0013976600000000, 0.0000000000000000, -0.0002374700000000 ] - [ 0.0037070900000000, 0.0000000000000000, 0.0009398900000000 ] - [ -0.0014490200000000, 0.0000000000000000, -0.0005240100000000 ] - [ -0.0035924300000000, 0.0000000000000000, -0.0011523500000000 ] - [ 0.0014950700000000, 0.0000000000000000, 0.0011748400000000 ] - [ 0.6237958600000000, 0.0000000000000000, 0.1339429100000000 ] - [ -0.0052502800000000, 0.0000000000000000, -0.0016654900000000 ] - [ 0.0042536100000000, 0.0000000000000000, 0.0023193800000000 ] - [ -0.0027911800000000, 0.0000000000000000, -0.0009436600000000 ] - [ -0.0035619200000000, 0.0000000000000000, -0.0010288500000000 ] - [ -0.0030005100000000, 0.0000000000000000, -0.0004052500000000 ] - [ -0.0030809000000000, 0.0000000000000000, -0.0015414500000000 ] - [ 0.0014716200000000, 0.0000000000000000, 0.0004382300000000 ] - [ -0.0049606300000000, 0.0000000000000000, -0.0014372700000000 ] - [ -0.0023499000000000, 0.0000000000000000, -0.0008616000000000 ] - [ -0.0017144000000000, 0.0000000000000000, -0.0005291300000000 ] - [ -0.0033602200000000, 0.0000000000000000, -0.0011518000000000 ] - [ -0.0039071500000000, 0.0000000000000000, 0.0000707100000000 ] - [ -0.0011187600000000, 0.0015677100000000, -0.0024149400000000 ] - [ -0.0018924100000000, 0.0000000000000000, -0.0000710600000000 ] - [ -0.0015329000000000, -0.0006697000000000, 0.0013663500000000 ] - [ 0.0024960600000000, 0.0000000000000000, 0.0000624200000000 ] - [ 0.0037802000000000, 0.0000000000000000, 0.0013271700000000 ] - [ 0.0016931300000000, -0.0004295300000000, 0.0002749200000000 ] - [ 0.0033385900000000, 0.0000000000000000, -0.0005981100000000 ] - [ 0.0003754000000000, -0.0002837800000000, 0.0062500600000000 ] - [ 0.0016931300000000, 0.0004295300000000, 0.0002749200000000 ] - [ 0.0003754000000000, 0.0002837800000000, 0.0062500600000000 ] - [ -0.0019128300000000, -0.0007281000000000, 0.0002503000000000 ] - [ -0.0015329000000000, 0.0006697000000000, 0.0013663500000000 ] - [ 0.0008251800000000, 0.0001658800000000, 0.0009529700000000 ] - [ -0.0003470300000000, -0.0003545700000000, -0.0008185700000000 ] - [ -0.3027922200000000, 0.0000000000000000, -0.0765356100000000 ] - [ 0.0028939400000000, -0.0011973600000000, 0.0025443300000000 ] - [ -0.0017759500000000, 0.0013105200000000, -0.0020052100000000 ] - [ -0.1613416000000000, 0.1170617300000000, -0.0278175300000000 ] - [ -0.0003470300000000, 0.0003545700000000, -0.0008185700000000 ] - [ -0.0015065100000000, 0.0000000000000000, 0.0008854900000000 ] - [ -0.0004144400000000, 0.0000000000000000, 0.0009121900000000 ] - [ -0.0017759500000000, -0.0013105200000000, -0.0020052100000000 ] - [ -0.0051083100000000, 0.0000000000000000, -0.0001975300000000 ] - [ -0.0025053100000000, 0.0000000000000000, -0.0009457900000000 ] - [ 0.0008251800000000, -0.0001658800000000, 0.0009529700000000 ] - [ -0.0011187600000000, -0.0015677100000000, -0.0024149400000000 ] - [ -0.1613416000000000, -0.1170617300000000, -0.0278175300000000 ] - [ -0.0019128300000000, 0.0007281000000000, 0.0002503000000000 ] - [ -0.0085594200000000, 0.0000000000000000, -0.0033339600000000 ] - [ 0.0028939400000000, 0.0011973600000000, 0.0025443300000000 ] - [ 0.0022262100000000, -0.0004023800000000, 0.0004968600000000 ] - [ 0.0017945400000000, 0.0000000000000000, 0.0005186600000000 ] - [ 0.0016545600000000, -0.0002576600000000, 0.0000213100000000 ] - [ 0.0028852300000000, 0.0000000000000000, 0.0008707400000000 ] - [ 0.0025475700000000, 0.0000000000000000, -0.0005741500000000 ] - [ 0.0023763400000000, -0.0019637000000000, 0.0015632300000000 ] - [ 0.0048563700000000, 0.0000000000000000, 0.0015679200000000 ] - [ 0.0014201000000000, 0.0009079700000000, 0.0002464700000000 ] - [ 0.0023763400000000, 0.0019637000000000, 0.0015632300000000 ] - [ 0.0014201000000000, -0.0009079700000000, 0.0002464700000000 ] - [ 0.0016038400000000, 0.0003913200000000, 0.0006642400000000 ] - [ 0.0016545600000000, 0.0002576600000000, 0.0000213100000000 ] - [ 0.0000099300000000, -0.0007407800000000, -0.0000011400000000 ] - [ 0.0008428100000000, 0.0008569700000000, 0.0011879400000000 ] - [ 0.0020911400000000, 0.0000000000000000, 0.0003087900000000 ] - [ 0.0019317200000000, -0.0004031700000000, 0.0002886300000000 ] - [ 0.0020381700000000, -0.0002286800000000, 0.0006322200000000 ] - [ 0.0009979800000000, -0.0002462900000000, 0.0000172200000000 ] - [ 0.0008428100000000, -0.0008569700000000, 0.0011879400000000 ] - [ 0.0018912600000000, 0.0000000000000000, 0.0001890900000000 ] - [ 0.0032859000000000, 0.0000000000000000, 0.0000090400000000 ] - [ 0.0020381700000000, 0.0002286800000000, 0.0006322200000000 ] - [ 0.0023131700000000, 0.0000000000000000, 0.0002766800000000 ] - [ 0.0025859600000000, 0.0000000000000000, 0.0008349300000000 ] - [ 0.0000099300000000, 0.0007407800000000, -0.0000011400000000 ] - [ 0.0022262100000000, 0.0004023800000000, 0.0004968600000000 ] - [ 0.0009979800000000, 0.0002462900000000, 0.0000172200000000 ] - [ 0.0016038400000000, -0.0003913200000000, 0.0006642400000000 ] - [ 0.0027027200000000, 0.0000000000000000, -0.0004162100000000 ] - [ 0.0019317200000000, 0.0004031700000000, 0.0002886300000000 ] - [ -0.0057737000000000, 0.0000000000000000, -0.0055441700000000 ] - [ -0.0063684500000000, 0.0000000000000000, -0.0026414100000000 ] - [ 0.0022536000000000, 0.0000000000000000, 0.0015392500000000 ] - [ 0.0019340400000000, 0.0000000000000000, -0.0015404500000000 ] - [ 0.0014171600000000, 0.0000000000000000, -0.0002353900000000 ] - [ 0.0012949500000000, 0.0000000000000000, 0.0002605300000000 ] - [ 0.0015509400000000, 0.0000000000000000, -0.0014601800000000 ] - [ 0.0016036300000000, 0.0000000000000000, -0.0001558200000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000279500000000, 0.0198406500000000, 0.0000726000000000 ] - [ -0.0000068500000000, -0.0000188600000000, -0.0000009600000000 ] - [ -0.0000111100000000, -0.0109144500000000, -0.0001483900000000 ] - [ -0.0001281900000000, -0.0011957000000000, -0.0000031200000000 ] - [ 0.0001492100000000, -0.0000133000000000, -0.0000067400000000 ] - [ -0.0000014200000000, -0.0000032600000000, -0.0000001000000000 ] - [ -0.0000304100000000, -0.0000001200000000, 0.0001604100000000 ] - [ -0.0000252800000000, -0.0001190500000000, 0.0000230300000000 ] - [ 0.0000175800000000, -0.0000033300000000, -0.0001625000000000 ] - [ -0.0001506800000000, 0.0000020400000000, 0.0000052100000000 ] - [ 0.0001429300000000, 0.0000000100000000, -0.0000060500000000 ] - [ 0.0000000400000000, 0.0000179200000000, -0.0000040200000000 ] - [ 0.0003530500000000, 0.0001467200000000, -0.0004822300000000 ] - [ -0.0003536900000000, 0.0002650600000000, 0.0004933100000000 ] - [ 0.0001999600000000, 0.0471285200000000, -0.0003964500000000 ] - [ 0.0000451700000000, -0.0005051400000000, 0.0005973100000000 ] - [ 0.0003406400000000, 0.0000009700000000, -0.0004860000000000 ] - [ -0.0003566800000000, 0.0001696900000000, 0.0004799400000000 ] - [ -0.0000583100000000, 0.0000022000000000, -0.0006055400000000 ] - [ 0.0000464700000000, 0.0000100200000000, 0.0006140000000000 ] - [ 0.0000756000000000, 0.0001249600000000, 0.0000035400000000 ] - [ -0.0009285300000000, -0.0001158400000000, -0.0002722000000000 ] - [ -0.0001815100000000, 0.0008269200000000, -0.0002713300000000 ] - [ -0.0005179700000000, -0.0000338800000000, -0.0004455300000000 ] - [ 0.0009179200000000, 0.0000092900000000, 0.0002544900000000 ] - [ -0.0000755900000000, 0.0000460400000000, -0.0000052400000000 ] - [ 0.0005294700000000, -0.0001424000000000, 0.0004508400000000 ] - [ 0.0140392300000000, -0.7126788800000000, 0.0041788000000000 ] - [ -0.0009595600000000, 0.0051445200000000, -0.0003260100000000 ] - [ 0.0001679900000000, 0.0064949700000000, 0.0002730300000000 ] - [ 0.0000629700000000, 0.0000238900000000, 0.0000011000000000 ] - [ -0.0009191300000000, 0.0000042100000000, -0.0002545200000000 ] - [ -0.0001960700000000, 0.0000081000000000, -0.0002707100000000 ] - [ -0.0005406000000000, -0.0000049300000000, -0.0004553600000000 ] - [ 0.0009235800000000, 0.0000036000000000, 0.0002573800000000 ] - [ -0.0000750700000000, -0.0021993400000000, -0.0000057800000000 ] - [ 0.0005180900000000, -0.0000028400000000, 0.0004448800000000 ] - [ 0.0009559300000000, 0.0000013500000000, 0.0003265600000000 ] - [ -0.0009607200000000, -0.0000013800000000, -0.0003285000000000 ] - [ 0.0001792100000000, -0.0000192600000000, 0.0002701700000000 ] - [ -0.0003379000000000, -0.0022170700000000, 0.0022796100000000 ] - [ -0.0005520500000000, 0.0000301000000000, -0.0001970800000000 ] - [ 0.0004481500000000, -0.0008149900000000, 0.0005352800000000 ] - [ 0.0001791800000000, 0.0000045800000000, 0.0000380200000000 ] - [ 0.0001098000000000, -0.0012380300000000, 0.0001102400000000 ] - [ -0.0002458600000000, -0.0000546400000000, 0.0000148500000000 ] - [ -0.0000418700000000, -0.0001558100000000, 0.0002593000000000 ] - [ 0.0004558100000000, 0.0001200500000000, -0.0004618800000000 ] - [ -0.0002382900000000, 0.0000080500000000, -0.0000064100000000 ] - [ -0.0004110600000000, -0.0007807700000000, 0.0004793900000000 ] - [ 0.0003281600000000, -0.0000920200000000, 0.0000957900000000 ] - [ -0.0003109200000000, -0.0008064800000000, -0.0008810400000000 ] - [ -0.0000268500000000, -0.0004579800000000, 0.0000096000000000 ] - [ -0.0003708600000000, 0.0001491700000000, -0.0000667400000000 ] - [ -0.0008654100000000, 0.0887864100000000, -0.0003605600000000 ] - [ 0.0028534200000000, -0.0021880200000000, 0.0022129000000000 ] - [ 0.0002381800000000, 0.0000084800000000, -0.0000051300000000 ] - [ -0.1224889400000000, 0.2992746600000000, -0.0382098700000000 ] - [ -0.0003097000000000, -0.0000547300000000, -0.0001516000000000 ] - [ -0.0001765300000000, 0.0000018100000000, -0.0000364500000000 ] - [ 0.0009412900000000, -0.0000370500000000, 0.0001477000000000 ] - [ 0.0002482900000000, -0.0000603700000000, -0.0000054000000000 ] - [ 0.0000471000000000, 0.0000509600000000, -0.0002603800000000 ] - [ 0.0005396500000000, 0.0000147300000000, 0.0001931400000000 ] - [ -0.0000158400000000, 0.0004715400000000, -0.0000118300000000 ] - [ 0.0002000300000000, -0.0022139100000000, -0.0019395100000000 ] - [ 0.1087021400000000, 0.2784659700000000, 0.0339553500000000 ] - [ 0.0003441500000000, 0.0001165800000000, 0.0001199600000000 ] - [ -0.0009395600000000, -0.0071237100000000, -0.0001644500000000 ] - [ -0.0015328900000000, -0.0020698600000000, -0.0016730500000000 ] - [ -0.0000807100000000, 0.0000066700000000, 0.0001752200000000 ] - [ -0.0005431000000000, 0.0000010600000000, -0.0001951300000000 ] - [ 0.0000753300000000, -0.0000026300000000, -0.0001739400000000 ] - [ 0.0001795500000000, 0.0001562800000000, 0.0000389000000000 ] - [ 0.0001101800000000, 0.0000057600000000, 0.0001063600000000 ] - [ -0.0020536700000000, 0.0009980100000000, -0.0001668000000000 ] - [ -0.0000435100000000, 0.0006262300000000, 0.0002629500000000 ] - [ 0.0000243800000000, 0.0004661400000000, 0.0000045500000000 ] - [ 0.0015610100000000, 0.0010811400000000, 0.0001786900000000 ] - [ 0.0000255400000000, -0.0004661800000000, 0.0000021900000000 ] - [ 0.0003423200000000, -0.0001024700000000, 0.0001079100000000 ] - [ 0.0000743900000000, 0.0000030500000000, -0.0001730600000000 ] - [ -0.0000212500000000, -0.0004655800000000, 0.0000015000000000 ] - [ -0.0003344400000000, 0.0001039500000000, -0.0001104700000000 ] - [ -0.0000995800000000, -0.0000004100000000, -0.0001070200000000 ] - [ 0.0006569400000000, -0.0000521200000000, 0.0002654700000000 ] - [ 0.0002722300000000, 0.0000242400000000, -0.0000029200000000 ] - [ -0.0006541300000000, 0.0000534800000000, -0.0002663600000000 ] - [ -0.0003409800000000, -0.0001040300000000, -0.0001009500000000 ] - [ -0.0001706400000000, -0.0000010600000000, -0.0000377900000000 ] - [ 0.0009514900000000, 0.0000007400000000, 0.0001469200000000 ] - [ 0.0002259300000000, -0.0000368100000000, -0.0000018200000000 ] - [ 0.0000553800000000, -0.0000065600000000, -0.0002611500000000 ] - [ 0.0005496900000000, 0.0000000200000000, 0.0001967700000000 ] - [ -0.0000214900000000, 0.0004652100000000, -0.0000032200000000 ] - [ -0.0000567100000000, 0.0000027400000000, 0.0001725000000000 ] - [ -0.0006550200000000, -0.0000563400000000, -0.0002659100000000 ] - [ 0.0003426700000000, 0.0001025800000000, 0.0001085100000000 ] - [ -0.0009429600000000, 0.0000034700000000, -0.0001467300000000 ] - [ 0.0006597100000000, 0.0000572800000000, 0.0002673500000000 ] - [ 0.0000281700000000, -0.0052016900000000, -0.0001497100000000 ] - [ 0.0001986900000000, 0.0025056600000000, 0.0001593900000000 ] - [ -0.0000545700000000, -0.0002037500000000, 0.0001560300000000 ] - [ -0.0002012700000000, 0.0006186100000000, -0.0001734100000000 ] - [ 0.0000610400000000, 0.0000003700000000, -0.0001533300000000 ] - [ 0.0002071700000000, 0.0000007100000000, 0.0001710300000000 ] - [ -0.0000570800000000, 0.0000092500000000, 0.0001495600000000 ] - [ -0.0002012500000000, -0.0000303200000000, -0.0001711300000000 ]- atom: 28 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0001620700000000, 0.0000000000000000, 0.0063765700000000 ] - [ 0.0008624500000000, 0.0000000000000000, 0.0000024100000000 ] - [ 0.0021884300000000, 0.0000000000000000, -0.0022383300000000 ] - [ -0.0025982400000000, 0.0000000000000000, 0.0023344400000000 ] - [ 0.0000368600000000, 0.0000000000000000, 0.0005125000000000 ] - [ 0.0004062800000000, 0.0000000000000000, 0.0001193600000000 ] - [ 0.0006077300000000, 0.0000000000000000, 0.0001498800000000 ] - [ 0.0005695100000000, 0.0000000000000000, -0.0044416400000000 ] - [ 0.0009155400000000, 0.0000000000000000, -0.0003447600000000 ] - [ 0.0005063700000000, 0.0000000000000000, 0.0001554600000000 ] - [ 0.0005256600000000, 0.0000000000000000, 0.0002396100000000 ] - [ -0.0001333500000000, 0.0000000000000000, 0.0011717900000000 ] - [ -0.0017823600000000, 0.0000000000000000, 0.0028884200000000 ] - [ 0.0001056400000000, 0.0000000000000000, -0.0003814000000000 ] - [ -0.0028416000000000, 0.0000000000000000, -0.0010863400000000 ] - [ 0.0010381400000000, 0.0000000000000000, 0.0015711400000000 ] - [ 0.0012156000000000, 0.0000000000000000, -0.0002761500000000 ] - [ 0.0011877200000000, 0.0000000000000000, 0.0013141200000000 ] - [ 0.0010265000000000, 0.0000000000000000, -0.0006938500000000 ] - [ -0.0001301700000000, 0.0000000000000000, -0.0001390800000000 ] - [ -0.0016319800000000, 0.0000000000000000, -0.0004598500000000 ] - [ 0.0007060600000000, 0.0000000000000000, 0.0008219500000000 ] - [ -0.0000108900000000, 0.0000000000000000, 0.0000570300000000 ] - [ -0.0009968800000000, 0.0000000000000000, -0.0005588500000000 ] - [ 0.0015512400000000, 0.0000000000000000, 0.0004668100000000 ] - [ 0.0006969700000000, 0.0000000000000000, 0.0002332400000000 ] - [ 0.0002207200000000, 0.0000000000000000, 0.0002444800000000 ] - [ -0.0843920700000000, 0.0000000000000000, -0.2692666800000000 ] - [ 0.0000444100000000, 0.0000000000000000, 0.0000801400000000 ] - [ -0.0003335300000000, 0.0000000000000000, -0.0003589800000000 ] - [ 0.0007754100000000, 0.0000000000000000, 0.0002352600000000 ] - [ -0.0003378700000000, 0.0000000000000000, -0.0000890000000000 ] - [ 0.0004073700000000, 0.0000000000000000, -0.0002437600000000 ] - [ 0.0000840800000000, 0.0000000000000000, -0.0001851300000000 ] - [ 0.0004718400000000, 0.0000000000000000, 0.0001134000000000 ] - [ 0.0012510300000000, 0.0000000000000000, 0.0001967700000000 ] - [ 0.0012682800000000, 0.0000000000000000, 0.0007947100000000 ] - [ 0.0015801900000000, 0.0000000000000000, 0.0005242700000000 ] - [ -0.0003170400000000, 0.0000000000000000, -0.0000555800000000 ] - [ 0.0011998500000000, 0.0000000000000000, 0.0003215800000000 ] - [ 0.0006946400000000, -0.0002006500000000, 0.0007547100000000 ] - [ -0.0000499300000000, 0.0000000000000000, -0.0003840300000000 ] - [ 0.0001061300000000, -0.0000604000000000, -0.0006337300000000 ] - [ -0.0003133000000000, 0.0000000000000000, 0.0000034000000000 ] - [ -0.0008056100000000, 0.0000000000000000, -0.0002277700000000 ] - [ -0.0006631600000000, 0.0000515700000000, -0.0000230600000000 ] - [ -0.0007926300000000, 0.0000000000000000, 0.0005244900000000 ] - [ -0.0005225400000000, 0.0005515500000000, -0.0012081400000000 ] - [ -0.0006631600000000, -0.0000515700000000, -0.0000230600000000 ] - [ -0.0005225400000000, -0.0005515500000000, -0.0012081400000000 ] - [ 0.0006622900000000, -0.0001815000000000, -0.0004389500000000 ] - [ 0.0001061300000000, 0.0000604000000000, -0.0006337300000000 ] - [ -0.0002619000000000, -0.0006323000000000, -0.0002665300000000 ] - [ -0.0003106900000000, 0.0002229000000000, 0.0000079300000000 ] - [ 0.0566382300000000, 0.0000000000000000, 0.0981199200000000 ] - [ 0.0001632900000000, 0.0002963500000000, -0.0000929800000000 ] - [ 0.0011893900000000, -0.0002313000000000, 0.0005101700000000 ] - [ 0.0125288500000000, -0.0269003600000000, 0.0836569400000000 ] - [ -0.0003106900000000, -0.0002229000000000, 0.0000079300000000 ] - [ 0.0005733300000000, 0.0000000000000000, -0.0004565700000000 ] - [ 0.0009216200000000, 0.0000000000000000, -0.0000636700000000 ] - [ 0.0011893900000000, 0.0002313000000000, 0.0005101700000000 ] - [ 0.0012827800000000, 0.0000000000000000, -0.0003547500000000 ] - [ 0.0009707600000000, 0.0000000000000000, 0.0001810900000000 ] - [ -0.0002619000000000, 0.0006323000000000, -0.0002665300000000 ] - [ 0.0006946400000000, 0.0002006500000000, 0.0007547100000000 ] - [ 0.0125288500000000, 0.0269003600000000, 0.0836569400000000 ] - [ 0.0006622900000000, 0.0001815000000000, -0.0004389500000000 ] - [ 0.0008001500000000, 0.0000000000000000, 0.0023626600000000 ] - [ 0.0001632900000000, -0.0002963500000000, -0.0000929800000000 ] - [ -0.0006596300000000, 0.0001022900000000, 0.0000915800000000 ] - [ -0.0011391800000000, 0.0000000000000000, -0.0004046700000000 ] - [ -0.0002730300000000, 0.0000408200000000, -0.0002179300000000 ] - [ -0.0008273300000000, 0.0000000000000000, -0.0003845200000000 ] - [ -0.0006604900000000, 0.0000000000000000, 0.0004499400000000 ] - [ -0.0010283700000000, 0.0005601400000000, -0.0005664300000000 ] - [ -0.0014788700000000, 0.0000000000000000, -0.0000645100000000 ] - [ -0.0002923400000000, 0.0003734400000000, -0.0000533700000000 ] - [ -0.0010283700000000, -0.0005601400000000, -0.0005664300000000 ] - [ -0.0002923400000000, -0.0003734400000000, -0.0000533700000000 ] - [ 0.0000394900000000, -0.0002241400000000, -0.0000411300000000 ] - [ -0.0002730300000000, -0.0000408200000000, -0.0002179300000000 ] - [ 0.0001013800000000, -0.0003340500000000, -0.0000068800000000 ] - [ -0.0006370500000000, -0.0001013900000000, -0.0004918500000000 ] - [ -0.0006277100000000, 0.0000000000000000, -0.0001988100000000 ] - [ 0.0003724400000000, 0.0000626900000000, 0.0002823900000000 ] - [ -0.0002042700000000, 0.0000883800000000, -0.0001535300000000 ] - [ -0.0010531400000000, 0.0001229000000000, -0.0003200600000000 ] - [ -0.0006370500000000, 0.0001013900000000, -0.0004918500000000 ] - [ -0.0007079400000000, 0.0000000000000000, -0.0001205700000000 ] - [ 0.0004916400000000, 0.0000000000000000, 0.0001562200000000 ] - [ -0.0002042700000000, -0.0000883800000000, -0.0001535300000000 ] - [ -0.0005049100000000, 0.0000000000000000, -0.0003982000000000 ] - [ 0.0000672100000000, 0.0000000000000000, 0.0000253800000000 ] - [ 0.0001013800000000, 0.0003340500000000, -0.0000068800000000 ] - [ -0.0006596300000000, -0.0001022900000000, 0.0000915800000000 ] - [ -0.0010531400000000, -0.0001229000000000, -0.0003200600000000 ] - [ 0.0000394900000000, 0.0002241400000000, -0.0000411300000000 ] - [ -0.0018475000000000, 0.0000000000000000, -0.0000836300000000 ] - [ 0.0003724400000000, -0.0000626900000000, 0.0002823900000000 ] - [ 0.0015072700000000, 0.0000000000000000, 0.0024455300000000 ] - [ 0.0033393600000000, 0.0000000000000000, -0.0036163100000000 ] - [ -0.0006133100000000, 0.0000000000000000, -0.0001340200000000 ] - [ -0.0008315200000000, 0.0000000000000000, 0.0003137200000000 ] - [ -0.0002703900000000, 0.0000000000000000, -0.0001038000000000 ] - [ -0.0000590300000000, 0.0000000000000000, 0.0001613600000000 ] - [ -0.0004097900000000, 0.0000000000000000, 0.0006977800000000 ] - [ -0.0006624600000000, 0.0000000000000000, -0.0001299000000000 ]- atom: 28 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0002687200000000, 0.0000000000000000, -0.0060115500000000 ] - [ -0.0008580500000000, 0.0000000000000000, 0.0000047600000000 ] - [ -0.0020675000000000, 0.0000000000000000, 0.0019186100000000 ] - [ 0.0022866700000000, 0.0000000000000000, -0.0023282800000000 ] - [ 0.0002396400000000, 0.0000000000000000, -0.0005315000000000 ] - [ -0.0004043500000000, 0.0000000000000000, -0.0001235100000000 ] - [ -0.0006642300000000, 0.0000000000000000, 0.0001770100000000 ] - [ -0.0005504600000000, 0.0000000000000000, 0.0045139300000000 ] - [ -0.0008594500000000, 0.0000000000000000, 0.0000248800000000 ] - [ -0.0007994100000000, 0.0000000000000000, -0.0001493900000000 ] - [ -0.0002238900000000, 0.0000000000000000, -0.0002490900000000 ] - [ 0.0001443400000000, 0.0000000000000000, -0.0011837900000000 ] - [ 0.0025064700000000, 0.0000000000000000, -0.0039510200000000 ] - [ -0.0007856800000000, 0.0000000000000000, 0.0013349000000000 ] - [ 0.0027187400000000, 0.0000000000000000, -0.0003083800000000 ] - [ -0.0009442000000000, 0.0000000000000000, -0.0003440000000000 ] - [ -0.0005221700000000, 0.0000000000000000, -0.0006942400000000 ] - [ -0.0018902400000000, 0.0000000000000000, -0.0003633400000000 ] - [ -0.0011309600000000, 0.0000000000000000, -0.0005147000000000 ] - [ 0.0002578600000000, 0.0000000000000000, 0.0013700500000000 ] - [ 0.0018153000000000, 0.0000000000000000, 0.0004822800000000 ] - [ -0.0025241600000000, 0.0000000000000000, -0.0013204900000000 ] - [ -0.0004138100000000, 0.0000000000000000, -0.0006014400000000 ] - [ -0.0000736400000000, 0.0000000000000000, -0.0003455000000000 ] - [ 0.0002924200000000, 0.0000000000000000, 0.0000425100000000 ] - [ -0.0008410100000000, 0.0000000000000000, -0.0002409500000000 ] - [ 0.0007967200000000, 0.0000000000000000, 0.0006355900000000 ] - [ 0.0841449500000000, 0.0000000000000000, 0.2691849400000000 ] - [ -0.0019262600000000, 0.0000000000000000, -0.0007208300000000 ] - [ 0.0006753700000000, 0.0000000000000000, 0.0008877300000000 ] - [ -0.0006243600000000, 0.0000000000000000, -0.0002248900000000 ] - [ -0.0014975900000000, 0.0000000000000000, -0.0004189700000000 ] - [ -0.0007829700000000, 0.0000000000000000, -0.0002970600000000 ] - [ -0.0011334200000000, 0.0000000000000000, -0.0007106900000000 ] - [ 0.0013765100000000, 0.0000000000000000, 0.0003992000000000 ] - [ -0.0014195200000000, 0.0000000000000000, -0.0002120500000000 ] - [ -0.0002181700000000, 0.0000000000000000, 0.0001001600000000 ] - [ 0.0003232600000000, 0.0000000000000000, 0.0001264400000000 ] - [ -0.0015749900000000, 0.0000000000000000, -0.0005905200000000 ] - [ -0.0008288100000000, 0.0000000000000000, 0.0002199500000000 ] - [ -0.0008299900000000, 0.0002027000000000, -0.0003944500000000 ] - [ -0.0010321300000000, 0.0000000000000000, -0.0000001300000000 ] - [ 0.0000565200000000, 0.0000516100000000, 0.0002988600000000 ] - [ 0.0006588700000000, 0.0000000000000000, 0.0000761600000000 ] - [ 0.0010342300000000, 0.0000000000000000, 0.0004518000000000 ] - [ 0.0001697900000000, -0.0001153000000000, 0.0000306900000000 ] - [ 0.0006878700000000, 0.0000000000000000, 0.0000076900000000 ] - [ 0.0005567700000000, 0.0003940600000000, 0.0012166500000000 ] - [ 0.0001697900000000, 0.0001153000000000, 0.0000306900000000 ] - [ 0.0005567700000000, -0.0003940600000000, 0.0012166500000000 ] - [ 0.0000179300000000, -0.0000177900000000, 0.0006669100000000 ] - [ 0.0000565200000000, -0.0000516100000000, 0.0002988600000000 ] - [ 0.0002237100000000, -0.0002992600000000, 0.0002595500000000 ] - [ -0.0003626900000000, -0.0000118800000000, -0.0002163900000000 ] - [ -0.0557070400000000, 0.0000000000000000, -0.0989991800000000 ] - [ 0.0011654400000000, -0.0004115100000000, 0.0006097500000000 ] - [ -0.0007183900000000, 0.0002988200000000, -0.0005234900000000 ] - [ -0.0133583800000000, 0.0258798100000000, -0.0835005000000000 ] - [ -0.0003626900000000, 0.0000118800000000, -0.0002163900000000 ] - [ -0.0009395200000000, 0.0000000000000000, 0.0003857900000000 ] - [ 0.0010113200000000, 0.0000000000000000, 0.0003557700000000 ] - [ -0.0007183900000000, -0.0002988200000000, -0.0005234900000000 ] - [ -0.0012048900000000, 0.0000000000000000, -0.0001671900000000 ] - [ 0.0001290100000000, 0.0000000000000000, 0.0002145800000000 ] - [ 0.0002237100000000, 0.0002992600000000, 0.0002595500000000 ] - [ -0.0008299900000000, -0.0002027000000000, -0.0003944500000000 ] - [ -0.0133583800000000, -0.0258798100000000, -0.0835005000000000 ] - [ 0.0000179300000000, 0.0000177900000000, 0.0006669100000000 ] - [ -0.0026988700000000, 0.0000000000000000, -0.0026435100000000 ] - [ 0.0011654400000000, 0.0004115100000000, 0.0006097500000000 ] - [ 0.0005166100000000, -0.0000935800000000, 0.0002552900000000 ] - [ 0.0000493500000000, 0.0000000000000000, 0.0000162400000000 ] - [ 0.0004130600000000, -0.0000462600000000, -0.0001292700000000 ] - [ 0.0011632000000000, 0.0000000000000000, 0.0004670200000000 ] - [ 0.0008862300000000, 0.0000000000000000, -0.0002306700000000 ] - [ 0.0005651300000000, -0.0006340900000000, 0.0005813300000000 ] - [ 0.0014002800000000, 0.0000000000000000, 0.0005943500000000 ] - [ 0.0003364400000000, 0.0005597500000000, 0.0000618100000000 ] - [ 0.0005651300000000, 0.0006340900000000, 0.0005813300000000 ] - [ 0.0003364400000000, -0.0005597500000000, 0.0000618100000000 ] - [ 0.0006371100000000, 0.0000155600000000, 0.0002559900000000 ] - [ 0.0004130600000000, 0.0000462600000000, -0.0001292700000000 ] - [ -0.0001514800000000, -0.0006026600000000, -0.0000004600000000 ] - [ -0.0000385400000000, 0.0003122400000000, 0.0002833900000000 ] - [ 0.0004003600000000, 0.0000000000000000, -0.0000245600000000 ] - [ 0.0009455800000000, -0.0001755100000000, 0.0002487900000000 ] - [ 0.0006948400000000, -0.0000224100000000, 0.0001442100000000 ] - [ -0.0002696200000000, -0.0000083200000000, -0.0002151600000000 ] - [ -0.0000385400000000, -0.0003122400000000, 0.0002833900000000 ] - [ 0.0003677900000000, 0.0000000000000000, 0.0000446200000000 ] - [ 0.0014032200000000, 0.0000000000000000, 0.0001428200000000 ] - [ 0.0006948400000000, 0.0000224100000000, 0.0001442100000000 ] - [ 0.0006007300000000, 0.0000000000000000, -0.0001261900000000 ] - [ 0.0010231900000000, 0.0000000000000000, 0.0003659500000000 ] - [ -0.0001514800000000, 0.0006026600000000, -0.0000004600000000 ] - [ 0.0005166100000000, 0.0000935800000000, 0.0002552900000000 ] - [ -0.0002696200000000, 0.0000083200000000, -0.0002151600000000 ] - [ 0.0006371100000000, -0.0000155600000000, 0.0002559900000000 ] - [ -0.0000501300000000, 0.0000000000000000, -0.0002116300000000 ] - [ 0.0009455800000000, 0.0001755100000000, 0.0002487900000000 ] - [ -0.0013911300000000, 0.0000000000000000, -0.0028031100000000 ] - [ -0.0030094400000000, 0.0000000000000000, 0.0040975000000000 ] - [ 0.0005020700000000, 0.0000000000000000, 0.0004249500000000 ] - [ 0.0004221100000000, 0.0000000000000000, -0.0006483400000000 ] - [ 0.0003737000000000, 0.0000000000000000, -0.0002013200000000 ] - [ 0.0004549400000000, 0.0000000000000000, 0.0001779500000000 ] - [ 0.0003066900000000, 0.0000000000000000, -0.0004049800000000 ] - [ 0.0002680800000000, 0.0000000000000000, -0.0002160900000000 ]- atom: 41 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0024826400000000, 0.0000242700000000, 0.0023592600000000 ] - [ -0.0011834400000000, 0.0000609400000000, -0.0026128300000000 ] - [ 0.0077785000000000, 0.0009329100000000, -0.0008991300000000 ] - [ 0.0107283800000000, 0.0030479200000000, -0.0027323800000000 ] - [ 0.0040837500000000, -0.0002186300000000, 0.0016765900000000 ] - [ -0.0014586600000000, 0.0000698100000000, 0.0018121400000000 ] - [ -0.0017443300000000, -0.0000001500000000, -0.0005703800000000 ] - [ -0.0015412000000000, -0.0000040300000000, 0.0011489400000000 ] - [ -0.0022601300000000, -0.0000001000000000, -0.0001680500000000 ] - [ -0.0025910800000000, 0.0000000300000000, 0.0002216800000000 ] - [ -0.0017245800000000, -0.0000007100000000, -0.0003116200000000 ] - [ -0.0019481600000000, -0.0000367400000000, -0.0017445700000000 ] - [ 0.0016128900000000, 0.0000685300000000, -0.0021241000000000 ] - [ 0.0049148200000000, 0.0009525400000000, 0.0027261400000000 ] - [ -0.0118131100000000, -0.0006097100000000, 0.0079115700000000 ] - [ 0.0017679300000000, -0.0000179200000000, -0.0003085300000000 ] - [ -0.0014892700000000, 0.0000041600000000, -0.0005175100000000 ] - [ -0.0045393900000000, -0.0000084700000000, 0.0004558900000000 ] - [ -0.0047496600000000, -0.0000498200000000, -0.0013702900000000 ] - [ -0.0020673000000000, 0.0000008200000000, 0.0003968100000000 ] - [ -0.0002122300000000, -0.0000065600000000, 0.0000568300000000 ] - [ -0.0050736600000000, 0.0006310800000000, -0.0016236200000000 ] - [ 0.0036784300000000, 0.0000003900000000, -0.0000598200000000 ] - [ -0.0006868200000000, -0.0004444900000000, -0.0009925800000000 ] - [ 0.0011924100000000, -0.0000795500000000, 0.0004443700000000 ] - [ -0.0033039300000000, -0.0017032500000000, -0.0013140200000000 ] - [ 0.0081110500000000, 0.0031561800000000, 0.0041308800000000 ] - [ 0.0020144800000000, -0.0002552100000000, 0.0011871100000000 ] - [ 0.0006379100000000, 0.0003812200000000, -0.0001719100000000 ] - [ 0.1621611700000000, -0.1108246600000000, 0.0009521400000000 ] - [ -0.0008887900000000, 0.0000027300000000, -0.0003361100000000 ] - [ -0.0053298900000000, -0.0000741900000000, -0.0019317100000000 ] - [ -0.0024161000000000, 0.0000052500000000, -0.0003835400000000 ] - [ -0.0022710900000000, -0.0000056800000000, -0.0011423600000000 ] - [ -0.0007611700000000, 0.0000058400000000, -0.0002873100000000 ] - [ -0.0028635800000000, 0.0000453000000000, -0.0008695700000000 ] - [ -0.0018085400000000, 0.0000079300000000, -0.0005797000000000 ] - [ -0.0013334900000000, -0.0000118500000000, -0.0004482000000000 ] - [ -0.0025262000000000, 0.0000011900000000, -0.0008011800000000 ] - [ -0.0030979700000000, -0.0000111700000000, 0.0001300200000000 ] - [ -0.2245995100000000, 0.1649296200000000, -0.0092085400000000 ] - [ -0.0072246300000000, -0.0005189300000000, -0.0016905600000000 ] - [ -0.0018316300000000, 0.0004597500000000, -0.0003770300000000 ] - [ 0.0056288000000000, -0.0003067500000000, -0.0016893800000000 ] - [ -0.0010972800000000, -0.0000510700000000, 0.0001175200000000 ] - [ 0.0033696100000000, 0.0006697400000000, 0.0022167000000000 ] - [ 0.0041881600000000, -0.0011677400000000, 0.0025976200000000 ] - [ 0.0022733300000000, 0.0015255200000000, 0.0011322900000000 ] - [ 0.0021723800000000, 0.0006231600000000, 0.0009283400000000 ] - [ 0.0029447400000000, -0.0023301000000000, 0.0013389700000000 ] - [ 0.0004903800000000, 0.0000783800000000, 0.0011136100000000 ] - [ -0.0018436800000000, -0.0004587200000000, -0.0003729500000000 ] - [ -0.0003410200000000, -0.0004050100000000, -0.0004411600000000 ] - [ -0.0004947200000000, -0.0039206000000000, -0.0059348900000000 ] - [ -0.0005910000000000, 0.0000599700000000, -0.0013921100000000 ] - [ -0.0006764300000000, -0.0004454600000000, 0.0009970000000000 ] - [ 0.0005853500000000, 0.0001153200000000, -0.0001044700000000 ] - [ -0.0023763800000000, -0.0003324300000000, -0.0025621500000000 ] - [ -0.0026176300000000, 0.0015333300000000, -0.0031947800000000 ] - [ 0.0008621600000000, -0.0000056300000000, 0.0007412200000000 ] - [ -0.0020578100000000, 0.0000058600000000, 0.0000454100000000 ] - [ 0.0005876800000000, -0.0001136800000000, -0.0001043900000000 ] - [ 0.0000199400000000, 0.0000037300000000, 0.0000260900000000 ] - [ -0.0017486300000000, 0.0001198900000000, 0.0027612400000000 ] - [ -0.0003919900000000, 0.0004769900000000, -0.0003674900000000 ] - [ -0.0319397700000000, 0.0029623700000000, -0.0001643400000000 ] - [ -0.0020170800000000, 0.0002390800000000, -0.0025812500000000 ] - [ 0.0006072000000000, 0.0005324400000000, 0.0016818300000000 ] - [ 0.0719959000000000, -0.0611330600000000, 0.0003474600000000 ] - [ -0.0007455900000000, -0.0001807300000000, 0.0004161700000000 ] - [ 0.0016966000000000, -0.0003405100000000, 0.0003047700000000 ] - [ 0.0014364400000000, -0.0000009300000000, 0.0002754500000000 ] - [ 0.0012347600000000, -0.0002611200000000, 0.0000053900000000 ] - [ 0.0042447300000000, -0.0001621900000000, 0.0009017700000000 ] - [ 0.0013452800000000, -0.0000000600000000, 0.0003661000000000 ] - [ 0.0019097700000000, 0.0000075200000000, 0.0001106500000000 ] - [ 0.0021052900000000, -0.0000120600000000, 0.0007359800000000 ] - [ 0.0018744100000000, 0.0014001000000000, 0.0003039200000000 ] - [ 0.0018183900000000, 0.0000074900000000, 0.0000758400000000 ] - [ 0.0019241600000000, -0.0014523900000000, 0.0004309200000000 ] - [ 0.0012584300000000, 0.0001616400000000, 0.0001368100000000 ] - [ 0.0012341900000000, 0.0002611400000000, 0.0000064500000000 ] - [ 0.0008751300000000, -0.0001921400000000, 0.0004023900000000 ] - [ 0.0008695300000000, 0.0005789500000000, 0.0004156200000000 ] - [ 0.0016930800000000, -0.0000062900000000, 0.0005668500000000 ] - [ 0.0016196100000000, -0.0002349000000000, 0.0004766000000000 ] - [ 0.0005710200000000, -0.0002106900000000, 0.0003788500000000 ] - [ 0.0007363500000000, -0.0002305100000000, 0.0001812500000000 ] - [ 0.0008759900000000, -0.0005832100000000, 0.0004145900000000 ] - [ 0.0000038300000000, 0.0000083400000000, -0.0006649000000000 ] - [ 0.0028707500000000, 0.0000001100000000, 0.0000915800000000 ] - [ 0.0005675500000000, 0.0002047500000000, 0.0003770200000000 ] - [ 0.0008284300000000, -0.0000010000000000, -0.0001329800000000 ] - [ 0.0020416300000000, 0.0000017800000000, 0.0004301900000000 ] - [ 0.0008786800000000, 0.0001930000000000, 0.0004039300000000 ] - [ 0.0016968600000000, 0.0003393700000000, 0.0003033200000000 ] - [ 0.0007279400000000, 0.0002371000000000, 0.0001728300000000 ] - [ 0.0012463500000000, -0.0001608500000000, 0.0001406900000000 ] - [ 0.0021027400000000, -0.0000032200000000, -0.0004610000000000 ] - [ 0.0016196000000000, 0.0002343100000000, 0.0004762100000000 ] - [ 0.0005977100000000, -0.0000501100000000, -0.0024748300000000 ] - [ -0.0000879600000000, 0.0000008000000000, -0.0004349500000000 ] - [ -0.0005208200000000, 0.0000380100000000, 0.0014270300000000 ] - [ 0.0003923200000000, 0.0022072800000000, 0.0056691300000000 ] - [ 0.0008557400000000, 0.0000185600000000, 0.0005938100000000 ] - [ 0.0007963400000000, 0.0000004800000000, 0.0005337200000000 ] - [ 0.0007360800000000, -0.0000002200000000, -0.0000954400000000 ] - [ 0.0007117000000000, 0.0000002700000000, -0.0004309300000000 ]- atom: 41 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0025168500000000, -0.0000260600000000, -0.0020521600000000 ] - [ 0.0011767400000000, -0.0000623700000000, 0.0026366300000000 ] - [ -0.0078191500000000, -0.0009528600000000, 0.0005297200000000 ] - [ -0.0108122200000000, -0.0029138100000000, 0.0029788600000000 ] - [ -0.0038292100000000, 0.0002197900000000, -0.0016913900000000 ] - [ 0.0014641800000000, -0.0000710300000000, -0.0018323700000000 ] - [ 0.0017128800000000, -0.0000008400000000, 0.0008977500000000 ] - [ 0.0015509600000000, 0.0000033300000000, -0.0011488200000000 ] - [ 0.0023098600000000, 0.0000004100000000, -0.0001489100000000 ] - [ 0.0023228800000000, 0.0000004000000000, -0.0002140000000000 ] - [ 0.0020216900000000, -0.0000001400000000, 0.0002989300000000 ] - [ 0.0019620500000000, 0.0000347700000000, 0.0017447100000000 ] - [ -0.0009052300000000, -0.0000613800000000, 0.0011756700000000 ] - [ -0.0064438200000000, -0.0013352300000000, -0.0016939600000000 ] - [ 0.0117338900000000, 0.0005905300000000, -0.0091104900000000 ] - [ -0.0017064300000000, 0.0000182500000000, 0.0015141100000000 ] - [ 0.0021953300000000, 0.0000008600000000, -0.0004535700000000 ] - [ 0.0038554000000000, 0.0000045400000000, 0.0005044500000000 ] - [ 0.0046912700000000, 0.0000521300000000, 0.0001782800000000 ] - [ 0.0021629000000000, 0.0000005900000000, 0.0008282200000000 ] - [ 0.0003642800000000, 0.0000010700000000, -0.0000447400000000 ] - [ 0.0032574900000000, -0.0006185400000000, 0.0011195300000000 ] - [ -0.0040630100000000, 0.0000015900000000, -0.0004830500000000 ] - [ -0.0003459100000000, 0.0004416000000000, 0.0001019100000000 ] - [ 0.0006411900000000, 0.0000876200000000, 0.0000636700000000 ] - [ 0.0031499400000000, 0.0017208300000000, 0.0013042900000000 ] - [ -0.0071632700000000, -0.0031831600000000, -0.0032610100000000 ] - [ -0.0000643400000000, 0.0002723300000000, -0.0005242200000000 ] - [ -0.0025638900000000, -0.0003850000000000, -0.0004824300000000 ] - [ -0.1594560500000000, 0.1040403800000000, -0.0003634300000000 ] - [ 0.0010306300000000, -0.0000000300000000, 0.0003432200000000 ] - [ 0.0035354700000000, 0.0000750500000000, 0.0014403600000000 ] - [ 0.0020515100000000, 0.0000000100000000, -0.0001575900000000 ] - [ 0.0012232900000000, 0.0000111400000000, 0.0002467600000000 ] - [ 0.0026060700000000, 0.0000065900000000, 0.0008010200000000 ] - [ 0.0027277500000000, -0.0000413600000000, 0.0008627400000000 ] - [ 0.0028575300000000, 0.0000012100000000, 0.0014733500000000 ] - [ 0.0032618900000000, 0.0000128000000000, 0.0011069100000000 ] - [ 0.0006252300000000, 0.0000005000000000, 0.0001527600000000 ] - [ 0.0034955900000000, -0.0000047600000000, 0.0004127700000000 ] - [ 0.2214393600000000, -0.1571669200000000, 0.0092198700000000 ] - [ 0.0061997400000000, 0.0005176300000000, 0.0012986000000000 ] - [ 0.0019890800000000, -0.0004710200000000, 0.0000284300000000 ] - [ -0.0053394900000000, 0.0003131800000000, 0.0017939800000000 ] - [ 0.0013200500000000, 0.0000511500000000, 0.0001010800000000 ] - [ -0.0038899000000000, -0.0007493400000000, -0.0022398300000000 ] - [ -0.0043366400000000, 0.0012043700000000, -0.0021048600000000 ] - [ -0.0022379200000000, -0.0005981500000000, -0.0011245700000000 ] - [ -0.0026766800000000, -0.0005644700000000, -0.0009277600000000 ] - [ -0.0028993000000000, 0.0013917000000000, -0.0013264000000000 ] - [ 0.0001779200000000, -0.0002891700000000, -0.0009076800000000 ] - [ 0.0020006900000000, 0.0004688100000000, 0.0000257400000000 ] - [ 0.0002980400000000, -0.0005270300000000, 0.0004426300000000 ] - [ -0.0001877200000000, 0.0041715700000000, 0.0057923000000000 ] - [ 0.0003632400000000, -0.0000627700000000, 0.0011648600000000 ] - [ 0.0019993700000000, 0.0003303200000000, -0.0004581000000000 ] - [ -0.0000986100000000, -0.0000555600000000, 0.0000980700000000 ] - [ 0.0010479500000000, 0.0004399200000000, 0.0020320700000000 ] - [ 0.0019703200000000, -0.0017614100000000, 0.0030067700000000 ] - [ -0.0012229700000000, 0.0000066800000000, -0.0008172700000000 ] - [ 0.0039639600000000, -0.0000057500000000, 0.0002464800000000 ] - [ -0.0001004700000000, 0.0000533700000000, 0.0000981700000000 ] - [ 0.0000770400000000, -0.0000044700000000, -0.0005539600000000 ] - [ 0.0028265500000000, -0.0001189700000000, -0.0023941500000000 ] - [ 0.0003502600000000, 0.0004539200000000, 0.0003674700000000 ] - [ 0.0317711600000000, -0.0022043700000000, 0.0005017600000000 ] - [ 0.0006823200000000, -0.0003621800000000, 0.0020627600000000 ] - [ 0.0000608700000000, -0.0003206700000000, -0.0014738000000000 ] - [ -0.0723672200000000, 0.0596550000000000, -0.0005794800000000 ] - [ 0.0020701400000000, 0.0003004700000000, 0.0001264700000000 ] - [ -0.0018583800000000, 0.0003560800000000, 0.0000435900000000 ] - [ -0.0025397400000000, 0.0000014500000000, -0.0006726000000000 ] - [ -0.0010916400000000, 0.0002568300000000, -0.0003550900000000 ] - [ -0.0039053900000000, 0.0001596400000000, -0.0008278900000000 ] - [ -0.0011482900000000, 0.0000000100000000, -0.0001507900000000 ] - [ -0.0024054700000000, -0.0000660000000000, -0.0001062800000000 ] - [ -0.0022171200000000, 0.0000116500000000, -0.0002144000000000 ] - [ -0.0018402600000000, -0.0004798200000000, -0.0003009900000000 ] - [ -0.0023163100000000, 0.0000504400000000, -0.0000716600000000 ] - [ -0.0018914500000000, 0.0005329300000000, -0.0004315100000000 ] - [ -0.0005791200000000, -0.0003684100000000, 0.0000828000000000 ] - [ -0.0010905200000000, -0.0002551700000000, -0.0003547000000000 ] - [ -0.0009306700000000, -0.0007413500000000, -0.0004073700000000 ] - [ -0.0015588600000000, -0.0003752200000000, -0.0006340700000000 ] - [ -0.0019107300000000, 0.0000061300000000, -0.0007892400000000 ] - [ -0.0003112000000000, 0.0001231100000000, 0.0000551000000000 ] - [ -0.0000740600000000, 0.0002701600000000, -0.0003857200000000 ] - [ -0.0020590300000000, 0.0003451100000000, -0.0007177000000000 ] - [ -0.0015641100000000, 0.0003788800000000, -0.0006351200000000 ] - [ -0.0003411400000000, -0.0000076200000000, 0.0005971900000000 ] - [ -0.0009882500000000, 0.0000003700000000, 0.0002028400000000 ] - [ -0.0000704600000000, -0.0002645000000000, -0.0003841900000000 ] - [ -0.0007262200000000, 0.0000010500000000, -0.0003920000000000 ] - [ -0.0009547100000000, -0.0000011000000000, -0.0000361400000000 ] - [ -0.0009327100000000, 0.0007401600000000, -0.0004104300000000 ] - [ -0.0018562400000000, -0.0003548000000000, 0.0000430000000000 ] - [ -0.0020513200000000, -0.0003541600000000, -0.0007084700000000 ] - [ -0.0005669600000000, 0.0003673600000000, 0.0000786800000000 ] - [ -0.0040044800000000, 0.0000018100000000, 0.0001692300000000 ] - [ -0.0003108900000000, -0.0001237200000000, 0.0000548500000000 ] - [ -0.0004833800000000, 0.0000488200000000, 0.0021663400000000 ] - [ 0.0004961800000000, -0.0000013200000000, 0.0007759800000000 ] - [ 0.0004226400000000, -0.0000378200000000, -0.0011217200000000 ] - [ -0.0007773100000000, -0.0022376000000000, -0.0061025500000000 ] - [ -0.0007397700000000, -0.0000195500000000, -0.0009053900000000 ] - [ -0.0003877300000000, -0.0000007700000000, -0.0001937000000000 ] - [ -0.0008582000000000, 0.0000001200000000, 0.0003990100000000 ] - [ -0.0011263700000000, -0.0000007900000000, 0.0000869500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010857900000000, 0.0000885700000000, -0.0004797500000000 ] - [ 0.0005853100000000, -0.0000158100000000, 0.0000550700000000 ] - [ -0.0017331000000000, -0.0030491600000000, -0.0043022700000000 ] - [ -0.0007744600000000, -0.0031995400000000, 0.0037339900000000 ] - [ -0.0003097200000000, 0.0003471800000000, -0.0002570500000000 ] - [ 0.0004884200000000, -0.0001055800000000, 0.0001200700000000 ] - [ 0.0003925600000000, -0.0000000900000000, 0.0001939600000000 ] - [ 0.0002556000000000, -0.0000011000000000, -0.0005640300000000 ] - [ 0.0004862200000000, -0.0000008300000000, -0.0002813800000000 ] - [ 0.0002342000000000, -0.0000012400000000, 0.0000833100000000 ] - [ 0.0004768800000000, -0.0000003000000000, 0.0001492000000000 ] - [ 0.0001384100000000, -0.0000229300000000, 0.0007494400000000 ] - [ -0.0003444200000000, 0.0001050700000000, -0.0006671500000000 ] - [ 0.0034745300000000, 0.0145769600000000, 0.0001145300000000 ] - [ 0.0061890300000000, 0.0004516800000000, -0.0051421500000000 ] - [ 0.0003253400000000, 0.0000422700000000, 0.0015566500000000 ] - [ 0.0009462000000000, -0.0000003900000000, -0.0002965200000000 ] - [ 0.0006365700000000, 0.0000002900000000, 0.0006021300000000 ] - [ 0.0007439100000000, 0.0000278300000000, -0.0008249600000000 ] - [ 0.0002933400000000, 0.0000008700000000, 0.0005316300000000 ] - [ -0.0002363800000000, -0.0000081800000000, -0.0001674100000000 ] - [ -0.0001204500000000, 0.0000459900000000, 0.0000681700000000 ] - [ -0.0011043800000000, 0.0000328700000000, -0.0003162200000000 ] - [ -0.0001047300000000, -0.0008079500000000, 0.0000648900000000 ] - [ 0.0013804000000000, 0.0001089000000000, 0.0004050000000000 ] - [ 0.0022043000000000, 0.0011276900000000, 0.0008778600000000 ] - [ 0.0015773800000000, -0.0042980500000000, -0.0001077500000000 ] - [ -0.0006079300000000, -0.0022057000000000, -0.0000070200000000 ] - [ -0.0002690100000000, -0.0008109100000000, -0.0003270300000000 ] - [ -0.1101333700000000, 0.2690612800000000, -0.0006029600000000 ] - [ 0.0005629900000000, -0.0000088200000000, 0.0001692700000000 ] - [ -0.0011844900000000, -0.0000254000000000, -0.0005679200000000 ] - [ 0.0002620400000000, 0.0000007700000000, -0.0002448000000000 ] - [ -0.0001130100000000, 0.0000104100000000, -0.0002640500000000 ] - [ 0.0009846400000000, -0.0000021000000000, 0.0002901500000000 ] - [ 0.0007369800000000, -0.0000224100000000, 0.0002472600000000 ] - [ 0.0010113600000000, 0.0000034200000000, 0.0006684700000000 ] - [ 0.0013579500000000, 0.0000017900000000, 0.0004542900000000 ] - [ -0.0007030400000000, 0.0000054500000000, -0.0002606200000000 ] - [ 0.0007808200000000, 0.0000015600000000, 0.0003019100000000 ] - [ 0.1545624500000000, -0.3998385600000000, 0.0037140800000000 ] - [ -0.0011253700000000, 0.0012948300000000, 0.0004051200000000 ] - [ 0.0005386200000000, -0.0001292700000000, -0.0000940300000000 ] - [ 0.0010625700000000, -0.0000032700000000, -0.0005163000000000 ] - [ -0.0003052500000000, 0.0000935100000000, -0.0000079600000000 ] - [ -0.0013723100000000, 0.0009951100000000, -0.0002062700000000 ] - [ -0.0053632700000000, 0.0012353600000000, -0.0005164300000000 ] - [ -0.0004982000000000, -0.0003435100000000, -0.0006503200000000 ] - [ -0.0006467100000000, -0.0005892400000000, 0.0001783200000000 ] - [ -0.0003708600000000, 0.0004829200000000, -0.0009915700000000 ] - [ 0.0005026900000000, 0.0000956300000000, -0.0001524700000000 ] - [ 0.0005366300000000, 0.0000926900000000, -0.0000941600000000 ] - [ -0.0002165600000000, -0.0006277100000000, -0.0000653300000000 ] - [ -0.0018794700000000, 0.0009177200000000, 0.0015523400000000 ] - [ 0.0006606500000000, 0.0003151100000000, 0.0006338700000000 ] - [ 0.0007838900000000, 0.0011053200000000, -0.0011536400000000 ] - [ 0.0003593300000000, -0.0000370800000000, 0.0001282800000000 ] - [ -0.0000496100000000, 0.0011475000000000, 0.0012259500000000 ] - [ -0.0001165100000000, 0.0015207100000000, -0.0015469200000000 ] - [ -0.0000825100000000, -0.0000097100000000, -0.0002294500000000 ] - [ 0.0016157900000000, -0.0000166700000000, 0.0001158000000000 ] - [ 0.0003632300000000, 0.0000392600000000, 0.0001271300000000 ] - [ 0.0003154300000000, 0.0000063300000000, -0.0001696400000000 ] - [ 0.0010871400000000, -0.0001097700000000, -0.0005698600000000 ] - [ -0.0001500900000000, 0.0005336700000000, -0.0001620800000000 ] - [ -0.0025891100000000, 0.1140364200000000, 0.0021411200000000 ] - [ 0.0016408400000000, 0.0004595400000000, -0.0001555800000000 ] - [ 0.0008027400000000, 0.0008303900000000, 0.0008063900000000 ] - [ -0.0470299100000000, 0.0058884100000000, -0.0003448400000000 ] - [ 0.0008114500000000, 0.0002995200000000, 0.0001501100000000 ] - [ -0.0004221700000000, 0.0000530100000000, 0.0001510400000000 ] - [ -0.0009491700000000, -0.0000004800000000, -0.0003384500000000 ] - [ -0.0001811400000000, 0.0000399400000000, -0.0002198600000000 ] - [ -0.0009660600000000, 0.0000117200000000, -0.0002834200000000 ] - [ -0.0001017000000000, -0.0000001800000000, 0.0001017000000000 ] - [ -0.0010091800000000, -0.0001493900000000, -0.0000169000000000 ] - [ -0.0006499500000000, 0.0000061500000000, 0.0001006300000000 ] - [ -0.0000160900000000, 0.0006085900000000, 0.0001092700000000 ] - [ -0.0009685200000000, 0.0001567000000000, -0.0000170500000000 ] - [ -0.0000055600000000, -0.0006080900000000, 0.0001031500000000 ] - [ 0.0001279600000000, -0.0001867100000000, 0.0000003100000000 ] - [ -0.0001808500000000, -0.0000392900000000, -0.0002192700000000 ] - [ -0.0000993800000000, -0.0004584000000000, -0.0000681700000000 ] - [ -0.0005832700000000, -0.0000210900000000, -0.0002935800000000 ] - [ -0.0004634100000000, 0.0000046900000000, -0.0001405000000000 ] - [ 0.0004848700000000, -0.0000361000000000, 0.0002671300000000 ] - [ -0.0000471200000000, 0.0000754900000000, -0.0001343000000000 ] - [ -0.0008978900000000, 0.0001039500000000, -0.0003009300000000 ] - [ -0.0005811000000000, 0.0000206700000000, -0.0002944900000000 ] - [ -0.0005354300000000, -0.0000105100000000, -0.0001257200000000 ] - [ 0.0005720800000000, 0.0000001400000000, 0.0001429900000000 ] - [ -0.0000398400000000, -0.0000707100000000, -0.0001327000000000 ] - [ -0.0003242400000000, 0.0000007900000000, -0.0003606500000000 ] - [ 0.0002141800000000, -0.0000014400000000, 0.0000904400000000 ] - [ -0.0000966200000000, 0.0004566900000000, -0.0000667100000000 ] - [ -0.0004219300000000, -0.0000544500000000, 0.0001505600000000 ] - [ -0.0008947000000000, -0.0001035100000000, -0.0002972600000000 ] - [ 0.0001425400000000, 0.0001841000000000, -0.0000046400000000 ] - [ -0.0014782400000000, -0.0000006000000000, -0.0000884300000000 ] - [ 0.0004845600000000, 0.0000343500000000, 0.0002662500000000 ] - [ -0.0000171000000000, -0.0000163300000000, 0.0010092100000000 ] - [ 0.0003851300000000, 0.0000175800000000, 0.0004367000000000 ] - [ -0.0007677600000000, -0.0001298500000000, -0.0003995600000000 ] - [ -0.0004583300000000, -0.0010200400000000, 0.0012728000000000 ] - [ -0.0001946000000000, -0.0000055800000000, -0.0001140300000000 ] - [ 0.0000305800000000, -0.0000004300000000, 0.0001405100000000 ] - [ -0.0002216800000000, -0.0000001000000000, 0.0003165500000000 ] - [ -0.0004177300000000, -0.0000008200000000, -0.0000505300000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010566600000000, -0.0000900500000000, 0.0008046000000000 ] - [ -0.0005903400000000, 0.0000155000000000, -0.0000715100000000 ] - [ 0.0017747700000000, 0.0031621400000000, 0.0038592200000000 ] - [ 0.0005613500000000, 0.0032894700000000, -0.0036817700000000 ] - [ 0.0006016400000000, -0.0003524800000000, 0.0002666100000000 ] - [ -0.0004908100000000, 0.0001055000000000, -0.0001080800000000 ] - [ -0.0004332700000000, 0.0000001600000000, 0.0001217200000000 ] - [ -0.0002603000000000, 0.0000003600000000, 0.0005633400000000 ] - [ -0.0004627100000000, -0.0000001000000000, -0.0000436200000000 ] - [ -0.0005239200000000, 0.0000004300000000, -0.0000682100000000 ] - [ -0.0001990400000000, 0.0000001100000000, -0.0001600900000000 ] - [ -0.0001454500000000, 0.0000228100000000, -0.0007507500000000 ] - [ 0.0010464000000000, -0.0000999700000000, -0.0003035800000000 ] - [ -0.0044349700000000, -0.0147104400000000, 0.0008904700000000 ] - [ -0.0062768000000000, -0.0004524600000000, 0.0039130700000000 ] - [ -0.0002154200000000, -0.0000432400000000, -0.0003373300000000 ] - [ -0.0002428700000000, 0.0000042500000000, -0.0006702600000000 ] - [ -0.0013498700000000, -0.0000047800000000, 0.0003633500000000 ] - [ -0.0008564000000000, -0.0000299500000000, -0.0003885500000000 ] - [ -0.0002107500000000, -0.0000001200000000, 0.0006931400000000 ] - [ 0.0003862600000000, 0.0000002600000000, 0.0001803800000000 ] - [ -0.0017267500000000, -0.0000518300000000, -0.0005820100000000 ] - [ 0.0007368700000000, -0.0000326100000000, -0.0002247600000000 ] - [ -0.0009272500000000, 0.0008025600000000, -0.0009524000000000 ] - [ 0.0004581400000000, -0.0001033900000000, 0.0001054500000000 ] - [ -0.0023432000000000, -0.0011351800000000, -0.0008825900000000 ] - [ -0.0004802000000000, 0.0043453600000000, 0.0009967200000000 ] - [ 0.0025008800000000, 0.0022270400000000, 0.0006578800000000 ] - [ -0.0016029400000000, 0.0008079700000000, -0.0003234600000000 ] - [ 0.1234298900000000, -0.2876602900000000, 0.0011646700000000 ] - [ -0.0004099600000000, 0.0000050500000000, -0.0001585300000000 ] - [ -0.0006664000000000, 0.0000300300000000, 0.0000510900000000 ] - [ -0.0006519600000000, -0.0000012900000000, -0.0002971400000000 ] - [ -0.0009497300000000, -0.0000074000000000, -0.0006375100000000 ] - [ 0.0008356800000000, 0.0000080000000000, 0.0002169800000000 ] - [ -0.0008971000000000, 0.0000272800000000, -0.0002629100000000 ] - [ 0.0000130800000000, 0.0000022700000000, 0.0002161000000000 ] - [ 0.0005440900000000, -0.0000018000000000, 0.0001946900000000 ] - [ -0.0012081100000000, 0.0000055700000000, -0.0003903700000000 ] - [ -0.0004162100000000, 0.0000032600000000, 0.0002398100000000 ] - [ -0.1677513400000000, 0.4208957900000000, -0.0033454500000000 ] - [ -0.0000229100000000, -0.0013020100000000, -0.0007882700000000 ] - [ -0.0003978900000000, 0.0001275600000000, -0.0002545900000000 ] - [ -0.0006790900000000, -0.0000010100000000, 0.0005806100000000 ] - [ 0.0005069500000000, -0.0000933700000000, 0.0002286400000000 ] - [ 0.0008863400000000, -0.0010357900000000, 0.0002226400000000 ] - [ 0.0051792600000000, -0.0012193100000000, 0.0010333300000000 ] - [ 0.0005551500000000, 0.0012742300000000, 0.0006507800000000 ] - [ 0.0001574800000000, 0.0006453900000000, -0.0001704700000000 ] - [ 0.0004242400000000, -0.0014099100000000, 0.0009905000000000 ] - [ 0.0001752500000000, -0.0003125600000000, 0.0003786700000000 ] - [ -0.0003962500000000, -0.0000922200000000, -0.0002534500000000 ] - [ 0.0001677200000000, -0.0003048100000000, 0.0000556700000000 ] - [ 0.0011996600000000, -0.0007548100000000, -0.0017998600000000 ] - [ -0.0008720400000000, -0.0003181900000000, -0.0008583500000000 ] - [ 0.0005242900000000, -0.0012060100000000, 0.0016714100000000 ] - [ 0.0001335100000000, 0.0001005000000000, -0.0001317300000000 ] - [ -0.0012500300000000, -0.0010380600000000, -0.0017619800000000 ] - [ -0.0005820600000000, -0.0017217300000000, 0.0013175700000000 ] - [ -0.0002618400000000, 0.0000101900000000, 0.0001595400000000 ] - [ 0.0002773800000000, 0.0000172400000000, 0.0001760700000000 ] - [ 0.0001299200000000, -0.0001029200000000, -0.0001306900000000 ] - [ -0.0002096600000000, -0.0000068500000000, -0.0003497900000000 ] - [ -0.0000238200000000, 0.0001091700000000, 0.0009571300000000 ] - [ 0.0001011100000000, 0.0003990200000000, 0.0001528200000000 ] - [ 0.0025913000000000, -0.1169497200000000, -0.0017911000000000 ] - [ -0.0029493300000000, -0.0005802400000000, -0.0003809000000000 ] - [ -0.0001256300000000, -0.0006128800000000, -0.0005772200000000 ] - [ 0.0453337100000000, -0.0055824900000000, 0.0000549500000000 ] - [ 0.0004976700000000, -0.0001939200000000, 0.0003708100000000 ] - [ 0.0002807400000000, -0.0000492900000000, 0.0001974700000000 ] - [ -0.0001373600000000, 0.0000002100000000, -0.0000524900000000 ] - [ 0.0003292200000000, -0.0000415600000000, -0.0001282800000000 ] - [ 0.0013243900000000, -0.0000120200000000, 0.0003589400000000 ] - [ 0.0003178100000000, 0.0000001900000000, 0.0001225500000000 ] - [ 0.0005234600000000, 0.0000839400000000, 0.0000209500000000 ] - [ 0.0005500900000000, -0.0000062100000000, 0.0004215700000000 ] - [ 0.0000730200000000, 0.0003291900000000, -0.0000993600000000 ] - [ 0.0004828700000000, -0.0000915200000000, 0.0000215100000000 ] - [ 0.0000639200000000, -0.0003311100000000, -0.0000930300000000 ] - [ 0.0005556400000000, -0.0000213700000000, 0.0002166700000000 ] - [ 0.0003290500000000, 0.0000411500000000, -0.0001275400000000 ] - [ 0.0000571800000000, -0.0004715100000000, 0.0000673400000000 ] - [ -0.0000941100000000, 0.0002292100000000, 0.0000768000000000 ] - [ 0.0002546000000000, -0.0000047400000000, -0.0000773200000000 ] - [ 0.0008299300000000, -0.0000794000000000, 0.0002663500000000 ] - [ 0.0005367700000000, -0.0000150200000000, 0.0001280400000000 ] - [ -0.0004106500000000, 0.0000072300000000, -0.0002292400000000 ] - [ -0.0000962400000000, -0.0002284500000000, 0.0000767300000000 ] - [ 0.0001848700000000, 0.0000111400000000, 0.0000458500000000 ] - [ 0.0013330400000000, 0.0000004600000000, 0.0001533100000000 ] - [ 0.0005296700000000, 0.0000098400000000, 0.0001260800000000 ] - [ 0.0004264800000000, -0.0000008400000000, -0.0001644100000000 ] - [ 0.0008865100000000, 0.0000021800000000, 0.0003029700000000 ] - [ 0.0000542500000000, 0.0004732300000000, 0.0000658200000000 ] - [ 0.0002804100000000, 0.0000499100000000, 0.0001968200000000 ] - [ -0.0004134300000000, -0.0000075900000000, -0.0002313400000000 ] - [ 0.0005409100000000, 0.0000238700000000, 0.0002212800000000 ] - [ -0.0004073200000000, -0.0000007000000000, -0.0002078500000000 ] - [ 0.0008302500000000, 0.0000796200000000, 0.0002656500000000 ] - [ 0.0001315300000000, 0.0000160000000000, -0.0013163200000000 ] - [ 0.0000195600000000, -0.0000177600000000, -0.0000972000000000 ] - [ 0.0006383000000000, 0.0001299400000000, 0.0007002500000000 ] - [ 0.0000869600000000, 0.0010575100000000, -0.0015467000000000 ] - [ 0.0003099500000000, 0.0000050900000000, -0.0001882800000000 ] - [ 0.0003764300000000, 0.0000004800000000, 0.0002014200000000 ] - [ 0.0001127100000000, -0.0000000400000000, -0.0000119500000000 ] - [ 0.0000165400000000, 0.0000004700000000, -0.0002941700000000 ]- atom: 41 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0010629800000000, -0.0000920700000000, -0.0015388300000000 ] - [ -0.0014835000000000, 0.0000047000000000, -0.0001320400000000 ] - [ 0.0003300600000000, -0.0023940400000000, 0.0062025200000000 ] - [ -0.0004050900000000, -0.0000396700000000, 0.0043245100000000 ] - [ 0.0006522000000000, 0.0004004300000000, -0.0031663700000000 ] - [ 0.0011955200000000, -0.0000968800000000, -0.0003763200000000 ] - [ -0.0002269300000000, -0.0000005300000000, 0.0001020400000000 ] - [ 0.0004686800000000, -0.0000005700000000, -0.0003005800000000 ] - [ 0.0000108400000000, -0.0000002500000000, -0.0001338600000000 ] - [ -0.0000300600000000, -0.0000015800000000, 0.0000513600000000 ] - [ 0.0000419800000000, -0.0000006600000000, -0.0000612800000000 ] - [ -0.0005813200000000, -0.0000205400000000, 0.0002008200000000 ] - [ 0.0001569800000000, 0.0000722900000000, -0.0023796900000000 ] - [ -0.0009414600000000, 0.0000160000000000, 0.0116610500000000 ] - [ 0.0019426300000000, -0.0003770400000000, 0.0006490600000000 ] - [ -0.0003130100000000, -0.0000577600000000, -0.0026156000000000 ] - [ 0.0002822500000000, -0.0000012200000000, -0.0011360500000000 ] - [ -0.0003561700000000, -0.0000026300000000, 0.0008012000000000 ] - [ -0.0002584800000000, 0.0000201600000000, 0.0000586700000000 ] - [ -0.0000747300000000, 0.0000007900000000, 0.0003002500000000 ] - [ -0.0000940600000000, -0.0000031900000000, -0.0001040400000000 ] - [ -0.0012978600000000, 0.0000544400000000, -0.0002662700000000 ] - [ 0.0001436100000000, -0.0000091100000000, -0.0005155600000000 ] - [ -0.0024237700000000, -0.0007186900000000, -0.0011891600000000 ] - [ 0.0010574200000000, 0.0000964100000000, 0.0002019000000000 ] - [ -0.0011661800000000, 0.0002099400000000, -0.0004295500000000 ] - [ 0.0019481400000000, -0.0039813800000000, 0.0006879600000000 ] - [ 0.0034236400000000, 0.0021122100000000, 0.0010332400000000 ] - [ -0.0026134100000000, 0.0006683200000000, -0.0009272500000000 ] - [ -0.0134047100000000, 0.0098826800000000, 0.0793963500000000 ] - [ -0.0004192100000000, 0.0000004200000000, -0.0001884100000000 ] - [ -0.0000031600000000, -0.0000290700000000, 0.0000511900000000 ] - [ -0.0003357900000000, 0.0000039900000000, -0.0002792200000000 ] - [ -0.0004777300000000, 0.0000128800000000, -0.0004331800000000 ] - [ 0.0004731100000000, -0.0000014300000000, 0.0001071300000000 ] - [ 0.0001319700000000, 0.0000428400000000, 0.0000752100000000 ] - [ 0.0004729400000000, 0.0000001900000000, 0.0004315100000000 ] - [ 0.0008207500000000, 0.0000049900000000, 0.0002798900000000 ] - [ -0.0010150300000000, 0.0000071400000000, -0.0003444900000000 ] - [ 0.0001991000000000, 0.0000040800000000, 0.0002739200000000 ] - [ 0.0100266700000000, -0.0113074100000000, -0.0480117300000000 ] - [ -0.0017403000000000, 0.0012812400000000, 0.0012258500000000 ] - [ 0.0000331000000000, 0.0000394100000000, 0.0004045600000000 ] - [ -0.0005692700000000, 0.0000267100000000, -0.0000974200000000 ] - [ 0.0011832700000000, -0.0000760600000000, 0.0007626700000000 ] - [ -0.0002842300000000, -0.0007495600000000, -0.0005606600000000 ] - [ 0.0020123600000000, -0.0002797900000000, -0.0015097100000000 ] - [ 0.0003757500000000, 0.0002114800000000, -0.0005972800000000 ] - [ -0.0000079500000000, 0.0000956400000000, -0.0003159700000000 ] - [ 0.0005138600000000, 0.0000843000000000, -0.0008808900000000 ] - [ 0.0012043300000000, 0.0005855500000000, 0.0007356000000000 ] - [ 0.0000374900000000, -0.0000401100000000, 0.0004196300000000 ] - [ -0.0002934700000000, -0.0003609600000000, 0.0007971400000000 ] - [ -0.0036257200000000, 0.0018298700000000, 0.0020272100000000 ] - [ -0.0017491100000000, -0.0003409100000000, -0.0009066200000000 ] - [ 0.0008874000000000, -0.0012221100000000, 0.0024626100000000 ] - [ 0.0003452800000000, 0.0000151100000000, 0.0001528900000000 ] - [ -0.0017029700000000, -0.0007963100000000, -0.0007454400000000 ] - [ -0.0012243400000000, 0.0014835900000000, -0.0011458100000000 ] - [ 0.0002399500000000, -0.0000076100000000, 0.0000952800000000 ] - [ 0.0003718200000000, 0.0000052300000000, 0.0011137800000000 ] - [ 0.0003475800000000, -0.0000132900000000, 0.0001518000000000 ] - [ -0.0000073900000000, 0.0000043700000000, 0.0002009400000000 ] - [ 0.0024544400000000, -0.0000094000000000, 0.0009914500000000 ] - [ -0.0002399600000000, 0.0002819200000000, 0.0007155500000000 ] - [ 0.0022365900000000, -0.0019303500000000, -0.0302178600000000 ] - [ -0.0033393800000000, -0.0009362400000000, 0.0006787100000000 ] - [ 0.0015074000000000, -0.0000356700000000, 0.0014250500000000 ] - [ -0.0033008100000000, 0.0040043500000000, -0.0241049200000000 ] - [ 0.0008796900000000, 0.0001307700000000, 0.0013974400000000 ] - [ -0.0000967300000000, 0.0000122000000000, 0.0001397000000000 ] - [ -0.0005266700000000, -0.0000005300000000, -0.0001649900000000 ] - [ 0.0001566400000000, -0.0000264600000000, -0.0001161900000000 ] - [ 0.0002946100000000, 0.0000203200000000, 0.0000061800000000 ] - [ 0.0001148100000000, -0.0000005900000000, 0.0001991400000000 ] - [ -0.0003745100000000, -0.0000091800000000, -0.0001065400000000 ] - [ -0.0002239000000000, -0.0000122100000000, 0.0001718200000000 ] - [ -0.0003101300000000, 0.0002286300000000, -0.0002592900000000 ] - [ -0.0004512600000000, 0.0000072500000000, -0.0001186000000000 ] - [ -0.0002849600000000, -0.0002301900000000, -0.0002629100000000 ] - [ 0.0002144400000000, -0.0000562600000000, 0.0002487500000000 ] - [ 0.0001564800000000, 0.0000269500000000, -0.0001155900000000 ] - [ 0.0001581000000000, -0.0003545100000000, 0.0001142600000000 ] - [ -0.0002723500000000, 0.0000827800000000, -0.0001732100000000 ] - [ 0.0000890600000000, -0.0000003700000000, -0.0002501800000000 ] - [ 0.0007062800000000, -0.0000521300000000, 0.0002897700000000 ] - [ 0.0005461700000000, -0.0000093400000000, 0.0003127700000000 ] - [ -0.0006006400000000, 0.0000210900000000, -0.0002800900000000 ] - [ -0.0002715100000000, -0.0000815000000000, -0.0001748900000000 ] - [ -0.0003538500000000, -0.0000073200000000, 0.0001293500000000 ] - [ 0.0010739800000000, 0.0000001200000000, 0.0001687400000000 ] - [ 0.0005450400000000, 0.0000102200000000, 0.0003092300000000 ] - [ 0.0004138600000000, -0.0000005400000000, -0.0001007600000000 ] - [ 0.0005160700000000, -0.0000020700000000, 0.0001613500000000 ] - [ 0.0001612400000000, 0.0003528100000000, 0.0001154500000000 ] - [ -0.0000963900000000, -0.0000116000000000, 0.0001397200000000 ] - [ -0.0005994900000000, -0.0000257000000000, -0.0002777700000000 ] - [ 0.0002307300000000, 0.0000535800000000, 0.0002431200000000 ] - [ -0.0009575800000000, -0.0000005600000000, -0.0002118500000000 ] - [ 0.0007061200000000, 0.0000492900000000, 0.0002884700000000 ] - [ -0.0003304500000000, 0.0000174500000000, -0.0000907300000000 ] - [ -0.0001196200000000, -0.0000161300000000, 0.0008901200000000 ] - [ 0.0011524800000000, 0.0001440300000000, 0.0013190400000000 ] - [ 0.0048297700000000, 0.0021140200000000, 0.0004061300000000 ] - [ 0.0003437600000000, -0.0000041300000000, -0.0003375300000000 ] - [ 0.0003676600000000, 0.0000001800000000, 0.0003209700000000 ] - [ -0.0001298800000000, -0.0000003300000000, 0.0002512600000000 ] - [ -0.0002425600000000, 0.0000003200000000, -0.0002201200000000 ]- atom: 41 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0011153200000000, 0.0000925000000000, 0.0018548100000000 ] - [ 0.0014994100000000, -0.0000056900000000, 0.0001298800000000 ] - [ -0.0003819000000000, 0.0026044500000000, -0.0069047000000000 ] - [ 0.0002000800000000, 0.0000734000000000, -0.0041877500000000 ] - [ -0.0003688300000000, -0.0003940600000000, 0.0031351100000000 ] - [ -0.0011866600000000, 0.0000951000000000, 0.0003829000000000 ] - [ 0.0001940500000000, 0.0000000800000000, 0.0002150900000000 ] - [ -0.0004655500000000, 0.0000003500000000, 0.0002912700000000 ] - [ 0.0000294300000000, 0.0000004600000000, -0.0001880400000000 ] - [ -0.0002516200000000, 0.0000016400000000, -0.0000338800000000 ] - [ 0.0002509700000000, -0.0000008900000000, 0.0000518900000000 ] - [ 0.0005862400000000, 0.0000200000000000, -0.0001892300000000 ] - [ 0.0005293400000000, -0.0000698200000000, 0.0014220200000000 ] - [ 0.0002652000000000, 0.0000530800000000, -0.0107051300000000 ] - [ -0.0019506400000000, 0.0003813500000000, -0.0019488600000000 ] - [ 0.0004038600000000, 0.0000565800000000, 0.0038563600000000 ] - [ 0.0004283500000000, 0.0000021900000000, 0.0001769200000000 ] - [ -0.0003310000000000, -0.0000004800000000, 0.0001663000000000 ] - [ 0.0001842500000000, -0.0000200300000000, -0.0012815900000000 ] - [ 0.0001596300000000, -0.0000009300000000, 0.0009262000000000 ] - [ 0.0002347900000000, 0.0000003600000000, 0.0001118600000000 ] - [ -0.0005081400000000, -0.0000528000000000, -0.0002353300000000 ] - [ -0.0005271700000000, 0.0000065000000000, -0.0000266400000000 ] - [ 0.0013570300000000, 0.0007020700000000, 0.0002938900000000 ] - [ 0.0007866600000000, -0.0000826800000000, 0.0003114100000000 ] - [ 0.0010194900000000, -0.0002113900000000, 0.0004185700000000 ] - [ -0.0009078800000000, 0.0039388000000000, 0.0002200700000000 ] - [ -0.0015411700000000, -0.0021381300000000, -0.0003969700000000 ] - [ 0.0007302700000000, -0.0006819500000000, 0.0002852900000000 ] - [ 0.0127103500000000, -0.0079560000000000, -0.0787103200000000 ] - [ 0.0005711400000000, 0.0000006300000000, 0.0001992800000000 ] - [ -0.0018369200000000, 0.0000318400000000, -0.0005659100000000 ] - [ -0.0000343400000000, 0.0000078400000000, -0.0002614800000000 ] - [ -0.0005839200000000, -0.0000111100000000, -0.0004663100000000 ] - [ 0.0013624200000000, -0.0000002800000000, 0.0004051700000000 ] - [ -0.0002672100000000, -0.0000459500000000, -0.0000827000000000 ] - [ 0.0005754700000000, 0.0000038700000000, 0.0004626800000000 ] - [ 0.0010896500000000, -0.0000025900000000, 0.0003716500000000 ] - [ -0.0008911900000000, -0.0000013700000000, -0.0003060400000000 ] - [ 0.0001572300000000, -0.0000023400000000, 0.0002680600000000 ] - [ -0.0086669500000000, 0.0083098300000000, 0.0484580300000000 ] - [ 0.0006404500000000, -0.0012601400000000, -0.0016088500000000 ] - [ 0.0001234200000000, -0.0000473500000000, -0.0007525100000000 ] - [ 0.0009360200000000, -0.0000275900000000, 0.0001640800000000 ] - [ -0.0009878100000000, 0.0000774200000000, -0.0005504100000000 ] - [ -0.0002084800000000, 0.0006934400000000, 0.0005728600000000 ] - [ -0.0021150100000000, 0.0002859900000000, 0.0020519600000000 ] - [ -0.0003409000000000, 0.0007120200000000, 0.0005929600000000 ] - [ -0.0004832600000000, -0.0000363300000000, 0.0003281300000000 ] - [ -0.0004772100000000, -0.0010032200000000, 0.0008707500000000 ] - [ -0.0005190200000000, -0.0007853500000000, -0.0005222100000000 ] - [ 0.0001191200000000, 0.0000471700000000, -0.0007670700000000 ] - [ 0.0002429500000000, -0.0005726600000000, -0.0008033400000000 ] - [ 0.0028996200000000, -0.0015955500000000, -0.0022174400000000 ] - [ 0.0015595800000000, 0.0003447800000000, 0.0007036200000000 ] - [ 0.0004243800000000, 0.0011266300000000, -0.0019543700000000 ] - [ 0.0001513100000000, 0.0000431200000000, -0.0001551900000000 ] - [ 0.0004070700000000, 0.0009175600000000, 0.0002384300000000 ] - [ 0.0005418600000000, -0.0016732100000000, 0.0009086100000000 ] - [ -0.0005903300000000, 0.0000084100000000, -0.0001715800000000 ] - [ 0.0015315000000000, -0.0000051700000000, -0.0008238700000000 ] - [ 0.0001494000000000, -0.0000451100000000, -0.0001545200000000 ] - [ 0.0001145900000000, -0.0000043500000000, -0.0007257000000000 ] - [ -0.0013259200000000, 0.0000045800000000, -0.0005907000000000 ] - [ 0.0001913200000000, 0.0006498800000000, -0.0007233900000000 ] - [ -0.0024578300000000, 0.0024115500000000, 0.0305797300000000 ] - [ 0.0020758900000000, 0.0008406200000000, -0.0012110400000000 ] - [ -0.0008187200000000, 0.0002375500000000, -0.0012032600000000 ] - [ 0.0010515000000000, -0.0037452500000000, 0.0238790800000000 ] - [ 0.0004321200000000, -0.0000186500000000, -0.0008741700000000 ] - [ -0.0000597300000000, -0.0000013400000000, 0.0002081200000000 ] - [ -0.0005734200000000, 0.0000000800000000, -0.0002308300000000 ] - [ -0.0000119600000000, 0.0000219300000000, -0.0002335400000000 ] - [ 0.0000387900000000, -0.0000203600000000, 0.0000613600000000 ] - [ 0.0000910400000000, 0.0000005000000000, 0.0000192600000000 ] - [ -0.0001258600000000, -0.0000544300000000, 0.0001118900000000 ] - [ 0.0001115200000000, 0.0000120300000000, 0.0003499100000000 ] - [ 0.0003580200000000, 0.0007053700000000, 0.0002658900000000 ] - [ -0.0000486300000000, 0.0000560300000000, 0.0001243200000000 ] - [ 0.0003335000000000, -0.0007035300000000, 0.0002689700000000 ] - [ 0.0004624900000000, -0.0001520700000000, -0.0000329200000000 ] - [ -0.0000136100000000, -0.0000234100000000, -0.0002320400000000 ] - [ -0.0002036800000000, -0.0005756200000000, -0.0001165900000000 ] - [ -0.0004122100000000, 0.0001198500000000, -0.0000480000000000 ] - [ -0.0002989900000000, 0.0000001700000000, 0.0000338400000000 ] - [ 0.0005987900000000, -0.0000554900000000, 0.0002407900000000 ] - [ -0.0000573100000000, 0.0000674300000000, -0.0003212500000000 ] - [ -0.0007123700000000, 0.0000884200000000, -0.0002521700000000 ] - [ -0.0004127400000000, -0.0001214200000000, -0.0000471200000000 ] - [ -0.0000032400000000, 0.0000082800000000, -0.0002064500000000 ] - [ 0.0008147100000000, 0.0000000100000000, 0.0001264800000000 ] - [ -0.0000567300000000, -0.0000687100000000, -0.0003182500000000 ] - [ -0.0003212600000000, 0.0000003500000000, -0.0004275700000000 ] - [ 0.0005723500000000, 0.0000024600000000, 0.0002319200000000 ] - [ -0.0002070000000000, 0.0005782200000000, -0.0001170100000000 ] - [ -0.0000592600000000, 0.0000016800000000, 0.0002070100000000 ] - [ -0.0007139900000000, -0.0000862600000000, -0.0002535000000000 ] - [ 0.0004461500000000, 0.0001550400000000, -0.0000274800000000 ] - [ -0.0009440600000000, -0.0000000200000000, -0.0000779300000000 ] - [ 0.0005988400000000, 0.0000563900000000, 0.0002405000000000 ] - [ 0.0004506300000000, -0.0000178300000000, -0.0001973200000000 ] - [ 0.0005369000000000, 0.0000163400000000, -0.0005499000000000 ] - [ -0.0012825200000000, -0.0001465900000000, -0.0010253900000000 ] - [ -0.0053218400000000, -0.0021525100000000, -0.0007671100000000 ] - [ -0.0002290400000000, 0.0000038000000000, 0.0000351100000000 ] - [ 0.0000400400000000, 0.0000000400000000, 0.0000187200000000 ] - [ 0.0000114900000000, 0.0000004400000000, 0.0000541300000000 ] - [ -0.0001723100000000, -0.0000004900000000, -0.0001202600000000 ]- atom: 42 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0016850900000000, 0.0000000000000000, -0.0010555600000000 ] - [ 0.0002480700000000, 0.0000000000000000, -0.0021233200000000 ] - [ 0.0049749800000000, 0.0000000000000000, -0.0003906900000000 ] - [ 0.0098429100000000, 0.0000000000000000, -0.0030807800000000 ] - [ 0.0185029900000000, 0.0000000000000000, 0.0019501000000000 ] - [ -0.0078064500000000, 0.0000000000000000, 0.0046013200000000 ] - [ -0.0018525600000000, 0.0000000000000000, -0.0005559800000000 ] - [ -0.0013182600000000, 0.0000000000000000, -0.0003259600000000 ] - [ -0.0023178600000000, 0.0000000000000000, -0.0006157800000000 ] - [ -0.0034172200000000, 0.0000000000000000, 0.0001546000000000 ] - [ -0.0024880500000000, 0.0000000000000000, -0.0000111000000000 ] - [ -0.0036295900000000, 0.0000000000000000, -0.0004055800000000 ] - [ -0.0017787500000000, 0.0000000000000000, -0.0058643200000000 ] - [ 0.0080865500000000, 0.0000000000000000, -0.0200651300000000 ] - [ -0.0007899900000000, 0.0000000000000000, 0.0028310300000000 ] - [ 0.0051288300000000, 0.0000000000000000, 0.0014059600000000 ] - [ -0.0020646300000000, 0.0000000000000000, 0.0009750800000000 ] - [ -0.0046125700000000, 0.0000000000000000, 0.0010316000000000 ] - [ -0.0040923600000000, 0.0000000000000000, -0.0031970500000000 ] - [ -0.0032146900000000, 0.0000000000000000, -0.0002775300000000 ] - [ -0.0018685600000000, 0.0000000000000000, -0.0006874400000000 ] - [ -0.0056370500000000, 0.0000000000000000, -0.0016683500000000 ] - [ 0.0049853300000000, 0.0000000000000000, -0.0026502900000000 ] - [ -0.0076933800000000, 0.0000000000000000, -0.0039972400000000 ] - [ 0.0020925000000000, 0.0000000000000000, 0.0015357900000000 ] - [ -0.0030314900000000, 0.0000000000000000, -0.0013843900000000 ] - [ 0.3151301500000000, 0.0000000000000000, 0.1172104000000000 ] - [ 0.0022906000000000, 0.0000000000000000, 0.0009354000000000 ] - [ 0.0021027700000000, 0.0000000000000000, 0.0003506600000000 ] - [ 0.0081428000000000, 0.0000000000000000, 0.0011563400000000 ] - [ -0.0003070900000000, 0.0000000000000000, -0.0000646500000000 ] - [ -0.0079290600000000, 0.0000000000000000, -0.0023944000000000 ] - [ -0.0031137100000000, 0.0000000000000000, -0.0004061900000000 ] - [ -0.0031857400000000, 0.0000000000000000, -0.0015267100000000 ] - [ -0.0024465700000000, 0.0000000000000000, -0.0008149400000000 ] - [ -0.0022410800000000, 0.0000000000000000, -0.0006540000000000 ] - [ -0.0022842400000000, 0.0000000000000000, -0.0007651100000000 ] - [ -0.0013874700000000, 0.0000000000000000, -0.0004626300000000 ] - [ -0.0029896200000000, 0.0000000000000000, -0.0009779000000000 ] - [ -0.0035359400000000, 0.0000000000000000, 0.0001131800000000 ] - [ -0.0067846300000000, -0.0005366300000000, -0.0015698600000000 ] - [ -0.4421988700000000, 0.0000000000000000, -0.1766830400000000 ] - [ -0.0022323000000000, 0.0005553600000000, 0.0015398500000000 ] - [ 0.0069956500000000, 0.0000000000000000, 0.0017476000000000 ] - [ -0.0020402700000000, 0.0000000000000000, -0.0005187600000000 ] - [ 0.0014420800000000, -0.0001337900000000, 0.0012452300000000 ] - [ -0.0002263500000000, 0.0000000000000000, 0.0046650900000000 ] - [ 0.0035990200000000, -0.0001408200000000, -0.0011827300000000 ] - [ 0.0014420800000000, 0.0001337900000000, 0.0012452300000000 ] - [ 0.0035990200000000, 0.0001408200000000, -0.0011827300000000 ] - [ 0.0037590400000000, 0.0013235000000000, 0.0026601900000000 ] - [ -0.0022323000000000, -0.0005553600000000, 0.0015398500000000 ] - [ -0.0016381800000000, -0.0006323100000000, -0.0022726100000000 ] - [ 0.0502734900000000, 0.0469012600000000, 0.0381560300000000 ] - [ -0.0007890100000000, 0.0000000000000000, -0.0009934600000000 ] - [ -0.0011440600000000, 0.0003264800000000, 0.0003835800000000 ] - [ 0.0015167400000000, -0.0000847000000000, 0.0004787700000000 ] - [ -0.0017544900000000, 0.0000281800000000, -0.0006029400000000 ] - [ 0.0502734900000000, -0.0469012600000000, 0.0381560300000000 ] - [ 0.0026354800000000, 0.0000000000000000, 0.0007480600000000 ] - [ -0.0049507900000000, 0.0000000000000000, 0.0020010000000000 ] - [ 0.0015167400000000, 0.0000847000000000, 0.0004787700000000 ] - [ 0.0010777300000000, 0.0000000000000000, 0.0010238100000000 ] - [ 0.0066531300000000, 0.0000000000000000, 0.0020095900000000 ] - [ -0.0016381800000000, 0.0006323100000000, -0.0022726100000000 ] - [ -0.0067846300000000, 0.0005366300000000, -0.0015698600000000 ] - [ -0.0017544900000000, -0.0000281800000000, -0.0006029400000000 ] - [ 0.0037590400000000, -0.0013235000000000, 0.0026601900000000 ] - [ -0.0061699900000000, 0.0000000000000000, -0.0025871900000000 ] - [ -0.0011440600000000, -0.0003264800000000, 0.0003835800000000 ] - [ 0.0019172300000000, -0.0004022500000000, 0.0003633500000000 ] - [ 0.0018865000000000, 0.0000000000000000, 0.0002661000000000 ] - [ 0.0015702400000000, -0.0003389700000000, -0.0000762600000000 ] - [ 0.0037530600000000, 0.0000000000000000, 0.0005753200000000 ] - [ 0.0016858100000000, 0.0000000000000000, 0.0006363200000000 ] - [ 0.0009962800000000, -0.0002906600000000, 0.0000083700000000 ] - [ 0.0016568800000000, 0.0000000000000000, 0.0005351000000000 ] - [ 0.0031776000000000, 0.0020492900000000, 0.0012135200000000 ] - [ 0.0009962800000000, 0.0002906600000000, 0.0000083700000000 ] - [ 0.0031776000000000, -0.0020492900000000, 0.0012135200000000 ] - [ 0.0020155500000000, 0.0000768100000000, -0.0001987900000000 ] - [ 0.0015702400000000, 0.0003389700000000, -0.0000762600000000 ] - [ 0.0016263200000000, 0.0001827600000000, 0.0005972600000000 ] - [ 0.0011971500000000, 0.0005833300000000, 0.0002180700000000 ] - [ 0.0015099600000000, 0.0000000000000000, 0.0008704800000000 ] - [ 0.0018816400000000, -0.0003152800000000, 0.0006366500000000 ] - [ 0.0001018300000000, -0.0002237300000000, -0.0000388900000000 ] - [ 0.0007555400000000, -0.0002149000000000, 0.0002555600000000 ] - [ 0.0011971500000000, -0.0005833300000000, 0.0002180700000000 ] - [ -0.0005004300000000, 0.0000000000000000, -0.0019006500000000 ] - [ 0.0035440200000000, 0.0000000000000000, 0.0000118700000000 ] - [ 0.0001018300000000, 0.0002237300000000, -0.0000388900000000 ] - [ 0.0004773700000000, 0.0000000000000000, -0.0004637800000000 ] - [ 0.0027536000000000, 0.0000000000000000, 0.0006202300000000 ] - [ 0.0016263200000000, -0.0001827600000000, 0.0005972600000000 ] - [ 0.0019172300000000, 0.0004022500000000, 0.0003633500000000 ] - [ 0.0007555400000000, 0.0002149000000000, 0.0002555600000000 ] - [ 0.0020155500000000, -0.0000768100000000, -0.0001987900000000 ] - [ 0.0024118000000000, 0.0000000000000000, -0.0002594900000000 ] - [ 0.0018816400000000, 0.0003152800000000, 0.0006366500000000 ] - [ 0.0002906100000000, 0.0000000000000000, -0.0004023900000000 ] - [ 0.0000565500000000, 0.0000000000000000, 0.0011368200000000 ] - [ -0.0010645100000000, 0.0000000000000000, 0.0010445800000000 ] - [ -0.0028566000000000, 0.0000000000000000, 0.0032803300000000 ] - [ 0.0005019200000000, 0.0000000000000000, 0.0007862600000000 ] - [ 0.0007174200000000, 0.0000000000000000, 0.0002736900000000 ] - [ 0.0007631900000000, 0.0000000000000000, 0.0003604200000000 ] - [ 0.0006943600000000, 0.0000000000000000, -0.0002410000000000 ]- atom: 42 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0017292600000000, 0.0000000000000000, 0.0014105000000000 ] - [ -0.0002511400000000, 0.0000000000000000, 0.0021426000000000 ] - [ -0.0049294600000000, 0.0000000000000000, 0.0000761300000000 ] - [ -0.0094158800000000, 0.0000000000000000, 0.0025636700000000 ] - [ -0.0181962700000000, 0.0000000000000000, -0.0019261800000000 ] - [ 0.0078155300000000, 0.0000000000000000, -0.0046370200000000 ] - [ 0.0017960400000000, 0.0000000000000000, 0.0008876100000000 ] - [ 0.0013215500000000, 0.0000000000000000, 0.0003327100000000 ] - [ 0.0023719300000000, 0.0000000000000000, 0.0002883100000000 ] - [ 0.0031316200000000, 0.0000000000000000, -0.0001501900000000 ] - [ 0.0027788100000000, 0.0000000000000000, 0.0000022300000000 ] - [ 0.0036314700000000, 0.0000000000000000, 0.0003953700000000 ] - [ 0.0025093800000000, 0.0000000000000000, 0.0048768000000000 ] - [ -0.0088049000000000, 0.0000000000000000, 0.0211037900000000 ] - [ 0.0006799100000000, 0.0000000000000000, -0.0040199300000000 ] - [ -0.0050564400000000, 0.0000000000000000, -0.0001564300000000 ] - [ 0.0027490600000000, 0.0000000000000000, -0.0019469800000000 ] - [ 0.0039057400000000, 0.0000000000000000, -0.0000548100000000 ] - [ 0.0039914100000000, 0.0000000000000000, 0.0020072100000000 ] - [ 0.0033298600000000, 0.0000000000000000, 0.0014866600000000 ] - [ 0.0020337900000000, 0.0000000000000000, 0.0007026700000000 ] - [ 0.0037889100000000, 0.0000000000000000, 0.0011550700000000 ] - [ -0.0052633000000000, 0.0000000000000000, 0.0020865800000000 ] - [ 0.0066655900000000, 0.0000000000000000, 0.0031089700000000 ] - [ -0.0002930500000000, 0.0000000000000000, -0.0010479300000000 ] - [ 0.0028943100000000, 0.0000000000000000, 0.0013801300000000 ] - [ -0.3371612500000000, 0.0000000000000000, -0.1297018500000000 ] - [ -0.0003738100000000, 0.0000000000000000, -0.0002764600000000 ] - [ -0.0040107600000000, 0.0000000000000000, -0.0009996400000000 ] - [ -0.0077232900000000, 0.0000000000000000, -0.0006126100000000 ] - [ 0.0004461900000000, 0.0000000000000000, 0.0000696700000000 ] - [ 0.0061228000000000, 0.0000000000000000, 0.0018969600000000 ] - [ 0.0027272200000000, 0.0000000000000000, -0.0001355300000000 ] - [ 0.0021284100000000, 0.0000000000000000, 0.0006259600000000 ] - [ 0.0042829000000000, 0.0000000000000000, 0.0013231400000000 ] - [ 0.0020890100000000, 0.0000000000000000, 0.0006436700000000 ] - [ 0.0033148800000000, 0.0000000000000000, 0.0016539300000000 ] - [ 0.0033083600000000, 0.0000000000000000, 0.0011203800000000 ] - [ 0.0010778300000000, 0.0000000000000000, 0.0003237000000000 ] - [ 0.0039176700000000, 0.0000000000000000, 0.0004284000000000 ] - [ 0.0066414800000000, 0.0005553800000000, 0.0019300300000000 ] - [ 0.4649754300000000, 0.0000000000000000, 0.1919209200000000 ] - [ 0.0023404400000000, -0.0005531000000000, -0.0018774500000000 ] - [ -0.0066742300000000, 0.0000000000000000, -0.0016611300000000 ] - [ 0.0022627700000000, 0.0000000000000000, 0.0007317100000000 ] - [ -0.0019455100000000, 0.0000679400000000, -0.0012445600000000 ] - [ 0.0001215200000000, 0.0000000000000000, -0.0041542900000000 ] - [ -0.0035302600000000, 0.0010636900000000, 0.0011863000000000 ] - [ -0.0019455100000000, -0.0000679400000000, -0.0012445600000000 ] - [ -0.0035302600000000, -0.0010636900000000, 0.0011863000000000 ] - [ -0.0030827900000000, -0.0015365800000000, -0.0024377500000000 ] - [ 0.0023404400000000, 0.0005531000000000, -0.0018774500000000 ] - [ 0.0016234700000000, -0.0002934900000000, 0.0022669600000000 ] - [ -0.0517349300000000, -0.0476029800000000, -0.0392283900000000 ] - [ 0.0005630700000000, 0.0000000000000000, 0.0007647100000000 ] - [ 0.0024639700000000, -0.0004402600000000, 0.0001386600000000 ] - [ -0.0010328500000000, 0.0001536600000000, -0.0004897500000000 ] - [ 0.0004344800000000, 0.0000873100000000, 0.0000628000000000 ] - [ -0.0517349300000000, 0.0476029800000000, -0.0392283900000000 ] - [ -0.0029885300000000, 0.0000000000000000, -0.0008214100000000 ] - [ 0.0068023500000000, 0.0000000000000000, -0.0017927600000000 ] - [ -0.0010328500000000, -0.0001536600000000, -0.0004897500000000 ] - [ -0.0009812200000000, 0.0000000000000000, -0.0015479600000000 ] - [ -0.0055761100000000, 0.0000000000000000, -0.0016109900000000 ] - [ 0.0016234700000000, 0.0002934900000000, 0.0022669600000000 ] - [ 0.0066414800000000, -0.0005553800000000, 0.0019300300000000 ] - [ 0.0004344800000000, -0.0000873100000000, 0.0000628000000000 ] - [ -0.0030827900000000, 0.0015365800000000, -0.0024377500000000 ] - [ 0.0042562800000000, 0.0000000000000000, 0.0022894900000000 ] - [ 0.0024639700000000, 0.0004402600000000, 0.0001386600000000 ] - [ -0.0020623700000000, 0.0004103300000000, -0.0000163100000000 ] - [ -0.0029767700000000, 0.0000000000000000, -0.0006557100000000 ] - [ -0.0014256200000000, 0.0003349200000000, -0.0002713400000000 ] - [ -0.0033961300000000, 0.0000000000000000, -0.0004935400000000 ] - [ -0.0014691600000000, 0.0000000000000000, -0.0004159800000000 ] - [ -0.0014858800000000, 0.0002230100000000, -0.0000025000000000 ] - [ -0.0017635900000000, 0.0000000000000000, -0.0000132500000000 ] - [ -0.0031403000000000, -0.0011254500000000, -0.0012064200000000 ] - [ -0.0014858800000000, -0.0002230100000000, -0.0000025000000000 ] - [ -0.0031403000000000, 0.0011254500000000, -0.0012064200000000 ] - [ -0.0013319000000000, -0.0002832500000000, 0.0004176100000000 ] - [ -0.0014256200000000, -0.0003349200000000, -0.0002713400000000 ] - [ -0.0016720500000000, -0.0011119900000000, -0.0006022600000000 ] - [ -0.0018819000000000, -0.0003790000000000, -0.0004327900000000 ] - [ -0.0017297700000000, 0.0000000000000000, -0.0010935700000000 ] - [ -0.0005656500000000, 0.0002044100000000, -0.0001061100000000 ] - [ 0.0003955700000000, 0.0002919000000000, 0.0000260000000000 ] - [ -0.0020780900000000, 0.0003317200000000, -0.0007928400000000 ] - [ -0.0018819000000000, 0.0003790000000000, -0.0004327900000000 ] - [ 0.0001878900000000, 0.0000000000000000, 0.0018381200000000 ] - [ -0.0016440600000000, 0.0000000000000000, 0.0002815400000000 ] - [ 0.0003955700000000, -0.0002919000000000, 0.0000260000000000 ] - [ -0.0003656700000000, 0.0000000000000000, -0.0000587400000000 ] - [ -0.0016575000000000, 0.0000000000000000, -0.0002243000000000 ] - [ -0.0016720500000000, 0.0011119900000000, -0.0006022600000000 ] - [ -0.0020623700000000, -0.0004103300000000, -0.0000163100000000 ] - [ -0.0020780900000000, -0.0003317200000000, -0.0007928400000000 ] - [ -0.0013319000000000, 0.0002832500000000, 0.0004176100000000 ] - [ -0.0043133000000000, 0.0000000000000000, -0.0000300300000000 ] - [ -0.0005656500000000, -0.0002044100000000, -0.0001061100000000 ] - [ -0.0001837400000000, 0.0000000000000000, 0.0000905500000000 ] - [ 0.0003381100000000, 0.0000000000000000, -0.0008009100000000 ] - [ 0.0009613200000000, 0.0000000000000000, -0.0007566000000000 ] - [ 0.0024706800000000, 0.0000000000000000, -0.0036534400000000 ] - [ -0.0003946500000000, 0.0000000000000000, -0.0010986000000000 ] - [ -0.0003166000000000, 0.0000000000000000, 0.0000627600000000 ] - [ -0.0008736500000000, 0.0000000000000000, -0.0000585800000000 ] - [ -0.0010947100000000, 0.0000000000000000, -0.0001051000000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000040700000000, -0.0000099400000000, 0.0001443900000000 ] - [ 0.0000012700000000, -0.0000054700000000, -0.0000100400000000 ] - [ 0.0000184200000000, 0.0001209800000000, -0.0001716300000000 ] - [ -0.0001657600000000, 0.0010473900000000, 0.0000495200000000 ] - [ 0.0001041900000000, 0.0046664600000000, 0.0002001100000000 ] - [ -0.0000273600000000, 0.0019838600000000, 0.0000177800000000 ] - [ -0.0000133100000000, -0.0000000900000000, 0.0001541600000000 ] - [ -0.0000055700000000, -0.0000008600000000, -0.0000044000000000 ] - [ -0.0000001400000000, -0.0000000600000000, -0.0001615400000000 ] - [ -0.0001476500000000, 0.0000104500000000, 0.0000124300000000 ] - [ 0.0001341300000000, 0.0000001400000000, -0.0000096200000000 ] - [ -0.0000073200000000, 0.0000215100000000, 0.0000031000000000 ] - [ 0.0003333600000000, -0.0000505300000000, -0.0004884800000000 ] - [ -0.0003476700000000, -0.0075695600000000, 0.0004166200000000 ] - [ -0.0000365800000000, 0.0000317700000000, -0.0006122500000000 ] - [ 0.0000624700000000, 0.0000751800000000, 0.0005961800000000 ] - [ 0.0003536100000000, 0.0000205100000000, -0.0004816400000000 ] - [ -0.0003615800000000, -0.0000042800000000, 0.0004873100000000 ] - [ -0.0000515600000000, -0.0000051500000000, -0.0006108400000000 ] - [ 0.0000278900000000, 0.0000003500000000, 0.0006061000000000 ] - [ 0.0000630100000000, 0.0000010200000000, 0.0000020600000000 ] - [ -0.0009126300000000, -0.0002606500000000, -0.0002540500000000 ] - [ -0.0001863400000000, 0.0002612300000000, -0.0002870200000000 ] - [ -0.0005308600000000, 0.0012725500000000, -0.0004484500000000 ] - [ 0.0009278500000000, -0.0008787500000000, 0.0002617000000000 ] - [ -0.0000900500000000, 0.0002142800000000, -0.0000108100000000 ] - [ 0.0013666600000000, 0.0836997600000000, 0.0009153200000000 ] - [ 0.0009569100000000, 0.0000335800000000, 0.0003253800000000 ] - [ -0.0009276500000000, 0.0000174900000000, -0.0003189400000000 ] - [ 0.0002193800000000, -0.0027624100000000, 0.0002761300000000 ] - [ 0.0000708900000000, 0.0000202700000000, 0.0000030800000000 ] - [ -0.0009365400000000, 0.0005251600000000, -0.0002604800000000 ] - [ -0.0001971100000000, -0.0000011400000000, -0.0002717600000000 ] - [ -0.0005369600000000, -0.0001324500000000, -0.0004530300000000 ] - [ 0.0009083500000000, 0.0000113000000000, 0.0002537700000000 ] - [ -0.0000794100000000, 0.0000121500000000, -0.0000075300000000 ] - [ 0.0005133900000000, -0.0000046700000000, 0.0004429100000000 ] - [ 0.0009478200000000, -0.0000001700000000, 0.0003234400000000 ] - [ -0.0009576600000000, -0.0000022600000000, -0.0003266300000000 ] - [ 0.0001783900000000, 0.0000021600000000, 0.0002713900000000 ] - [ -0.0006128700000000, 0.0012965800000000, 0.0014067800000000 ] - [ -0.0009071300000000, -0.1131881500000000, -0.0006799000000000 ] - [ 0.0001993600000000, -0.0001074800000000, -0.0001627900000000 ] - [ 0.0001972700000000, 0.0011638700000000, 0.0000434500000000 ] - [ 0.0000946300000000, 0.0000021400000000, 0.0001095300000000 ] - [ -0.0001351200000000, -0.0000901800000000, -0.0000384700000000 ] - [ -0.0000500900000000, -0.0001267800000000, 0.0002764200000000 ] - [ 0.0002240600000000, 0.0004910000000000, -0.0000661700000000 ] - [ -0.0003459200000000, -0.0000334900000000, 0.0000533600000000 ] - [ -0.0001642400000000, -0.0004361300000000, 0.0000671900000000 ] - [ 0.0007151100000000, 0.0000109000000000, 0.0003703500000000 ] - [ -0.0000406500000000, -0.0001118100000000, -0.0001687000000000 ] - [ 0.0000285300000000, -0.0001524300000000, -0.0004637400000000 ] - [ 0.0555172100000000, 0.0116423800000000, 0.0278613700000000 ] - [ -0.0000987100000000, -0.0000050900000000, -0.0001099900000000 ] - [ 0.0006430700000000, -0.0000563900000000, 0.0002674600000000 ] - [ 0.0002513600000000, 0.0000263800000000, -0.0000004600000000 ] - [ -0.0006371200000000, 0.0000390800000000, -0.0002675800000000 ] - [ -0.0566189600000000, 0.0111988600000000, -0.0282715500000000 ] - [ -0.0001684300000000, 0.0000127300000000, -0.0000358200000000 ] - [ 0.0009333000000000, 0.0006921100000000, 0.0001633000000000 ] - [ 0.0002511900000000, -0.0000278800000000, 0.0000013700000000 ] - [ 0.0000604800000000, -0.0000004400000000, -0.0002576300000000 ] - [ 0.0005778100000000, 0.0025285400000000, 0.0002011200000000 ] - [ -0.0001074100000000, 0.0007753200000000, 0.0004420600000000 ] - [ 0.0004277000000000, 0.0012997800000000, -0.0010583300000000 ] - [ -0.0006609700000000, -0.0000627400000000, -0.0002558200000000 ] - [ -0.0000163000000000, 0.0002149300000000, -0.0001474500000000 ] - [ -0.0009633700000000, 0.0004135600000000, -0.0001497900000000 ] - [ 0.0006441000000000, 0.0000453000000000, 0.0002646400000000 ] - [ -0.0000712100000000, -0.0000026100000000, 0.0001762100000000 ] - [ -0.0005471700000000, 0.0000005700000000, -0.0001989500000000 ] - [ 0.0000775500000000, 0.0000002200000000, -0.0001779900000000 ] - [ 0.0001814200000000, 0.0000544000000000, 0.0000364000000000 ] - [ 0.0001014200000000, 0.0000002200000000, 0.0001102700000000 ] - [ -0.0002400900000000, -0.0000332900000000, -0.0000020900000000 ] - [ -0.0000511500000000, -0.0000014600000000, 0.0002622100000000 ] - [ 0.0002286700000000, 0.0005553300000000, 0.0000874500000000 ] - [ -0.0002496900000000, 0.0000247400000000, 0.0000058700000000 ] - [ -0.0001552400000000, -0.0003853700000000, -0.0000753700000000 ] - [ 0.0004529600000000, -0.0000894900000000, 0.0000782200000000 ] - [ 0.0000750900000000, -0.0000038900000000, -0.0001735700000000 ] - [ -0.0000204000000000, -0.0004634700000000, 0.0000016900000000 ] - [ -0.0003389400000000, 0.0001043200000000, -0.0001100200000000 ] - [ -0.0000931600000000, -0.0000003700000000, -0.0001047100000000 ] - [ 0.0006489900000000, -0.0000506700000000, 0.0002641600000000 ] - [ 0.0002547600000000, 0.0000154400000000, -0.0000070400000000 ] - [ -0.0006430900000000, 0.0000491700000000, -0.0002615700000000 ] - [ -0.0003420200000000, -0.0001027000000000, -0.0001098300000000 ] - [ -0.0001828900000000, 0.0000409400000000, -0.0000452200000000 ] - [ 0.0009531200000000, -0.0000003800000000, 0.0001456200000000 ] - [ 0.0002360200000000, -0.0000369300000000, 0.0000024900000000 ] - [ 0.0000524700000000, -0.0000027500000000, -0.0002641000000000 ] - [ 0.0005556100000000, 0.0000277300000000, 0.0001997000000000 ] - [ -0.0000244200000000, 0.0004640800000000, -0.0000014200000000 ] - [ -0.0000689300000000, 0.0000019700000000, 0.0001760900000000 ] - [ -0.0006440300000000, -0.0000513200000000, -0.0002607500000000 ] - [ 0.0002423900000000, 0.0001138800000000, 0.0001378600000000 ] - [ -0.0009375300000000, 0.0000042900000000, -0.0001459200000000 ] - [ 0.0006496500000000, 0.0000519200000000, 0.0002636800000000 ] - [ 0.0000610800000000, 0.0000006700000000, -0.0001487500000000 ] - [ 0.0002111800000000, -0.0000037000000000, 0.0001705800000000 ] - [ -0.0000630900000000, -0.0000004200000000, 0.0001556800000000 ] - [ -0.0002154900000000, -0.0000939700000000, -0.0001579400000000 ] - [ 0.0000613400000000, -0.0000032200000000, -0.0001481900000000 ] - [ 0.0002087200000000, 0.0000004400000000, 0.0001694300000000 ] - [ -0.0000592400000000, -0.0000000100000000, 0.0001537800000000 ] - [ -0.0002067800000000, 0.0000000700000000, -0.0001718800000000 ]- atom: 42 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0008709300000000, 0.0000000000000000, -0.0030001600000000 ] - [ 0.0004700100000000, 0.0000000000000000, -0.0014762000000000 ] - [ 0.0005225800000000, 0.0000000000000000, -0.0032416000000000 ] - [ -0.0090089000000000, 0.0000000000000000, 0.0097890800000000 ] - [ 0.0021889300000000, 0.0000000000000000, 0.0084226700000000 ] - [ -0.0022070600000000, 0.0000000000000000, 0.0029782700000000 ] - [ -0.0001349200000000, 0.0000000000000000, -0.0002343200000000 ] - [ -0.0004565900000000, 0.0000000000000000, -0.0008844900000000 ] - [ -0.0003647300000000, 0.0000000000000000, -0.0005177300000000 ] - [ -0.0008318300000000, 0.0000000000000000, 0.0002433300000000 ] - [ -0.0002496500000000, 0.0000000000000000, 0.0002620400000000 ] - [ -0.0003470000000000, 0.0000000000000000, 0.0009029300000000 ] - [ -0.0041019700000000, 0.0000000000000000, 0.0002452400000000 ] - [ -0.0013442800000000, 0.0000000000000000, -0.0064186200000000 ] - [ 0.0009853500000000, 0.0000000000000000, -0.0025625500000000 ] - [ 0.0054201000000000, 0.0000000000000000, -0.0025246600000000 ] - [ 0.0009222100000000, 0.0000000000000000, 0.0001644800000000 ] - [ -0.0004978300000000, 0.0000000000000000, 0.0003652000000000 ] - [ -0.0010555500000000, 0.0000000000000000, -0.0017584600000000 ] - [ -0.0009787100000000, 0.0000000000000000, 0.0004680900000000 ] - [ -0.0013112000000000, 0.0000000000000000, -0.0005105100000000 ] - [ 0.0001938200000000, 0.0000000000000000, 0.0001577800000000 ] - [ -0.0084934000000000, 0.0000000000000000, -0.0005882600000000 ] - [ -0.0013447400000000, 0.0000000000000000, -0.0004652900000000 ] - [ 0.0041338300000000, 0.0000000000000000, 0.0018526600000000 ] - [ -0.0010296800000000, 0.0000000000000000, -0.0006359900000000 ] - [ 0.0972211000000000, 0.0000000000000000, 0.1302264700000000 ] - [ 0.0007279600000000, 0.0000000000000000, 0.0000790900000000 ] - [ -0.0000589000000000, 0.0000000000000000, -0.0003052700000000 ] - [ 0.0033603500000000, 0.0000000000000000, 0.0007394500000000 ] - [ 0.0008911300000000, 0.0000000000000000, 0.0002675600000000 ] - [ -0.0034060600000000, 0.0000000000000000, -0.0009709500000000 ] - [ -0.0005479300000000, 0.0000000000000000, -0.0002797000000000 ] - [ -0.0008586900000000, 0.0000000000000000, -0.0005479500000000 ] - [ 0.0001197400000000, 0.0000000000000000, 0.0000063900000000 ] - [ -0.0001890900000000, 0.0000000000000000, -0.0000682700000000 ] - [ 0.0002771300000000, 0.0000000000000000, 0.0003604200000000 ] - [ 0.0004376100000000, 0.0000000000000000, 0.0001244100000000 ] - [ -0.0014345100000000, 0.0000000000000000, -0.0005016200000000 ] - [ -0.0004958300000000, 0.0000000000000000, 0.0002532800000000 ] - [ -0.0010236900000000, 0.0006350800000000, 0.0016039600000000 ] - [ -0.1450356600000000, 0.0000000000000000, -0.1310443300000000 ] - [ 0.0028369300000000, -0.0008145900000000, 0.0006888500000000 ] - [ 0.0030947800000000, 0.0000000000000000, 0.0007436500000000 ] - [ -0.0007080800000000, 0.0000000000000000, 0.0003519700000000 ] - [ 0.0003777400000000, -0.0001130400000000, 0.0006246200000000 ] - [ 0.0003009400000000, 0.0000000000000000, 0.0010604600000000 ] - [ -0.0010908100000000, 0.0007149000000000, 0.0001979900000000 ] - [ 0.0003777400000000, 0.0001130400000000, 0.0006246200000000 ] - [ -0.0010908100000000, -0.0007149000000000, 0.0001979900000000 ] - [ 0.0006573900000000, -0.0000660600000000, -0.0009459200000000 ] - [ 0.0028369300000000, 0.0008145900000000, 0.0006888500000000 ] - [ -0.0024461100000000, -0.0008478000000000, -0.0011397900000000 ] - [ 0.0300360000000000, 0.0154260500000000, -0.0114706100000000 ] - [ 0.0000237200000000, 0.0000000000000000, 0.0002159300000000 ] - [ 0.0001091100000000, 0.0001213400000000, 0.0013824500000000 ] - [ 0.0010892900000000, -0.0001469900000000, 0.0003372000000000 ] - [ -0.0007204400000000, -0.0000963600000000, 0.0005676800000000 ] - [ 0.0300360000000000, -0.0154260500000000, -0.0114706100000000 ] - [ 0.0008223500000000, 0.0000000000000000, -0.0004165700000000 ] - [ 0.0026637000000000, 0.0000000000000000, 0.0126731200000000 ] - [ 0.0010892900000000, 0.0001469900000000, 0.0003372000000000 ] - [ 0.0012790500000000, 0.0000000000000000, 0.0000348700000000 ] - [ 0.0018389000000000, 0.0000000000000000, -0.0028601200000000 ] - [ -0.0024461100000000, 0.0008478000000000, -0.0011397900000000 ] - [ -0.0010236900000000, -0.0006350800000000, 0.0016039600000000 ] - [ -0.0007204400000000, 0.0000963600000000, 0.0005676800000000 ] - [ 0.0006573900000000, 0.0000660600000000, -0.0009459200000000 ] - [ -0.0034096100000000, 0.0000000000000000, 0.0000174600000000 ] - [ 0.0001091100000000, -0.0001213400000000, 0.0013824500000000 ] - [ 0.0002353400000000, -0.0001056500000000, 0.0002331300000000 ] - [ -0.0002882400000000, 0.0000000000000000, -0.0002783200000000 ] - [ 0.0001853700000000, -0.0000824400000000, -0.0001983300000000 ] - [ -0.0004899500000000, 0.0000000000000000, -0.0004156800000000 ] - [ 0.0004893000000000, 0.0000000000000000, 0.0002439000000000 ] - [ -0.0002730200000000, -0.0000933900000000, 0.0002129200000000 ] - [ 0.0000551100000000, 0.0000000000000000, 0.0002865900000000 ] - [ 0.0011099600000000, 0.0010918000000000, 0.0004082500000000 ] - [ -0.0002730200000000, 0.0000933900000000, 0.0002129200000000 ] - [ 0.0011099600000000, -0.0010918000000000, 0.0004082500000000 ] - [ 0.0006714400000000, -0.0002516100000000, -0.0003093200000000 ] - [ 0.0001853700000000, 0.0000824400000000, -0.0001983300000000 ] - [ 0.0003235800000000, -0.0003016800000000, -0.0000154700000000 ] - [ -0.0002222500000000, 0.0001211000000000, -0.0001828300000000 ] - [ 0.0002244700000000, 0.0000000000000000, 0.0002548300000000 ] - [ 0.0009067400000000, -0.0001308800000000, 0.0004149200000000 ] - [ -0.0005262900000000, -0.0000628100000000, 0.0000585200000000 ] - [ -0.0003413500000000, -0.0000214700000000, -0.0000543000000000 ] - [ -0.0002222500000000, -0.0001211000000000, -0.0001828300000000 ] - [ -0.0025140100000000, 0.0000000000000000, -0.0015732700000000 ] - [ 0.0013156200000000, 0.0000000000000000, 0.0000517300000000 ] - [ -0.0005262900000000, 0.0000628100000000, 0.0000585200000000 ] - [ -0.0005039800000000, 0.0000000000000000, -0.0005329500000000 ] - [ 0.0007894200000000, 0.0000000000000000, 0.0001658400000000 ] - [ 0.0003235800000000, 0.0003016800000000, -0.0000154700000000 ] - [ 0.0002353400000000, 0.0001056500000000, 0.0002331300000000 ] - [ -0.0003413500000000, 0.0000214700000000, -0.0000543000000000 ] - [ 0.0006714400000000, 0.0002516100000000, -0.0003093200000000 ] - [ -0.0002949400000000, 0.0000000000000000, -0.0001659700000000 ] - [ 0.0009067400000000, 0.0001308800000000, 0.0004149200000000 ] - [ 0.0002365200000000, 0.0000000000000000, 0.0007430800000000 ] - [ 0.0008617800000000, 0.0000000000000000, 0.0010205000000000 ] - [ -0.0005159300000000, 0.0000000000000000, 0.0015341900000000 ] - [ -0.0004881500000000, 0.0000000000000000, 0.0014683600000000 ] - [ 0.0000148300000000, 0.0000000000000000, 0.0003933400000000 ] - [ 0.0001428800000000, 0.0000000000000000, 0.0003538300000000 ] - [ 0.0001413000000000, 0.0000000000000000, 0.0004015500000000 ] - [ -0.0000878700000000, 0.0000000000000000, 0.0000279600000000 ]- atom: 42 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0008388500000000, 0.0000000000000000, 0.0033083300000000 ] - [ -0.0004665100000000, 0.0000000000000000, 0.0014572100000000 ] - [ -0.0004634800000000, 0.0000000000000000, 0.0029091800000000 ] - [ 0.0090213200000000, 0.0000000000000000, -0.0098551100000000 ] - [ -0.0019222600000000, 0.0000000000000000, -0.0083032500000000 ] - [ 0.0021810600000000, 0.0000000000000000, -0.0029362300000000 ] - [ 0.0000930100000000, 0.0000000000000000, 0.0005432500000000 ] - [ 0.0004504200000000, 0.0000000000000000, 0.0008800300000000 ] - [ 0.0003835400000000, 0.0000000000000000, 0.0001933100000000 ] - [ 0.0005334300000000, 0.0000000000000000, -0.0002271300000000 ] - [ 0.0005280000000000, 0.0000000000000000, -0.0002716900000000 ] - [ 0.0003386700000000, 0.0000000000000000, -0.0009015300000000 ] - [ 0.0047848000000000, 0.0000000000000000, -0.0012120500000000 ] - [ 0.0006924500000000, 0.0000000000000000, 0.0072775400000000 ] - [ -0.0010791000000000, 0.0000000000000000, 0.0013421800000000 ] - [ -0.0052832700000000, 0.0000000000000000, 0.0037249200000000 ] - [ -0.0002269500000000, 0.0000000000000000, -0.0011226500000000 ] - [ -0.0002198600000000, 0.0000000000000000, 0.0005976000000000 ] - [ 0.0009438600000000, 0.0000000000000000, 0.0005286200000000 ] - [ 0.0010561800000000, 0.0000000000000000, 0.0007553400000000 ] - [ 0.0014530500000000, 0.0000000000000000, 0.0005193200000000 ] - [ -0.0020468900000000, 0.0000000000000000, -0.0006738100000000 ] - [ 0.0080827600000000, 0.0000000000000000, 0.0001033900000000 ] - [ 0.0003093900000000, 0.0000000000000000, -0.0004179100000000 ] - [ -0.0022673000000000, 0.0000000000000000, -0.0013269000000000 ] - [ 0.0008651100000000, 0.0000000000000000, 0.0006190000000000 ] - [ -0.0989985300000000, 0.0000000000000000, -0.1291118300000000 ] - [ 0.0011921000000000, 0.0000000000000000, 0.0005753000000000 ] - [ -0.0018281800000000, 0.0000000000000000, -0.0003422800000000 ] - [ -0.0029574900000000, 0.0000000000000000, -0.0002025300000000 ] - [ -0.0007411700000000, 0.0000000000000000, -0.0002575300000000 ] - [ 0.0015238000000000, 0.0000000000000000, 0.0004468400000000 ] - [ 0.0001647500000000, 0.0000000000000000, -0.0002624300000000 ] - [ -0.0002286000000000, 0.0000000000000000, -0.0003641000000000 ] - [ 0.0017077800000000, 0.0000000000000000, 0.0005031400000000 ] - [ 0.0000270100000000, 0.0000000000000000, 0.0000523200000000 ] - [ 0.0007496600000000, 0.0000000000000000, 0.0005250000000000 ] - [ 0.0014702700000000, 0.0000000000000000, 0.0005260600000000 ] - [ -0.0004885400000000, 0.0000000000000000, -0.0001546900000000 ] - [ 0.0008418000000000, 0.0000000000000000, 0.0002887400000000 ] - [ 0.0008521100000000, -0.0006491400000000, -0.0012739900000000 ] - [ 0.1465209700000000, 0.0000000000000000, 0.1293730600000000 ] - [ -0.0026790600000000, 0.0008016800000000, -0.0010351100000000 ] - [ -0.0027074300000000, 0.0000000000000000, -0.0006624000000000 ] - [ 0.0008984200000000, 0.0000000000000000, -0.0001378500000000 ] - [ -0.0008595100000000, 0.0000533200000000, -0.0006109700000000 ] - [ -0.0004028700000000, 0.0000000000000000, -0.0005021100000000 ] - [ 0.0011544300000000, 0.0002141700000000, -0.0001984700000000 ] - [ -0.0008595100000000, -0.0000533200000000, -0.0006109700000000 ] - [ 0.0011544300000000, -0.0002141700000000, -0.0001984700000000 ] - [ 0.0000240400000000, -0.0001461800000000, 0.0011658700000000 ] - [ -0.0026790600000000, -0.0008016800000000, -0.0010351100000000 ] - [ 0.0023818300000000, -0.0000897100000000, 0.0011264300000000 ] - [ -0.0307175300000000, -0.0151972600000000, 0.0116778000000000 ] - [ -0.0002277200000000, 0.0000000000000000, -0.0004361700000000 ] - [ 0.0011901900000000, -0.0002271600000000, -0.0008504600000000 ] - [ -0.0005896800000000, 0.0002066700000000, -0.0003397000000000 ] - [ -0.0005851500000000, 0.0002006400000000, -0.0010969200000000 ] - [ -0.0307175300000000, 0.0151972600000000, 0.0116778000000000 ] - [ -0.0011615500000000, 0.0000000000000000, 0.0003456400000000 ] - [ -0.0007734700000000, 0.0000000000000000, -0.0121612700000000 ] - [ -0.0005896800000000, -0.0002066700000000, -0.0003397000000000 ] - [ -0.0011651400000000, 0.0000000000000000, -0.0005547400000000 ] - [ -0.0007708800000000, 0.0000000000000000, 0.0032554300000000 ] - [ 0.0023818300000000, 0.0000897100000000, 0.0011264300000000 ] - [ 0.0008521100000000, 0.0006491400000000, -0.0012739900000000 ] - [ -0.0005851500000000, -0.0002006400000000, -0.0010969200000000 ] - [ 0.0000240400000000, 0.0001461800000000, 0.0011658700000000 ] - [ 0.0015007700000000, 0.0000000000000000, -0.0003150100000000 ] - [ 0.0011901900000000, 0.0002271600000000, -0.0008504600000000 ] - [ -0.0003775500000000, 0.0001108400000000, 0.0001169000000000 ] - [ -0.0007996000000000, 0.0000000000000000, -0.0001141400000000 ] - [ -0.0000326200000000, 0.0000763500000000, -0.0001504100000000 ] - [ 0.0008533900000000, 0.0000000000000000, 0.0004936500000000 ] - [ -0.0002812200000000, 0.0000000000000000, -0.0000256600000000 ] - [ -0.0002152300000000, 0.0000335600000000, -0.0002091400000000 ] - [ -0.0001529900000000, 0.0000000000000000, 0.0002382400000000 ] - [ -0.0010419200000000, -0.0001515600000000, -0.0003963300000000 ] - [ -0.0002152300000000, -0.0000335600000000, -0.0002091400000000 ] - [ -0.0010419200000000, 0.0001515600000000, -0.0003963300000000 ] - [ 0.0000172500000000, 0.0000442000000000, 0.0005236900000000 ] - [ -0.0000326200000000, -0.0000763500000000, -0.0001504100000000 ] - [ -0.0003667000000000, -0.0006271600000000, 0.0000157900000000 ] - [ -0.0004554000000000, 0.0000872500000000, -0.0000340600000000 ] - [ -0.0004184000000000, 0.0000000000000000, -0.0004652900000000 ] - [ 0.0003997300000000, 0.0000265500000000, 0.0001138600000000 ] - [ 0.0010157800000000, 0.0001196700000000, -0.0000644300000000 ] - [ -0.0009569100000000, 0.0001259000000000, -0.0004732100000000 ] - [ -0.0004554000000000, -0.0000872500000000, -0.0000340600000000 ] - [ 0.0021531300000000, 0.0000000000000000, 0.0014849000000000 ] - [ 0.0005838800000000, 0.0000000000000000, 0.0002419800000000 ] - [ 0.0010157800000000, -0.0001196700000000, -0.0000644300000000 ] - [ 0.0006067700000000, 0.0000000000000000, 0.0000059700000000 ] - [ 0.0003075200000000, 0.0000000000000000, 0.0002270200000000 ] - [ -0.0003667000000000, 0.0006271600000000, 0.0000157900000000 ] - [ -0.0003775500000000, -0.0001108400000000, 0.0001169000000000 ] - [ -0.0009569100000000, -0.0001259000000000, -0.0004732100000000 ] - [ 0.0000172500000000, -0.0000442000000000, 0.0005236900000000 ] - [ -0.0015845300000000, 0.0000000000000000, -0.0001256400000000 ] - [ 0.0003997300000000, -0.0000265500000000, 0.0001138600000000 ] - [ -0.0001125200000000, 0.0000000000000000, -0.0010500100000000 ] - [ -0.0004472200000000, 0.0000000000000000, -0.0006765600000000 ] - [ 0.0003887700000000, 0.0000000000000000, -0.0012218800000000 ] - [ 0.0000617400000000, 0.0000000000000000, -0.0017881500000000 ] - [ 0.0001085500000000, 0.0000000000000000, -0.0006951200000000 ] - [ 0.0002703100000000, 0.0000000000000000, -0.0000116200000000 ] - [ -0.0002585000000000, 0.0000000000000000, -0.0000967100000000 ] - [ -0.0003213300000000, 0.0000000000000000, -0.0003728200000000 ]- atom: 44 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0014702700000000, 0.0000000000000000, 0.0000644600000000 ] - [ 0.0059766200000000, 0.0000000000000000, 0.0015198300000000 ] - [ -0.0011495800000000, 0.0000000000000000, 0.0033124300000000 ] - [ -0.0046269100000000, 0.0000000000000000, -0.0006856500000000 ] - [ -0.0012941800000000, 0.0000000000000000, -0.0045094300000000 ] - [ 0.0185171400000000, 0.0000000000000000, 0.0026722100000000 ] - [ 0.0003189000000000, 0.0000000000000000, -0.0021628500000000 ] - [ -0.0026106600000000, 0.0000000000000000, -0.0004628200000000 ] - [ -0.0029886300000000, 0.0000000000000000, -0.0021320300000000 ] - [ -0.0097338300000000, 0.0000000000000000, 0.0052485400000000 ] - [ -0.0020582100000000, 0.0000000000000000, 0.0012607200000000 ] - [ -0.0030952600000000, 0.0000000000000000, -0.0001154600000000 ] - [ -0.0031786900000000, 0.0000000000000000, -0.0016028800000000 ] - [ 0.0090477200000000, 0.0000000000000000, 0.0004949300000000 ] - [ -0.0054085300000000, 0.0000000000000000, 0.0001421400000000 ] - [ 0.0037037800000000, 0.0000000000000000, 0.0005157400000000 ] - [ 0.0047564900000000, 0.0000000000000000, 0.0022007700000000 ] - [ -0.0064187300000000, 0.0000000000000000, 0.0004384100000000 ] - [ 0.0087233300000000, 0.0000000000000000, -0.0232100000000000 ] - [ -0.0031626300000000, 0.0000000000000000, -0.0000980900000000 ] - [ -0.0024374100000000, 0.0000000000000000, -0.0007922900000000 ] - [ -0.0048802900000000, 0.0000000000000000, -0.0014967900000000 ] - [ -0.0013478800000000, 0.0000000000000000, -0.0006056100000000 ] - [ -0.0042019100000000, 0.0000000000000000, -0.0020704900000000 ] - [ 0.0054520800000000, 0.0000000000000000, 0.0003829800000000 ] - [ 0.0100669300000000, 0.0000000000000000, 0.0035642800000000 ] - [ -0.0041429000000000, 0.0000000000000000, -0.0026602100000000 ] - [ -0.0013694000000000, 0.0000000000000000, -0.0003554700000000 ] - [ 0.0003908900000000, 0.0000000000000000, 0.0005485300000000 ] - [ -0.0068457700000000, 0.0000000000000000, -0.0000685200000000 ] - [ 0.0040698000000000, 0.0000000000000000, 0.0010120100000000 ] - [ 0.3210933100000000, 0.0000000000000000, 0.0828254200000000 ] - [ -0.0013502800000000, 0.0000000000000000, -0.0002512500000000 ] - [ 0.0009205900000000, 0.0000000000000000, 0.0014017600000000 ] - [ -0.0020841700000000, 0.0000000000000000, -0.0006595200000000 ] - [ -0.0035042900000000, 0.0000000000000000, -0.0011404300000000 ] - [ -0.0028766100000000, 0.0000000000000000, -0.0010529200000000 ] - [ -0.0017467900000000, 0.0000000000000000, -0.0008962300000000 ] - [ -0.0030162200000000, 0.0000000000000000, -0.0010352600000000 ] - [ -0.0080224300000000, 0.0000000000000000, 0.0004133100000000 ] - [ 0.0054248800000000, 0.0008782300000000, -0.0001227000000000 ] - [ 0.0062886700000000, 0.0000000000000000, 0.0032841600000000 ] - [ 0.0011128100000000, 0.0000886100000000, 0.0003298200000000 ] - [ -0.4779837500000000, 0.0000000000000000, -0.1319436800000000 ] - [ -0.0012616800000000, 0.0000000000000000, -0.0001752100000000 ] - [ -0.0088741600000000, -0.0009301300000000, -0.0035939100000000 ] - [ -0.0059008400000000, 0.0000000000000000, -0.0044988700000000 ] - [ 0.0021124200000000, 0.0011530100000000, 0.0003888700000000 ] - [ -0.0088741600000000, 0.0009301300000000, -0.0035939100000000 ] - [ 0.0021124200000000, -0.0011530100000000, 0.0003888700000000 ] - [ 0.0021617600000000, 0.0006176200000000, 0.0010010100000000 ] - [ 0.0011128100000000, -0.0000886100000000, 0.0003298200000000 ] - [ -0.0025374000000000, -0.0011075600000000, 0.0002183900000000 ] - [ 0.0061543800000000, 0.0070528000000000, 0.0053120100000000 ] - [ 0.0017809100000000, 0.0000000000000000, 0.0002326700000000 ] - [ 0.0002319200000000, 0.0003355400000000, -0.0004525300000000 ] - [ 0.0018124100000000, -0.0001905800000000, 0.0004112400000000 ] - [ 0.0007042100000000, -0.0002578400000000, -0.0003659400000000 ] - [ 0.0061543800000000, -0.0070528000000000, 0.0053120100000000 ] - [ 0.0024489900000000, 0.0000000000000000, 0.0002677300000000 ] - [ 0.0011189700000000, 0.0000000000000000, 0.0012642500000000 ] - [ 0.0018124100000000, 0.0001905800000000, 0.0004112400000000 ] - [ 0.0019295800000000, 0.0000000000000000, 0.0003397000000000 ] - [ 0.0033540900000000, 0.0000000000000000, 0.0014293300000000 ] - [ -0.0025374000000000, 0.0011075600000000, 0.0002183900000000 ] - [ 0.0054248800000000, -0.0008782300000000, -0.0001227000000000 ] - [ 0.0007042100000000, 0.0002578400000000, -0.0003659400000000 ] - [ 0.0021617600000000, -0.0006176200000000, 0.0010010100000000 ] - [ 0.0049643200000000, 0.0000000000000000, -0.0005999500000000 ] - [ 0.0002319200000000, -0.0003355400000000, -0.0004525300000000 ] - [ 0.0039936900000000, -0.0011396900000000, 0.0006410400000000 ] - [ 0.0030306300000000, 0.0000000000000000, -0.0005734100000000 ] - [ 0.0002514500000000, -0.0003621100000000, -0.0003384600000000 ] - [ 0.0037583500000000, 0.0000000000000000, 0.0002954500000000 ] - [ 0.0017926500000000, 0.0000000000000000, 0.0005424800000000 ] - [ 0.0019470900000000, -0.0003239600000000, 0.0005152300000000 ] - [ 0.0026998300000000, 0.0000000000000000, 0.0009330900000000 ] - [ 0.0607958000000000, 0.0507056600000000, 0.0318660900000000 ] - [ 0.0019470900000000, 0.0003239600000000, 0.0005152300000000 ] - [ 0.0607958000000000, -0.0507056600000000, 0.0318660900000000 ] - [ -0.0010133000000000, -0.0004869900000000, -0.0028619700000000 ] - [ 0.0002514500000000, 0.0003621100000000, -0.0003384600000000 ] - [ 0.0014539100000000, 0.0000586900000000, 0.0002999500000000 ] - [ 0.0013815300000000, 0.0007496900000000, 0.0001566300000000 ] - [ -0.0007715400000000, 0.0000000000000000, 0.0043482200000000 ] - [ 0.0016926800000000, -0.0004351800000000, 0.0009670800000000 ] - [ -0.0021447800000000, 0.0004280700000000, -0.0004113300000000 ] - [ 0.0008073700000000, -0.0000315400000000, 0.0011398700000000 ] - [ 0.0013815300000000, -0.0007496900000000, 0.0001566300000000 ] - [ -0.0053386900000000, 0.0000000000000000, 0.0004475900000000 ] - [ 0.0021616800000000, 0.0000000000000000, -0.0001593800000000 ] - [ -0.0021447800000000, -0.0004280700000000, -0.0004113300000000 ] - [ -0.0026997500000000, 0.0000000000000000, -0.0012501700000000 ] - [ 0.0002201800000000, 0.0000000000000000, -0.0021599700000000 ] - [ 0.0014539100000000, -0.0000586900000000, 0.0002999500000000 ] - [ 0.0039936900000000, 0.0011396900000000, 0.0006410400000000 ] - [ 0.0008073700000000, 0.0000315400000000, 0.0011398700000000 ] - [ -0.0010133000000000, 0.0004869900000000, -0.0028619700000000 ] - [ 0.0067606500000000, 0.0000000000000000, 0.0008998600000000 ] - [ 0.0016926800000000, 0.0004351800000000, 0.0009670800000000 ] - [ 0.0011749600000000, 0.0000000000000000, -0.0003415400000000 ] - [ 0.0010328100000000, 0.0000000000000000, 0.0002902900000000 ] - [ -0.0014690500000000, 0.0000000000000000, -0.0008956800000000 ] - [ -0.0001127300000000, 0.0000000000000000, -0.0072137200000000 ] - [ -0.0032729900000000, 0.0000000000000000, 0.0034019600000000 ] - [ -0.0008478600000000, 0.0000000000000000, 0.0008110900000000 ] - [ 0.0011002800000000, 0.0000000000000000, 0.0005834800000000 ] - [ 0.0010888700000000, 0.0000000000000000, 0.0002851800000000 ]- atom: 44 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0014448000000000, 0.0000000000000000, 0.0002666600000000 ] - [ -0.0059841700000000, 0.0000000000000000, -0.0015095100000000 ] - [ 0.0011850400000000, 0.0000000000000000, -0.0036144200000000 ] - [ 0.0043422200000000, 0.0000000000000000, 0.0006857500000000 ] - [ 0.0016084100000000, 0.0000000000000000, 0.0044881400000000 ] - [ -0.0185387300000000, 0.0000000000000000, -0.0026059000000000 ] - [ -0.0003606800000000, 0.0000000000000000, 0.0025055600000000 ] - [ 0.0026122700000000, 0.0000000000000000, 0.0004666200000000 ] - [ 0.0030291400000000, 0.0000000000000000, 0.0018175400000000 ] - [ 0.0094733400000000, 0.0000000000000000, -0.0052828600000000 ] - [ 0.0023388300000000, 0.0000000000000000, -0.0012778400000000 ] - [ 0.0030993600000000, 0.0000000000000000, 0.0001133200000000 ] - [ 0.0038923100000000, 0.0000000000000000, 0.0006361300000000 ] - [ -0.0087603100000000, 0.0000000000000000, -0.0002016200000000 ] - [ 0.0053229700000000, 0.0000000000000000, -0.0013680800000000 ] - [ -0.0036001500000000, 0.0000000000000000, 0.0007502000000000 ] - [ -0.0041120300000000, 0.0000000000000000, -0.0031327900000000 ] - [ 0.0057297700000000, 0.0000000000000000, 0.0005260400000000 ] - [ -0.0088467800000000, 0.0000000000000000, 0.0220893900000000 ] - [ 0.0032479700000000, 0.0000000000000000, 0.0013248600000000 ] - [ 0.0025876100000000, 0.0000000000000000, 0.0008043100000000 ] - [ 0.0030507100000000, 0.0000000000000000, 0.0009853700000000 ] - [ 0.0009973100000000, 0.0000000000000000, 0.0000645000000000 ] - [ 0.0031494900000000, 0.0000000000000000, 0.0011753100000000 ] - [ -0.0035136100000000, 0.0000000000000000, 0.0001569500000000 ] - [ -0.0101219500000000, 0.0000000000000000, -0.0035422000000000 ] - [ 0.0052279200000000, 0.0000000000000000, 0.0035703700000000 ] - [ 0.0032840200000000, 0.0000000000000000, 0.0010082700000000 ] - [ -0.0022804600000000, 0.0000000000000000, -0.0011907100000000 ] - [ 0.0071849200000000, 0.0000000000000000, 0.0006078300000000 ] - [ -0.0039412000000000, 0.0000000000000000, -0.0010045300000000 ] - [ -0.3496633400000000, 0.0000000000000000, -0.0943010800000000 ] - [ 0.0009674000000000, 0.0000000000000000, -0.0002913700000000 ] - [ -0.0020243100000000, 0.0000000000000000, -0.0023318400000000 ] - [ 0.0039274600000000, 0.0000000000000000, 0.0011745100000000 ] - [ 0.0033683300000000, 0.0000000000000000, 0.0011339000000000 ] - [ 0.0039163100000000, 0.0000000000000000, 0.0019411600000000 ] - [ 0.0036666000000000, 0.0000000000000000, 0.0015531500000000 ] - [ 0.0011128100000000, 0.0000000000000000, 0.0003861700000000 ] - [ 0.0084267400000000, 0.0000000000000000, 0.0001279200000000 ] - [ -0.0055384000000000, -0.0008634600000000, 0.0004787100000000 ] - [ -0.0073857900000000, 0.0000000000000000, -0.0036740500000000 ] - [ -0.0009744900000000, -0.0000878100000000, -0.0006779400000000 ] - [ 0.5059772900000000, 0.0000000000000000, 0.1448788600000000 ] - [ 0.0014532700000000, 0.0000000000000000, 0.0003754500000000 ] - [ 0.0083503500000000, 0.0009078400000000, 0.0036313700000000 ] - [ 0.0057547200000000, 0.0000000000000000, 0.0050106500000000 ] - [ -0.0020616700000000, -0.0002223900000000, -0.0003861300000000 ] - [ 0.0083503500000000, -0.0009078400000000, 0.0036313700000000 ] - [ -0.0020616700000000, 0.0002223900000000, -0.0003861300000000 ] - [ -0.0014785100000000, -0.0008214100000000, -0.0007786000000000 ] - [ -0.0009744900000000, 0.0000878100000000, -0.0006779400000000 ] - [ 0.0024476200000000, 0.0001549200000000, -0.0002415800000000 ] - [ -0.0067772800000000, -0.0067475300000000, -0.0054565600000000 ] - [ -0.0019820600000000, 0.0000000000000000, -0.0004504600000000 ] - [ 0.0010663400000000, -0.0004385800000000, 0.0009723600000000 ] - [ -0.0013197500000000, 0.0002488400000000, -0.0004169000000000 ] - [ -0.0020106200000000, 0.0003673400000000, -0.0001695600000000 ] - [ -0.0067772800000000, 0.0067475300000000, -0.0054565600000000 ] - [ -0.0028001600000000, 0.0000000000000000, -0.0003391300000000 ] - [ 0.0007536600000000, 0.0000000000000000, -0.0009720700000000 ] - [ -0.0013197500000000, -0.0002488400000000, -0.0004169000000000 ] - [ -0.0018291200000000, 0.0000000000000000, -0.0008622900000000 ] - [ -0.0022659000000000, 0.0000000000000000, -0.0010271000000000 ] - [ 0.0024476200000000, -0.0001549200000000, -0.0002415800000000 ] - [ -0.0055384000000000, 0.0008634600000000, 0.0004787100000000 ] - [ -0.0020106200000000, -0.0003673400000000, -0.0001695600000000 ] - [ -0.0014785100000000, 0.0008214100000000, -0.0007786000000000 ] - [ -0.0068369200000000, 0.0000000000000000, 0.0003054200000000 ] - [ 0.0010663400000000, 0.0004385800000000, 0.0009723600000000 ] - [ -0.0041572400000000, 0.0011517300000000, -0.0002914400000000 ] - [ -0.0041243500000000, 0.0000000000000000, 0.0001810300000000 ] - [ -0.0000913900000000, 0.0003604600000000, -0.0000135000000000 ] - [ -0.0034072400000000, 0.0000000000000000, -0.0002209000000000 ] - [ -0.0015951000000000, 0.0000000000000000, -0.0003274900000000 ] - [ -0.0024434500000000, 0.0002673500000000, -0.0005124300000000 ] - [ -0.0028079000000000, 0.0000000000000000, -0.0004093700000000 ] - [ -0.0618127100000000, -0.0508070900000000, -0.0325568500000000 ] - [ -0.0024434500000000, -0.0002673500000000, -0.0005124300000000 ] - [ -0.0618127100000000, 0.0508070900000000, -0.0325568500000000 ] - [ 0.0017326800000000, 0.0002880200000000, 0.0030917800000000 ] - [ -0.0000913900000000, -0.0003604600000000, -0.0000135000000000 ] - [ -0.0015010100000000, -0.0009894100000000, -0.0003009400000000 ] - [ -0.0020638200000000, -0.0005444100000000, -0.0003724500000000 ] - [ 0.0005763500000000, 0.0000000000000000, -0.0045784400000000 ] - [ -0.0003885800000000, 0.0003304700000000, -0.0004425100000000 ] - [ 0.0026461900000000, -0.0003734500000000, 0.0003944600000000 ] - [ -0.0021234800000000, 0.0001354200000000, -0.0016808200000000 ] - [ -0.0020638200000000, 0.0005444100000000, -0.0003724500000000 ] - [ 0.0049642000000000, 0.0000000000000000, -0.0006359600000000 ] - [ -0.0002578700000000, 0.0000000000000000, 0.0004529800000000 ] - [ 0.0026461900000000, 0.0003734500000000, 0.0003944600000000 ] - [ 0.0028138900000000, 0.0000000000000000, 0.0007186700000000 ] - [ 0.0009115700000000, 0.0000000000000000, 0.0025841500000000 ] - [ -0.0015010100000000, 0.0009894100000000, -0.0003009400000000 ] - [ -0.0041572400000000, -0.0011517300000000, -0.0002914400000000 ] - [ -0.0021234800000000, -0.0001354200000000, -0.0016808200000000 ] - [ 0.0017326800000000, -0.0002880200000000, 0.0030917800000000 ] - [ -0.0086890700000000, 0.0000000000000000, -0.0011863700000000 ] - [ -0.0003885800000000, -0.0003304700000000, -0.0004425100000000 ] - [ -0.0010624900000000, 0.0000000000000000, 0.0000338200000000 ] - [ -0.0006270100000000, 0.0000000000000000, 0.0000481000000000 ] - [ 0.0013556900000000, 0.0000000000000000, 0.0011838400000000 ] - [ -0.0002947200000000, 0.0000000000000000, 0.0068060200000000 ] - [ 0.0034068300000000, 0.0000000000000000, -0.0037389300000000 ] - [ 0.0012640100000000, 0.0000000000000000, -0.0004895700000000 ] - [ -0.0012148800000000, 0.0000000000000000, -0.0002847000000000 ] - [ -0.0014987600000000, 0.0000000000000000, -0.0006282700000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000088100000000, -0.0000022600000000, 0.0001560300000000 ] - [ 0.0000125300000000, 0.0002463800000000, -0.0000067600000000 ] - [ 0.0000044900000000, 0.0000035700000000, -0.0001582900000000 ] - [ -0.0001452900000000, 0.0000120300000000, 0.0000144600000000 ] - [ 0.0001273800000000, 0.0002134700000000, -0.0000175200000000 ] - [ -0.0000044500000000, -0.0022620700000000, 0.0001412900000000 ] - [ -0.0000040400000000, -0.0000033400000000, 0.0001481700000000 ] - [ -0.0000063800000000, -0.0000003300000000, -0.0000040500000000 ] - [ -0.0000003000000000, 0.0000001200000000, -0.0001644900000000 ] - [ -0.0001671300000000, 0.0019963400000000, 0.0000313300000000 ] - [ 0.0001372100000000, 0.0000038600000000, -0.0000077200000000 ] - [ -0.0000064400000000, 0.0000000300000000, 0.0000019000000000 ] - [ 0.0003443600000000, 0.0000024800000000, -0.0004890500000000 ] - [ -0.0003888400000000, 0.0029985100000000, 0.0005640200000000 ] - [ -0.0000531000000000, -0.0000018000000000, -0.0006097900000000 ] - [ 0.0000454600000000, 0.0000047500000000, 0.0005917900000000 ] - [ 0.0003718000000000, 0.0001202600000000, -0.0004894700000000 ] - [ -0.0003671700000000, 0.0000153400000000, 0.0004909300000000 ] - [ -0.0000384600000000, -0.0069336900000000, -0.0006682400000000 ] - [ 0.0000382600000000, 0.0000002000000000, 0.0006050800000000 ] - [ 0.0000698500000000, -0.0000012600000000, 0.0000042500000000 ] - [ -0.0009184600000000, -0.0000052900000000, -0.0002561500000000 ] - [ -0.0001972900000000, 0.0000181900000000, -0.0002726600000000 ] - [ -0.0005285400000000, -0.0000037400000000, -0.0004480600000000 ] - [ 0.0009161600000000, 0.0000771300000000, 0.0002511100000000 ] - [ -0.0000447000000000, -0.0062812900000000, 0.0000052500000000 ] - [ 0.0004881000000000, -0.0044272900000000, 0.0004274500000000 ] - [ 0.0009635300000000, 0.0000042800000000, 0.0003280000000000 ] - [ -0.0009638300000000, -0.0000045700000000, -0.0003280400000000 ] - [ 0.0001796800000000, -0.0003507700000000, 0.0002723500000000 ] - [ 0.0000800700000000, 0.0000105800000000, 0.0000053800000000 ] - [ -0.0000639300000000, 0.0822045500000000, 0.0000907200000000 ] - [ -0.0001881000000000, 0.0000226900000000, -0.0002718500000000 ] - [ -0.0005138600000000, -0.0010556000000000, -0.0004381700000000 ] - [ 0.0009069500000000, 0.0000012200000000, 0.0002536600000000 ] - [ -0.0000805400000000, 0.0000051800000000, -0.0000076000000000 ] - [ 0.0005125800000000, 0.0000087200000000, 0.0004427600000000 ] - [ 0.0009542100000000, 0.0001558900000000, 0.0003239800000000 ] - [ -0.0009662200000000, 0.0000027700000000, -0.0003291500000000 ] - [ 0.0001680000000000, 0.0004654500000000, 0.0002735000000000 ] - [ -0.0003795900000000, -0.0000035600000000, 0.0001786800000000 ] - [ -0.0005425200000000, 0.0011633500000000, -0.0001947500000000 ] - [ 0.0000733000000000, -0.0000091000000000, -0.0001838400000000 ] - [ -0.0001306200000000, -0.1042000400000000, -0.0003115000000000 ] - [ 0.0000949400000000, 0.0000006400000000, 0.0001108600000000 ] - [ -0.0014741300000000, 0.0032861200000000, 0.0032256100000000 ] - [ -0.0000717500000000, 0.0007391200000000, 0.0002506200000000 ] - [ 0.0000295700000000, 0.0004665400000000, 0.0000012800000000 ] - [ 0.0009387100000000, 0.0033450700000000, -0.0032486200000000 ] - [ 0.0000256700000000, -0.0004649400000000, 0.0000009500000000 ] - [ 0.0003450100000000, -0.0001022600000000, 0.0001146300000000 ] - [ 0.0000859700000000, -0.0000110800000000, -0.0001665100000000 ] - [ -0.0001087000000000, -0.0004359000000000, -0.0000470100000000 ] - [ 0.0031008800000000, 0.0023428300000000, 0.0013615600000000 ] - [ -0.0000945700000000, -0.0000015500000000, -0.0001084000000000 ] - [ 0.0006468600000000, -0.0000546100000000, 0.0002636900000000 ] - [ 0.0002500100000000, 0.0000272200000000, -0.0000008000000000 ] - [ -0.0006419700000000, 0.0000508300000000, -0.0002645300000000 ] - [ -0.0037556500000000, 0.0021412600000000, -0.0015795100000000 ] - [ -0.0001716800000000, 0.0000000600000000, -0.0000345200000000 ] - [ 0.0009504900000000, -0.0000039500000000, 0.0001477200000000 ] - [ 0.0002508500000000, -0.0000270700000000, -0.0000005000000000 ] - [ 0.0000590400000000, -0.0000001400000000, -0.0002611000000000 ] - [ 0.0005580100000000, 0.0000122500000000, 0.0002012700000000 ] - [ 0.0000640900000000, 0.0004951800000000, 0.0000613500000000 ] - [ 0.0002405600000000, 0.0000008600000000, 0.0001751200000000 ] - [ -0.0006460000000000, -0.0000557600000000, -0.0002614700000000 ] - [ 0.0003435400000000, 0.0001016700000000, 0.0001106300000000 ] - [ -0.0009393700000000, 0.0000922500000000, -0.0001463200000000 ] - [ 0.0006473600000000, 0.0000539800000000, 0.0002621000000000 ] - [ -0.0002294700000000, 0.0000124200000000, 0.0001848100000000 ] - [ -0.0005456100000000, 0.0000542000000000, -0.0001996200000000 ] - [ 0.0000845900000000, -0.0000135600000000, -0.0001833500000000 ] - [ 0.0001823700000000, 0.0000010100000000, 0.0000357400000000 ] - [ 0.0001020800000000, -0.0000001100000000, 0.0001105100000000 ] - [ -0.0002440600000000, -0.0000308100000000, 0.0000018000000000 ] - [ -0.0000504200000000, 0.0000006900000000, 0.0002631200000000 ] - [ 0.0586914600000000, 0.0113981900000000, 0.0208506500000000 ] - [ -0.0002426600000000, 0.0000276000000000, 0.0000036000000000 ] - [ -0.0590885000000000, 0.0102559700000000, -0.0209962800000000 ] - [ 0.0005883200000000, 0.0002356500000000, -0.0003397200000000 ] - [ 0.0000673000000000, -0.0000104400000000, -0.0001677700000000 ] - [ -0.0000220700000000, -0.0004642600000000, 0.0000006800000000 ] - [ -0.0003379500000000, 0.0001090500000000, -0.0000953000000000 ] - [ -0.0000977100000000, -0.0001354400000000, -0.0000982300000000 ] - [ 0.0006485400000000, -0.0000545000000000, 0.0002647100000000 ] - [ 0.0002400100000000, 0.0000233400000000, 0.0000080700000000 ] - [ -0.0005292400000000, 0.0000153200000000, -0.0002912400000000 ] - [ -0.0003399600000000, -0.0000982900000000, -0.0001249900000000 ] - [ -0.0001876400000000, 0.0006998600000000, -0.0000197500000000 ] - [ 0.0009427800000000, -0.0000035400000000, 0.0001456500000000 ] - [ 0.0002409800000000, -0.0000355600000000, -0.0000079700000000 ] - [ 0.0000480400000000, 0.0000025200000000, -0.0002625200000000 ] - [ 0.0005470600000000, 0.0000403200000000, 0.0001921400000000 ] - [ -0.0000221200000000, 0.0004631900000000, 0.0000009100000000 ] - [ 0.0000936300000000, 0.0000147600000000, 0.0001695900000000 ] - [ -0.0007522500000000, -0.0000911900000000, -0.0002285700000000 ] - [ 0.0000764600000000, 0.0004411400000000, 0.0005449600000000 ] - [ -0.0009205900000000, 0.0009065300000000, -0.0001435500000000 ] - [ 0.0006493100000000, 0.0000542800000000, 0.0002649600000000 ] - [ 0.0000644700000000, -0.0000002900000000, -0.0001521000000000 ] - [ 0.0002115800000000, -0.0000006100000000, 0.0001692500000000 ] - [ -0.0000679700000000, 0.0000498100000000, 0.0001528800000000 ] - [ -0.0002113300000000, -0.0000311900000000, -0.0001808600000000 ] - [ 0.0000567700000000, -0.0000439500000000, -0.0001423100000000 ] - [ 0.0002079700000000, -0.0000003400000000, 0.0001740300000000 ] - [ -0.0000601900000000, -0.0000003500000000, 0.0001523500000000 ] - [ -0.0002070000000000, -0.0000013700000000, -0.0001693100000000 ]- atom: 44 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0003008900000000, 0.0000000000000000, -0.0005733100000000 ] - [ -0.0001179800000000, 0.0000000000000000, -0.0034386100000000 ] - [ 0.0010611600000000, 0.0000000000000000, -0.0019786500000000 ] - [ -0.0001706700000000, 0.0000000000000000, 0.0012032800000000 ] - [ -0.0022275100000000, 0.0000000000000000, 0.0003183500000000 ] - [ 0.0014020400000000, 0.0000000000000000, 0.0037775800000000 ] - [ 0.0002373200000000, 0.0000000000000000, -0.0010505400000000 ] - [ -0.0000432300000000, 0.0000000000000000, -0.0002912500000000 ] - [ -0.0002904900000000, 0.0000000000000000, -0.0005520100000000 ] - [ -0.0007863800000000, 0.0000000000000000, 0.0019761300000000 ] - [ 0.0005952000000000, 0.0000000000000000, 0.0003103400000000 ] - [ -0.0000816600000000, 0.0000000000000000, 0.0002521400000000 ] - [ -0.0003314900000000, 0.0000000000000000, -0.0004497800000000 ] - [ -0.0079292200000000, 0.0000000000000000, 0.0148693900000000 ] - [ 0.0004597800000000, 0.0000000000000000, -0.0008925500000000 ] - [ -0.0008601900000000, 0.0000000000000000, -0.0041158100000000 ] - [ 0.0043999700000000, 0.0000000000000000, -0.0030975900000000 ] - [ -0.0007289200000000, 0.0000000000000000, 0.0006873300000000 ] - [ -0.0034014100000000, 0.0000000000000000, -0.0034191100000000 ] - [ 0.0001747800000000, 0.0000000000000000, 0.0002916400000000 ] - [ -0.0001520700000000, 0.0000000000000000, -0.0000906500000000 ] - [ -0.0008403500000000, 0.0000000000000000, -0.0002193200000000 ] - [ -0.0015989500000000, 0.0000000000000000, -0.0003191400000000 ] - [ -0.0008153900000000, 0.0000000000000000, -0.0005757000000000 ] - [ -0.0073686600000000, 0.0000000000000000, -0.0024930700000000 ] - [ 0.0029961500000000, 0.0000000000000000, 0.0018003700000000 ] - [ 0.0002548000000000, 0.0000000000000000, -0.0006317400000000 ] - [ 0.0011113900000000, 0.0000000000000000, 0.0003401800000000 ] - [ -0.0019691600000000, 0.0000000000000000, -0.0008911800000000 ] - [ 0.0021297200000000, 0.0000000000000000, 0.0003842600000000 ] - [ 0.0006399400000000, 0.0000000000000000, -0.0000923200000000 ] - [ 0.0660910300000000, 0.0000000000000000, 0.1039799300000000 ] - [ 0.0006228500000000, 0.0000000000000000, -0.0002081300000000 ] - [ 0.0021296100000000, 0.0000000000000000, 0.0011985700000000 ] - [ 0.0008857300000000, 0.0000000000000000, 0.0002489200000000 ] - [ -0.0001720900000000, 0.0000000000000000, -0.0000481300000000 ] - [ 0.0005151300000000, 0.0000000000000000, 0.0004274700000000 ] - [ 0.0003349900000000, 0.0000000000000000, -0.0000728200000000 ] - [ -0.0010108400000000, 0.0000000000000000, -0.0003689000000000 ] - [ -0.0010172500000000, 0.0000000000000000, 0.0004060400000000 ] - [ -0.0022473800000000, -0.0006144900000000, -0.0000772500000000 ] - [ 0.0005861400000000, 0.0000000000000000, 0.0003611100000000 ] - [ 0.0007659700000000, -0.0002049900000000, -0.0000169500000000 ] - [ -0.0970407200000000, 0.0000000000000000, -0.0910806100000000 ] - [ 0.0005647400000000, 0.0000000000000000, 0.0012311300000000 ] - [ -0.0006817100000000, 0.0019836200000000, 0.0033954800000000 ] - [ -0.0016903300000000, 0.0000000000000000, -0.0003466000000000 ] - [ -0.0000367800000000, 0.0004184400000000, -0.0001072300000000 ] - [ -0.0006817100000000, -0.0019836200000000, 0.0033954800000000 ] - [ -0.0000367800000000, -0.0004184400000000, -0.0001072300000000 ] - [ 0.0004601400000000, -0.0000341600000000, 0.0000044900000000 ] - [ 0.0007659700000000, 0.0002049900000000, -0.0000169500000000 ] - [ 0.0025928100000000, 0.0011204000000000, 0.0015222300000000 ] - [ 0.0023260600000000, 0.0003804600000000, -0.0033102500000000 ] - [ -0.0002118700000000, 0.0000000000000000, -0.0001134100000000 ] - [ 0.0011264700000000, -0.0002362200000000, 0.0009523400000000 ] - [ 0.0003651200000000, -0.0000130000000000, 0.0000866500000000 ] - [ -0.0008331000000000, 0.0000155000000000, -0.0000315600000000 ] - [ 0.0023260600000000, -0.0003804600000000, -0.0033102500000000 ] - [ -0.0000863500000000, 0.0000000000000000, -0.0001327600000000 ] - [ 0.0022263100000000, 0.0000000000000000, 0.0004031200000000 ] - [ 0.0003651200000000, 0.0000130000000000, 0.0000866500000000 ] - [ 0.0002474200000000, 0.0000000000000000, -0.0001962800000000 ] - [ 0.0011034500000000, 0.0000000000000000, -0.0002199700000000 ] - [ 0.0025928100000000, -0.0011204000000000, 0.0015222300000000 ] - [ -0.0022473800000000, 0.0006144900000000, -0.0000772500000000 ] - [ -0.0008331000000000, -0.0000155000000000, -0.0000315600000000 ] - [ 0.0004601400000000, 0.0000341600000000, 0.0000044900000000 ] - [ -0.0025033400000000, 0.0000000000000000, -0.0002003400000000 ] - [ 0.0011264700000000, 0.0002362200000000, 0.0009523400000000 ] - [ 0.0004624800000000, -0.0002237300000000, 0.0001780600000000 ] - [ -0.0003020800000000, 0.0000000000000000, -0.0005774400000000 ] - [ -0.0005731200000000, -0.0000597300000000, -0.0000439700000000 ] - [ 0.0001433900000000, 0.0000000000000000, -0.0000709600000000 ] - [ 0.0001546800000000, 0.0000000000000000, 0.0001666300000000 ] - [ -0.0002261200000000, -0.0000646300000000, 0.0000517800000000 ] - [ 0.0000585700000000, 0.0000000000000000, 0.0002568200000000 ] - [ 0.0198372300000000, 0.0097247300000000, -0.0191986300000000 ] - [ -0.0002261200000000, 0.0000646300000000, 0.0000517800000000 ] - [ 0.0198372300000000, -0.0097247300000000, -0.0191986300000000 ] - [ -0.0016137100000000, -0.0004018900000000, -0.0007498500000000 ] - [ -0.0005731200000000, 0.0000597300000000, -0.0000439700000000 ] - [ -0.0000498900000000, -0.0004439300000000, -0.0000125600000000 ] - [ -0.0003445000000000, 0.0000963000000000, -0.0002444700000000 ] - [ 0.0004871200000000, 0.0000000000000000, -0.0000649700000000 ] - [ 0.0006583900000000, -0.0000839500000000, 0.0004348600000000 ] - [ -0.0000593000000000, 0.0001129400000000, 0.0009725500000000 ] - [ -0.0002429100000000, -0.0000625100000000, 0.0001846800000000 ] - [ -0.0003445000000000, -0.0000963000000000, -0.0002444700000000 ] - [ 0.0007736400000000, 0.0000000000000000, 0.0103756700000000 ] - [ 0.0002692300000000, 0.0000000000000000, 0.0001425800000000 ] - [ -0.0000593000000000, -0.0001129400000000, 0.0009725500000000 ] - [ -0.0004708200000000, 0.0000000000000000, 0.0000329700000000 ] - [ -0.0012965300000000, 0.0000000000000000, -0.0013053300000000 ] - [ -0.0000498900000000, 0.0004439300000000, -0.0000125600000000 ] - [ 0.0004624800000000, 0.0002237300000000, 0.0001780600000000 ] - [ -0.0002429100000000, 0.0000625100000000, 0.0001846800000000 ] - [ -0.0016137100000000, 0.0004018900000000, -0.0007498500000000 ] - [ 0.0005807000000000, 0.0000000000000000, -0.0000817100000000 ] - [ 0.0006583900000000, 0.0000839500000000, 0.0004348600000000 ] - [ 0.0000646500000000, 0.0000000000000000, 0.0000914500000000 ] - [ 0.0003008500000000, 0.0000000000000000, 0.0003881900000000 ] - [ -0.0004473800000000, 0.0000000000000000, 0.0019921000000000 ] - [ -0.0008612700000000, 0.0000000000000000, 0.0018596000000000 ] - [ 0.0003298700000000, 0.0000000000000000, 0.0009979400000000 ] - [ -0.0000465100000000, 0.0000000000000000, 0.0012450600000000 ] - [ -0.0000175700000000, 0.0000000000000000, 0.0003308600000000 ] - [ -0.0001151000000000, 0.0000000000000000, -0.0000672600000000 ]- atom: 44 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0002516800000000, 0.0000000000000000, 0.0008938200000000 ] - [ 0.0001435200000000, 0.0000000000000000, 0.0034419400000000 ] - [ -0.0010225000000000, 0.0000000000000000, 0.0016646800000000 ] - [ -0.0001287400000000, 0.0000000000000000, -0.0011947900000000 ] - [ 0.0025027700000000, 0.0000000000000000, -0.0003317300000000 ] - [ -0.0013912900000000, 0.0000000000000000, -0.0036265800000000 ] - [ -0.0002760100000000, 0.0000000000000000, 0.0013525400000000 ] - [ 0.0000316100000000, 0.0000000000000000, 0.0002854300000000 ] - [ 0.0003170200000000, 0.0000000000000000, 0.0002172900000000 ] - [ 0.0004553900000000, 0.0000000000000000, -0.0019147400000000 ] - [ -0.0003094600000000, 0.0000000000000000, -0.0003137100000000 ] - [ 0.0000686000000000, 0.0000000000000000, -0.0002488300000000 ] - [ 0.0010079600000000, 0.0000000000000000, -0.0005231400000000 ] - [ 0.0075959500000000, 0.0000000000000000, -0.0139983200000000 ] - [ -0.0005881700000000, 0.0000000000000000, -0.0003284100000000 ] - [ 0.0009737000000000, 0.0000000000000000, 0.0053076000000000 ] - [ -0.0036645400000000, 0.0000000000000000, 0.0021284800000000 ] - [ 0.0000115600000000, 0.0000000000000000, 0.0002803800000000 ] - [ 0.0033486300000000, 0.0000000000000000, 0.0020703700000000 ] - [ -0.0000784800000000, 0.0000000000000000, 0.0009156600000000 ] - [ 0.0002938600000000, 0.0000000000000000, 0.0000993800000000 ] - [ -0.0010116200000000, 0.0000000000000000, -0.0002958700000000 ] - [ 0.0012054800000000, 0.0000000000000000, -0.0002224700000000 ] - [ -0.0002439600000000, 0.0000000000000000, -0.0003226500000000 ] - [ 0.0091456300000000, 0.0000000000000000, 0.0030081300000000 ] - [ -0.0031261000000000, 0.0000000000000000, -0.0018363400000000 ] - [ 0.0007635200000000, 0.0000000000000000, 0.0015159700000000 ] - [ 0.0007889600000000, 0.0000000000000000, 0.0003080300000000 ] - [ 0.0000786600000000, 0.0000000000000000, 0.0002460800000000 ] - [ -0.0017771500000000, 0.0000000000000000, 0.0001564900000000 ] - [ -0.0004740600000000, 0.0000000000000000, 0.0001046200000000 ] - [ -0.0681721400000000, 0.0000000000000000, -0.1033358100000000 ] - [ -0.0009986400000000, 0.0000000000000000, -0.0003312000000000 ] - [ -0.0031802500000000, 0.0000000000000000, -0.0020858900000000 ] - [ 0.0009426400000000, 0.0000000000000000, 0.0002603500000000 ] - [ 0.0000127200000000, 0.0000000000000000, 0.0000334900000000 ] - [ 0.0005180800000000, 0.0000000000000000, 0.0004600900000000 ] - [ 0.0015581300000000, 0.0000000000000000, 0.0007162700000000 ] - [ -0.0009049000000000, 0.0000000000000000, -0.0002855800000000 ] - [ 0.0013286100000000, 0.0000000000000000, 0.0001364500000000 ] - [ 0.0021308700000000, 0.0006222200000000, 0.0004252600000000 ] - [ -0.0016812000000000, 0.0000000000000000, -0.0007554000000000 ] - [ -0.0006140000000000, 0.0002009200000000, -0.0003300700000000 ] - [ 0.0968254500000000, 0.0000000000000000, 0.0894763100000000 ] - [ -0.0003585800000000, 0.0000000000000000, -0.0010126500000000 ] - [ 0.0001658700000000, -0.0020951200000000, -0.0034658000000000 ] - [ 0.0015776700000000, 0.0000000000000000, 0.0008695900000000 ] - [ 0.0000895900000000, 0.0005149600000000, 0.0001127800000000 ] - [ 0.0001658700000000, 0.0020951200000000, -0.0034658000000000 ] - [ 0.0000895900000000, -0.0005149600000000, 0.0001127800000000 ] - [ 0.0002271800000000, -0.0001664500000000, 0.0002178300000000 ] - [ -0.0006140000000000, -0.0002009200000000, -0.0003300700000000 ] - [ -0.0026208800000000, -0.0020366600000000, -0.0015267000000000 ] - [ -0.0030115200000000, -0.0001793200000000, 0.0030909100000000 ] - [ 0.0000127800000000, 0.0000000000000000, -0.0001025700000000 ] - [ 0.0001900400000000, 0.0001278100000000, -0.0004233000000000 ] - [ 0.0001359500000000, 0.0000703300000000, -0.0000902100000000 ] - [ -0.0004699300000000, 0.0000899000000000, -0.0005000500000000 ] - [ -0.0030115200000000, 0.0001793200000000, 0.0030909100000000 ] - [ -0.0002562400000000, 0.0000000000000000, 0.0000591600000000 ] - [ -0.0003207900000000, 0.0000000000000000, -0.0001101500000000 ] - [ 0.0001359500000000, -0.0000703300000000, -0.0000902100000000 ] - [ -0.0001386000000000, 0.0000000000000000, -0.0003256200000000 ] - [ 0.0000010700000000, 0.0000000000000000, 0.0006198000000000 ] - [ -0.0026208800000000, 0.0020366600000000, -0.0015267000000000 ] - [ 0.0021308700000000, -0.0006222200000000, 0.0004252600000000 ] - [ -0.0004699300000000, -0.0000899000000000, -0.0005000500000000 ] - [ 0.0002271800000000, 0.0001664500000000, 0.0002178300000000 ] - [ 0.0006318100000000, 0.0000000000000000, -0.0000934300000000 ] - [ 0.0001900400000000, -0.0001278100000000, -0.0004233000000000 ] - [ -0.0005863200000000, 0.0002253200000000, 0.0001698200000000 ] - [ -0.0007739500000000, 0.0000000000000000, 0.0001789700000000 ] - [ 0.0007139000000000, 0.0000532300000000, -0.0003021900000000 ] - [ 0.0002242800000000, 0.0000000000000000, 0.0001475800000000 ] - [ 0.0000607800000000, 0.0000000000000000, 0.0000526300000000 ] - [ -0.0002573000000000, 0.0000037000000000, -0.0000439100000000 ] - [ -0.0001459900000000, 0.0000000000000000, 0.0002694800000000 ] - [ -0.0195542700000000, -0.0087004100000000, 0.0195172600000000 ] - [ -0.0002573000000000, -0.0000037000000000, -0.0000439100000000 ] - [ -0.0195542700000000, 0.0087004100000000, 0.0195172600000000 ] - [ 0.0022736300000000, 0.0001894500000000, 0.0009491300000000 ] - [ 0.0007139000000000, -0.0000532300000000, -0.0003021900000000 ] - [ 0.0000112200000000, -0.0004841700000000, 0.0000118200000000 ] - [ -0.0003286300000000, 0.0001103900000000, 0.0000278700000000 ] - [ -0.0006993900000000, 0.0000000000000000, -0.0001213300000000 ] - [ 0.0006583100000000, -0.0000268200000000, 0.0001012100000000 ] - [ 0.0005429200000000, -0.0000527700000000, -0.0009775800000000 ] - [ -0.0010632500000000, 0.0001722800000000, -0.0007090100000000 ] - [ -0.0003286300000000, -0.0001103900000000, 0.0000278700000000 ] - [ -0.0011319100000000, 0.0000000000000000, -0.0103018400000000 ] - [ 0.0016225500000000, 0.0000000000000000, 0.0001516900000000 ] - [ 0.0005429200000000, 0.0000527700000000, -0.0009775800000000 ] - [ 0.0005506000000000, 0.0000000000000000, -0.0005610600000000 ] - [ 0.0023718800000000, 0.0000000000000000, 0.0016762100000000 ] - [ 0.0000112200000000, 0.0004841700000000, 0.0000118200000000 ] - [ -0.0005863200000000, -0.0002253200000000, 0.0001698200000000 ] - [ -0.0010632500000000, -0.0001722800000000, -0.0007090100000000 ] - [ 0.0022736300000000, -0.0001894500000000, 0.0009491300000000 ] - [ -0.0024255200000000, 0.0000000000000000, -0.0002060800000000 ] - [ 0.0006583100000000, 0.0000268200000000, 0.0001012100000000 ] - [ 0.0000542300000000, 0.0000000000000000, -0.0003961300000000 ] - [ 0.0001119700000000, 0.0000000000000000, -0.0000499000000000 ] - [ 0.0003317400000000, 0.0000000000000000, -0.0016926300000000 ] - [ 0.0004577300000000, 0.0000000000000000, -0.0022158300000000 ] - [ -0.0002378500000000, 0.0000000000000000, -0.0012782800000000 ] - [ 0.0004442800000000, 0.0000000000000000, -0.0008958300000000 ] - [ -0.0000881400000000, 0.0000000000000000, -0.0000281800000000 ] - [ -0.0002841100000000, 0.0000000000000000, -0.0002720900000000 ]- atom: 45 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0095569700000000, 0.0000000000000000, 0.0022220500000000 ] - [ -0.0008471200000000, 0.0000000000000000, 0.0047901400000000 ] - [ 0.0086102300000000, 0.0000000000000000, -0.0101626000000000 ] - [ 0.0004203600000000, 0.0000000000000000, -0.0006403400000000 ] - [ 0.0044393300000000, 0.0000000000000000, 0.0017023700000000 ] - [ 0.0011020100000000, 0.0000000000000000, -0.0016290300000000 ] - [ -0.0030806300000000, 0.0000000000000000, 0.0003504800000000 ] - [ -0.0027715600000000, 0.0000000000000000, -0.0001703200000000 ] - [ -0.0022193800000000, 0.0000000000000000, -0.0001897800000000 ] - [ -0.0014663700000000, 0.0000000000000000, -0.0004218800000000 ] - [ -0.0019539100000000, 0.0000000000000000, -0.0004599900000000 ] - [ -0.0014805300000000, 0.0000000000000000, -0.0002010100000000 ] - [ -0.0024196400000000, 0.0000000000000000, 0.0019547100000000 ] - [ 0.0048043300000000, 0.0000000000000000, 0.0006810100000000 ] - [ -0.0028202300000000, 0.0000000000000000, -0.0037850000000000 ] - [ 0.0307419700000000, 0.0000000000000000, 0.0032770400000000 ] - [ -0.0035118200000000, 0.0000000000000000, -0.0041102500000000 ] - [ -0.0032640700000000, 0.0000000000000000, -0.0000650600000000 ] - [ -0.0010777200000000, 0.0000000000000000, 0.0021069800000000 ] - [ -0.0036112000000000, 0.0000000000000000, 0.0007048500000000 ] - [ -0.0025788900000000, 0.0000000000000000, -0.0008373200000000 ] - [ -0.0028703800000000, 0.0000000000000000, -0.0008933900000000 ] - [ 0.0015376400000000, 0.0000000000000000, 0.0013858200000000 ] - [ -0.0000861700000000, 0.0000000000000000, -0.0000669300000000 ] - [ 0.0008990800000000, 0.0000000000000000, -0.0016681700000000 ] - [ 0.0049109900000000, 0.0000000000000000, 0.0019162500000000 ] - [ 0.0036282700000000, 0.0000000000000000, 0.0015583600000000 ] - [ -0.0027446300000000, 0.0000000000000000, -0.0009041200000000 ] - [ 0.3264637000000000, 0.0000000000000000, 0.0875922400000000 ] - [ 0.0014938600000000, 0.0000000000000000, 0.0002705300000000 ] - [ -0.0028898500000000, 0.0000000000000000, -0.0007639300000000 ] - [ 0.0000915400000000, 0.0000000000000000, 0.0001337600000000 ] - [ -0.0034619500000000, 0.0000000000000000, -0.0004315700000000 ] - [ -0.0025695400000000, 0.0000000000000000, -0.0013832800000000 ] - [ -0.0012283300000000, 0.0000000000000000, -0.0003809200000000 ] - [ -0.0023733600000000, 0.0000000000000000, -0.0007606500000000 ] - [ -0.0014581400000000, 0.0000000000000000, -0.0003945500000000 ] - [ -0.0014994600000000, 0.0000000000000000, -0.0006452500000000 ] - [ -0.0031390600000000, 0.0000000000000000, -0.0010274500000000 ] - [ -0.0020602200000000, 0.0000000000000000, 0.0001809100000000 ] - [ -0.0012879000000000, -0.0003985800000000, 0.0011684100000000 ] - [ -0.0027124100000000, 0.0000000000000000, -0.0011745700000000 ] - [ -0.0004129500000000, 0.0007619800000000, -0.0018796500000000 ] - [ -0.0011872100000000, 0.0000000000000000, 0.0003936000000000 ] - [ -0.4626225000000000, 0.0000000000000000, -0.1463829500000000 ] - [ -0.0021391400000000, 0.0011581900000000, -0.0019138700000000 ] - [ -0.0045027100000000, 0.0000000000000000, 0.0001709500000000 ] - [ 0.0007402500000000, 0.0009677100000000, 0.0007505600000000 ] - [ -0.0021391400000000, -0.0011581900000000, -0.0019138700000000 ] - [ 0.0007402500000000, -0.0009677100000000, 0.0007505600000000 ] - [ 0.0004517600000000, -0.0003751100000000, -0.0003565700000000 ] - [ -0.0004129500000000, -0.0007619800000000, -0.0018796500000000 ] - [ -0.0014960000000000, -0.0010975700000000, 0.0026774400000000 ] - [ -0.0019668200000000, -0.0003811200000000, -0.0002744400000000 ] - [ 0.0029479300000000, 0.0000000000000000, 0.0007919600000000 ] - [ 0.0542660500000000, -0.0463816000000000, 0.0288899000000000 ] - [ 0.0017703500000000, -0.0002468200000000, 0.0002040500000000 ] - [ 0.0013399700000000, -0.0006255200000000, 0.0019151200000000 ] - [ -0.0019668200000000, 0.0003811200000000, -0.0002744400000000 ] - [ 0.0017139800000000, 0.0000000000000000, 0.0000094300000000 ] - [ -0.0031231400000000, 0.0000000000000000, -0.0018980000000000 ] - [ 0.0017703500000000, 0.0002468200000000, 0.0002040500000000 ] - [ 0.0025134100000000, 0.0000000000000000, -0.0007737000000000 ] - [ -0.0001281800000000, 0.0000000000000000, 0.0002657400000000 ] - [ -0.0014960000000000, 0.0010975700000000, 0.0026774400000000 ] - [ -0.0012879000000000, 0.0003985800000000, 0.0011684100000000 ] - [ 0.0013399700000000, 0.0006255200000000, 0.0019151200000000 ] - [ 0.0004517600000000, 0.0003751100000000, -0.0003565700000000 ] - [ -0.0020220700000000, 0.0000000000000000, 0.0004391900000000 ] - [ 0.0542660500000000, 0.0463816000000000, 0.0288899000000000 ] - [ 0.0011744800000000, -0.0001945900000000, 0.0002920100000000 ] - [ 0.0010246000000000, 0.0000000000000000, 0.0003270400000000 ] - [ 0.0018813000000000, -0.0003690500000000, 0.0001673900000000 ] - [ 0.0018665600000000, 0.0000000000000000, 0.0002245200000000 ] - [ 0.0018957500000000, 0.0000000000000000, 0.0004615400000000 ] - [ 0.0011950200000000, -0.0002379700000000, 0.0004872900000000 ] - [ 0.0017710000000000, 0.0000000000000000, 0.0006757700000000 ] - [ -0.0002008200000000, 0.0001251000000000, -0.0002932800000000 ] - [ 0.0011950200000000, 0.0002379700000000, 0.0004872900000000 ] - [ -0.0002008200000000, -0.0001251000000000, -0.0002932800000000 ] - [ 0.0010231100000000, 0.0004627400000000, 0.0012119800000000 ] - [ 0.0018813000000000, 0.0003690500000000, 0.0001673900000000 ] - [ 0.0011027800000000, -0.0000967600000000, 0.0002235200000000 ] - [ 0.0006577500000000, 0.0004817200000000, 0.0003226600000000 ] - [ 0.0026932700000000, 0.0000000000000000, -0.0010609600000000 ] - [ 0.0020286100000000, -0.0002944300000000, 0.0005075900000000 ] - [ 0.0041571500000000, -0.0047989100000000, 0.0027136600000000 ] - [ 0.0005221400000000, -0.0003732300000000, -0.0002018300000000 ] - [ 0.0006577500000000, -0.0004817200000000, 0.0003226600000000 ] - [ -0.0008107500000000, 0.0000000000000000, 0.0005057800000000 ] - [ 0.0038639500000000, 0.0000000000000000, -0.0000506300000000 ] - [ 0.0041571500000000, 0.0047989100000000, 0.0027136600000000 ] - [ 0.0049147200000000, 0.0000000000000000, 0.0011312700000000 ] - [ 0.0021819300000000, 0.0000000000000000, 0.0006528600000000 ] - [ 0.0011027800000000, 0.0000967600000000, 0.0002235200000000 ] - [ 0.0011744800000000, 0.0001945900000000, 0.0002920100000000 ] - [ 0.0005221400000000, 0.0003732300000000, -0.0002018300000000 ] - [ 0.0010231100000000, -0.0004627400000000, 0.0012119800000000 ] - [ 0.0009326100000000, 0.0000000000000000, -0.0003644500000000 ] - [ 0.0020286100000000, 0.0002944300000000, 0.0005075900000000 ] - [ 0.0016889700000000, 0.0000000000000000, 0.0006810800000000 ] - [ 0.0020575100000000, 0.0000000000000000, -0.0009389300000000 ] - [ -0.0050052900000000, 0.0000000000000000, -0.0033826100000000 ] - [ -0.0047139300000000, 0.0000000000000000, -0.0016194500000000 ] - [ 0.0015432700000000, 0.0000000000000000, -0.0016282100000000 ] - [ 0.0017849700000000, 0.0000000000000000, 0.0005352900000000 ] - [ 0.0010308600000000, 0.0000000000000000, 0.0000872900000000 ] - [ 0.0006865800000000, 0.0000000000000000, -0.0001373700000000 ]- atom: 45 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0094653300000000, 0.0000000000000000, -0.0018740400000000 ] - [ 0.0005503400000000, 0.0000000000000000, -0.0045487500000000 ] - [ -0.0085135600000000, 0.0000000000000000, 0.0097907100000000 ] - [ -0.0007037400000000, 0.0000000000000000, 0.0006426800000000 ] - [ -0.0041038900000000, 0.0000000000000000, -0.0017470700000000 ] - [ -0.0011105800000000, 0.0000000000000000, 0.0016030000000000 ] - [ 0.0030411600000000, 0.0000000000000000, -0.0000281600000000 ] - [ 0.0027595700000000, 0.0000000000000000, 0.0001686500000000 ] - [ 0.0022450300000000, 0.0000000000000000, -0.0001310800000000 ] - [ 0.0011724500000000, 0.0000000000000000, 0.0004319800000000 ] - [ 0.0022347700000000, 0.0000000000000000, 0.0004470500000000 ] - [ 0.0014787600000000, 0.0000000000000000, 0.0002002100000000 ] - [ 0.0031208100000000, 0.0000000000000000, -0.0028994000000000 ] - [ -0.0054825900000000, 0.0000000000000000, 0.0002785300000000 ] - [ 0.0027137900000000, 0.0000000000000000, 0.0025427000000000 ] - [ -0.0306318600000000, 0.0000000000000000, -0.0020159600000000 ] - [ 0.0041754800000000, 0.0000000000000000, 0.0031445400000000 ] - [ 0.0025586200000000, 0.0000000000000000, 0.0010294400000000 ] - [ 0.0009872900000000, 0.0000000000000000, -0.0033278600000000 ] - [ 0.0036928800000000, 0.0000000000000000, 0.0005172300000000 ] - [ 0.0027194200000000, 0.0000000000000000, 0.0008464400000000 ] - [ 0.0010267800000000, 0.0000000000000000, 0.0003802000000000 ] - [ -0.0018485000000000, 0.0000000000000000, -0.0019104700000000 ] - [ -0.0009681300000000, 0.0000000000000000, -0.0008283300000000 ] - [ 0.0008676000000000, 0.0000000000000000, 0.0021658500000000 ] - [ -0.0050503500000000, 0.0000000000000000, -0.0019158100000000 ] - [ -0.0025662300000000, 0.0000000000000000, -0.0006612500000000 ] - [ 0.0046209000000000, 0.0000000000000000, 0.0015429600000000 ] - [ -0.3037056600000000, 0.0000000000000000, -0.0780139000000000 ] - [ -0.0011233500000000, 0.0000000000000000, 0.0002710200000000 ] - [ 0.0029876000000000, 0.0000000000000000, 0.0007573200000000 ] - [ -0.0019355900000000, 0.0000000000000000, -0.0006467200000000 ] - [ 0.0030743900000000, 0.0000000000000000, -0.0001104100000000 ] - [ 0.0014906200000000, 0.0000000000000000, 0.0004750500000000 ] - [ 0.0030719500000000, 0.0000000000000000, 0.0008944000000000 ] - [ 0.0022128400000000, 0.0000000000000000, 0.0007454000000000 ] - [ 0.0024941200000000, 0.0000000000000000, 0.0012835500000000 ] - [ 0.0034142400000000, 0.0000000000000000, 0.0013012100000000 ] - [ 0.0012308000000000, 0.0000000000000000, 0.0003765700000000 ] - [ 0.0024168700000000, 0.0000000000000000, 0.0003604600000000 ] - [ 0.0011353600000000, 0.0004009100000000, -0.0008090400000000 ] - [ 0.0016085300000000, 0.0000000000000000, 0.0007843000000000 ] - [ 0.0005409500000000, -0.0007574800000000, 0.0015200200000000 ] - [ 0.0015385000000000, 0.0000000000000000, -0.0003071000000000 ] - [ 0.4365164900000000, 0.0000000000000000, 0.1347820500000000 ] - [ 0.0016453900000000, -0.0012167300000000, 0.0019211400000000 ] - [ 0.0043911500000000, 0.0000000000000000, 0.0003616400000000 ] - [ -0.0006907300000000, -0.0000338400000000, -0.0007415900000000 ] - [ 0.0016453900000000, 0.0012167300000000, 0.0019211400000000 ] - [ -0.0006907300000000, 0.0000338400000000, -0.0007415900000000 ] - [ 0.0002245900000000, 0.0001657400000000, 0.0005731500000000 ] - [ 0.0005409500000000, 0.0007574800000000, 0.0015200200000000 ] - [ 0.0014828500000000, 0.0001733500000000, -0.0026308000000000 ] - [ 0.0012807200000000, 0.0005873000000000, 0.0000665400000000 ] - [ -0.0031374500000000, 0.0000000000000000, -0.0010065700000000 ] - [ -0.0519096700000000, 0.0452810800000000, -0.0276623400000000 ] - [ -0.0012738400000000, 0.0003066600000000, -0.0002091400000000 ] - [ -0.0026327500000000, 0.0007309100000000, -0.0024347400000000 ] - [ 0.0012807200000000, -0.0005873000000000, 0.0000665400000000 ] - [ -0.0020600200000000, 0.0000000000000000, -0.0000831800000000 ] - [ 0.0049544200000000, 0.0000000000000000, 0.0021865200000000 ] - [ -0.0012738400000000, -0.0003066600000000, -0.0002091400000000 ] - [ -0.0024056300000000, 0.0000000000000000, 0.0002460500000000 ] - [ 0.0012099200000000, 0.0000000000000000, 0.0001318400000000 ] - [ 0.0014828500000000, -0.0001733500000000, -0.0026308000000000 ] - [ 0.0011353600000000, -0.0004009100000000, -0.0008090400000000 ] - [ -0.0026327500000000, -0.0007309100000000, -0.0024347400000000 ] - [ 0.0002245900000000, -0.0001657400000000, 0.0005731500000000 ] - [ 0.0001245200000000, 0.0000000000000000, -0.0007284500000000 ] - [ -0.0519096700000000, -0.0452810800000000, -0.0276623400000000 ] - [ -0.0013212300000000, 0.0002056600000000, 0.0000576900000000 ] - [ -0.0021112000000000, 0.0000000000000000, -0.0007178400000000 ] - [ -0.0017259600000000, 0.0003627400000000, -0.0005169800000000 ] - [ -0.0015116300000000, 0.0000000000000000, -0.0001486300000000 ] - [ -0.0016867200000000, 0.0000000000000000, -0.0002435500000000 ] - [ -0.0016825800000000, 0.0001764700000000, -0.0004812500000000 ] - [ -0.0018678500000000, 0.0000000000000000, -0.0001501500000000 ] - [ 0.0002538700000000, 0.0008080800000000, 0.0003062900000000 ] - [ -0.0016825800000000, -0.0001764700000000, -0.0004812500000000 ] - [ 0.0002538700000000, -0.0008080800000000, 0.0003062900000000 ] - [ -0.0003343300000000, -0.0006661400000000, -0.0009913500000000 ] - [ -0.0017259600000000, -0.0003627400000000, -0.0005169800000000 ] - [ -0.0011454500000000, -0.0008342500000000, -0.0002262500000000 ] - [ -0.0013355200000000, -0.0002756800000000, -0.0005377100000000 ] - [ -0.0029119800000000, 0.0000000000000000, 0.0008528900000000 ] - [ -0.0007150600000000, 0.0001841500000000, 0.0000227800000000 ] - [ -0.0037266100000000, 0.0049200900000000, -0.0027551200000000 ] - [ -0.0018354000000000, 0.0004873100000000, -0.0003325900000000 ] - [ -0.0013355200000000, 0.0002756800000000, -0.0005377100000000 ] - [ 0.0005174700000000, 0.0000000000000000, -0.0005754100000000 ] - [ -0.0019596200000000, 0.0000000000000000, 0.0003443700000000 ] - [ -0.0037266100000000, -0.0049200900000000, -0.0027551200000000 ] - [ -0.0048104200000000, 0.0000000000000000, -0.0016577500000000 ] - [ -0.0010784500000000, 0.0000000000000000, -0.0002548700000000 ] - [ -0.0011454500000000, 0.0008342500000000, -0.0002262500000000 ] - [ -0.0013212300000000, -0.0002056600000000, 0.0000576900000000 ] - [ -0.0018354000000000, -0.0004873100000000, -0.0003325900000000 ] - [ -0.0003343300000000, 0.0006661400000000, -0.0009913500000000 ] - [ -0.0028177500000000, 0.0000000000000000, 0.0000757700000000 ] - [ -0.0007150600000000, -0.0001841500000000, 0.0000227800000000 ] - [ -0.0015671900000000, 0.0000000000000000, -0.0009864400000000 ] - [ -0.0016392600000000, 0.0000000000000000, 0.0012688900000000 ] - [ 0.0049059900000000, 0.0000000000000000, 0.0036408700000000 ] - [ 0.0042866100000000, 0.0000000000000000, 0.0012439700000000 ] - [ -0.0014289900000000, 0.0000000000000000, 0.0013185700000000 ] - [ -0.0013738000000000, 0.0000000000000000, -0.0002046100000000 ] - [ -0.0011423000000000, 0.0000000000000000, 0.0002171000000000 ] - [ -0.0010928800000000, 0.0000000000000000, -0.0002056400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000197600000000, 0.0021623700000000, 0.0001522700000000 ] - [ -0.0000057600000000, 0.0010661100000000, -0.0000327700000000 ] - [ 0.0000005100000000, -0.0031230600000000, -0.0001212600000000 ] - [ -0.0001463700000000, -0.0000000100000000, 0.0000113500000000 ] - [ 0.0001216600000000, 0.0002495800000000, -0.0000069300000000 ] - [ 0.0000016400000000, -0.0000805600000000, 0.0000187200000000 ] - [ -0.0000168900000000, -0.0000015400000000, 0.0001544800000000 ] - [ 0.0000099400000000, 0.0000040000000000, -0.0000016900000000 ] - [ 0.0000293200000000, -0.0000005900000000, -0.0001634300000000 ] - [ -0.0001392300000000, -0.0000013300000000, 0.0000113900000000 ] - [ 0.0001550200000000, 0.0000001100000000, -0.0000017800000000 ] - [ 0.0000063800000000, -0.0000008300000000, 0.0000032400000000 ] - [ 0.0003512700000000, -0.0000398300000000, -0.0004882200000000 ] - [ -0.0003652100000000, -0.0000224900000000, 0.0005078900000000 ] - [ -0.0000435500000000, 0.0001229800000000, -0.0006050700000000 ] - [ 0.0000598900000000, 0.0051419300000000, 0.0003839400000000 ] - [ 0.0003687400000000, 0.0001208600000000, -0.0004807100000000 ] - [ -0.0003358200000000, -0.0000001000000000, 0.0004858300000000 ] - [ -0.0000570200000000, 0.0000022200000000, -0.0006081800000000 ] - [ 0.0000690300000000, -0.0000005000000000, 0.0006098300000000 ] - [ 0.0000803400000000, -0.0000066000000000, 0.0000074100000000 ] - [ -0.0009021900000000, 0.0000075600000000, -0.0002493200000000 ] - [ -0.0002161500000000, -0.0009604600000000, -0.0002804800000000 ] - [ -0.0005346700000000, 0.0000144900000000, -0.0004516600000000 ] - [ 0.0009400800000000, 0.0007865000000000, 0.0002585400000000 ] - [ -0.0000883600000000, -0.0000183900000000, -0.0000113500000000 ] - [ 0.0004998900000000, -0.0000402200000000, 0.0004392700000000 ] - [ 0.0009596800000000, -0.0012384100000000, 0.0003271200000000 ] - [ -0.0015891000000000, 0.0887915600000000, -0.0006019300000000 ] - [ 0.0001850700000000, -0.0000868400000000, 0.0002716200000000 ] - [ 0.0000886400000000, -0.0017542700000000, 0.0000124500000000 ] - [ -0.0009287200000000, -0.0000054700000000, -0.0002569700000000 ] - [ -0.0001670000000000, -0.0000101100000000, -0.0002693500000000 ] - [ -0.0005227600000000, 0.0000089400000000, -0.0004457200000000 ] - [ 0.0009309900000000, 0.0000015100000000, 0.0002594300000000 ] - [ -0.0000637400000000, -0.0000014400000000, -0.0000020700000000 ] - [ 0.0005307800000000, 0.0000007000000000, 0.0004514200000000 ] - [ 0.0009553600000000, 0.0000101200000000, 0.0003258100000000 ] - [ -0.0009394800000000, 0.0000000200000000, -0.0003205200000000 ] - [ 0.0001937400000000, 0.0000016400000000, 0.0002720000000000 ] - [ -0.0001209600000000, 0.0000956300000000, 0.0000880500000000 ] - [ -0.0005421100000000, 0.0000016400000000, -0.0001962200000000 ] - [ 0.0001431300000000, 0.0003071900000000, -0.0005055700000000 ] - [ 0.0001772600000000, 0.0000001800000000, 0.0000348800000000 ] - [ 0.0003247700000000, -0.1295322800000000, 0.0004446100000000 ] - [ -0.0002396600000000, -0.0000284200000000, 0.0000133100000000 ] - [ -0.0000353100000000, -0.0000099100000000, 0.0002610700000000 ] - [ 0.0000218800000000, 0.0004610100000000, -0.0000007500000000 ] - [ -0.0002379300000000, 0.0000371800000000, 0.0000011800000000 ] - [ 0.0000208400000000, -0.0004653400000000, 0.0000027800000000 ] - [ 0.0003453800000000, -0.0001129300000000, 0.0001003500000000 ] - [ 0.0000194600000000, 0.0003262900000000, 0.0001726900000000 ] - [ -0.0004430200000000, 0.0005279000000000, -0.0006547800000000 ] - [ -0.0003227800000000, 0.0001115300000000, -0.0001264600000000 ] - [ -0.0001182300000000, 0.0002901100000000, -0.0001140000000000 ] - [ -0.0587186900000000, 0.0123040900000000, -0.0198340600000000 ] - [ 0.0002415200000000, 0.0000371500000000, -0.0000065400000000 ] - [ -0.0011950100000000, 0.0005372000000000, -0.0007746400000000 ] - [ -0.0003510700000000, -0.0000927900000000, -0.0000979800000000 ] - [ -0.0001773000000000, -0.0000004600000000, -0.0000381600000000 ] - [ 0.0009948300000000, 0.0006533700000000, 0.0001483800000000 ] - [ 0.0002421400000000, -0.0000280300000000, 0.0000011300000000 ] - [ 0.0000459900000000, 0.0000409700000000, -0.0002594000000000 ] - [ 0.0005488200000000, -0.0000058000000000, 0.0001954600000000 ] - [ 0.0003872600000000, 0.0014994400000000, 0.0005745300000000 ] - [ -0.0000192000000000, 0.0000903900000000, 0.0002488500000000 ] - [ -0.0001351500000000, 0.0004248100000000, 0.0002291600000000 ] - [ 0.0003336500000000, 0.0000938600000000, 0.0001170000000000 ] - [ -0.0009527300000000, -0.0000049700000000, -0.0001477400000000 ] - [ 0.0604693300000000, 0.0121558200000000, 0.0205180000000000 ] - [ -0.0000787200000000, 0.0000053000000000, 0.0001740800000000 ] - [ -0.0005518100000000, -0.0000003200000000, -0.0001974100000000 ] - [ 0.0000601700000000, 0.0000031200000000, -0.0001747800000000 ] - [ 0.0001691600000000, 0.0000002900000000, 0.0000378800000000 ] - [ 0.0001002000000000, -0.0000000500000000, 0.0001093900000000 ] - [ -0.0002567000000000, -0.0000294700000000, 0.0000014700000000 ] - [ -0.0000584900000000, 0.0000015200000000, 0.0002602600000000 ] - [ 0.0000226700000000, 0.0004718700000000, -0.0000013500000000 ] - [ -0.0002452900000000, 0.0000320200000000, 0.0000015500000000 ] - [ 0.0000260800000000, -0.0004631700000000, 0.0000070500000000 ] - [ 0.0003368300000000, -0.0001085400000000, 0.0001038000000000 ] - [ 0.0000732700000000, 0.0000061000000000, -0.0001734700000000 ] - [ -0.0000265900000000, -0.0004676300000000, -0.0000025700000000 ] - [ -0.0003445200000000, 0.0001014500000000, -0.0001086600000000 ] - [ -0.0001084400000000, 0.0000096200000000, -0.0001088600000000 ] - [ 0.0006508600000000, -0.0000515900000000, 0.0002651300000000 ] - [ -0.0008848300000000, 0.0012238700000000, -0.0005303100000000 ] - [ -0.0006603200000000, 0.0000544600000000, -0.0002685500000000 ] - [ -0.0003444600000000, -0.0001020300000000, -0.0001087300000000 ] - [ -0.0001929300000000, -0.0001355700000000, -0.0000405800000000 ] - [ 0.0009433300000000, 0.0000023200000000, 0.0001478800000000 ] - [ 0.0013338100000000, 0.0011632100000000, 0.0005257000000000 ] - [ 0.0000371200000000, 0.0004194700000000, -0.0002673100000000 ] - [ 0.0005383300000000, 0.0000011700000000, 0.0001950400000000 ] - [ -0.0000266000000000, 0.0004672000000000, -0.0000024100000000 ] - [ -0.0000784200000000, -0.0000056900000000, 0.0001736500000000 ] - [ -0.0006581800000000, -0.0000558300000000, -0.0002643800000000 ] - [ 0.0003351800000000, 0.0001048900000000, 0.0001054600000000 ] - [ -0.0009521700000000, -0.0000006700000000, -0.0001461200000000 ] - [ 0.0006511600000000, 0.0000512300000000, 0.0002650600000000 ] - [ 0.0000498000000000, 0.0000451300000000, -0.0001532900000000 ] - [ 0.0001965700000000, -0.0001657000000000, 0.0001764800000000 ] - [ -0.0000599600000000, 0.0070970700000000, 0.0002211100000000 ] - [ -0.0001878200000000, -0.0004551500000000, -0.0001888500000000 ] - [ 0.0000558600000000, -0.0000284200000000, -0.0001490300000000 ] - [ 0.0001993700000000, -0.0000054600000000, 0.0001737400000000 ] - [ -0.0000601000000000, -0.0000004800000000, 0.0001527400000000 ] - [ -0.0002062400000000, -0.0000005400000000, -0.0001704800000000 ]- atom: 45 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0020306800000000, 0.0000000000000000, 0.0008670000000000 ] - [ 0.0000963800000000, 0.0000000000000000, 0.0042054100000000 ] - [ -0.0010970600000000, 0.0000000000000000, -0.0030378100000000 ] - [ 0.0001341400000000, 0.0000000000000000, -0.0007210400000000 ] - [ 0.0039895000000000, 0.0000000000000000, -0.0020220500000000 ] - [ -0.0009546100000000, 0.0000000000000000, -0.0027429100000000 ] - [ -0.0002409900000000, 0.0000000000000000, 0.0010416900000000 ] - [ -0.0005260100000000, 0.0000000000000000, 0.0000550000000000 ] - [ -0.0000560200000000, 0.0000000000000000, -0.0002064400000000 ] - [ -0.0005684700000000, 0.0000000000000000, -0.0006033000000000 ] - [ -0.0003869400000000, 0.0000000000000000, -0.0000444800000000 ] - [ -0.0001485100000000, 0.0000000000000000, -0.0001232500000000 ] - [ 0.0004682700000000, 0.0000000000000000, 0.0003531900000000 ] - [ 0.0006327100000000, 0.0000000000000000, -0.0036083500000000 ] - [ -0.0006809100000000, 0.0000000000000000, -0.0014278900000000 ] - [ 0.0016557900000000, 0.0000000000000000, 0.0183073000000000 ] - [ -0.0023952000000000, 0.0000000000000000, 0.0006370600000000 ] - [ -0.0007867200000000, 0.0000000000000000, 0.0001696400000000 ] - [ 0.0008127300000000, 0.0000000000000000, -0.0019469600000000 ] - [ -0.0005274800000000, 0.0000000000000000, 0.0008799200000000 ] - [ -0.0003073900000000, 0.0000000000000000, -0.0000898300000000 ] - [ -0.0012627000000000, 0.0000000000000000, -0.0003796000000000 ] - [ 0.0028659500000000, 0.0000000000000000, 0.0004213300000000 ] - [ 0.0000696900000000, 0.0000000000000000, -0.0001228300000000 ] - [ -0.0064468900000000, 0.0000000000000000, -0.0022173500000000 ] - [ -0.0000050300000000, 0.0000000000000000, -0.0002061400000000 ] - [ 0.0008984300000000, 0.0000000000000000, 0.0003889000000000 ] - [ 0.0000606700000000, 0.0000000000000000, -0.0000046200000000 ] - [ 0.0541349300000000, 0.0000000000000000, 0.0977174600000000 ] - [ -0.0001408900000000, 0.0000000000000000, 0.0001914800000000 ] - [ -0.0007176700000000, 0.0000000000000000, -0.0004744700000000 ] - [ -0.0014178400000000, 0.0000000000000000, -0.0005591100000000 ] - [ -0.0009219000000000, 0.0000000000000000, -0.0003014800000000 ] - [ -0.0016024200000000, 0.0000000000000000, -0.0009625300000000 ] - [ 0.0006594900000000, 0.0000000000000000, 0.0001897700000000 ] - [ -0.0004709000000000, 0.0000000000000000, -0.0001382600000000 ] - [ 0.0000484400000000, 0.0000000000000000, 0.0002288900000000 ] - [ 0.0018489800000000, 0.0000000000000000, 0.0008097400000000 ] - [ -0.0011874000000000, 0.0000000000000000, -0.0003921900000000 ] - [ 0.0000218900000000, 0.0000000000000000, 0.0002263700000000 ] - [ 0.0000414000000000, -0.0000825400000000, 0.0007459300000000 ] - [ -0.0009932200000000, 0.0000000000000000, 0.0000776800000000 ] - [ -0.0011579400000000, 0.0006767100000000, -0.0009379300000000 ] - [ 0.0000108900000000, 0.0000000000000000, 0.0011069300000000 ] - [ -0.1023596600000000, 0.0000000000000000, -0.0864439000000000 ] - [ -0.0005490500000000, -0.0001786500000000, 0.0005649600000000 ] - [ -0.0002238700000000, 0.0000000000000000, 0.0008939700000000 ] - [ 0.0001301300000000, 0.0005868100000000, 0.0002358000000000 ] - [ -0.0005490500000000, 0.0001786500000000, 0.0005649600000000 ] - [ 0.0001301300000000, -0.0005868100000000, 0.0002358000000000 ] - [ 0.0001594800000000, -0.0002784200000000, -0.0000204100000000 ] - [ -0.0011579400000000, -0.0006767100000000, -0.0009379300000000 ] - [ 0.0024443600000000, -0.0014958600000000, 0.0065900700000000 ] - [ -0.0007175600000000, 0.0002548900000000, 0.0009769500000000 ] - [ 0.0005296300000000, 0.0000000000000000, 0.0001232700000000 ] - [ 0.0231304600000000, -0.0117739200000000, -0.0189234100000000 ] - [ 0.0004297700000000, -0.0000104000000000, -0.0000448000000000 ] - [ -0.0001788900000000, -0.0000115700000000, 0.0001192700000000 ] - [ -0.0007175600000000, -0.0002548900000000, 0.0009769500000000 ] - [ 0.0000082400000000, 0.0000000000000000, -0.0000159200000000 ] - [ -0.0026589000000000, 0.0000000000000000, -0.0005903800000000 ] - [ 0.0004297700000000, 0.0000104000000000, -0.0000448000000000 ] - [ 0.0004410400000000, 0.0000000000000000, -0.0005636100000000 ] - [ -0.0002622000000000, 0.0000000000000000, 0.0004453100000000 ] - [ 0.0024443600000000, 0.0014958600000000, 0.0065900700000000 ] - [ 0.0000414000000000, 0.0000825400000000, 0.0007459300000000 ] - [ -0.0001788900000000, 0.0000115700000000, 0.0001192700000000 ] - [ 0.0001594800000000, 0.0002784200000000, -0.0000204100000000 ] - [ -0.0007831900000000, 0.0000000000000000, 0.0000398700000000 ] - [ 0.0231304600000000, 0.0117739200000000, -0.0189234100000000 ] - [ 0.0000779100000000, 0.0000126900000000, 0.0002744700000000 ] - [ -0.0001646500000000, 0.0000000000000000, -0.0000639100000000 ] - [ 0.0005964000000000, -0.0000052000000000, -0.0002886300000000 ] - [ 0.0004622200000000, 0.0000000000000000, 0.0001139600000000 ] - [ 0.0003027100000000, 0.0000000000000000, 0.0000972800000000 ] - [ 0.0000215000000000, -0.0000561200000000, 0.0001104200000000 ] - [ 0.0002404700000000, 0.0000000000000000, 0.0003839300000000 ] - [ 0.0002493300000000, 0.0005850000000000, 0.0006205200000000 ] - [ 0.0000215000000000, 0.0000561200000000, 0.0001104200000000 ] - [ 0.0002493300000000, -0.0005850000000000, 0.0006205200000000 ] - [ 0.0009696000000000, 0.0001337900000000, 0.0004536800000000 ] - [ 0.0005964000000000, 0.0000052000000000, -0.0002886300000000 ] - [ 0.0001435200000000, -0.0004448700000000, -0.0000161200000000 ] - [ -0.0001324200000000, 0.0002126500000000, 0.0000446400000000 ] - [ -0.0012981700000000, 0.0000000000000000, 0.0003686200000000 ] - [ 0.0007879500000000, -0.0000821300000000, 0.0002241200000000 ] - [ 0.0021760700000000, -0.0005233300000000, -0.0013230800000000 ] - [ -0.0009403600000000, 0.0002958400000000, -0.0004607700000000 ] - [ -0.0001324200000000, -0.0002126500000000, 0.0000446400000000 ] - [ 0.0043179400000000, 0.0000000000000000, 0.0003171400000000 ] - [ 0.0016242900000000, 0.0000000000000000, 0.0000810400000000 ] - [ 0.0021760700000000, 0.0005233300000000, -0.0013230800000000 ] - [ 0.0012020700000000, 0.0000000000000000, 0.0000948300000000 ] - [ 0.0013960700000000, 0.0000000000000000, 0.0006025300000000 ] - [ 0.0001435200000000, 0.0004448700000000, -0.0000161200000000 ] - [ 0.0000779100000000, -0.0000126900000000, 0.0002744700000000 ] - [ -0.0009403600000000, -0.0002958400000000, -0.0004607700000000 ] - [ 0.0009696000000000, -0.0001337900000000, 0.0004536800000000 ] - [ -0.0009259800000000, 0.0000000000000000, 0.0001267200000000 ] - [ 0.0007879500000000, 0.0000821300000000, 0.0002241200000000 ] - [ 0.0005008700000000, 0.0000000000000000, 0.0001145800000000 ] - [ 0.0006536400000000, 0.0000000000000000, -0.0003581600000000 ] - [ -0.0005682400000000, 0.0000000000000000, -0.0018787800000000 ] - [ 0.0001070100000000, 0.0000000000000000, 0.0040251200000000 ] - [ -0.0005986700000000, 0.0000000000000000, -0.0003108600000000 ] - [ 0.0001480800000000, 0.0000000000000000, -0.0009749100000000 ] - [ 0.0001072300000000, 0.0000000000000000, 0.0000630900000000 ] - [ -0.0000962900000000, 0.0000000000000000, -0.0001240000000000 ]- atom: 45 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0020385100000000, 0.0000000000000000, -0.0005693800000000 ] - [ -0.0002225700000000, 0.0000000000000000, -0.0041375200000000 ] - [ 0.0010827200000000, 0.0000000000000000, 0.0027788200000000 ] - [ -0.0004269100000000, 0.0000000000000000, 0.0007444500000000 ] - [ -0.0037480400000000, 0.0000000000000000, 0.0020292300000000 ] - [ 0.0009625900000000, 0.0000000000000000, 0.0027538900000000 ] - [ 0.0002057700000000, 0.0000000000000000, -0.0007169200000000 ] - [ 0.0005417300000000, 0.0000000000000000, -0.0000571800000000 ] - [ 0.0001046700000000, 0.0000000000000000, -0.0001165100000000 ] - [ 0.0002919600000000, 0.0000000000000000, 0.0006215400000000 ] - [ 0.0006811400000000, 0.0000000000000000, 0.0000309500000000 ] - [ 0.0001540400000000, 0.0000000000000000, 0.0001274700000000 ] - [ 0.0002406100000000, 0.0000000000000000, -0.0013431000000000 ] - [ -0.0013557300000000, 0.0000000000000000, 0.0045883100000000 ] - [ 0.0006027700000000, 0.0000000000000000, 0.0002246600000000 ] - [ -0.0016439900000000, 0.0000000000000000, -0.0171404600000000 ] - [ 0.0031072000000000, 0.0000000000000000, -0.0016084900000000 ] - [ 0.0000994900000000, 0.0000000000000000, 0.0007982600000000 ] - [ -0.0008954500000000, 0.0000000000000000, 0.0007308500000000 ] - [ 0.0006343700000000, 0.0000000000000000, 0.0003360000000000 ] - [ 0.0004685000000000, 0.0000000000000000, 0.0001045500000000 ] - [ -0.0005584800000000, 0.0000000000000000, -0.0001264100000000 ] - [ -0.0032633300000000, 0.0000000000000000, -0.0009703200000000 ] - [ -0.0011130200000000, 0.0000000000000000, -0.0007690100000000 ] - [ 0.0083169100000000, 0.0000000000000000, 0.0027025500000000 ] - [ -0.0001601800000000, 0.0000000000000000, 0.0001909100000000 ] - [ 0.0001270000000000, 0.0000000000000000, 0.0004995700000000 ] - [ 0.0018831600000000, 0.0000000000000000, 0.0006676700000000 ] - [ -0.0557818500000000, 0.0000000000000000, -0.0992037200000000 ] - [ 0.0005138900000000, 0.0000000000000000, 0.0003532500000000 ] - [ 0.0008654500000000, 0.0000000000000000, 0.0004856900000000 ] - [ -0.0004123200000000, 0.0000000000000000, 0.0000517100000000 ] - [ 0.0005564700000000, 0.0000000000000000, -0.0002404300000000 ] - [ 0.0005504300000000, 0.0000000000000000, 0.0000665200000000 ] - [ 0.0011714300000000, 0.0000000000000000, 0.0003200600000000 ] - [ 0.0003362900000000, 0.0000000000000000, 0.0001326100000000 ] - [ 0.0010032300000000, 0.0000000000000000, 0.0006670800000000 ] - [ 0.0000893900000000, 0.0000000000000000, -0.0001472900000000 ] - [ -0.0007298300000000, 0.0000000000000000, -0.0002618700000000 ] - [ 0.0003556300000000, 0.0000000000000000, 0.0003173500000000 ] - [ -0.0001784800000000, 0.0000842100000000, -0.0004000900000000 ] - [ -0.0001005100000000, 0.0000000000000000, -0.0004748000000000 ] - [ 0.0013144400000000, -0.0006822500000000, 0.0005976200000000 ] - [ 0.0003385100000000, 0.0000000000000000, -0.0010334700000000 ] - [ 0.1028618200000000, 0.0000000000000000, 0.0881571900000000 ] - [ 0.0000618200000000, 0.0001146400000000, -0.0005497900000000 ] - [ 0.0001356900000000, 0.0000000000000000, -0.0003683200000000 ] - [ -0.0000815400000000, 0.0003432500000000, -0.0002357800000000 ] - [ 0.0000618200000000, -0.0001146400000000, -0.0005497900000000 ] - [ -0.0000815400000000, -0.0003432500000000, -0.0002357800000000 ] - [ 0.0005279100000000, 0.0000755900000000, 0.0002444100000000 ] - [ 0.0013144400000000, 0.0006822500000000, 0.0005976200000000 ] - [ -0.0025315200000000, 0.0006079800000000, -0.0066909500000000 ] - [ 0.0000381600000000, -0.0000459000000000, -0.0011956500000000 ] - [ -0.0007497700000000, 0.0000000000000000, -0.0003443400000000 ] - [ -0.0219648100000000, 0.0117287900000000, 0.0191283500000000 ] - [ 0.0000578100000000, 0.0000714700000000, 0.0000393900000000 ] - [ -0.0011366100000000, 0.0001207000000000, -0.0006621400000000 ] - [ 0.0000381600000000, 0.0000459000000000, -0.0011956500000000 ] - [ -0.0003623600000000, 0.0000000000000000, -0.0000551000000000 ] - [ 0.0045704900000000, 0.0000000000000000, 0.0008893600000000 ] - [ 0.0000578100000000, -0.0000714700000000, 0.0000393900000000 ] - [ -0.0003429700000000, 0.0000000000000000, 0.0000452700000000 ] - [ 0.0013726900000000, 0.0000000000000000, -0.0000462700000000 ] - [ -0.0025315200000000, -0.0006079800000000, -0.0066909500000000 ] - [ -0.0001784800000000, -0.0000842100000000, -0.0004000900000000 ] - [ -0.0011366100000000, -0.0001207000000000, -0.0006621400000000 ] - [ 0.0005279100000000, -0.0000755900000000, 0.0002444100000000 ] - [ -0.0011005700000000, 0.0000000000000000, -0.0003345300000000 ] - [ -0.0219648100000000, -0.0117287900000000, 0.0191283500000000 ] - [ -0.0002332000000000, -0.0000064100000000, 0.0000742600000000 ] - [ -0.0009468700000000, 0.0000000000000000, -0.0003374000000000 ] - [ -0.0004558600000000, 0.0000049500000000, -0.0000625200000000 ] - [ -0.0001209500000000, 0.0000000000000000, -0.0000413300000000 ] - [ -0.0001097100000000, 0.0000000000000000, 0.0001174000000000 ] - [ -0.0005204900000000, -0.0000035200000000, -0.0001073800000000 ] - [ -0.0003599400000000, 0.0000000000000000, 0.0001371400000000 ] - [ -0.0001984800000000, 0.0003478600000000, -0.0006134400000000 ] - [ -0.0005204900000000, 0.0000035200000000, -0.0001073800000000 ] - [ -0.0001984800000000, -0.0003478600000000, -0.0006134400000000 ] - [ -0.0002887000000000, -0.0003431500000000, -0.0002376400000000 ] - [ -0.0004558600000000, -0.0000049500000000, -0.0000625200000000 ] - [ -0.0001982700000000, -0.0004881500000000, 0.0000127100000000 ] - [ -0.0005568000000000, -0.0000081300000000, -0.0002651600000000 ] - [ 0.0010810100000000, 0.0000000000000000, -0.0005798300000000 ] - [ 0.0005115300000000, -0.0000234300000000, 0.0003059100000000 ] - [ -0.0016837900000000, 0.0005858600000000, 0.0013141500000000 ] - [ -0.0003746200000000, -0.0001857200000000, -0.0000715300000000 ] - [ -0.0005568000000000, 0.0000081300000000, -0.0002651600000000 ] - [ -0.0046891000000000, 0.0000000000000000, -0.0003875600000000 ] - [ 0.0002548100000000, 0.0000000000000000, 0.0002122500000000 ] - [ -0.0016837900000000, -0.0005858600000000, 0.0013141500000000 ] - [ -0.0010955800000000, 0.0000000000000000, -0.0006209300000000 ] - [ -0.0003009600000000, 0.0000000000000000, -0.0002045500000000 ] - [ -0.0001982700000000, 0.0004881500000000, 0.0000127100000000 ] - [ -0.0002332000000000, 0.0000064100000000, 0.0000742600000000 ] - [ -0.0003746200000000, 0.0001857200000000, -0.0000715300000000 ] - [ -0.0002887000000000, 0.0003431500000000, -0.0002376400000000 ] - [ -0.0009715600000000, 0.0000000000000000, -0.0004143600000000 ] - [ 0.0005115300000000, 0.0000234300000000, 0.0003059100000000 ] - [ -0.0003882000000000, 0.0000000000000000, -0.0004220500000000 ] - [ -0.0002479500000000, 0.0000000000000000, 0.0007047200000000 ] - [ 0.0004535300000000, 0.0000000000000000, 0.0021919200000000 ] - [ -0.0004896400000000, 0.0000000000000000, -0.0042985400000000 ] - [ 0.0007118100000000, 0.0000000000000000, 0.0000122900000000 ] - [ 0.0002565900000000, 0.0000000000000000, 0.0013103100000000 ] - [ -0.0002314700000000, 0.0000000000000000, 0.0002396000000000 ] - [ -0.0003195300000000, 0.0000000000000000, -0.0002188700000000 ]- atom: 46 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0010021500000000, -0.0000004200000000, 0.0007302300000000 ] - [ 0.0066723500000000, 0.0012574100000000, -0.0012560400000000 ] - [ -0.0041126200000000, -0.0001268300000000, 0.0056627200000000 ] - [ -0.0026195500000000, -0.0000388400000000, -0.0013664600000000 ] - [ 0.0003374200000000, 0.0000392400000000, -0.0018568700000000 ] - [ 0.0044967700000000, -0.0002968500000000, 0.0014376600000000 ] - [ -0.0009302300000000, 0.0000693500000000, -0.0028309400000000 ] - [ -0.0018649700000000, -0.0000002800000000, -0.0000464300000000 ] - [ -0.0028017300000000, -0.0000308200000000, -0.0006539800000000 ] - [ -0.0014625800000000, 0.0001009100000000, 0.0018291800000000 ] - [ -0.0009511200000000, -0.0000002500000000, 0.0000868200000000 ] - [ -0.0017436000000000, -0.0000004400000000, -0.0002743500000000 ] - [ -0.0015296900000000, 0.0000005900000000, -0.0010816500000000 ] - [ 0.0132591400000000, 0.0025478800000000, -0.0033542400000000 ] - [ -0.0038708800000000, -0.0000022200000000, -0.0001917200000000 ] - [ 0.0032051500000000, 0.0000057400000000, 0.0019100500000000 ] - [ 0.0020983800000000, 0.0000080200000000, -0.0011147300000000 ] - [ -0.0038471100000000, -0.0000040900000000, 0.0008431200000000 ] - [ 0.0024998700000000, -0.0001722500000000, 0.0004153800000000 ] - [ -0.0022509500000000, 0.0000001200000000, -0.0001487100000000 ] - [ -0.0014771300000000, -0.0000020400000000, -0.0004722200000000 ] - [ -0.0033731300000000, 0.0000032900000000, -0.0010286800000000 ] - [ -0.0003816800000000, 0.0000067200000000, -0.0003579300000000 ] - [ -0.0024522400000000, -0.0000075900000000, -0.0012967000000000 ] - [ 0.0040416800000000, 0.0000154000000000, 0.0011091400000000 ] - [ 0.1595913800000000, -0.1146525700000000, 0.0278116800000000 ] - [ -0.0023831700000000, -0.0008037400000000, -0.0011829100000000 ] - [ -0.0009826700000000, -0.0000037500000000, -0.0002515300000000 ] - [ 0.0010958700000000, -0.0000063100000000, 0.0008041200000000 ] - [ -0.0045238300000000, 0.0008508300000000, 0.0001067700000000 ] - [ 0.0019696700000000, 0.0001296700000000, 0.0002434900000000 ] - [ 0.0081593900000000, 0.0047004400000000, 0.0030236900000000 ] - [ -0.0012851900000000, 0.0000053500000000, -0.0003156500000000 ] - [ 0.0001068600000000, -0.0001182200000000, -0.0000521400000000 ] - [ -0.0009254200000000, -0.0000001900000000, -0.0003177900000000 ] - [ -0.0022776500000000, 0.0000003000000000, -0.0007215300000000 ] - [ -0.0008881400000000, 0.0000018500000000, -0.0000892100000000 ] - [ -0.0016756300000000, -0.0017929600000000, -0.0006956000000000 ] - [ -0.0027361000000000, 0.0000224200000000, -0.0009235300000000 ] - [ -0.0045618500000000, -0.0001453000000000, -0.0001475300000000 ] - [ 0.0035539200000000, -0.0011265500000000, 0.0004358700000000 ] - [ 0.0011424600000000, 0.0001052600000000, 0.0005656400000000 ] - [ 0.0004141600000000, 0.0001076400000000, -0.0000485100000000 ] - [ -0.0084015400000000, -0.0012080500000000, -0.0011103700000000 ] - [ -0.0017902900000000, -0.0000009600000000, -0.0003535300000000 ] - [ -0.2145259100000000, 0.1667634400000000, -0.0549682500000000 ] - [ 0.0557654400000000, -0.0612392600000000, 0.0276704000000000 ] - [ 0.0013021200000000, 0.0009291200000000, 0.0003529400000000 ] - [ -0.0305929500000000, 0.0051951300000000, -0.0018977700000000 ] - [ 0.0013065600000000, -0.0009336700000000, 0.0003535100000000 ] - [ 0.0013109100000000, 0.0002660400000000, 0.0006686100000000 ] - [ 0.0004161000000000, -0.0001101700000000, -0.0000451400000000 ] - [ -0.0015332800000000, -0.0009945100000000, -0.0001618200000000 ] - [ -0.0005588000000000, 0.0015363400000000, 0.0041880800000000 ] - [ 0.0014119700000000, -0.0000005700000000, 0.0002032200000000 ] - [ -0.0000066000000000, 0.0005412800000000, -0.0009135800000000 ] - [ 0.0012381300000000, -0.0000910300000000, 0.0002329000000000 ] - [ 0.0006578000000000, -0.0000560400000000, -0.0003892800000000 ] - [ -0.0007941200000000, -0.0006459200000000, 0.0030266200000000 ] - [ 0.0013883300000000, 0.0000002700000000, 0.0002069000000000 ] - [ 0.0007098300000000, -0.0000000100000000, 0.0005148700000000 ] - [ 0.0012382300000000, 0.0000919900000000, 0.0002327100000000 ] - [ 0.0012199400000000, -0.0000001200000000, 0.0000554600000000 ] - [ 0.0018198300000000, -0.0000000800000000, 0.0011440100000000 ] - [ -0.0015135300000000, 0.0009885500000000, -0.0001748200000000 ] - [ 0.0023443800000000, 0.0003969800000000, 0.0006129800000000 ] - [ 0.0006534100000000, 0.0000640700000000, -0.0003987600000000 ] - [ 0.0013129900000000, -0.0002644700000000, 0.0006723800000000 ] - [ 0.0035904500000000, -0.0002171800000000, -0.0003600900000000 ] - [ 0.0000031800000000, -0.0005117100000000, -0.0008857400000000 ] - [ 0.0020745900000000, -0.0007565500000000, 0.0002271100000000 ] - [ 0.0006883700000000, 0.0000046800000000, -0.0001223300000000 ] - [ 0.0003966300000000, -0.0002955400000000, 0.0001557300000000 ] - [ 0.0023619800000000, -0.0000011800000000, 0.0002362700000000 ] - [ 0.0015401800000000, -0.0000056800000000, 0.0005003700000000 ] - [ 0.0011703200000000, -0.0002104600000000, 0.0002830200000000 ] - [ 0.0017705000000000, -0.0000014400000000, 0.0005283300000000 ] - [ 0.0005857600000000, -0.0047892100000000, -0.0072176300000000 ] - [ 0.0011695200000000, 0.0002095700000000, 0.0002825200000000 ] - [ -0.0027066500000000, 0.0007230700000000, -0.0024263300000000 ] - [ -0.0001107400000000, -0.0001157800000000, -0.0004201700000000 ] - [ 0.0003931200000000, 0.0002890400000000, 0.0001549600000000 ] - [ 0.0008535100000000, -0.0001147600000000, 0.0003151300000000 ] - [ 0.0004808800000000, 0.0003119700000000, -0.0000423300000000 ] - [ 0.0038206600000000, -0.0010946600000000, 0.0021409500000000 ] - [ 0.0016921200000000, -0.0003239100000000, 0.0008257800000000 ] - [ -0.0011312600000000, -0.0000928300000000, 0.0002389800000000 ] - [ 0.0025346100000000, 0.0007992900000000, 0.0021071200000000 ] - [ 0.0004807500000000, -0.0003100300000000, -0.0000456900000000 ] - [ -0.0025614800000000, 0.0000002300000000, -0.0005391500000000 ] - [ 0.0019319500000000, 0.0000000600000000, 0.0001085300000000 ] - [ -0.0011908800000000, -0.0001322500000000, 0.0000365200000000 ] - [ -0.0013571900000000, -0.0000217800000000, -0.0002984600000000 ] - [ 0.0004068300000000, 0.0000094300000000, -0.0005867400000000 ] - [ 0.0008539200000000, 0.0001148100000000, 0.0003148600000000 ] - [ 0.0019857000000000, 0.0007156100000000, 0.0001424900000000 ] - [ 0.0013000600000000, 0.0006771700000000, 0.0006907700000000 ] - [ -0.0001906400000000, 0.0002122000000000, -0.0003217400000000 ] - [ 0.0047367400000000, -0.0001613200000000, -0.0024240100000000 ] - [ 0.0016731500000000, 0.0003026600000000, 0.0008056500000000 ] - [ 0.0008527800000000, -0.0000004000000000, -0.0004381000000000 ] - [ 0.0007469800000000, -0.0000000900000000, 0.0000456200000000 ] - [ -0.0019665600000000, -0.0003324500000000, -0.0017460700000000 ] - [ 0.0018357000000000, 0.0014830300000000, -0.0039289400000000 ] - [ -0.0000286100000000, 0.0017484800000000, 0.0053393300000000 ] - [ -0.0003545400000000, 0.0000093900000000, 0.0014614800000000 ] - [ 0.0008150500000000, -0.0000008800000000, 0.0003795800000000 ] - [ 0.0007401400000000, 0.0000051200000000, -0.0001778200000000 ]- atom: 46 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0009712800000000, -0.0000003100000000, -0.0004131400000000 ] - [ -0.0067446800000000, -0.0012852800000000, 0.0012198900000000 ] - [ 0.0041786000000000, 0.0001236800000000, -0.0059846500000000 ] - [ 0.0023424700000000, 0.0000387400000000, 0.0013830700000000 ] - [ -0.0000469900000000, -0.0000390000000000, 0.0018496800000000 ] - [ -0.0045160400000000, 0.0002967500000000, -0.0014351700000000 ] - [ 0.0008825900000000, -0.0000708300000000, 0.0031780600000000 ] - [ 0.0018742900000000, -0.0000004200000000, 0.0000470800000000 ] - [ 0.0028635900000000, 0.0000319400000000, 0.0003373700000000 ] - [ 0.0011744600000000, -0.0001010700000000, -0.0018393500000000 ] - [ 0.0012424100000000, 0.0000000000000000, -0.0001010800000000 ] - [ 0.0017519300000000, -0.0000007300000000, 0.0002749100000000 ] - [ 0.0022356100000000, 0.0000034300000000, 0.0001088600000000 ] - [ -0.0135961500000000, -0.0023625200000000, 0.0046408100000000 ] - [ 0.0037989300000000, -0.0000020800000000, -0.0010355800000000 ] - [ -0.0031079300000000, -0.0000052900000000, -0.0007149400000000 ] - [ -0.0014197700000000, -0.0000034200000000, 0.0001442400000000 ] - [ 0.0031774100000000, 0.0000033000000000, 0.0001245300000000 ] - [ -0.0033186300000000, -0.0001634400000000, -0.0016303400000000 ] - [ 0.0023498200000000, 0.0000034900000000, 0.0013783000000000 ] - [ 0.0016239100000000, -0.0000031500000000, 0.0004819700000000 ] - [ 0.0015525000000000, -0.0000003100000000, 0.0005239700000000 ] - [ 0.0000287000000000, 0.0000023900000000, -0.0001832700000000 ] - [ 0.0014138800000000, -0.0000019000000000, 0.0004076400000000 ] - [ -0.0022187700000000, -0.0000113800000000, -0.0006047700000000 ] - [ -0.1583898300000000, 0.1088297400000000, -0.0267558300000000 ] - [ 0.0034269900000000, 0.0007896400000000, 0.0020743000000000 ] - [ 0.0028975700000000, 0.0000062000000000, 0.0009047800000000 ] - [ -0.0029732400000000, 0.0000007900000000, -0.0014497700000000 ] - [ 0.0049173400000000, -0.0008406000000000, 0.0004368200000000 ] - [ -0.0018645700000000, -0.0001395900000000, -0.0002447400000000 ] - [ -0.0101213500000000, -0.0047341000000000, -0.0035448600000000 ] - [ 0.0009138500000000, -0.0000015200000000, -0.0002251900000000 ] - [ -0.0011878000000000, 0.0001276400000000, -0.0008585300000000 ] - [ 0.0027697800000000, 0.0000047900000000, 0.0008305200000000 ] - [ 0.0021512500000000, -0.0000003800000000, 0.0007185200000000 ] - [ 0.0019292600000000, 0.0000011700000000, 0.0009789600000000 ] - [ 0.0035605200000000, 0.0018187600000000, 0.0013388500000000 ] - [ 0.0008520900000000, -0.0000214200000000, 0.0002806400000000 ] - [ 0.0049700800000000, 0.0001329600000000, 0.0006934000000000 ] - [ -0.0037102700000000, 0.0011299300000000, -0.0000896400000000 ] - [ -0.0022457400000000, -0.0001049100000000, -0.0009629000000000 ] - [ -0.0002710300000000, -0.0001153600000000, -0.0003002700000000 ] - [ 0.0088324600000000, 0.0011943000000000, 0.0011617500000000 ] - [ 0.0019961200000000, 0.0000007500000000, 0.0005742800000000 ] - [ 0.2122008300000000, -0.1601905300000000, 0.0529473000000000 ] - [ -0.0547336400000000, 0.0598957800000000, -0.0263696200000000 ] - [ -0.0012621800000000, 0.0000010100000000, -0.0003490600000000 ] - [ 0.0300584800000000, -0.0044534400000000, 0.0018602800000000 ] - [ -0.0012660000000000, 0.0000030100000000, -0.0003501400000000 ] - [ -0.0006351700000000, -0.0004726000000000, -0.0004533200000000 ] - [ -0.0002740700000000, 0.0001182800000000, -0.0003017900000000 ] - [ 0.0014910700000000, 0.0000645200000000, 0.0001574600000000 ] - [ -0.0001230300000000, -0.0013289200000000, -0.0044016300000000 ] - [ -0.0016294500000000, 0.0000002100000000, -0.0004230500000000 ] - [ 0.0013220800000000, -0.0006556900000000, 0.0014498500000000 ] - [ -0.0007519200000000, 0.0001530300000000, -0.0002408800000000 ] - [ -0.0019799700000000, 0.0001670700000000, -0.0001453600000000 ] - [ 0.0001080400000000, 0.0004485300000000, -0.0032517300000000 ] - [ -0.0017469600000000, 0.0000008400000000, -0.0002831600000000 ] - [ 0.0011809200000000, 0.0000007400000000, -0.0002233800000000 ] - [ -0.0007516400000000, -0.0001527700000000, -0.0002409600000000 ] - [ -0.0011269300000000, -0.0000001000000000, -0.0005809900000000 ] - [ -0.0007322800000000, -0.0000004200000000, -0.0007506900000000 ] - [ 0.0014715300000000, -0.0000599000000000, 0.0001703200000000 ] - [ -0.0025050800000000, -0.0004041000000000, -0.0002658000000000 ] - [ -0.0019757800000000, -0.0001750800000000, -0.0001347100000000 ] - [ -0.0006375100000000, 0.0004701700000000, -0.0004560900000000 ] - [ -0.0055018500000000, 0.0002163200000000, 0.0000679000000000 ] - [ 0.0013128700000000, 0.0006275900000000, 0.0014212800000000 ] - [ -0.0022426700000000, 0.0007755100000000, 0.0001188600000000 ] - [ -0.0017888600000000, -0.0000047100000000, -0.0002733000000000 ] - [ -0.0002483100000000, 0.0002894000000000, -0.0005048800000000 ] - [ -0.0020261600000000, 0.0000009000000000, -0.0001617800000000 ] - [ -0.0013414800000000, 0.0000058300000000, -0.0002850300000000 ] - [ -0.0016710200000000, 0.0001484500000000, -0.0002789800000000 ] - [ -0.0018854200000000, 0.0000010900000000, -0.0000082100000000 ] - [ -0.0005542200000000, 0.0057786900000000, 0.0073227500000000 ] - [ -0.0016702700000000, -0.0001479500000000, -0.0002778600000000 ] - [ 0.0027936900000000, -0.0016758300000000, 0.0024554400000000 ] - [ 0.0007968400000000, -0.0000879600000000, 0.0006402000000000 ] - [ -0.0002454800000000, -0.0002832100000000, -0.0005028100000000 ] - [ -0.0009060600000000, -0.0008189000000000, -0.0003213300000000 ] - [ -0.0011686900000000, -0.0001090900000000, -0.0001749600000000 ] - [ -0.0040630100000000, 0.0011250300000000, -0.0023850900000000 ] - [ -0.0003808500000000, 0.0002131500000000, -0.0002959200000000 ] - [ 0.0016342700000000, 0.0001520800000000, -0.0002421800000000 ] - [ -0.0038770300000000, -0.0007152800000000, -0.0026728400000000 ] - [ -0.0011684500000000, 0.0001075000000000, -0.0001724800000000 ] - [ 0.0022268300000000, 0.0000004400000000, 0.0004626900000000 ] - [ -0.0000387400000000, 0.0000006300000000, 0.0001855600000000 ] - [ 0.0016959900000000, 0.0000785700000000, -0.0000360100000000 ] - [ 0.0014736200000000, 0.0000219500000000, -0.0002242600000000 ] - [ 0.0006928300000000, -0.0000084300000000, 0.0009877400000000 ] - [ -0.0009058200000000, 0.0008195900000000, -0.0003217800000000 ] - [ -0.0021504500000000, -0.0007346300000000, 0.0002031700000000 ] - [ -0.0026262300000000, -0.0007892000000000, -0.0012301300000000 ] - [ 0.0008778400000000, -0.0000082500000000, 0.0005397800000000 ] - [ -0.0066912300000000, 0.0001658200000000, 0.0021639200000000 ] - [ -0.0003617900000000, -0.0001926200000000, -0.0002767100000000 ] - [ -0.0007441900000000, 0.0000000400000000, 0.0001325300000000 ] - [ -0.0003464400000000, 0.0000000300000000, 0.0002953800000000 ] - [ 0.0018457400000000, 0.0003331700000000, 0.0020764700000000 ] - [ -0.0022451200000000, -0.0014638800000000, 0.0035768300000000 ] - [ 0.0001656800000000, -0.0017694100000000, -0.0057161700000000 ] - [ 0.0007701400000000, -0.0000090600000000, -0.0011238600000000 ] - [ -0.0009327800000000, 0.0000008700000000, -0.0000801000000000 ] - [ -0.0011519600000000, -0.0000052300000000, -0.0001658500000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000336400000000, 0.0000014700000000, -0.0000939400000000 ] - [ -0.0004124700000000, -0.0033054800000000, -0.0034999600000000 ] - [ 0.0017110600000000, 0.0004261000000000, -0.0031677800000000 ] - [ 0.0002562800000000, -0.0000194800000000, 0.0003592600000000 ] - [ -0.0000961500000000, -0.0000136600000000, 0.0003805600000000 ] - [ -0.0007138600000000, 0.0003624400000000, -0.0000656900000000 ] - [ 0.0003537700000000, -0.0000086600000000, 0.0000870700000000 ] - [ 0.0002520100000000, 0.0000002000000000, -0.0000823800000000 ] - [ 0.0002983000000000, 0.0000114900000000, -0.0002593800000000 ] - [ 0.0003043100000000, -0.0001179700000000, 0.0001339600000000 ] - [ 0.0004262500000000, 0.0000001700000000, 0.0000921400000000 ] - [ 0.0002304700000000, -0.0000002300000000, 0.0001028800000000 ] - [ 0.0004955000000000, 0.0000039600000000, -0.0003936200000000 ] - [ -0.0028376400000000, -0.0095988000000000, 0.0023966800000000 ] - [ 0.0005505900000000, 0.0000019600000000, -0.0006529800000000 ] - [ -0.0011830100000000, -0.0000565700000000, 0.0007528800000000 ] - [ 0.0006794800000000, 0.0000273200000000, 0.0001240500000000 ] - [ -0.0000572900000000, -0.0000027400000000, 0.0005406300000000 ] - [ 0.0023622200000000, 0.0126001400000000, -0.0004600500000000 ] - [ 0.0004353700000000, 0.0000019700000000, 0.0006067000000000 ] - [ 0.0002422900000000, -0.0000009800000000, 0.0000500800000000 ] - [ -0.0005725100000000, 0.0000031800000000, -0.0001440000000000 ] - [ -0.0004710800000000, -0.0000047500000000, -0.0002693300000000 ] - [ -0.0002837100000000, -0.0000091800000000, -0.0003349400000000 ] - [ 0.0002988200000000, 0.0000294500000000, 0.0001263200000000 ] - [ -0.1103978300000000, 0.2860938800000000, -0.0367786400000000 ] - [ 0.0009239000000000, 0.0000468800000000, 0.0014178700000000 ] - [ 0.0013504600000000, -0.0000169400000000, 0.0004400200000000 ] - [ -0.0022321500000000, -0.0000258500000000, -0.0006934100000000 ] - [ 0.0005957400000000, 0.0006205700000000, 0.0001684500000000 ] - [ 0.0007640900000000, -0.0006957500000000, -0.0000264700000000 ] - [ 0.0006159700000000, -0.0053488000000000, -0.0002304600000000 ] - [ 0.0002552600000000, -0.0000041500000000, -0.0002443700000000 ] - [ -0.0001659300000000, 0.0001192900000000, -0.0003005000000000 ] - [ 0.0011896600000000, 0.0000009700000000, 0.0003415300000000 ] - [ 0.0001857500000000, 0.0000009900000000, 0.0000741900000000 ] - [ 0.0008248700000000, -0.0000011100000000, 0.0005927000000000 ] - [ 0.0028935400000000, 0.0010375500000000, 0.0010846300000000 ] - [ -0.0007068200000000, -0.0000063800000000, -0.0002498400000000 ] - [ -0.0001421400000000, -0.0000353600000000, 0.0000678100000000 ] - [ 0.0006473400000000, 0.0010192000000000, -0.0004892000000000 ] - [ -0.0006420500000000, -0.0000616900000000, -0.0002896700000000 ] - [ 0.0001608000000000, -0.0000683500000000, -0.0001824800000000 ] - [ -0.0007867800000000, 0.0033090600000000, 0.0020326200000000 ] - [ 0.0012858600000000, 0.0000052000000000, 0.0000580200000000 ] - [ 0.1567284100000000, -0.4119454600000000, 0.0537271500000000 ] - [ -0.0430714100000000, 0.0096558800000000, -0.0130265300000000 ] - [ -0.0001562700000000, 0.0003941700000000, -0.0000738700000000 ] - [ -0.0049793200000000, 0.1086139600000000, -0.0008291100000000 ] - [ -0.0001517800000000, -0.0003987800000000, -0.0000734200000000 ] - [ 0.0002216500000000, -0.0001497800000000, 0.0000067700000000 ] - [ 0.0001586300000000, 0.0000707100000000, -0.0001848100000000 ] - [ 0.0003110500000000, -0.0003968400000000, -0.0000730900000000 ] - [ -0.0005068800000000, 0.0010929300000000, -0.0005321700000000 ] - [ -0.0003738900000000, 0.0000048600000000, -0.0001725300000000 ] - [ 0.0011359200000000, -0.0004176300000000, 0.0007150400000000 ] - [ 0.0001269100000000, 0.0000358500000000, -0.0000123300000000 ] - [ -0.0010064200000000, -0.0000047700000000, -0.0002178700000000 ] - [ -0.0000673200000000, -0.0003722500000000, -0.0009744900000000 ] - [ -0.0003920600000000, 0.0000007000000000, -0.0000954400000000 ] - [ 0.0013007000000000, 0.0000006800000000, 0.0000052200000000 ] - [ 0.0001266000000000, -0.0000353000000000, -0.0000127400000000 ] - [ -0.0000660500000000, 0.0000002400000000, -0.0002989500000000 ] - [ 0.0004291000000000, -0.0000014200000000, 0.0000147500000000 ] - [ 0.0003015300000000, 0.0003751300000000, -0.0000731000000000 ] - [ -0.0006551700000000, -0.0006183800000000, 0.0000594600000000 ] - [ -0.0009856400000000, 0.0000126500000000, -0.0002216500000000 ] - [ 0.0002220200000000, 0.0001524200000000, 0.0000108600000000 ] - [ -0.0017240000000000, -0.0001493700000000, -0.0000701800000000 ] - [ 0.0011214300000000, 0.0004200300000000, 0.0006941200000000 ] - [ -0.0000330400000000, -0.0001167700000000, 0.0002009900000000 ] - [ -0.0007987300000000, -0.0000042600000000, -0.0002837000000000 ] - [ -0.0001668800000000, 0.0000451300000000, -0.0002332500000000 ] - [ -0.0001151100000000, -0.0000010700000000, -0.0000223400000000 ] - [ -0.0001011700000000, 0.0000022000000000, 0.0000669300000000 ] - [ -0.0004216800000000, -0.0000161100000000, -0.0000196800000000 ] - [ -0.0002520900000000, 0.0000006900000000, 0.0002216200000000 ] - [ -0.0015815100000000, 0.0015776100000000, 0.0021724500000000 ] - [ -0.0004212000000000, 0.0000172200000000, -0.0000196200000000 ] - [ 0.0001568300000000, 0.0014979700000000, -0.0019126700000000 ] - [ 0.0001757400000000, -0.0002490600000000, 0.0000640700000000 ] - [ -0.0001614100000000, -0.0000395400000000, -0.0002336400000000 ] - [ -0.0001663300000000, -0.0005147300000000, -0.0000515600000000 ] - [ -0.0004813400000000, 0.0000375700000000, -0.0001936100000000 ] - [ -0.0049910700000000, 0.0011982900000000, -0.0010768800000000 ] - [ 0.0004827800000000, -0.0000266500000000, 0.0002442400000000 ] - [ 0.0001218400000000, 0.0010310300000000, -0.0011401400000000 ] - [ -0.0015354300000000, 0.0011379100000000, -0.0003437200000000 ] - [ -0.0004811300000000, -0.0000376900000000, -0.0001916300000000 ] - [ 0.0002215800000000, -0.0000049100000000, 0.0000796900000000 ] - [ 0.0005708500000000, 0.0000015400000000, 0.0001624400000000 ] - [ 0.0003486000000000, 0.0001415000000000, -0.0000904400000000 ] - [ -0.0004094500000000, 0.0001012600000000, -0.0003358300000000 ] - [ 0.0002836200000000, -0.0000099900000000, 0.0000836600000000 ] - [ -0.0001661700000000, 0.0005156100000000, -0.0000517400000000 ] - [ -0.0000476900000000, 0.0001256700000000, 0.0002002100000000 ] - [ -0.0008594900000000, -0.0006564600000000, -0.0000481400000000 ] - [ 0.0002614500000000, 0.0001501300000000, -0.0000407500000000 ] - [ -0.0000051400000000, -0.0000083100000000, -0.0007119000000000 ] - [ 0.0004888900000000, 0.0000338100000000, 0.0002516300000000 ] - [ -0.0000463900000000, -0.0000001200000000, -0.0000490000000000 ] - [ 0.0001546400000000, 0.0000003700000000, 0.0002360800000000 ] - [ 0.0008302200000000, -0.0006579400000000, 0.0003952300000000 ] - [ 0.0028227000000000, 0.0029857300000000, -0.0001609300000000 ] - [ 0.0001107600000000, -0.0008951200000000, 0.0014792800000000 ] - [ -0.0002184300000000, -0.0000229400000000, -0.0001207500000000 ] - [ -0.0001721100000000, 0.0000004300000000, 0.0001864000000000 ] - [ -0.0003001400000000, -0.0000008400000000, -0.0001260500000000 ]- atom: 46 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000192400000000, -0.0000018600000000, 0.0004150800000000 ] - [ 0.0004452000000000, 0.0034190400000000, 0.0033960100000000 ] - [ -0.0016473400000000, -0.0004267200000000, 0.0028560300000000 ] - [ -0.0005535200000000, 0.0000208600000000, -0.0003507000000000 ] - [ 0.0003805600000000, 0.0000146800000000, -0.0004027800000000 ] - [ 0.0007365900000000, -0.0003691000000000, 0.0000882300000000 ] - [ -0.0004122600000000, 0.0000099300000000, 0.0002105200000000 ] - [ -0.0002597100000000, 0.0000002200000000, 0.0000807000000000 ] - [ -0.0002641200000000, -0.0000115400000000, -0.0000626900000000 ] - [ -0.0005962100000000, 0.0001196000000000, -0.0001084300000000 ] - [ -0.0001431100000000, 0.0000005200000000, -0.0001031000000000 ] - [ -0.0002393800000000, 0.0000000600000000, -0.0001034300000000 ] - [ 0.0001923800000000, 0.0000025400000000, -0.0005845300000000 ] - [ 0.0022021400000000, 0.0097585900000000, -0.0014048000000000 ] - [ -0.0006696600000000, -0.0000029500000000, -0.0005569500000000 ] - [ 0.0012983100000000, 0.0000559800000000, 0.0004325500000000 ] - [ 0.0000318200000000, -0.0000230800000000, -0.0010958000000000 ] - [ -0.0006521800000000, 0.0000021600000000, 0.0004292400000000 ] - [ -0.0027209200000000, -0.0127390000000000, -0.0007277000000000 ] - [ -0.0003466200000000, 0.0000022400000000, 0.0005964500000000 ] - [ -0.0001034100000000, 0.0000025700000000, -0.0000422500000000 ] - [ -0.0012718800000000, -0.0000049200000000, -0.0003705300000000 ] - [ 0.0000911500000000, 0.0000047700000000, -0.0002732300000000 ] - [ -0.0007761900000000, 0.0000005800000000, -0.0005626000000000 ] - [ 0.0015577300000000, -0.0000241800000000, 0.0003912600000000 ] - [ 0.1230811800000000, -0.3063648700000000, 0.0406860000000000 ] - [ 0.0000997300000000, -0.0000580000000000, -0.0005302900000000 ] - [ 0.0005738300000000, 0.0000260200000000, 0.0002184600000000 ] - [ 0.0003098300000000, 0.0000281000000000, 0.0000390400000000 ] - [ -0.0002398800000000, -0.0006266100000000, 0.0003719100000000 ] - [ -0.0006027100000000, 0.0006977100000000, 0.0000294600000000 ] - [ -0.0023481000000000, 0.0054137700000000, -0.0002687900000000 ] - [ -0.0006428500000000, 0.0000059000000000, -0.0002969200000000 ] - [ -0.0008893900000000, -0.0001218800000000, -0.0005961400000000 ] - [ 0.0006344300000000, 0.0000011300000000, 0.0001672800000000 ] - [ -0.0003375900000000, -0.0000004800000000, -0.0000854200000000 ] - [ 0.0002106900000000, -0.0000023100000000, 0.0002955300000000 ] - [ -0.0009625200000000, -0.0010460100000000, -0.0004241300000000 ] - [ -0.0012388100000000, 0.0000052800000000, -0.0004146300000000 ] - [ 0.0004823700000000, 0.0000324000000000, 0.0004713200000000 ] - [ -0.0007737600000000, -0.0010078300000000, 0.0008355900000000 ] - [ -0.0004460900000000, 0.0000621800000000, -0.0001023400000000 ] - [ -0.0000102700000000, 0.0000659000000000, -0.0001655500000000 ] - [ 0.0010570800000000, -0.0033229800000000, -0.0019055100000000 ] - [ -0.0010887500000000, -0.0000046300000000, 0.0001511200000000 ] - [ -0.1703411400000000, 0.4343466000000000, -0.0577683000000000 ] - [ 0.0431828200000000, -0.0093482600000000, 0.0136282600000000 ] - [ 0.0002107400000000, 0.0005392400000000, 0.0000772800000000 ] - [ 0.0046674100000000, -0.1112777700000000, 0.0009156900000000 ] - [ 0.0002065700000000, -0.0005343200000000, 0.0000766400000000 ] - [ 0.0004652500000000, -0.0000514900000000, 0.0002166100000000 ] - [ -0.0000072600000000, -0.0000647200000000, -0.0001621900000000 ] - [ -0.0003624700000000, -0.0005322700000000, 0.0000704000000000 ] - [ -0.0001762800000000, -0.0008704800000000, 0.0003349000000000 ] - [ 0.0001805700000000, -0.0000043700000000, -0.0000391500000000 ] - [ 0.0001684200000000, 0.0003117900000000, -0.0001886800000000 ] - [ 0.0003727000000000, 0.0000212200000000, 0.0000095300000000 ] - [ -0.0002954100000000, 0.0001147700000000, -0.0003135900000000 ] - [ -0.0006172000000000, 0.0001572900000000, 0.0007721800000000 ] - [ 0.0000464700000000, 0.0000006800000000, 0.0000241900000000 ] - [ 0.0005916300000000, 0.0000009700000000, 0.0002890800000000 ] - [ 0.0003723900000000, -0.0000203600000000, 0.0000095200000000 ] - [ 0.0001726000000000, 0.0000003600000000, -0.0002234400000000 ] - [ 0.0006713800000000, 0.0000013300000000, 0.0003872600000000 ] - [ -0.0003520000000000, 0.0005545600000000, 0.0000706400000000 ] - [ 0.0005305200000000, 0.0006078400000000, 0.0002860300000000 ] - [ -0.0003144700000000, -0.0001184900000000, -0.0003084300000000 ] - [ 0.0004643800000000, 0.0000489500000000, 0.0002137500000000 ] - [ -0.0001414600000000, 0.0001498600000000, -0.0002237800000000 ] - [ 0.0001828900000000, -0.0003131300000000, -0.0001693300000000 ] - [ -0.0001048300000000, 0.0001207700000000, 0.0001489100000000 ] - [ -0.0002894300000000, 0.0000041700000000, -0.0001124200000000 ] - [ 0.0003138000000000, -0.0000502300000000, -0.0001139300000000 ] - [ 0.0004769700000000, 0.0000008000000000, 0.0000954600000000 ] - [ 0.0003071800000000, -0.0000021900000000, 0.0001490500000000 ] - [ -0.0000647300000000, -0.0000432500000000, 0.0000266400000000 ] - [ 0.0001586400000000, -0.0000006600000000, 0.0003038400000000 ] - [ 0.0016358700000000, -0.0007102000000000, -0.0022151800000000 ] - [ -0.0000653900000000, 0.0000420000000000, 0.0000268500000000 ] - [ -0.0001314200000000, -0.0024244300000000, 0.0019066300000000 ] - [ 0.0005018900000000, 0.0000444200000000, 0.0001503500000000 ] - [ 0.0003083900000000, 0.0000459900000000, -0.0001125500000000 ] - [ 0.0001237500000000, -0.0004127700000000, 0.0000519100000000 ] - [ -0.0001975100000000, 0.0001657100000000, -0.0000269800000000 ] - [ 0.0047308700000000, -0.0011888700000000, 0.0008513600000000 ] - [ 0.0008320300000000, -0.0000856700000000, 0.0002904600000000 ] - [ 0.0003669300000000, -0.0009660800000000, 0.0011258100000000 ] - [ 0.0002382200000000, -0.0010127300000000, -0.0001732400000000 ] - [ -0.0001971300000000, -0.0001656000000000, -0.0000287600000000 ] - [ -0.0005832900000000, 0.0000065800000000, -0.0001552600000000 ] - [ 0.0013219600000000, -0.0000001900000000, 0.0001326700000000 ] - [ 0.0001397900000000, -0.0002015300000000, 0.0000784500000000 ] - [ 0.0004927100000000, -0.0001001000000000, -0.0001899600000000 ] - [ 0.0008083300000000, 0.0000109000000000, 0.0003062800000000 ] - [ 0.0001232900000000, 0.0004140500000000, 0.0000521200000000 ] - [ -0.0000899900000000, -0.0001275500000000, 0.0001475200000000 ] - [ -0.0004448100000000, 0.0005423900000000, -0.0004797100000000 ] - [ 0.0004157400000000, 0.0000560200000000, 0.0002563700000000 ] - [ -0.0018451200000000, 0.0000065200000000, 0.0004043600000000 ] - [ 0.0008235900000000, 0.0000748300000000, 0.0002813600000000 ] - [ 0.0001608600000000, 0.0000004100000000, -0.0002514400000000 ] - [ 0.0002498500000000, 0.0000001000000000, 0.0001021500000000 ] - [ -0.0009648200000000, 0.0006725700000000, -0.0000688000000000 ] - [ -0.0031649000000000, -0.0029865100000000, -0.0002192900000000 ] - [ 0.0000266800000000, 0.0009315700000000, -0.0017153200000000 ] - [ 0.0006101600000000, 0.0000236200000000, 0.0004637800000000 ] - [ 0.0000650400000000, 0.0000002100000000, 0.0001159900000000 ] - [ -0.0000968100000000, 0.0000013300000000, -0.0002130900000000 ]- atom: 46 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0003610600000000, -0.0000010300000000, 0.0002658000000000 ] - [ 0.0003012900000000, -0.0009658800000000, 0.0044175500000000 ] - [ 0.0008525300000000, -0.0004994600000000, 0.0028077900000000 ] - [ -0.0008981000000000, -0.0000341200000000, -0.0003340700000000 ] - [ 0.0000688900000000, -0.0000109700000000, -0.0012315900000000 ] - [ 0.0005639800000000, 0.0003427900000000, -0.0029601500000000 ] - [ -0.0016497100000000, 0.0000113000000000, -0.0003735400000000 ] - [ -0.0002532100000000, -0.0000001700000000, 0.0001231600000000 ] - [ -0.0004473300000000, 0.0000054800000000, 0.0001951800000000 ] - [ 0.0009678000000000, -0.0000866300000000, -0.0002291000000000 ] - [ -0.0000273400000000, -0.0000005900000000, -0.0004257500000000 ] - [ -0.0002745800000000, -0.0000002100000000, -0.0001560200000000 ] - [ 0.0001922000000000, 0.0000043500000000, -0.0008758200000000 ] - [ -0.0004504800000000, -0.0001366700000000, 0.0064423100000000 ] - [ -0.0007383400000000, -0.0000033200000000, -0.0001447900000000 ] - [ 0.0023082000000000, 0.0000632400000000, -0.0025953700000000 ] - [ 0.0000268800000000, -0.0000437300000000, -0.0033578600000000 ] - [ -0.0005736500000000, -0.0000035900000000, 0.0006130700000000 ] - [ -0.0024349900000000, -0.0004119100000000, 0.0097629800000000 ] - [ -0.0005136800000000, 0.0000012700000000, 0.0004479500000000 ] - [ -0.0001238600000000, -0.0000073500000000, -0.0000513100000000 ] - [ -0.0013134800000000, 0.0000028000000000, -0.0003784100000000 ] - [ 0.0003111200000000, -0.0000020200000000, -0.0003218800000000 ] - [ -0.0010767500000000, -0.0000084500000000, -0.0007135400000000 ] - [ 0.0006511000000000, -0.0000039800000000, -0.0000495700000000 ] - [ 0.0144213400000000, -0.0277527800000000, 0.0836670600000000 ] - [ -0.0009833400000000, 0.0001846600000000, -0.0002529100000000 ] - [ 0.0008517500000000, 0.0000131600000000, 0.0003259900000000 ] - [ 0.0008642600000000, -0.0000006300000000, 0.0002579600000000 ] - [ -0.0011789900000000, 0.0007665500000000, 0.0002899400000000 ] - [ -0.0014779800000000, 0.0006320400000000, -0.0005551900000000 ] - [ 0.0021104800000000, -0.0039503300000000, 0.0015138100000000 ] - [ -0.0008855300000000, 0.0000066400000000, -0.0003172800000000 ] - [ -0.0005553400000000, 0.0000880800000000, -0.0005646500000000 ] - [ 0.0005613400000000, -0.0000048500000000, 0.0001367700000000 ] - [ -0.0003031300000000, 0.0000032100000000, -0.0000667500000000 ] - [ 0.0004683000000000, -0.0000021700000000, 0.0004427400000000 ] - [ -0.0003840200000000, -0.0000236500000000, -0.0002918600000000 ] - [ -0.0014444400000000, -0.0000042100000000, -0.0004799900000000 ] - [ 0.0003796300000000, -0.0000446400000000, 0.0002345200000000 ] - [ 0.0018453600000000, -0.0001149300000000, -0.0002300600000000 ] - [ 0.0005444200000000, -0.0000551400000000, 0.0004564200000000 ] - [ -0.0000552400000000, 0.0001173600000000, -0.0000388000000000 ] - [ -0.0027163700000000, 0.0033637500000000, 0.0032920600000000 ] - [ -0.0016454700000000, 0.0000062000000000, 0.0005412000000000 ] - [ -0.0357374200000000, 0.0405969800000000, -0.0647215200000000 ] - [ 0.0238444900000000, -0.0153389500000000, -0.0183252100000000 ] - [ 0.0002716900000000, 0.0005202800000000, 0.0000201200000000 ] - [ 0.0003893500000000, 0.0007226900000000, -0.0279518900000000 ] - [ 0.0002758800000000, -0.0005248000000000, 0.0000202600000000 ] - [ 0.0005860200000000, 0.0000317100000000, 0.0003362500000000 ] - [ -0.0000550300000000, -0.0001148400000000, -0.0000395900000000 ] - [ -0.0000453300000000, -0.0002603300000000, 0.0008397800000000 ] - [ -0.0000467700000000, 0.0007134800000000, 0.0010179700000000 ] - [ -0.0000231500000000, -0.0000042100000000, -0.0001588100000000 ] - [ -0.0001841700000000, 0.0003692500000000, -0.0001151700000000 ] - [ 0.0003987100000000, 0.0000302100000000, 0.0000303600000000 ] - [ -0.0005720900000000, 0.0000751500000000, -0.0004316000000000 ] - [ 0.0002717100000000, -0.0006863200000000, 0.0009071200000000 ] - [ 0.0001073000000000, 0.0000000500000000, 0.0000667200000000 ] - [ 0.0002199200000000, 0.0000006700000000, 0.0007026700000000 ] - [ 0.0003994400000000, -0.0000288000000000, 0.0000305700000000 ] - [ 0.0001598100000000, -0.0000003000000000, -0.0001435300000000 ] - [ 0.0009221900000000, -0.0000011900000000, 0.0004962200000000 ] - [ -0.0000414800000000, 0.0002606600000000, 0.0008310800000000 ] - [ 0.0006436200000000, -0.0002121100000000, -0.0001077000000000 ] - [ -0.0005970500000000, -0.0000709900000000, -0.0004415500000000 ] - [ 0.0005867900000000, -0.0000282600000000, 0.0003401100000000 ] - [ 0.0004585400000000, -0.0001936600000000, -0.0002195000000000 ] - [ -0.0001636700000000, -0.0003306900000000, -0.0000879800000000 ] - [ -0.0001459000000000, 0.0000489700000000, 0.0000699400000000 ] - [ -0.0006498300000000, -0.0000045200000000, 0.0000058700000000 ] - [ 0.0004253700000000, -0.0001082700000000, 0.0001455600000000 ] - [ 0.0005048200000000, -0.0000011000000000, 0.0001095700000000 ] - [ 0.0004570200000000, 0.0000007600000000, 0.0002217600000000 ] - [ -0.0000850100000000, -0.0000380500000000, -0.0000138100000000 ] - [ 0.0001434900000000, -0.0000000500000000, 0.0002441100000000 ] - [ -0.0043025800000000, 0.0022163700000000, 0.0024858900000000 ] - [ -0.0000857100000000, 0.0000383600000000, -0.0000139600000000 ] - [ -0.0014089600000000, 0.0018161800000000, -0.0017669700000000 ] - [ 0.0001027800000000, 0.0000345000000000, 0.0008842400000000 ] - [ 0.0004227800000000, 0.0001059900000000, 0.0001433100000000 ] - [ 0.0001442400000000, -0.0003799100000000, 0.0001247200000000 ] - [ -0.0002752000000000, 0.0000927700000000, -0.0000744900000000 ] - [ 0.0023012100000000, -0.0004311300000000, -0.0013782100000000 ] - [ 0.0010176800000000, -0.0000581800000000, 0.0002809300000000 ] - [ 0.0005968700000000, -0.0010825700000000, 0.0019712700000000 ] - [ -0.0002379700000000, -0.0005734100000000, -0.0005209800000000 ] - [ -0.0002754300000000, -0.0000927600000000, -0.0000720500000000 ] - [ -0.0003752700000000, 0.0000084300000000, 0.0009464100000000 ] - [ 0.0014969500000000, -0.0000001200000000, 0.0001840400000000 ] - [ 0.0004017300000000, 0.0000659300000000, 0.0010294900000000 ] - [ 0.0010563700000000, -0.0000920200000000, 0.0003243100000000 ] - [ 0.0005257100000000, -0.0000052300000000, 0.0003216400000000 ] - [ 0.0001426100000000, 0.0003821500000000, 0.0001253400000000 ] - [ -0.0001726000000000, -0.0000440800000000, 0.0000610900000000 ] - [ -0.0001639700000000, 0.0001417500000000, -0.0004833400000000 ] - [ 0.0001590400000000, -0.0001045100000000, 0.0008152800000000 ] - [ -0.0009356200000000, -0.0000022300000000, -0.0004820200000000 ] - [ 0.0010207500000000, 0.0000599300000000, 0.0002793900000000 ] - [ 0.0001256100000000, -0.0000000500000000, -0.0003226300000000 ] - [ 0.0001977400000000, -0.0000000600000000, 0.0001855400000000 ] - [ -0.0032083100000000, 0.0011661000000000, 0.0027074500000000 ] - [ -0.0030616600000000, -0.0023246500000000, -0.0028784900000000 ] - [ 0.0048150200000000, 0.0021569700000000, 0.0012925600000000 ] - [ 0.0010027900000000, 0.0000421900000000, 0.0011354300000000 ] - [ 0.0000894700000000, 0.0000002500000000, 0.0000963000000000 ] - [ -0.0000819200000000, 0.0000001100000000, -0.0003176400000000 ]- atom: 46 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0004083800000000, 0.0000010100000000, 0.0000546300000000 ] - [ -0.0003160900000000, 0.0011553900000000, -0.0047836600000000 ] - [ -0.0007909200000000, 0.0005039100000000, -0.0031806000000000 ] - [ 0.0006230400000000, 0.0000347800000000, 0.0003496000000000 ] - [ 0.0002131300000000, 0.0000109400000000, 0.0012375400000000 ] - [ -0.0005765600000000, -0.0003380400000000, 0.0029547500000000 ] - [ 0.0016186300000000, -0.0000119800000000, 0.0006883000000000 ] - [ 0.0002564200000000, 0.0000001000000000, -0.0001254900000000 ] - [ 0.0004936000000000, -0.0000061200000000, -0.0005190300000000 ] - [ -0.0012496100000000, 0.0000857300000000, 0.0002480300000000 ] - [ 0.0003259000000000, -0.0000001700000000, 0.0004180100000000 ] - [ 0.0002813800000000, -0.0000001200000000, 0.0001576700000000 ] - [ 0.0005042800000000, 0.0000020100000000, -0.0000851800000000 ] - [ -0.0001545900000000, 0.0001210000000000, -0.0053648000000000 ] - [ 0.0006509200000000, 0.0000008800000000, -0.0010857900000000 ] - [ -0.0022368400000000, -0.0000625800000000, 0.0038249200000000 ] - [ 0.0006783700000000, 0.0000497800000000, 0.0024016900000000 ] - [ -0.0001161600000000, 0.0000008200000000, 0.0003564100000000 ] - [ 0.0023587200000000, 0.0004859000000000, -0.0109928000000000 ] - [ 0.0006227800000000, -0.0000001200000000, 0.0007734900000000 ] - [ 0.0002670300000000, 0.0000017300000000, 0.0000613300000000 ] - [ -0.0005166600000000, -0.0000027500000000, -0.0001315900000000 ] - [ -0.0006910500000000, 0.0000013300000000, -0.0002181700000000 ] - [ 0.0000361100000000, 0.0000009600000000, -0.0001768000000000 ] - [ 0.0011857900000000, 0.0000093800000000, 0.0005624900000000 ] - [ -0.0154104700000000, 0.0294831100000000, -0.0844504800000000 ] - [ 0.0020390500000000, -0.0001846600000000, 0.0011535600000000 ] - [ 0.0010688100000000, -0.0000077400000000, 0.0003283700000000 ] - [ -0.0027972000000000, -0.0000017800000000, -0.0009201700000000 ] - [ 0.0015733800000000, -0.0007706300000000, 0.0002510800000000 ] - [ 0.0016322100000000, -0.0006485700000000, 0.0005647200000000 ] - [ -0.0039645800000000, 0.0039192400000000, -0.0019891600000000 ] - [ 0.0005116200000000, 0.0000024300000000, -0.0002239600000000 ] - [ -0.0005069300000000, -0.0000885800000000, -0.0003364600000000 ] - [ 0.0012762000000000, 0.0000013500000000, 0.0003752400000000 ] - [ 0.0001666200000000, 0.0000016300000000, 0.0000594300000000 ] - [ 0.0005775300000000, 0.0000035200000000, 0.0004502200000000 ] - [ 0.0023011600000000, 0.0000217400000000, 0.0009455500000000 ] - [ -0.0004709500000000, 0.0000040600000000, -0.0001751800000000 ] - [ -0.0000137200000000, 0.0000464800000000, 0.0003054100000000 ] - [ -0.0019956700000000, 0.0001260400000000, 0.0005776800000000 ] - [ -0.0016530400000000, 0.0000528100000000, -0.0008584400000000 ] - [ 0.0002040100000000, -0.0001241400000000, -0.0003091300000000 ] - [ 0.0030658400000000, -0.0032889000000000, -0.0031588600000000 ] - [ 0.0018663000000000, -0.0000062700000000, -0.0003306800000000 ] - [ 0.0362578700000000, -0.0433468500000000, 0.0661277900000000 ] - [ -0.0240268700000000, 0.0155163300000000, 0.0185432400000000 ] - [ -0.0002285200000000, 0.0004081800000000, -0.0000196200000000 ] - [ -0.0009636900000000, -0.0002132700000000, 0.0279562300000000 ] - [ -0.0002321300000000, -0.0004052400000000, -0.0000196700000000 ] - [ 0.0000960600000000, -0.0002338700000000, -0.0001199500000000 ] - [ 0.0002030300000000, 0.0001202300000000, -0.0003076600000000 ] - [ 0.0000030500000000, -0.0006728400000000, -0.0008482300000000 ] - [ -0.0006402700000000, -0.0005179300000000, -0.0012618700000000 ] - [ -0.0001835000000000, 0.0000031200000000, -0.0000576700000000 ] - [ 0.0015076300000000, -0.0004827600000000, 0.0006543000000000 ] - [ 0.0000912600000000, 0.0000320400000000, -0.0000356600000000 ] - [ -0.0007392800000000, 0.0000308500000000, -0.0000990600000000 ] - [ -0.0009535900000000, 0.0004875800000000, -0.0011472700000000 ] - [ -0.0004613400000000, 0.0000003000000000, -0.0001410100000000 ] - [ 0.0016825100000000, -0.0000002000000000, -0.0004166800000000 ] - [ 0.0000910200000000, -0.0000322600000000, -0.0000358500000000 ] - [ -0.0000591900000000, 0.0000002900000000, -0.0003786800000000 ] - [ 0.0001679100000000, 0.0000008700000000, -0.0001043400000000 ] - [ 0.0000007200000000, 0.0006698400000000, -0.0008391300000000 ] - [ -0.0008032100000000, 0.0002056000000000, 0.0004554500000000 ] - [ -0.0007160600000000, -0.0000388000000000, -0.0000887200000000 ] - [ 0.0000946000000000, 0.0002307400000000, -0.0001236500000000 ] - [ -0.0023696400000000, 0.0001918600000000, -0.0000730200000000 ] - [ 0.0014885800000000, 0.0004469400000000, 0.0006265400000000 ] - [ -0.0000019600000000, -0.0000429700000000, 0.0002788000000000 ] - [ -0.0004513000000000, 0.0000040900000000, -0.0004037700000000 ] - [ -0.0002837200000000, 0.0001051600000000, -0.0004971500000000 ] - [ -0.0001582300000000, 0.0000003000000000, -0.0000365400000000 ] - [ -0.0002620000000000, -0.0000003300000000, -0.0000094800000000 ] - [ -0.0004099800000000, -0.0000239300000000, 0.0000188200000000 ] - [ -0.0002498200000000, 0.0000001500000000, 0.0002780100000000 ] - [ 0.0042827800000000, -0.0012456200000000, -0.0024241700000000 ] - [ -0.0004093400000000, 0.0000233200000000, 0.0000190900000000 ] - [ 0.0014572900000000, -0.0027291500000000, 0.0017506100000000 ] - [ 0.0005781800000000, -0.0002395700000000, -0.0006701100000000 ] - [ -0.0002834700000000, -0.0001049300000000, -0.0004930900000000 ] - [ -0.0001906200000000, -0.0005501500000000, -0.0001283800000000 ] - [ -0.0004097600000000, 0.0001090200000000, -0.0001454000000000 ] - [ -0.0025009400000000, 0.0004371900000000, 0.0011795200000000 ] - [ 0.0002898700000000, -0.0000495700000000, 0.0002502400000000 ] - [ -0.0001062200000000, 0.0011563500000000, -0.0020029500000000 ] - [ -0.0010760000000000, 0.0006901200000000, -0.0000062200000000 ] - [ -0.0004096600000000, -0.0001082400000000, -0.0001479600000000 ] - [ 0.0000325800000000, -0.0000076800000000, -0.0010235600000000 ] - [ 0.0003900600000000, 0.0000006400000000, 0.0001095500000000 ] - [ 0.0000920500000000, -0.0001228000000000, -0.0010454600000000 ] - [ -0.0009673600000000, 0.0000932000000000, -0.0008538100000000 ] - [ 0.0005651000000000, 0.0000053200000000, 0.0000729400000000 ] - [ -0.0001905000000000, 0.0005504500000000, -0.0001287900000000 ] - [ 0.0000251500000000, 0.0000393900000000, 0.0002863100000000 ] - [ -0.0011514700000000, -0.0002558900000000, -0.0000451400000000 ] - [ 0.0005218500000000, 0.0003096200000000, -0.0006022400000000 ] - [ -0.0009455700000000, 0.0000012200000000, 0.0001854400000000 ] - [ 0.0002868600000000, 0.0000480100000000, 0.0002509000000000 ] - [ -0.0000112800000000, -0.0000002200000000, 0.0000205900000000 ] - [ 0.0002102200000000, -0.0000001500000000, 0.0001581500000000 ] - [ 0.0031441300000000, -0.0011884100000000, -0.0024485600000000 ] - [ 0.0026723600000000, 0.0023504500000000, 0.0025694400000000 ] - [ -0.0047758900000000, -0.0021965400000000, -0.0016265200000000 ] - [ -0.0006042500000000, -0.0000431900000000, -0.0008026600000000 ] - [ -0.0002069900000000, -0.0000000700000000, 0.0002076300000000 ] - [ -0.0003285200000000, -0.0000002200000000, -0.0000235400000000 ]- atom: 47 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ -0.0011764600000000, 0.0000000000000000, 0.0018086000000000 ] - [ 0.0066083700000000, 0.0000000000000000, -0.0102790200000000 ] - [ 0.0080023800000000, 0.0000000000000000, -0.0023220200000000 ] - [ -0.0027405600000000, 0.0000000000000000, -0.0025664700000000 ] - [ 0.0013378600000000, 0.0000000000000000, -0.0014693800000000 ] - [ 0.0041602400000000, 0.0000000000000000, 0.0023753200000000 ] - [ -0.0019306600000000, 0.0000000000000000, -0.0027510400000000 ] - [ -0.0024548400000000, 0.0000000000000000, 0.0002142100000000 ] - [ -0.0032513600000000, 0.0000000000000000, -0.0004933000000000 ] - [ -0.0021934900000000, 0.0000000000000000, 0.0015455400000000 ] - [ -0.0014944800000000, 0.0000000000000000, -0.0000978200000000 ] - [ -0.0020817500000000, 0.0000000000000000, -0.0005360700000000 ] - [ -0.0015380200000000, 0.0000000000000000, -0.0009361400000000 ] - [ 0.0282833200000000, 0.0000000000000000, 0.0006061200000000 ] - [ -0.0052938400000000, 0.0000000000000000, -0.0005296100000000 ] - [ 0.0056921400000000, 0.0000000000000000, 0.0019752700000000 ] - [ 0.0013788300000000, 0.0000000000000000, -0.0018772700000000 ] - [ -0.0044867700000000, 0.0000000000000000, 0.0006495700000000 ] - [ -0.0160831300000000, 0.0000000000000000, 0.0022039800000000 ] - [ -0.0029701200000000, 0.0000000000000000, -0.0000715300000000 ] - [ -0.0017194200000000, 0.0000000000000000, -0.0005146300000000 ] - [ -0.0040334600000000, 0.0000000000000000, -0.0012513200000000 ] - [ 0.0004259500000000, 0.0000000000000000, -0.0002361600000000 ] - [ -0.0024480600000000, 0.0000000000000000, -0.0012975200000000 ] - [ 0.0047575800000000, 0.0000000000000000, 0.0013277200000000 ] - [ 0.3167215700000000, 0.0000000000000000, 0.0871172200000000 ] - [ -0.0000434900000000, 0.0000000000000000, -0.0012460900000000 ] - [ -0.0024282900000000, 0.0000000000000000, -0.0006959100000000 ] - [ 0.0042248900000000, 0.0000000000000000, 0.0013469300000000 ] - [ -0.0039976100000000, 0.0000000000000000, 0.0008068800000000 ] - [ 0.0010787000000000, 0.0000000000000000, 0.0000885100000000 ] - [ 0.0035564500000000, 0.0000000000000000, 0.0035464800000000 ] - [ -0.0021328900000000, 0.0000000000000000, -0.0003623900000000 ] - [ -0.0006715900000000, 0.0000000000000000, -0.0003809300000000 ] - [ -0.0013453900000000, 0.0000000000000000, -0.0004466700000000 ] - [ -0.0028485900000000, 0.0000000000000000, -0.0009005200000000 ] - [ -0.0014525300000000, 0.0000000000000000, -0.0003566700000000 ] - [ -0.0039500600000000, 0.0000000000000000, -0.0015217600000000 ] - [ -0.0032102400000000, 0.0000000000000000, -0.0010682100000000 ] - [ -0.0042990800000000, 0.0000000000000000, 0.0000744900000000 ] - [ 0.0042163100000000, -0.0053001300000000, 0.0026131500000000 ] - [ -0.0007450600000000, 0.0000000000000000, 0.0001350300000000 ] - [ 0.0000437300000000, 0.0002582100000000, -0.0002400900000000 ] - [ -0.0056174500000000, 0.0000000000000000, -0.0020843400000000 ] - [ -0.0043413200000000, 0.0000000000000000, -0.0004446800000000 ] - [ 0.0544697600000000, -0.0426938400000000, 0.0282283900000000 ] - [ -0.4563344100000000, 0.0000000000000000, -0.1375676000000000 ] - [ 0.0016005100000000, 0.0011173600000000, 0.0006413300000000 ] - [ 0.0544697600000000, 0.0426938400000000, 0.0282283900000000 ] - [ 0.0016005100000000, -0.0011173600000000, 0.0006413300000000 ] - [ 0.0013438400000000, 0.0002449800000000, 0.0007677700000000 ] - [ 0.0000437300000000, -0.0002582100000000, -0.0002400900000000 ] - [ -0.0019112400000000, -0.0010815100000000, -0.0003410500000000 ] - [ -0.0019351500000000, -0.0002549900000000, 0.0028424100000000 ] - [ 0.0023576400000000, 0.0000000000000000, 0.0004915900000000 ] - [ -0.0012045400000000, 0.0015685700000000, -0.0022853400000000 ] - [ 0.0014174300000000, -0.0000915300000000, 0.0002024700000000 ] - [ 0.0019713400000000, 0.0002519900000000, -0.0003422100000000 ] - [ -0.0019351500000000, 0.0002549900000000, 0.0028424100000000 ] - [ 0.0017000700000000, 0.0000000000000000, 0.0003131300000000 ] - [ -0.0000765100000000, 0.0000000000000000, 0.0003976200000000 ] - [ 0.0014174300000000, 0.0000915300000000, 0.0002024700000000 ] - [ 0.0014170300000000, 0.0000000000000000, 0.0000222100000000 ] - [ 0.0015706900000000, 0.0000000000000000, 0.0015073600000000 ] - [ -0.0019112400000000, 0.0010815100000000, -0.0003410500000000 ] - [ 0.0042163100000000, 0.0053001300000000, 0.0026131500000000 ] - [ 0.0019713400000000, -0.0002519900000000, -0.0003422100000000 ] - [ 0.0013438400000000, -0.0002449800000000, 0.0007677700000000 ] - [ 0.0053062000000000, 0.0000000000000000, -0.0005190500000000 ] - [ -0.0012045400000000, -0.0015685700000000, -0.0022853400000000 ] - [ 0.0020812600000000, -0.0005945000000000, 0.0001861200000000 ] - [ 0.0011571200000000, 0.0000000000000000, 0.0000488500000000 ] - [ 0.0008510500000000, -0.0003793000000000, 0.0002551100000000 ] - [ 0.0029235600000000, 0.0000000000000000, 0.0003666700000000 ] - [ 0.0019172500000000, 0.0000000000000000, 0.0005582600000000 ] - [ 0.0015770800000000, -0.0002331800000000, 0.0003526200000000 ] - [ 0.0022057600000000, 0.0000000000000000, 0.0006433800000000 ] - [ -0.0005337200000000, -0.0014067500000000, -0.0033861800000000 ] - [ 0.0015770800000000, 0.0002331800000000, 0.0003526200000000 ] - [ -0.0005337200000000, 0.0014067500000000, -0.0033861800000000 ] - [ 0.0002017200000000, -0.0000163400000000, -0.0001867400000000 ] - [ 0.0008510500000000, 0.0003793000000000, 0.0002551100000000 ] - [ 0.0010878900000000, -0.0000449100000000, 0.0003866000000000 ] - [ 0.0007457200000000, 0.0004422400000000, 0.0001346900000000 ] - [ 0.0047437300000000, 0.0000000000000000, 0.0014487700000000 ] - [ 0.0019935800000000, -0.0003446800000000, 0.0008093400000000 ] - [ -0.0011669700000000, -0.0004206900000000, 0.0008886900000000 ] - [ 0.0023311100000000, -0.0007675200000000, 0.0010770200000000 ] - [ 0.0007457200000000, -0.0004422400000000, 0.0001346900000000 ] - [ -0.0029228700000000, 0.0000000000000000, -0.0007790900000000 ] - [ 0.0026509500000000, 0.0000000000000000, 0.0000699100000000 ] - [ -0.0011669700000000, 0.0004206900000000, 0.0008886900000000 ] - [ -0.0007441900000000, 0.0000000000000000, -0.0001703400000000 ] - [ 0.0009728100000000, 0.0000000000000000, -0.0003219300000000 ] - [ 0.0010878900000000, 0.0000449100000000, 0.0003866000000000 ] - [ 0.0020812600000000, 0.0005945000000000, 0.0001861200000000 ] - [ 0.0023311100000000, 0.0007675200000000, 0.0010770200000000 ] - [ 0.0002017200000000, 0.0000163400000000, -0.0001867400000000 ] - [ 0.0037447000000000, 0.0000000000000000, -0.0016064100000000 ] - [ 0.0019935800000000, 0.0003446800000000, 0.0008093400000000 ] - [ 0.0011401500000000, 0.0000000000000000, -0.0007036600000000 ] - [ 0.0008986700000000, 0.0000000000000000, -0.0002944800000000 ] - [ -0.0050323700000000, 0.0000000000000000, -0.0011245300000000 ] - [ -0.0052066800000000, 0.0000000000000000, -0.0028107800000000 ] - [ 0.0017256300000000, 0.0000000000000000, 0.0038373300000000 ] - [ 0.0003142500000000, 0.0000000000000000, 0.0018687400000000 ] - [ 0.0010395000000000, 0.0000000000000000, 0.0002710200000000 ] - [ 0.0009216000000000, 0.0000000000000000, -0.0002395500000000 ]- atom: 47 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ 0.0011336000000000, 0.0000000000000000, -0.0014828300000000 ] - [ -0.0066518100000000, 0.0000000000000000, 0.0103368200000000 ] - [ -0.0075258800000000, 0.0000000000000000, 0.0015288100000000 ] - [ 0.0024802900000000, 0.0000000000000000, 0.0025833700000000 ] - [ -0.0010489100000000, 0.0000000000000000, 0.0014822700000000 ] - [ -0.0042073800000000, 0.0000000000000000, -0.0023524600000000 ] - [ 0.0018980700000000, 0.0000000000000000, 0.0030858500000000 ] - [ 0.0024609900000000, 0.0000000000000000, -0.0002160300000000 ] - [ 0.0033065500000000, 0.0000000000000000, 0.0001697200000000 ] - [ 0.0019136000000000, 0.0000000000000000, -0.0015328800000000 ] - [ 0.0017832800000000, 0.0000000000000000, 0.0000826500000000 ] - [ 0.0020916900000000, 0.0000000000000000, 0.0005375500000000 ] - [ 0.0022523400000000, 0.0000000000000000, -0.0000292400000000 ] - [ -0.0290015100000000, 0.0000000000000000, 0.0003509200000000 ] - [ 0.0052176100000000, 0.0000000000000000, -0.0006954700000000 ] - [ -0.0056201300000000, 0.0000000000000000, -0.0007569500000000 ] - [ -0.0006897100000000, 0.0000000000000000, 0.0009216100000000 ] - [ 0.0037961500000000, 0.0000000000000000, 0.0003241900000000 ] - [ 0.0161037100000000, 0.0000000000000000, -0.0034542400000000 ] - [ 0.0030722700000000, 0.0000000000000000, 0.0012880900000000 ] - [ 0.0018775100000000, 0.0000000000000000, 0.0005277600000000 ] - [ 0.0022141700000000, 0.0000000000000000, 0.0007446200000000 ] - [ -0.0007978000000000, 0.0000000000000000, -0.0003053400000000 ] - [ 0.0014180200000000, 0.0000000000000000, 0.0004129400000000 ] - [ -0.0029377200000000, 0.0000000000000000, -0.0008186200000000 ] - [ -0.3421938900000000, 0.0000000000000000, -0.0980283100000000 ] - [ 0.0011426300000000, 0.0000000000000000, 0.0021567100000000 ] - [ 0.0043556600000000, 0.0000000000000000, 0.0013518500000000 ] - [ -0.0061431500000000, 0.0000000000000000, -0.0020112500000000 ] - [ 0.0044329700000000, 0.0000000000000000, -0.0002524000000000 ] - [ -0.0009309700000000, 0.0000000000000000, -0.0000791900000000 ] - [ -0.0054438200000000, 0.0000000000000000, -0.0040943600000000 ] - [ 0.0017629600000000, 0.0000000000000000, -0.0001817600000000 ] - [ -0.0003857400000000, 0.0000000000000000, -0.0005169500000000 ] - [ 0.0031868900000000, 0.0000000000000000, 0.0009609600000000 ] - [ 0.0027047500000000, 0.0000000000000000, 0.0008918100000000 ] - [ 0.0024926400000000, 0.0000000000000000, 0.0012464100000000 ] - [ 0.0058979700000000, 0.0000000000000000, 0.0021878700000000 ] - [ 0.0012937100000000, 0.0000000000000000, 0.0004144400000000 ] - [ 0.0046820700000000, 0.0000000000000000, 0.0004696900000000 ] - [ -0.0043037700000000, 0.0052380200000000, -0.0022298000000000 ] - [ -0.0004096100000000, 0.0000000000000000, -0.0005495000000000 ] - [ 0.0001004900000000, -0.0002602500000000, -0.0001154200000000 ] - [ 0.0060465900000000, 0.0000000000000000, 0.0021675800000000 ] - [ 0.0045437500000000, 0.0000000000000000, 0.0006556600000000 ] - [ -0.0560204200000000, 0.0436065600000000, -0.0289455200000000 ] - [ 0.4831095500000000, 0.0000000000000000, 0.1509015100000000 ] - [ -0.0015539700000000, -0.0001864900000000, -0.0006364200000000 ] - [ -0.0560204200000000, -0.0436065600000000, -0.0289455200000000 ] - [ -0.0015539700000000, 0.0001864900000000, -0.0006364200000000 ] - [ -0.0006681500000000, -0.0004557700000000, -0.0005515900000000 ] - [ 0.0001004900000000, 0.0002602500000000, -0.0001154200000000 ] - [ 0.0018676600000000, 0.0001517300000000, 0.0003293300000000 ] - [ 0.0012191400000000, 0.0004562600000000, -0.0031222200000000 ] - [ -0.0025574600000000, 0.0000000000000000, -0.0007073000000000 ] - [ 0.0025077100000000, -0.0016731300000000, 0.0028097200000000 ] - [ -0.0009300300000000, 0.0001504500000000, -0.0002093800000000 ] - [ -0.0032719500000000, -0.0001454900000000, -0.0001830300000000 ] - [ 0.0012191400000000, -0.0004562600000000, -0.0031222200000000 ] - [ -0.0020607700000000, 0.0000000000000000, -0.0003873400000000 ] - [ 0.0019685800000000, 0.0000000000000000, -0.0001179100000000 ] - [ -0.0009300300000000, -0.0001504500000000, -0.0002093800000000 ] - [ -0.0013149600000000, 0.0000000000000000, -0.0005503800000000 ] - [ -0.0004830900000000, 0.0000000000000000, -0.0011108300000000 ] - [ 0.0018676600000000, -0.0001517300000000, 0.0003293300000000 ] - [ -0.0043037700000000, -0.0052380200000000, -0.0022298000000000 ] - [ -0.0032719500000000, 0.0001454900000000, -0.0001830300000000 ] - [ -0.0006681500000000, 0.0004557700000000, -0.0005515900000000 ] - [ -0.0072080600000000, 0.0000000000000000, 0.0002264500000000 ] - [ 0.0025077100000000, 0.0016731300000000, 0.0028097200000000 ] - [ -0.0022387700000000, 0.0005991200000000, 0.0001664300000000 ] - [ -0.0022653100000000, 0.0000000000000000, -0.0004504700000000 ] - [ -0.0007045500000000, 0.0003795700000000, -0.0006112600000000 ] - [ -0.0025803200000000, 0.0000000000000000, -0.0002936200000000 ] - [ -0.0017288700000000, 0.0000000000000000, -0.0003462800000000 ] - [ -0.0020765400000000, 0.0001745500000000, -0.0003491000000000 ] - [ -0.0023244900000000, 0.0000000000000000, -0.0001203100000000 ] - [ 0.0006064800000000, 0.0023599900000000, 0.0034234700000000 ] - [ -0.0020765400000000, -0.0001745500000000, -0.0003491000000000 ] - [ 0.0006064800000000, -0.0023599900000000, 0.0034234700000000 ] - [ 0.0004872900000000, -0.0001930000000000, 0.0004051800000000 ] - [ -0.0007045500000000, -0.0003795700000000, -0.0006112600000000 ] - [ -0.0011453800000000, -0.0008885700000000, -0.0003923700000000 ] - [ -0.0014339100000000, -0.0002348200000000, -0.0003545800000000 ] - [ -0.0049743900000000, 0.0000000000000000, -0.0016660700000000 ] - [ -0.0006984100000000, 0.0002409700000000, -0.0002839400000000 ] - [ 0.0016680700000000, 0.0004809600000000, -0.0009057200000000 ] - [ -0.0036514800000000, 0.0008793000000000, -0.0016135200000000 ] - [ -0.0014339100000000, 0.0002348200000000, -0.0003545800000000 ] - [ 0.0025881400000000, 0.0000000000000000, 0.0007017500000000 ] - [ -0.0007721200000000, 0.0000000000000000, 0.0002207300000000 ] - [ 0.0016680700000000, -0.0004809600000000, -0.0009057200000000 ] - [ 0.0008513200000000, 0.0000000000000000, -0.0003607700000000 ] - [ 0.0001354700000000, 0.0000000000000000, 0.0007273800000000 ] - [ -0.0011453800000000, 0.0008885700000000, -0.0003923700000000 ] - [ -0.0022387700000000, -0.0005991200000000, 0.0001664300000000 ] - [ -0.0036514800000000, -0.0008793000000000, -0.0016135200000000 ] - [ 0.0004872900000000, 0.0001930000000000, 0.0004051800000000 ] - [ -0.0056473900000000, 0.0000000000000000, 0.0013252900000000 ] - [ -0.0006984100000000, -0.0002409700000000, -0.0002839400000000 ] - [ -0.0010210700000000, 0.0000000000000000, 0.0004004600000000 ] - [ -0.0004849200000000, 0.0000000000000000, 0.0006302000000000 ] - [ 0.0049269300000000, 0.0000000000000000, 0.0014538400000000 ] - [ 0.0047780400000000, 0.0000000000000000, 0.0025185800000000 ] - [ -0.0016180900000000, 0.0000000000000000, -0.0041620000000000 ] - [ 0.0000984700000000, 0.0000000000000000, -0.0015435700000000 ] - [ -0.0011659800000000, 0.0000000000000000, 0.0000288600000000 ] - [ -0.0013426800000000, 0.0000000000000000, -0.0001011600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000267100000000, 0.0000096400000000, 0.0001643800000000 ] - [ 0.0000155000000000, -0.0026393900000000, -0.0000435200000000 ] - [ 0.0000261900000000, 0.0009968000000000, -0.0001150400000000 ] - [ -0.0001633900000000, 0.0000827200000000, -0.0000015500000000 ] - [ 0.0001451000000000, -0.0000903000000000, -0.0000207300000000 ] - [ 0.0000239700000000, 0.0002334100000000, 0.0000056900000000 ] - [ -0.0000365900000000, -0.0000158900000000, 0.0001526700000000 ] - [ -0.0000063600000000, 0.0000000800000000, 0.0000002600000000 ] - [ 0.0000171600000000, 0.0000093900000000, -0.0001641900000000 ] - [ -0.0001523000000000, -0.0000354800000000, 0.0000094200000000 ] - [ 0.0001447400000000, -0.0000011300000000, -0.0000060000000000 ] - [ -0.0000089700000000, 0.0000006300000000, -0.0000013900000000 ] - [ 0.0003408600000000, 0.0000016100000000, -0.0004858800000000 ] - [ -0.0003280300000000, 0.0085510300000000, 0.0007054700000000 ] - [ -0.0000538400000000, 0.0000178700000000, -0.0006139500000000 ] - [ 0.0000602600000000, -0.0000154000000000, 0.0005995400000000 ] - [ 0.0003539200000000, 0.0000039800000000, -0.0004914300000000 ] - [ -0.0003628800000000, -0.0000004600000000, 0.0004786000000000 ] - [ -0.0001146100000000, 0.0047549000000000, -0.0005949000000000 ] - [ 0.0000345800000000, 0.0000024500000000, 0.0006178300000000 ] - [ 0.0000660600000000, -0.0000042000000000, 0.0000037200000000 ] - [ -0.0009288900000000, -0.0000011900000000, -0.0002586100000000 ] - [ -0.0001895200000000, -0.0000005100000000, -0.0002715300000000 ] - [ -0.0005325700000000, 0.0000007900000000, -0.0004509600000000 ] - [ 0.0009282000000000, -0.0000197400000000, 0.0002561600000000 ] - [ 0.0006810400000000, 0.0894689900000000, 0.0003268300000000 ] - [ 0.0004979500000000, 0.0006778800000000, 0.0004422700000000 ] - [ 0.0009381200000000, -0.0001436100000000, 0.0003200100000000 ] - [ -0.0009307400000000, 0.0000482400000000, -0.0003166700000000 ] - [ 0.0001587600000000, -0.0017252300000000, 0.0002653200000000 ] - [ 0.0000682800000000, -0.0001259300000000, 0.0000016600000000 ] - [ -0.0008816400000000, -0.0018487500000000, -0.0002271400000000 ] - [ -0.0001934000000000, -0.0000011600000000, -0.0002709500000000 ] - [ -0.0005358800000000, 0.0000398100000000, -0.0004531500000000 ] - [ 0.0009024900000000, -0.0000082300000000, 0.0002501100000000 ] - [ -0.0000811600000000, 0.0000005500000000, -0.0000079300000000 ] - [ 0.0005252800000000, 0.0000065300000000, 0.0004475100000000 ] - [ 0.0009290800000000, 0.0006202700000000, 0.0003170800000000 ] - [ -0.0009493300000000, -0.0000062600000000, -0.0003240100000000 ] - [ 0.0001748000000000, 0.0000227800000000, 0.0002701500000000 ] - [ -0.0012320800000000, 0.0012311700000000, -0.0002141500000000 ] - [ -0.0005292000000000, -0.0001276000000000, -0.0001913200000000 ] - [ 0.0000760300000000, 0.0000083400000000, -0.0001669100000000 ] - [ 0.0001248100000000, 0.0007392000000000, 0.0000369400000000 ] - [ 0.0000949900000000, -0.0000098000000000, 0.0001100200000000 ] - [ -0.0609907900000000, 0.0093544900000000, -0.0205881700000000 ] - [ -0.0003655400000000, -0.1308529800000000, -0.0001537100000000 ] - [ 0.0000305000000000, 0.0004679600000000, 0.0000025300000000 ] - [ 0.0600744500000000, 0.0096501600000000, 0.0204334200000000 ] - [ 0.0000253600000000, -0.0004668200000000, 0.0000023300000000 ] - [ 0.0003478300000000, -0.0001010000000000, 0.0001149900000000 ] - [ 0.0000665700000000, 0.0000056200000000, -0.0001760900000000 ] - [ -0.0000181800000000, -0.0004587500000000, -0.0000114200000000 ] - [ -0.0008517800000000, 0.0014320700000000, -0.0007355000000000 ] - [ -0.0001040600000000, 0.0000408800000000, -0.0001111400000000 ] - [ 0.0006805300000000, -0.0001061200000000, 0.0003076600000000 ] - [ 0.0002494400000000, 0.0000304400000000, -0.0000013400000000 ] - [ -0.0007788000000000, 0.0000605200000000, -0.0002837900000000 ] - [ 0.0001731500000000, 0.0011839600000000, 0.0006056100000000 ] - [ -0.0001681500000000, -0.0000002800000000, -0.0000359000000000 ] - [ 0.0009443300000000, 0.0000034700000000, 0.0001519900000000 ] - [ 0.0002496700000000, -0.0000308200000000, -0.0000015000000000 ] - [ 0.0000548300000000, -0.0000005200000000, -0.0002591200000000 ] - [ 0.0005552500000000, -0.0000005500000000, 0.0002032000000000 ] - [ -0.0000399400000000, 0.0004748800000000, 0.0000124500000000 ] - [ 0.0011394200000000, 0.0012249200000000, 0.0005503500000000 ] - [ -0.0005304900000000, -0.0000432500000000, -0.0002522600000000 ] - [ 0.0003439400000000, 0.0000973900000000, 0.0001105000000000 ] - [ -0.0009257300000000, 0.0003453800000000, -0.0001475000000000 ] - [ 0.0006233700000000, -0.0000056500000000, 0.0002168300000000 ] - [ -0.0000779400000000, 0.0000054800000000, 0.0001607600000000 ] - [ -0.0005428500000000, -0.0000013200000000, -0.0001971400000000 ] - [ 0.0000748400000000, -0.0000028100000000, -0.0001728200000000 ] - [ 0.0001838300000000, 0.0000005200000000, 0.0000391500000000 ] - [ 0.0001129200000000, 0.0000016700000000, 0.0001124900000000 ] - [ -0.0002426100000000, -0.0000308000000000, 0.0000025300000000 ] - [ -0.0000425200000000, 0.0000011000000000, 0.0002625000000000 ] - [ -0.0002902200000000, 0.0010596700000000, 0.0006339400000000 ] - [ -0.0002397000000000, 0.0000312700000000, 0.0000032100000000 ] - [ 0.0003219700000000, 0.0001543200000000, -0.0006616700000000 ] - [ 0.0003273100000000, -0.0001165600000000, 0.0001232500000000 ] - [ 0.0000757800000000, 0.0000048500000000, -0.0001713900000000 ] - [ -0.0000172500000000, -0.0004639500000000, -0.0000016400000000 ] - [ -0.0003368000000000, 0.0001013000000000, -0.0001080200000000 ] - [ -0.0000860600000000, 0.0004196300000000, -0.0001047300000000 ] - [ 0.0006595100000000, -0.0000525600000000, 0.0002654200000000 ] - [ 0.0002224000000000, 0.0001284800000000, -0.0000921200000000 ] - [ -0.0008692300000000, -0.0000812700000000, -0.0004814800000000 ] - [ -0.0003358600000000, -0.0001021600000000, -0.0001078700000000 ] - [ -0.0001839300000000, 0.0000036400000000, -0.0000389100000000 ] - [ 0.0009540100000000, 0.0000002100000000, 0.0001471700000000 ] - [ 0.0002666700000000, 0.0000731700000000, 0.0000975600000000 ] - [ 0.0000495900000000, 0.0000179600000000, -0.0002612000000000 ] - [ 0.0005503600000000, -0.0000022600000000, 0.0001956500000000 ] - [ -0.0000191400000000, 0.0004650900000000, -0.0000004400000000 ] - [ -0.0000527000000000, 0.0000056800000000, 0.0001854500000000 ] - [ -0.0004247600000000, -0.0001802600000000, -0.0000431300000000 ] - [ 0.0003505300000000, 0.0000853200000000, 0.0000916700000000 ] - [ -0.0009371000000000, 0.0000519200000000, -0.0001507800000000 ] - [ 0.0006647800000000, 0.0000572900000000, 0.0002715500000000 ] - [ 0.0000579000000000, -0.0000020200000000, -0.0001523000000000 ] - [ 0.0002028300000000, 0.0000008700000000, 0.0001716600000000 ] - [ -0.0000712000000000, -0.0004201300000000, 0.0001650000000000 ] - [ -0.0001999900000000, 0.0065379700000000, -0.0002419500000000 ] - [ 0.0000656100000000, -0.0007571500000000, -0.0001421100000000 ] - [ 0.0002051000000000, -0.0000064700000000, 0.0001756300000000 ] - [ -0.0000527300000000, 0.0000000700000000, 0.0001531300000000 ] - [ -0.0001986000000000, -0.0000019500000000, -0.0001721500000000 ]- atom: 47 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0006074100000000, 0.0000000000000000, -0.0008665100000000 ] - [ -0.0009949100000000, 0.0000000000000000, -0.0020816100000000 ] - [ -0.0074448300000000, 0.0000000000000000, 0.0109368300000000 ] - [ -0.0020397900000000, 0.0000000000000000, 0.0005509800000000 ] - [ -0.0008769400000000, 0.0000000000000000, -0.0029147400000000 ] - [ 0.0037375000000000, 0.0000000000000000, -0.0016093300000000 ] - [ -0.0003554500000000, 0.0000000000000000, -0.0005105400000000 ] - [ -0.0000627500000000, 0.0000000000000000, -0.0001696400000000 ] - [ -0.0005168000000000, 0.0000000000000000, -0.0001822200000000 ] - [ -0.0001186100000000, 0.0000000000000000, 0.0004495700000000 ] - [ -0.0000017600000000, 0.0000000000000000, -0.0000687500000000 ] - [ -0.0005262700000000, 0.0000000000000000, 0.0000267700000000 ] - [ -0.0003075700000000, 0.0000000000000000, -0.0014168600000000 ] - [ 0.0001690200000000, 0.0000000000000000, 0.0167921900000000 ] - [ -0.0003862300000000, 0.0000000000000000, 0.0007191100000000 ] - [ 0.0007835200000000, 0.0000000000000000, -0.0035140900000000 ] - [ 0.0008299900000000, 0.0000000000000000, -0.0016254800000000 ] - [ -0.0008868700000000, 0.0000000000000000, 0.0007667900000000 ] - [ -0.0031223200000000, 0.0000000000000000, 0.0000697100000000 ] - [ -0.0003847700000000, 0.0000000000000000, 0.0002837000000000 ] - [ -0.0002722500000000, 0.0000000000000000, -0.0001314900000000 ] - [ -0.0014020900000000, 0.0000000000000000, -0.0003889000000000 ] - [ -0.0003033000000000, 0.0000000000000000, -0.0005303000000000 ] - [ -0.0019093600000000, 0.0000000000000000, -0.0010898500000000 ] - [ 0.0016983700000000, 0.0000000000000000, 0.0003157500000000 ] - [ 0.0656837700000000, 0.0000000000000000, 0.1029560200000000 ] - [ -0.0067838800000000, 0.0000000000000000, -0.0027990100000000 ] - [ 0.0020692100000000, 0.0000000000000000, 0.0007331700000000 ] - [ -0.0014308200000000, 0.0000000000000000, -0.0005567400000000 ] - [ -0.0011126100000000, 0.0000000000000000, -0.0000050000000000 ] - [ -0.0001945000000000, 0.0000000000000000, -0.0002128200000000 ] - [ 0.0034542000000000, 0.0000000000000000, 0.0019468400000000 ] - [ -0.0004074800000000, 0.0000000000000000, -0.0002825700000000 ] - [ -0.0001172500000000, 0.0000000000000000, -0.0002542000000000 ] - [ 0.0004160700000000, 0.0000000000000000, 0.0000892300000000 ] - [ -0.0003041800000000, 0.0000000000000000, -0.0000709700000000 ] - [ 0.0003633000000000, 0.0000000000000000, 0.0003977500000000 ] - [ 0.0000423600000000, 0.0000000000000000, 0.0000345700000000 ] - [ -0.0013122100000000, 0.0000000000000000, -0.0004466900000000 ] - [ -0.0005424700000000, 0.0000000000000000, 0.0002297200000000 ] - [ 0.0019192700000000, -0.0003362600000000, -0.0016110600000000 ] - [ 0.0038677300000000, 0.0000000000000000, 0.0009170600000000 ] - [ 0.0003658600000000, 0.0000648800000000, 0.0003194300000000 ] - [ -0.0040928600000000, 0.0000000000000000, -0.0007948300000000 ] - [ 0.0003657100000000, 0.0000000000000000, 0.0007768600000000 ] - [ 0.0221988500000000, -0.0097629600000000, -0.0183963500000000 ] - [ -0.1047748600000000, 0.0000000000000000, -0.0984270500000000 ] - [ 0.0004167600000000, 0.0004633900000000, -0.0002168000000000 ] - [ 0.0221988500000000, 0.0097629600000000, -0.0183963500000000 ] - [ 0.0004167600000000, -0.0004633900000000, -0.0002168000000000 ] - [ 0.0009360500000000, 0.0002188900000000, 0.0004862900000000 ] - [ 0.0003658600000000, -0.0000648800000000, 0.0003194300000000 ] - [ -0.0005260200000000, -0.0003985500000000, 0.0010495800000000 ] - [ 0.0019950400000000, -0.0012842800000000, 0.0074331100000000 ] - [ -0.0008105300000000, 0.0000000000000000, -0.0005033100000000 ] - [ 0.0005953500000000, -0.0004019100000000, 0.0012018000000000 ] - [ 0.0004711200000000, 0.0000017200000000, 0.0001247300000000 ] - [ -0.0019123300000000, -0.0003153500000000, -0.0005604200000000 ] - [ 0.0019950400000000, 0.0012842800000000, 0.0074331100000000 ] - [ 0.0002737200000000, 0.0000000000000000, 0.0000488300000000 ] - [ 0.0005606500000000, 0.0000000000000000, 0.0012655200000000 ] - [ 0.0004711200000000, -0.0000017200000000, 0.0001247300000000 ] - [ 0.0002265400000000, 0.0000000000000000, 0.0000341500000000 ] - [ 0.0017473800000000, 0.0000000000000000, 0.0004908000000000 ] - [ -0.0005260200000000, 0.0003985500000000, 0.0010495800000000 ] - [ 0.0019192700000000, 0.0003362600000000, -0.0016110600000000 ] - [ -0.0019123300000000, 0.0003153500000000, -0.0005604200000000 ] - [ 0.0009360500000000, -0.0002188900000000, 0.0004862900000000 ] - [ 0.0010108500000000, 0.0000000000000000, -0.0003907000000000 ] - [ 0.0005953500000000, 0.0004019100000000, 0.0012018000000000 ] - [ 0.0002269800000000, -0.0001105500000000, 0.0001222100000000 ] - [ -0.0004127300000000, 0.0000000000000000, -0.0001702100000000 ] - [ 0.0001361100000000, -0.0000657000000000, -0.0000338700000000 ] - [ 0.0006206100000000, 0.0000000000000000, 0.0000589900000000 ] - [ 0.0003693200000000, 0.0000000000000000, 0.0002300700000000 ] - [ -0.0001271200000000, -0.0000541400000000, -0.0000198800000000 ] - [ 0.0001464000000000, 0.0000000000000000, 0.0002370800000000 ] - [ -0.0010435100000000, -0.0008162900000000, -0.0017564300000000 ] - [ -0.0001271200000000, 0.0000541400000000, -0.0000198800000000 ] - [ -0.0010435100000000, 0.0008162900000000, -0.0017564300000000 ] - [ -0.0000548200000000, -0.0000581200000000, 0.0001986100000000 ] - [ 0.0001361100000000, 0.0000657000000000, -0.0000338700000000 ] - [ 0.0001934700000000, -0.0003528500000000, 0.0001163600000000 ] - [ -0.0002019400000000, 0.0001091300000000, -0.0001490800000000 ] - [ 0.0008998200000000, 0.0000000000000000, 0.0002402000000000 ] - [ 0.0008745200000000, -0.0000967100000000, 0.0003857100000000 ] - [ 0.0003219500000000, -0.0000081500000000, 0.0005115700000000 ] - [ -0.0000165200000000, -0.0000747800000000, 0.0000554600000000 ] - [ -0.0002019400000000, -0.0001091300000000, -0.0001490800000000 ] - [ -0.0009344000000000, 0.0000000000000000, 0.0002390200000000 ] - [ 0.0011429100000000, 0.0000000000000000, 0.0001652800000000 ] - [ 0.0003219500000000, 0.0000081500000000, 0.0005115700000000 ] - [ 0.0002059600000000, 0.0000000000000000, -0.0000486600000000 ] - [ 0.0003091300000000, 0.0000000000000000, -0.0000476900000000 ] - [ 0.0001934700000000, 0.0003528500000000, 0.0001163600000000 ] - [ 0.0002269800000000, 0.0001105500000000, 0.0001222100000000 ] - [ -0.0000165200000000, 0.0000747800000000, 0.0000554600000000 ] - [ -0.0000548200000000, 0.0000581200000000, 0.0001986100000000 ] - [ -0.0001039500000000, 0.0000000000000000, -0.0006595000000000 ] - [ 0.0008745200000000, 0.0000967100000000, 0.0003857100000000 ] - [ -0.0000177600000000, 0.0000000000000000, -0.0001723600000000 ] - [ 0.0001259400000000, 0.0000000000000000, 0.0005768200000000 ] - [ 0.0002431300000000, 0.0000000000000000, 0.0032871400000000 ] - [ -0.0005894500000000, 0.0000000000000000, -0.0023785500000000 ] - [ 0.0000707000000000, 0.0000000000000000, 0.0002319600000000 ] - [ 0.0002807300000000, 0.0000000000000000, 0.0006692200000000 ] - [ 0.0000546300000000, 0.0000000000000000, 0.0002502000000000 ] - [ -0.0000599200000000, 0.0000000000000000, -0.0002187000000000 ]- atom: 47 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0006618100000000, 0.0000000000000000, 0.0011958800000000 ] - [ 0.0010403500000000, 0.0000000000000000, 0.0020146400000000 ] - [ 0.0078625700000000, 0.0000000000000000, -0.0115160100000000 ] - [ 0.0017471300000000, 0.0000000000000000, -0.0005407100000000 ] - [ 0.0011595000000000, 0.0000000000000000, 0.0028945200000000 ] - [ -0.0036986400000000, 0.0000000000000000, 0.0015961200000000 ] - [ 0.0003015300000000, 0.0000000000000000, 0.0008128700000000 ] - [ 0.0000491200000000, 0.0000000000000000, 0.0001682800000000 ] - [ 0.0005424600000000, 0.0000000000000000, -0.0001406300000000 ] - [ -0.0001755700000000, 0.0000000000000000, -0.0004235900000000 ] - [ 0.0002837100000000, 0.0000000000000000, 0.0000529800000000 ] - [ 0.0005168300000000, 0.0000000000000000, -0.0000279500000000 ] - [ 0.0009986500000000, 0.0000000000000000, 0.0004488400000000 ] - [ -0.0007947400000000, 0.0000000000000000, -0.0157900100000000 ] - [ 0.0002763400000000, 0.0000000000000000, -0.0019483700000000 ] - [ -0.0006645800000000, 0.0000000000000000, 0.0047417600000000 ] - [ -0.0001179800000000, 0.0000000000000000, 0.0006434000000000 ] - [ 0.0001676800000000, 0.0000000000000000, 0.0002048800000000 ] - [ 0.0029490200000000, 0.0000000000000000, -0.0012408300000000 ] - [ 0.0004577900000000, 0.0000000000000000, 0.0009291900000000 ] - [ 0.0004025600000000, 0.0000000000000000, 0.0001364200000000 ] - [ -0.0004431000000000, 0.0000000000000000, -0.0001257400000000 ] - [ -0.0000669300000000, 0.0000000000000000, -0.0000121200000000 ] - [ 0.0008502800000000, 0.0000000000000000, 0.0001910000000000 ] - [ 0.0001555800000000, 0.0000000000000000, 0.0001989600000000 ] - [ -0.0662885000000000, 0.0000000000000000, -0.1020676000000000 ] - [ 0.0077839900000000, 0.0000000000000000, 0.0037037500000000 ] - [ -0.0001804800000000, 0.0000000000000000, -0.0000886600000000 ] - [ -0.0004499600000000, 0.0000000000000000, -0.0000848400000000 ] - [ 0.0014926700000000, 0.0000000000000000, 0.0005442700000000 ] - [ 0.0003438900000000, 0.0000000000000000, 0.0002202800000000 ] - [ -0.0052448500000000, 0.0000000000000000, -0.0024345100000000 ] - [ 0.0000183700000000, 0.0000000000000000, -0.0002605000000000 ] - [ -0.0009402800000000, 0.0000000000000000, -0.0006446200000000 ] - [ 0.0014038100000000, 0.0000000000000000, 0.0004165100000000 ] - [ 0.0001468700000000, 0.0000000000000000, 0.0000578200000000 ] - [ 0.0006894500000000, 0.0000000000000000, 0.0004990700000000 ] - [ 0.0018510300000000, 0.0000000000000000, 0.0006104700000000 ] - [ -0.0006205000000000, 0.0000000000000000, -0.0002131800000000 ] - [ 0.0008884100000000, 0.0000000000000000, 0.0003108600000000 ] - [ -0.0020680400000000, 0.0003367900000000, 0.0019655500000000 ] - [ -0.0049485700000000, 0.0000000000000000, -0.0013167300000000 ] - [ -0.0002157400000000, -0.0000689700000000, -0.0006675900000000 ] - [ 0.0044149700000000, 0.0000000000000000, 0.0008569700000000 ] - [ -0.0001822300000000, 0.0000000000000000, -0.0005636000000000 ] - [ -0.0225478400000000, 0.0096592200000000, 0.0187311500000000 ] - [ 0.1043634100000000, 0.0000000000000000, 0.0975171900000000 ] - [ -0.0003612200000000, 0.0004711100000000, 0.0002228300000000 ] - [ -0.0225478400000000, -0.0096592200000000, 0.0187311500000000 ] - [ -0.0003612200000000, -0.0004711100000000, 0.0002228300000000 ] - [ -0.0002505400000000, -0.0004251500000000, -0.0002664200000000 ] - [ -0.0002157400000000, 0.0000689700000000, -0.0006675900000000 ] - [ 0.0004654500000000, -0.0005380000000000, -0.0010555400000000 ] - [ -0.0026464900000000, 0.0014369700000000, -0.0075453900000000 ] - [ 0.0006183300000000, 0.0000000000000000, 0.0002906600000000 ] - [ 0.0007064800000000, 0.0003024000000000, -0.0006830100000000 ] - [ 0.0000282700000000, 0.0000570000000000, -0.0001285000000000 ] - [ 0.0006248700000000, 0.0004250200000000, 0.0000314600000000 ] - [ -0.0026464900000000, -0.0014369700000000, -0.0075453900000000 ] - [ -0.0006141600000000, 0.0000000000000000, -0.0001222300000000 ] - [ 0.0013307100000000, 0.0000000000000000, -0.0009726900000000 ] - [ 0.0000282700000000, -0.0000570000000000, -0.0001285000000000 ] - [ -0.0001144500000000, 0.0000000000000000, -0.0005569900000000 ] - [ -0.0006453900000000, 0.0000000000000000, -0.0000920100000000 ] - [ 0.0004654500000000, 0.0005380000000000, -0.0010555400000000 ] - [ -0.0020680400000000, -0.0003367900000000, 0.0019655500000000 ] - [ 0.0006248700000000, -0.0004250200000000, 0.0000314600000000 ] - [ -0.0002505400000000, 0.0004251500000000, -0.0002664200000000 ] - [ -0.0029004000000000, 0.0000000000000000, 0.0000971600000000 ] - [ 0.0007064800000000, -0.0003024000000000, -0.0006830100000000 ] - [ -0.0003640200000000, 0.0001120100000000, 0.0002257900000000 ] - [ -0.0006751900000000, 0.0000000000000000, -0.0002240800000000 ] - [ 0.0000113400000000, 0.0000638700000000, -0.0003127700000000 ] - [ -0.0002604800000000, 0.0000000000000000, 0.0000152200000000 ] - [ -0.0001547600000000, 0.0000000000000000, -0.0000114100000000 ] - [ -0.0003579000000000, -0.0000079500000000, 0.0000269700000000 ] - [ -0.0002418600000000, 0.0000000000000000, 0.0002876000000000 ] - [ 0.0010829200000000, 0.0017364600000000, 0.0017418800000000 ] - [ -0.0003579000000000, 0.0000079500000000, 0.0000269700000000 ] - [ 0.0010829200000000, -0.0017364600000000, 0.0017418800000000 ] - [ 0.0007331500000000, -0.0001482600000000, 0.0000181100000000 ] - [ 0.0000113400000000, -0.0000638700000000, -0.0003127700000000 ] - [ -0.0002367000000000, -0.0005766700000000, -0.0001190400000000 ] - [ -0.0004734700000000, 0.0001003900000000, -0.0000677900000000 ] - [ -0.0010685000000000, 0.0000000000000000, -0.0004458500000000 ] - [ 0.0004409900000000, -0.0000119800000000, 0.0001479900000000 ] - [ 0.0001611500000000, 0.0000656700000000, -0.0005132700000000 ] - [ -0.0012751400000000, 0.0001760400000000, -0.0005785100000000 ] - [ -0.0004734700000000, -0.0001003900000000, -0.0000677900000000 ] - [ 0.0005716500000000, 0.0000000000000000, -0.0003147800000000 ] - [ 0.0007628600000000, 0.0000000000000000, 0.0001283400000000 ] - [ 0.0001611500000000, -0.0000656700000000, -0.0005132700000000 ] - [ -0.0001099800000000, 0.0000000000000000, -0.0004770800000000 ] - [ 0.0007840500000000, 0.0000000000000000, 0.0004390500000000 ] - [ -0.0002367000000000, 0.0005766700000000, -0.0001190400000000 ] - [ -0.0003640200000000, -0.0001120100000000, 0.0002257900000000 ] - [ -0.0012751400000000, -0.0001760400000000, -0.0005785100000000 ] - [ 0.0007331500000000, 0.0001482600000000, 0.0000181100000000 ] - [ -0.0017631700000000, 0.0000000000000000, 0.0003566200000000 ] - [ 0.0004409900000000, 0.0000119800000000, 0.0001479900000000 ] - [ 0.0001412100000000, 0.0000000000000000, -0.0001324100000000 ] - [ 0.0002880600000000, 0.0000000000000000, -0.0002369500000000 ] - [ -0.0003902000000000, 0.0000000000000000, -0.0030359100000000 ] - [ 0.0001708300000000, 0.0000000000000000, 0.0020300100000000 ] - [ 0.0000592600000000, 0.0000000000000000, -0.0005115200000000 ] - [ 0.0001297200000000, 0.0000000000000000, -0.0003165200000000 ] - [ -0.0001682500000000, 0.0000000000000000, 0.0000550100000000 ] - [ -0.0003441600000000, 0.0000000000000000, -0.0001237600000000 ]- atom: 48 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0007804000000000, -0.0000090800000000, -0.0007274400000000 ] - [ -0.0014260800000000, 0.0000000800000000, -0.0004396500000000 ] - [ -0.0011311000000000, -0.0000060300000000, -0.0018807600000000 ] - [ 0.0028623400000000, -0.0007680100000000, 0.0014174200000000 ] - [ -0.0009176500000000, 0.0000121500000000, 0.0013389700000000 ] - [ -0.0018514300000000, -0.0000000700000000, 0.0001079700000000 ] - [ -0.0011466300000000, 0.0000003500000000, -0.0000966100000000 ] - [ 0.0027880000000000, -0.0000986500000000, 0.0011954900000000 ] - [ -0.0010841600000000, 0.0000091600000000, 0.0009490400000000 ] - [ -0.0024271300000000, 0.0000012700000000, -0.0000545900000000 ] - [ -0.0015004800000000, 0.0000349100000000, -0.0016695700000000 ] - [ 0.0084983700000000, -0.0017197000000000, -0.0028142300000000 ] - [ 0.0045462100000000, 0.0003632700000000, 0.0009825700000000 ] - [ -0.0041128300000000, 0.0000298700000000, 0.0001166800000000 ] - [ 0.0101273500000000, -0.0026269500000000, -0.0019000400000000 ] - [ -0.0014755200000000, 0.0000013200000000, 0.0003621800000000 ] - [ -0.0018853400000000, 0.0000035800000000, -0.0008869400000000 ] - [ -0.0098742800000000, 0.0003053200000000, 0.0079525900000000 ] - [ -0.0029071500000000, 0.0000001600000000, -0.0005280000000000 ] - [ 0.0011168400000000, -0.0000245200000000, -0.0006202700000000 ] - [ 0.0027983300000000, -0.0000133800000000, 0.0006639800000000 ] - [ 0.1494971800000000, 0.1078146600000000, 0.0227725000000000 ] - [ -0.0001611600000000, 0.0000615400000000, -0.0001658300000000 ] - [ 0.0027662200000000, -0.0030355800000000, 0.0015284700000000 ] - [ -0.0007325600000000, -0.0000019600000000, -0.0002350000000000 ] - [ -0.0020945800000000, 0.0000065200000000, -0.0006878000000000 ] - [ -0.0022993900000000, 0.0000349300000000, -0.0009974000000000 ] - [ 0.0005817000000000, 0.0004333000000000, -0.0002517800000000 ] - [ -0.0018002900000000, -0.0000023600000000, -0.0006376600000000 ] - [ -0.0043605200000000, 0.0011306700000000, 0.0005209900000000 ] - [ -0.0013749100000000, -0.0000000400000000, -0.0004598900000000 ] - [ -0.0031918100000000, 0.0000006200000000, -0.0009677100000000 ] - [ -0.0015879500000000, 0.0000058800000000, -0.0004249200000000 ] - [ -0.0025322800000000, -0.0000014800000000, -0.0013260800000000 ] - [ 0.0014002700000000, 0.0001999900000000, -0.0001809200000000 ] - [ 0.0010031200000000, 0.0022747200000000, 0.0005481200000000 ] - [ -0.0027102400000000, -0.0006820800000000, -0.0012168700000000 ] - [ -0.0004363100000000, 0.0000019400000000, -0.0001050900000000 ] - [ -0.0009854800000000, 0.0000048900000000, -0.0001998200000000 ] - [ -0.0027408000000000, -0.0000234600000000, 0.0001299500000000 ] - [ 0.0021863200000000, -0.0005327200000000, 0.0007143400000000 ] - [ 0.0029962200000000, 0.0001920900000000, -0.0010204800000000 ] - [ -0.0002499100000000, -0.0001908000000000, -0.0004651700000000 ] - [ 0.0022602700000000, 0.0000016600000000, 0.0001502100000000 ] - [ 0.0008276400000000, 0.0000012000000000, 0.0002812100000000 ] - [ 0.0010340400000000, -0.0002171100000000, 0.0003595000000000 ] - [ 0.0015236900000000, 0.0000029500000000, 0.0007825400000000 ] - [ -0.1993588200000000, -0.1649751300000000, -0.0475542200000000 ] - [ 0.0010385300000000, 0.0002134200000000, 0.0003639700000000 ] - [ -0.0291112200000000, -0.0008479400000000, -0.0025387000000000 ] - [ -0.0008715100000000, 0.0006481800000000, -0.0041599700000000 ] - [ -0.0003017100000000, 0.0001247100000000, -0.0004162900000000 ] - [ 0.0007888600000000, -0.0001979400000000, 0.0000481100000000 ] - [ 0.0009081400000000, 0.0007594500000000, 0.0002163700000000 ] - [ -0.0015883400000000, -0.0004176400000000, 0.0022734700000000 ] - [ 0.0010038400000000, -0.0002621800000000, 0.0006406100000000 ] - [ -0.0012644200000000, 0.0003694000000000, -0.0001494200000000 ] - [ -0.0006418800000000, -0.0000267500000000, 0.0001730800000000 ] - [ 0.0008882600000000, -0.0007216700000000, 0.0001236300000000 ] - [ -0.0026692500000000, -0.0000856300000000, 0.0023692600000000 ] - [ 0.0011236800000000, -0.0000095600000000, -0.0001638000000000 ] - [ -0.0012454200000000, -0.0003589600000000, -0.0001453800000000 ] - [ -0.0018347100000000, 0.0000119200000000, -0.0009129100000000 ] - [ -0.0010701600000000, 0.0000701000000000, -0.0023493600000000 ] - [ 0.0007873400000000, 0.0001984300000000, 0.0000489900000000 ] - [ 0.0028518200000000, 0.0004058900000000, 0.0009040100000000 ] - [ -0.0009887400000000, -0.0002478800000000, 0.0003767900000000 ] - [ -0.0029257400000000, 0.0014480900000000, -0.0009900100000000 ] - [ 0.0043502700000000, 0.0023553700000000, 0.0018401900000000 ] - [ 0.0010062600000000, 0.0002656200000000, 0.0006433300000000 ] - [ 0.0017861100000000, -0.0000455400000000, -0.0000119200000000 ] - [ 0.0026099700000000, 0.0001938400000000, 0.0011467800000000 ] - [ 0.0009697200000000, -0.0000764300000000, 0.0000870800000000 ] - [ 0.0621010900000000, 0.0596065700000000, 0.0252432400000000 ] - [ -0.0001168300000000, -0.0000012200000000, 0.0003210400000000 ] - [ 0.0003257700000000, -0.0016387100000000, -0.0042648700000000 ] - [ -0.0006336100000000, -0.0003043000000000, -0.0008592200000000 ] - [ 0.0011778800000000, 0.0008713900000000, 0.0002337100000000 ] - [ -0.0030070000000000, -0.0001058600000000, -0.0016622700000000 ] - [ 0.0011776000000000, -0.0008707200000000, 0.0002328800000000 ] - [ 0.0013490900000000, 0.0002791400000000, 0.0004898200000000 ] - [ 0.0009716500000000, 0.0000735800000000, 0.0000906600000000 ] - [ -0.0001476700000000, -0.0007665200000000, 0.0009819600000000 ] - [ 0.0024049800000000, 0.0019128900000000, 0.0011865500000000 ] - [ 0.0010099800000000, 0.0000002100000000, 0.0001500400000000 ] - [ 0.0008136800000000, 0.0000382500000000, 0.0001336600000000 ] - [ 0.0011230700000000, -0.0001103100000000, 0.0002374000000000 ] - [ 0.0001630900000000, -0.0001243400000000, -0.0001748600000000 ] - [ 0.0015475800000000, -0.0008776400000000, 0.0008778200000000 ] - [ 0.0012998500000000, 0.0000005100000000, 0.0000530000000000 ] - [ 0.0018440700000000, 0.0000023600000000, 0.0006278700000000 ] - [ 0.0011234600000000, 0.0001106300000000, 0.0002369200000000 ] - [ 0.0011629200000000, 0.0000002400000000, 0.0000460700000000 ] - [ 0.0021941300000000, 0.0000026800000000, 0.0006795300000000 ] - [ -0.0001892100000000, 0.0005221700000000, 0.0007753800000000 ] - [ 0.0018387300000000, 0.0000369900000000, 0.0000163600000000 ] - [ 0.0001628000000000, 0.0001234400000000, -0.0001746700000000 ] - [ 0.0013486400000000, -0.0002779500000000, 0.0004889200000000 ] - [ 0.0016532600000000, 0.0000059900000000, -0.0003638400000000 ] - [ 0.0008118400000000, -0.0000409900000000, 0.0001325800000000 ] - [ -0.0018724100000000, -0.0002694100000000, 0.0013573700000000 ] - [ -0.0005587800000000, 0.0000000100000000, 0.0004435100000000 ] - [ 0.0005218700000000, -0.0000001900000000, 0.0004641100000000 ] - [ 0.0004678500000000, -0.0000055400000000, 0.0003310200000000 ] - [ 0.0007002400000000, 0.0000000200000000, -0.0001151200000000 ] - [ 0.0007302000000000, 0.0000002200000000, 0.0002767500000000 ] - [ -0.0004918100000000, -0.0000194300000000, -0.0002797000000000 ] - [ 0.0001546000000000, 0.0000596500000000, -0.0019915100000000 ]- atom: 48 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0008438200000000, 0.0000093700000000, 0.0010465400000000 ] - [ 0.0014294300000000, 0.0000001800000000, 0.0004425200000000 ] - [ 0.0011875300000000, 0.0000070900000000, 0.0015648300000000 ] - [ -0.0035651400000000, 0.0009589700000000, -0.0012738000000000 ] - [ 0.0012073800000000, -0.0000124200000000, -0.0013620100000000 ] - [ 0.0018638300000000, -0.0000001500000000, -0.0001100900000000 ] - [ 0.0010903500000000, 0.0000005400000000, 0.0004256300000000 ] - [ -0.0027887300000000, 0.0000988200000000, -0.0012120700000000 ] - [ 0.0011529300000000, -0.0000093100000000, -0.0012813400000000 ] - [ 0.0021489500000000, -0.0000006400000000, 0.0000653900000000 ] - [ 0.0017949700000000, -0.0000344200000000, 0.0016628300000000 ] - [ -0.0084330800000000, 0.0016684900000000, 0.0029602300000000 ] - [ -0.0038698600000000, -0.0003605900000000, -0.0019617600000000 ] - [ 0.0034353400000000, -0.0000366900000000, 0.0008701900000000 ] - [ -0.0103318400000000, 0.0026901500000000, 0.0006567700000000 ] - [ 0.0015859400000000, 0.0000005200000000, 0.0008421600000000 ] - [ 0.0025872000000000, 0.0000000500000000, -0.0000891500000000 ] - [ 0.0091832200000000, -0.0002965400000000, -0.0069605400000000 ] - [ 0.0028059200000000, -0.0000013800000000, -0.0006770800000000 ] - [ -0.0010067300000000, 0.0000259500000000, 0.0018416100000000 ] - [ -0.0026551200000000, 0.0000123200000000, -0.0006540900000000 ] - [ -0.1497960600000000, -0.1020206800000000, -0.0222893600000000 ] - [ -0.0002277600000000, -0.0000607100000000, -0.0003779700000000 ] - [ -0.0038535200000000, 0.0030438200000000, -0.0024411000000000 ] - [ 0.0025736900000000, 0.0000013600000000, 0.0007457300000000 ] - [ 0.0019523600000000, -0.0000084600000000, 0.0006814200000000 ] - [ 0.0033564400000000, -0.0000365800000000, 0.0019007300000000 ] - [ 0.0013140300000000, -0.0004351500000000, 0.0009047200000000 ] - [ -0.0001176500000000, 0.0000031600000000, -0.0000185900000000 ] - [ 0.0047360600000000, -0.0011373200000000, 0.0000195300000000 ] - [ 0.0015297900000000, 0.0000012300000000, 0.0004712900000000 ] - [ 0.0013639800000000, 0.0000033300000000, 0.0004605400000000 ] - [ 0.0012138400000000, -0.0000056700000000, -0.0001152400000000 ] - [ 0.0014931400000000, 0.0000008400000000, 0.0004353700000000 ] - [ 0.0004269800000000, -0.0001998700000000, 0.0006883200000000 ] - [ -0.0011182000000000, -0.0022775100000000, -0.0005567600000000 ] - [ 0.0037606100000000, 0.0006782700000000, 0.0021124400000000 ] - [ 0.0023681600000000, -0.0000002400000000, 0.0007665300000000 ] - [ -0.0009341900000000, 0.0000018500000000, -0.0004566200000000 ] - [ 0.0031335800000000, 0.0000200000000000, 0.0004117200000000 ] - [ -0.0023358000000000, 0.0005299600000000, -0.0003705000000000 ] - [ -0.0041361600000000, -0.0001965700000000, 0.0006383700000000 ] - [ 0.0003995300000000, 0.0001892100000000, 0.0001199300000000 ] - [ -0.0019156600000000, -0.0000015800000000, -0.0000735800000000 ] - [ -0.0006148200000000, -0.0000007900000000, -0.0000615200000000 ] - [ -0.0015333600000000, 0.0001582800000000, -0.0003550500000000 ] - [ -0.0016330900000000, -0.0000029300000000, -0.0002604800000000 ] - [ 0.1971401900000000, 0.1592026800000000, 0.0455859000000000 ] - [ -0.0015376900000000, -0.0001535000000000, -0.0003588500000000 ] - [ 0.0291243300000000, -0.0007534900000000, 0.0025267200000000 ] - [ 0.0015800000000000, -0.0008465100000000, 0.0044065900000000 ] - [ 0.0004505900000000, -0.0001235800000000, 0.0000719900000000 ] - [ -0.0008378800000000, -0.0007329200000000, -0.0000519300000000 ] - [ -0.0016005200000000, -0.0005616700000000, -0.0004398600000000 ] - [ 0.0013991400000000, 0.0004149300000000, -0.0024834900000000 ] - [ 0.0003102700000000, 0.0001554400000000, -0.0001089700000000 ] - [ 0.0017628000000000, -0.0003105900000000, 0.0001472100000000 ] - [ -0.0006512800000000, 0.0001344100000000, -0.0006972500000000 ] - [ -0.0015799700000000, 0.0005233700000000, -0.0003455700000000 ] - [ 0.0023208200000000, 0.0000878900000000, -0.0024460700000000 ] - [ 0.0007742600000000, 0.0000100600000000, 0.0004612000000000 ] - [ 0.0017430000000000, 0.0003010200000000, 0.0001427900000000 ] - [ 0.0019463500000000, -0.0000117800000000, 0.0003932700000000 ] - [ 0.0021921400000000, -0.0000646600000000, 0.0027705100000000 ] - [ -0.0008369500000000, 0.0007335500000000, -0.0000520500000000 ] - [ -0.0030038400000000, -0.0004003000000000, -0.0005667000000000 ] - [ -0.0003032100000000, 0.0001455500000000, -0.0009064900000000 ] - [ 0.0036383100000000, -0.0012514400000000, 0.0012130200000000 ] - [ -0.0062682200000000, -0.0024036500000000, -0.0021701600000000 ] - [ 0.0003073900000000, -0.0001594400000000, -0.0001130000000000 ] - [ -0.0019374200000000, 0.0000524200000000, 0.0003585200000000 ] - [ -0.0037109500000000, -0.0001913500000000, -0.0015415200000000 ] - [ -0.0008293400000000, 0.0000742000000000, -0.0004349800000000 ] - [ -0.0605285500000000, -0.0582425100000000, -0.0244326500000000 ] - [ 0.0003284600000000, 0.0000020400000000, -0.0001012100000000 ] - [ -0.0008098000000000, 0.0015824400000000, 0.0042462800000000 ] - [ 0.0005101000000000, 0.0003060200000000, 0.0013749700000000 ] - [ -0.0011360700000000, 0.0000570200000000, -0.0002306900000000 ] - [ 0.0024920500000000, 0.0001669000000000, 0.0016739900000000 ] - [ -0.0011353100000000, -0.0000564600000000, -0.0002310800000000 ] - [ -0.0006679600000000, -0.0004816700000000, -0.0002712600000000 ] - [ -0.0008323000000000, -0.0000727000000000, -0.0004377400000000 ] - [ 0.0000968600000000, -0.0001604000000000, -0.0009892500000000 ] - [ -0.0030818600000000, -0.0016999600000000, -0.0014009500000000 ] - [ -0.0012299300000000, -0.0000002200000000, -0.0003701400000000 ] - [ 0.0004968900000000, -0.0001478200000000, 0.0004002400000000 ] - [ -0.0006315700000000, 0.0001692400000000, -0.0002436800000000 ] - [ -0.0014828600000000, 0.0002354400000000, -0.0003598000000000 ] - [ -0.0022378800000000, 0.0006767500000000, -0.0010980800000000 ] - [ -0.0016560500000000, 0.0000004600000000, -0.0001285600000000 ] - [ 0.0000401400000000, -0.0000016300000000, -0.0003296300000000 ] - [ -0.0006318300000000, -0.0001690800000000, -0.0002440900000000 ] - [ -0.0010668800000000, 0.0000000300000000, -0.0005726300000000 ] - [ -0.0011025800000000, -0.0000018000000000, -0.0002854800000000 ] - [ 0.0001381600000000, 0.0004087100000000, -0.0007815400000000 ] - [ -0.0019861800000000, -0.0000396000000000, 0.0003296800000000 ] - [ -0.0014840500000000, -0.0002378300000000, -0.0003594700000000 ] - [ -0.0006677000000000, 0.0004819000000000, -0.0002704000000000 ] - [ -0.0035512000000000, -0.0000058300000000, 0.0000683400000000 ] - [ 0.0004982300000000, 0.0001496100000000, 0.0003995600000000 ] - [ 0.0019951900000000, 0.0002744700000000, -0.0016624700000000 ] - [ 0.0009711100000000, 0.0000003000000000, -0.0001006100000000 ] - [ -0.0006382400000000, 0.0000007100000000, -0.0001626800000000 ] - [ -0.0008780800000000, 0.0000060500000000, -0.0006758400000000 ] - [ -0.0005883300000000, 0.0000000200000000, -0.0001871400000000 ] - [ -0.0003262600000000, 0.0000002200000000, 0.0000644300000000 ] - [ 0.0003743800000000, 0.0000198200000000, 0.0005854900000000 ] - [ -0.0005670000000000, -0.0000588900000000, 0.0016466500000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002514900000000, 0.0000252600000000, -0.0011985400000000 ] - [ -0.0006061400000000, 0.0000000600000000, -0.0001164300000000 ] - [ -0.0010377000000000, -0.0000233200000000, -0.0004895200000000 ] - [ -0.0008976900000000, 0.0061628000000000, 0.0011388300000000 ] - [ -0.0001397600000000, -0.0000056200000000, -0.0000405600000000 ] - [ -0.0005487300000000, -0.0000010800000000, -0.0000211300000000 ] - [ -0.0003097800000000, -0.0000010800000000, 0.0000501500000000 ] - [ 0.0016601900000000, 0.0001810300000000, -0.0002122000000000 ] - [ 0.0000068300000000, -0.0000094000000000, 0.0004578500000000 ] - [ -0.0010873300000000, 0.0000022800000000, -0.0000082700000000 ] - [ -0.0004468300000000, -0.0000050500000000, -0.0010282100000000 ] - [ 0.0028683300000000, -0.0034863000000000, -0.0026245500000000 ] - [ 0.0016862300000000, 0.0004794400000000, -0.0010593200000000 ] - [ -0.0017627900000000, 0.0000327400000000, 0.0009030400000000 ] - [ 0.0036088300000000, -0.0068961900000000, 0.0106470900000000 ] - [ -0.0006773500000000, -0.0000010900000000, 0.0001828700000000 ] - [ -0.0004325400000000, 0.0000019500000000, -0.0007853700000000 ] - [ -0.0066303500000000, 0.0007250800000000, 0.0067900300000000 ] - [ -0.0011240000000000, -0.0000016900000000, -0.0003988900000000 ] - [ 0.0008790300000000, 0.0000676200000000, -0.0001066100000000 ] - [ 0.0009143100000000, 0.0000125100000000, 0.0000582700000000 ] - [ 0.1154457200000000, 0.2748524500000000, 0.0350381800000000 ] - [ -0.0004430900000000, 0.0000878300000000, -0.0003067900000000 ] - [ -0.0005003600000000, -0.0038899500000000, 0.0000980700000000 ] - [ 0.0003077500000000, 0.0000064100000000, 0.0000614000000000 ] - [ -0.0008251800000000, -0.0000024900000000, -0.0002517900000000 ] - [ 0.0007036700000000, -0.0000152300000000, 0.0007406500000000 ] - [ 0.0016713600000000, -0.0003220800000000, 0.0004561700000000 ] - [ -0.0015718300000000, 0.0000064500000000, -0.0005410500000000 ] - [ -0.0037553100000000, 0.0011516000000000, 0.0006213500000000 ] - [ -0.0004874200000000, 0.0000061700000000, -0.0001788900000000 ] - [ -0.0016732000000000, 0.0000049100000000, -0.0004885400000000 ] - [ -0.0005315800000000, 0.0000032900000000, -0.0003479900000000 ] - [ -0.0013374400000000, -0.0000024100000000, -0.0008080500000000 ] - [ 0.0003115400000000, -0.0005411900000000, -0.0003657700000000 ] - [ 0.0033193200000000, -0.0044916600000000, 0.0012285600000000 ] - [ -0.0008476500000000, -0.0002838800000000, -0.0003330300000000 ] - [ 0.0005075100000000, 0.0000078000000000, 0.0001932600000000 ] - [ -0.0006643500000000, -0.0000025400000000, -0.0001631200000000 ] - [ -0.0010966900000000, -0.0000430600000000, 0.0002081200000000 ] - [ 0.0009877300000000, -0.0008033600000000, 0.0000164000000000 ] - [ -0.0011339700000000, 0.0000289100000000, 0.0000005200000000 ] - [ 0.0001355800000000, -0.0001649300000000, -0.0000661900000000 ] - [ 0.0008659000000000, 0.0000009400000000, 0.0000472200000000 ] - [ 0.0006049900000000, -0.0000017300000000, 0.0002726800000000 ] - [ 0.0002184100000000, -0.0001029100000000, 0.0000985000000000 ] - [ 0.0006007000000000, 0.0000008300000000, 0.0003148900000000 ] - [ -0.1684388200000000, -0.4083670900000000, -0.0593932500000000 ] - [ 0.0002230400000000, 0.0000980400000000, 0.0001028300000000 ] - [ 0.0001402300000000, 0.1231242100000000, -0.0063470300000000 ] - [ 0.0015528400000000, 0.0007751200000000, -0.0023953900000000 ] - [ 0.0000618000000000, 0.0000697900000000, 0.0000074300000000 ] - [ 0.0002443700000000, -0.0003402100000000, 0.0001272200000000 ] - [ -0.0002520000000000, -0.0000403200000000, -0.0002946200000000 ] - [ -0.0007247300000000, 0.0010056400000000, -0.0011808300000000 ] - [ 0.0010035400000000, -0.0001573100000000, 0.0005156300000000 ] - [ -0.0002836500000000, 0.0000984500000000, 0.0001591000000000 ] - [ 0.0007581300000000, 0.0012022300000000, 0.0005700300000000 ] - [ -0.0002389200000000, 0.0000519900000000, -0.0003170800000000 ] - [ -0.0008155500000000, 0.0000289900000000, 0.0014942100000000 ] - [ 0.0011706500000000, -0.0000142000000000, 0.0001915500000000 ] - [ -0.0002788200000000, -0.0001209700000000, 0.0001569400000000 ] - [ -0.0005676500000000, 0.0000088400000000, -0.0002482200000000 ] - [ 0.0003765900000000, 0.0003122400000000, -0.0002001000000000 ] - [ 0.0002449600000000, 0.0003406000000000, 0.0001262300000000 ] - [ 0.0017876400000000, 0.0009382900000000, -0.0002092800000000 ] - [ -0.0003211100000000, -0.0001797500000000, 0.0003411900000000 ] - [ -0.0009930400000000, 0.0013692800000000, 0.0012627000000000 ] - [ 0.0054649400000000, 0.0019295900000000, 0.0000890600000000 ] - [ 0.0009967500000000, 0.0001518800000000, 0.0005090300000000 ] - [ 0.0008662300000000, 0.0001425100000000, 0.0000135900000000 ] - [ 0.0010414800000000, 0.0000842400000000, 0.0005603300000000 ] - [ 0.0003508200000000, 0.0000053300000000, -0.0000401600000000 ] - [ 0.0510359000000000, 0.0106545200000000, 0.0135358700000000 ] - [ -0.0002349000000000, 0.0000048200000000, 0.0002015600000000 ] - [ -0.0055341700000000, 0.0011323800000000, 0.0013066700000000 ] - [ -0.0019324300000000, 0.0006096700000000, -0.0011736200000000 ] - [ 0.0004345500000000, 0.0005887200000000, 0.0000496700000000 ] - [ -0.0014264700000000, 0.0019955800000000, -0.0023793700000000 ] - [ 0.0004344100000000, -0.0005874100000000, 0.0000479100000000 ] - [ 0.0007257600000000, 0.0000596800000000, 0.0003011500000000 ] - [ 0.0003496800000000, -0.0000057600000000, -0.0000382500000000 ] - [ -0.0003283000000000, 0.0001620500000000, -0.0001253500000000 ] - [ 0.0008836100000000, 0.0012366300000000, 0.0006620500000000 ] - [ 0.0002654900000000, -0.0000002500000000, -0.0000575800000000 ] - [ 0.0005622600000000, 0.0000270500000000, 0.0001799900000000 ] - [ 0.0006018200000000, -0.0000207200000000, 0.0001109800000000 ] - [ -0.0004089300000000, -0.0000147500000000, -0.0002758800000000 ] - [ 0.0005830200000000, -0.0008385300000000, 0.0004695800000000 ] - [ 0.0003504100000000, 0.0000007100000000, 0.0000255100000000 ] - [ 0.0010628300000000, -0.0000058400000000, 0.0004499800000000 ] - [ 0.0006017400000000, 0.0000212600000000, 0.0001108000000000 ] - [ 0.0004747500000000, 0.0000000900000000, -0.0001152400000000 ] - [ 0.0011949100000000, 0.0000004700000000, 0.0004144200000000 ] - [ -0.0000829800000000, 0.0005408600000000, 0.0005329500000000 ] - [ 0.0009195600000000, -0.0001431100000000, 0.0000180500000000 ] - [ -0.0004092900000000, 0.0000135600000000, -0.0002757500000000 ] - [ 0.0007261000000000, -0.0000605800000000, 0.0003017500000000 ] - [ 0.0001537200000000, 0.0000070700000000, -0.0002494700000000 ] - [ 0.0005646400000000, -0.0000258500000000, 0.0001781500000000 ] - [ -0.0015615600000000, -0.0006253800000000, 0.0028464200000000 ] - [ -0.0000634600000000, 0.0000025500000000, 0.0007271700000000 ] - [ 0.0002424700000000, -0.0000002900000000, 0.0002977200000000 ] - [ 0.0001629600000000, 0.0000019300000000, -0.0001488700000000 ] - [ 0.0003004200000000, -0.0000001800000000, -0.0001840200000000 ] - [ 0.0003850200000000, -0.0000001500000000, 0.0002316700000000 ] - [ -0.0005659500000000, 0.0000432900000000, 0.0002088800000000 ] - [ -0.0003206900000000, -0.0000416200000000, -0.0014698600000000 ]- atom: 48 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002149300000000, -0.0000260900000000, 0.0015377000000000 ] - [ 0.0006035100000000, -0.0000007500000000, 0.0001130800000000 ] - [ 0.0010954300000000, 0.0000228200000000, 0.0001551700000000 ] - [ 0.0004755200000000, -0.0061060100000000, -0.0010858500000000 ] - [ 0.0004212000000000, 0.0000051000000000, 0.0000418000000000 ] - [ 0.0005432300000000, 0.0000006300000000, 0.0000244000000000 ] - [ 0.0002535100000000, -0.0000006900000000, 0.0002708200000000 ] - [ -0.0016603600000000, -0.0001801300000000, 0.0002172200000000 ] - [ 0.0000335500000000, 0.0000104800000000, -0.0007837200000000 ] - [ 0.0007941600000000, -0.0000015300000000, 0.0000198000000000 ] - [ 0.0007351600000000, 0.0000027100000000, 0.0010198300000000 ] - [ -0.0028131900000000, 0.0033964200000000, 0.0026777500000000 ] - [ -0.0009776300000000, -0.0004694500000000, 0.0001235700000000 ] - [ 0.0010578200000000, -0.0000401700000000, 0.0000665900000000 ] - [ -0.0037079500000000, 0.0065615200000000, -0.0121122700000000 ] - [ 0.0007725600000000, 0.0000000400000000, 0.0010329900000000 ] - [ 0.0011231000000000, 0.0000027000000000, -0.0001859000000000 ] - [ 0.0059370800000000, -0.0007310700000000, -0.0058365900000000 ] - [ 0.0010126600000000, 0.0000000300000000, -0.0008119300000000 ] - [ -0.0007794700000000, -0.0000676000000000, 0.0013317200000000 ] - [ -0.0007519500000000, -0.0000178100000000, -0.0000397200000000 ] - [ -0.1048717800000000, -0.2555549000000000, -0.0320550500000000 ] - [ 0.0000783300000000, -0.0000928300000000, -0.0002338200000000 ] - [ -0.0005405100000000, 0.0038304100000000, -0.0010099300000000 ] - [ 0.0015180200000000, -0.0000025400000000, 0.0004439800000000 ] - [ 0.0006612500000000, -0.0000153000000000, 0.0002367600000000 ] - [ 0.0003058100000000, 0.0000237700000000, 0.0001346500000000 ] - [ 0.0001586600000000, 0.0003378600000000, 0.0001710500000000 ] - [ -0.0003076400000000, 0.0000000100000000, -0.0001013900000000 ] - [ 0.0041565300000000, -0.0011548800000000, -0.0000867800000000 ] - [ 0.0006373800000000, -0.0000000900000000, 0.0001887100000000 ] - [ -0.0001705100000000, 0.0000004600000000, -0.0000223400000000 ] - [ 0.0001498500000000, 0.0000069900000000, -0.0001938000000000 ] - [ 0.0002687000000000, 0.0000037700000000, -0.0000961100000000 ] - [ 0.0015318700000000, 0.0005303600000000, 0.0008785700000000 ] - [ -0.0034940300000000, 0.0044523800000000, -0.0012379800000000 ] - [ 0.0018830600000000, 0.0002984100000000, 0.0012243100000000 ] - [ 0.0013880800000000, 0.0000050000000000, 0.0004542200000000 ] - [ -0.0012197300000000, 0.0000027800000000, -0.0004804300000000 ] - [ 0.0014567600000000, 0.0000216200000000, 0.0003341800000000 ] - [ -0.0011318500000000, 0.0008145800000000, 0.0003415100000000 ] - [ 0.0000730200000000, -0.0000269600000000, -0.0004012600000000 ] - [ 0.0000093100000000, 0.0001588000000000, -0.0002866600000000 ] - [ -0.0005128000000000, -0.0000017100000000, 0.0000326000000000 ] - [ -0.0003848300000000, 0.0000013300000000, -0.0000506700000000 ] - [ -0.0007043900000000, 0.0000366100000000, -0.0000898300000000 ] - [ -0.0006996700000000, -0.0000022000000000, 0.0002139100000000 ] - [ 0.1558443200000000, 0.3879933600000000, 0.0560263100000000 ] - [ -0.0007086800000000, -0.0000339200000000, -0.0000932500000000 ] - [ 0.0000238200000000, -0.1213046600000000, 0.0063539600000000 ] - [ -0.0008607900000000, -0.0009503800000000, 0.0025729700000000 ] - [ 0.0000816700000000, -0.0000671900000000, -0.0003587300000000 ] - [ -0.0002885800000000, -0.0005916900000000, -0.0001364400000000 ] - [ -0.0004224600000000, 0.0002546500000000, 0.0000857700000000 ] - [ 0.0005303200000000, -0.0010225200000000, 0.0010308700000000 ] - [ 0.0003102700000000, 0.0000457300000000, 0.0000153700000000 ] - [ 0.0007678700000000, -0.0000314600000000, -0.0001688200000000 ] - [ -0.0020821700000000, -0.0011257900000000, -0.0011124300000000 ] - [ -0.0004358900000000, -0.0002656600000000, 0.0001059300000000 ] - [ 0.0004522500000000, -0.0000309100000000, -0.0015695700000000 ] - [ 0.0007329600000000, 0.0000141300000000, 0.0000972900000000 ] - [ 0.0007629500000000, 0.0000521800000000, -0.0001673300000000 ] - [ 0.0006644400000000, -0.0000092800000000, -0.0002826000000000 ] - [ 0.0007154600000000, -0.0003107100000000, 0.0005880700000000 ] - [ -0.0002895100000000, 0.0005921900000000, -0.0001357600000000 ] - [ -0.0019307600000000, -0.0009550600000000, 0.0005728600000000 ] - [ -0.0010026900000000, 0.0000873300000000, -0.0008788700000000 ] - [ 0.0016480100000000, -0.0011463800000000, -0.0010455000000000 ] - [ -0.0074566600000000, -0.0019080800000000, -0.0003764400000000 ] - [ 0.0003176300000000, -0.0000415100000000, 0.0000205200000000 ] - [ -0.0010053900000000, -0.0001417300000000, 0.0003362200000000 ] - [ -0.0021305400000000, -0.0000861600000000, -0.0009523400000000 ] - [ -0.0002045800000000, -0.0000059200000000, -0.0003084900000000 ] - [ -0.0504310900000000, -0.0110001400000000, -0.0133843900000000 ] - [ 0.0004579100000000, -0.0000049100000000, 0.0000236000000000 ] - [ 0.0050399100000000, -0.0011583800000000, -0.0012904500000000 ] - [ 0.0018328100000000, -0.0006043300000000, 0.0016990800000000 ] - [ -0.0003819700000000, 0.0003476100000000, -0.0000385700000000 ] - [ 0.0009686000000000, -0.0019249100000000, 0.0023806400000000 ] - [ -0.0003813000000000, -0.0003494100000000, -0.0000387200000000 ] - [ -0.0000423500000000, -0.0002684300000000, -0.0000858900000000 ] - [ -0.0002035300000000, 0.0000079600000000, -0.0003085300000000 ] - [ 0.0002812600000000, -0.0011032200000000, 0.0001225000000000 ] - [ -0.0015646900000000, -0.0010323300000000, -0.0008759700000000 ] - [ -0.0004805100000000, -0.0000005900000000, -0.0001631100000000 ] - [ 0.0007539600000000, -0.0001379600000000, 0.0003512100000000 ] - [ -0.0001102300000000, 0.0000855400000000, -0.0001183800000000 ] - [ -0.0009042400000000, 0.0001256400000000, -0.0002573000000000 ] - [ -0.0012588300000000, 0.0006279400000000, -0.0006831700000000 ] - [ -0.0006941600000000, -0.0000003100000000, -0.0001041200000000 ] - [ 0.0008448600000000, 0.0000063300000000, -0.0001547200000000 ] - [ -0.0001097400000000, -0.0000866700000000, -0.0001192400000000 ] - [ -0.0003682200000000, -0.0000003000000000, -0.0004093600000000 ] - [ -0.0000976600000000, -0.0000007500000000, -0.0000202800000000 ] - [ 0.0000349400000000, 0.0003994700000000, -0.0005341000000000 ] - [ -0.0010585300000000, 0.0001371700000000, 0.0003292200000000 ] - [ -0.0009036000000000, -0.0001268200000000, -0.0002573200000000 ] - [ -0.0000428800000000, 0.0002684200000000, -0.0000861800000000 ] - [ -0.0020483100000000, -0.0000089500000000, -0.0000428700000000 ] - [ 0.0007515300000000, 0.0001356400000000, 0.0003518400000000 ] - [ 0.0017031000000000, 0.0006303300000000, -0.0032180800000000 ] - [ 0.0004681500000000, -0.0000030700000000, -0.0003916200000000 ] - [ -0.0003553300000000, 0.0000000500000000, 0.0000083200000000 ] - [ -0.0005659000000000, -0.0000022600000000, -0.0001906100000000 ] - [ -0.0001836700000000, -0.0000006200000000, -0.0001254800000000 ] - [ 0.0000214500000000, -0.0000002600000000, 0.0001105200000000 ] - [ 0.0004551700000000, -0.0000434400000000, 0.0000941300000000 ] - [ -0.0000819000000000, 0.0000405300000000, 0.0011229800000000 ]- atom: 48 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0004628500000000, 0.0000399600000000, -0.0034840700000000 ] - [ -0.0004672600000000, 0.0000000100000000, -0.0001107400000000 ] - [ -0.0020961900000000, -0.0000111200000000, 0.0000264700000000 ] - [ 0.0002173400000000, 0.0007661000000000, 0.0048364100000000 ] - [ 0.0010772900000000, 0.0000058600000000, -0.0006065400000000 ] - [ -0.0000810700000000, -0.0000007200000000, 0.0000362200000000 ] - [ -0.0001795900000000, -0.0000005500000000, -0.0001311500000000 ] - [ 0.0024721200000000, 0.0001743100000000, -0.0026077800000000 ] - [ 0.0007294500000000, -0.0000079700000000, -0.0002752000000000 ] - [ -0.0005922100000000, 0.0000029700000000, 0.0002927300000000 ] - [ -0.0008109900000000, 0.0000289800000000, -0.0003263600000000 ] - [ -0.0007461800000000, 0.0010243900000000, 0.0008719500000000 ] - [ 0.0015677600000000, -0.0005222000000000, -0.0056876700000000 ] - [ -0.0010703600000000, -0.0000065600000000, 0.0015675800000000 ] - [ 0.0009928300000000, 0.0025942100000000, 0.0145596000000000 ] - [ -0.0003304600000000, -0.0000011000000000, -0.0004375800000000 ] - [ -0.0001651400000000, 0.0000007700000000, -0.0007609800000000 ] - [ -0.0017303700000000, 0.0007880300000000, 0.0060087700000000 ] - [ -0.0004616600000000, -0.0000017800000000, -0.0004123900000000 ] - [ 0.0002577800000000, -0.0000618700000000, -0.0020039900000000 ] - [ -0.0001347700000000, -0.0000108500000000, -0.0005316300000000 ] - [ 0.0067125600000000, 0.0150320500000000, 0.0820145100000000 ] - [ 0.0002679500000000, -0.0000966000000000, -0.0002779800000000 ] - [ 0.0028643800000000, 0.0043011300000000, 0.0013912600000000 ] - [ 0.0007351000000000, 0.0000046800000000, 0.0001843800000000 ] - [ -0.0005237100000000, -0.0000031400000000, -0.0001480700000000 ] - [ 0.0018180300000000, -0.0000085200000000, 0.0012045300000000 ] - [ -0.0052140100000000, -0.0004908400000000, -0.0013572700000000 ] - [ -0.0018249900000000, 0.0000142500000000, -0.0006393600000000 ] - [ -0.0033851700000000, 0.0000849400000000, 0.0002347100000000 ] - [ -0.0003198400000000, 0.0000022000000000, -0.0001375100000000 ] - [ -0.0011216700000000, 0.0000016300000000, -0.0003052900000000 ] - [ -0.0007555400000000, 0.0000042700000000, -0.0003197900000000 ] - [ -0.0009925800000000, 0.0000026600000000, -0.0006597700000000 ] - [ -0.0004525700000000, 0.0005074600000000, -0.0003032800000000 ] - [ 0.0046452100000000, -0.0043863600000000, 0.0023138100000000 ] - [ -0.0005187500000000, -0.0002894000000000, 0.0000477100000000 ] - [ 0.0008348600000000, 0.0000067300000000, 0.0002867000000000 ] - [ -0.0009571900000000, 0.0000058600000000, -0.0003415100000000 ] - [ -0.0000732000000000, -0.0000715200000000, 0.0002644100000000 ] - [ 0.0008639400000000, -0.0006005700000000, -0.0003703800000000 ] - [ -0.0020206500000000, -0.0000838800000000, -0.0000273000000000 ] - [ -0.0003409800000000, -0.0000476500000000, 0.0006118800000000 ] - [ 0.0003844600000000, -0.0000000900000000, -0.0000485000000000 ] - [ 0.0007803200000000, -0.0000031800000000, 0.0003907600000000 ] - [ -0.0000054200000000, -0.0000912500000000, 0.0000226600000000 ] - [ 0.0004492500000000, -0.0000007700000000, 0.0000525600000000 ] - [ -0.0293065400000000, -0.0421884400000000, -0.0693520000000000 ] - [ -0.0000053000000000, 0.0000906700000000, 0.0000227300000000 ] - [ -0.0000703200000000, 0.0055694500000000, -0.0299297400000000 ] - [ -0.0038396200000000, -0.0025053400000000, 0.0051822200000000 ] - [ -0.0002620100000000, 0.0001494700000000, 0.0005334700000000 ] - [ -0.0000421100000000, -0.0003580600000000, 0.0002193100000000 ] - [ -0.0007069800000000, -0.0002985000000000, -0.0005804200000000 ] - [ 0.0026406800000000, -0.0005661900000000, 0.0064886200000000 ] - [ 0.0011966600000000, -0.0001754100000000, 0.0007468800000000 ] - [ 0.0002157100000000, -0.0000684200000000, 0.0008388300000000 ] - [ 0.0031284800000000, -0.0002910900000000, 0.0012872600000000 ] - [ -0.0007074800000000, 0.0002892700000000, -0.0005526400000000 ] - [ 0.0002654000000000, -0.0000471000000000, 0.0012952800000000 ] - [ 0.0004752200000000, 0.0000155900000000, 0.0003778300000000 ] - [ 0.0002014700000000, 0.0000673700000000, 0.0008289500000000 ] - [ -0.0001208100000000, -0.0000134600000000, 0.0008168800000000 ] - [ -0.0015809300000000, -0.0004598800000000, -0.0009169100000000 ] - [ -0.0000411800000000, 0.0003578500000000, 0.0002189200000000 ] - [ 0.0010120600000000, 0.0009527600000000, -0.0006526800000000 ] - [ 0.0019719600000000, 0.0009914500000000, 0.0009468100000000 ] - [ -0.0000417900000000, -0.0011946500000000, 0.0004461100000000 ] - [ 0.0041954000000000, 0.0009566500000000, -0.0031959900000000 ] - [ 0.0011861500000000, 0.0001638600000000, 0.0007394400000000 ] - [ 0.0000650000000000, 0.0001137500000000, -0.0000468000000000 ] - [ 0.0003849300000000, 0.0000639200000000, 0.0001893200000000 ] - [ 0.0004039600000000, -0.0000669800000000, -0.0000491900000000 ] - [ 0.0271178900000000, 0.0158562600000000, -0.0188845000000000 ] - [ -0.0001799400000000, -0.0000046100000000, 0.0006811600000000 ] - [ -0.0074859400000000, 0.0022698900000000, 0.0021906200000000 ] - [ -0.0033855200000000, 0.0006666600000000, -0.0016639900000000 ] - [ 0.0001561600000000, 0.0004755700000000, -0.0000539900000000 ] - [ -0.0024379000000000, 0.0019349700000000, -0.0018016100000000 ] - [ 0.0001559200000000, -0.0004752700000000, -0.0000546400000000 ] - [ 0.0005363900000000, 0.0000021000000000, 0.0002019700000000 ] - [ 0.0004063800000000, 0.0000658200000000, -0.0000473400000000 ] - [ 0.0009710800000000, -0.0005668400000000, 0.0014516600000000 ] - [ 0.0009220100000000, 0.0002833500000000, -0.0005351800000000 ] - [ 0.0000270300000000, -0.0000007000000000, -0.0001259700000000 ] - [ 0.0006775700000000, -0.0000359300000000, 0.0004343700000000 ] - [ 0.0004884200000000, -0.0000088900000000, 0.0001276900000000 ] - [ -0.0006326600000000, 0.0000008200000000, -0.0002312600000000 ] - [ 0.0006091400000000, -0.0000534500000000, -0.0006142800000000 ] - [ -0.0000010600000000, 0.0000002000000000, -0.0000321800000000 ] - [ 0.0013704600000000, 0.0000053500000000, 0.0004103700000000 ] - [ 0.0004883700000000, 0.0000088100000000, 0.0001274800000000 ] - [ 0.0003471200000000, 0.0000001900000000, -0.0001396700000000 ] - [ 0.0010052300000000, 0.0000012600000000, 0.0001892400000000 ] - [ 0.0007668700000000, -0.0000724200000000, 0.0008410200000000 ] - [ 0.0001895700000000, -0.0001070000000000, -0.0000419500000000 ] - [ -0.0006344100000000, -0.0000046800000000, -0.0002308000000000 ] - [ 0.0005361000000000, -0.0000021600000000, 0.0002006800000000 ] - [ -0.0007303100000000, 0.0000179900000000, -0.0002239400000000 ] - [ 0.0006747400000000, 0.0000306400000000, 0.0004331800000000 ] - [ -0.0015512700000000, -0.0004406300000000, 0.0037798600000000 ] - [ -0.0002609200000000, -0.0000020600000000, 0.0023208900000000 ] - [ 0.0002683300000000, -0.0000007200000000, 0.0004155900000000 ] - [ 0.0002161500000000, 0.0000048200000000, -0.0004149000000000 ] - [ 0.0002047600000000, -0.0000002600000000, -0.0001350100000000 ] - [ 0.0003226800000000, -0.0000000800000000, 0.0002934200000000 ] - [ -0.0008411600000000, 0.0000392500000000, 0.0010908800000000 ] - [ -0.0007705700000000, -0.0000317900000000, -0.0007688800000000 ]- atom: 48 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0004294300000000, -0.0000414000000000, 0.0038394500000000 ] - [ 0.0004765000000000, -0.0000001300000000, 0.0001090200000000 ] - [ 0.0021587600000000, 0.0000119000000000, -0.0003562900000000 ] - [ -0.0005924000000000, -0.0007643200000000, -0.0048173600000000 ] - [ -0.0007904200000000, -0.0000048800000000, 0.0005989200000000 ] - [ 0.0000881100000000, 0.0000000000000000, -0.0000327300000000 ] - [ 0.0001463000000000, -0.0000007700000000, 0.0004470500000000 ] - [ -0.0025058900000000, -0.0001764700000000, 0.0026176600000000 ] - [ -0.0007018100000000, 0.0000074500000000, -0.0000515400000000 ] - [ 0.0003146500000000, -0.0000036700000000, -0.0002769700000000 ] - [ 0.0011123500000000, -0.0000302700000000, 0.0003259500000000 ] - [ 0.0008320300000000, -0.0010758500000000, -0.0006708800000000 ] - [ -0.0008890100000000, 0.0005247600000000, 0.0047365300000000 ] - [ 0.0003798600000000, -0.0000006000000000, -0.0006036400000000 ] - [ -0.0012256200000000, -0.0029795100000000, -0.0164794200000000 ] - [ 0.0004273000000000, 0.0000002600000000, 0.0016633600000000 ] - [ 0.0008778000000000, 0.0000035200000000, -0.0002008900000000 ] - [ 0.0011075900000000, -0.0007984900000000, -0.0051373700000000 ] - [ 0.0003850900000000, 0.0000002500000000, -0.0007990000000000 ] - [ -0.0001857700000000, 0.0000600300000000, 0.0032405500000000 ] - [ 0.0002672400000000, 0.0000079200000000, 0.0005425400000000 ] - [ -0.0093623000000000, -0.0165205000000000, -0.0829684400000000 ] - [ -0.0006295300000000, 0.0000956700000000, -0.0002634000000000 ] - [ -0.0039018600000000, -0.0042582900000000, -0.0022547900000000 ] - [ 0.0011072900000000, 0.0000005700000000, 0.0003271500000000 ] - [ 0.0003854400000000, 0.0000007100000000, 0.0001413700000000 ] - [ -0.0007789600000000, -0.0000015900000000, -0.0003154600000000 ] - [ 0.0071723000000000, 0.0005127100000000, 0.0020031700000000 ] - [ -0.0000531100000000, -0.0000085600000000, -0.0000018600000000 ] - [ 0.0037730800000000, -0.0000924500000000, 0.0003104000000000 ] - [ 0.0004647100000000, -0.0000031000000000, 0.0001452400000000 ] - [ -0.0007022500000000, -0.0000026100000000, -0.0001986400000000 ] - [ 0.0003937100000000, 0.0000063100000000, -0.0002219300000000 ] - [ -0.0000678700000000, 0.0000087900000000, -0.0002408200000000 ] - [ 0.0022966000000000, -0.0005084200000000, 0.0008214300000000 ] - [ -0.0048159900000000, 0.0044323300000000, -0.0023565000000000 ] - [ 0.0015877700000000, 0.0002973400000000, 0.0008589300000000 ] - [ 0.0010831200000000, -0.0000017100000000, 0.0003675000000000 ] - [ -0.0009490600000000, 0.0000048400000000, -0.0003091700000000 ] - [ 0.0004465400000000, 0.0000687100000000, 0.0002792300000000 ] - [ -0.0010115000000000, 0.0006045700000000, 0.0007236700000000 ] - [ 0.0009322100000000, 0.0000817800000000, -0.0003669800000000 ] - [ 0.0004885000000000, 0.0000420000000000, -0.0009638700000000 ] - [ -0.0000444700000000, -0.0000004700000000, 0.0001256300000000 ] - [ -0.0005836000000000, 0.0000025400000000, -0.0001767900000000 ] - [ -0.0004923500000000, 0.0000325900000000, -0.0000179200000000 ] - [ -0.0005590000000000, 0.0000000500000000, 0.0004729700000000 ] - [ 0.0304844500000000, 0.0459213800000000, 0.0708055200000000 ] - [ -0.0004929000000000, -0.0000327000000000, -0.0000174300000000 ] - [ 0.0000783500000000, -0.0070978700000000, 0.0299434400000000 ] - [ 0.0044756100000000, 0.0022608000000000, -0.0048916200000000 ] - [ 0.0004103900000000, -0.0001436300000000, -0.0008854700000000 ] - [ -0.0000114800000000, -0.0005770500000000, -0.0002275400000000 ] - [ 0.0000229000000000, 0.0005050300000000, 0.0003655200000000 ] - [ -0.0028829300000000, 0.0005898600000000, -0.0068396400000000 ] - [ 0.0001089300000000, 0.0000636500000000, -0.0002189000000000 ] - [ 0.0002836400000000, 0.0001299100000000, -0.0008471900000000 ] - [ -0.0044847500000000, 0.0004019700000000, -0.0018336500000000 ] - [ 0.0000230000000000, -0.0004974000000000, 0.0003390700000000 ] - [ -0.0005993700000000, 0.0000458400000000, -0.0013934800000000 ] - [ 0.0014161400000000, -0.0000150100000000, -0.0000878100000000 ] - [ 0.0002977200000000, -0.0001292400000000, -0.0008376900000000 ] - [ 0.0002359500000000, 0.0000133300000000, -0.0013411800000000 ] - [ 0.0026690500000000, 0.0004541800000000, 0.0013024500000000 ] - [ -0.0000119900000000, 0.0005764400000000, -0.0002272700000000 ] - [ -0.0011614400000000, -0.0009557100000000, 0.0010008100000000 ] - [ -0.0033094400000000, -0.0011135600000000, -0.0014837700000000 ] - [ 0.0007448800000000, 0.0013830300000000, -0.0002456200000000 ] - [ -0.0061078300000000, -0.0009639800000000, 0.0029299200000000 ] - [ 0.0001184200000000, -0.0000563200000000, -0.0002133600000000 ] - [ -0.0002273100000000, -0.0001047300000000, 0.0003995500000000 ] - [ -0.0015018000000000, -0.0000659000000000, -0.0005939100000000 ] - [ -0.0002575500000000, 0.0000590600000000, -0.0003040700000000 ] - [ -0.0269777800000000, -0.0160924700000000, 0.0186113200000000 ] - [ 0.0003923000000000, 0.0000042600000000, -0.0004656400000000 ] - [ 0.0071057800000000, -0.0023674200000000, -0.0022212100000000 ] - [ 0.0033090300000000, -0.0006748200000000, 0.0022134000000000 ] - [ -0.0001139100000000, 0.0004538700000000, 0.0000618300000000 ] - [ 0.0019663200000000, -0.0018971100000000, 0.0018430300000000 ] - [ -0.0001134900000000, -0.0004551400000000, 0.0000622500000000 ] - [ 0.0001378300000000, -0.0002117700000000, 0.0000121500000000 ] - [ -0.0002598800000000, -0.0000559000000000, -0.0003038400000000 ] - [ -0.0010140700000000, -0.0003707900000000, -0.0014572800000000 ] - [ -0.0016248100000000, -0.0000917900000000, 0.0003099200000000 ] - [ -0.0002391800000000, 0.0000000600000000, -0.0000921000000000 ] - [ 0.0006336600000000, -0.0000766500000000, 0.0000977500000000 ] - [ -0.0000018300000000, 0.0000699700000000, -0.0001367000000000 ] - [ -0.0006827000000000, 0.0001097700000000, -0.0003014800000000 ] - [ -0.0013064000000000, -0.0001465800000000, 0.0003915800000000 ] - [ -0.0003522300000000, 0.0000000700000000, -0.0000435600000000 ] - [ 0.0005219400000000, -0.0000045100000000, -0.0001228600000000 ] - [ -0.0000013800000000, -0.0000702300000000, -0.0001373300000000 ] - [ -0.0002487100000000, -0.0000001800000000, -0.0003890900000000 ] - [ 0.0000774300000000, -0.0000002500000000, 0.0002009900000000 ] - [ -0.0008144300000000, 0.0010007300000000, -0.0008547800000000 ] - [ -0.0003509600000000, 0.0000966900000000, 0.0003934400000000 ] - [ -0.0006821100000000, -0.0001098000000000, -0.0003015000000000 ] - [ 0.0001379300000000, 0.0002134100000000, 0.0000116300000000 ] - [ -0.0011781400000000, -0.0000188800000000, -0.0000645500000000 ] - [ 0.0006353200000000, 0.0000777200000000, 0.0000969200000000 ] - [ 0.0016902100000000, 0.0004434500000000, -0.0041198100000000 ] - [ 0.0006777600000000, 0.0000017000000000, -0.0019918900000000 ] - [ -0.0003935000000000, 0.0000006900000000, -0.0001136700000000 ] - [ -0.0006335500000000, -0.0000051200000000, 0.0000735200000000 ] - [ -0.0000865100000000, -0.0000002400000000, -0.0001730100000000 ] - [ 0.0000876900000000, 0.0000000900000000, 0.0000444800000000 ] - [ 0.0007299600000000, -0.0000397200000000, -0.0007877600000000 ] - [ 0.0003602600000000, 0.0000319900000000, 0.0004421100000000 ]- atom: 51 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0024817900000000, -0.0001045800000000, 0.0006717500000000 ] - [ -0.0010625800000000, 0.0000003600000000, -0.0003545400000000 ] - [ 0.0004038300000000, -0.0000146500000000, -0.0014298500000000 ] - [ 0.0091075000000000, -0.0021902100000000, -0.0009219200000000 ] - [ -0.0053814700000000, 0.0000216700000000, 0.0044288000000000 ] - [ -0.0019959500000000, -0.0000007700000000, 0.0000298500000000 ] - [ -0.0014064400000000, 0.0000000800000000, -0.0002330200000000 ] - [ 0.0008317300000000, -0.0000159700000000, -0.0007809200000000 ] - [ -0.0008980900000000, 0.0000002100000000, -0.0004382300000000 ] - [ -0.0018608600000000, -0.0000015400000000, 0.0001483800000000 ] - [ -0.0020888800000000, 0.0000350800000000, -0.0001369400000000 ] - [ -0.0016294900000000, 0.0020647900000000, 0.0025682000000000 ] - [ 0.0102650400000000, -0.0024226700000000, -0.0016599800000000 ] - [ -0.0028312500000000, 0.0000312400000000, -0.0014862400000000 ] - [ 0.0046540700000000, 0.0003575500000000, -0.0000144800000000 ] - [ -0.0012779700000000, 0.0000078100000000, 0.0016587800000000 ] - [ -0.0021146400000000, 0.0000028900000000, -0.0004372900000000 ] - [ -0.0016221800000000, 0.0000736900000000, 0.0024158900000000 ] - [ -0.0022494400000000, 0.0000010400000000, -0.0009625800000000 ] - [ -0.0013347700000000, -0.0000222400000000, -0.0019630700000000 ] - [ 0.0000222900000000, 0.0005592800000000, -0.0006222300000000 ] - [ 0.0018316600000000, -0.0033101200000000, 0.0010625900000000 ] - [ 0.0002508500000000, 0.0019959200000000, -0.0002457600000000 ] - [ 0.1426541900000000, 0.0967571500000000, 0.0292840700000000 ] - [ -0.0011056000000000, 0.0000004100000000, -0.0003443600000000 ] - [ -0.0016020300000000, 0.0000020200000000, -0.0005320900000000 ] - [ -0.0034556400000000, -0.0000559800000000, -0.0013326500000000 ] - [ 0.0032079700000000, -0.0000046900000000, 0.0008319700000000 ] - [ -0.0009429200000000, -0.0000335700000000, -0.0002941400000000 ] - [ 0.0006700400000000, 0.0003668900000000, -0.0009949200000000 ] - [ -0.0013039600000000, -0.0000016300000000, -0.0004292300000000 ] - [ -0.0029680200000000, -0.0000051500000000, -0.0008990100000000 ] - [ -0.0024503900000000, 0.0000067300000000, -0.0003722700000000 ] - [ -0.0022672500000000, -0.0000006400000000, -0.0012042000000000 ] - [ -0.0040443600000000, 0.0013129300000000, -0.0011651700000000 ] - [ 0.0002989400000000, 0.0000845900000000, 0.0002211000000000 ] - [ -0.0016846200000000, -0.0005188500000000, -0.0004744900000000 ] - [ -0.0003180600000000, 0.0000002800000000, -0.0000850300000000 ] - [ -0.0021350200000000, 0.0000035000000000, -0.0007219700000000 ] - [ -0.0016270700000000, 0.0000108900000000, 0.0001896200000000 ] - [ 0.0000895600000000, 0.0001642200000000, 0.0010531100000000 ] - [ 0.0028836600000000, 0.0003626600000000, 0.0004087300000000 ] - [ -0.0000925100000000, -0.0015366000000000, -0.0034500900000000 ] - [ 0.0019965500000000, 0.0000005400000000, 0.0003078200000000 ] - [ 0.0002349000000000, 0.0000060700000000, -0.0000588000000000 ] - [ 0.0007345000000000, -0.0001597700000000, 0.0003312300000000 ] - [ 0.0009628300000000, 0.0000015800000000, 0.0009431200000000 ] - [ -0.0012154000000000, 0.0016685700000000, -0.0042754600000000 ] - [ 0.0007357900000000, 0.0001589100000000, 0.0003329600000000 ] - [ -0.0032749800000000, 0.0008571700000000, -0.0006627300000000 ] - [ -0.1777603000000000, -0.1534728900000000, -0.0652829900000000 ] - [ -0.0022202100000000, -0.0002280800000000, -0.0012560900000000 ] - [ 0.0012358800000000, -0.0003803000000000, -0.0002666100000000 ] - [ 0.0014803100000000, 0.0010052800000000, 0.0008359700000000 ] - [ -0.0017459100000000, 0.0000141900000000, -0.0006321600000000 ] - [ 0.0004481900000000, -0.0001804400000000, 0.0002260600000000 ] - [ 0.0000183800000000, -0.0001315800000000, 0.0002737000000000 ] - [ -0.0018973400000000, 0.0004111900000000, -0.0001976800000000 ] - [ 0.0014733600000000, -0.0009433100000000, 0.0007808500000000 ] - [ 0.0063165400000000, 0.0034680400000000, 0.0031934100000000 ] - [ 0.0008564300000000, -0.0003094300000000, -0.0004844900000000 ] - [ -0.0002169300000000, -0.0003123300000000, 0.0005735200000000 ] - [ -0.0015401500000000, -0.0005123600000000, 0.0019381200000000 ] - [ 0.0510884300000000, 0.0555065000000000, 0.0344478800000000 ] - [ 0.0012154300000000, 0.0003683600000000, -0.0002687600000000 ] - [ 0.0002072600000000, -0.0004671900000000, 0.0013651600000000 ] - [ -0.0018783200000000, -0.0004022200000000, -0.0001904900000000 ] - [ -0.0291474200000000, -0.0004217100000000, -0.0022265900000000 ] - [ -0.0033657400000000, -0.0001715100000000, 0.0028184400000000 ] - [ 0.0004681200000000, 0.0002029100000000, 0.0002128800000000 ] - [ 0.0008517400000000, -0.0002131600000000, 0.0001226700000000 ] - [ 0.0011364100000000, 0.0001062200000000, 0.0002736600000000 ] - [ 0.0012860400000000, -0.0002457100000000, -0.0000005000000000 ] - [ -0.0012103600000000, 0.0002540300000000, -0.0020356600000000 ] - [ 0.0008018500000000, 0.0000013000000000, 0.0008082100000000 ] - [ -0.0006978300000000, -0.0001996300000000, -0.0002727200000000 ] - [ -0.0001890000000000, -0.0000111500000000, -0.0001485700000000 ] - [ 0.0010332800000000, 0.0008522500000000, 0.0002879600000000 ] - [ -0.0007779800000000, 0.0001145500000000, -0.0002232400000000 ] - [ 0.0010340500000000, -0.0008537600000000, 0.0002881300000000 ] - [ 0.0012600400000000, 0.0002048700000000, 0.0003240500000000 ] - [ 0.0012914700000000, 0.0002427400000000, 0.0000012700000000 ] - [ 0.0027243500000000, 0.0007592500000000, 0.0015066900000000 ] - [ 0.0016781500000000, 0.0000739200000000, -0.0007302400000000 ] - [ 0.0008746200000000, 0.0000002100000000, 0.0001789900000000 ] - [ 0.0013883700000000, -0.0001777300000000, 0.0005629900000000 ] - [ 0.0010688400000000, -0.0001061500000000, 0.0001312600000000 ] - [ 0.0000753700000000, -0.0001110600000000, -0.0000416700000000 ] - [ 0.0009118400000000, 0.0000422400000000, -0.0005068900000000 ] - [ 0.0015567400000000, 0.0000015300000000, 0.0000957800000000 ] - [ 0.0029000800000000, 0.0000120900000000, 0.0002712600000000 ] - [ 0.0010684100000000, 0.0001046700000000, 0.0001313600000000 ] - [ 0.0011396100000000, 0.0000002500000000, -0.0000347200000000 ] - [ 0.0020896100000000, 0.0000019800000000, 0.0004390800000000 ] - [ 0.0018723900000000, -0.0004547300000000, 0.0011178200000000 ] - [ 0.0008384600000000, 0.0001956200000000, 0.0001373400000000 ] - [ 0.0000756900000000, 0.0001117900000000, -0.0000411900000000 ] - [ 0.0012602800000000, -0.0002041400000000, 0.0003235600000000 ] - [ 0.0006792100000000, -0.0000026800000000, -0.0002800500000000 ] - [ 0.0013880400000000, 0.0001780300000000, 0.0005638200000000 ] - [ -0.0007572600000000, -0.0000014000000000, 0.0001932200000000 ] - [ -0.0013537700000000, -0.0002262800000000, 0.0015688000000000 ] - [ 0.0002699600000000, -0.0000005500000000, 0.0001794900000000 ] - [ 0.0000325300000000, -0.0000044800000000, 0.0004195500000000 ] - [ 0.0006067200000000, -0.0000000200000000, -0.0000079300000000 ] - [ 0.0007490000000000, 0.0000002200000000, 0.0002328900000000 ] - [ -0.0000763400000000, -0.0000069700000000, 0.0007072200000000 ] - [ 0.0000074700000000, 0.0000016200000000, -0.0003081600000000 ]- atom: 51 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0025410400000000, 0.0001037400000000, -0.0003285600000000 ] - [ 0.0010568700000000, 0.0000004500000000, 0.0003546500000000 ] - [ -0.0003398300000000, 0.0000156700000000, 0.0011010900000000 ] - [ -0.0094460500000000, 0.0022413500000000, 0.0007777000000000 ] - [ 0.0056615000000000, -0.0000247300000000, -0.0044494700000000 ] - [ 0.0019887000000000, 0.0000004600000000, -0.0000313700000000 ] - [ 0.0013376200000000, 0.0000001000000000, 0.0005605400000000 ] - [ -0.0008250100000000, 0.0000154900000000, 0.0007881300000000 ] - [ 0.0009601100000000, 0.0000003500000000, 0.0001157800000000 ] - [ 0.0015629100000000, 0.0000018700000000, -0.0001408400000000 ] - [ 0.0023669300000000, -0.0000343000000000, 0.0001234000000000 ] - [ 0.0018737500000000, -0.0021502400000000, -0.0026444000000000 ] - [ -0.0094912500000000, 0.0023404800000000, 0.0006934100000000 ] - [ 0.0021249400000000, -0.0000398500000000, 0.0024649500000000 ] - [ -0.0047390700000000, -0.0003568600000000, -0.0011970300000000 ] - [ 0.0013739500000000, -0.0000055900000000, -0.0004395300000000 ] - [ 0.0028001800000000, 0.0000009400000000, -0.0005341700000000 ] - [ 0.0009207600000000, -0.0000729500000000, -0.0014225700000000 ] - [ 0.0021289300000000, -0.0000014500000000, -0.0002458200000000 ] - [ 0.0014444700000000, 0.0000246400000000, 0.0031615600000000 ] - [ 0.0001611500000000, -0.0005565600000000, 0.0006406800000000 ] - [ -0.0036218700000000, 0.0033032500000000, -0.0015566100000000 ] - [ -0.0006609800000000, -0.0019964400000000, -0.0002949400000000 ] - [ -0.1449227300000000, -0.1020119800000000, -0.0314679500000000 ] - [ 0.0029329500000000, 0.0000076600000000, 0.0008510000000000 ] - [ 0.0014442300000000, -0.0000058600000000, 0.0005190900000000 ] - [ 0.0044782300000000, 0.0000546800000000, 0.0022155600000000 ] - [ -0.0012923000000000, 0.0000114300000000, -0.0001782900000000 ] - [ -0.0009621200000000, 0.0000325200000000, -0.0003565100000000 ] - [ -0.0002806900000000, -0.0003680400000000, 0.0015437200000000 ] - [ 0.0014476600000000, 0.0000022000000000, 0.0004375000000000 ] - [ 0.0011297700000000, 0.0000025100000000, 0.0003896700000000 ] - [ 0.0020569000000000, -0.0000080100000000, -0.0001699400000000 ] - [ 0.0012072700000000, 0.0000064100000000, 0.0003029300000000 ] - [ 0.0058819300000000, -0.0013075800000000, 0.0016785400000000 ] - [ -0.0004526000000000, -0.0000798600000000, -0.0002318500000000 ] - [ 0.0026977300000000, 0.0005142200000000, 0.0013533100000000 ] - [ 0.0022175500000000, 0.0000062700000000, 0.0007344000000000 ] - [ 0.0002279300000000, 0.0000015500000000, 0.0000713300000000 ] - [ 0.0019851000000000, -0.0000173000000000, 0.0003513600000000 ] - [ -0.0002272400000000, -0.0001592800000000, -0.0007016600000000 ] - [ -0.0039684100000000, -0.0003689000000000, -0.0007960900000000 ] - [ 0.0002275600000000, 0.0015337400000000, 0.0031158700000000 ] - [ -0.0016424100000000, -0.0000004700000000, -0.0002311400000000 ] - [ -0.0000128100000000, -0.0000057500000000, 0.0002813300000000 ] - [ -0.0012204700000000, 0.0000941600000000, -0.0003235800000000 ] - [ -0.0010564500000000, -0.0000017900000000, -0.0004156900000000 ] - [ 0.0012367600000000, -0.0007382400000000, 0.0042534200000000 ] - [ -0.0012218900000000, -0.0000936800000000, -0.0003245400000000 ] - [ 0.0032920100000000, -0.0017833600000000, 0.0006668200000000 ] - [ 0.1803185300000000, 0.1591218100000000, 0.0678835700000000 ] - [ 0.0023785400000000, 0.0002349300000000, 0.0008981600000000 ] - [ -0.0012758500000000, -0.0005496100000000, 0.0002619200000000 ] - [ -0.0021543800000000, -0.0007955800000000, -0.0010498600000000 ] - [ 0.0015197900000000, -0.0000147700000000, 0.0004044700000000 ] - [ 0.0008706100000000, 0.0000664700000000, 0.0003057200000000 ] - [ 0.0004511600000000, 0.0001960700000000, -0.0002874300000000 ] - [ 0.0005782400000000, -0.0002974400000000, -0.0003378700000000 ] - [ -0.0021470900000000, 0.0007321500000000, -0.0009937100000000 ] - [ -0.0066242700000000, -0.0033928400000000, -0.0032240100000000 ] - [ 0.0010622800000000, 0.0003103900000000, 0.0007789100000000 ] - [ 0.0006864300000000, 0.0002416200000000, -0.0005807100000000 ] - [ 0.0016184400000000, 0.0005151800000000, -0.0024767700000000 ] - [ -0.0509281200000000, -0.0567192000000000, -0.0349669000000000 ] - [ -0.0012546500000000, 0.0005623700000000, 0.0002639900000000 ] - [ -0.0003446600000000, 0.0004586000000000, -0.0010159400000000 ] - [ 0.0005595000000000, 0.0002873500000000, -0.0003441000000000 ] - [ 0.0298519300000000, 0.0012879200000000, 0.0024600500000000 ] - [ 0.0014608200000000, 0.0001698700000000, -0.0031153600000000 ] - [ 0.0008489300000000, -0.0000915900000000, 0.0003173100000000 ] - [ -0.0009915600000000, 0.0002167500000000, 0.0002226000000000 ] - [ -0.0022166600000000, -0.0001045000000000, -0.0006604600000000 ] - [ -0.0011360800000000, 0.0002405300000000, -0.0003455800000000 ] - [ 0.0015383500000000, -0.0002566600000000, 0.0020922100000000 ] - [ -0.0005814900000000, -0.0000008600000000, -0.0005811400000000 ] - [ 0.0002043200000000, 0.0001337600000000, 0.0002747600000000 ] - [ 0.0000849600000000, 0.0000114000000000, 0.0006667500000000 ] - [ -0.0009830800000000, 0.0000830800000000, -0.0002809500000000 ] - [ 0.0002840300000000, -0.0000481500000000, 0.0002253800000000 ] - [ -0.0009831600000000, -0.0000821500000000, -0.0002814700000000 ] - [ -0.0005781100000000, -0.0004115700000000, -0.0001067700000000 ] - [ -0.0011428400000000, -0.0002399000000000, -0.0003462000000000 ] - [ -0.0027636900000000, -0.0016913300000000, -0.0014994000000000 ] - [ -0.0023301700000000, 0.0001298700000000, 0.0005060600000000 ] - [ -0.0010936600000000, -0.0000006500000000, -0.0004015400000000 ] - [ -0.0000740300000000, 0.0000686200000000, -0.0000295000000000 ] - [ -0.0005741700000000, 0.0001703100000000, -0.0001372300000000 ] - [ -0.0013876000000000, 0.0002205400000000, -0.0004905000000000 ] - [ -0.0015790900000000, -0.0002439000000000, 0.0002864300000000 ] - [ -0.0018943300000000, -0.0000010300000000, -0.0001703000000000 ] - [ -0.0009995100000000, -0.0000114100000000, 0.0000285200000000 ] - [ -0.0005741800000000, -0.0001700500000000, -0.0001378200000000 ] - [ -0.0010343600000000, 0.0000004400000000, -0.0004882900000000 ] - [ -0.0009860400000000, -0.0000007500000000, -0.0000453500000000 ] - [ -0.0019140500000000, 0.0013884100000000, -0.0011132800000000 ] - [ -0.0009794300000000, -0.0002031900000000, 0.0002067300000000 ] - [ -0.0013894800000000, -0.0002247000000000, -0.0004908300000000 ] - [ -0.0005776000000000, 0.0004106400000000, -0.0001066400000000 ] - [ -0.0025683200000000, 0.0000019600000000, -0.0000158100000000 ] - [ -0.0000742800000000, -0.0000707000000000, -0.0000320200000000 ] - [ 0.0008658800000000, 0.0000013800000000, -0.0005009000000000 ] - [ 0.0017549400000000, 0.0002218500000000, -0.0012267300000000 ] - [ -0.0003796700000000, 0.0000009000000000, 0.0001228400000000 ] - [ -0.0004351900000000, 0.0000046300000000, -0.0007616300000000 ] - [ -0.0004932500000000, -0.0000000200000000, -0.0002946400000000 ] - [ -0.0003430900000000, 0.0000000000000000, 0.0001097800000000 ] - [ -0.0000389100000000, 0.0000072900000000, -0.0004046500000000 ] - [ -0.0004127000000000, -0.0000015900000000, -0.0000391100000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014136200000000, 0.0001247400000000, -0.0006328900000000 ] - [ -0.0002674100000000, 0.0000005000000000, -0.0002252500000000 ] - [ 0.0003917500000000, 0.0000247400000000, -0.0009705700000000 ] - [ 0.0021536500000000, -0.0030682700000000, -0.0040999000000000 ] - [ -0.0035435300000000, 0.0006161200000000, 0.0040582400000000 ] - [ -0.0008312700000000, 0.0000022600000000, 0.0000662400000000 ] - [ -0.0006035900000000, 0.0000000500000000, 0.0000203200000000 ] - [ -0.0002575800000000, 0.0000107500000000, -0.0012534800000000 ] - [ -0.0004140600000000, -0.0000001900000000, -0.0005610000000000 ] - [ -0.0006276300000000, -0.0000003400000000, 0.0000205500000000 ] - [ -0.0006038000000000, 0.0000196200000000, 0.0003386200000000 ] - [ 0.0010918300000000, 0.0045680800000000, 0.0007524100000000 ] - [ 0.0033563500000000, -0.0057694600000000, 0.0140319500000000 ] - [ -0.0013399100000000, -0.0000405600000000, -0.0007654200000000 ] - [ 0.0016058500000000, 0.0003879600000000, -0.0017993600000000 ] - [ 0.0003669000000000, -0.0000004400000000, 0.0011511000000000 ] - [ -0.0005373500000000, 0.0000027800000000, -0.0002893900000000 ] - [ -0.0005694800000000, 0.0000013500000000, 0.0002689300000000 ] - [ -0.0008136800000000, 0.0000003000000000, -0.0008932900000000 ] - [ -0.0015189300000000, -0.0000694600000000, 0.0000998200000000 ] - [ 0.0007067900000000, -0.0001689900000000, 0.0000922300000000 ] - [ -0.0006724300000000, -0.0035163700000000, 0.0002767900000000 ] - [ 0.0031282900000000, -0.0031043900000000, 0.0000223700000000 ] - [ 0.0972201700000000, 0.2481261800000000, 0.0444563500000000 ] - [ 0.0000847900000000, -0.0000228500000000, 0.0000168000000000 ] - [ -0.0006469800000000, -0.0000028300000000, -0.0002194200000000 ] - [ -0.0012304300000000, 0.0000950200000000, -0.0003736200000000 ] - [ 0.0015894200000000, 0.0000151000000000, 0.0002946900000000 ] - [ -0.0005001500000000, 0.0000453100000000, -0.0001700600000000 ] - [ -0.0006000900000000, -0.0005153400000000, -0.0007508700000000 ] - [ -0.0003406500000000, -0.0000015300000000, -0.0001205700000000 ] - [ -0.0017211100000000, 0.0000000300000000, -0.0005103500000000 ] - [ -0.0011489200000000, 0.0000110300000000, -0.0002944600000000 ] - [ -0.0010599600000000, 0.0000030700000000, -0.0006716600000000 ] - [ -0.0022636800000000, 0.0015514200000000, -0.0005597900000000 ] - [ -0.0001926100000000, 0.0001041100000000, -0.0000966500000000 ] - [ 0.0004390700000000, -0.0000602600000000, 0.0004633300000000 ] - [ 0.0004750600000000, 0.0000033300000000, 0.0001668600000000 ] - [ -0.0017191700000000, 0.0000038800000000, -0.0005985400000000 ] - [ -0.0003712500000000, 0.0000052100000000, 0.0002476500000000 ] - [ 0.0001084700000000, 0.0001994700000000, 0.0008780900000000 ] - [ 0.0008777200000000, 0.0001146600000000, -0.0000429000000000 ] - [ -0.0039781600000000, 0.0008198900000000, 0.0012017900000000 ] - [ 0.0008925300000000, -0.0000002600000000, 0.0001636500000000 ] - [ -0.0001761600000000, -0.0000077400000000, -0.0000955200000000 ] - [ 0.0001215400000000, -0.0000772100000000, 0.0001668800000000 ] - [ 0.0002929900000000, -0.0000018200000000, 0.0006139900000000 ] - [ 0.0007706300000000, 0.0013094300000000, -0.0023068800000000 ] - [ 0.0001190300000000, 0.0000803400000000, 0.0001638800000000 ] - [ -0.0013142400000000, 0.0007848200000000, 0.0011821500000000 ] - [ -0.1499971100000000, -0.3846304400000000, -0.0733995100000000 ] - [ -0.0015863800000000, 0.0016198700000000, -0.0018908800000000 ] - [ 0.0006328100000000, -0.0006145600000000, -0.0003493600000000 ] - [ 0.0005523300000000, 0.0004580400000000, 0.0003969800000000 ] - [ -0.0005778100000000, 0.0000101300000000, 0.0000089400000000 ] - [ 0.0002859300000000, -0.0000802100000000, 0.0003213200000000 ] - [ 0.0016841100000000, 0.0010245300000000, 0.0007379900000000 ] - [ -0.0010655200000000, 0.0001189600000000, 0.0000974400000000 ] - [ 0.0004908500000000, -0.0004278800000000, 0.0003385700000000 ] - [ 0.0067673300000000, 0.0022269700000000, 0.0008178600000000 ] - [ -0.0013244400000000, 0.0004751400000000, -0.0004730800000000 ] - [ 0.0008003800000000, -0.0002997900000000, 0.0006333400000000 ] - [ -0.0003104900000000, 0.0013161200000000, -0.0016948900000000 ] - [ 0.0476459000000000, 0.0115929200000000, 0.0194479300000000 ] - [ 0.0005953000000000, 0.0006251500000000, -0.0003439000000000 ] - [ -0.0005000500000000, 0.0007276900000000, 0.0002755100000000 ] - [ -0.0010580700000000, -0.0001392600000000, 0.0000992100000000 ] - [ 0.0011525000000000, 0.1232195600000000, -0.0072171000000000 ] - [ -0.0015401700000000, 0.0001475700000000, 0.0018859100000000 ] - [ 0.0002528700000000, 0.0000457800000000, 0.0003398100000000 ] - [ 0.0001890400000000, -0.0000794900000000, 0.0002464000000000 ] - [ -0.0003728700000000, 0.0000121500000000, -0.0003363600000000 ] - [ 0.0005506300000000, -0.0001265600000000, -0.0001549200000000 ] - [ -0.0002142300000000, 0.0003359000000000, -0.0002886200000000 ] - [ 0.0006633800000000, -0.0000026300000000, 0.0003921000000000 ] - [ -0.0002596200000000, -0.0001744700000000, 0.0001420200000000 ] - [ 0.0000360200000000, -0.0000151200000000, 0.0003151800000000 ] - [ 0.0004041300000000, 0.0006286700000000, 0.0001414800000000 ] - [ -0.0003561400000000, 0.0000759300000000, 0.0002041500000000 ] - [ 0.0004041800000000, -0.0006287200000000, 0.0001415600000000 ] - [ 0.0006485600000000, -0.0000248300000000, 0.0001306000000000 ] - [ 0.0005520900000000, 0.0001233100000000, -0.0001553800000000 ] - [ 0.0017802800000000, 0.0006734800000000, 0.0003322400000000 ] - [ -0.0003831800000000, 0.0002342700000000, -0.0001539500000000 ] - [ 0.0002771700000000, -0.0000005200000000, 0.0000365600000000 ] - [ 0.0010998400000000, -0.0001573300000000, 0.0004606000000000 ] - [ 0.0004555300000000, -0.0000378800000000, 0.0000050400000000 ] - [ -0.0003579200000000, -0.0000135400000000, -0.0001467600000000 ] - [ -0.0004923300000000, -0.0002165400000000, -0.0001143000000000 ] - [ 0.0004677600000000, 0.0000064900000000, 0.0000093400000000 ] - [ 0.0018881500000000, 0.0000114000000000, 0.0000113900000000 ] - [ 0.0004541600000000, 0.0000379000000000, 0.0000058000000000 ] - [ 0.0003893400000000, -0.0000001900000000, -0.0002302900000000 ] - [ 0.0010280300000000, 0.0000017200000000, 0.0002574200000000 ] - [ 0.0007519000000000, -0.0002716100000000, 0.0000136400000000 ] - [ 0.0001884200000000, 0.0000794800000000, 0.0002482100000000 ] - [ -0.0003608400000000, 0.0000072000000000, -0.0001475300000000 ] - [ 0.0006489000000000, 0.0000253800000000, 0.0001298500000000 ] - [ -0.0004415400000000, -0.0000002100000000, -0.0001713600000000 ] - [ 0.0010950600000000, 0.0001537900000000, 0.0004575300000000 ] - [ -0.0001894800000000, 0.0000019500000000, 0.0005432200000000 ] - [ -0.0012581300000000, -0.0006920900000000, 0.0035258200000000 ] - [ -0.0000344300000000, 0.0000015300000000, 0.0002470000000000 ] - [ -0.0001931100000000, 0.0000087900000000, 0.0002165500000000 ] - [ 0.0002435300000000, 0.0000002500000000, -0.0000478200000000 ] - [ 0.0004063400000000, 0.0000003300000000, 0.0001702800000000 ] - [ 0.0001381600000000, 0.0000007900000000, 0.0005560100000000 ] - [ -0.0000892800000000, 0.0000015800000000, 0.0000613600000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014613400000000, -0.0001265900000000, 0.0009453200000000 ] - [ 0.0002693600000000, 0.0000009000000000, 0.0002226900000000 ] - [ -0.0003398500000000, -0.0000231700000000, 0.0006471100000000 ] - [ -0.0025114000000000, 0.0031760100000000, 0.0040295100000000 ] - [ 0.0038270300000000, -0.0006165600000000, -0.0040599600000000 ] - [ 0.0008412400000000, -0.0000013200000000, -0.0000623200000000 ] - [ 0.0005623800000000, 0.0000008900000000, 0.0002997600000000 ] - [ 0.0002461400000000, -0.0000090500000000, 0.0012376200000000 ] - [ 0.0004621300000000, 0.0000009200000000, 0.0002323700000000 ] - [ 0.0003496700000000, 0.0000022900000000, -0.0000068500000000 ] - [ 0.0009038000000000, -0.0000192200000000, -0.0003417400000000 ] - [ -0.0009692100000000, -0.0046351400000000, -0.0007859800000000 ] - [ -0.0026654100000000, 0.0061480800000000, -0.0147056500000000 ] - [ 0.0006500400000000, 0.0000322600000000, 0.0017489300000000 ] - [ -0.0017137300000000, -0.0003943200000000, 0.0005508800000000 ] - [ -0.0002640800000000, 0.0000029300000000, 0.0000542000000000 ] - [ 0.0012433100000000, -0.0000000600000000, -0.0006742500000000 ] - [ -0.0001221600000000, -0.0000044400000000, 0.0006831100000000 ] - [ 0.0007315700000000, -0.0000003100000000, -0.0003233300000000 ] - [ 0.0016049400000000, 0.0000712200000000, 0.0011371400000000 ] - [ -0.0005125800000000, 0.0001541900000000, -0.0000683300000000 ] - [ -0.0011673700000000, 0.0035688700000000, -0.0007713200000000 ] - [ -0.0034725400000000, 0.0031421000000000, -0.0005718700000000 ] - [ -0.1099768500000000, -0.2667855200000000, -0.0503086400000000 ] - [ 0.0017633100000000, 0.0000244100000000, 0.0004966500000000 ] - [ 0.0005157200000000, 0.0000041800000000, 0.0002158800000000 ] - [ 0.0022750100000000, -0.0000930800000000, 0.0012664500000000 ] - [ 0.0003043300000000, -0.0000032600000000, 0.0003492400000000 ] - [ -0.0013893500000000, -0.0000434900000000, -0.0004765600000000 ] - [ 0.0009600800000000, 0.0005189100000000, 0.0012931600000000 ] - [ 0.0004894700000000, -0.0000020000000000, 0.0001303500000000 ] - [ -0.0001086500000000, 0.0000039700000000, 0.0000035100000000 ] - [ 0.0007733000000000, -0.0000034100000000, -0.0002462000000000 ] - [ 0.0000058400000000, -0.0000035400000000, -0.0002254700000000 ] - [ 0.0040868800000000, -0.0015488500000000, 0.0010694000000000 ] - [ 0.0000469000000000, -0.0001016800000000, 0.0000847600000000 ] - [ 0.0006270900000000, 0.0000711000000000, 0.0004403800000000 ] - [ 0.0014414500000000, -0.0000032100000000, 0.0004864000000000 ] - [ -0.0001903600000000, -0.0000033800000000, -0.0000540800000000 ] - [ 0.0007511800000000, -0.0000073800000000, 0.0002946000000000 ] - [ -0.0002546400000000, -0.0002029500000000, -0.0005313200000000 ] - [ -0.0019800800000000, -0.0001113700000000, -0.0003563100000000 ] - [ 0.0041168500000000, -0.0008568000000000, -0.0015607600000000 ] - [ -0.0005487700000000, 0.0000010500000000, -0.0000875000000000 ] - [ 0.0003780200000000, 0.0000088400000000, 0.0003109200000000 ] - [ -0.0006175700000000, 0.0000184600000000, -0.0001606100000000 ] - [ -0.0004013700000000, 0.0000027800000000, -0.0000896500000000 ] - [ -0.0007334500000000, -0.0004141400000000, 0.0023524500000000 ] - [ -0.0006150700000000, -0.0000196300000000, -0.0001568000000000 ] - [ 0.0013851900000000, -0.0017307900000000, -0.0011789900000000 ] - [ 0.1626166900000000, 0.4050440000000000, 0.0784330000000000 ] - [ 0.0017028000000000, -0.0016173800000000, 0.0015524500000000 ] - [ -0.0006871200000000, -0.0003192100000000, 0.0003425600000000 ] - [ -0.0012386400000000, -0.0002542400000000, -0.0006160800000000 ] - [ 0.0003777300000000, -0.0000097400000000, -0.0002188500000000 ] - [ 0.0010245800000000, -0.0000271300000000, 0.0002112000000000 ] - [ -0.0011789400000000, -0.0009326400000000, -0.0007352500000000 ] - [ -0.0002370700000000, -0.0000164400000000, -0.0006235900000000 ] - [ -0.0011761700000000, 0.0002250400000000, -0.0005577600000000 ] - [ -0.0070283000000000, -0.0022561300000000, -0.0008922400000000 ] - [ 0.0032042500000000, -0.0004781000000000, 0.0007666500000000 ] - [ -0.0002928000000000, 0.0002241500000000, -0.0006341800000000 ] - [ 0.0003972300000000, -0.0012979300000000, 0.0010933800000000 ] - [ -0.0467955100000000, -0.0112470400000000, -0.0191340800000000 ] - [ -0.0006492400000000, 0.0003098500000000, 0.0003378600000000 ] - [ 0.0003556100000000, -0.0007217700000000, 0.0000711400000000 ] - [ -0.0002464300000000, 0.0000353800000000, -0.0006247900000000 ] - [ -0.0005807600000000, -0.1258038400000000, 0.0074262600000000 ] - [ -0.0003389500000000, -0.0001448900000000, -0.0021820400000000 ] - [ 0.0010579500000000, 0.0000632700000000, 0.0001912200000000 ] - [ -0.0003410900000000, 0.0000870100000000, 0.0001034100000000 ] - [ -0.0007352000000000, -0.0000120900000000, -0.0000638400000000 ] - [ -0.0004069200000000, 0.0001224800000000, -0.0001945500000000 ] - [ 0.0005605700000000, -0.0003401000000000, 0.0003717900000000 ] - [ -0.0004514600000000, 0.0000032000000000, -0.0001758300000000 ] - [ -0.0002308200000000, 0.0001141400000000, -0.0001311700000000 ] - [ -0.0001406600000000, 0.0000166900000000, 0.0002119800000000 ] - [ -0.0003586600000000, 0.0003025800000000, -0.0001354900000000 ] - [ -0.0001333600000000, -0.0000120900000000, -0.0001936100000000 ] - [ -0.0003581300000000, -0.0003006700000000, -0.0001362600000000 ] - [ 0.0000296400000000, -0.0001819200000000, 0.0000853000000000 ] - [ -0.0004111400000000, -0.0001205500000000, -0.0001926300000000 ] - [ -0.0018280500000000, -0.0015960600000000, -0.0003465500000000 ] - [ -0.0003185300000000, -0.0000260100000000, -0.0000573500000000 ] - [ -0.0004903900000000, 0.0000004600000000, -0.0002548600000000 ] - [ 0.0002126400000000, 0.0000497100000000, 0.0000713700000000 ] - [ 0.0000340900000000, 0.0000977700000000, -0.0000126400000000 ] - [ -0.0009544300000000, 0.0001182100000000, -0.0003864100000000 ] - [ -0.0001997700000000, 0.0000097400000000, -0.0001007300000000 ] - [ -0.0008238400000000, -0.0000048100000000, -0.0000854100000000 ] - [ 0.0000007100000000, -0.0000096100000000, 0.0002814100000000 ] - [ 0.0000359700000000, -0.0000949000000000, -0.0000135400000000 ] - [ -0.0002907200000000, 0.0000010200000000, -0.0002956700000000 ] - [ 0.0000617400000000, -0.0000001500000000, 0.0001378600000000 ] - [ -0.0007998000000000, 0.0011969800000000, -0.0000245900000000 ] - [ -0.0003392600000000, -0.0000840000000000, 0.0001003500000000 ] - [ -0.0009544200000000, -0.0001166600000000, -0.0003854700000000 ] - [ 0.0000297300000000, 0.0001828500000000, 0.0000864300000000 ] - [ -0.0014554600000000, 0.0000005800000000, -0.0001204000000000 ] - [ 0.0002157000000000, -0.0000483800000000, 0.0000729200000000 ] - [ 0.0003100800000000, -0.0000009500000000, -0.0008384300000000 ] - [ 0.0016468300000000, 0.0006866100000000, -0.0031205700000000 ] - [ -0.0000840300000000, -0.0000002100000000, 0.0000549700000000 ] - [ -0.0002171900000000, -0.0000076400000000, -0.0005574900000000 ] - [ -0.0001289000000000, 0.0000007900000000, -0.0002561800000000 ] - [ 0.0000020300000000, 0.0000008200000000, 0.0001698600000000 ] - [ -0.0002513300000000, 0.0000008600000000, -0.0002530100000000 ] - [ -0.0003194600000000, -0.0000006500000000, -0.0004001300000000 ]- atom: 51 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0024713500000000, 0.0001391700000000, -0.0032206600000000 ] - [ -0.0001595100000000, -0.0000001500000000, -0.0005337500000000 ] - [ 0.0000560000000000, -0.0000324200000000, -0.0021808300000000 ] - [ 0.0006937400000000, -0.0002241900000000, 0.0026604500000000 ] - [ -0.0010353500000000, 0.0006397300000000, 0.0042906000000000 ] - [ -0.0006036700000000, 0.0000015300000000, 0.0003927500000000 ] - [ -0.0006367500000000, 0.0000000100000000, -0.0000341400000000 ] - [ -0.0005280900000000, 0.0000279900000000, -0.0034404400000000 ] - [ -0.0002844200000000, -0.0000000200000000, -0.0011430700000000 ] - [ -0.0002996000000000, 0.0000008500000000, 0.0000892500000000 ] - [ -0.0003570900000000, -0.0000088100000000, 0.0008418400000000 ] - [ 0.0022156600000000, -0.0003550700000000, 0.0046834000000000 ] - [ 0.0015441700000000, 0.0043043500000000, 0.0178975100000000 ] - [ -0.0023438800000000, 0.0000391500000000, -0.0001846800000000 ] - [ 0.0014289300000000, -0.0004403300000000, -0.0061305200000000 ] - [ 0.0014551900000000, 0.0000025700000000, 0.0004434800000000 ] - [ -0.0001628800000000, 0.0000022700000000, -0.0001865700000000 ] - [ 0.0010705300000000, -0.0000241500000000, -0.0006905400000000 ] - [ -0.0007071400000000, 0.0000007100000000, -0.0010227200000000 ] - [ -0.0036052000000000, -0.0000414200000000, 0.0006318200000000 ] - [ -0.0070039500000000, -0.0003700400000000, -0.0019596000000000 ] - [ 0.0033169600000000, 0.0041349100000000, 0.0015114300000000 ] - [ 0.0052616000000000, -0.0031859500000000, 0.0006473300000000 ] - [ 0.0163709100000000, 0.0276923800000000, 0.0877132400000000 ] - [ 0.0007474900000000, -0.0000612800000000, 0.0002374500000000 ] - [ -0.0008758200000000, 0.0000032300000000, -0.0003214100000000 ] - [ -0.0013254200000000, 0.0000594200000000, -0.0004204100000000 ] - [ 0.0006300300000000, -0.0000065800000000, -0.0002834200000000 ] - [ -0.0002391400000000, 0.0000419200000000, -0.0001537000000000 ] - [ -0.0006600200000000, 0.0006033200000000, -0.0001884700000000 ] - [ -0.0000793700000000, 0.0000018300000000, -0.0000455500000000 ] - [ -0.0016280200000000, 0.0000067900000000, -0.0004834900000000 ] - [ -0.0011883600000000, 0.0000017100000000, -0.0002837500000000 ] - [ -0.0007097000000000, 0.0000027400000000, -0.0005050700000000 ] - [ -0.0016819700000000, 0.0002194200000000, -0.0006512500000000 ] - [ 0.0002692200000000, -0.0001122400000000, -0.0000343200000000 ] - [ 0.0012618100000000, 0.0001980100000000, 0.0008717200000000 ] - [ 0.0004957900000000, 0.0000037000000000, 0.0001617000000000 ] - [ -0.0021550900000000, 0.0000002500000000, -0.0007897100000000 ] - [ 0.0000505000000000, -0.0000079100000000, 0.0002698000000000 ] - [ 0.0009270500000000, -0.0002762300000000, 0.0008207100000000 ] - [ 0.0017295000000000, 0.0002282500000000, -0.0010916300000000 ] - [ -0.0057995700000000, 0.0018082400000000, 0.0017454800000000 ] - [ 0.0009145500000000, 0.0000021000000000, -0.0000141000000000 ] - [ -0.0003605400000000, -0.0000080700000000, -0.0000435800000000 ] - [ 0.0002385200000000, -0.0001292400000000, 0.0002526300000000 ] - [ 0.0005296600000000, 0.0000024500000000, 0.0006418900000000 ] - [ -0.0041317300000000, -0.0020909400000000, 0.0050040700000000 ] - [ 0.0002409800000000, 0.0001257800000000, 0.0002570600000000 ] - [ -0.0008139800000000, -0.0017149500000000, 0.0003231700000000 ] - [ -0.0513144600000000, -0.0638943800000000, -0.0860745800000000 ] - [ -0.0028422900000000, 0.0014573700000000, -0.0013814300000000 ] - [ 0.0002028000000000, -0.0006616600000000, -0.0004302800000000 ] - [ 0.0004535100000000, 0.0005390200000000, 0.0000500800000000 ] - [ -0.0001560300000000, -0.0000154800000000, 0.0010032800000000 ] - [ 0.0000448500000000, -0.0001225500000000, 0.0006699800000000 ] - [ 0.0045671600000000, -0.0003864500000000, 0.0014754200000000 ] - [ -0.0006850500000000, -0.0000783200000000, 0.0008543900000000 ] - [ 0.0003985800000000, -0.0004868000000000, -0.0000201200000000 ] - [ 0.0046678300000000, 0.0011841800000000, -0.0030761600000000 ] - [ -0.0034688400000000, 0.0005191500000000, -0.0005163700000000 ] - [ 0.0034240300000000, 0.0008642600000000, 0.0012385300000000 ] - [ 0.0031625800000000, -0.0006405300000000, 0.0073687700000000 ] - [ 0.0348845300000000, 0.0233867100000000, -0.0108307100000000 ] - [ 0.0001111900000000, 0.0006841000000000, -0.0004109000000000 ] - [ 0.0014770600000000, -0.0006464000000000, 0.0015211800000000 ] - [ -0.0006954000000000, 0.0000771200000000, 0.0008520600000000 ] - [ 0.0005082600000000, 0.0078015100000000, -0.0305916600000000 ] - [ -0.0009724500000000, -0.0001397600000000, 0.0013434900000000 ] - [ 0.0000105200000000, 0.0000904100000000, 0.0006898400000000 ] - [ -0.0001183100000000, -0.0000878400000000, 0.0003216400000000 ] - [ -0.0009884100000000, -0.0000383700000000, -0.0006770200000000 ] - [ 0.0004958100000000, -0.0001644000000000, -0.0002062400000000 ] - [ -0.0026813300000000, -0.0004595600000000, -0.0008817300000000 ] - [ 0.0011630100000000, -0.0000016800000000, 0.0004955900000000 ] - [ -0.0007355300000000, -0.0000652900000000, 0.0007601700000000 ] - [ -0.0003293900000000, 0.0000164400000000, 0.0003620800000000 ] - [ 0.0003236200000000, 0.0006275700000000, 0.0001086300000000 ] - [ -0.0006309300000000, 0.0001766200000000, 0.0006968700000000 ] - [ 0.0003230800000000, -0.0006265600000000, 0.0001065300000000 ] - [ 0.0004833700000000, -0.0001082600000000, 0.0000040200000000 ] - [ 0.0004955800000000, 0.0001659800000000, -0.0002071400000000 ] - [ 0.0010400200000000, 0.0002011700000000, -0.0004440500000000 ] - [ -0.0011246400000000, 0.0000595500000000, -0.0002236500000000 ] - [ 0.0002330300000000, -0.0000001400000000, 0.0000540700000000 ] - [ 0.0013593500000000, -0.0002562600000000, 0.0006419700000000 ] - [ 0.0002426700000000, -0.0000386000000000, 0.0000269300000000 ] - [ -0.0003956000000000, -0.0000030400000000, -0.0000873300000000 ] - [ -0.0008421700000000, -0.0001097000000000, -0.0003255500000000 ] - [ -0.0000485300000000, 0.0000146800000000, -0.0001642800000000 ] - [ 0.0020816800000000, 0.0000017600000000, -0.0002581900000000 ] - [ 0.0002396400000000, 0.0000363600000000, 0.0000286500000000 ] - [ 0.0002023300000000, -0.0000004300000000, -0.0003013800000000 ] - [ 0.0007454400000000, -0.0000001000000000, 0.0001295800000000 ] - [ 0.0008051700000000, -0.0000340400000000, -0.0005178300000000 ] - [ -0.0001136200000000, 0.0000929000000000, 0.0003146900000000 ] - [ -0.0003955100000000, 0.0000025900000000, -0.0000871000000000 ] - [ 0.0004825900000000, 0.0001101100000000, 0.0000031200000000 ] - [ -0.0008131300000000, 0.0000004400000000, -0.0001596200000000 ] - [ 0.0013558500000000, 0.0002611800000000, 0.0006363100000000 ] - [ -0.0003837000000000, -0.0000008400000000, 0.0021684800000000 ] - [ -0.0014510200000000, -0.0004991100000000, 0.0044815600000000 ] - [ -0.0000788700000000, 0.0000007200000000, 0.0006204300000000 ] - [ -0.0000434000000000, -0.0000106500000000, 0.0005155200000000 ] - [ 0.0002009600000000, -0.0000004600000000, 0.0000603800000000 ] - [ 0.0003540000000000, 0.0000001400000000, 0.0002132200000000 ] - [ 0.0004017500000000, 0.0000025300000000, 0.0011111800000000 ] - [ -0.0001771400000000, -0.0000016600000000, 0.0005932500000000 ]- atom: 51 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0024853700000000, -0.0001386900000000, 0.0035242100000000 ] - [ 0.0001538000000000, 0.0000008800000000, 0.0005258900000000 ] - [ 0.0000003300000000, 0.0000336200000000, 0.0018361100000000 ] - [ -0.0011049400000000, 0.0003255200000000, -0.0029106200000000 ] - [ 0.0012718900000000, -0.0006378700000000, -0.0042383900000000 ] - [ 0.0005974800000000, -0.0000025600000000, -0.0003868200000000 ] - [ 0.0005802800000000, -0.0000001000000000, 0.0003555600000000 ] - [ 0.0005218900000000, -0.0000272400000000, 0.0034119900000000 ] - [ 0.0003241200000000, -0.0000008800000000, 0.0008079400000000 ] - [ 0.0000082700000000, -0.0000007000000000, -0.0000773400000000 ] - [ 0.0006389100000000, 0.0000076200000000, -0.0008441600000000 ] - [ -0.0021420000000000, 0.0003607400000000, -0.0046941600000000 ] - [ -0.0007202300000000, -0.0038415500000000, -0.0180874400000000 ] - [ 0.0016230800000000, -0.0000458100000000, 0.0011465300000000 ] - [ -0.0014861600000000, 0.0004440700000000, 0.0048912200000000 ] - [ -0.0013530400000000, -0.0000036400000000, 0.0007629100000000 ] - [ 0.0008589300000000, 0.0000050900000000, -0.0007810000000000 ] - [ -0.0017819100000000, 0.0000214400000000, 0.0016499200000000 ] - [ 0.0006019800000000, 0.0000009700000000, -0.0001876700000000 ] - [ 0.0036609600000000, 0.0000415500000000, 0.0005882900000000 ] - [ 0.0070821900000000, 0.0003514000000000, 0.0019721600000000 ] - [ -0.0051452600000000, -0.0041818800000000, -0.0020424300000000 ] - [ -0.0056089700000000, 0.0031559100000000, -0.0011749600000000 ] - [ -0.0169253300000000, -0.0268039700000000, -0.0879808300000000 ] - [ 0.0010831000000000, 0.0000627000000000, 0.0002698600000000 ] - [ 0.0007135200000000, -0.0000055200000000, 0.0003083300000000 ] - [ 0.0023155100000000, -0.0000597900000000, 0.0012906800000000 ] - [ 0.0012861500000000, 0.0000149400000000, 0.0009319100000000 ] - [ -0.0016478900000000, -0.0000453500000000, -0.0004920500000000 ] - [ 0.0010263400000000, -0.0006079900000000, 0.0007190800000000 ] - [ 0.0002254700000000, -0.0000037400000000, 0.0000534300000000 ] - [ -0.0002143400000000, 0.0000037000000000, -0.0000263500000000 ] - [ 0.0007971500000000, 0.0000039500000000, -0.0002580300000000 ] - [ -0.0003557900000000, -0.0000021600000000, -0.0003974300000000 ] - [ 0.0035241700000000, -0.0002239200000000, 0.0011627700000000 ] - [ -0.0004286100000000, 0.0001136300000000, 0.0000197800000000 ] - [ -0.0002182700000000, -0.0001908400000000, 0.0000234800000000 ] - [ 0.0014017900000000, -0.0000018300000000, 0.0004860300000000 ] - [ 0.0002368600000000, 0.0000102600000000, 0.0001342000000000 ] - [ 0.0003145300000000, 0.0000075800000000, 0.0002725100000000 ] - [ -0.0010644000000000, 0.0002854000000000, -0.0004580400000000 ] - [ -0.0027914600000000, -0.0002274200000000, 0.0006983400000000 ] - [ 0.0058705800000000, -0.0017890100000000, -0.0020717900000000 ] - [ -0.0005556400000000, -0.0000021300000000, 0.0000946200000000 ] - [ 0.0005742800000000, 0.0000078800000000, 0.0002619900000000 ] - [ -0.0007220000000000, 0.0000633300000000, -0.0002418400000000 ] - [ -0.0006246300000000, -0.0000027900000000, -0.0001096400000000 ] - [ 0.0042168200000000, 0.0030619200000000, -0.0050685700000000 ] - [ -0.0007251900000000, -0.0000606700000000, -0.0002453500000000 ] - [ 0.0008387900000000, 0.0008009000000000, -0.0002972700000000 ] - [ 0.0514774200000000, 0.0614180000000000, 0.0845925400000000 ] - [ 0.0029590300000000, -0.0014340400000000, 0.0010078400000000 ] - [ -0.0002461400000000, -0.0002709800000000, 0.0004188100000000 ] - [ -0.0011204000000000, -0.0003215100000000, -0.0002588600000000 ] - [ -0.0000683700000000, 0.0000147100000000, -0.0012210100000000 ] - [ 0.0012634100000000, 0.0000070100000000, -0.0001373600000000 ] - [ -0.0040226000000000, 0.0004476400000000, -0.0014682700000000 ] - [ -0.0006326400000000, 0.0001912900000000, -0.0013787400000000 ] - [ -0.0010656500000000, 0.0002693500000000, -0.0001892000000000 ] - [ -0.0050010500000000, -0.0011784600000000, 0.0029676900000000 ] - [ 0.0053271100000000, -0.0005124400000000, 0.0007998700000000 ] - [ -0.0029002700000000, -0.0009191900000000, -0.0012391500000000 ] - [ -0.0030153500000000, 0.0006104400000000, -0.0077397800000000 ] - [ -0.0338114900000000, -0.0232679000000000, 0.0116556500000000 ] - [ -0.0001543900000000, 0.0002490400000000, 0.0003995500000000 ] - [ -0.0016229700000000, 0.0006512600000000, -0.0011695100000000 ] - [ -0.0006218600000000, -0.0001920100000000, -0.0013755000000000 ] - [ 0.0002093900000000, -0.0069415500000000, 0.0307890500000000 ] - [ -0.0009349100000000, 0.0001418900000000, -0.0016031500000000 ] - [ 0.0012972800000000, 0.0000246700000000, -0.0001581800000000 ] - [ -0.0000247900000000, 0.0000945200000000, 0.0000285700000000 ] - [ -0.0001000100000000, 0.0000387700000000, 0.0002843900000000 ] - [ -0.0003438500000000, 0.0001606200000000, -0.0001420400000000 ] - [ 0.0030240600000000, 0.0004638800000000, 0.0009641700000000 ] - [ -0.0009360200000000, 0.0000017400000000, -0.0002710700000000 ] - [ 0.0002447200000000, -0.0000023300000000, -0.0007502300000000 ] - [ 0.0002297600000000, -0.0000166500000000, 0.0001629500000000 ] - [ -0.0002673900000000, 0.0003077200000000, -0.0000963100000000 ] - [ 0.0001389000000000, -0.0001104700000000, -0.0006856400000000 ] - [ -0.0002662300000000, -0.0003072100000000, -0.0000963400000000 ] - [ 0.0002017200000000, -0.0001015700000000, 0.0002124600000000 ] - [ -0.0003431100000000, -0.0001605100000000, -0.0001399000000000 ] - [ -0.0010872500000000, -0.0011342900000000, 0.0004342200000000 ] - [ 0.0004432300000000, 0.0001509100000000, 0.0000080900000000 ] - [ -0.0004451700000000, -0.0000004300000000, -0.0002730200000000 ] - [ -0.0000380200000000, 0.0001402700000000, -0.0001065100000000 ] - [ 0.0002494800000000, 0.0001022000000000, -0.0000348300000000 ] - [ -0.0009158600000000, 0.0001173100000000, -0.0004452500000000 ] - [ 0.0001580800000000, -0.0000983100000000, 0.0001094000000000 ] - [ -0.0002900500000000, -0.0000143000000000, 0.0000881500000000 ] - [ -0.0001687900000000, -0.0000013700000000, 0.0005505500000000 ] - [ 0.0002526700000000, -0.0001002600000000, -0.0000368700000000 ] - [ -0.0000976600000000, 0.0000006400000000, -0.0002233800000000 ] - [ 0.0003523200000000, 0.0000001400000000, 0.0002650000000000 ] - [ -0.0008538900000000, 0.0009656200000000, 0.0005075100000000 ] - [ -0.0000294500000000, -0.0001004300000000, 0.0000341800000000 ] - [ -0.0009160600000000, -0.0001180400000000, -0.0004444900000000 ] - [ 0.0002022700000000, 0.0001005400000000, 0.0002132000000000 ] - [ -0.0010759600000000, -0.0000013600000000, -0.0001335500000000 ] - [ -0.0000339600000000, -0.0001462100000000, -0.0001028800000000 ] - [ 0.0004937500000000, 0.0000005200000000, -0.0024566500000000 ] - [ 0.0018384000000000, 0.0004954500000000, -0.0041020100000000 ] - [ -0.0000333800000000, -0.0000005800000000, -0.0003174600000000 ] - [ -0.0003606500000000, 0.0000107700000000, -0.0008508700000000 ] - [ -0.0000844000000000, 0.0000000100000000, -0.0003660600000000 ] - [ 0.0000544400000000, -0.0000002600000000, 0.0001261600000000 ] - [ -0.0005088300000000, -0.0000027500000000, -0.0008013300000000 ] - [ -0.0002262300000000, 0.0000015300000000, -0.0009321600000000 ]- atom: 56 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0007352100000000, 0.0004321200000000, 0.0007707600000000 ] - [ -0.0038353800000000, -0.0001699400000000, 0.0044814700000000 ] - [ 0.0066703100000000, 0.0022131900000000, -0.0025799500000000 ] - [ 0.0009316400000000, 0.0000099500000000, -0.0001575900000000 ] - [ 0.0044456100000000, -0.0002610800000000, 0.0010647300000000 ] - [ 0.0001446200000000, 0.0000358200000000, -0.0017153600000000 ] - [ -0.0021463500000000, 0.0000011600000000, 0.0004539300000000 ] - [ -0.0022723600000000, -0.0000108300000000, -0.0004020600000000 ] - [ -0.0015860100000000, 0.0000001100000000, -0.0003110600000000 ] - [ -0.0013414600000000, -0.0000004800000000, -0.0004278200000000 ] - [ -0.0014940900000000, -0.0000009400000000, -0.0002348700000000 ] - [ -0.0009535600000000, -0.0000013400000000, -0.0000010200000000 ] - [ -0.0014300900000000, 0.0000913500000000, 0.0024885900000000 ] - [ 0.0024226000000000, -0.0000036900000000, 0.0011732600000000 ] - [ -0.0013057400000000, -0.0002166800000000, -0.0038878900000000 ] - [ 0.0176095000000000, 0.0040984700000000, -0.0001432600000000 ] - [ -0.0030596700000000, -0.0000567900000000, -0.0021631300000000 ] - [ -0.0024550400000000, -0.0000031700000000, -0.0000754400000000 ] - [ -0.0011940000000000, -0.0000012400000000, 0.0004360300000000 ] - [ -0.0028805800000000, 0.0000004200000000, 0.0008321300000000 ] - [ -0.0025836200000000, 0.0000153500000000, -0.0008772700000000 ] - [ -0.0020966700000000, 0.0000022400000000, -0.0006448200000000 ] - [ 0.0050299000000000, 0.0023279000000000, 0.0009198400000000 ] - [ 0.0005504300000000, -0.0000507200000000, 0.0001906300000000 ] - [ -0.0015635500000000, -0.0008541900000000, -0.0010286700000000 ] - [ 0.0018775400000000, 0.0000029100000000, 0.0010907300000000 ] - [ 0.0029622900000000, 0.0000167000000000, 0.0013174900000000 ] - [ -0.0012911200000000, 0.0022047300000000, -0.0003599500000000 ] - [ 0.1584439900000000, -0.1126993400000000, 0.0255755000000000 ] - [ 0.0026977400000000, -0.0000324400000000, 0.0001938000000000 ] - [ -0.0032950700000000, 0.0008441300000000, -0.0010803600000000 ] - [ -0.0009171500000000, -0.0000001300000000, -0.0002449200000000 ] - [ -0.0026877500000000, 0.0000104800000000, -0.0003887800000000 ] - [ -0.0022831900000000, 0.0000020800000000, -0.0012425000000000 ] - [ -0.0006204200000000, -0.0000015200000000, -0.0001726000000000 ] - [ -0.0017934600000000, 0.0000114200000000, -0.0005842300000000 ] - [ -0.0009884300000000, 0.0000009100000000, -0.0001961700000000 ] - [ -0.0003314400000000, 0.0000001100000000, -0.0000665700000000 ] - [ -0.0026096400000000, -0.0000045000000000, -0.0008615200000000 ] - [ -0.0015566600000000, -0.0000010900000000, 0.0001821000000000 ] - [ -0.0014124800000000, 0.0001366000000000, 0.0002935500000000 ] - [ -0.0023561100000000, -0.0000007700000000, -0.0008813800000000 ] - [ -0.0016578200000000, 0.0006003000000000, -0.0013795300000000 ] - [ -0.0002457200000000, -0.0000006000000000, 0.0004767500000000 ] - [ 0.0526285900000000, -0.0589563500000000, 0.0267427800000000 ] - [ -0.0009096000000000, 0.0004532400000000, -0.0008997900000000 ] - [ -0.0019108100000000, 0.0000286800000000, 0.0000498300000000 ] - [ 0.0003616500000000, 0.0008178200000000, 0.0005801800000000 ] - [ -0.0008997700000000, -0.0004382400000000, -0.0008789000000000 ] - [ 0.0003653200000000, -0.0008112600000000, 0.0005703500000000 ] - [ 0.0001213500000000, -0.0004706500000000, -0.0005283300000000 ] - [ -0.0012882400000000, -0.0023012200000000, -0.0030132900000000 ] - [ -0.0000153600000000, 0.0009495900000000, 0.0038139800000000 ] - [ -0.0015720400000000, -0.0003171000000000, -0.0002302400000000 ] - [ 0.0018809800000000, -0.0005327700000000, 0.0005425100000000 ] - [ -0.2062096300000000, 0.1587026500000000, -0.0515887400000000 ] - [ 0.0015703900000000, -0.0003261600000000, 0.0001893700000000 ] - [ 0.0012267800000000, -0.0018118500000000, 0.0029975600000000 ] - [ -0.0015539200000000, 0.0003074800000000, -0.0002400700000000 ] - [ 0.0011892000000000, 0.0000017400000000, -0.0001095700000000 ] - [ -0.0057639500000000, -0.0018485100000000, -0.0008106700000000 ] - [ 0.0015659600000000, 0.0003043100000000, 0.0001637200000000 ] - [ 0.0026874800000000, -0.0001261300000000, -0.0013234000000000 ] - [ -0.0005483700000000, 0.0000116200000000, 0.0000325700000000 ] - [ -0.0003581600000000, 0.0001241200000000, 0.0026214100000000 ] - [ -0.0014838400000000, -0.0001663700000000, 0.0002781600000000 ] - [ -0.0007925500000000, -0.0001250300000000, 0.0011142400000000 ] - [ 0.0001425900000000, 0.0005037200000000, -0.0005607600000000 ] - [ -0.0029045000000000, 0.0000268500000000, 0.0004332800000000 ] - [ -0.0287234500000000, 0.0068577400000000, -0.0020547800000000 ] - [ 0.0008986700000000, -0.0001645100000000, 0.0003085200000000 ] - [ 0.0006771300000000, -0.0000002700000000, 0.0001649700000000 ] - [ 0.0014701700000000, -0.0002504200000000, -0.0000024400000000 ] - [ 0.0012158900000000, -0.0000010500000000, 0.0001269300000000 ] - [ 0.0014881000000000, 0.0000000200000000, 0.0003595100000000 ] - [ 0.0007920500000000, -0.0002069500000000, 0.0004601300000000 ] - [ 0.0012971300000000, -0.0000028500000000, 0.0005900000000000 ] - [ 0.0001757400000000, 0.0003749100000000, 0.0000410800000000 ] - [ 0.0007729100000000, 0.0002003200000000, 0.0004617000000000 ] - [ 0.0001745200000000, -0.0003773600000000, 0.0000387100000000 ] - [ 0.0010656900000000, 0.0003440800000000, 0.0008641800000000 ] - [ 0.0014611500000000, 0.0002464500000000, -0.0000004600000000 ] - [ 0.0008092800000000, -0.0002219100000000, 0.0000876500000000 ] - [ 0.0004003300000000, 0.0003981700000000, 0.0002214100000000 ] - [ 0.0010731800000000, -0.0000016000000000, -0.0002917800000000 ] - [ 0.0016816100000000, -0.0002453100000000, 0.0004507600000000 ] - [ 0.0034580700000000, -0.0008528600000000, 0.0006821200000000 ] - [ 0.0000892200000000, -0.0000971900000000, -0.0002517000000000 ] - [ 0.0004007400000000, -0.0003984000000000, 0.0002213800000000 ] - [ 0.0012991500000000, 0.0001111200000000, 0.0004951300000000 ] - [ 0.0031893800000000, -0.0000012300000000, -0.0000383400000000 ] - [ 0.0022164600000000, 0.0001762600000000, 0.0006524300000000 ] - [ 0.0030508000000000, -0.0002218600000000, 0.0006193100000000 ] - [ 0.0019690200000000, 0.0000003300000000, 0.0006172000000000 ] - [ 0.0008092200000000, 0.0002219700000000, 0.0000872900000000 ] - [ 0.0008989100000000, 0.0001642000000000, 0.0003081000000000 ] - [ 0.0000886300000000, 0.0000959700000000, -0.0002517900000000 ] - [ 0.0010655700000000, -0.0003416800000000, 0.0008596900000000 ] - [ 0.0005162000000000, -0.0000002600000000, -0.0002259900000000 ] - [ 0.0016817100000000, 0.0002464700000000, 0.0004507400000000 ] - [ 0.0017619100000000, -0.0001668700000000, 0.0014539800000000 ] - [ 0.0019143800000000, 0.0005230500000000, -0.0010240900000000 ] - [ 0.0014258000000000, 0.0012109600000000, -0.0036634900000000 ] - [ -0.0018875400000000, -0.0003150900000000, -0.0016947200000000 ] - [ 0.0010207000000000, -0.0000036400000000, -0.0009939600000000 ] - [ 0.0011963400000000, 0.0000117000000000, 0.0000198600000000 ] - [ 0.0008256900000000, 0.0000004200000000, 0.0001293800000000 ] - [ 0.0004732300000000, 0.0000000200000000, -0.0000573700000000 ]- atom: 56 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0004058300000000, -0.0002671200000000, -0.0004715800000000 ] - [ 0.0038189000000000, 0.0001729400000000, -0.0044850000000000 ] - [ -0.0065442600000000, -0.0021783900000000, 0.0022824400000000 ] - [ -0.0012112500000000, -0.0000106500000000, 0.0001671500000000 ] - [ -0.0041365200000000, 0.0002601000000000, -0.0010664900000000 ] - [ -0.0001444800000000, -0.0000354200000000, 0.0017150500000000 ] - [ 0.0020767000000000, -0.0000020900000000, -0.0001287000000000 ] - [ 0.0022575300000000, 0.0000102600000000, 0.0003944900000000 ] - [ 0.0016356400000000, 0.0000001300000000, -0.0000161400000000 ] - [ 0.0010407600000000, -0.0000004900000000, 0.0004320900000000 ] - [ 0.0017804000000000, -0.0000004600000000, 0.0002294300000000 ] - [ 0.0009540900000000, 0.0000010200000000, 0.0000052100000000 ] - [ 0.0021251300000000, -0.0000847500000000, -0.0034216800000000 ] - [ -0.0031216900000000, -0.0000096400000000, -0.0001825700000000 ] - [ 0.0012268500000000, 0.0002130900000000, 0.0026254300000000 ] - [ -0.0178799800000000, -0.0043317100000000, 0.0010155200000000 ] - [ 0.0037439200000000, 0.0000621100000000, 0.0011918300000000 ] - [ 0.0017565900000000, -0.0000021500000000, 0.0010438300000000 ] - [ 0.0010872900000000, 0.0000012400000000, -0.0016472800000000 ] - [ 0.0029505000000000, -0.0000007500000000, 0.0003942200000000 ] - [ 0.0027095800000000, -0.0000194300000000, 0.0008798100000000 ] - [ 0.0002538700000000, -0.0000020400000000, 0.0001334800000000 ] - [ -0.0053250200000000, -0.0023012200000000, -0.0014601400000000 ] - [ -0.0015859000000000, 0.0000494700000000, -0.0010795800000000 ] - [ 0.0034101400000000, 0.0008718200000000, 0.0015423700000000 ] - [ -0.0020219300000000, -0.0000056200000000, -0.0010966600000000 ] - [ -0.0019078800000000, -0.0000138800000000, -0.0004183400000000 ] - [ 0.0031956000000000, -0.0021849100000000, 0.0010106300000000 ] - [ -0.1615239200000000, 0.1183157800000000, -0.0272280500000000 ] - [ -0.0022848700000000, 0.0000372700000000, 0.0003457700000000 ] - [ 0.0034332500000000, -0.0008433800000000, 0.0010858100000000 ] - [ -0.0009248800000000, -0.0000078100000000, -0.0002635200000000 ] - [ 0.0022899000000000, -0.0000014700000000, -0.0001531700000000 ] - [ 0.0012162800000000, 0.0000068800000000, 0.0003375700000000 ] - [ 0.0024508600000000, -0.0000023800000000, 0.0006792900000000 ] - [ 0.0016314700000000, -0.0000091000000000, 0.0005688600000000 ] - [ 0.0020233100000000, 0.0000031500000000, 0.0010866700000000 ] - [ 0.0022199200000000, 0.0000051200000000, 0.0007129400000000 ] - [ 0.0007049100000000, 0.0000053700000000, 0.0002098000000000 ] - [ 0.0019191000000000, -0.0000048700000000, 0.0003590700000000 ] - [ 0.0012617300000000, -0.0001288500000000, 0.0000451700000000 ] - [ 0.0012567300000000, 0.0000002200000000, 0.0004906400000000 ] - [ 0.0017706600000000, -0.0005941400000000, 0.0010249500000000 ] - [ 0.0006004700000000, -0.0000006500000000, -0.0003971200000000 ] - [ -0.0535498700000000, 0.0603007300000000, -0.0272738600000000 ] - [ 0.0004230500000000, -0.0005169600000000, 0.0009048800000000 ] - [ 0.0018127800000000, -0.0000285000000000, 0.0004702400000000 ] - [ -0.0003193000000000, 0.0001144800000000, -0.0005721800000000 ] - [ 0.0004136900000000, 0.0005016300000000, 0.0008847900000000 ] - [ -0.0003223900000000, -0.0001217500000000, -0.0005628200000000 ] - [ 0.0005538700000000, 0.0002620900000000, 0.0007382000000000 ] - [ 0.0014095200000000, 0.0022793200000000, 0.0026434100000000 ] - [ -0.0000270200000000, -0.0018836500000000, -0.0038254800000000 ] - [ 0.0008888800000000, 0.0005175300000000, 0.0000121000000000 ] - [ -0.0021002500000000, 0.0005287200000000, -0.0007619600000000 ] - [ 0.2096646700000000, -0.1650658800000000, 0.0541630500000000 ] - [ -0.0010703000000000, 0.0003868400000000, -0.0001945000000000 ] - [ -0.0025410100000000, 0.0019067400000000, -0.0035048700000000 ] - [ 0.0008710500000000, -0.0005083800000000, 0.0000217000000000 ] - [ -0.0015315800000000, -0.0000016500000000, 0.0000310300000000 ] - [ 0.0076017400000000, 0.0018501400000000, 0.0011321000000000 ] - [ -0.0010658000000000, -0.0003654800000000, -0.0001699100000000 ] - [ -0.0025628700000000, 0.0001230000000000, 0.0007849100000000 ] - [ 0.0016299200000000, -0.0000113900000000, 0.0003565300000000 ] - [ 0.0003205900000000, 0.0007985400000000, -0.0026210900000000 ] - [ 0.0013315200000000, 0.0001569300000000, 0.0000590700000000 ] - [ -0.0005432400000000, 0.0000124600000000, -0.0016405000000000 ] - [ 0.0005329700000000, -0.0002955400000000, 0.0007703500000000 ] - [ 0.0009821300000000, -0.0000275600000000, -0.0007263900000000 ] - [ 0.0301026000000000, -0.0074151600000000, 0.0026341100000000 ] - [ -0.0010357800000000, 0.0001714700000000, 0.0000399000000000 ] - [ -0.0017619900000000, 0.0000000500000000, -0.0005550000000000 ] - [ -0.0013236600000000, 0.0002463700000000, -0.0003452000000000 ] - [ -0.0008646300000000, -0.0000001200000000, -0.0000478700000000 ] - [ -0.0012565800000000, 0.0000003200000000, -0.0001362300000000 ] - [ -0.0012787500000000, 0.0001393300000000, -0.0004497200000000 ] - [ -0.0013922300000000, 0.0000026400000000, -0.0000664100000000 ] - [ -0.0001292100000000, 0.0005576900000000, -0.0000324500000000 ] - [ -0.0012598100000000, -0.0001335000000000, -0.0004511000000000 ] - [ -0.0001288500000000, -0.0005556300000000, -0.0000301600000000 ] - [ -0.0003840900000000, -0.0005481300000000, -0.0006487800000000 ] - [ -0.0013159700000000, -0.0002433900000000, -0.0003452900000000 ] - [ -0.0008463300000000, -0.0007095200000000, -0.0000949000000000 ] - [ -0.0010761300000000, -0.0001926300000000, -0.0004337800000000 ] - [ -0.0012872400000000, 0.0000014500000000, 0.0000713700000000 ] - [ -0.0003544600000000, 0.0001325200000000, 0.0000848700000000 ] - [ -0.0029594600000000, 0.0009217400000000, -0.0006866900000000 ] - [ -0.0014064700000000, 0.0002081300000000, -0.0002816800000000 ] - [ -0.0010761300000000, 0.0001926300000000, -0.0004344500000000 ] - [ -0.0016422200000000, -0.0001116100000000, -0.0005738300000000 ] - [ -0.0012779100000000, 0.0000015600000000, 0.0003333300000000 ] - [ -0.0017128100000000, -0.0002396300000000, -0.0006584300000000 ] - [ -0.0029414700000000, 0.0002226700000000, -0.0011408400000000 ] - [ -0.0008704200000000, 0.0000002900000000, -0.0002251200000000 ] - [ -0.0008468700000000, 0.0007090100000000, -0.0000935900000000 ] - [ -0.0010353500000000, -0.0001729400000000, 0.0000388600000000 ] - [ -0.0014066500000000, -0.0002093100000000, -0.0002813700000000 ] - [ -0.0003830600000000, 0.0005450200000000, -0.0006446300000000 ] - [ -0.0024061900000000, -0.0000007200000000, -0.0000698900000000 ] - [ -0.0003544700000000, -0.0001336100000000, 0.0000839000000000 ] - [ -0.0016408300000000, 0.0001627100000000, -0.0017350500000000 ] - [ -0.0015059600000000, -0.0005121300000000, 0.0013571600000000 ] - [ -0.0015355500000000, -0.0012275900000000, 0.0039775300000000 ] - [ 0.0014978400000000, 0.0003146500000000, 0.0013264200000000 ] - [ -0.0009051400000000, 0.0000028500000000, 0.0006861000000000 ] - [ -0.0007925700000000, -0.0000117100000000, 0.0003242200000000 ] - [ -0.0009256400000000, -0.0000004600000000, 0.0001772800000000 ] - [ -0.0008659900000000, -0.0000003100000000, -0.0002849300000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013449300000000, 0.0054274900000000, -0.0000061600000000 ] - [ 0.0024115600000000, 0.0002203700000000, -0.0028331400000000 ] - [ -0.0002066800000000, -0.0022542400000000, -0.0063172900000000 ] - [ 0.0000427500000000, 0.0000246700000000, 0.0003825500000000 ] - [ -0.0008927600000000, 0.0003026900000000, 0.0001104500000000 ] - [ -0.0002300000000000, -0.0000079600000000, 0.0005149000000000 ] - [ 0.0004636200000000, 0.0000017900000000, 0.0000748800000000 ] - [ 0.0003577900000000, 0.0000043500000000, -0.0001193200000000 ] - [ 0.0003377300000000, 0.0000008100000000, -0.0001989800000000 ] - [ 0.0000352700000000, 0.0000000500000000, 0.0001188400000000 ] - [ 0.0004779200000000, -0.0000000400000000, 0.0000951400000000 ] - [ 0.0003007700000000, 0.0000011700000000, 0.0001221300000000 ] - [ 0.0009834900000000, -0.0001050700000000, -0.0004283000000000 ] - [ -0.0016866500000000, -0.0001030900000000, 0.0007421500000000 ] - [ 0.0008534100000000, 0.0002182000000000, -0.0005441100000000 ] - [ -0.0013489000000000, -0.0100366100000000, 0.0038128800000000 ] - [ 0.0011343400000000, -0.0000474800000000, 0.0001170900000000 ] - [ 0.0001446500000000, 0.0000008000000000, 0.0005335200000000 ] - [ -0.0001255600000000, -0.0000029800000000, -0.0010900700000000 ] - [ 0.0004957500000000, 0.0000010200000000, 0.0006223100000000 ] - [ 0.0000170300000000, -0.0000154800000000, -0.0000632500000000 ] - [ -0.0004581400000000, -0.0000030000000000, -0.0001065600000000 ] - [ 0.0016405800000000, -0.0026052400000000, -0.0005635400000000 ] - [ -0.0003431100000000, 0.0000478700000000, -0.0004025700000000 ] - [ 0.0013886500000000, -0.0000937900000000, 0.0013898700000000 ] - [ -0.0016503300000000, -0.0000681400000000, -0.0006172400000000 ] - [ -0.0000906500000000, 0.0000176900000000, 0.0002870600000000 ] - [ 0.0020949700000000, -0.0021462900000000, 0.0007702900000000 ] - [ -0.1216284600000000, 0.2991037300000000, -0.0382253300000000 ] - [ 0.0008194300000000, -0.0007600200000000, 0.0000794600000000 ] - [ 0.0005272000000000, 0.0006507000000000, 0.0000969100000000 ] - [ -0.0012051100000000, 0.0000034200000000, -0.0003419800000000 ] - [ 0.0003212600000000, 0.0000043400000000, -0.0002448300000000 ] - [ -0.0001842900000000, 0.0000053900000000, -0.0002870300000000 ] - [ 0.0012779400000000, -0.0000012300000000, 0.0003784200000000 ] - [ 0.0002944600000000, -0.0000115100000000, 0.0001089000000000 ] - [ 0.0008582100000000, -0.0000005500000000, 0.0005912900000000 ] - [ 0.0013098600000000, 0.0000041800000000, 0.0004736300000000 ] - [ -0.0006486400000000, -0.0000025000000000, -0.0002301400000000 ] - [ 0.0004889000000000, -0.0000036000000000, 0.0002839500000000 ] - [ -0.0004527500000000, 0.0011501200000000, -0.0010319000000000 ] - [ -0.0001572900000000, -0.0000050200000000, 0.0000085400000000 ] - [ -0.0003017200000000, 0.0010917000000000, -0.0010615800000000 ] - [ 0.0005666600000000, -0.0000007400000000, -0.0001157100000000 ] - [ -0.0458225200000000, 0.0120718000000000, -0.0155319600000000 ] - [ 0.0003522300000000, -0.0003927900000000, 0.0004798400000000 ] - [ 0.0015666700000000, -0.0000558900000000, 0.0000467400000000 ] - [ -0.0001813600000000, 0.0003620000000000, -0.0001361800000000 ] - [ 0.0003227200000000, 0.0003942200000000, 0.0004412300000000 ] - [ -0.0001865700000000, -0.0003676700000000, -0.0001283700000000 ] - [ 0.0002233600000000, -0.0001293000000000, 0.0000410700000000 ] - [ -0.0002244300000000, 0.0005329400000000, 0.0007069800000000 ] - [ -0.0001037200000000, 0.0006920000000000, -0.0003659300000000 ] - [ 0.0000095700000000, 0.0001732700000000, -0.0002178300000000 ] - [ -0.0007858500000000, 0.0004858100000000, -0.0002346300000000 ] - [ 0.1691956600000000, -0.4255736100000000, 0.0587538300000000 ] - [ 0.0001293900000000, -0.0000253600000000, 0.0000087700000000 ] - [ -0.0025124600000000, 0.0004718400000000, -0.0015457800000000 ] - [ 0.0000027900000000, -0.0001911600000000, -0.0002181100000000 ] - [ -0.0004912300000000, -0.0000011600000000, -0.0000963000000000 ] - [ 0.0002336800000000, 0.0038082600000000, 0.0030237900000000 ] - [ 0.0001223000000000, 0.0000363000000000, 0.0000036000000000 ] - [ 0.0002434400000000, 0.0000109700000000, -0.0006110800000000 ] - [ 0.0005177700000000, -0.0000106400000000, 0.0000502400000000 ] - [ 0.0001738100000000, 0.0003352500000000, -0.0010499200000000 ] - [ 0.0001719800000000, 0.0002511100000000, 0.0001210300000000 ] - [ -0.0005736200000000, 0.0009651400000000, 0.0003308200000000 ] - [ 0.0001996500000000, 0.0000934900000000, 0.0000718600000000 ] - [ -0.0014241100000000, 0.0000673800000000, -0.0001681800000000 ] - [ -0.0065919800000000, 0.1133283600000000, -0.0004439600000000 ] - [ -0.0002559900000000, 0.0000237000000000, 0.0001618900000000 ] - [ -0.0008063500000000, -0.0000001200000000, -0.0003000600000000 ] - [ -0.0002166400000000, 0.0000501900000000, -0.0002320200000000 ] - [ -0.0002096800000000, 0.0000004700000000, -0.0000246200000000 ] - [ -0.0001419500000000, 0.0000004800000000, 0.0000588300000000 ] - [ -0.0005179500000000, -0.0000027200000000, -0.0000282900000000 ] - [ -0.0003469600000000, 0.0000028300000000, 0.0001953000000000 ] - [ 0.0001179300000000, 0.0005463800000000, 0.0000326200000000 ] - [ -0.0004968600000000, 0.0000085000000000, -0.0000276200000000 ] - [ 0.0001187500000000, -0.0005453000000000, 0.0000346100000000 ] - [ 0.0002190200000000, -0.0002060600000000, -0.0000987000000000 ] - [ -0.0002245600000000, -0.0000505500000000, -0.0002297800000000 ] - [ -0.0002045800000000, -0.0005351300000000, -0.0000700300000000 ] - [ -0.0005107000000000, 0.0000396800000000, -0.0001874400000000 ] - [ -0.0005350600000000, 0.0000008500000000, 0.0000983500000000 ] - [ 0.0004589900000000, -0.0000238000000000, 0.0002424700000000 ] - [ 0.0009979000000000, 0.0011003300000000, -0.0005727800000000 ] - [ -0.0008068000000000, 0.0001208600000000, -0.0002516600000000 ] - [ -0.0005107900000000, -0.0000398000000000, -0.0001874100000000 ] - [ -0.0002621900000000, -0.0000379000000000, -0.0001619500000000 ] - [ 0.0004963300000000, -0.0000008800000000, 0.0001645800000000 ] - [ -0.0004960400000000, -0.0006263400000000, -0.0002608600000000 ] - [ -0.0007790700000000, -0.0001320600000000, -0.0004571400000000 ] - [ 0.0002673200000000, 0.0000006700000000, 0.0001018500000000 ] - [ -0.0002050200000000, 0.0005353500000000, -0.0000689400000000 ] - [ -0.0002552200000000, -0.0000232900000000, 0.0001611300000000 ] - [ -0.0008071900000000, -0.0001215700000000, -0.0002509600000000 ] - [ 0.0002193700000000, 0.0002071800000000, -0.0001043800000000 ] - [ -0.0011856500000000, -0.0000003400000000, -0.0001276000000000 ] - [ 0.0004590600000000, 0.0000238000000000, 0.0002420400000000 ] - [ 0.0000942700000000, 0.0000199200000000, 0.0002997500000000 ] - [ -0.0001283000000000, -0.0001010800000000, 0.0002515800000000 ] - [ 0.0026242900000000, 0.0028292500000000, 0.0005934200000000 ] - [ 0.0006179300000000, -0.0004117000000000, 0.0004529000000000 ] - [ -0.0001320400000000, -0.0000051600000000, 0.0001605500000000 ] - [ -0.0000712500000000, 0.0000127400000000, 0.0001286500000000 ] - [ -0.0001911600000000, 0.0000002600000000, 0.0001876800000000 ] - [ -0.0003384500000000, -0.0000001700000000, -0.0001436000000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012732000000000, -0.0053773200000000, 0.0003166300000000 ] - [ -0.0024181800000000, -0.0002201100000000, 0.0028226300000000 ] - [ 0.0002106900000000, 0.0021117900000000, 0.0061472500000000 ] - [ -0.0003425200000000, -0.0000248200000000, -0.0003726400000000 ] - [ 0.0011621100000000, -0.0002973300000000, -0.0001409300000000 ] - [ 0.0002336200000000, 0.0000080700000000, -0.0005049300000000 ] - [ -0.0004996200000000, -0.0000035400000000, 0.0002468100000000 ] - [ -0.0003476700000000, -0.0000051700000000, 0.0001232300000000 ] - [ -0.0002813100000000, -0.0000009400000000, -0.0001208100000000 ] - [ -0.0003196800000000, -0.0000010900000000, -0.0001033700000000 ] - [ -0.0001743200000000, -0.0000012600000000, -0.0001075300000000 ] - [ -0.0002959700000000, -0.0000019700000000, -0.0001237400000000 ] - [ -0.0002840100000000, 0.0001080300000000, -0.0005612900000000 ] - [ 0.0009796300000000, 0.0000923100000000, 0.0002441900000000 ] - [ -0.0009406600000000, -0.0002178900000000, -0.0006507400000000 ] - [ 0.0013445200000000, 0.0098184700000000, -0.0026561600000000 ] - [ -0.0004207100000000, 0.0000488400000000, -0.0010800100000000 ] - [ -0.0008330000000000, -0.0000026700000000, 0.0004375200000000 ] - [ 0.0000337300000000, 0.0000008100000000, -0.0001225000000000 ] - [ -0.0003813800000000, 0.0000002800000000, 0.0005909500000000 ] - [ 0.0001497400000000, 0.0000141800000000, 0.0000816600000000 ] - [ -0.0013647300000000, -0.0000000900000000, -0.0003984100000000 ] - [ -0.0020973500000000, 0.0025685700000000, 0.0000167100000000 ] - [ -0.0007203800000000, -0.0000563700000000, -0.0004996200000000 ] - [ 0.0004701800000000, 0.0000973200000000, -0.0008777600000000 ] - [ 0.0015085500000000, 0.0000628800000000, 0.0006098600000000 ] - [ 0.0011221600000000, -0.0000094200000000, 0.0006000600000000 ] - [ -0.0001975100000000, 0.0021187800000000, -0.0001269200000000 ] - [ 0.1070464300000000, -0.2786645400000000, 0.0338208900000000 ] - [ -0.0004833200000000, 0.0007612400000000, 0.0004688000000000 ] - [ -0.0003504000000000, -0.0006444000000000, -0.0000777100000000 ] - [ -0.0006116000000000, 0.0000005900000000, -0.0001592200000000 ] - [ -0.0006901500000000, 0.0000065800000000, -0.0002966800000000 ] - [ -0.0008698700000000, 0.0000075900000000, -0.0006118100000000 ] - [ 0.0005565300000000, 0.0000038800000000, 0.0001296900000000 ] - [ -0.0004361800000000, 0.0000095500000000, -0.0001162900000000 ] - [ 0.0001952600000000, 0.0000012700000000, 0.0003053100000000 ] - [ 0.0005963800000000, 0.0000011200000000, 0.0001767900000000 ] - [ -0.0012364000000000, 0.0000048100000000, -0.0004133400000000 ] - [ -0.0001133200000000, -0.0000002400000000, 0.0002589800000000 ] - [ 0.0003211100000000, -0.0011567200000000, 0.0013864600000000 ] - [ -0.0009289400000000, 0.0000042400000000, -0.0004014000000000 ] - [ 0.0004639000000000, -0.0011014300000000, 0.0007226200000000 ] - [ -0.0002125700000000, -0.0000003300000000, 0.0001906800000000 ] - [ 0.0458003600000000, -0.0123890900000000, 0.0156678700000000 ] - [ -0.0008432500000000, 0.0003310300000000, -0.0004719000000000 ] - [ -0.0016746100000000, 0.0000552100000000, 0.0004831700000000 ] - [ 0.0002266700000000, 0.0005673300000000, 0.0001385200000000 ] - [ -0.0008138400000000, -0.0003335900000000, -0.0004318300000000 ] - [ 0.0002318500000000, -0.0005636700000000, 0.0001308900000000 ] - [ 0.0004584400000000, -0.0000760300000000, 0.0001796500000000 ] - [ 0.0003769800000000, -0.0005024100000000, -0.0010258200000000 ] - [ 0.0000607200000000, -0.0016380800000000, 0.0003416000000000 ] - [ -0.0006842200000000, 0.0000336500000000, 0.0000039700000000 ] - [ 0.0005568500000000, -0.0004780200000000, 0.0000083500000000 ] - [ -0.1546608100000000, 0.4030267000000000, -0.0543425300000000 ] - [ 0.0003530100000000, 0.0000929400000000, -0.0000158000000000 ] - [ 0.0011871000000000, -0.0003299400000000, 0.0009899200000000 ] - [ -0.0006778000000000, -0.0000153100000000, 0.0000022400000000 ] - [ 0.0001343800000000, 0.0000015800000000, 0.0000215300000000 ] - [ 0.0017433100000000, -0.0037864300000000, -0.0027955300000000 ] - [ 0.0003604100000000, -0.0001043700000000, -0.0000107100000000 ] - [ -0.0001592400000000, -0.0000099800000000, 0.0000989100000000 ] - [ 0.0005812100000000, 0.0000098300000000, 0.0003442600000000 ] - [ -0.0002152900000000, 0.0006039700000000, 0.0010313100000000 ] - [ -0.0003045900000000, -0.0002484400000000, 0.0002306300000000 ] - [ -0.0007243600000000, -0.0010722400000000, -0.0008652000000000 ] - [ 0.0004815500000000, 0.0001086300000000, 0.0001505200000000 ] - [ -0.0004554000000000, -0.0000691900000000, -0.0001312200000000 ] - [ 0.0076957000000000, -0.1105827900000000, 0.0009008000000000 ] - [ 0.0001061400000000, -0.0000155800000000, 0.0001861000000000 ] - [ -0.0002919500000000, -0.0000006900000000, -0.0000947400000000 ] - [ 0.0003536100000000, -0.0000514900000000, -0.0001177800000000 ] - [ 0.0005569000000000, -0.0000020200000000, 0.0001011200000000 ] - [ 0.0003491300000000, -0.0000006700000000, 0.0001609700000000 ] - [ 0.0000209500000000, -0.0000611900000000, 0.0000319800000000 ] - [ 0.0002375100000000, -0.0000036300000000, 0.0003260900000000 ] - [ -0.0000744800000000, 0.0003843700000000, -0.0000238200000000 ] - [ 0.0000005300000000, 0.0000545700000000, 0.0000314900000000 ] - [ -0.0000748500000000, -0.0003866300000000, -0.0000270200000000 ] - [ 0.0004558400000000, -0.0000022400000000, 0.0003107000000000 ] - [ 0.0003615500000000, 0.0000534900000000, -0.0001180000000000 ] - [ 0.0001567300000000, -0.0003978200000000, 0.0000637800000000 ] - [ -0.0001707500000000, 0.0001654300000000, -0.0000291500000000 ] - [ 0.0003138500000000, -0.0000016200000000, -0.0003186200000000 ] - [ 0.0008494000000000, -0.0000865800000000, 0.0002888000000000 ] - [ -0.0005249500000000, -0.0010450100000000, 0.0005674200000000 ] - [ -0.0005107200000000, -0.0000109400000000, -0.0002806700000000 ] - [ -0.0001707200000000, -0.0001662300000000, -0.0000297100000000 ] - [ -0.0000960900000000, 0.0000366800000000, 0.0000808000000000 ] - [ 0.0013921900000000, 0.0000005700000000, 0.0001311600000000 ] - [ 0.0009655000000000, 0.0005688800000000, 0.0002546700000000 ] - [ 0.0008674900000000, 0.0001302700000000, -0.0000712200000000 ] - [ 0.0008168100000000, -0.0000003000000000, 0.0002875300000000 ] - [ 0.0001568200000000, 0.0003972400000000, 0.0000631500000000 ] - [ 0.0001062200000000, 0.0000143500000000, 0.0001857000000000 ] - [ -0.0005106800000000, 0.0000090700000000, -0.0002806400000000 ] - [ 0.0004550000000000, 0.0000016500000000, 0.0003147900000000 ] - [ -0.0007207400000000, -0.0000009500000000, -0.0001646500000000 ] - [ 0.0008501000000000, 0.0000855300000000, 0.0002880400000000 ] - [ 0.0000000800000000, -0.0000190000000000, -0.0006179500000000 ] - [ 0.0005233400000000, 0.0000940500000000, 0.0000986400000000 ] - [ -0.0027808500000000, -0.0028271100000000, -0.0002501900000000 ] - [ -0.0009892500000000, 0.0003987500000000, -0.0008273000000000 ] - [ 0.0002345600000000, 0.0000042900000000, -0.0004620100000000 ] - [ 0.0004677200000000, -0.0000132400000000, 0.0002171500000000 ] - [ 0.0000784300000000, -0.0000007000000000, 0.0001169200000000 ] - [ -0.0000650800000000, -0.0000003900000000, -0.0002010200000000 ]- atom: 56 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0010599000000000, -0.0004573200000000, 0.0055938300000000 ] - [ 0.0001988500000000, -0.0003346900000000, 0.0030013200000000 ] - [ -0.0000060200000000, -0.0034382300000000, 0.0079435000000000 ] - [ -0.0004969400000000, -0.0000323200000000, -0.0019263100000000 ] - [ 0.0004828300000000, 0.0002985400000000, -0.0032290100000000 ] - [ -0.0000895300000000, -0.0000070300000000, -0.0013894300000000 ] - [ -0.0004163400000000, 0.0000015800000000, 0.0006092200000000 ] - [ -0.0004604200000000, 0.0000006900000000, 0.0007297800000000 ] - [ -0.0001880600000000, 0.0000005200000000, -0.0000010800000000 ] - [ -0.0002691900000000, 0.0000006200000000, -0.0003396700000000 ] - [ -0.0001376500000000, -0.0000001100000000, -0.0001945700000000 ] - [ -0.0000982500000000, 0.0000009800000000, -0.0005344100000000 ] - [ 0.0022811500000000, -0.0000696600000000, -0.0007579200000000 ] - [ 0.0021088900000000, 0.0000964900000000, -0.0036070300000000 ] - [ -0.0022577500000000, -0.0001730300000000, -0.0010857500000000 ] - [ 0.0009290300000000, 0.0002706700000000, 0.0082268900000000 ] - [ -0.0009621800000000, -0.0000641100000000, -0.0008802900000000 ] - [ -0.0009359400000000, -0.0000027000000000, 0.0002623000000000 ] - [ 0.0008171700000000, -0.0000002200000000, -0.0003987900000000 ] - [ -0.0000682800000000, 0.0000008600000000, 0.0008210600000000 ] - [ 0.0005018500000000, -0.0000191200000000, 0.0001738300000000 ] - [ -0.0017304000000000, -0.0000028800000000, -0.0005525400000000 ] - [ 0.0050566700000000, -0.0017687200000000, -0.0001693500000000 ] - [ -0.0006772100000000, 0.0000238400000000, -0.0006659400000000 ] - [ -0.0007709000000000, 0.0001184700000000, -0.0003077100000000 ] - [ 0.0023063000000000, 0.0000419700000000, 0.0008472800000000 ] - [ -0.0004234400000000, -0.0000087300000000, -0.0001712000000000 ] - [ -0.0011286400000000, 0.0017690300000000, -0.0001561300000000 ] - [ 0.0130336700000000, -0.0271613000000000, 0.0836653400000000 ] - [ -0.0018296400000000, 0.0007393800000000, 0.0001911700000000 ] - [ -0.0012143500000000, 0.0007899700000000, -0.0003289800000000 ] - [ -0.0005481600000000, -0.0000021600000000, -0.0001940400000000 ] - [ -0.0006732800000000, 0.0000060400000000, -0.0002954000000000 ] - [ -0.0010802700000000, -0.0000036400000000, -0.0007210300000000 ] - [ 0.0009512900000000, -0.0000022300000000, 0.0002747900000000 ] - [ -0.0006189500000000, 0.0000115100000000, -0.0001721100000000 ] - [ 0.0001541600000000, -0.0000000200000000, 0.0002723800000000 ] - [ 0.0010397800000000, -0.0000012000000000, 0.0003750900000000 ] - [ -0.0011021100000000, -0.0000058500000000, -0.0003596400000000 ] - [ 0.0000354500000000, -0.0000025000000000, 0.0002527900000000 ] - [ 0.0007669000000000, -0.0014256500000000, 0.0024466400000000 ] - [ -0.0002817000000000, 0.0000012800000000, 0.0009873200000000 ] - [ -0.0020743100000000, 0.0014340200000000, -0.0007489500000000 ] - [ -0.0005053000000000, 0.0000004800000000, 0.0006363000000000 ] - [ 0.0239702900000000, -0.0152793000000000, -0.0186485900000000 ] - [ -0.0013768500000000, 0.0003843200000000, -0.0004076200000000 ] - [ -0.0024512700000000, 0.0000431500000000, 0.0010111000000000 ] - [ 0.0003662900000000, 0.0006885000000000, 0.0004695700000000 ] - [ -0.0013492200000000, -0.0003647900000000, -0.0003791300000000 ] - [ 0.0003691000000000, -0.0006825500000000, 0.0004644500000000 ] - [ 0.0003190500000000, -0.0000128900000000, 0.0005618800000000 ] - [ -0.0021285700000000, 0.0000702500000000, 0.0008061800000000 ] - [ 0.0004132100000000, 0.0002594800000000, 0.0012930900000000 ] - [ -0.0001708000000000, 0.0004960000000000, 0.0010292000000000 ] - [ 0.0019049600000000, -0.0004580400000000, 0.0004126100000000 ] - [ -0.0351433900000000, 0.0442368100000000, -0.0651046000000000 ] - [ 0.0000174400000000, 0.0001081300000000, -0.0001956400000000 ] - [ 0.0024413400000000, -0.0010658200000000, 0.0006354200000000 ] - [ -0.0001650900000000, -0.0004973400000000, 0.0010273000000000 ] - [ -0.0003825100000000, -0.0000012000000000, 0.0001962900000000 ] - [ -0.0026165100000000, 0.0041483700000000, 0.0049017100000000 ] - [ 0.0000079100000000, -0.0001018000000000, -0.0002047900000000 ] - [ -0.0002451300000000, -0.0000055000000000, -0.0004740500000000 ] - [ 0.0003084400000000, -0.0000069900000000, 0.0010183700000000 ] - [ 0.0006462200000000, -0.0001160900000000, 0.0010628700000000 ] - [ 0.0001899100000000, 0.0001215300000000, 0.0013165800000000 ] - [ 0.0007298200000000, -0.0006456000000000, -0.0007205700000000 ] - [ 0.0003040700000000, -0.0000077700000000, 0.0005843800000000 ] - [ 0.0004493100000000, -0.0000698900000000, 0.0001602800000000 ] - [ 0.0008368200000000, -0.0001114300000000, -0.0274829200000000 ] - [ 0.0000588000000000, 0.0000186900000000, 0.0002037200000000 ] - [ -0.0002779000000000, 0.0000000300000000, -0.0000439400000000 ] - [ 0.0004062800000000, -0.0000178100000000, -0.0001630900000000 ] - [ 0.0007969500000000, -0.0000008500000000, 0.0002581100000000 ] - [ 0.0002360000000000, 0.0000003900000000, 0.0000664500000000 ] - [ 0.0002282700000000, -0.0000397600000000, 0.0000291400000000 ] - [ 0.0003825000000000, -0.0000029000000000, 0.0003978100000000 ] - [ -0.0001272200000000, 0.0003889600000000, 0.0001572200000000 ] - [ 0.0002102900000000, 0.0000334200000000, 0.0000262500000000 ] - [ -0.0001272200000000, -0.0003864800000000, 0.0001574000000000 ] - [ 0.0005747600000000, 0.0000582500000000, 0.0004455300000000 ] - [ 0.0003975600000000, 0.0000146100000000, -0.0001613200000000 ] - [ 0.0000055300000000, -0.0004939900000000, 0.0000329400000000 ] - [ -0.0001735300000000, 0.0001963100000000, 0.0000648500000000 ] - [ -0.0001339300000000, -0.0000017900000000, -0.0002806500000000 ] - [ 0.0007586500000000, -0.0000581500000000, 0.0002103600000000 ] - [ 0.0023683200000000, 0.0000150600000000, -0.0001184900000000 ] - [ -0.0007058000000000, 0.0000814500000000, -0.0003962700000000 ] - [ -0.0001740400000000, -0.0001951800000000, 0.0000645800000000 ] - [ 0.0011144700000000, -0.0000388800000000, 0.0004830300000000 ] - [ 0.0013558400000000, -0.0000009200000000, 0.0001472200000000 ] - [ 0.0010523400000000, -0.0002611900000000, -0.0001966100000000 ] - [ 0.0011543900000000, -0.0001992900000000, 0.0000973300000000 ] - [ 0.0009572000000000, -0.0000000200000000, 0.0004168100000000 ] - [ 0.0000050900000000, 0.0004947800000000, 0.0000338100000000 ] - [ 0.0000593200000000, -0.0000185300000000, 0.0002030000000000 ] - [ -0.0007060100000000, -0.0000810000000000, -0.0003961900000000 ] - [ 0.0005758600000000, -0.0000557200000000, 0.0004417200000000 ] - [ -0.0009089500000000, -0.0000002600000000, -0.0000503000000000 ] - [ 0.0007602500000000, 0.0000627600000000, 0.0002104700000000 ] - [ 0.0000944500000000, 0.0000598300000000, -0.0011412800000000 ] - [ -0.0000072900000000, -0.0000661100000000, -0.0006192300000000 ] - [ -0.0027362300000000, -0.0022220800000000, -0.0034485700000000 ] - [ -0.0036976700000000, 0.0009488200000000, 0.0025216200000000 ] - [ -0.0000188800000000, 0.0000011700000000, -0.0006394400000000 ] - [ 0.0004245500000000, 0.0000122900000000, -0.0001668500000000 ] - [ 0.0000729700000000, 0.0000006100000000, -0.0000494000000000 ] - [ -0.0000596800000000, 0.0000003900000000, -0.0002546700000000 ]- atom: 56 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0010188500000000, 0.0004270900000000, -0.0052620500000000 ] - [ -0.0002185400000000, 0.0003331300000000, -0.0029518000000000 ] - [ 0.0000119000000000, 0.0031639900000000, -0.0077886700000000 ] - [ 0.0002059800000000, 0.0000322800000000, 0.0019255300000000 ] - [ -0.0001778300000000, -0.0003045800000000, 0.0032252500000000 ] - [ 0.0000947600000000, 0.0000066100000000, 0.0013715300000000 ] - [ 0.0003653500000000, -0.0000021600000000, -0.0002836700000000 ] - [ 0.0004538300000000, -0.0000008100000000, -0.0007268200000000 ] - [ 0.0002238300000000, 0.0000003800000000, -0.0003195200000000 ] - [ -0.0000191700000000, 0.0000006300000000, 0.0003471300000000 ] - [ 0.0004176700000000, -0.0000000200000000, 0.0001817000000000 ] - [ 0.0000911400000000, -0.0000007700000000, 0.0005325300000000 ] - [ -0.0015883100000000, 0.0000777200000000, -0.0002190200000000 ] - [ -0.0027678100000000, -0.0001010900000000, 0.0045464300000000 ] - [ 0.0021375200000000, 0.0001703200000000, -0.0001327000000000 ] - [ -0.0009423500000000, -0.0002783700000000, -0.0071312600000000 ] - [ 0.0016333400000000, 0.0000679300000000, -0.0000985100000000 ] - [ 0.0002323100000000, 0.0000008100000000, 0.0007032400000000 ] - [ -0.0009101600000000, -0.0000032100000000, -0.0008055500000000 ] - [ 0.0001615700000000, 0.0000018900000000, 0.0004027500000000 ] - [ -0.0003610400000000, 0.0000173600000000, -0.0001650400000000 ] - [ -0.0001162400000000, -0.0000000700000000, 0.0000386100000000 ] - [ -0.0054195300000000, 0.0017897900000000, -0.0003818100000000 ] - [ -0.0003748900000000, -0.0000339300000000, -0.0002286700000000 ] - [ 0.0025944800000000, -0.0001212100000000, 0.0008109700000000 ] - [ -0.0024153900000000, -0.0000447100000000, -0.0008407900000000 ] - [ 0.0014706100000000, 0.0000116000000000, 0.0010625500000000 ] - [ 0.0030351000000000, -0.0017496800000000, 0.0008075900000000 ] - [ -0.0140843600000000, 0.0255179100000000, -0.0836053600000000 ] - [ 0.0021865600000000, -0.0007257600000000, 0.0003486100000000 ] - [ 0.0013310300000000, -0.0007911500000000, 0.0003291600000000 ] - [ -0.0012835100000000, 0.0000071500000000, -0.0003155500000000 ] - [ 0.0002843800000000, -0.0000028700000000, -0.0002435400000000 ] - [ 0.0000138100000000, -0.0000000300000000, -0.0001809600000000 ] - [ 0.0008662000000000, -0.0000010900000000, 0.0002312800000000 ] - [ 0.0004696700000000, -0.0000093500000000, 0.0001619200000000 ] - [ 0.0008815700000000, 0.0000009000000000, 0.0006157300000000 ] - [ 0.0008782100000000, 0.0000063600000000, 0.0002799600000000 ] - [ -0.0008105500000000, 0.0000039400000000, -0.0002926100000000 ] - [ 0.0003217200000000, -0.0000039000000000, 0.0002860700000000 ] - [ -0.0009018800000000, 0.0014086800000000, -0.0020709000000000 ] - [ -0.0008227500000000, -0.0000010600000000, -0.0013835900000000 ] - [ 0.0022239400000000, -0.0014454700000000, 0.0004137400000000 ] - [ 0.0008478700000000, -0.0000007800000000, -0.0005541100000000 ] - [ -0.0236469300000000, 0.0150662600000000, 0.0191977100000000 ] - [ 0.0008675500000000, -0.0004359500000000, 0.0004059400000000 ] - [ 0.0023215500000000, -0.0000426600000000, -0.0004833000000000 ] - [ -0.0003162500000000, 0.0002442100000000, -0.0004644500000000 ] - [ 0.0008403600000000, 0.0004173000000000, 0.0003784000000000 ] - [ -0.0003194100000000, -0.0002501900000000, -0.0004590500000000 ] - [ 0.0003673400000000, -0.0001883600000000, -0.0003395100000000 ] - [ 0.0022840300000000, -0.0000844900000000, -0.0011700300000000 ] - [ -0.0004552600000000, -0.0011813400000000, -0.0012658400000000 ] - [ -0.0005189500000000, -0.0002921000000000, -0.0012400000000000 ] - [ -0.0021016900000000, 0.0004532900000000, -0.0006258100000000 ] - [ 0.0355913800000000, -0.0415744700000000, 0.0641741900000000 ] - [ 0.0004777800000000, -0.0000459500000000, 0.0001903400000000 ] - [ -0.0037219800000000, 0.0011601300000000, -0.0011625200000000 ] - [ -0.0005239300000000, 0.0002934800000000, -0.0012389900000000 ] - [ 0.0000365200000000, 0.0000017600000000, -0.0002665900000000 ] - [ 0.0045052800000000, -0.0042371700000000, -0.0046742100000000 ] - [ 0.0004873300000000, 0.0000403200000000, 0.0001991100000000 ] - [ 0.0003477200000000, 0.0000058600000000, -0.0000437700000000 ] - [ 0.0007932100000000, 0.0000068600000000, -0.0006144900000000 ] - [ -0.0006932500000000, 0.0010436500000000, -0.0010391900000000 ] - [ -0.0003329800000000, -0.0001231400000000, -0.0009615300000000 ] - [ -0.0020340000000000, 0.0005304200000000, 0.0001793000000000 ] - [ 0.0003813000000000, 0.0002102200000000, -0.0003613900000000 ] - [ -0.0023289600000000, 0.0000684000000000, -0.0004539400000000 ] - [ 0.0005543200000000, -0.0002626900000000, 0.0280147200000000 ] - [ -0.0002040200000000, -0.0000136000000000, 0.0001440000000000 ] - [ -0.0008183300000000, -0.0000001200000000, -0.0003512900000000 ] - [ -0.0002550400000000, 0.0000157500000000, -0.0001822800000000 ] - [ -0.0004356400000000, 0.0000000400000000, -0.0001811500000000 ] - [ -0.0000240300000000, 0.0000006100000000, 0.0001521100000000 ] - [ -0.0007178300000000, -0.0000207300000000, -0.0000227700000000 ] - [ -0.0004830900000000, 0.0000031700000000, 0.0001257700000000 ] - [ 0.0001719600000000, 0.0005411500000000, -0.0001522000000000 ] - [ -0.0006995900000000, 0.0000280600000000, -0.0000197600000000 ] - [ 0.0001725800000000, -0.0005429400000000, -0.0001532500000000 ] - [ 0.0001127200000000, -0.0002565400000000, -0.0002212300000000 ] - [ -0.0002480000000000, -0.0000151700000000, -0.0001828700000000 ] - [ -0.0000479800000000, -0.0004342200000000, -0.0000338100000000 ] - [ -0.0005064800000000, 0.0000073100000000, -0.0002812600000000 ] - [ -0.0000702400000000, 0.0000014800000000, 0.0000621900000000 ] - [ 0.0005557400000000, -0.0000490100000000, 0.0003219800000000 ] - [ -0.0018656500000000, 0.0000352000000000, 0.0001149900000000 ] - [ -0.0006059200000000, 0.0000287600000000, -0.0001392200000000 ] - [ -0.0005064700000000, -0.0000067900000000, -0.0002815000000000 ] - [ -0.0014529000000000, 0.0000411500000000, -0.0005527000000000 ] - [ 0.0005485800000000, 0.0000013500000000, 0.0001474500000000 ] - [ -0.0005393900000000, 0.0002051700000000, 0.0001924800000000 ] - [ -0.0010321500000000, 0.0002001100000000, -0.0006146200000000 ] - [ 0.0001470600000000, 0.0000001600000000, -0.0000158000000000 ] - [ -0.0000482100000000, 0.0004347700000000, -0.0000341200000000 ] - [ -0.0002032200000000, 0.0000140900000000, 0.0001432100000000 ] - [ -0.0006065300000000, -0.0000316000000000, -0.0001385900000000 ] - [ 0.0001110900000000, 0.0002551300000000, -0.0002168900000000 ] - [ -0.0009785400000000, -0.0000002100000000, -0.0002414700000000 ] - [ 0.0005555500000000, 0.0000487000000000, 0.0003214300000000 ] - [ 0.0000139600000000, -0.0000602300000000, 0.0008298600000000 ] - [ 0.0004047500000000, 0.0000656500000000, 0.0009604400000000 ] - [ 0.0026187600000000, 0.0022006800000000, 0.0037093100000000 ] - [ 0.0032430700000000, -0.0009314600000000, -0.0028195800000000 ] - [ 0.0001259700000000, -0.0000013500000000, 0.0003259700000000 ] - [ -0.0000238300000000, -0.0000121200000000, 0.0005053400000000 ] - [ -0.0001748700000000, -0.0000002500000000, 0.0003511600000000 ] - [ -0.0003347800000000, -0.0000002000000000, -0.0000862400000000 ]- atom: 61 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0070948100000000, 0.0000000000000000, -0.0142269200000000 ] - [ -0.0025472000000000, 0.0000000000000000, 0.0035400000000000 ] - [ 0.0054068900000000, 0.0000000000000000, 0.0044146400000000 ] - [ 0.0039678500000000, 0.0000000000000000, 0.0040979500000000 ] - [ 0.0229826700000000, 0.0000000000000000, 0.0003522300000000 ] - [ -0.0015404300000000, 0.0000000000000000, -0.0044987300000000 ] - [ -0.0040552400000000, 0.0000000000000000, 0.0006115700000000 ] - [ -0.0026275100000000, 0.0000000000000000, -0.0032464900000000 ] - [ -0.0029193500000000, 0.0000000000000000, -0.0010209300000000 ] - [ -0.0030181600000000, 0.0000000000000000, -0.0008152100000000 ] - [ -0.0037880800000000, 0.0000000000000000, -0.0000133100000000 ] - [ -0.0031452900000000, 0.0000000000000000, 0.0019801500000000 ] - [ -0.0213018800000000, 0.0000000000000000, 0.0031882600000000 ] - [ 0.0033396500000000, 0.0000000000000000, 0.0012732100000000 ] - [ 0.0013028800000000, 0.0000000000000000, -0.0023430900000000 ] - [ 0.0115704300000000, 0.0000000000000000, -0.0012401800000000 ] - [ -0.0074191800000000, 0.0000000000000000, -0.0015109000000000 ] - [ -0.0039342100000000, 0.0000000000000000, 0.0002338900000000 ] - [ -0.0028361500000000, 0.0000000000000000, -0.0001443600000000 ] - [ -0.0072141900000000, 0.0000000000000000, -0.0001033400000000 ] - [ -0.0068403200000000, 0.0000000000000000, -0.0025664400000000 ] - [ -0.0018164300000000, 0.0000000000000000, -0.0003926700000000 ] - [ 0.3893851100000000, 0.0000000000000000, 0.0100291500000000 ] - [ 0.0045003900000000, 0.0000000000000000, 0.0041151800000000 ] - [ -0.0048306200000000, 0.0000000000000000, -0.0019256400000000 ] - [ 0.0010271800000000, 0.0000000000000000, 0.0008653400000000 ] - [ 0.0042665800000000, 0.0000000000000000, 0.0008732500000000 ] - [ 0.0022998000000000, 0.0000000000000000, 0.0003930500000000 ] - [ 0.0065904400000000, 0.0000000000000000, 0.0020382300000000 ] - [ 0.0059922000000000, 0.0000000000000000, 0.0006900500000000 ] - [ -0.0063383000000000, 0.0000000000000000, -0.0020100200000000 ] - [ -0.0022817400000000, 0.0000000000000000, -0.0007307100000000 ] - [ -0.0056919600000000, 0.0000000000000000, -0.0005186200000000 ] - [ -0.0045347800000000, 0.0000000000000000, -0.0022454200000000 ] - [ -0.0046441100000000, 0.0000000000000000, -0.0015642300000000 ] - [ -0.0022316900000000, 0.0000000000000000, -0.0007338000000000 ] - [ -0.0025943800000000, 0.0000000000000000, -0.0008369600000000 ] - [ -0.0013976400000000, 0.0000000000000000, -0.0003281600000000 ] - [ -0.0045981700000000, 0.0000000000000000, -0.0015352300000000 ] - [ -0.0033893300000000, 0.0000000000000000, 0.0000760300000000 ] - [ -0.0030891200000000, 0.0006783500000000, -0.0006556100000000 ] - [ -0.0064018100000000, 0.0000000000000000, 0.0011549800000000 ] - [ 0.0729358200000000, -0.0467200200000000, 0.0036559500000000 ] - [ 0.0003718700000000, 0.0000000000000000, 0.0013348500000000 ] - [ -0.0038862600000000, 0.0000000000000000, -0.0038370400000000 ] - [ -0.0004727700000000, 0.0003179600000000, -0.0007420000000000 ] - [ -0.0010622400000000, 0.0000000000000000, -0.0001996400000000 ] - [ 0.0001891100000000, 0.0006862100000000, -0.0004554600000000 ] - [ -0.0004727700000000, -0.0003179600000000, -0.0007420000000000 ] - [ 0.0001891100000000, -0.0006862100000000, -0.0004554600000000 ] - [ 0.0002293700000000, -0.0023759500000000, -0.0043344300000000 ] - [ 0.0729358200000000, 0.0467200200000000, 0.0036559500000000 ] - [ 0.0052677300000000, 0.0059534200000000, 0.0055693800000000 ] - [ -0.0027173900000000, -0.0004818500000000, -0.0003081100000000 ] - [ -0.0011897500000000, 0.0000000000000000, -0.0000376300000000 ] - [ -0.0059821200000000, -0.0008279500000000, -0.0038781600000000 ] - [ 0.0047976800000000, -0.0007583800000000, 0.0017931700000000 ] - [ -0.0026125200000000, -0.0004301400000000, 0.0009698800000000 ] - [ -0.0027173900000000, 0.0004818500000000, -0.0003081100000000 ] - [ 0.0057323900000000, 0.0000000000000000, -0.0011240800000000 ] - [ -0.5664095600000000, 0.0000000000000000, -0.0054666400000000 ] - [ 0.0047976800000000, 0.0007583800000000, 0.0017931700000000 ] - [ 0.0063189700000000, 0.0000000000000000, 0.0022259100000000 ] - [ -0.0047061700000000, 0.0000000000000000, -0.0027114200000000 ] - [ 0.0052677300000000, -0.0059534200000000, 0.0055693800000000 ] - [ -0.0030891200000000, -0.0006783500000000, -0.0006556100000000 ] - [ -0.0026125200000000, 0.0004301400000000, 0.0009698800000000 ] - [ 0.0002293700000000, 0.0023759500000000, -0.0043344300000000 ] - [ -0.0052450700000000, 0.0000000000000000, -0.0005728000000000 ] - [ -0.0059821200000000, 0.0008279500000000, -0.0038781600000000 ] - [ 0.0018603900000000, -0.0003744300000000, 0.0004650500000000 ] - [ 0.0020497800000000, 0.0000000000000000, 0.0003892300000000 ] - [ 0.0031255300000000, -0.0005451500000000, 0.0000735200000000 ] - [ 0.0013837300000000, 0.0000000000000000, -0.0005404000000000 ] - [ 0.0030278400000000, 0.0000000000000000, 0.0010406900000000 ] - [ 0.0007380400000000, -0.0004115600000000, 0.0006425400000000 ] - [ 0.0016607400000000, 0.0000000000000000, 0.0005907100000000 ] - [ 0.0009235500000000, 0.0005790600000000, 0.0005061100000000 ] - [ 0.0007380400000000, 0.0004115600000000, 0.0006425400000000 ] - [ 0.0009235500000000, -0.0005790600000000, 0.0005061100000000 ] - [ 0.0022865300000000, 0.0008440800000000, 0.0013929500000000 ] - [ 0.0031255300000000, 0.0005451500000000, 0.0000735200000000 ] - [ 0.0025910800000000, 0.0006344900000000, 0.0004378300000000 ] - [ 0.0012907400000000, 0.0006040000000000, 0.0001607400000000 ] - [ 0.0017638300000000, 0.0000000000000000, 0.0000704400000000 ] - [ 0.0028979700000000, -0.0005038600000000, 0.0008592300000000 ] - [ 0.0059406200000000, 0.0009467700000000, 0.0004700000000000 ] - [ 0.0008013900000000, -0.0001783300000000, -0.0001085100000000 ] - [ 0.0012907400000000, -0.0006040000000000, 0.0001607400000000 ] - [ 0.0075530000000000, 0.0000000000000000, 0.0021115000000000 ] - [ 0.0059926800000000, 0.0000000000000000, -0.0003175300000000 ] - [ 0.0059406200000000, -0.0009467700000000, 0.0004700000000000 ] - [ 0.0047361100000000, 0.0000000000000000, 0.0009617100000000 ] - [ 0.0039140600000000, 0.0000000000000000, 0.0011208100000000 ] - [ 0.0025910800000000, -0.0006344900000000, 0.0004378300000000 ] - [ 0.0018603900000000, 0.0003744300000000, 0.0004650500000000 ] - [ 0.0008013900000000, 0.0001783300000000, -0.0001085100000000 ] - [ 0.0022865300000000, -0.0008440800000000, 0.0013929500000000 ] - [ 0.0020754500000000, 0.0000000000000000, -0.0002034200000000 ] - [ 0.0028979700000000, 0.0005038600000000, 0.0008592300000000 ] - [ 0.0004754700000000, 0.0000000000000000, 0.0021143100000000 ] - [ 0.0021323700000000, 0.0000000000000000, 0.0053724500000000 ] - [ 0.0008218400000000, 0.0000000000000000, -0.0082357000000000 ] - [ -0.0010082500000000, 0.0000000000000000, -0.0020344900000000 ] - [ 0.0014935200000000, 0.0000000000000000, -0.0011546400000000 ] - [ 0.0019299700000000, 0.0000000000000000, -0.0005221800000000 ] - [ 0.0013869600000000, 0.0000000000000000, 0.0009589600000000 ] - [ 0.0008946900000000, 0.0000000000000000, 0.0002620800000000 ]- atom: 61 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0070792400000000, 0.0000000000000000, 0.0145014000000000 ] - [ 0.0025443000000000, 0.0000000000000000, -0.0035660400000000 ] - [ -0.0053566300000000, 0.0000000000000000, -0.0047345000000000 ] - [ -0.0041978800000000, 0.0000000000000000, -0.0040921600000000 ] - [ -0.0226569800000000, 0.0000000000000000, -0.0004368000000000 ] - [ 0.0015084200000000, 0.0000000000000000, 0.0045163900000000 ] - [ 0.0040070600000000, 0.0000000000000000, -0.0003003200000000 ] - [ 0.0026213700000000, 0.0000000000000000, 0.0032309100000000 ] - [ 0.0029569700000000, 0.0000000000000000, 0.0006908100000000 ] - [ 0.0027213200000000, 0.0000000000000000, 0.0008312400000000 ] - [ 0.0040730900000000, 0.0000000000000000, 0.0000072700000000 ] - [ 0.0031458400000000, 0.0000000000000000, -0.0019708600000000 ] - [ 0.0218651000000000, 0.0000000000000000, -0.0041185700000000 ] - [ -0.0040447400000000, 0.0000000000000000, -0.0003582100000000 ] - [ -0.0013740800000000, 0.0000000000000000, 0.0010975800000000 ] - [ -0.0126235500000000, 0.0000000000000000, 0.0031699700000000 ] - [ 0.0081131400000000, 0.0000000000000000, 0.0005596100000000 ] - [ 0.0032279400000000, 0.0000000000000000, 0.0007368500000000 ] - [ 0.0027176000000000, 0.0000000000000000, -0.0010847800000000 ] - [ 0.0072902300000000, 0.0000000000000000, 0.0013281300000000 ] - [ 0.0069651300000000, 0.0000000000000000, 0.0025674600000000 ] - [ 0.0000029400000000, 0.0000000000000000, -0.0001101100000000 ] - [ -0.3562302200000000, 0.0000000000000000, -0.0089969900000000 ] - [ -0.0054819500000000, 0.0000000000000000, -0.0049596100000000 ] - [ 0.0066273100000000, 0.0000000000000000, 0.0024173300000000 ] - [ -0.0011969000000000, 0.0000000000000000, -0.0008870800000000 ] - [ -0.0033921800000000, 0.0000000000000000, -0.0000375400000000 ] - [ -0.0003844500000000, 0.0000000000000000, 0.0002584900000000 ] - [ -0.0086087300000000, 0.0000000000000000, -0.0027424600000000 ] - [ -0.0055873300000000, 0.0000000000000000, -0.0001485500000000 ] - [ 0.0065134500000000, 0.0000000000000000, 0.0020282000000000 ] - [ 0.0004250600000000, 0.0000000000000000, 0.0002163400000000 ] - [ 0.0053131800000000, 0.0000000000000000, -0.0000230200000000 ] - [ 0.0034675700000000, 0.0000000000000000, 0.0013429100000000 ] - [ 0.0064738500000000, 0.0000000000000000, 0.0020729700000000 ] - [ 0.0020801700000000, 0.0000000000000000, 0.0007216000000000 ] - [ 0.0036264200000000, 0.0000000000000000, 0.0017247000000000 ] - [ 0.0032978100000000, 0.0000000000000000, 0.0009763300000000 ] - [ 0.0026879300000000, 0.0000000000000000, 0.0008821000000000 ] - [ 0.0037583600000000, 0.0000000000000000, 0.0004655600000000 ] - [ 0.0029309500000000, -0.0006687100000000, 0.0010083100000000 ] - [ 0.0053496800000000, 0.0000000000000000, -0.0013607100000000 ] - [ -0.0714136700000000, 0.0456685600000000, -0.0039031600000000 ] - [ 0.0000088800000000, 0.0000000000000000, -0.0012513800000000 ] - [ 0.0041687500000000, 0.0000000000000000, 0.0040872200000000 ] - [ -0.0000062200000000, -0.0003820900000000, 0.0007566100000000 ] - [ 0.0009804200000000, 0.0000000000000000, 0.0007401900000000 ] - [ -0.0001510800000000, 0.0002436500000000, 0.0004577300000000 ] - [ -0.0000062200000000, 0.0003820900000000, 0.0007566100000000 ] - [ -0.0001510800000000, -0.0002436500000000, 0.0004577300000000 ] - [ 0.0004372700000000, 0.0021503400000000, 0.0045165500000000 ] - [ -0.0714136700000000, -0.0456685600000000, -0.0039031600000000 ] - [ -0.0053554900000000, -0.0069660900000000, -0.0056385900000000 ] - [ 0.0020903100000000, 0.0007201900000000, 0.0001200700000000 ] - [ 0.0009665000000000, 0.0000000000000000, -0.0001815400000000 ] - [ 0.0073637000000000, 0.0006763600000000, 0.0043662000000000 ] - [ -0.0042845600000000, 0.0008145800000000, -0.0017896500000000 ] - [ 0.0012881400000000, 0.0005404300000000, -0.0014947400000000 ] - [ 0.0020903100000000, -0.0007201900000000, 0.0001200700000000 ] - [ -0.0060738000000000, 0.0000000000000000, 0.0010420300000000 ] - [ 0.5332405800000000, 0.0000000000000000, 0.0033827300000000 ] - [ -0.0042845600000000, -0.0008145800000000, -0.0017896500000000 ] - [ -0.0061899400000000, 0.0000000000000000, -0.0027424500000000 ] - [ 0.0057219100000000, 0.0000000000000000, 0.0030888600000000 ] - [ -0.0053554900000000, 0.0069660900000000, -0.0056385900000000 ] - [ 0.0029309500000000, 0.0006687100000000, 0.0010083100000000 ] - [ 0.0012881400000000, -0.0005404300000000, -0.0014947400000000 ] - [ 0.0004372700000000, -0.0021503400000000, 0.0045165500000000 ] - [ 0.0033183300000000, 0.0000000000000000, 0.0002805500000000 ] - [ 0.0073637000000000, -0.0006763600000000, 0.0043662000000000 ] - [ -0.0019993500000000, 0.0003763800000000, -0.0001167900000000 ] - [ -0.0031376300000000, 0.0000000000000000, -0.0007839900000000 ] - [ -0.0029772500000000, 0.0005399000000000, -0.0004214400000000 ] - [ -0.0010358800000000, 0.0000000000000000, 0.0006113100000000 ] - [ -0.0028068000000000, 0.0000000000000000, -0.0008182500000000 ] - [ -0.0012302000000000, 0.0003473300000000, -0.0006339700000000 ] - [ -0.0017594300000000, 0.0000000000000000, -0.0000673600000000 ] - [ -0.0008673200000000, 0.0003552300000000, -0.0004958200000000 ] - [ -0.0012302000000000, -0.0003473300000000, -0.0006339700000000 ] - [ -0.0008673200000000, -0.0003552300000000, -0.0004958200000000 ] - [ -0.0016006200000000, -0.0010496100000000, -0.0011794300000000 ] - [ -0.0029772500000000, -0.0005399000000000, -0.0004214400000000 ] - [ -0.0026286200000000, -0.0015625500000000, -0.0004420400000000 ] - [ -0.0019697700000000, -0.0003999100000000, -0.0003802900000000 ] - [ -0.0019717600000000, 0.0000000000000000, -0.0002857900000000 ] - [ -0.0015786000000000, 0.0003912300000000, -0.0003252800000000 ] - [ -0.0054770700000000, -0.0009017600000000, -0.0004861400000000 ] - [ -0.0021104300000000, 0.0002880600000000, -0.0004214000000000 ] - [ -0.0019697700000000, 0.0003999100000000, -0.0003802900000000 ] - [ -0.0079018600000000, 0.0000000000000000, -0.0021915000000000 ] - [ -0.0040860800000000, 0.0000000000000000, 0.0006111400000000 ] - [ -0.0054770700000000, 0.0009017600000000, -0.0004861400000000 ] - [ -0.0046512400000000, 0.0000000000000000, -0.0014929100000000 ] - [ -0.0028124800000000, 0.0000000000000000, -0.0007241700000000 ] - [ -0.0026286200000000, 0.0015625500000000, -0.0004420400000000 ] - [ -0.0019993500000000, -0.0003763800000000, -0.0001167900000000 ] - [ -0.0021104300000000, -0.0002880600000000, -0.0004214000000000 ] - [ -0.0016006200000000, 0.0010496100000000, -0.0011794300000000 ] - [ -0.0039587400000000, 0.0000000000000000, -0.0000911200000000 ] - [ -0.0015786000000000, -0.0003912300000000, -0.0003252800000000 ] - [ -0.0003636200000000, 0.0000000000000000, -0.0024042500000000 ] - [ -0.0017220400000000, 0.0000000000000000, -0.0050010500000000 ] - [ -0.0009335100000000, 0.0000000000000000, 0.0086130900000000 ] - [ 0.0006090800000000, 0.0000000000000000, 0.0016996000000000 ] - [ -0.0013800400000000, 0.0000000000000000, 0.0008569400000000 ] - [ -0.0015243600000000, 0.0000000000000000, 0.0008622500000000 ] - [ -0.0014949200000000, 0.0000000000000000, -0.0006494200000000 ] - [ -0.0012969500000000, 0.0000000000000000, -0.0006000400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000229400000000, -0.0027782200000000, 0.0001915900000000 ] - [ 0.0000023500000000, -0.0000013800000000, -0.0000033200000000 ] - [ 0.0000022600000000, 0.0002919100000000, -0.0001581200000000 ] - [ -0.0001541400000000, 0.0001093900000000, 0.0000040800000000 ] - [ 0.0001248600000000, -0.0037567000000000, -0.0001330200000000 ] - [ 0.0000100000000000, 0.0001456200000000, 0.0000034300000000 ] - [ -0.0000085000000000, -0.0000001200000000, 0.0001589900000000 ] - [ 0.0000089500000000, -0.0000159300000000, 0.0000037600000000 ] - [ 0.0000193200000000, -0.0000008700000000, -0.0001577800000000 ] - [ -0.0001350000000000, 0.0000005900000000, 0.0000089100000000 ] - [ 0.0001483500000000, -0.0000005400000000, -0.0000077800000000 ] - [ 0.0000040500000000, -0.0000295500000000, -0.0000031900000000 ] - [ 0.0004125400000000, 0.0045674100000000, -0.0004984400000000 ] - [ -0.0003592000000000, 0.0000356600000000, 0.0004972500000000 ] - [ -0.0000383100000000, -0.0000040700000000, -0.0006019000000000 ] - [ 0.0000634200000000, 0.0026539700000000, 0.0005489000000000 ] - [ 0.0003658700000000, 0.0000248900000000, -0.0004812700000000 ] - [ -0.0003483100000000, -0.0000037300000000, 0.0004869800000000 ] - [ -0.0000328800000000, -0.0000005100000000, -0.0006057100000000 ] - [ 0.0000526500000000, 0.0000191600000000, 0.0006086500000000 ] - [ 0.0000904500000000, 0.0005860600000000, 0.0000109600000000 ] - [ -0.0009089300000000, 0.0000293800000000, -0.0002526200000000 ] - [ -0.0011710600000000, 0.0834876700000000, -0.0003381900000000 ] - [ -0.0005441600000000, -0.0015241000000000, -0.0004638100000000 ] - [ 0.0009355300000000, -0.0035363000000000, 0.0002620500000000 ] - [ -0.0000749800000000, -0.0000013300000000, -0.0000058100000000 ] - [ 0.0005155900000000, -0.0001864000000000, 0.0004476100000000 ] - [ 0.0009478500000000, -0.0000405200000000, 0.0003239400000000 ] - [ -0.0009650300000000, -0.0071271400000000, -0.0003242200000000 ] - [ 0.0001708100000000, 0.0000186200000000, 0.0002719800000000 ] - [ 0.0000802700000000, -0.0001917200000000, 0.0000064600000000 ] - [ -0.0009166900000000, 0.0000044000000000, -0.0002555000000000 ] - [ -0.0001855200000000, -0.0000003800000000, -0.0002705800000000 ] - [ -0.0005277200000000, -0.0000155700000000, -0.0004489400000000 ] - [ 0.0009328500000000, 0.0000088000000000, 0.0002602600000000 ] - [ -0.0000649100000000, 0.0000003700000000, -0.0000028500000000 ] - [ 0.0005282400000000, 0.0000071400000000, 0.0004488700000000 ] - [ 0.0009610700000000, -0.0000052900000000, 0.0003273400000000 ] - [ -0.0009456800000000, 0.0000137200000000, -0.0003224000000000 ] - [ 0.0001877100000000, -0.0000021900000000, 0.0002709900000000 ] - [ -0.0000616100000000, -0.0000191100000000, 0.0001823900000000 ] - [ -0.0005387600000000, 0.0006920600000000, -0.0002052700000000 ] - [ -0.0600905700000000, 0.0058257800000000, -0.0013010100000000 ] - [ 0.0001691000000000, -0.0000048700000000, 0.0000349900000000 ] - [ 0.0001128200000000, 0.0006529800000000, 0.0001169800000000 ] - [ -0.0002479400000000, -0.0000296700000000, 0.0000036400000000 ] - [ -0.0000516100000000, 0.0000025700000000, 0.0002620000000000 ] - [ 0.0000172500000000, 0.0004511500000000, 0.0000180500000000 ] - [ -0.0002467600000000, 0.0000295900000000, 0.0000033500000000 ] - [ 0.0000371000000000, -0.0004810700000000, -0.0000110900000000 ] - [ 0.0000318000000000, 0.0003789900000000, 0.0006113900000000 ] - [ 0.0606797100000000, 0.0056461400000000, 0.0009563800000000 ] - [ 0.0023464300000000, 0.0014547600000000, 0.0011575900000000 ] - [ -0.0005148100000000, 0.0002516600000000, -0.0002703200000000 ] - [ -0.0001017600000000, -0.0000046100000000, -0.0001101600000000 ] - [ -0.0011916500000000, 0.0037462000000000, 0.0043316700000000 ] - [ 0.0000214000000000, -0.0001172900000000, -0.0002161400000000 ] - [ -0.0006204900000000, 0.0001229400000000, -0.0003361800000000 ] - [ -0.0001729000000000, 0.0000406000000000, 0.0000394600000000 ] - [ -0.0001806200000000, 0.0000926300000000, -0.0000358800000000 ] - [ 0.0014499300000000, -0.0991919800000000, 0.0003309700000000 ] - [ 0.0004544800000000, -0.0001837400000000, 0.0002059000000000 ] - [ 0.0000368400000000, 0.0003457400000000, -0.0002670400000000 ] - [ 0.0005715400000000, 0.0004139500000000, 0.0002054300000000 ] - [ -0.0024091400000000, 0.0023833700000000, -0.0011644100000000 ] - [ -0.0000732200000000, -0.0000158400000000, 0.0001697300000000 ] - [ -0.0006749400000000, 0.0000126500000000, -0.0002008500000000 ] - [ 0.0006533600000000, 0.0005746900000000, -0.0003723200000000 ] - [ -0.0009382800000000, -0.0000041500000000, -0.0001447700000000 ] - [ 0.0025186600000000, 0.0038476500000000, -0.0037736400000000 ] - [ -0.0000800700000000, 0.0000038800000000, 0.0001734900000000 ] - [ -0.0005524700000000, -0.0000005500000000, -0.0001993800000000 ] - [ 0.0000668200000000, 0.0000017900000000, -0.0001756400000000 ] - [ 0.0001714900000000, -0.0000039600000000, 0.0000367800000000 ] - [ 0.0001001200000000, 0.0000023300000000, 0.0001082000000000 ] - [ -0.0002471400000000, -0.0000308600000000, 0.0000006800000000 ] - [ -0.0000588000000000, 0.0000000800000000, 0.0002599600000000 ] - [ 0.0000270600000000, 0.0004598900000000, 0.0000063500000000 ] - [ -0.0002465300000000, 0.0000321700000000, 0.0000016900000000 ] - [ 0.0000229900000000, -0.0004725600000000, -0.0000038500000000 ] - [ 0.0003487600000000, -0.0000961700000000, 0.0001098800000000 ] - [ 0.0000716800000000, -0.0000010000000000, -0.0001742700000000 ] - [ -0.0000234800000000, -0.0004595500000000, 0.0000172900000000 ] - [ -0.0003490500000000, 0.0001001400000000, -0.0001097500000000 ] - [ -0.0001060300000000, 0.0000002000000000, -0.0001089900000000 ] - [ 0.0006473000000000, -0.0000559300000000, 0.0002630600000000 ] - [ 0.0000751400000000, 0.0000205800000000, -0.0000198700000000 ] - [ -0.0006556200000000, 0.0000558100000000, -0.0002665100000000 ] - [ -0.0003435000000000, -0.0001010500000000, -0.0001119800000000 ] - [ -0.0001817100000000, 0.0009067700000000, -0.0000414700000000 ] - [ 0.0009383100000000, 0.0000017200000000, 0.0001487400000000 ] - [ 0.0004026300000000, -0.0000352200000000, 0.0000109400000000 ] - [ 0.0000446500000000, 0.0000522300000000, -0.0002641400000000 ] - [ 0.0005441200000000, 0.0000048500000000, 0.0001983800000000 ] - [ -0.0000362500000000, 0.0004755100000000, -0.0000204400000000 ] - [ -0.0000795100000000, -0.0000043000000000, 0.0001728100000000 ] - [ -0.0006548000000000, -0.0000536000000000, -0.0002653300000000 ] - [ 0.0003259900000000, 0.0001173200000000, 0.0001042400000000 ] - [ -0.0009498800000000, -0.0000004000000000, -0.0001458300000000 ] - [ 0.0006485000000000, 0.0000498600000000, 0.0002643500000000 ] - [ 0.0000583600000000, -0.0000233000000000, -0.0001574200000000 ] - [ 0.0001999900000000, -0.0006399800000000, 0.0001615000000000 ] - [ -0.0000595100000000, -0.0000478300000000, 0.0001689900000000 ] - [ -0.0002043200000000, 0.0000541300000000, -0.0001684700000000 ] - [ 0.0000564700000000, 0.0000004600000000, -0.0001512400000000 ] - [ 0.0002031700000000, -0.0000028600000000, 0.0001718200000000 ] - [ -0.0000626200000000, -0.0000059700000000, 0.0001492600000000 ] - [ -0.0002086500000000, -0.0000005900000000, -0.0001722100000000 ]- atom: 61 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0040235400000000, 0.0000000000000000, 0.0025077200000000 ] - [ 0.0016819600000000, 0.0000000000000000, -0.0019233200000000 ] - [ -0.0008359800000000, 0.0000000000000000, -0.0046153200000000 ] - [ 0.0015774500000000, 0.0000000000000000, -0.0017013700000000 ] - [ -0.0018483100000000, 0.0000000000000000, 0.0029129500000000 ] - [ -0.0017510000000000, 0.0000000000000000, 0.0009189200000000 ] - [ 0.0009380000000000, 0.0000000000000000, -0.0000690400000000 ] - [ 0.0002686800000000, 0.0000000000000000, 0.0004206500000000 ] - [ 0.0004721300000000, 0.0000000000000000, -0.0001677100000000 ] - [ 0.0000043200000000, 0.0000000000000000, 0.0001719300000000 ] - [ 0.0007484500000000, 0.0000000000000000, 0.0001525300000000 ] - [ 0.0006914600000000, 0.0000000000000000, -0.0001860900000000 ] - [ 0.0029631600000000, 0.0000000000000000, -0.0010545100000000 ] - [ -0.0012824700000000, 0.0000000000000000, -0.0044079200000000 ] - [ -0.0001592400000000, 0.0000000000000000, -0.0013954800000000 ] - [ -0.0080187400000000, 0.0000000000000000, 0.0138785700000000 ] - [ 0.0016318800000000, 0.0000000000000000, 0.0012706900000000 ] - [ 0.0002146900000000, 0.0000000000000000, 0.0003909900000000 ] - [ 0.0001948200000000, 0.0000000000000000, -0.0017311800000000 ] - [ 0.0011227000000000, 0.0000000000000000, 0.0008107000000000 ] - [ 0.0010663500000000, 0.0000000000000000, 0.0004213000000000 ] - [ -0.0004724800000000, 0.0000000000000000, -0.0001479400000000 ] - [ -0.0165455800000000, 0.0000000000000000, 0.0727800600000000 ] - [ 0.0013846400000000, 0.0000000000000000, 0.0005267600000000 ] - [ 0.0012961700000000, 0.0000000000000000, -0.0001426300000000 ] - [ -0.0010028300000000, 0.0000000000000000, -0.0006301400000000 ] - [ -0.0093508800000000, 0.0000000000000000, -0.0028825700000000 ] - [ 0.0000728300000000, 0.0000000000000000, 0.0000473500000000 ] - [ 0.0016103100000000, 0.0000000000000000, 0.0022682600000000 ] - [ 0.0000090900000000, 0.0000000000000000, 0.0001784900000000 ] - [ 0.0026168400000000, 0.0000000000000000, 0.0009051000000000 ] - [ -0.0019769700000000, 0.0000000000000000, -0.0006127000000000 ] - [ 0.0008052300000000, 0.0000000000000000, -0.0002230100000000 ] - [ -0.0000178100000000, 0.0000000000000000, -0.0002097900000000 ] - [ 0.0018392900000000, 0.0000000000000000, 0.0005734000000000 ] - [ 0.0002066500000000, 0.0000000000000000, 0.0000770000000000 ] - [ 0.0009933900000000, 0.0000000000000000, 0.0006394800000000 ] - [ 0.0013026400000000, 0.0000000000000000, 0.0004053800000000 ] - [ -0.0003755100000000, 0.0000000000000000, -0.0001378600000000 ] - [ 0.0005809400000000, 0.0000000000000000, 0.0002936200000000 ] - [ 0.0000817100000000, -0.0000864200000000, 0.0012076800000000 ] - [ 0.0018175500000000, 0.0000000000000000, 0.0121558000000000 ] - [ -0.0056036700000000, 0.0036899200000000, -0.0244093400000000 ] - [ 0.0012729000000000, 0.0000000000000000, 0.0002764900000000 ] - [ -0.0016072100000000, 0.0000000000000000, -0.0004774900000000 ] - [ 0.0001366000000000, -0.0001971300000000, 0.0006556700000000 ] - [ 0.0002859500000000, 0.0000000000000000, 0.0014426300000000 ] - [ -0.0002984600000000, 0.0004938000000000, 0.0002476800000000 ] - [ 0.0001366000000000, 0.0001971300000000, 0.0006556700000000 ] - [ -0.0002984600000000, -0.0004938000000000, 0.0002476800000000 ] - [ -0.0002757500000000, -0.0005251900000000, -0.0002181500000000 ] - [ -0.0056036700000000, -0.0036899200000000, -0.0244093400000000 ] - [ 0.0015394000000000, -0.0007693500000000, -0.0033672900000000 ] - [ 0.0028047000000000, 0.0021717800000000, 0.0016283200000000 ] - [ 0.0005778800000000, 0.0000000000000000, 0.0001227500000000 ] - [ 0.0002251200000000, 0.0029460600000000, 0.0053631200000000 ] - [ -0.0003554900000000, 0.0001703000000000, -0.0002458800000000 ] - [ 0.0000993100000000, 0.0000731000000000, -0.0000122800000000 ] - [ 0.0028047000000000, -0.0021717800000000, 0.0016283200000000 ] - [ -0.0011363200000000, 0.0000000000000000, -0.0000326700000000 ] - [ 0.0439102100000000, 0.0000000000000000, -0.0568910600000000 ] - [ -0.0003554900000000, -0.0001703000000000, -0.0002458800000000 ] - [ -0.0008543100000000, 0.0000000000000000, -0.0007515400000000 ] - [ -0.0014272800000000, 0.0000000000000000, 0.0004148900000000 ] - [ 0.0015394000000000, 0.0007693500000000, -0.0033672900000000 ] - [ 0.0000817100000000, 0.0000864200000000, 0.0012076800000000 ] - [ 0.0000993100000000, -0.0000731000000000, -0.0000122800000000 ] - [ -0.0002757500000000, 0.0005251900000000, -0.0002181500000000 ] - [ -0.0009977600000000, 0.0000000000000000, 0.0002456800000000 ] - [ 0.0002251200000000, -0.0029460600000000, 0.0053631200000000 ] - [ -0.0002960600000000, 0.0000281700000000, 0.0001669300000000 ] - [ -0.0009055900000000, 0.0000000000000000, -0.0003552500000000 ] - [ -0.0004982300000000, 0.0001047900000000, -0.0002898300000000 ] - [ -0.0002315800000000, 0.0000000000000000, 0.0000547500000000 ] - [ -0.0003455700000000, 0.0000000000000000, -0.0000526600000000 ] - [ -0.0003693900000000, 0.0000191100000000, -0.0000193500000000 ] - [ -0.0002735000000000, 0.0000000000000000, 0.0002458700000000 ] - [ 0.0004245500000000, 0.0007549600000000, 0.0002651000000000 ] - [ -0.0003693900000000, -0.0000191100000000, -0.0000193500000000 ] - [ 0.0004245500000000, -0.0007549600000000, 0.0002651000000000 ] - [ 0.0002995400000000, -0.0003170100000000, -0.0003935500000000 ] - [ -0.0004982300000000, -0.0001047900000000, -0.0002898300000000 ] - [ -0.0004625500000000, -0.0006602700000000, -0.0001361900000000 ] - [ -0.0006138500000000, 0.0000325300000000, -0.0001569800000000 ] - [ -0.0004799200000000, 0.0000000000000000, 0.0001298800000000 ] - [ 0.0002715700000000, 0.0000038300000000, 0.0001975500000000 ] - [ -0.0025268900000000, -0.0006056100000000, -0.0005675700000000 ] - [ -0.0008521900000000, 0.0000896200000000, -0.0001889300000000 ] - [ -0.0006138500000000, -0.0000325300000000, -0.0001569800000000 ] - [ 0.0002180200000000, 0.0000000000000000, -0.0000664000000000 ] - [ 0.0000510000000000, 0.0000000000000000, 0.0001888500000000 ] - [ -0.0025268900000000, 0.0006056100000000, -0.0005675700000000 ] - [ -0.0018074800000000, 0.0000000000000000, -0.0009975500000000 ] - [ 0.0001513500000000, 0.0000000000000000, 0.0000915400000000 ] - [ -0.0004625500000000, 0.0006602700000000, -0.0001361900000000 ] - [ -0.0002960600000000, -0.0000281700000000, 0.0001669300000000 ] - [ -0.0008521900000000, -0.0000896200000000, -0.0001889300000000 ] - [ 0.0002995400000000, 0.0003170100000000, -0.0003935500000000 ] - [ -0.0012557400000000, 0.0000000000000000, -0.0000795700000000 ] - [ 0.0002715700000000, -0.0000038300000000, 0.0001975500000000 ] - [ 0.0001947000000000, 0.0000000000000000, -0.0002530100000000 ] - [ -0.0002547300000000, 0.0000000000000000, -0.0011110700000000 ] - [ -0.0009655400000000, 0.0000000000000000, 0.0033543900000000 ] - [ -0.0006214900000000, 0.0000000000000000, 0.0019795300000000 ] - [ -0.0004783300000000, 0.0000000000000000, 0.0004695900000000 ] - [ -0.0003147400000000, 0.0000000000000000, 0.0002327400000000 ] - [ -0.0002489000000000, 0.0000000000000000, 0.0000605300000000 ] - [ -0.0003662800000000, 0.0000000000000000, -0.0001642600000000 ]- atom: 61 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0039250800000000, 0.0000000000000000, -0.0020973200000000 ] - [ -0.0016631000000000, 0.0000000000000000, 0.0019084200000000 ] - [ 0.0008551700000000, 0.0000000000000000, 0.0042612000000000 ] - [ -0.0018988600000000, 0.0000000000000000, 0.0016964900000000 ] - [ 0.0020415200000000, 0.0000000000000000, -0.0030533500000000 ] - [ 0.0017659400000000, 0.0000000000000000, -0.0009104000000000 ] - [ -0.0009601100000000, 0.0000000000000000, 0.0003896600000000 ] - [ -0.0002552500000000, 0.0000000000000000, -0.0003995000000000 ] - [ -0.0004129700000000, 0.0000000000000000, -0.0001500000000000 ] - [ -0.0002695700000000, 0.0000000000000000, -0.0001520800000000 ] - [ -0.0004432800000000, 0.0000000000000000, -0.0001707800000000 ] - [ -0.0006746800000000, 0.0000000000000000, 0.0001705900000000 ] - [ -0.0021313600000000, 0.0000000000000000, 0.0000594000000000 ] - [ 0.0005759500000000, 0.0000000000000000, 0.0053940900000000 ] - [ 0.0000435700000000, 0.0000000000000000, 0.0001881500000000 ] - [ 0.0077532500000000, 0.0000000000000000, -0.0125669500000000 ] - [ -0.0008993900000000, 0.0000000000000000, -0.0022359900000000 ] - [ -0.0008979800000000, 0.0000000000000000, 0.0005842500000000 ] - [ -0.0002793100000000, 0.0000000000000000, 0.0005232900000000 ] - [ -0.0009795100000000, 0.0000000000000000, 0.0004090100000000 ] - [ -0.0008815300000000, 0.0000000000000000, -0.0003962400000000 ] - [ -0.0013581400000000, 0.0000000000000000, -0.0003649700000000 ] - [ 0.0137648400000000, 0.0000000000000000, -0.0733695200000000 ] - [ -0.0024856600000000, 0.0000000000000000, -0.0014580700000000 ] - [ 0.0005695200000000, 0.0000000000000000, 0.0006642000000000 ] - [ 0.0008601500000000, 0.0000000000000000, 0.0006201400000000 ] - [ 0.0104548700000000, 0.0000000000000000, 0.0037629400000000 ] - [ 0.0018237000000000, 0.0000000000000000, 0.0006010200000000 ] - [ -0.0035095500000000, 0.0000000000000000, -0.0028662500000000 ] - [ 0.0003192800000000, 0.0000000000000000, 0.0003619300000000 ] - [ -0.0024333800000000, 0.0000000000000000, -0.0008840500000000 ] - [ 0.0001568000000000, 0.0000000000000000, 0.0001062100000000 ] - [ -0.0011568800000000, 0.0000000000000000, -0.0003195100000000 ] - [ -0.0010154900000000, 0.0000000000000000, -0.0006781000000000 ] - [ 0.0000295200000000, 0.0000000000000000, -0.0000495300000000 ] - [ -0.0003421300000000, 0.0000000000000000, -0.0000834500000000 ] - [ 0.0000626700000000, 0.0000000000000000, 0.0002565600000000 ] - [ 0.0006363700000000, 0.0000000000000000, 0.0002549700000000 ] - [ -0.0015181800000000, 0.0000000000000000, -0.0005076900000000 ] - [ -0.0001787700000000, 0.0000000000000000, 0.0002512900000000 ] - [ -0.0002130500000000, 0.0000833100000000, -0.0008525500000000 ] - [ -0.0028990200000000, 0.0000000000000000, -0.0127850100000000 ] - [ 0.0053569800000000, -0.0035607500000000, 0.0241262400000000 ] - [ -0.0009273000000000, 0.0000000000000000, -0.0002056400000000 ] - [ 0.0017957200000000, 0.0000000000000000, 0.0006868100000000 ] - [ -0.0006356300000000, 0.0001399800000000, -0.0006485800000000 ] - [ -0.0003940400000000, 0.0000000000000000, -0.0009167300000000 ] - [ 0.0003541000000000, 0.0004361000000000, -0.0002421800000000 ] - [ -0.0006356300000000, -0.0001399800000000, -0.0006485800000000 ] - [ 0.0003541000000000, -0.0004361000000000, -0.0002421800000000 ] - [ 0.0009657900000000, 0.0003378200000000, 0.0004721000000000 ] - [ 0.0053569800000000, 0.0035607500000000, 0.0241262400000000 ] - [ -0.0015871400000000, -0.0001667500000000, 0.0033562400000000 ] - [ -0.0035026400000000, -0.0019812700000000, -0.0018448600000000 ] - [ -0.0007642200000000, 0.0000000000000000, -0.0003407800000000 ] - [ 0.0010710900000000, -0.0029814000000000, -0.0047331200000000 ] - [ 0.0008213200000000, -0.0001080900000000, 0.0002305800000000 ] - [ -0.0013792800000000, 0.0000302100000000, -0.0005211000000000 ] - [ -0.0035026400000000, 0.0019812700000000, -0.0018448600000000 ] - [ 0.0007453100000000, 0.0000000000000000, -0.0000309500000000 ] - [ -0.0384373700000000, 0.0000000000000000, 0.0570599700000000 ] - [ 0.0008213200000000, 0.0001080900000000, 0.0002305800000000 ] - [ 0.0009243500000000, 0.0000000000000000, 0.0002087800000000 ] - [ 0.0025663900000000, 0.0000000000000000, 0.0000042900000000 ] - [ -0.0015871400000000, 0.0001667500000000, 0.0033562400000000 ] - [ -0.0002130500000000, -0.0000833100000000, -0.0008525500000000 ] - [ -0.0013792800000000, -0.0000302100000000, -0.0005211000000000 ] - [ 0.0009657900000000, -0.0003378200000000, 0.0004721000000000 ] - [ -0.0008582400000000, 0.0000000000000000, -0.0005346800000000 ] - [ 0.0010710900000000, 0.0029814000000000, -0.0047331200000000 ] - [ 0.0001354300000000, -0.0000250600000000, 0.0001816200000000 ] - [ -0.0002083400000000, 0.0000000000000000, -0.0000460500000000 ] - [ 0.0006319400000000, -0.0000992700000000, -0.0000627200000000 ] - [ 0.0005811000000000, 0.0000000000000000, 0.0000219800000000 ] - [ 0.0005217600000000, 0.0000000000000000, 0.0002632600000000 ] - [ -0.0001283100000000, -0.0000749100000000, 0.0000188100000000 ] - [ 0.0001585200000000, 0.0000000000000000, 0.0002768800000000 ] - [ -0.0003787600000000, 0.0001724400000000, -0.0002634900000000 ] - [ -0.0001283100000000, 0.0000749100000000, 0.0000188100000000 ] - [ -0.0003787600000000, -0.0001724400000000, -0.0002634900000000 ] - [ 0.0003783800000000, 0.0001087200000000, 0.0006096400000000 ] - [ 0.0006319400000000, 0.0000992700000000, -0.0000627200000000 ] - [ 0.0003960900000000, -0.0002762500000000, 0.0001317800000000 ] - [ -0.0000805500000000, 0.0001691800000000, -0.0000657200000000 ] - [ 0.0002727400000000, 0.0000000000000000, -0.0003463800000000 ] - [ 0.0010122200000000, -0.0001041300000000, 0.0003265900000000 ] - [ 0.0029896600000000, 0.0006590400000000, 0.0005580900000000 ] - [ -0.0004533800000000, 0.0000131300000000, -0.0003404000000000 ] - [ -0.0000805500000000, -0.0001691800000000, -0.0000657200000000 ] - [ -0.0005802900000000, 0.0000000000000000, -0.0000105100000000 ] - [ 0.0018155300000000, 0.0000000000000000, 0.0001062000000000 ] - [ 0.0029896600000000, -0.0006590400000000, 0.0005580900000000 ] - [ 0.0018902100000000, 0.0000000000000000, 0.0004639600000000 ] - [ 0.0009339100000000, 0.0000000000000000, 0.0003029900000000 ] - [ 0.0003960900000000, 0.0002762500000000, 0.0001317800000000 ] - [ 0.0001354300000000, 0.0000250600000000, 0.0001816200000000 ] - [ -0.0004533800000000, -0.0000131300000000, -0.0003404000000000 ] - [ 0.0003783800000000, -0.0001087200000000, 0.0006096400000000 ] - [ -0.0006500500000000, 0.0000000000000000, -0.0002112500000000 ] - [ 0.0010122200000000, 0.0001041300000000, 0.0003265900000000 ] - [ -0.0000703400000000, 0.0000000000000000, -0.0000652900000000 ] - [ 0.0006650500000000, 0.0000000000000000, 0.0014125900000000 ] - [ 0.0008368400000000, 0.0000000000000000, -0.0030248100000000 ] - [ 0.0002071500000000, 0.0000000000000000, -0.0023080800000000 ] - [ 0.0005903600000000, 0.0000000000000000, -0.0007695300000000 ] - [ 0.0007219200000000, 0.0000000000000000, 0.0001077600000000 ] - [ 0.0001174000000000, 0.0000000000000000, 0.0002358000000000 ] - [ -0.0000566700000000, 0.0000000000000000, -0.0001796200000000 ]- atom: 101 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0105990900000000, 0.0000000000000000, 0.0010936100000000 ] - [ -0.0014723300000000, 0.0000000000000000, 0.0000313300000000 ] - [ -0.0022316200000000, 0.0000000000000000, 0.0004932000000000 ] - [ 0.0003733100000000, 0.0000000000000000, 0.0011322700000000 ] - [ -0.0001673600000000, 0.0000000000000000, -0.0006360600000000 ] - [ -0.0009853900000000, 0.0000000000000000, -0.0001890700000000 ] - [ -0.0015413500000000, 0.0000000000000000, 0.0002183300000000 ] - [ 0.0026247900000000, 0.0000000000000000, 0.0004939900000000 ] - [ -0.0023351900000000, 0.0000000000000000, -0.0011364400000000 ] - [ -0.0011719400000000, 0.0000000000000000, -0.0003063500000000 ] - [ -0.0004476600000000, 0.0000000000000000, 0.0001988700000000 ] - [ 0.0015953300000000, 0.0000000000000000, 0.0008439000000000 ] - [ 0.0054521100000000, 0.0000000000000000, -0.0001919700000000 ] - [ -0.0019753900000000, 0.0000000000000000, 0.0010010500000000 ] - [ 0.0170907400000000, 0.0000000000000000, -0.0098883800000000 ] - [ -0.0020131400000000, 0.0000000000000000, -0.0004703500000000 ] - [ -0.0014684900000000, 0.0000000000000000, -0.0005805400000000 ] - [ -0.0006193100000000, 0.0000000000000000, -0.0025168900000000 ] - [ -0.0020417900000000, 0.0000000000000000, -0.0007926700000000 ] - [ -0.0021444300000000, 0.0000000000000000, 0.0050968700000000 ] - [ 0.0069149100000000, 0.0000000000000000, 0.0039861700000000 ] - [ 0.0036246200000000, 0.0000000000000000, 0.0002657700000000 ] - [ -0.0009767700000000, 0.0000000000000000, -0.0001777100000000 ] - [ 0.0010096200000000, 0.0000000000000000, 0.0001744800000000 ] - [ -0.0004180900000000, 0.0000000000000000, -0.0001740800000000 ] - [ -0.0013454300000000, 0.0000000000000000, -0.0003952100000000 ] - [ 0.0000900200000000, 0.0000000000000000, 0.0003114200000000 ] - [ 0.0067476900000000, 0.0000000000000000, 0.0022515700000000 ] - [ -0.0032560200000000, 0.0000000000000000, -0.0010712100000000 ] - [ -0.0008896400000000, 0.0000000000000000, 0.0005419600000000 ] - [ -0.0012859800000000, 0.0000000000000000, -0.0004341600000000 ] - [ -0.0022120200000000, 0.0000000000000000, -0.0006534600000000 ] - [ -0.0017151200000000, 0.0000000000000000, -0.0003122200000000 ] - [ -0.0015707400000000, 0.0000000000000000, -0.0008804800000000 ] - [ 0.0024235700000000, 0.0000000000000000, 0.0009289700000000 ] - [ -0.0030618500000000, 0.0000000000000000, -0.0016667700000000 ] - [ -0.0000059000000000, 0.0000000000000000, 0.0002247400000000 ] - [ -0.0004097400000000, 0.0000000000000000, -0.0001173000000000 ] - [ -0.0025649500000000, 0.0000000000000000, -0.0008123800000000 ] - [ -0.0014719900000000, 0.0000000000000000, 0.0001908500000000 ] - [ 0.0004699200000000, -0.0000789600000000, -0.0001723400000000 ] - [ -0.0003084500000000, 0.0000000000000000, -0.0000051500000000 ] - [ -0.0003950200000000, -0.0006986200000000, 0.0010069800000000 ] - [ 0.0012932300000000, 0.0000000000000000, 0.0001366700000000 ] - [ 0.0017265300000000, 0.0000000000000000, 0.0006929400000000 ] - [ 0.0005514900000000, -0.0001386000000000, 0.0001370200000000 ] - [ 0.0010327400000000, 0.0000000000000000, 0.0002751400000000 ] - [ -0.0019069400000000, -0.0011710000000000, -0.0017891300000000 ] - [ 0.0005514900000000, 0.0001386000000000, 0.0001370200000000 ] - [ -0.0019069400000000, 0.0011710000000000, -0.0017891300000000 ] - [ -0.0004655900000000, -0.0003524200000000, -0.0003911100000000 ] - [ -0.0003950200000000, 0.0006986200000000, 0.0010069800000000 ] - [ 0.0005514900000000, -0.0001658200000000, 0.0003779600000000 ] - [ -0.0000194100000000, 0.0001299600000000, -0.0001092600000000 ] - [ -0.0050250300000000, 0.0000000000000000, -0.0010471500000000 ] - [ 0.0023563700000000, -0.0000140900000000, 0.0004554200000000 ] - [ -0.0016615400000000, 0.0009317500000000, -0.0033472800000000 ] - [ 0.0008155900000000, 0.0027364000000000, -0.0028159700000000 ] - [ -0.0000194100000000, -0.0001299600000000, -0.0001092600000000 ] - [ -0.0015917400000000, 0.0000000000000000, -0.0005445600000000 ] - [ 0.0013694500000000, 0.0000000000000000, 0.0003138700000000 ] - [ -0.0016615400000000, -0.0009317500000000, -0.0033472800000000 ] - [ -0.0049349100000000, 0.0000000000000000, -0.0003499900000000 ] - [ -0.0004652700000000, 0.0000000000000000, -0.0003389300000000 ] - [ 0.0005514900000000, 0.0001658200000000, 0.0003779600000000 ] - [ 0.0004699200000000, 0.0000789600000000, -0.0001723400000000 ] - [ 0.0008155900000000, -0.0027364000000000, -0.0028159700000000 ] - [ -0.0004655900000000, 0.0003524200000000, -0.0003911100000000 ] - [ -0.0000575900000000, 0.0000000000000000, -0.0009819500000000 ] - [ 0.0023563700000000, 0.0000140900000000, 0.0004554200000000 ] - [ 0.0007222700000000, -0.0002541400000000, 0.0005285900000000 ] - [ -0.0000987500000000, 0.0000000000000000, -0.0002099800000000 ] - [ 0.0008718600000000, -0.0001642400000000, -0.0001790500000000 ] - [ -0.0031676700000000, 0.0000000000000000, 0.0000455300000000 ] - [ 0.0015849900000000, 0.0000000000000000, -0.0004226500000000 ] - [ -0.0003505400000000, 0.0000130900000000, 0.0048207500000000 ] - [ 0.0016226200000000, 0.0000000000000000, 0.0004060800000000 ] - [ 0.0006711500000000, 0.0007065600000000, 0.0002018200000000 ] - [ -0.0003505400000000, -0.0000130900000000, 0.0048207500000000 ] - [ 0.0006711500000000, -0.0007065600000000, 0.0002018200000000 ] - [ 0.0008937400000000, 0.0000805100000000, 0.0003023800000000 ] - [ 0.0008718600000000, 0.0001642400000000, -0.0001790500000000 ] - [ -0.0004603600000000, -0.0009754600000000, -0.0008251500000000 ] - [ -0.0003629400000000, 0.0003003600000000, 0.0003412300000000 ] - [ 0.0009862900000000, 0.0000000000000000, 0.0001489300000000 ] - [ 0.0016176700000000, -0.0002416800000000, 0.0002766700000000 ] - [ 0.0011205500000000, -0.0000852200000000, 0.0002188300000000 ] - [ 0.0002195200000000, -0.0000760400000000, -0.0000753200000000 ] - [ -0.0003629400000000, -0.0003003600000000, 0.0003412300000000 ] - [ 0.0009818300000000, 0.0000000000000000, 0.0000935800000000 ] - [ 0.0023869600000000, 0.0000000000000000, -0.0002696200000000 ] - [ 0.0011205500000000, 0.0000852200000000, 0.0002188300000000 ] - [ 0.0011498900000000, 0.0000000000000000, -0.0000619200000000 ] - [ 0.0013641000000000, 0.0000000000000000, 0.0004687900000000 ] - [ -0.0004603600000000, 0.0009754600000000, -0.0008251500000000 ] - [ 0.0007222700000000, 0.0002541400000000, 0.0005285900000000 ] - [ 0.0002195200000000, 0.0000760400000000, -0.0000753200000000 ] - [ 0.0008937400000000, -0.0000805100000000, 0.0003023800000000 ] - [ 0.0004913600000000, 0.0000000000000000, -0.0002101100000000 ] - [ 0.0016176700000000, 0.0002416800000000, 0.0002766700000000 ] - [ -0.0332545300000000, 0.0000000000000000, 0.0073172800000000 ] - [ -0.0029755200000000, 0.0000000000000000, 0.0018887200000000 ] - [ 0.0006773400000000, 0.0000000000000000, 0.0002032100000000 ] - [ 0.0004541800000000, 0.0000000000000000, -0.0005055000000000 ] - [ 0.0006805500000000, 0.0000000000000000, -0.0001629800000000 ] - [ 0.0007580500000000, 0.0000000000000000, 0.0001150100000000 ] - [ 0.0054716900000000, 0.0000000000000000, -0.0018962500000000 ] - [ 0.0006229600000000, 0.0000000000000000, 0.0008992500000000 ]- atom: 101 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0111623400000000, 0.0000000000000000, -0.0011180500000000 ] - [ 0.0014720000000000, 0.0000000000000000, -0.0000353200000000 ] - [ 0.0022781200000000, 0.0000000000000000, -0.0008259700000000 ] - [ -0.0006676300000000, 0.0000000000000000, -0.0011105200000000 ] - [ 0.0004501800000000, 0.0000000000000000, 0.0006309900000000 ] - [ 0.0009817000000000, 0.0000000000000000, 0.0001938500000000 ] - [ 0.0014968800000000, 0.0000000000000000, 0.0000989300000000 ] - [ -0.0024959700000000, 0.0000000000000000, -0.0005146000000000 ] - [ 0.0023712500000000, 0.0000000000000000, 0.0008062000000000 ] - [ 0.0008900600000000, 0.0000000000000000, 0.0003236300000000 ] - [ 0.0007357800000000, 0.0000000000000000, -0.0002106000000000 ] - [ -0.0015883200000000, 0.0000000000000000, -0.0008348300000000 ] - [ -0.0047619700000000, 0.0000000000000000, -0.0007874900000000 ] - [ 0.0012718100000000, 0.0000000000000000, -0.0000275200000000 ] - [ -0.0171788600000000, 0.0000000000000000, 0.0088749800000000 ] - [ 0.0021241900000000, 0.0000000000000000, 0.0016798500000000 ] - [ 0.0021658900000000, 0.0000000000000000, -0.0003912500000000 ] - [ -0.0000704800000000, 0.0000000000000000, 0.0034846200000000 ] - [ 0.0019376400000000, 0.0000000000000000, -0.0004125500000000 ] - [ 0.0022438200000000, 0.0000000000000000, -0.0038600500000000 ] - [ -0.0067468800000000, 0.0000000000000000, -0.0039851000000000 ] - [ -0.0054355800000000, 0.0000000000000000, -0.0007734300000000 ] - [ 0.0006105700000000, 0.0000000000000000, -0.0003662500000000 ] - [ -0.0020615400000000, 0.0000000000000000, -0.0010678300000000 ] - [ 0.0022521200000000, 0.0000000000000000, 0.0006865500000000 ] - [ 0.0012031100000000, 0.0000000000000000, 0.0003880000000000 ] - [ 0.0009422900000000, 0.0000000000000000, 0.0005760700000000 ] - [ -0.0049488700000000, 0.0000000000000000, -0.0016195100000000 ] - [ 0.0013506000000000, 0.0000000000000000, 0.0004193600000000 ] - [ 0.0012479100000000, 0.0000000000000000, -0.0000044100000000 ] - [ 0.0014254900000000, 0.0000000000000000, 0.0004401400000000 ] - [ 0.0003748700000000, 0.0000000000000000, 0.0001422100000000 ] - [ 0.0013321600000000, 0.0000000000000000, -0.0002312700000000 ] - [ 0.0005165300000000, 0.0000000000000000, -0.0000150800000000 ] - [ -0.0005810600000000, 0.0000000000000000, -0.0004143400000000 ] - [ 0.0029267100000000, 0.0000000000000000, 0.0016590600000000 ] - [ 0.0010405100000000, 0.0000000000000000, 0.0006622700000000 ] - [ 0.0023359800000000, 0.0000000000000000, 0.0007750000000000 ] - [ 0.0006335100000000, 0.0000000000000000, 0.0001534000000000 ] - [ 0.0018515100000000, 0.0000000000000000, 0.0003536700000000 ] - [ -0.0006069900000000, 0.0000767200000000, 0.0005249300000000 ] - [ -0.0007875600000000, 0.0000000000000000, -0.0003941200000000 ] - [ 0.0005499300000000, 0.0006976900000000, -0.0013657200000000 ] - [ -0.0009432500000000, 0.0000000000000000, -0.0000639400000000 ] - [ -0.0015422800000000, 0.0000000000000000, -0.0004833100000000 ] - [ -0.0010455000000000, 0.0000822600000000, -0.0001306900000000 ] - [ -0.0011356700000000, 0.0000000000000000, 0.0002520300000000 ] - [ 0.0019476700000000, 0.0020917200000000, 0.0017752900000000 ] - [ -0.0010455000000000, -0.0000822600000000, -0.0001306900000000 ] - [ 0.0019476700000000, -0.0020917200000000, 0.0017752900000000 ] - [ 0.0011515700000000, 0.0001497100000000, 0.0006105300000000 ] - [ 0.0005499300000000, -0.0006976900000000, -0.0013657200000000 ] - [ -0.0006035800000000, -0.0007663800000000, -0.0003818800000000 ] - [ -0.0006646000000000, 0.0000749600000000, -0.0001119700000000 ] - [ 0.0049073700000000, 0.0000000000000000, 0.0008229000000000 ] - [ -0.0010616200000000, -0.0000976800000000, 0.0000781900000000 ] - [ 0.0021477300000000, -0.0008777300000000, 0.0033337700000000 ] - [ -0.0021312500000000, -0.0026840900000000, 0.0023384200000000 ] - [ -0.0006646000000000, -0.0000749600000000, -0.0001119700000000 ] - [ 0.0012363200000000, 0.0000000000000000, 0.0004692600000000 ] - [ 0.0005088800000000, 0.0000000000000000, -0.0000248500000000 ] - [ 0.0021477300000000, 0.0008777300000000, 0.0033337700000000 ] - [ 0.0050361800000000, 0.0000000000000000, -0.0001670400000000 ] - [ 0.0015642300000000, 0.0000000000000000, 0.0007296000000000 ] - [ -0.0006035800000000, 0.0007663800000000, -0.0003818800000000 ] - [ -0.0006069900000000, -0.0000767200000000, 0.0005249300000000 ] - [ -0.0021312500000000, 0.0026840900000000, 0.0023384200000000 ] - [ 0.0011515700000000, -0.0001497100000000, 0.0006105300000000 ] - [ -0.0017823400000000, 0.0000000000000000, 0.0006771500000000 ] - [ -0.0010616200000000, 0.0000976800000000, 0.0000781900000000 ] - [ -0.0008747900000000, 0.0002582700000000, -0.0001759300000000 ] - [ -0.0010061300000000, 0.0000000000000000, -0.0001888500000000 ] - [ -0.0007237700000000, 0.0001613000000000, -0.0001723700000000 ] - [ 0.0035003100000000, 0.0000000000000000, 0.0000236600000000 ] - [ -0.0013920100000000, 0.0000000000000000, 0.0006345300000000 ] - [ -0.0001583700000000, -0.0000648600000000, -0.0047875800000000 ] - [ -0.0017395300000000, 0.0000000000000000, 0.0001147800000000 ] - [ -0.0006224900000000, 0.0002250200000000, -0.0001983100000000 ] - [ -0.0001583700000000, 0.0000648600000000, -0.0047875800000000 ] - [ -0.0006224900000000, -0.0002250200000000, -0.0001983100000000 ] - [ -0.0002103900000000, -0.0002845900000000, -0.0000814700000000 ] - [ -0.0007237700000000, -0.0001613000000000, -0.0001723700000000 ] - [ 0.0004095100000000, 0.0000438500000000, 0.0008207600000000 ] - [ -0.0003230100000000, -0.0000961400000000, -0.0005642200000000 ] - [ -0.0011754400000000, 0.0000000000000000, -0.0003599700000000 ] - [ -0.0003157000000000, 0.0001382000000000, 0.0002501700000000 ] - [ -0.0006291800000000, 0.0001412300000000, -0.0002251900000000 ] - [ -0.0015196700000000, 0.0001808300000000, -0.0004531600000000 ] - [ -0.0003230100000000, 0.0000961400000000, -0.0005642200000000 ] - [ -0.0013322900000000, 0.0000000000000000, -0.0001651000000000 ] - [ -0.0004989000000000, 0.0000000000000000, 0.0005600600000000 ] - [ -0.0006291800000000, -0.0001412300000000, -0.0002251900000000 ] - [ -0.0010478800000000, 0.0000000000000000, -0.0004651100000000 ] - [ -0.0002669600000000, 0.0000000000000000, -0.0000720600000000 ] - [ 0.0004095100000000, -0.0000438500000000, 0.0008207600000000 ] - [ -0.0008747900000000, -0.0002582700000000, -0.0001759300000000 ] - [ -0.0015196700000000, -0.0001808300000000, -0.0004531600000000 ] - [ -0.0002103900000000, 0.0002845900000000, -0.0000814700000000 ] - [ -0.0023814000000000, 0.0000000000000000, -0.0000798700000000 ] - [ -0.0003157000000000, -0.0001382000000000, 0.0002501700000000 ] - [ 0.0338048100000000, 0.0000000000000000, -0.0074961000000000 ] - [ 0.0034112300000000, 0.0000000000000000, -0.0015260100000000 ] - [ -0.0007984200000000, 0.0000000000000000, 0.0000975300000000 ] - [ -0.0008692200000000, 0.0000000000000000, 0.0001676300000000 ] - [ -0.0005620100000000, 0.0000000000000000, -0.0001380200000000 ] - [ -0.0003434600000000, 0.0000000000000000, 0.0002223800000000 ] - [ -0.0055179500000000, 0.0000000000000000, 0.0021762200000000 ] - [ -0.0010413000000000, 0.0000000000000000, -0.0012332900000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000063200000000, 0.0024608700000000, 0.0001624600000000 ] - [ -0.0000032400000000, -0.0000008000000000, -0.0000005000000000 ] - [ 0.0000216200000000, -0.0000931300000000, -0.0001628000000000 ] - [ -0.0001436300000000, 0.0000133400000000, 0.0000093300000000 ] - [ 0.0001426900000000, -0.0000098200000000, -0.0000060700000000 ] - [ -0.0000009900000000, -0.0000004700000000, 0.0000000800000000 ] - [ -0.0000250700000000, -0.0000001100000000, 0.0001597600000000 ] - [ 0.0000528400000000, -0.0056427000000000, -0.0000093500000000 ] - [ 0.0000174200000000, -0.0000028400000000, -0.0001651900000000 ] - [ -0.0001463900000000, -0.0000007600000000, 0.0000071600000000 ] - [ 0.0001443600000000, -0.0000033400000000, -0.0000055100000000 ] - [ 0.0000042600000000, -0.0000012300000000, 0.0000057900000000 ] - [ 0.0003585700000000, -0.0003210900000000, -0.0004668100000000 ] - [ -0.0003564200000000, 0.0000056600000000, 0.0004875500000000 ] - [ -0.0000197900000000, 0.0057916200000000, -0.0006666100000000 ] - [ 0.0000406300000000, 0.0000165200000000, 0.0006066800000000 ] - [ 0.0003473400000000, 0.0000012600000000, -0.0004808500000000 ] - [ -0.0003433600000000, -0.0003701800000000, 0.0004776700000000 ] - [ -0.0000477000000000, -0.0000002600000000, -0.0006073800000000 ] - [ 0.0000383200000000, 0.0001661200000000, 0.0006212700000000 ] - [ 0.0000977500000000, 0.0028379500000000, 0.0000031000000000 ] - [ -0.0009071100000000, 0.0004824300000000, -0.0002565300000000 ] - [ -0.0001892700000000, 0.0002094000000000, -0.0002700000000000 ] - [ -0.0005211300000000, -0.0000113800000000, -0.0004460100000000 ] - [ 0.0009224800000000, 0.0000020400000000, 0.0002562700000000 ] - [ -0.0000731000000000, -0.0000017900000000, -0.0000040700000000 ] - [ 0.0005138400000000, -0.0000005700000000, 0.0004428200000000 ] - [ 0.0009975300000000, -0.0051969700000000, 0.0003428800000000 ] - [ -0.0009497800000000, -0.0001996200000000, -0.0003244100000000 ] - [ 0.0001833100000000, 0.0002059100000000, 0.0002692800000000 ] - [ 0.0000671000000000, -0.0000048800000000, 0.0000022000000000 ] - [ -0.0009133800000000, 0.0000039500000000, -0.0002529200000000 ] - [ -0.0001912700000000, 0.0000041100000000, -0.0002712700000000 ] - [ -0.0005377900000000, -0.0000011300000000, -0.0004527900000000 ] - [ 0.0009146700000000, -0.0001077000000000, 0.0002545600000000 ] - [ -0.0000644800000000, 0.0038732300000000, 0.0000016700000000 ] - [ 0.0005194100000000, 0.0000162500000000, 0.0004449500000000 ] - [ 0.0009522400000000, 0.0000031200000000, 0.0003250900000000 ] - [ -0.0009607600000000, 0.0000119300000000, -0.0003284300000000 ] - [ 0.0001784500000000, 0.0000178300000000, 0.0002712400000000 ] - [ -0.0001169500000000, -0.0000176800000000, 0.0001889500000000 ] - [ -0.0005488500000000, 0.0000006900000000, -0.0001993300000000 ] - [ 0.0001092200000000, -0.0001338800000000, -0.0000241400000000 ] - [ 0.0001772700000000, 0.0000002100000000, 0.0000379900000000 ] - [ 0.0001049700000000, 0.0000456300000000, 0.0001087600000000 ] - [ -0.0002450600000000, -0.0000302400000000, 0.0000039400000000 ] - [ -0.0000482700000000, -0.0000020400000000, 0.0002633300000000 ] - [ -0.0002535600000000, -0.0001722600000000, -0.0004717200000000 ] - [ -0.0002446000000000, 0.0000293200000000, 0.0000042900000000 ] - [ 0.0002889500000000, -0.0010840100000000, 0.0004602000000000 ] - [ 0.0003378700000000, -0.0001016200000000, 0.0001051300000000 ] - [ 0.0000328200000000, -0.0001253500000000, -0.0003216300000000 ] - [ -0.0000227300000000, -0.0004657800000000, -0.0000025000000000 ] - [ -0.0003412400000000, 0.0001042300000000, -0.0001083800000000 ] - [ -0.0001639000000000, 0.0070967000000000, -0.0000516100000000 ] - [ 0.0004942600000000, -0.0000352800000000, 0.0003119900000000 ] - [ -0.0000915200000000, -0.0006299100000000, 0.0011430600000000 ] - [ 0.0005593700000000, 0.0028936500000000, -0.0023846400000000 ] - [ -0.0003394900000000, -0.0001019600000000, -0.0001100600000000 ] - [ -0.0001768600000000, 0.0000500800000000, -0.0000397300000000 ] - [ 0.0009460300000000, -0.0000226400000000, 0.0001467600000000 ] - [ 0.0005774100000000, -0.0007011800000000, -0.0011636500000000 ] - [ 0.0000388300000000, -0.0004206400000000, -0.0002591200000000 ] - [ 0.0005459900000000, -0.0000006700000000, 0.0001958500000000 ] - [ -0.0000218900000000, 0.0004649300000000, -0.0000009700000000 ] - [ -0.0000180600000000, -0.0000140500000000, 0.0001608000000000 ] - [ -0.0018859000000000, 0.0027586000000000, 0.0018503100000000 ] - [ 0.0003408700000000, 0.0001042600000000, 0.0001072800000000 ] - [ -0.0009290400000000, -0.0000480600000000, -0.0001522600000000 ] - [ 0.0008235400000000, 0.0000720000000000, 0.0002180300000000 ] - [ -0.0000555300000000, -0.0000016400000000, 0.0001740200000000 ] - [ -0.0005492800000000, -0.0000025000000000, -0.0001997500000000 ] - [ 0.0000743400000000, -0.0000012300000000, -0.0001757300000000 ] - [ 0.0001628800000000, -0.0000441000000000, 0.0000361500000000 ] - [ 0.0001123500000000, -0.0000279200000000, 0.0001037800000000 ] - [ 0.0015006900000000, -0.0009531400000000, 0.0023402200000000 ] - [ -0.0000541000000000, -0.0007572000000000, 0.0002627400000000 ] - [ 0.0000254100000000, 0.0004670400000000, 0.0000050400000000 ] - [ -0.0020106000000000, -0.0008739400000000, -0.0023191700000000 ] - [ 0.0000258500000000, -0.0004669000000000, 0.0000042400000000 ] - [ 0.0003390900000000, -0.0001037800000000, 0.0001076300000000 ] - [ 0.0000742800000000, 0.0000018100000000, -0.0001745800000000 ] - [ -0.0000447800000000, -0.0004242300000000, 0.0000318100000000 ] - [ -0.0003488400000000, 0.0001028400000000, -0.0001065300000000 ] - [ -0.0001018200000000, -0.0000004000000000, -0.0001074800000000 ] - [ 0.0006548300000000, -0.0000613900000000, 0.0002669500000000 ] - [ 0.0002474100000000, 0.0000284000000000, -0.0000031600000000 ] - [ -0.0006539700000000, 0.0000542800000000, -0.0002647500000000 ] - [ -0.0003338600000000, -0.0001022000000000, -0.0001116100000000 ] - [ -0.0001717000000000, 0.0000000600000000, -0.0000382100000000 ] - [ 0.0009520700000000, 0.0000010800000000, 0.0001443700000000 ] - [ 0.0002491800000000, -0.0000277000000000, -0.0000032500000000 ] - [ 0.0000516300000000, -0.0000000400000000, -0.0002634000000000 ] - [ 0.0005480600000000, -0.0000001600000000, 0.0001985200000000 ] - [ -0.0000057000000000, 0.0005100500000000, -0.0000433200000000 ] - [ -0.0000928600000000, -0.0000087200000000, 0.0001779000000000 ] - [ -0.0006552000000000, -0.0000551800000000, -0.0002654400000000 ] - [ 0.0003392600000000, 0.0001031700000000, 0.0001080900000000 ] - [ -0.0009462300000000, -0.0000062900000000, -0.0001452500000000 ] - [ 0.0006609500000000, 0.0000492300000000, 0.0002644600000000 ] - [ 0.0000289200000000, -0.0158379900000000, -0.0001177200000000 ] - [ 0.0001808200000000, 0.0044736900000000, 0.0001363000000000 ] - [ -0.0000563200000000, -0.0000070800000000, 0.0001506000000000 ] - [ -0.0002027500000000, 0.0000099900000000, -0.0001704100000000 ] - [ 0.0000587800000000, -0.0000002000000000, -0.0001526000000000 ] - [ 0.0002052100000000, -0.0000001600000000, 0.0001686300000000 ] - [ -0.0000534100000000, 0.0003248100000000, 0.0001507200000000 ] - [ -0.0001984000000000, -0.0000281100000000, -0.0001610300000000 ]- atom: 101 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ -0.0038405800000000, 0.0000000000000000, 0.0069083200000000 ] - [ 0.0000073800000000, 0.0000000000000000, 0.0006289500000000 ] - [ 0.0017258800000000, 0.0000000000000000, 0.0019791000000000 ] - [ 0.0015393100000000, 0.0000000000000000, -0.0033206900000000 ] - [ -0.0005408900000000, 0.0000000000000000, -0.0018225700000000 ] - [ 0.0000164000000000, 0.0000000000000000, -0.0004769700000000 ] - [ 0.0004898900000000, 0.0000000000000000, 0.0004323000000000 ] - [ 0.0029902400000000, 0.0000000000000000, 0.0107497000000000 ] - [ -0.0001148200000000, 0.0000000000000000, 0.0020049600000000 ] - [ -0.0004984100000000, 0.0000000000000000, -0.0002948900000000 ] - [ 0.0004150900000000, 0.0000000000000000, -0.0012125100000000 ] - [ -0.0004339400000000, 0.0000000000000000, -0.0043559600000000 ] - [ -0.0004972500000000, 0.0000000000000000, -0.0086265700000000 ] - [ 0.0014965300000000, 0.0000000000000000, -0.0000400200000000 ] - [ -0.0099199200000000, 0.0000000000000000, 0.0358612500000000 ] - [ -0.0013363000000000, 0.0000000000000000, 0.0009316900000000 ] - [ 0.0004097500000000, 0.0000000000000000, -0.0008148900000000 ] - [ -0.0042885100000000, 0.0000000000000000, 0.0000052800000000 ] - [ 0.0000386200000000, 0.0000000000000000, -0.0001646700000000 ] - [ 0.0048947800000000, 0.0000000000000000, -0.0008458800000000 ] - [ 0.0019856200000000, 0.0000000000000000, -0.0040846200000000 ] - [ -0.0059020900000000, 0.0000000000000000, -0.0008813900000000 ] - [ -0.0030974400000000, 0.0000000000000000, -0.0004149500000000 ] - [ -0.0024993600000000, 0.0000000000000000, -0.0016607700000000 ] - [ 0.0004456800000000, 0.0000000000000000, 0.0000797400000000 ] - [ 0.0005993900000000, 0.0000000000000000, 0.0002807400000000 ] - [ 0.0003233900000000, 0.0000000000000000, 0.0002423800000000 ] - [ 0.0058568600000000, 0.0000000000000000, 0.0032497600000000 ] - [ -0.0021474000000000, 0.0000000000000000, -0.0006601800000000 ] - [ 0.0059372100000000, 0.0000000000000000, 0.0008298200000000 ] - [ -0.0000123400000000, 0.0000000000000000, -0.0000108900000000 ] - [ -0.0007584900000000, 0.0000000000000000, -0.0002056300000000 ] - [ 0.0006913400000000, 0.0000000000000000, -0.0002792600000000 ] - [ -0.0007961700000000, 0.0000000000000000, -0.0005984600000000 ] - [ 0.0013048300000000, 0.0000000000000000, -0.0000737400000000 ] - [ -0.0053046700000000, 0.0000000000000000, -0.0012193800000000 ] - [ -0.0007896900000000, 0.0000000000000000, -0.0002319000000000 ] - [ 0.0011707700000000, 0.0000000000000000, 0.0004253100000000 ] - [ 0.0007848800000000, 0.0000000000000000, 0.0003973300000000 ] - [ -0.0005551900000000, 0.0000000000000000, 0.0002335700000000 ] - [ -0.0024422400000000, 0.0011720500000000, 0.0000611500000000 ] - [ -0.0008212100000000, 0.0000000000000000, 0.0006603900000000 ] - [ 0.0013813600000000, -0.0004909700000000, 0.0010116500000000 ] - [ -0.0001035700000000, 0.0000000000000000, 0.0002557700000000 ] - [ 0.0007925700000000, 0.0000000000000000, 0.0003940100000000 ] - [ -0.0006004500000000, 0.0000843900000000, -0.0002053000000000 ] - [ -0.0006954200000000, 0.0000000000000000, 0.0001945000000000 ] - [ 0.0016971200000000, 0.0036415500000000, 0.0042430000000000 ] - [ -0.0006004500000000, -0.0000843900000000, -0.0002053000000000 ] - [ 0.0016971200000000, -0.0036415500000000, 0.0042430000000000 ] - [ 0.0007541100000000, 0.0006084200000000, 0.0024986400000000 ] - [ 0.0013813600000000, 0.0004909700000000, 0.0010116500000000 ] - [ 0.0002365200000000, -0.0003427400000000, 0.0002610600000000 ] - [ -0.0003456800000000, 0.0001969800000000, 0.0003581300000000 ] - [ -0.0031714600000000, 0.0000000000000000, -0.0023933300000000 ] - [ 0.0021030700000000, 0.0004007100000000, -0.0006046300000000 ] - [ -0.0014897000000000, 0.0001740800000000, 0.0026880700000000 ] - [ -0.0045789700000000, 0.0002462600000000, -0.0039694700000000 ] - [ -0.0003456800000000, -0.0001969800000000, 0.0003581300000000 ] - [ -0.0010971800000000, 0.0000000000000000, 0.0017660900000000 ] - [ 0.0031628100000000, 0.0000000000000000, 0.0002243000000000 ] - [ -0.0014897000000000, -0.0001740800000000, 0.0026880700000000 ] - [ -0.0008141100000000, 0.0000000000000000, 0.0027788100000000 ] - [ 0.0015301400000000, 0.0000000000000000, 0.0017022700000000 ] - [ 0.0002365200000000, 0.0003427400000000, 0.0002610600000000 ] - [ -0.0024422400000000, -0.0011720500000000, 0.0000611500000000 ] - [ -0.0045789700000000, -0.0002462600000000, -0.0039694700000000 ] - [ 0.0007541100000000, -0.0006084200000000, 0.0024986400000000 ] - [ -0.0094725000000000, 0.0000000000000000, 0.0024262200000000 ] - [ 0.0021030700000000, -0.0004007100000000, -0.0006046300000000 ] - [ 0.0006079000000000, 0.0000606600000000, 0.0000192600000000 ] - [ 0.0003538600000000, 0.0000000000000000, 0.0004238000000000 ] - [ -0.0002424900000000, 0.0001775200000000, -0.0000961700000000 ] - [ 0.0040407600000000, 0.0000000000000000, 0.0014713800000000 ] - [ -0.0015002900000000, 0.0000000000000000, -0.0001267200000000 ] - [ 0.0052969400000000, 0.0015763300000000, 0.0015142700000000 ] - [ 0.0037946500000000, 0.0000000000000000, 0.0009532100000000 ] - [ 0.0000065600000000, 0.0004135800000000, 0.0000047200000000 ] - [ 0.0052969400000000, -0.0015763300000000, 0.0015142700000000 ] - [ 0.0000065600000000, -0.0004135800000000, 0.0000047200000000 ] - [ 0.0004412000000000, -0.0000125700000000, 0.0003202700000000 ] - [ -0.0002424900000000, -0.0001775200000000, -0.0000961700000000 ] - [ -0.0004188500000000, -0.0003603000000000, 0.0009764200000000 ] - [ 0.0002129900000000, 0.0004902400000000, 0.0008524000000000 ] - [ -0.0002550700000000, 0.0000000000000000, -0.0002211400000000 ] - [ -0.0002653600000000, 0.0002727300000000, -0.0002867200000000 ] - [ 0.0004019600000000, 0.0000705300000000, -0.0000582200000000 ] - [ -0.0007533500000000, 0.0001003600000000, -0.0004850900000000 ] - [ 0.0002129900000000, -0.0004902400000000, 0.0008524000000000 ] - [ 0.0001562600000000, 0.0000000000000000, 0.0001707100000000 ] - [ -0.0001855300000000, 0.0000000000000000, 0.0007204100000000 ] - [ 0.0004019600000000, -0.0000705300000000, -0.0000582200000000 ] - [ 0.0000817900000000, 0.0000000000000000, -0.0001722800000000 ] - [ 0.0006897900000000, 0.0000000000000000, 0.0004439200000000 ] - [ -0.0004188500000000, 0.0003603000000000, 0.0009764200000000 ] - [ 0.0006079000000000, -0.0000606600000000, 0.0000192600000000 ] - [ -0.0007533500000000, -0.0001003600000000, -0.0004850900000000 ] - [ 0.0004412000000000, 0.0000125700000000, 0.0003202700000000 ] - [ -0.0002597400000000, 0.0000000000000000, -0.0001644700000000 ] - [ -0.0002653600000000, -0.0002727300000000, -0.0002867200000000 ] - [ 0.0107423200000000, 0.0000000000000000, -0.0601588200000000 ] - [ 0.0022697300000000, 0.0000000000000000, 0.0022805800000000 ] - [ -0.0000646100000000, 0.0000000000000000, -0.0005594600000000 ] - [ -0.0005576700000000, 0.0000000000000000, -0.0006980200000000 ] - [ -0.0000050100000000, 0.0000000000000000, -0.0004138000000000 ] - [ 0.0001256600000000, 0.0000000000000000, 0.0000892500000000 ] - [ -0.0025655800000000, 0.0000000000000000, -0.0011700100000000 ] - [ 0.0000329300000000, 0.0000000000000000, -0.0020278000000000 ]- atom: 101 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ 0.0036207500000000, 0.0000000000000000, -0.0067056700000000 ] - [ -0.0000052400000000, 0.0000000000000000, -0.0006281900000000 ] - [ -0.0016837400000000, 0.0000000000000000, -0.0022873600000000 ] - [ -0.0018029400000000, 0.0000000000000000, 0.0033185900000000 ] - [ 0.0008239000000000, 0.0000000000000000, 0.0017976700000000 ] - [ -0.0000111400000000, 0.0000000000000000, 0.0004787800000000 ] - [ -0.0005283500000000, 0.0000000000000000, -0.0001109300000000 ] - [ -0.0028938500000000, 0.0000000000000000, -0.0107888000000000 ] - [ 0.0001738600000000, 0.0000000000000000, -0.0023118200000000 ] - [ 0.0002170400000000, 0.0000000000000000, 0.0003144700000000 ] - [ -0.0001334800000000, 0.0000000000000000, 0.0011926600000000 ] - [ 0.0004165300000000, 0.0000000000000000, 0.0043354300000000 ] - [ 0.0012012200000000, 0.0000000000000000, 0.0076076000000000 ] - [ -0.0021725600000000, 0.0000000000000000, 0.0010242600000000 ] - [ 0.0090050300000000, 0.0000000000000000, -0.0348271200000000 ] - [ 0.0014423900000000, 0.0000000000000000, 0.0002751600000000 ] - [ 0.0002924700000000, 0.0000000000000000, -0.0001649500000000 ] - [ 0.0035679300000000, 0.0000000000000000, 0.0009975900000000 ] - [ -0.0001357800000000, 0.0000000000000000, -0.0010355500000000 ] - [ -0.0047840600000000, 0.0000000000000000, 0.0020055600000000 ] - [ -0.0018916100000000, 0.0000000000000000, 0.0041043500000000 ] - [ 0.0040079700000000, 0.0000000000000000, 0.0003693700000000 ] - [ 0.0027097700000000, 0.0000000000000000, -0.0001272200000000 ] - [ 0.0014564500000000, 0.0000000000000000, 0.0007691400000000 ] - [ 0.0013964800000000, 0.0000000000000000, 0.0004351900000000 ] - [ -0.0007335100000000, 0.0000000000000000, -0.0002839000000000 ] - [ 0.0007053900000000, 0.0000000000000000, 0.0006421600000000 ] - [ -0.0039262500000000, 0.0000000000000000, -0.0025766500000000 ] - [ 0.0002302000000000, 0.0000000000000000, 0.0000051300000000 ] - [ -0.0055046900000000, 0.0000000000000000, -0.0002751200000000 ] - [ 0.0001574000000000, 0.0000000000000000, 0.0000180500000000 ] - [ -0.0010600100000000, 0.0000000000000000, -0.0002993200000000 ] - [ -0.0010758700000000, 0.0000000000000000, -0.0002638700000000 ] - [ -0.0002554400000000, 0.0000000000000000, -0.0002968800000000 ] - [ 0.0005070100000000, 0.0000000000000000, 0.0005790200000000 ] - [ 0.0051655100000000, 0.0000000000000000, 0.0012287800000000 ] - [ 0.0018126300000000, 0.0000000000000000, 0.0011137600000000 ] - [ 0.0007636200000000, 0.0000000000000000, 0.0002356900000000 ] - [ -0.0026959300000000, 0.0000000000000000, -0.0010491800000000 ] - [ 0.0009328400000000, 0.0000000000000000, 0.0003095700000000 ] - [ 0.0022697700000000, -0.0011571700000000, 0.0002827400000000 ] - [ -0.0002881200000000, 0.0000000000000000, -0.0010542700000000 ] - [ -0.0012316100000000, 0.0004859300000000, -0.0013500700000000 ] - [ 0.0004510900000000, 0.0000000000000000, -0.0001808700000000 ] - [ -0.0005926300000000, 0.0000000000000000, -0.0001790400000000 ] - [ 0.0001010900000000, -0.0001404600000000, 0.0002093200000000 ] - [ 0.0005845000000000, 0.0000000000000000, 0.0003298500000000 ] - [ -0.0016221200000000, -0.0026714400000000, -0.0041986200000000 ] - [ 0.0001010900000000, 0.0001404600000000, 0.0002093200000000 ] - [ -0.0016221200000000, 0.0026714400000000, -0.0041986200000000 ] - [ -0.0000693600000000, -0.0008072800000000, -0.0022661500000000 ] - [ -0.0012316100000000, -0.0004859300000000, -0.0013500700000000 ] - [ -0.0002884800000000, -0.0005884900000000, -0.0002608100000000 ] - [ -0.0003429300000000, 0.0000061300000000, -0.0005775700000000 ] - [ 0.0029919400000000, 0.0000000000000000, 0.0020976600000000 ] - [ -0.0007936200000000, -0.0005091700000000, 0.0011326700000000 ] - [ 0.0020122300000000, -0.0001321800000000, -0.0027057600000000 ] - [ 0.0032701900000000, -0.0001465100000000, 0.0033927400000000 ] - [ -0.0003429300000000, -0.0000061300000000, -0.0005775700000000 ] - [ 0.0007508400000000, 0.0000000000000000, -0.0018290300000000 ] - [ -0.0012697400000000, 0.0000000000000000, 0.0000692000000000 ] - [ 0.0020122300000000, 0.0001321800000000, -0.0027057600000000 ] - [ 0.0009382100000000, 0.0000000000000000, -0.0033433500000000 ] - [ -0.0004304400000000, 0.0000000000000000, -0.0012927100000000 ] - [ -0.0002884800000000, 0.0005884900000000, -0.0002608100000000 ] - [ 0.0022697700000000, 0.0011571700000000, 0.0002827400000000 ] - [ 0.0032701900000000, 0.0001465100000000, 0.0033927400000000 ] - [ -0.0000693600000000, 0.0008072800000000, -0.0022661500000000 ] - [ 0.0074737000000000, 0.0000000000000000, -0.0026931200000000 ] - [ -0.0007936200000000, 0.0005091700000000, 0.0011326700000000 ] - [ -0.0007588800000000, -0.0000530200000000, 0.0003262600000000 ] - [ -0.0014505600000000, 0.0000000000000000, -0.0008190900000000 ] - [ 0.0003866800000000, -0.0001771500000000, -0.0002522600000000 ] - [ -0.0036306700000000, 0.0000000000000000, -0.0013933500000000 ] - [ 0.0016823100000000, 0.0000000000000000, 0.0003531300000000 ] - [ -0.0057335200000000, -0.0016070400000000, -0.0015246500000000 ] - [ -0.0038991200000000, 0.0000000000000000, -0.0004286500000000 ] - [ 0.0000411600000000, 0.0005146700000000, -0.0000017700000000 ] - [ -0.0057335200000000, 0.0016070400000000, -0.0015246500000000 ] - [ 0.0000411600000000, -0.0005146700000000, -0.0000017700000000 ] - [ 0.0002423200000000, -0.0001906100000000, -0.0000980800000000 ] - [ 0.0003866800000000, 0.0001771500000000, -0.0002522600000000 ] - [ 0.0003765700000000, -0.0005659200000000, -0.0009682700000000 ] - [ -0.0008908500000000, -0.0002849700000000, -0.0010745100000000 ] - [ 0.0000508800000000, 0.0000000000000000, 0.0000053700000000 ] - [ 0.0015653400000000, -0.0003780300000000, 0.0008174500000000 ] - [ 0.0000918200000000, -0.0000137800000000, 0.0000516600000000 ] - [ -0.0005610200000000, 0.0000089700000000, -0.0000481700000000 ] - [ -0.0008908500000000, 0.0002849700000000, -0.0010745100000000 ] - [ -0.0005102200000000, 0.0000000000000000, -0.0002426700000000 ] - [ 0.0020649500000000, 0.0000000000000000, -0.0004198600000000 ] - [ 0.0000918200000000, 0.0000137800000000, 0.0000516600000000 ] - [ 0.0000211300000000, 0.0000000000000000, -0.0003537100000000 ] - [ 0.0004093900000000, 0.0000000000000000, -0.0000448600000000 ] - [ 0.0003765700000000, 0.0005659200000000, -0.0009682700000000 ] - [ -0.0007588800000000, 0.0000530200000000, 0.0003262600000000 ] - [ -0.0005610200000000, -0.0000089700000000, -0.0000481700000000 ] - [ 0.0002423200000000, 0.0001906100000000, -0.0000980800000000 ] - [ -0.0016263800000000, 0.0000000000000000, -0.0001285500000000 ] - [ 0.0015653400000000, 0.0003780300000000, 0.0008174500000000 ] - [ -0.0097451900000000, 0.0000000000000000, 0.0578162800000000 ] - [ -0.0018563100000000, 0.0000000000000000, -0.0019000300000000 ] - [ -0.0000536800000000, 0.0000000000000000, 0.0008535600000000 ] - [ 0.0001419200000000, 0.0000000000000000, 0.0003548600000000 ] - [ 0.0001206100000000, 0.0000000000000000, 0.0001140800000000 ] - [ 0.0002850200000000, 0.0000000000000000, 0.0002480100000000 ] - [ 0.0023993900000000, 0.0000000000000000, 0.0014937400000000 ] - [ -0.0004543100000000, 0.0000000000000000, 0.0016697300000000 ]- atom: 102 displacement: [ 0.0099999904245157, 0.0000000000000000, 0.0000138386991834 ] forces: - [ 0.0069784700000000, 0.0000000000000000, 0.0003540400000000 ] - [ -0.0013549400000000, 0.0000000000000000, 0.0002553200000000 ] - [ -0.0013146900000000, 0.0000000000000000, 0.0016262500000000 ] - [ 0.0013355300000000, 0.0000000000000000, 0.0008263700000000 ] - [ -0.0001069500000000, 0.0000000000000000, -0.0017830500000000 ] - [ -0.0008876300000000, 0.0000000000000000, -0.0003508400000000 ] - [ -0.0014396400000000, 0.0000000000000000, 0.0000835600000000 ] - [ 0.0003720100000000, 0.0000000000000000, -0.0043977500000000 ] - [ -0.0012097500000000, 0.0000000000000000, -0.0009615200000000 ] - [ -0.0010769000000000, 0.0000000000000000, -0.0001240000000000 ] - [ -0.0008884800000000, 0.0000000000000000, 0.0003232100000000 ] - [ 0.0003929400000000, 0.0000000000000000, 0.0011801700000000 ] - [ 0.0154469700000000, 0.0000000000000000, -0.0057447500000000 ] - [ -0.0010074400000000, 0.0000000000000000, 0.0007662300000000 ] - [ 0.0046638800000000, 0.0000000000000000, 0.0001374100000000 ] - [ -0.0028185900000000, 0.0000000000000000, -0.0000884300000000 ] - [ -0.0015818600000000, 0.0000000000000000, -0.0006156800000000 ] - [ -0.0005044800000000, 0.0000000000000000, -0.0005823700000000 ] - [ -0.0016079700000000, 0.0000000000000000, -0.0007250400000000 ] - [ -0.0036170200000000, 0.0000000000000000, 0.0014240200000000 ] - [ 0.0063146200000000, 0.0000000000000000, 0.0020806200000000 ] - [ 0.0006450000000000, 0.0000000000000000, 0.0002246500000000 ] - [ -0.0042987500000000, 0.0000000000000000, -0.0010858800000000 ] - [ 0.0032911200000000, 0.0000000000000000, 0.0003309500000000 ] - [ -0.0005760100000000, 0.0000000000000000, -0.0002394900000000 ] - [ -0.0009121000000000, 0.0000000000000000, -0.0002301000000000 ] - [ 0.0002121800000000, 0.0000000000000000, 0.0003306800000000 ] - [ 0.0075307800000000, 0.0000000000000000, 0.0040479100000000 ] - [ -0.0030727300000000, 0.0000000000000000, -0.0011220500000000 ] - [ 0.0008807000000000, 0.0000000000000000, 0.0004906400000000 ] - [ -0.0013345400000000, 0.0000000000000000, -0.0004521700000000 ] - [ -0.0019460800000000, 0.0000000000000000, -0.0005680700000000 ] - [ -0.0019803400000000, 0.0000000000000000, -0.0003393300000000 ] - [ -0.0015965300000000, 0.0000000000000000, -0.0009011100000000 ] - [ 0.0006408500000000, 0.0000000000000000, 0.0005836700000000 ] - [ -0.0003382100000000, 0.0000000000000000, -0.0000830700000000 ] - [ -0.0000249100000000, 0.0000000000000000, 0.0002503100000000 ] - [ -0.0001364500000000, 0.0000000000000000, -0.0000277000000000 ] - [ -0.0027590900000000, 0.0000000000000000, -0.0009372500000000 ] - [ -0.0010779500000000, 0.0000000000000000, 0.0002020000000000 ] - [ -0.0003609200000000, 0.0001768100000000, -0.0001783000000000 ] - [ -0.0006819600000000, 0.0000000000000000, 0.0004469200000000 ] - [ 0.0006618400000000, -0.0002707200000000, 0.0049492700000000 ] - [ 0.0010088100000000, 0.0000000000000000, 0.0002032100000000 ] - [ 0.0019517200000000, 0.0000000000000000, 0.0007174900000000 ] - [ 0.0003001700000000, -0.0000843000000000, 0.0000421300000000 ] - [ 0.0006439600000000, 0.0000000000000000, 0.0002416400000000 ] - [ -0.0007390200000000, 0.0001958800000000, -0.0005301800000000 ] - [ 0.0003001700000000, 0.0000843000000000, 0.0000421300000000 ] - [ -0.0007390200000000, -0.0001958800000000, -0.0005301800000000 ] - [ -0.0012005700000000, -0.0015446200000000, -0.0016524400000000 ] - [ 0.0006618400000000, 0.0002707200000000, 0.0049492700000000 ] - [ 0.0006468300000000, -0.0000980800000000, 0.0004792200000000 ] - [ -0.0001097000000000, 0.0001178600000000, 0.0000672900000000 ] - [ -0.0046063600000000, 0.0000000000000000, -0.0001878600000000 ] - [ 0.0023686200000000, -0.0003858400000000, 0.0002063600000000 ] - [ 0.0022985800000000, 0.0030576200000000, -0.0027401500000000 ] - [ -0.0023478800000000, 0.0008674500000000, -0.0038832600000000 ] - [ -0.0001097000000000, -0.0001178600000000, 0.0000672900000000 ] - [ -0.0001162400000000, 0.0000000000000000, -0.0006888800000000 ] - [ 0.0028946400000000, 0.0000000000000000, -0.0001557600000000 ] - [ 0.0022985800000000, -0.0030576200000000, -0.0027401500000000 ] - [ -0.0049784400000000, 0.0000000000000000, -0.0010627400000000 ] - [ -0.0021047700000000, 0.0000000000000000, -0.0002931900000000 ] - [ 0.0006468300000000, 0.0000980800000000, 0.0004792200000000 ] - [ -0.0003609200000000, -0.0001768100000000, -0.0001783000000000 ] - [ -0.0023478800000000, -0.0008674500000000, -0.0038832600000000 ] - [ -0.0012005700000000, 0.0015446200000000, -0.0016524400000000 ] - [ -0.0017619800000000, 0.0000000000000000, -0.0006272100000000 ] - [ 0.0023686200000000, 0.0003858400000000, 0.0002063600000000 ] - [ 0.0005205400000000, -0.0001773800000000, 0.0003866700000000 ] - [ -0.0000264700000000, 0.0000000000000000, -0.0002186500000000 ] - [ 0.0009905200000000, -0.0002114900000000, -0.0001320800000000 ] - [ -0.0008791000000000, 0.0000000000000000, -0.0002920000000000 ] - [ 0.0016884000000000, 0.0000000000000000, 0.0001850500000000 ] - [ -0.0008105400000000, -0.0004527100000000, 0.0007658500000000 ] - [ 0.0000621400000000, 0.0000000000000000, 0.0003496400000000 ] - [ 0.0005552200000000, 0.0006440700000000, 0.0001634200000000 ] - [ -0.0008105400000000, 0.0004527100000000, 0.0007658500000000 ] - [ 0.0005552200000000, -0.0006440700000000, 0.0001634200000000 ] - [ 0.0008910700000000, 0.0000972600000000, 0.0003080800000000 ] - [ 0.0009905200000000, 0.0002114900000000, -0.0001320800000000 ] - [ 0.0003271500000000, -0.0005890000000000, -0.0005433900000000 ] - [ -0.0001361300000000, 0.0002194800000000, -0.0000687500000000 ] - [ 0.0007850900000000, 0.0000000000000000, 0.0000746800000000 ] - [ 0.0016544300000000, -0.0003299000000000, 0.0005779300000000 ] - [ 0.0011924200000000, -0.0000650300000000, 0.0001984300000000 ] - [ 0.0000092000000000, -0.0000770600000000, -0.0000788100000000 ] - [ -0.0001361300000000, -0.0002194800000000, -0.0000687500000000 ] - [ 0.0011182300000000, 0.0000000000000000, 0.0001534400000000 ] - [ 0.0026823600000000, 0.0000000000000000, -0.0002295200000000 ] - [ 0.0011924200000000, 0.0000650300000000, 0.0001984300000000 ] - [ 0.0011805300000000, 0.0000000000000000, -0.0000285800000000 ] - [ 0.0014364200000000, 0.0000000000000000, 0.0003895500000000 ] - [ 0.0003271500000000, 0.0005890000000000, -0.0005433900000000 ] - [ 0.0005205400000000, 0.0001773800000000, 0.0003866700000000 ] - [ 0.0000092000000000, 0.0000770600000000, -0.0000788100000000 ] - [ 0.0008910700000000, -0.0000972600000000, 0.0003080800000000 ] - [ 0.0001433600000000, 0.0000000000000000, -0.0002128600000000 ] - [ 0.0016544300000000, 0.0003299000000000, 0.0005779300000000 ] - [ -0.0031423800000000, 0.0000000000000000, 0.0016532100000000 ] - [ -0.0236132700000000, 0.0000000000000000, 0.0082292300000000 ] - [ 0.0006026800000000, 0.0000000000000000, -0.0001452600000000 ] - [ 0.0002318900000000, 0.0000000000000000, -0.0006846400000000 ] - [ 0.0006081900000000, 0.0000000000000000, -0.0001855300000000 ] - [ 0.0007319700000000, 0.0000000000000000, 0.0001396100000000 ] - [ 0.0007756600000000, 0.0000000000000000, 0.0004593700000000 ] - [ 0.0007062200000000, 0.0000000000000000, 0.0009366800000000 ]- atom: 102 displacement: [ -0.0099999904245157, 0.0000000000000000, -0.0000138386991834 ] forces: - [ -0.0071575700000000, 0.0000000000000000, 0.0000023300000000 ] - [ 0.0013537800000000, 0.0000000000000000, -0.0002563100000000 ] - [ 0.0013713600000000, 0.0000000000000000, -0.0019628500000000 ] - [ -0.0016277800000000, 0.0000000000000000, -0.0008264000000000 ] - [ 0.0003886200000000, 0.0000000000000000, 0.0017749700000000 ] - [ 0.0008873100000000, 0.0000000000000000, 0.0003518900000000 ] - [ 0.0013856500000000, 0.0000000000000000, 0.0002395600000000 ] - [ -0.0001803100000000, 0.0000000000000000, 0.0044912700000000 ] - [ 0.0012557900000000, 0.0000000000000000, 0.0006341300000000 ] - [ 0.0007865700000000, 0.0000000000000000, 0.0001343200000000 ] - [ 0.0011830300000000, 0.0000000000000000, -0.0003336300000000 ] - [ -0.0003814600000000, 0.0000000000000000, -0.0011859300000000 ] - [ -0.0147802300000000, 0.0000000000000000, 0.0046929100000000 ] - [ 0.0003055800000000, 0.0000000000000000, 0.0002088000000000 ] - [ -0.0047620300000000, 0.0000000000000000, -0.0013461400000000 ] - [ 0.0029210300000000, 0.0000000000000000, 0.0013069400000000 ] - [ 0.0022801100000000, 0.0000000000000000, -0.0003563500000000 ] - [ -0.0001943300000000, 0.0000000000000000, 0.0015419300000000 ] - [ 0.0015048200000000, 0.0000000000000000, -0.0004798700000000 ] - [ 0.0037136200000000, 0.0000000000000000, -0.0001908400000000 ] - [ -0.0060341700000000, 0.0000000000000000, -0.0020450600000000 ] - [ -0.0024635600000000, 0.0000000000000000, -0.0007297100000000 ] - [ 0.0039177900000000, 0.0000000000000000, 0.0005459900000000 ] - [ -0.0043544000000000, 0.0000000000000000, -0.0012270300000000 ] - [ 0.0024123800000000, 0.0000000000000000, 0.0007484100000000 ] - [ 0.0007564200000000, 0.0000000000000000, 0.0002174600000000 ] - [ 0.0008143600000000, 0.0000000000000000, 0.0005538200000000 ] - [ -0.0056577000000000, 0.0000000000000000, -0.0033960700000000 ] - [ 0.0011910100000000, 0.0000000000000000, 0.0004801100000000 ] - [ -0.0005031300000000, 0.0000000000000000, 0.0000492200000000 ] - [ 0.0014819500000000, 0.0000000000000000, 0.0004601500000000 ] - [ 0.0001156500000000, 0.0000000000000000, 0.0000612900000000 ] - [ 0.0015982500000000, 0.0000000000000000, -0.0002020200000000 ] - [ 0.0005316800000000, 0.0000000000000000, -0.0000021100000000 ] - [ 0.0012200500000000, 0.0000000000000000, -0.0000596100000000 ] - [ 0.0001791600000000, 0.0000000000000000, 0.0000689500000000 ] - [ 0.0010701400000000, 0.0000000000000000, 0.0006431900000000 ] - [ 0.0020428300000000, 0.0000000000000000, 0.0006783600000000 ] - [ 0.0008574000000000, 0.0000000000000000, 0.0002874300000000 ] - [ 0.0014534200000000, 0.0000000000000000, 0.0003385300000000 ] - [ 0.0002239200000000, -0.0001770500000000, 0.0005273600000000 ] - [ -0.0004077600000000, 0.0000000000000000, -0.0008386300000000 ] - [ -0.0005117100000000, 0.0002583200000000, -0.0053349700000000 ] - [ -0.0006552700000000, 0.0000000000000000, -0.0001250700000000 ] - [ -0.0017384700000000, 0.0000000000000000, -0.0004995900000000 ] - [ -0.0007895100000000, 0.0000190700000000, -0.0000336800000000 ] - [ -0.0007446900000000, 0.0000000000000000, 0.0002831700000000 ] - [ 0.0007786200000000, 0.0007336700000000, 0.0005364800000000 ] - [ -0.0007895100000000, -0.0000190700000000, -0.0000336800000000 ] - [ 0.0007786200000000, -0.0007336700000000, 0.0005364800000000 ] - [ 0.0018863800000000, 0.0013513500000000, 0.0018837000000000 ] - [ -0.0005117100000000, -0.0002583200000000, -0.0053349700000000 ] - [ -0.0006901900000000, -0.0008351300000000, -0.0004872400000000 ] - [ -0.0005670700000000, 0.0000894800000000, -0.0002818600000000 ] - [ 0.0043960800000000, 0.0000000000000000, -0.0000443200000000 ] - [ -0.0010500200000000, 0.0002761700000000, 0.0003253900000000 ] - [ -0.0017835700000000, -0.0029399600000000, 0.0026820100000000 ] - [ 0.0010347900000000, -0.0007506400000000, 0.0033631900000000 ] - [ -0.0005670700000000, -0.0000894800000000, -0.0002818600000000 ] - [ -0.0002748900000000, 0.0000000000000000, 0.0006157700000000 ] - [ -0.0009808800000000, 0.0000000000000000, 0.0004509700000000 ] - [ -0.0017835700000000, 0.0029399600000000, 0.0026820100000000 ] - [ 0.0050161600000000, 0.0000000000000000, 0.0005426500000000 ] - [ 0.0032162500000000, 0.0000000000000000, 0.0006897600000000 ] - [ -0.0006901900000000, 0.0008351300000000, -0.0004872400000000 ] - [ 0.0002239200000000, 0.0001770500000000, 0.0005273600000000 ] - [ 0.0010347900000000, 0.0007506400000000, 0.0033631900000000 ] - [ 0.0018863800000000, -0.0013513500000000, 0.0018837000000000 ] - [ -0.0001355300000000, 0.0000000000000000, 0.0003328500000000 ] - [ -0.0010500200000000, -0.0002761700000000, 0.0003253900000000 ] - [ -0.0006619100000000, 0.0001813100000000, -0.0000384700000000 ] - [ -0.0010678300000000, 0.0000000000000000, -0.0001727400000000 ] - [ -0.0008491700000000, 0.0002106400000000, -0.0002157400000000 ] - [ 0.0012243600000000, 0.0000000000000000, 0.0003712400000000 ] - [ -0.0014684900000000, 0.0000000000000000, 0.0000300000000000 ] - [ 0.0003153200000000, 0.0003838000000000, -0.0007538800000000 ] - [ -0.0001640700000000, 0.0000000000000000, 0.0001741300000000 ] - [ -0.0005105700000000, 0.0002874400000000, -0.0001561700000000 ] - [ 0.0003153200000000, -0.0003838000000000, -0.0007538800000000 ] - [ -0.0005105700000000, -0.0002874400000000, -0.0001561700000000 ] - [ -0.0002138000000000, -0.0003057300000000, -0.0000942300000000 ] - [ -0.0008491700000000, -0.0002106400000000, -0.0002157400000000 ] - [ -0.0003796900000000, -0.0003520500000000, 0.0005299800000000 ] - [ -0.0005431100000000, -0.0000125900000000, -0.0001445500000000 ] - [ -0.0010000200000000, 0.0000000000000000, -0.0002938500000000 ] - [ -0.0003351800000000, 0.0002180600000000, -0.0000467900000000 ] - [ -0.0007017400000000, 0.0001308400000000, -0.0002072800000000 ] - [ -0.0013268000000000, 0.0001900400000000, -0.0004544500000000 ] - [ -0.0005431100000000, 0.0000125900000000, -0.0001445500000000 ] - [ -0.0014643200000000, 0.0000000000000000, -0.0002309700000000 ] - [ -0.0007793100000000, 0.0000000000000000, 0.0005245300000000 ] - [ -0.0007017400000000, -0.0001308400000000, -0.0002072800000000 ] - [ -0.0010774600000000, 0.0000000000000000, -0.0004956800000000 ] - [ -0.0003436000000000, 0.0000000000000000, 0.0000009000000000 ] - [ -0.0003796900000000, 0.0003520500000000, 0.0005299800000000 ] - [ -0.0006619100000000, -0.0001813100000000, -0.0000384700000000 ] - [ -0.0013268000000000, -0.0001900400000000, -0.0004544500000000 ] - [ -0.0002138000000000, 0.0003057300000000, -0.0000942300000000 ] - [ -0.0020405500000000, 0.0000000000000000, -0.0000845900000000 ] - [ -0.0003351800000000, -0.0002180600000000, -0.0000467900000000 ] - [ 0.0032309000000000, 0.0000000000000000, -0.0019675900000000 ] - [ 0.0238709700000000, 0.0000000000000000, -0.0078184000000000 ] - [ -0.0007068200000000, 0.0000000000000000, 0.0004495200000000 ] - [ -0.0006276900000000, 0.0000000000000000, 0.0003436200000000 ] - [ -0.0005038400000000, 0.0000000000000000, -0.0001184700000000 ] - [ -0.0003357000000000, 0.0000000000000000, 0.0002019100000000 ] - [ -0.0008773700000000, 0.0000000000000000, -0.0001607100000000 ] - [ -0.0010931900000000, 0.0000000000000000, -0.0012700800000000 ]- atom: 102 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001452700000000, -0.0007184600000000, 0.0001832100000000 ] - [ 0.0000050200000000, 0.0000002100000000, -0.0000010800000000 ] - [ 0.0000337100000000, 0.0000317100000000, -0.0001722300000000 ] - [ -0.0001495400000000, -0.0000073700000000, -0.0000025400000000 ] - [ 0.0001414200000000, -0.0002458300000000, -0.0000001400000000 ] - [ 0.0000012500000000, -0.0000015900000000, 0.0000017900000000 ] - [ -0.0000274600000000, -0.0000013700000000, 0.0001632000000000 ] - [ 0.0000088100000000, 0.0022387500000000, 0.0000153200000000 ] - [ 0.0000311100000000, 0.0000022700000000, -0.0001639800000000 ] - [ -0.0001431900000000, -0.0000002400000000, 0.0000054100000000 ] - [ 0.0001497700000000, 0.0000027300000000, -0.0000029600000000 ] - [ 0.0000015200000000, 0.0000055600000000, -0.0000022400000000 ] - [ 0.0003296800000000, 0.0061996200000000, -0.0004493900000000 ] - [ -0.0003424700000000, -0.0000026300000000, 0.0004791600000000 ] - [ -0.0000597200000000, -0.0003735900000000, -0.0006280800000000 ] - [ 0.0000621700000000, -0.0000561800000000, 0.0006143600000000 ] - [ 0.0003479500000000, 0.0000044600000000, -0.0004830500000000 ] - [ -0.0003447000000000, -0.0000059900000000, 0.0004848400000000 ] - [ -0.0000532100000000, 0.0000010100000000, -0.0006081800000000 ] - [ 0.0000617800000000, -0.0002416200000000, 0.0006127400000000 ] - [ 0.0000150200000000, -0.0056762100000000, -0.0000167000000000 ] - [ -0.0009281500000000, -0.0000062900000000, -0.0002575100000000 ] - [ -0.0002013800000000, 0.0042160400000000, -0.0002758500000000 ] - [ -0.0005379800000000, 0.0005312100000000, -0.0004472200000000 ] - [ 0.0009264800000000, 0.0000064500000000, 0.0002571100000000 ] - [ -0.0000688200000000, 0.0000001600000000, -0.0000027800000000 ] - [ 0.0005220600000000, -0.0000229100000000, 0.0004466300000000 ] - [ 0.0009279100000000, 0.0025060500000000, 0.0003316200000000 ] - [ -0.0009319100000000, 0.0006121800000000, -0.0003180400000000 ] - [ 0.0001883900000000, -0.0000480400000000, 0.0002693700000000 ] - [ 0.0000750000000000, 0.0000060000000000, 0.0000044200000000 ] - [ -0.0009198000000000, 0.0000066500000000, -0.0002542800000000 ] - [ -0.0001833700000000, 0.0000065300000000, -0.0002700700000000 ] - [ -0.0005221800000000, 0.0000048800000000, -0.0004464500000000 ] - [ 0.0009265400000000, 0.0002184600000000, 0.0002598500000000 ] - [ -0.0000774700000000, 0.0000569500000000, -0.0000071400000000 ] - [ 0.0005246900000000, 0.0000014500000000, 0.0004484300000000 ] - [ 0.0009450000000000, 0.0000046600000000, 0.0003227100000000 ] - [ -0.0009433300000000, -0.0000254200000000, -0.0003225500000000 ] - [ 0.0001851900000000, -0.0000001300000000, 0.0002707800000000 ] - [ -0.0000670800000000, 0.0000174600000000, 0.0001594400000000 ] - [ -0.0005442900000000, -0.0000041200000000, -0.0001969200000000 ] - [ 0.0023011700000000, -0.0010320400000000, 0.0021432300000000 ] - [ 0.0001721600000000, 0.0000000200000000, 0.0000402700000000 ] - [ 0.0001049300000000, -0.0001653600000000, 0.0001076800000000 ] - [ -0.0002444000000000, -0.0000343300000000, 0.0000047300000000 ] - [ -0.0000502700000000, 0.0000008000000000, 0.0002629900000000 ] - [ 0.0000209700000000, 0.0004683000000000, 0.0000035000000000 ] - [ -0.0002443200000000, 0.0000344600000000, 0.0000049500000000 ] - [ 0.0000216000000000, -0.0004638200000000, 0.0000069200000000 ] - [ 0.0001208100000000, -0.0007820600000000, -0.0003998600000000 ] - [ -0.0021370200000000, -0.0010450000000000, -0.0025063600000000 ] - [ -0.0000273300000000, -0.0004643200000000, -0.0000007800000000 ] - [ -0.0003429800000000, 0.0001133600000000, -0.0001168600000000 ] - [ -0.0000983600000000, -0.0004551400000000, -0.0001164400000000 ] - [ 0.0011639000000000, -0.0001560700000000, 0.0002435200000000 ] - [ 0.0017284600000000, 0.0030053300000000, -0.0022251200000000 ] - [ -0.0009723900000000, -0.0003570700000000, 0.0006592700000000 ] - [ -0.0003339400000000, -0.0000966900000000, -0.0000946600000000 ] - [ -0.0001924000000000, -0.0000312000000000, -0.0000351300000000 ] - [ 0.0009591900000000, -0.0006396400000000, 0.0001450500000000 ] - [ -0.0012240300000000, 0.0029657200000000, 0.0022209200000000 ] - [ 0.0001043500000000, 0.0065376400000000, -0.0003154100000000 ] - [ 0.0005579400000000, -0.0000935700000000, 0.0002014300000000 ] - [ -0.0000156600000000, 0.0004679200000000, -0.0000096200000000 ] - [ -0.0000687600000000, 0.0000179000000000, 0.0001908700000000 ] - [ -0.0003399600000000, -0.0004549500000000, -0.0011739000000000 ] - [ 0.0005680000000000, -0.0005958500000000, 0.0006346400000000 ] - [ -0.0009531200000000, 0.0000538900000000, -0.0001444700000000 ] - [ 0.0001286400000000, -0.0000389700000000, 0.0002897800000000 ] - [ -0.0000708900000000, 0.0000026100000000, 0.0001738600000000 ] - [ -0.0005478800000000, 0.0000004000000000, -0.0001966100000000 ] - [ 0.0000681600000000, -0.0000015200000000, -0.0001729900000000 ] - [ 0.0001743800000000, -0.0000006000000000, 0.0000419900000000 ] - [ 0.0001106500000000, -0.0000053800000000, 0.0001112200000000 ] - [ -0.0002338300000000, -0.0000562600000000, 0.0000462800000000 ] - [ -0.0000488600000000, -0.0000068700000000, 0.0002610200000000 ] - [ 0.0000210600000000, 0.0004660800000000, 0.0000050400000000 ] - [ -0.0002521400000000, 0.0000089800000000, -0.0000405400000000 ] - [ 0.0000214600000000, -0.0004657700000000, 0.0000037400000000 ] - [ 0.0003381000000000, -0.0001050700000000, 0.0001067800000000 ] - [ 0.0000664800000000, 0.0000000900000000, -0.0001736600000000 ] - [ 0.0000340900000000, -0.0005104300000000, -0.0000319400000000 ] - [ -0.0003380500000000, 0.0001063900000000, -0.0001061800000000 ] - [ -0.0001153000000000, -0.0000004000000000, -0.0001115600000000 ] - [ 0.0006699000000000, -0.0000430500000000, 0.0002792900000000 ] - [ 0.0002477200000000, 0.0000327200000000, -0.0000042400000000 ] - [ -0.0006615000000000, 0.0000559400000000, -0.0002676300000000 ] - [ -0.0003409700000000, -0.0001033600000000, -0.0001042200000000 ] - [ -0.0001746100000000, -0.0000010500000000, -0.0000402000000000 ] - [ 0.0009497600000000, -0.0000026400000000, 0.0001473500000000 ] - [ 0.0002371200000000, -0.0000354700000000, -0.0000056100000000 ] - [ 0.0000451600000000, -0.0000018400000000, -0.0002631100000000 ] - [ 0.0005458300000000, 0.0000004500000000, 0.0001984100000000 ] - [ -0.0000843700000000, 0.0004270800000000, 0.0000226000000000 ] - [ -0.0000720100000000, -0.0000040100000000, 0.0001723900000000 ] - [ -0.0006621600000000, -0.0000578900000000, -0.0002679400000000 ] - [ 0.0003383500000000, 0.0001050500000000, 0.0001058000000000 ] - [ -0.0009554500000000, -0.0000011300000000, -0.0001450300000000 ] - [ 0.0006465300000000, 0.0000670100000000, 0.0002521700000000 ] - [ 0.0000731900000000, 0.0044732900000000, -0.0001142800000000 ] - [ 0.0003021600000000, -0.0203433700000000, 0.0001209100000000 ] - [ -0.0000546200000000, 0.0000099100000000, 0.0001512400000000 ] - [ -0.0001995000000000, -0.0000072300000000, -0.0001703100000000 ] - [ 0.0000519700000000, -0.0000005400000000, -0.0001514700000000 ] - [ 0.0001973700000000, 0.0000000000000000, 0.0001713400000000 ] - [ -0.0000526900000000, -0.0000284600000000, 0.0001499500000000 ] - [ -0.0002009500000000, 0.0000236000000000, -0.0001760300000000 ]- atom: 102 displacement: [ -0.0008279422113706, 0.0000000000000000, 0.0099656666457709 ] forces: - [ 0.0023098500000000, 0.0000000000000000, 0.0124004700000000 ] - [ 0.0004468400000000, 0.0000000000000000, 0.0001956100000000 ] - [ 0.0030972200000000, 0.0000000000000000, -0.0007675600000000 ] - [ -0.0005258700000000, 0.0000000000000000, -0.0043124200000000 ] - [ -0.0020849300000000, 0.0000000000000000, -0.0008149300000000 ] - [ -0.0002923100000000, 0.0000000000000000, -0.0002391400000000 ] - [ 0.0001251000000000, 0.0000000000000000, 0.0005197900000000 ] - [ -0.0076521200000000, 0.0000000000000000, 0.0033582700000000 ] - [ -0.0007752400000000, 0.0000000000000000, 0.0003502000000000 ] - [ -0.0002016600000000, 0.0000000000000000, -0.0003629600000000 ] - [ 0.0010197000000000, 0.0000000000000000, -0.0004871200000000 ] - [ 0.0016275200000000, 0.0000000000000000, -0.0030147200000000 ] - [ -0.0071496600000000, 0.0000000000000000, 0.0301199200000000 ] - [ 0.0003262500000000, 0.0000000000000000, -0.0011613900000000 ] - [ -0.0013196000000000, 0.0000000000000000, -0.0089792000000000 ] - [ -0.0006567200000000, 0.0000000000000000, 0.0031584400000000 ] - [ 0.0005139800000000, 0.0000000000000000, -0.0002795200000000 ] - [ -0.0013577500000000, 0.0000000000000000, -0.0018721000000000 ] - [ -0.0000066000000000, 0.0000000000000000, -0.0007133500000000 ] - [ 0.0024872200000000, 0.0000000000000000, 0.0037133400000000 ] - [ 0.0043461100000000, 0.0000000000000000, 0.0027266700000000 ] - [ -0.0024673500000000, 0.0000000000000000, -0.0010886300000000 ] - [ -0.0062172900000000, 0.0000000000000000, 0.0001085400000000 ] - [ -0.0056929700000000, 0.0000000000000000, -0.0015602700000000 ] - [ 0.0005198100000000, 0.0000000000000000, 0.0001435700000000 ] - [ 0.0003184400000000, 0.0000000000000000, 0.0001246300000000 ] - [ -0.0009424500000000, 0.0000000000000000, -0.0002992100000000 ] - [ 0.0032425800000000, 0.0000000000000000, -0.0036069000000000 ] - [ 0.0005824800000000, 0.0000000000000000, 0.0003329200000000 ] - [ 0.0019038100000000, 0.0000000000000000, -0.0001252300000000 ] - [ 0.0002499600000000, 0.0000000000000000, 0.0000867200000000 ] - [ -0.0010639500000000, 0.0000000000000000, -0.0003178600000000 ] - [ 0.0005760000000000, 0.0000000000000000, -0.0002372800000000 ] - [ -0.0004935100000000, 0.0000000000000000, -0.0004378900000000 ] - [ 0.0057059200000000, 0.0000000000000000, 0.0023355100000000 ] - [ -0.0023418600000000, 0.0000000000000000, -0.0007385600000000 ] - [ 0.0003658900000000, 0.0000000000000000, 0.0002924700000000 ] - [ 0.0009526700000000, 0.0000000000000000, 0.0003405100000000 ] - [ -0.0008212400000000, 0.0000000000000000, -0.0002326600000000 ] - [ -0.0002625000000000, 0.0000000000000000, 0.0002347300000000 ] - [ -0.0006544200000000, 0.0002546400000000, 0.0008707000000000 ] - [ 0.0004223000000000, 0.0000000000000000, 0.0006811200000000 ] - [ 0.0058562100000000, 0.0014099100000000, 0.0004891800000000 ] - [ 0.0002242700000000, 0.0000000000000000, 0.0002571700000000 ] - [ -0.0011359700000000, 0.0000000000000000, -0.0005609300000000 ] - [ -0.0004151300000000, 0.0000393600000000, 0.0000048100000000 ] - [ -0.0005704600000000, 0.0000000000000000, 0.0006295800000000 ] - [ 0.0003515600000000, 0.0010464200000000, 0.0022216100000000 ] - [ -0.0004151300000000, -0.0000393600000000, 0.0000048100000000 ] - [ 0.0003515600000000, -0.0010464200000000, 0.0022216100000000 ] - [ 0.0018421100000000, 0.0033085900000000, 0.0046365000000000 ] - [ 0.0058562100000000, -0.0014099100000000, 0.0004891800000000 ] - [ 0.0004271500000000, -0.0004748800000000, -0.0002433900000000 ] - [ 0.0002278900000000, 0.0004839400000000, 0.0006113200000000 ] - [ -0.0011809800000000, 0.0000000000000000, 0.0039696300000000 ] - [ -0.0006544700000000, 0.0000498700000000, -0.0006170100000000 ] - [ -0.0036599900000000, -0.0001835400000000, -0.0027927100000000 ] - [ -0.0020414300000000, 0.0006351900000000, 0.0025831900000000 ] - [ 0.0002278900000000, -0.0004839400000000, 0.0006113200000000 ] - [ -0.0071229700000000, 0.0000000000000000, 0.0014667400000000 ] - [ 0.0059547700000000, 0.0000000000000000, -0.0006568300000000 ] - [ -0.0036599900000000, 0.0001835400000000, -0.0027927100000000 ] - [ -0.0021938700000000, 0.0000000000000000, -0.0025812200000000 ] - [ 0.0041949300000000, 0.0000000000000000, 0.0021461500000000 ] - [ 0.0004271500000000, 0.0004748800000000, -0.0002433900000000 ] - [ -0.0006544200000000, -0.0002546400000000, 0.0008707000000000 ] - [ -0.0020414300000000, -0.0006351900000000, 0.0025831900000000 ] - [ 0.0018421100000000, -0.0033085900000000, 0.0046365000000000 ] - [ -0.0027476600000000, 0.0000000000000000, 0.0018768900000000 ] - [ -0.0006544700000000, -0.0000498700000000, -0.0006170100000000 ] - [ 0.0002424400000000, -0.0000107500000000, 0.0003356400000000 ] - [ -0.0004831900000000, 0.0000000000000000, -0.0000028200000000 ] - [ -0.0002618700000000, 0.0001360400000000, -0.0002470000000000 ] - [ 0.0009105100000000, 0.0000000000000000, 0.0011876500000000 ] - [ 0.0003441900000000, 0.0000000000000000, -0.0010051700000000 ] - [ 0.0010879500000000, -0.0002893100000000, 0.0010149800000000 ] - [ 0.0016368800000000, 0.0000000000000000, 0.0008856400000000 ] - [ 0.0000807300000000, 0.0005129400000000, 0.0001254300000000 ] - [ 0.0010879500000000, 0.0002893100000000, 0.0010149800000000 ] - [ 0.0000807300000000, -0.0005129400000000, 0.0001254300000000 ] - [ 0.0003530800000000, -0.0001189300000000, 0.0001378900000000 ] - [ -0.0002618700000000, -0.0001360400000000, -0.0002470000000000 ] - [ -0.0018494800000000, -0.0017389500000000, -0.0007076000000000 ] - [ -0.0004873800000000, 0.0003215900000000, 0.0006402600000000 ] - [ -0.0001448900000000, 0.0000000000000000, -0.0000720700000000 ] - [ 0.0004249900000000, -0.0000761500000000, -0.0001067900000000 ] - [ 0.0001637200000000, 0.0000848200000000, -0.0001683900000000 ] - [ -0.0006008600000000, 0.0000945400000000, -0.0003558500000000 ] - [ -0.0004873800000000, -0.0003215900000000, 0.0006402600000000 ] - [ 0.0001767200000000, 0.0000000000000000, 0.0000858100000000 ] - [ 0.0001187600000000, 0.0000000000000000, 0.0001845700000000 ] - [ 0.0001637200000000, -0.0000848200000000, -0.0001683900000000 ] - [ -0.0001092400000000, 0.0000000000000000, -0.0003328700000000 ] - [ 0.0004092100000000, 0.0000000000000000, 0.0003756700000000 ] - [ -0.0018494800000000, 0.0017389500000000, -0.0007076000000000 ] - [ 0.0002424400000000, 0.0000107500000000, 0.0003356400000000 ] - [ -0.0006008600000000, -0.0000945400000000, -0.0003558500000000 ] - [ 0.0003530800000000, 0.0001189300000000, 0.0001378900000000 ] - [ -0.0006086700000000, 0.0000000000000000, -0.0000968400000000 ] - [ 0.0004249900000000, 0.0000761500000000, -0.0001067900000000 ] - [ 0.0020118900000000, 0.0000000000000000, 0.0019062100000000 ] - [ 0.0099754300000000, 0.0000000000000000, -0.0543646000000000 ] - [ -0.0004390100000000, 0.0000000000000000, -0.0003793500000000 ] - [ -0.0007465400000000, 0.0000000000000000, 0.0002074700000000 ] - [ -0.0000451600000000, 0.0000000000000000, -0.0002343000000000 ] - [ 0.0001254100000000, 0.0000000000000000, 0.0000063400000000 ] - [ 0.0009417100000000, 0.0000000000000000, -0.0016304100000000 ] - [ 0.0008241800000000, 0.0000000000000000, 0.0002917700000000 ]- atom: 102 displacement: [ 0.0008279422113706, 0.0000000000000000, -0.0099656666457709 ] forces: - [ -0.0024271400000000, 0.0000000000000000, -0.0120369000000000 ] - [ -0.0004549200000000, 0.0000000000000000, -0.0001939300000000 ] - [ -0.0030566400000000, 0.0000000000000000, 0.0004720700000000 ] - [ 0.0002529500000000, 0.0000000000000000, 0.0043471600000000 ] - [ 0.0023867500000000, 0.0000000000000000, 0.0007863300000000 ] - [ 0.0002934400000000, 0.0000000000000000, 0.0002397400000000 ] - [ -0.0001727500000000, 0.0000000000000000, -0.0002017500000000 ] - [ 0.0077440700000000, 0.0000000000000000, -0.0032770100000000 ] - [ 0.0008177700000000, 0.0000000000000000, -0.0006721300000000 ] - [ -0.0000905700000000, 0.0000000000000000, 0.0003767600000000 ] - [ -0.0007389500000000, 0.0000000000000000, 0.0004783700000000 ] - [ -0.0016494300000000, 0.0000000000000000, 0.0030291300000000 ] - [ 0.0084773200000000, 0.0000000000000000, -0.0332414000000000 ] - [ -0.0010073400000000, 0.0000000000000000, 0.0021484100000000 ] - [ 0.0012021200000000, 0.0000000000000000, 0.0078100000000000 ] - [ 0.0007482300000000, 0.0000000000000000, -0.0019661300000000 ] - [ 0.0001685300000000, 0.0000000000000000, -0.0006963700000000 ] - [ 0.0006595200000000, 0.0000000000000000, 0.0028627800000000 ] - [ -0.0001111800000000, 0.0000000000000000, -0.0004926800000000 ] - [ -0.0023648700000000, 0.0000000000000000, -0.0025188100000000 ] - [ -0.0042066300000000, 0.0000000000000000, -0.0027351300000000 ] - [ 0.0006302500000000, 0.0000000000000000, 0.0005803000000000 ] - [ 0.0058426900000000, 0.0000000000000000, -0.0006713300000000 ] - [ 0.0047038300000000, 0.0000000000000000, 0.0006709200000000 ] - [ 0.0013275000000000, 0.0000000000000000, 0.0003692100000000 ] - [ -0.0004594300000000, 0.0000000000000000, -0.0001304700000000 ] - [ 0.0020000000000000, 0.0000000000000000, 0.0011987700000000 ] - [ -0.0012875200000000, 0.0000000000000000, 0.0042500300000000 ] - [ -0.0025052800000000, 0.0000000000000000, -0.0009907400000000 ] - [ -0.0015162500000000, 0.0000000000000000, 0.0006697600000000 ] - [ -0.0001110200000000, 0.0000000000000000, -0.0000801700000000 ] - [ -0.0007826100000000, 0.0000000000000000, -0.0001939200000000 ] - [ -0.0009523200000000, 0.0000000000000000, -0.0003031000000000 ] - [ -0.0005662600000000, 0.0000000000000000, -0.0004611100000000 ] - [ -0.0039328900000000, 0.0000000000000000, -0.0018584000000000 ] - [ 0.0022015200000000, 0.0000000000000000, 0.0007312000000000 ] - [ 0.0006701300000000, 0.0000000000000000, 0.0005984000000000 ] - [ 0.0009505700000000, 0.0000000000000000, 0.0003096500000000 ] - [ -0.0010831800000000, 0.0000000000000000, -0.0004167000000000 ] - [ 0.0006331600000000, 0.0000000000000000, 0.0003070300000000 ] - [ 0.0005049000000000, -0.0002529100000000, -0.0005258600000000 ] - [ -0.0015303800000000, 0.0000000000000000, -0.0010736800000000 ] - [ -0.0057725800000000, -0.0014412200000000, -0.0008099100000000 ] - [ 0.0001259300000000, 0.0000000000000000, -0.0001775700000000 ] - [ 0.0013657300000000, 0.0000000000000000, 0.0007874700000000 ] - [ -0.0000766600000000, -0.0001010900000000, 0.0000021500000000 ] - [ 0.0004668500000000, 0.0000000000000000, -0.0001067200000000 ] - [ -0.0003053700000000, -0.0001187700000000, -0.0022250700000000 ] - [ -0.0000766600000000, 0.0001010900000000, 0.0000021500000000 ] - [ -0.0003053700000000, 0.0001187700000000, -0.0022250700000000 ] - [ -0.0011839300000000, -0.0035588500000000, -0.0044683700000000 ] - [ -0.0057725800000000, 0.0014412200000000, -0.0008099100000000 ] - [ -0.0004708400000000, -0.0004526900000000, 0.0002442000000000 ] - [ -0.0009116600000000, -0.0002812000000000, -0.0008285000000000 ] - [ 0.0009415000000000, 0.0000000000000000, -0.0041309800000000 ] - [ 0.0019932700000000, -0.0001570700000000, 0.0011474100000000 ] - [ 0.0041525300000000, 0.0002498700000000, 0.0028286100000000 ] - [ 0.0007026200000000, -0.0005059700000000, -0.0031061900000000 ] - [ -0.0009116600000000, 0.0002812000000000, -0.0008285000000000 ] - [ 0.0068657400000000, 0.0000000000000000, -0.0015558700000000 ] - [ -0.0040658100000000, 0.0000000000000000, 0.0009523600000000 ] - [ 0.0041525300000000, -0.0002498700000000, 0.0028286100000000 ] - [ 0.0022846100000000, 0.0000000000000000, 0.0021342000000000 ] - [ -0.0031505800000000, 0.0000000000000000, -0.0017631900000000 ] - [ -0.0004708400000000, 0.0004526900000000, 0.0002442000000000 ] - [ 0.0005049000000000, 0.0002529100000000, -0.0005258600000000 ] - [ 0.0007026200000000, 0.0005059700000000, -0.0031061900000000 ] - [ -0.0011839300000000, 0.0035588500000000, -0.0044683700000000 ] - [ 0.0008447300000000, 0.0000000000000000, -0.0021770900000000 ] - [ 0.0019932700000000, 0.0001570700000000, 0.0011474100000000 ] - [ -0.0003877100000000, 0.0000167300000000, 0.0000102500000000 ] - [ -0.0006075500000000, 0.0000000000000000, -0.0003899100000000 ] - [ 0.0004096400000000, -0.0001405600000000, -0.0000987400000000 ] - [ -0.0005554100000000, 0.0000000000000000, -0.0011181000000000 ] - [ -0.0001391300000000, 0.0000000000000000, 0.0012291800000000 ] - [ -0.0015809500000000, 0.0002273300000000, -0.0010167500000000 ] - [ -0.0017455400000000, 0.0000000000000000, -0.0003658900000000 ] - [ -0.0000350800000000, 0.0004175900000000, -0.0001197700000000 ] - [ -0.0015809500000000, -0.0002273300000000, -0.0010167500000000 ] - [ -0.0000350800000000, -0.0004175900000000, -0.0001197700000000 ] - [ 0.0003283600000000, -0.0000855700000000, 0.0000808300000000 ] - [ 0.0004096400000000, 0.0001405600000000, -0.0000987400000000 ] - [ 0.0018261900000000, 0.0008275900000000, 0.0007202800000000 ] - [ -0.0001897700000000, -0.0001178000000000, -0.0008603000000000 ] - [ -0.0000613800000000, 0.0000000000000000, -0.0001448200000000 ] - [ 0.0008856700000000, -0.0000302300000000, 0.0006391200000000 ] - [ 0.0003321200000000, -0.0000238100000000, 0.0001626900000000 ] - [ -0.0007096500000000, 0.0000110300000000, -0.0001756600000000 ] - [ -0.0001897700000000, 0.0001178000000000, -0.0008603000000000 ] - [ -0.0005224900000000, 0.0000000000000000, -0.0001622300000000 ] - [ 0.0017848400000000, 0.0000000000000000, 0.0001120700000000 ] - [ 0.0003321200000000, 0.0000238100000000, 0.0001626900000000 ] - [ 0.0002150900000000, 0.0000000000000000, -0.0001894300000000 ] - [ 0.0006927900000000, 0.0000000000000000, 0.0000212500000000 ] - [ 0.0018261900000000, -0.0008275900000000, 0.0007202800000000 ] - [ -0.0003877100000000, -0.0000167300000000, 0.0000102500000000 ] - [ -0.0007096500000000, -0.0000110300000000, -0.0001756600000000 ] - [ 0.0003283600000000, 0.0000855700000000, 0.0000808300000000 ] - [ -0.0012839300000000, 0.0000000000000000, -0.0001964500000000 ] - [ 0.0008856700000000, 0.0000302300000000, 0.0006391200000000 ] - [ -0.0019041900000000, 0.0000000000000000, -0.0022575700000000 ] - [ -0.0101029000000000, 0.0000000000000000, 0.0565877200000000 ] - [ 0.0003323200000000, 0.0000000000000000, 0.0006787000000000 ] - [ 0.0003459400000000, 0.0000000000000000, -0.0005558100000000 ] - [ 0.0001573400000000, 0.0000000000000000, -0.0000724800000000 ] - [ 0.0002784600000000, 0.0000000000000000, 0.0003358800000000 ] - [ -0.0010585200000000, 0.0000000000000000, 0.0019405800000000 ] - [ -0.0012294200000000, 0.0000000000000000, -0.0006402700000000 ]