# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6784753d-dc7f-4744-a142-39a22304e06d/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 La3CBr5 / C2/c (15) / materials id 568484](https://mdr.nims.go.jp/datasets/dcb4ff70-770b-4592-9a50-f3d38bfde6bc) ## 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/c" number: 15 Hall_symbol: "-C 2yc"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, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.066819275000000, -5.381165490000000, -0.003709790000000 ] # a - [ 7.066819275000000, 5.381165490000000, -0.003709790000000 ] # b - [ -4.175120030000000, 0.000000000000000, 13.820332720000000 ] # c points: - symbol: La # 1 coordinates: [ 0.338222840000000, 0.383354520000000, 0.594351950000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.287498510000000, 0.009622210000000, 0.675190610000000 ] mass: 138.905470 - symbol: La # 3 coordinates: [ 0.015400390000000, 0.681647930000000, 0.087853450000000 ] mass: 138.905470 - symbol: La # 4 coordinates: [ 0.712501490000000, 0.990377790000000, 0.324809390000000 ] mass: 138.905470 - symbol: La # 5 coordinates: [ 0.984599610000000, 0.318352070000000, 0.912146550000000 ] mass: 138.905470 - symbol: La # 6 coordinates: [ 0.318352070000000, 0.984599610000000, 0.412146550000000 ] mass: 138.905470 - symbol: La # 7 coordinates: [ 0.681647930000000, 0.015400390000000, 0.587853450000000 ] mass: 138.905470 - symbol: La # 8 coordinates: [ 0.009622210000000, 0.287498510000000, 0.175190610000000 ] mass: 138.905470 - symbol: La # 9 coordinates: [ 0.661777160000000, 0.616645480000000, 0.405648050000000 ] mass: 138.905470 - symbol: La # 10 coordinates: [ 0.383354520000000, 0.338222840000000, 0.094351950000000 ] mass: 138.905470 - symbol: La # 11 coordinates: [ 0.616645480000000, 0.661777160000000, 0.905648050000000 ] mass: 138.905470 - symbol: La # 12 coordinates: [ 0.990377790000000, 0.712501490000000, 0.824809390000000 ] mass: 138.905470 - symbol: C # 13 coordinates: [ 0.604674330000000, 0.887692150000000, 0.420760620000000 ] mass: 12.010700 - symbol: C # 14 coordinates: [ 0.395325670000000, 0.112307850000000, 0.579239380000000 ] mass: 12.010700 - symbol: C # 15 coordinates: [ 0.887692150000000, 0.604674330000000, 0.920760620000000 ] mass: 12.010700 - symbol: C # 16 coordinates: [ 0.112307850000000, 0.395325670000000, 0.079239380000000 ] mass: 12.010700 - symbol: Br # 17 coordinates: [ 0.978741860000000, 0.021258140000000, 0.750000000000000 ] mass: 79.904000 - symbol: Br # 18 coordinates: [ 0.362854890000000, 0.117187110000000, 0.227595000000000 ] mass: 79.904000 - symbol: Br # 19 coordinates: [ 0.117187110000000, 0.362854890000000, 0.727595000000000 ] mass: 79.904000 - symbol: Br # 20 coordinates: [ 0.357721210000000, 0.642278790000000, 0.250000000000000 ] mass: 79.904000 - symbol: Br # 21 coordinates: [ 0.120441030000000, 0.336981510000000, 0.406450290000000 ] mass: 79.904000 - symbol: Br # 22 coordinates: [ 0.299158290000000, 0.615516170000000, 0.979596300000000 ] mass: 79.904000 - symbol: Br # 23 coordinates: [ 0.697186260000000, 0.302813740000000, 0.250000000000000 ] mass: 79.904000 - symbol: Br # 24 coordinates: [ 0.384483830000000, 0.700841710000000, 0.520403700000000 ] mass: 79.904000 - symbol: Br # 25 coordinates: [ 0.642278790000000, 0.357721210000000, 0.750000000000000 ] mass: 79.904000 - symbol: Br # 26 coordinates: [ 0.663018490000000, 0.879558970000000, 0.093549710000000 ] mass: 79.904000 - symbol: Br # 27 coordinates: [ 0.302813740000000, 0.697186260000000, 0.750000000000000 ] mass: 79.904000 - symbol: Br # 28 coordinates: [ 0.336981510000000, 0.120441030000000, 0.906450290000000 ] mass: 79.904000 - symbol: Br # 29 coordinates: [ 0.882812890000000, 0.637145110000000, 0.272405000000000 ] mass: 79.904000 - symbol: Br # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 31 coordinates: [ 0.021258140000000, 0.978741860000000, 0.250000000000000 ] mass: 79.904000 - symbol: Br # 32 coordinates: [ 0.700841710000000, 0.384483830000000, 0.020403700000000 ] mass: 79.904000 - symbol: Br # 33 coordinates: [ 0.879558970000000, 0.663018490000000, 0.593549710000000 ] mass: 79.904000 - symbol: Br # 34 coordinates: [ 0.615516170000000, 0.299158290000000, 0.479596300000000 ] mass: 79.904000 - symbol: Br # 35 coordinates: [ 0.637145110000000, 0.882812890000000, 0.772405000000000 ] mass: 79.904000 - symbol: Br # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.070764411557565, -0.092916674079094, 0.021377916009040 ] # a* - [ 0.070764411557565, 0.092916674079094, 0.021377916009040 ] # b* - [ 0.000037990562408, 0.000000000000000, 0.072368635069884 ] # c*unit_cell: lattice: - [ 14.133638550000001, 0.000000000000000, -0.007419580000000 ] # a - [ 0.000000000000000, 10.762330980000000, 0.000000000000000 ] # b - [ -4.175120030000000, 0.000000000000000, 13.820332720000000 ] # c points: - symbol: La # 1 coordinates: [ 0.860788680000000, 0.522565840000000, 0.594351950000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.648560360000000, 0.361061850000000, 0.675190610000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 3 coordinates: [ 0.848524160000000, 0.833123770000000, 0.087853450000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.351439640000000, 0.638938150000000, 0.324809390000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 5 coordinates: [ 0.151475840000000, 0.166876230000000, 0.912146550000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 6 coordinates: [ 0.151475840000000, 0.833123770000000, 0.412146550000000 ] mass: 138.905470 reduced_to: 6 - symbol: La # 7 coordinates: [ 0.848524160000000, 0.166876230000000, 0.587853450000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 8 coordinates: [ 0.648560360000000, 0.638938150000000, 0.175190610000000 ] mass: 138.905470 reduced_to: 8 - symbol: La # 9 coordinates: [ 0.139211320000000, 0.477434160000000, 0.405648050000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 10 coordinates: [ 0.860788680000000, 0.477434160000000, 0.094351950000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 11 coordinates: [ 0.139211320000000, 0.522565840000000, 0.905648050000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 12 coordinates: [ 0.351439640000000, 0.361061850000000, 0.824809390000000 ] mass: 138.905470 reduced_to: 12 - symbol: La # 13 coordinates: [ 0.360788680000000, 0.022565840000000, 0.594351950000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 14 coordinates: [ 0.148560360000000, 0.861061850000000, 0.675190610000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 15 coordinates: [ 0.348524160000000, 0.333123770000000, 0.087853450000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 16 coordinates: [ 0.851439640000000, 0.138938150000000, 0.324809390000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 17 coordinates: [ 0.651475840000000, 0.666876230000000, 0.912146550000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 18 coordinates: [ 0.651475840000000, 0.333123770000000, 0.412146550000000 ] mass: 138.905470 reduced_to: 6 - symbol: La # 19 coordinates: [ 0.348524160000000, 0.666876230000000, 0.587853450000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 20 coordinates: [ 0.148560360000000, 0.138938150000000, 0.175190610000000 ] mass: 138.905470 reduced_to: 8 - symbol: La # 21 coordinates: [ 0.639211320000000, 0.977434160000000, 0.405648050000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 22 coordinates: [ 0.360788680000000, 0.977434160000000, 0.094351950000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 23 coordinates: [ 0.639211320000000, 0.022565840000000, 0.905648050000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 24 coordinates: [ 0.851439640000000, 0.861061850000000, 0.824809390000000 ] mass: 138.905470 reduced_to: 12 - symbol: C # 25 coordinates: [ 0.246183240000000, 0.641508910000000, 0.420760620000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.753816760000000, 0.358491090000000, 0.579239380000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 27 coordinates: [ 0.246183240000000, 0.358491090000000, 0.920760620000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 28 coordinates: [ 0.753816760000000, 0.641508910000000, 0.079239380000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 29 coordinates: [ 0.746183240000000, 0.141508910000000, 0.420760620000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 30 coordinates: [ 0.253816760000000, 0.858491090000000, 0.579239380000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 31 coordinates: [ 0.746183240000000, 0.858491090000000, 0.920760620000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 32 coordinates: [ 0.253816760000000, 0.141508910000000, 0.079239380000000 ] mass: 12.010700 reduced_to: 28 - symbol: Br # 33 coordinates: [ 0.000000000000000, 0.021258140000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 34 coordinates: [ 0.740021000000000, 0.377166110000000, 0.227595000000000 ] mass: 79.904000 reduced_to: 34 - symbol: Br # 35 coordinates: [ 0.740021000000000, 0.622833890000000, 0.727595000000000 ] mass: 79.904000 reduced_to: 35 - symbol: Br # 36 coordinates: [ 0.000000000000000, 0.642278790000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 36 - symbol: Br # 37 coordinates: [ 0.728711270000000, 0.608270240000000, 0.406450290000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 38 coordinates: [ 0.957337230000000, 0.658178940000000, 0.979596300000000 ] mass: 79.904000 reduced_to: 38 - symbol: Br # 39 coordinates: [ 0.000000000000000, 0.302813740000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 39 - symbol: Br # 40 coordinates: [ 0.042662770000000, 0.658178940000000, 0.520403700000000 ] mass: 79.904000 reduced_to: 40 - symbol: Br # 41 coordinates: [ 0.000000000000000, 0.357721210000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 42 coordinates: [ 0.271288730000000, 0.608270240000000, 0.093549710000000 ] mass: 79.904000 reduced_to: 42 - symbol: Br # 43 coordinates: [ 0.000000000000000, 0.697186260000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 44 coordinates: [ 0.728711270000000, 0.391729760000000, 0.906450290000000 ] mass: 79.904000 reduced_to: 44 - symbol: Br # 45 coordinates: [ 0.259979000000000, 0.377166110000000, 0.272405000000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 46 - symbol: Br # 47 coordinates: [ 0.000000000000000, 0.978741860000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 48 coordinates: [ 0.042662770000000, 0.341821060000000, 0.020403700000000 ] mass: 79.904000 reduced_to: 48 - symbol: Br # 49 coordinates: [ 0.271288730000000, 0.391729760000000, 0.593549710000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 50 coordinates: [ 0.957337230000000, 0.341821060000000, 0.479596300000000 ] mass: 79.904000 reduced_to: 50 - symbol: Br # 51 coordinates: [ 0.259979000000000, 0.622833890000000, 0.772405000000000 ] mass: 79.904000 reduced_to: 51 - symbol: Br # 52 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 52 - symbol: Br # 53 coordinates: [ 0.500000000000000, 0.521258140000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 54 coordinates: [ 0.240021000000000, 0.877166110000000, 0.227595000000000 ] mass: 79.904000 reduced_to: 34 - symbol: Br # 55 coordinates: [ 0.240021000000000, 0.122833890000000, 0.727595000000000 ] mass: 79.904000 reduced_to: 35 - symbol: Br # 56 coordinates: [ 0.500000000000000, 0.142278790000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 36 - symbol: Br # 57 coordinates: [ 0.228711270000000, 0.108270240000000, 0.406450290000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 58 coordinates: [ 0.457337230000000, 0.158178940000000, 0.979596300000000 ] mass: 79.904000 reduced_to: 38 - symbol: Br # 59 coordinates: [ 0.500000000000000, 0.802813740000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 39 - symbol: Br # 60 coordinates: [ 0.542662770000000, 0.158178940000000, 0.520403700000000 ] mass: 79.904000 reduced_to: 40 - symbol: Br # 61 coordinates: [ 0.500000000000000, 0.857721210000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 62 coordinates: [ 0.771288730000000, 0.108270240000000, 0.093549710000000 ] mass: 79.904000 reduced_to: 42 - symbol: Br # 63 coordinates: [ 0.500000000000000, 0.197186260000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 64 coordinates: [ 0.228711270000000, 0.891729760000000, 0.906450290000000 ] mass: 79.904000 reduced_to: 44 - symbol: Br # 65 coordinates: [ 0.759979000000000, 0.877166110000000, 0.272405000000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 66 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 46 - symbol: Br # 67 coordinates: [ 0.500000000000000, 0.478741860000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 68 coordinates: [ 0.542662770000000, 0.841821060000000, 0.020403700000000 ] mass: 79.904000 reduced_to: 48 - symbol: Br # 69 coordinates: [ 0.771288730000000, 0.891729760000000, 0.593549710000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 70 coordinates: [ 0.457337230000000, 0.841821060000000, 0.479596300000000 ] mass: 79.904000 reduced_to: 50 - symbol: Br # 71 coordinates: [ 0.759979000000000, 0.122833890000000, 0.772405000000000 ] mass: 79.904000 reduced_to: 51 - symbol: Br # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 52supercell: lattice: - [ 14.133638550000001, 0.000000000000000, -0.007419580000000 ] # a - [ 0.000000000000000, 21.524661960000000, 0.000000000000000 ] # b - [ -4.175120030000000, 0.000000000000000, 13.820332720000000 ] # c points: - symbol: La # 1 coordinates: [ 0.860788680000000, 0.261282920000000, 0.594351950000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.860788680000000, 0.761282920000000, 0.594351950000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.648560360000000, 0.180530925000000, 0.675190610000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.648560360000000, 0.680530925000000, 0.675190610000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 5 coordinates: [ 0.848524160000000, 0.416561885000000, 0.087853450000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 6 coordinates: [ 0.848524160000000, 0.916561885000000, 0.087853450000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 7 coordinates: [ 0.351439640000000, 0.319469075000000, 0.324809390000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 8 coordinates: [ 0.351439640000000, 0.819469075000000, 0.324809390000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 9 coordinates: [ 0.151475840000000, 0.083438115000000, 0.912146550000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 10 coordinates: [ 0.151475840000000, 0.583438115000000, 0.912146550000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 11 coordinates: [ 0.151475840000000, 0.416561885000000, 0.412146550000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 12 coordinates: [ 0.151475840000000, 0.916561885000000, 0.412146550000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 13 coordinates: [ 0.848524160000000, 0.083438115000000, 0.587853450000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 14 coordinates: [ 0.848524160000000, 0.583438115000000, 0.587853450000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 15 coordinates: [ 0.648560360000000, 0.319469075000000, 0.175190610000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 16 coordinates: [ 0.648560360000000, 0.819469075000000, 0.175190610000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 17 coordinates: [ 0.139211320000000, 0.238717080000000, 0.405648050000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 18 coordinates: [ 0.139211320000000, 0.738717080000000, 0.405648050000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 19 coordinates: [ 0.860788680000000, 0.238717080000000, 0.094351950000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 20 coordinates: [ 0.860788680000000, 0.738717080000000, 0.094351950000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 21 coordinates: [ 0.139211320000000, 0.261282920000000, 0.905648050000000 ] mass: 138.905470 reduced_to: 21 - symbol: La # 22 coordinates: [ 0.139211320000000, 0.761282920000000, 0.905648050000000 ] mass: 138.905470 reduced_to: 21 - symbol: La # 23 coordinates: [ 0.351439640000000, 0.180530925000000, 0.824809390000000 ] mass: 138.905470 reduced_to: 23 - symbol: La # 24 coordinates: [ 0.351439640000000, 0.680530925000000, 0.824809390000000 ] mass: 138.905470 reduced_to: 23 - symbol: La # 25 coordinates: [ 0.360788680000000, 0.011282920000000, 0.594351950000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 26 coordinates: [ 0.360788680000000, 0.511282920000000, 0.594351950000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 27 coordinates: [ 0.148560360000000, 0.430530925000000, 0.675190610000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 28 coordinates: [ 0.148560360000000, 0.930530925000000, 0.675190610000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 29 coordinates: [ 0.348524160000000, 0.166561885000000, 0.087853450000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 30 coordinates: [ 0.348524160000000, 0.666561885000000, 0.087853450000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 31 coordinates: [ 0.851439640000000, 0.069469075000000, 0.324809390000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 32 coordinates: [ 0.851439640000000, 0.569469075000000, 0.324809390000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 33 coordinates: [ 0.651475840000000, 0.333438115000000, 0.912146550000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 34 coordinates: [ 0.651475840000000, 0.833438115000000, 0.912146550000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 35 coordinates: [ 0.651475840000000, 0.166561885000000, 0.412146550000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 36 coordinates: [ 0.651475840000000, 0.666561885000000, 0.412146550000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 37 coordinates: [ 0.348524160000000, 0.333438115000000, 0.587853450000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 38 coordinates: [ 0.348524160000000, 0.833438115000000, 0.587853450000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 39 coordinates: [ 0.148560360000000, 0.069469075000000, 0.175190610000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 40 coordinates: [ 0.148560360000000, 0.569469075000000, 0.175190610000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 41 coordinates: [ 0.639211320000000, 0.488717080000000, 0.405648050000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 42 coordinates: [ 0.639211320000000, 0.988717080000000, 0.405648050000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 43 coordinates: [ 0.360788680000000, 0.488717080000000, 0.094351950000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 44 coordinates: [ 0.360788680000000, 0.988717080000000, 0.094351950000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 45 coordinates: [ 0.639211320000000, 0.011282920000000, 0.905648050000000 ] mass: 138.905470 reduced_to: 21 - symbol: La # 46 coordinates: [ 0.639211320000000, 0.511282920000000, 0.905648050000000 ] mass: 138.905470 reduced_to: 21 - symbol: La # 47 coordinates: [ 0.851439640000000, 0.430530925000000, 0.824809390000000 ] mass: 138.905470 reduced_to: 23 - symbol: La # 48 coordinates: [ 0.851439640000000, 0.930530925000000, 0.824809390000000 ] mass: 138.905470 reduced_to: 23 - symbol: C # 49 coordinates: [ 0.246183240000000, 0.320754455000000, 0.420760620000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 50 coordinates: [ 0.246183240000000, 0.820754455000000, 0.420760620000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 51 coordinates: [ 0.753816760000000, 0.179245545000000, 0.579239380000000 ] mass: 12.010700 reduced_to: 51 - symbol: C # 52 coordinates: [ 0.753816760000000, 0.679245545000000, 0.579239380000000 ] mass: 12.010700 reduced_to: 51 - symbol: C # 53 coordinates: [ 0.246183240000000, 0.179245545000000, 0.920760620000000 ] mass: 12.010700 reduced_to: 53 - symbol: C # 54 coordinates: [ 0.246183240000000, 0.679245545000000, 0.920760620000000 ] mass: 12.010700 reduced_to: 53 - symbol: C # 55 coordinates: [ 0.753816760000000, 0.320754455000000, 0.079239380000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 56 coordinates: [ 0.753816760000000, 0.820754455000000, 0.079239380000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 57 coordinates: [ 0.746183240000000, 0.070754455000000, 0.420760620000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 58 coordinates: [ 0.746183240000000, 0.570754455000000, 0.420760620000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 59 coordinates: [ 0.253816760000000, 0.429245545000000, 0.579239380000000 ] mass: 12.010700 reduced_to: 51 - symbol: C # 60 coordinates: [ 0.253816760000000, 0.929245545000000, 0.579239380000000 ] mass: 12.010700 reduced_to: 51 - symbol: C # 61 coordinates: [ 0.746183240000000, 0.429245545000000, 0.920760620000000 ] mass: 12.010700 reduced_to: 53 - symbol: C # 62 coordinates: [ 0.746183240000000, 0.929245545000000, 0.920760620000000 ] mass: 12.010700 reduced_to: 53 - symbol: C # 63 coordinates: [ 0.253816760000000, 0.070754455000000, 0.079239380000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 64 coordinates: [ 0.253816760000000, 0.570754455000000, 0.079239380000000 ] mass: 12.010700 reduced_to: 55 - symbol: Br # 65 coordinates: [ 0.000000000000000, 0.010629070000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.000000000000000, 0.510629070000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 67 coordinates: [ 0.740021000000000, 0.188583055000000, 0.227595000000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 68 coordinates: [ 0.740021000000000, 0.688583055000000, 0.227595000000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 69 coordinates: [ 0.740021000000000, 0.311416945000000, 0.727595000000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 70 coordinates: [ 0.740021000000000, 0.811416945000000, 0.727595000000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 71 coordinates: [ 0.000000000000000, 0.321139395000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 72 coordinates: [ 0.000000000000000, 0.821139395000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 73 coordinates: [ 0.728711270000000, 0.304135120000000, 0.406450290000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 74 coordinates: [ 0.728711270000000, 0.804135120000000, 0.406450290000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 75 coordinates: [ 0.957337230000000, 0.329089470000000, 0.979596300000000 ] mass: 79.904000 reduced_to: 75 - symbol: Br # 76 coordinates: [ 0.957337230000000, 0.829089470000000, 0.979596300000000 ] mass: 79.904000 reduced_to: 75 - symbol: Br # 77 coordinates: [ 0.000000000000000, 0.151406870000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 77 - symbol: Br # 78 coordinates: [ 0.000000000000000, 0.651406870000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 77 - symbol: Br # 79 coordinates: [ 0.042662770000000, 0.329089470000000, 0.520403700000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 80 coordinates: [ 0.042662770000000, 0.829089470000000, 0.520403700000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 81 coordinates: [ 0.000000000000000, 0.178860605000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 82 coordinates: [ 0.000000000000000, 0.678860605000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 83 coordinates: [ 0.271288730000000, 0.304135120000000, 0.093549710000000 ] mass: 79.904000 reduced_to: 83 - symbol: Br # 84 coordinates: [ 0.271288730000000, 0.804135120000000, 0.093549710000000 ] mass: 79.904000 reduced_to: 83 - symbol: Br # 85 coordinates: [ 0.000000000000000, 0.348593130000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 86 coordinates: [ 0.000000000000000, 0.848593130000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 87 coordinates: [ 0.728711270000000, 0.195864880000000, 0.906450290000000 ] mass: 79.904000 reduced_to: 87 - symbol: Br # 88 coordinates: [ 0.728711270000000, 0.695864880000000, 0.906450290000000 ] mass: 79.904000 reduced_to: 87 - symbol: Br # 89 coordinates: [ 0.259979000000000, 0.188583055000000, 0.272405000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 90 coordinates: [ 0.259979000000000, 0.688583055000000, 0.272405000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 91 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 92 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 93 coordinates: [ 0.000000000000000, 0.489370930000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 93 - symbol: Br # 94 coordinates: [ 0.000000000000000, 0.989370930000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 93 - symbol: Br # 95 coordinates: [ 0.042662770000000, 0.170910530000000, 0.020403700000000 ] mass: 79.904000 reduced_to: 95 - symbol: Br # 96 coordinates: [ 0.042662770000000, 0.670910530000000, 0.020403700000000 ] mass: 79.904000 reduced_to: 95 - symbol: Br # 97 coordinates: [ 0.271288730000000, 0.195864880000000, 0.593549710000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 98 coordinates: [ 0.271288730000000, 0.695864880000000, 0.593549710000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 99 coordinates: [ 0.957337230000000, 0.170910530000000, 0.479596300000000 ] mass: 79.904000 reduced_to: 99 - symbol: Br # 100 coordinates: [ 0.957337230000000, 0.670910530000000, 0.479596300000000 ] mass: 79.904000 reduced_to: 99 - symbol: Br # 101 coordinates: [ 0.259979000000000, 0.311416945000000, 0.772405000000000 ] mass: 79.904000 reduced_to: 101 - symbol: Br # 102 coordinates: [ 0.259979000000000, 0.811416945000000, 0.772405000000000 ] mass: 79.904000 reduced_to: 101 - symbol: Br # 103 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 104 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 105 coordinates: [ 0.500000000000000, 0.260629070000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 106 coordinates: [ 0.500000000000000, 0.760629070000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 107 coordinates: [ 0.240021000000000, 0.438583055000000, 0.227595000000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 108 coordinates: [ 0.240021000000000, 0.938583055000000, 0.227595000000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 109 coordinates: [ 0.240021000000000, 0.061416945000000, 0.727595000000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 110 coordinates: [ 0.240021000000000, 0.561416945000000, 0.727595000000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 111 coordinates: [ 0.500000000000000, 0.071139395000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 112 coordinates: [ 0.500000000000000, 0.571139395000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 71 - symbol: Br # 113 coordinates: [ 0.228711270000000, 0.054135120000000, 0.406450290000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 114 coordinates: [ 0.228711270000000, 0.554135120000000, 0.406450290000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 115 coordinates: [ 0.457337230000000, 0.079089470000000, 0.979596300000000 ] mass: 79.904000 reduced_to: 75 - symbol: Br # 116 coordinates: [ 0.457337230000000, 0.579089470000000, 0.979596300000000 ] mass: 79.904000 reduced_to: 75 - symbol: Br # 117 coordinates: [ 0.500000000000000, 0.401406870000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 77 - symbol: Br # 118 coordinates: [ 0.500000000000000, 0.901406870000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 77 - symbol: Br # 119 coordinates: [ 0.542662770000000, 0.079089470000000, 0.520403700000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 120 coordinates: [ 0.542662770000000, 0.579089470000000, 0.520403700000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 121 coordinates: [ 0.500000000000000, 0.428860605000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 122 coordinates: [ 0.500000000000000, 0.928860605000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 123 coordinates: [ 0.771288730000000, 0.054135120000000, 0.093549710000000 ] mass: 79.904000 reduced_to: 83 - symbol: Br # 124 coordinates: [ 0.771288730000000, 0.554135120000000, 0.093549710000000 ] mass: 79.904000 reduced_to: 83 - symbol: Br # 125 coordinates: [ 0.500000000000000, 0.098593130000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 126 coordinates: [ 0.500000000000000, 0.598593130000000, 0.750000000000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 127 coordinates: [ 0.228711270000000, 0.445864880000000, 0.906450290000000 ] mass: 79.904000 reduced_to: 87 - symbol: Br # 128 coordinates: [ 0.228711270000000, 0.945864880000000, 0.906450290000000 ] mass: 79.904000 reduced_to: 87 - symbol: Br # 129 coordinates: [ 0.759979000000000, 0.438583055000000, 0.272405000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 130 coordinates: [ 0.759979000000000, 0.938583055000000, 0.272405000000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 131 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 132 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 133 coordinates: [ 0.500000000000000, 0.239370930000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 93 - symbol: Br # 134 coordinates: [ 0.500000000000000, 0.739370930000000, 0.250000000000000 ] mass: 79.904000 reduced_to: 93 - symbol: Br # 135 coordinates: [ 0.542662770000000, 0.420910530000000, 0.020403700000000 ] mass: 79.904000 reduced_to: 95 - symbol: Br # 136 coordinates: [ 0.542662770000000, 0.920910530000000, 0.020403700000000 ] mass: 79.904000 reduced_to: 95 - symbol: Br # 137 coordinates: [ 0.771288730000000, 0.445864880000000, 0.593549710000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 138 coordinates: [ 0.771288730000000, 0.945864880000000, 0.593549710000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 139 coordinates: [ 0.457337230000000, 0.420910530000000, 0.479596300000000 ] mass: 79.904000 reduced_to: 99 - symbol: Br # 140 coordinates: [ 0.457337230000000, 0.920910530000000, 0.479596300000000 ] mass: 79.904000 reduced_to: 99 - symbol: Br # 141 coordinates: [ 0.759979000000000, 0.061416945000000, 0.772405000000000 ] mass: 79.904000 reduced_to: 101 - symbol: Br # 142 coordinates: [ 0.759979000000000, 0.561416945000000, 0.772405000000000 ] mass: 79.904000 reduced_to: 101 - symbol: Br # 143 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 144 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 103displacements:- atom: 1 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ -0.0755177400000000, -0.0337029300000000, -0.0113664700000000 ] - [ -0.0003117100000000, 0.0004095400000000, 0.0000838500000000 ] - [ 0.0152042000000000, 0.0083392000000000, -0.0059569000000000 ] - [ 0.0001157200000000, 0.0000505000000000, 0.0001296200000000 ] - [ -0.0011676300000000, -0.0001589100000000, -0.0007624000000000 ] - [ -0.0004884800000000, -0.0001081700000000, -0.0001749500000000 ] - [ 0.0021910900000000, -0.0007522800000000, 0.0003701000000000 ] - [ 0.0001767800000000, 0.0002276600000000, 0.0000985900000000 ] - [ 0.0010896300000000, -0.0015359200000000, 0.0017141600000000 ] - [ 0.0001853800000000, 0.0007919000000000, 0.0004746600000000 ] - [ 0.0025944600000000, 0.0023706100000000, -0.0022889100000000 ] - [ 0.0002749800000000, -0.0002849700000000, 0.0000642000000000 ] - [ -0.0081150100000000, 0.0031915100000000, -0.0000621100000000 ] - [ -0.0010709900000000, 0.0001999600000000, -0.0002504200000000 ] - [ 0.0000361900000000, -0.0002883500000000, 0.0022352800000000 ] - [ 0.0000981900000000, 0.0002585600000000, 0.0001021900000000 ] - [ 0.0043327400000000, -0.0012528300000000, -0.0030073300000000 ] - [ 0.0000864800000000, 0.0001335400000000, -0.0002073700000000 ] - [ -0.0020268600000000, -0.0002352700000000, -0.0011963500000000 ] - [ -0.0002702600000000, 0.0000296400000000, 0.0000516700000000 ] - [ 0.0025861200000000, -0.0008200500000000, 0.0037765800000000 ] - [ -0.0000359200000000, 0.0003209600000000, -0.0001289700000000 ] - [ 0.0023052600000000, -0.0004805800000000, -0.0000346900000000 ] - [ 0.0002311600000000, 0.0002881100000000, 0.0001126300000000 ] - [ 0.0011052400000000, 0.0003320100000000, 0.0002311200000000 ] - [ 0.0011075500000000, 0.0006654000000000, 0.0005282100000000 ] - [ 0.0028121800000000, 0.0038427100000000, 0.0013710900000000 ] - [ 0.0000422100000000, -0.0002701700000000, -0.0000607000000000 ] - [ 0.0008002500000000, -0.0001480600000000, 0.0010393600000000 ] - [ -0.0000509200000000, -0.0000385600000000, 0.0000558700000000 ] - [ -0.0033946700000000, -0.0027109700000000, -0.0013414600000000 ] - [ -0.0007472400000000, 0.0001306400000000, -0.0006041800000000 ] - [ 0.0021719800000000, -0.0008716500000000, -0.0029540800000000 ] - [ 0.0003616100000000, 0.0004648600000000, -0.0000028900000000 ] - [ 0.0040717900000000, 0.0072829500000000, 0.0100491800000000 ] - [ 0.0002978500000000, -0.0001147200000000, -0.0000009300000000 ] - [ 0.0032115100000000, -0.0009653500000000, 0.0008908500000000 ] - [ -0.0000276000000000, 0.0004455300000000, -0.0000395700000000 ] - [ 0.0001938900000000, -0.0006001400000000, 0.0000994000000000 ] - [ -0.0000350300000000, 0.0002667600000000, -0.0002204400000000 ] - [ 0.0004533300000000, -0.0012824000000000, 0.0001859700000000 ] - [ 0.0007649600000000, 0.0011895100000000, 0.0004484500000000 ] - [ 0.0005914100000000, -0.0000530400000000, 0.0006140500000000 ] - [ 0.0005035800000000, -0.0003498000000000, 0.0005404900000000 ] - [ 0.0006498700000000, 0.0007044600000000, -0.0006527400000000 ] - [ 0.0006487700000000, -0.0004820000000000, 0.0000595900000000 ] - [ -0.0057245500000000, -0.0025784900000000, -0.0006226400000000 ] - [ -0.0006584900000000, 0.0006393300000000, -0.0004411700000000 ] - [ -0.0036257800000000, -0.0002532800000000, 0.0004601700000000 ] - [ -0.0001308300000000, -0.0001033200000000, -0.0001387200000000 ] - [ 0.0349226200000000, 0.0237707700000000, 0.0022859900000000 ] - [ 0.0000438700000000, -0.0001887800000000, 0.0000769000000000 ] - [ -0.0020221400000000, 0.0013730000000000, -0.0009278000000000 ] - [ -0.0000334400000000, -0.0003795700000000, -0.0001901000000000 ] - [ 0.0012826200000000, 0.0001346500000000, 0.0006392600000000 ] - [ 0.0000196500000000, -0.0001594200000000, 0.0001403700000000 ] - [ 0.0030631200000000, -0.0025608300000000, -0.0026706100000000 ] - [ 0.0005025900000000, 0.0004662300000000, -0.0000709800000000 ] - [ -0.0031935400000000, -0.0011026500000000, -0.0000411500000000 ] - [ -0.0003932800000000, -0.0001899400000000, 0.0001521000000000 ] - [ 0.0005569300000000, 0.0017745800000000, 0.0009674800000000 ] - [ 0.0000642500000000, -0.0006335600000000, 0.0002507900000000 ] - [ -0.0006819800000000, 0.0005024900000000, -0.0005894500000000 ] - [ -0.0001739100000000, -0.0001544300000000, -0.0000641000000000 ] - [ 0.0006842000000000, 0.0003033800000000, 0.0006555000000000 ] - [ 0.0005645400000000, -0.0007133000000000, -0.0000917000000000 ] - [ 0.0008328100000000, -0.0003278500000000, -0.0001804300000000 ] - [ -0.0000043500000000, -0.0000282300000000, 0.0001281600000000 ] - [ 0.0086513600000000, 0.0012704500000000, -0.0024692800000000 ] - [ -0.0000380600000000, -0.0001880000000000, 0.0000573600000000 ] - [ 0.0004695500000000, 0.0000604600000000, 0.0013818900000000 ] - [ 0.0000410500000000, -0.0000458900000000, 0.0000584800000000 ] - [ 0.0051969600000000, -0.0012325600000000, 0.0075240900000000 ] - [ 0.0000129300000000, 0.0000581000000000, -0.0000482200000000 ] - [ 0.0009717700000000, -0.0000412500000000, -0.0002130300000000 ] - [ 0.0001077700000000, -0.0001876300000000, -0.0000290100000000 ] - [ 0.0001856300000000, 0.0002506500000000, 0.0008070000000000 ] - [ 0.0000814200000000, -0.0001575500000000, 0.0000325900000000 ] - [ -0.0008388500000000, -0.0007003000000000, 0.0003842500000000 ] - [ -0.0000204200000000, -0.0000544000000000, 0.0000751400000000 ] - [ 0.0035752900000000, -0.0020085200000000, 0.0030347300000000 ] - [ 0.0000524500000000, -0.0001591000000000, 0.0000458200000000 ] - [ -0.0003557200000000, 0.0001335200000000, -0.0005835300000000 ] - [ -0.0000079200000000, 0.0001358700000000, 0.0000232700000000 ] - [ 0.0018643800000000, 0.0012485200000000, 0.0008931400000000 ] - [ 0.0001116900000000, 0.0000371900000000, 0.0000219200000000 ] - [ 0.0001319900000000, -0.0002916900000000, 0.0016394100000000 ] - [ -0.0000104200000000, -0.0001978500000000, -0.0000770400000000 ] - [ -0.0004863200000000, 0.0002128200000000, 0.0001926800000000 ] - [ -0.0000079600000000, -0.0000966100000000, -0.0001072900000000 ] - [ 0.0002572000000000, 0.0002492000000000, 0.0001394000000000 ] - [ 0.0003062600000000, 0.0001448100000000, 0.0001679700000000 ] - [ 0.0002740400000000, -0.0001675700000000, 0.0003475900000000 ] - [ 0.0001919700000000, 0.0000777300000000, 0.0000012900000000 ] - [ 0.0002114700000000, 0.0002695900000000, -0.0006610200000000 ] - [ 0.0000776600000000, -0.0000039000000000, 0.0000575700000000 ] - [ -0.0008662500000000, 0.0001667600000000, -0.0003606900000000 ] - [ -0.0000073200000000, -0.0003288600000000, 0.0001157000000000 ] - [ 0.0067824200000000, -0.0013518300000000, -0.0020828300000000 ] - [ 0.0001170800000000, -0.0000553900000000, -0.0000652000000000 ] - [ -0.0009177200000000, 0.0003674600000000, -0.0004569700000000 ] - [ 0.0000117800000000, -0.0000747200000000, -0.0000514400000000 ] - [ 0.0003926000000000, 0.0003791900000000, -0.0002272800000000 ] - [ 0.0006850500000000, -0.0011108900000000, 0.0004823500000000 ] - [ -0.0020451500000000, 0.0004846700000000, 0.0002332300000000 ] - [ -0.0000749800000000, -0.0000652300000000, -0.0000178800000000 ] - [ -0.0003001400000000, -0.0000483400000000, 0.0003176900000000 ] - [ -0.0000847400000000, 0.0001454000000000, 0.0000380700000000 ] - [ -0.0003064900000000, 0.0002670400000000, 0.0002102400000000 ] - [ -0.0002430700000000, -0.0006353700000000, -0.0001573400000000 ] - [ -0.0004031000000000, -0.0002588300000000, -0.0006747500000000 ] - [ -0.0001127800000000, 0.0000247400000000, -0.0001363200000000 ] - [ -0.0001726600000000, 0.0003986600000000, -0.0002146200000000 ] - [ -0.0000958500000000, -0.0001980000000000, 0.0000862100000000 ] - [ -0.0003041200000000, 0.0000615100000000, -0.0001023400000000 ] - [ -0.0001403100000000, -0.0000826800000000, -0.0000831900000000 ] - [ -0.0004606900000000, 0.0000553100000000, -0.0000976100000000 ] - [ -0.0001665900000000, -0.0002084200000000, -0.0001796300000000 ] - [ -0.0006445900000000, -0.0011855700000000, -0.0003008100000000 ] - [ -0.0002086700000000, -0.0001290700000000, 0.0001400900000000 ] - [ -0.0004799100000000, 0.0003178700000000, -0.0004094600000000 ] - [ -0.0000949300000000, -0.0001207100000000, -0.0000603500000000 ] - [ 0.0000922900000000, 0.0000462900000000, 0.0002425800000000 ] - [ 0.0000845100000000, 0.0003075800000000, 0.0001929900000000 ] - [ -0.0009143300000000, -0.0003646400000000, 0.0001643700000000 ] - [ -0.0002323900000000, 0.0000465400000000, -0.0002454900000000 ] - [ -0.0002964500000000, -0.0006713300000000, -0.0007811900000000 ] - [ -0.0000337500000000, -0.0000391600000000, -0.0001000500000000 ] - [ 0.0003593300000000, 0.0007462500000000, -0.0001836600000000 ] - [ 0.0002328200000000, 0.0000650000000000, -0.0002245300000000 ] - [ -0.0004664500000000, -0.0003405700000000, -0.0002401200000000 ] - [ -0.0001131300000000, -0.0001065200000000, -0.0000591500000000 ] - [ -0.0009995500000000, 0.0005010000000000, -0.0008962500000000 ] - [ -0.0000570300000000, -0.0000675700000000, -0.0000249300000000 ] - [ -0.0003152800000000, 0.0004333100000000, 0.0001097800000000 ] - [ -0.0001234600000000, 0.0000395900000000, 0.0001348700000000 ] - [ 0.0005419300000000, 0.0006812700000000, -0.0000303800000000 ] - [ -0.0000985800000000, -0.0007471200000000, 0.0002577800000000 ] - [ -0.0006100700000000, 0.0002402600000000, 0.0000056900000000 ] - [ -0.0002764200000000, -0.0001839300000000, -0.0000751900000000 ] - [ 0.0000714700000000, -0.0011867700000000, 0.0007126400000000 ] - [ 0.0000659400000000, 0.0001531700000000, -0.0001654800000000 ] - [ -0.0017040800000000, 0.0010408900000000, -0.0011689600000000 ] - [ -0.0000045300000000, -0.0000444900000000, -0.0000085200000000 ]- atom: 1 displacement: [ -0.0099999986220908, 0.0000000000000000, 0.0000052495887392 ] forces: - [ 0.0763420400000000, 0.0351776400000000, 0.0118058700000000 ] - [ 0.0001626700000000, -0.0001285300000000, 0.0001924700000000 ] - [ -0.0153579300000000, -0.0086055800000000, 0.0060967800000000 ] - [ -0.0001113800000000, -0.0001231500000000, -0.0000366800000000 ] - [ 0.0007653800000000, -0.0002060500000000, 0.0007431600000000 ] - [ 0.0000900200000000, -0.0002541700000000, 0.0001543700000000 ] - [ -0.0021838900000000, 0.0008274700000000, -0.0004722800000000 ] - [ -0.0001831400000000, -0.0001522000000000, -0.0001927200000000 ] - [ -0.0006914000000000, 0.0018975100000000, -0.0016994400000000 ] - [ 0.0002115900000000, -0.0004245900000000, -0.0004523800000000 ] - [ -0.0021805000000000, -0.0027223600000000, 0.0022934200000000 ] - [ 0.0001214100000000, -0.0000783300000000, -0.0000460700000000 ] - [ 0.0077121800000000, -0.0027943900000000, 0.0000554000000000 ] - [ 0.0006676000000000, 0.0001624600000000, 0.0002344700000000 ] - [ -0.0000441700000000, 0.0003586400000000, -0.0021120300000000 ] - [ -0.0000958800000000, -0.0001841600000000, -0.0000075200000000 ] - [ -0.0041642600000000, 0.0009559800000000, 0.0027062400000000 ] - [ 0.0000606600000000, -0.0004098200000000, -0.0000722400000000 ] - [ 0.0018708100000000, -0.0000505800000000, 0.0014733600000000 ] - [ 0.0001190700000000, -0.0003064000000000, 0.0002255400000000 ] - [ -0.0024405700000000, 0.0010977200000000, -0.0040487000000000 ] - [ 0.0001870300000000, -0.0000404300000000, -0.0001522100000000 ] - [ -0.0023062700000000, 0.0003989000000000, -0.0000550800000000 ] - [ -0.0002368500000000, -0.0003561000000000, -0.0002059100000000 ] - [ -0.0012551600000000, -0.0000551300000000, 0.0000484000000000 ] - [ -0.0012522600000000, -0.0003799500000000, -0.0002470000000000 ] - [ -0.0028217200000000, -0.0038887600000000, -0.0012566500000000 ] - [ -0.0000447700000000, 0.0001991900000000, 0.0001498200000000 ] - [ -0.0011978300000000, -0.0002173100000000, -0.0010581200000000 ] - [ -0.0003500600000000, -0.0003253200000000, -0.0000732600000000 ] - [ 0.0033935300000000, 0.0027704500000000, 0.0012377000000000 ] - [ 0.0007451100000000, -0.0000578400000000, 0.0005084400000000 ] - [ -0.0017713400000000, 0.0012339300000000, 0.0029633300000000 ] - [ 0.0000424300000000, -0.0000950000000000, 0.0000216500000000 ] - [ -0.0036738200000000, -0.0077116300000000, -0.0100863500000000 ] - [ 0.0001021300000000, -0.0002472800000000, 0.0000195400000000 ] - [ -0.0036043900000000, 0.0013337400000000, -0.0009091800000000 ] - [ -0.0003761900000000, -0.0000806600000000, 0.0000173100000000 ] - [ -0.0001918400000000, 0.0006668600000000, -0.0000122300000000 ] - [ 0.0000353100000000, -0.0001921500000000, 0.0003065600000000 ] - [ -0.0003008900000000, 0.0009910500000000, -0.0004645900000000 ] - [ -0.0006114600000000, -0.0014649200000000, -0.0007292600000000 ] - [ -0.0007403900000000, -0.0002232300000000, -0.0003350400000000 ] - [ -0.0006568500000000, 0.0000712600000000, -0.0002641900000000 ] - [ -0.0004969300000000, -0.0004247600000000, 0.0003704600000000 ] - [ -0.0004954900000000, 0.0007661400000000, -0.0003387900000000 ] - [ 0.0057259200000000, 0.0025130900000000, 0.0005286800000000 ] - [ 0.0006577300000000, -0.0007061400000000, 0.0003474400000000 ] - [ 0.0036790400000000, 0.0003766700000000, -0.0006457300000000 ] - [ 0.0001952600000000, 0.0002266900000000, -0.0000500000000000 ] - [ -0.0356873300000000, -0.0249913300000000, -0.0022070200000000 ] - [ -0.0001100800000000, 0.0000647400000000, 0.0001097300000000 ] - [ 0.0020874600000000, -0.0014956200000000, 0.0007390700000000 ] - [ 0.0000984300000000, 0.0002533700000000, 0.0000018100000000 ] - [ -0.0013325200000000, -0.0000084100000000, -0.0004563500000000 ] - [ -0.0000846400000000, 0.0002817100000000, 0.0000455300000000 ] - [ -0.0029911600000000, 0.0026870900000000, 0.0024818800000000 ] - [ -0.0004341100000000, -0.0003368800000000, -0.0001175800000000 ] - [ 0.0031169600000000, 0.0009709500000000, 0.0002225800000000 ] - [ 0.0003274200000000, 0.0000652500000000, 0.0000334400000000 ] - [ -0.0004891500000000, -0.0018952200000000, -0.0011566000000000 ] - [ -0.0000011200000000, 0.0005062000000000, -0.0004364200000000 ] - [ 0.0006155100000000, -0.0003747000000000, 0.0007772400000000 ] - [ 0.0001055100000000, 0.0002788100000000, 0.0002507100000000 ] - [ -0.0006855900000000, -0.0002885300000000, -0.0006546400000000 ] - [ -0.0005641100000000, 0.0007294500000000, 0.0000907500000000 ] - [ -0.0008832000000000, 0.0003834400000000, 0.0003588800000000 ] - [ -0.0000493400000000, 0.0000882000000000, 0.0000508300000000 ] - [ -0.0090437000000000, -0.0011835400000000, 0.0029625300000000 ] - [ -0.0000158100000000, 0.0001287500000000, 0.0001201000000000 ] - [ -0.0004674100000000, -0.0000767500000000, -0.0013708600000000 ] - [ -0.0000409800000000, 0.0000307300000000, -0.0000571200000000 ] - [ -0.0052261800000000, 0.0016142200000000, -0.0078349000000000 ] - [ -0.0000369700000000, 0.0002923900000000, -0.0001017300000000 ] - [ -0.0009608600000000, -0.0001459700000000, 0.0000588300000000 ] - [ -0.0000985600000000, 0.0000014900000000, -0.0001229900000000 ] - [ -0.0001847800000000, -0.0003936100000000, -0.0008057300000000 ] - [ -0.0000802900000000, 0.0000121100000000, -0.0000343500000000 ] - [ 0.0009570500000000, 0.0005844100000000, -0.0003007300000000 ] - [ 0.0000103000000000, -0.0001333300000000, 0.0000747100000000 ] - [ -0.0035652000000000, 0.0019672800000000, -0.0029667500000000 ] - [ -0.0000518400000000, 0.0001789200000000, -0.0000472600000000 ] - [ 0.0003786400000000, 0.0002149100000000, 0.0007333600000000 ] - [ 0.0000300800000000, 0.0002137900000000, 0.0001251000000000 ] - [ -0.0018380500000000, -0.0010741300000000, -0.0008610300000000 ] - [ -0.0001117700000000, 0.0001087800000000, -0.0000221100000000 ] - [ -0.0001554100000000, -0.0000573900000000, -0.0017930600000000 ] - [ -0.0000154300000000, -0.0001510100000000, -0.0000739000000000 ] - [ 0.0005361100000000, -0.0001497300000000, -0.0003689200000000 ] - [ 0.0000607700000000, 0.0001567900000000, -0.0000731200000000 ] - [ -0.0002568200000000, -0.0002494700000000, -0.0001391400000000 ] - [ -0.0003083300000000, -0.0001434200000000, -0.0001674000000000 ] - [ -0.0002726900000000, 0.0001489100000000, -0.0003479700000000 ] - [ -0.0001919200000000, -0.0000948100000000, -0.0000038900000000 ] - [ -0.0002226200000000, -0.0000831000000000, 0.0008111200000000 ] - [ -0.0000853800000000, 0.0001909900000000, 0.0000913500000000 ] - [ 0.0008838700000000, -0.0005142300000000, 0.0005048600000000 ] - [ 0.0000317500000000, -0.0000200400000000, 0.0000332400000000 ] - [ -0.0066572100000000, 0.0013922300000000, 0.0018174700000000 ] - [ -0.0001081300000000, 0.0002426600000000, -0.0000857600000000 ] - [ 0.0009703100000000, -0.0004274100000000, 0.0002706900000000 ] - [ 0.0000398900000000, 0.0000148900000000, -0.0001274900000000 ] - [ -0.0003918700000000, -0.0003802600000000, 0.0002260400000000 ] - [ -0.0006793500000000, 0.0011020100000000, -0.0004823600000000 ] - [ 0.0020516500000000, -0.0004724900000000, -0.0002381800000000 ] - [ 0.0000741300000000, 0.0000826500000000, 0.0000161800000000 ] - [ 0.0002400700000000, 0.0001084900000000, -0.0001385300000000 ] - [ 0.0000254700000000, -0.0000843200000000, 0.0001380100000000 ] - [ 0.0002470900000000, -0.0003276800000000, -0.0000334400000000 ] - [ 0.0001849800000000, 0.0005717400000000, 0.0003308900000000 ] - [ 0.0004014300000000, 0.0002413300000000, 0.0006733000000000 ] - [ 0.0001107600000000, -0.0000421900000000, 0.0001353100000000 ] - [ 0.0001413800000000, -0.0000492700000000, 0.0000605400000000 ] - [ 0.0000649800000000, 0.0005447400000000, -0.0002373300000000 ] - [ 0.0003099200000000, -0.0002511300000000, -0.0000488700000000 ] - [ 0.0001479600000000, -0.0001050600000000, -0.0000680600000000 ] - [ 0.0004548000000000, -0.0001976300000000, 0.0000949300000000 ] - [ 0.0001655600000000, 0.0000653500000000, 0.0001780600000000 ] - [ 0.0006337300000000, 0.0009958600000000, 0.0004501500000000 ] - [ 0.0001968600000000, -0.0000590100000000, 0.0000097500000000 ] - [ 0.0004777200000000, -0.0002982500000000, 0.0004041200000000 ] - [ 0.0000947600000000, 0.0001372600000000, 0.0000586400000000 ] - [ -0.0000617800000000, 0.0003021200000000, -0.0000915700000000 ] - [ -0.0000534500000000, 0.0000414100000000, -0.0000437300000000 ] - [ 0.0009050400000000, 0.0005041000000000, -0.0001611300000000 ] - [ 0.0002314800000000, 0.0000973000000000, 0.0002442100000000 ] - [ 0.0002654900000000, 0.0003242400000000, 0.0006285100000000 ] - [ 0.0000030400000000, -0.0003121100000000, -0.0000525100000000 ] - [ -0.0002979900000000, -0.0006798400000000, 0.0000035700000000 ] - [ -0.0001739100000000, -0.0000032000000000, 0.0000458400000000 ] - [ 0.0004636400000000, 0.0003372100000000, 0.0002372200000000 ] - [ 0.0001120600000000, 0.0001070800000000, 0.0000577000000000 ] - [ 0.0009926500000000, -0.0005184700000000, 0.0008977700000000 ] - [ 0.0000550400000000, 0.0000507900000000, 0.0000250100000000 ] - [ 0.0003048300000000, -0.0002401300000000, 0.0000387000000000 ] - [ 0.0001147600000000, 0.0001501700000000, 0.0000134700000000 ] - [ -0.0005189700000000, -0.0010145400000000, 0.0001802700000000 ] - [ 0.0001304600000000, 0.0003975500000000, -0.0001062500000000 ] - [ 0.0006144200000000, -0.0000539600000000, -0.0001564200000000 ] - [ 0.0002827800000000, 0.0003720200000000, -0.0000758400000000 ] - [ -0.0000137400000000, 0.0011250400000000, -0.0008911800000000 ] - [ -0.0000098700000000, -0.0002122300000000, -0.0000106200000000 ] - [ 0.0017071100000000, -0.0010354700000000, 0.0011725800000000 ] - [ 0.0000041900000000, 0.0000454700000000, 0.0000074800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0339046400000000, -0.0942737900000000, -0.0080900500000000 ] - [ 0.0002120100000000, 0.0016876600000000, 0.0002372900000000 ] - [ 0.0107318200000000, -0.0018160100000000, -0.0063571700000000 ] - [ -0.0002985200000000, 0.0012587600000000, 0.0002260000000000 ] - [ -0.0002229000000000, -0.0004663400000000, 0.0002810000000000 ] - [ -0.0002312500000000, 0.0006407700000000, 0.0000977300000000 ] - [ 0.0003987000000000, -0.0013895400000000, 0.0001723600000000 ] - [ -0.0000017300000000, 0.0010004500000000, 0.0000966300000000 ] - [ -0.0010793600000000, 0.0007873600000000, -0.0020445900000000 ] - [ 0.0005779800000000, 0.0013605600000000, 0.0006003700000000 ] - [ 0.0020962300000000, 0.0008707200000000, -0.0017010700000000 ] - [ -0.0003069400000000, 0.0009512300000000, 0.0001467000000000 ] - [ 0.0001122300000000, 0.0207183600000000, 0.0010885500000000 ] - [ -0.0000391700000000, 0.0033368300000000, -0.0003577900000000 ] - [ 0.0000235900000000, -0.0010546400000000, -0.0023360800000000 ] - [ 0.0001224100000000, 0.0012166000000000, 0.0001247000000000 ] - [ -0.0010489600000000, -0.0058362100000000, -0.0014612600000000 ] - [ 0.0003309400000000, 0.0009953700000000, -0.0000813700000000 ] - [ 0.0000296600000000, -0.0026195900000000, 0.0004037800000000 ] - [ -0.0002267200000000, 0.0009630000000000, 0.0000852500000000 ] - [ 0.0010176500000000, -0.0065983800000000, -0.0004069600000000 ] - [ -0.0001237700000000, 0.0012317700000000, -0.0001715700000000 ] - [ -0.0000993000000000, -0.0015563400000000, -0.0000096200000000 ] - [ 0.0000968200000000, 0.0009474300000000, -0.0000330800000000 ] - [ 0.0004645200000000, 0.0007485200000000, 0.0003033800000000 ] - [ 0.0001363900000000, 0.0007459100000000, 0.0002320000000000 ] - [ 0.0040753100000000, 0.0024429800000000, -0.0000041800000000 ] - [ -0.0006591700000000, 0.0011083400000000, -0.0002474500000000 ] - [ -0.0002798500000000, -0.0012043200000000, 0.0001266200000000 ] - [ -0.0001275700000000, 0.0007196400000000, -0.0000143900000000 ] - [ -0.0008450900000000, 0.0014931300000000, 0.0033771700000000 ] - [ 0.0003253300000000, 0.0010153400000000, -0.0007113700000000 ] - [ -0.0011988800000000, -0.0011761900000000, 0.0013274500000000 ] - [ 0.0003878900000000, 0.0013088500000000, 0.0000237200000000 ] - [ 0.0059876000000000, 0.0002576500000000, 0.0100374500000000 ] - [ -0.0001099700000000, 0.0012521900000000, -0.0001928000000000 ] - [ 0.0014435200000000, -0.0020428900000000, 0.0000861900000000 ] - [ -0.0002896400000000, 0.0013317900000000, -0.0000979400000000 ] - [ -0.0004827600000000, -0.0001008500000000, 0.0000597700000000 ] - [ 0.0001713100000000, 0.0006428700000000, 0.0001106400000000 ] - [ -0.0010840200000000, 0.0015030800000000, -0.0026854800000000 ] - [ 0.0013838600000000, 0.0018906700000000, 0.0004204800000000 ] - [ -0.0001414400000000, 0.0001345400000000, 0.0003712900000000 ] - [ 0.0001509800000000, 0.0001901600000000, 0.0005225800000000 ] - [ 0.0006841400000000, 0.0007347600000000, -0.0008827300000000 ] - [ -0.0005064100000000, 0.0007329300000000, -0.0000203300000000 ] - [ -0.0030909600000000, 0.0020082800000000, 0.0039055600000000 ] - [ 0.0000464800000000, 0.0015862100000000, -0.0008132300000000 ] - [ -0.0014146600000000, 0.0022924400000000, 0.0007625400000000 ] - [ -0.0000215500000000, -0.0010661000000000, -0.0002449900000000 ] - [ 0.0260189300000000, 0.0473138300000000, 0.0056573900000000 ] - [ 0.0001591200000000, -0.0017987100000000, -0.0000249000000000 ] - [ 0.0007092300000000, 0.0021133500000000, 0.0006110700000000 ] - [ 0.0000226600000000, -0.0011162900000000, -0.0000585000000000 ] - [ -0.0005704000000000, 0.0016993200000000, -0.0000212800000000 ] - [ 0.0000723700000000, -0.0010755400000000, 0.0001520700000000 ] - [ -0.0007218300000000, -0.0029711800000000, -0.0035381000000000 ] - [ -0.0002498700000000, -0.0016954200000000, 0.0007497300000000 ] - [ -0.0025227800000000, -0.0000200100000000, 0.0006189300000000 ] - [ 0.0001413900000000, -0.0009780600000000, -0.0000265400000000 ] - [ 0.0017644000000000, 0.0000165000000000, -0.0015079300000000 ] - [ -0.0002720100000000, -0.0012238100000000, 0.0004678000000000 ] - [ 0.0001623300000000, 0.0004671500000000, 0.0003917300000000 ] - [ -0.0000415300000000, -0.0006079000000000, -0.0000944300000000 ] - [ 0.0004959900000000, -0.0006432300000000, 0.0007746700000000 ] - [ -0.0001892000000000, -0.0007804500000000, -0.0002003800000000 ] - [ -0.0001156500000000, 0.0016548900000000, -0.0006701700000000 ] - [ 0.0000074000000000, -0.0005239000000000, 0.0003597000000000 ] - [ -0.0006285600000000, 0.0041947800000000, 0.0018725700000000 ] - [ -0.0001208800000000, -0.0006675300000000, -0.0001280400000000 ] - [ -0.0000003600000000, 0.0006849900000000, 0.0003716300000000 ] - [ 0.0000047000000000, -0.0003668600000000, -0.0000085500000000 ] - [ -0.0011750200000000, 0.0053451600000000, -0.0045606000000000 ] - [ -0.0000045100000000, -0.0003843200000000, 0.0001168400000000 ] - [ 0.0002616500000000, 0.0007139700000000, -0.0009624600000000 ] - [ 0.0001568200000000, -0.0005255400000000, 0.0000168500000000 ] - [ 0.0005509600000000, 0.0005064800000000, -0.0007923600000000 ] - [ -0.0000777000000000, -0.0004868000000000, 0.0000418400000000 ] - [ -0.0031442800000000, 0.0000864300000000, 0.0019701800000000 ] - [ -0.0001214300000000, -0.0006524800000000, 0.0000327800000000 ] - [ -0.0017328900000000, 0.0096928500000000, -0.0043780900000000 ] - [ -0.0000538000000000, -0.0005124000000000, -0.0000930000000000 ] - [ 0.0000099600000000, 0.0006742400000000, 0.0004439800000000 ] - [ -0.0000008600000000, -0.0001718200000000, -0.0000855600000000 ] - [ 0.0013228400000000, 0.0041006600000000, 0.0027603900000000 ] - [ 0.0000304800000000, -0.0004946700000000, 0.0000011500000000 ] - [ 0.0001829100000000, 0.0011245400000000, 0.0008543400000000 ] - [ -0.0000211300000000, -0.0006515000000000, -0.0003048900000000 ] - [ -0.0000275200000000, 0.0006362400000000, 0.0003018700000000 ] - [ -0.0000159200000000, -0.0003972700000000, -0.0002729200000000 ] - [ -0.0000066200000000, -0.0000704200000000, 0.0001688800000000 ] - [ -0.0001965000000000, -0.0002976000000000, -0.0003971500000000 ] - [ -0.0001204200000000, -0.0000981600000000, 0.0001371900000000 ] - [ 0.0003439900000000, -0.0002595800000000, -0.0001754700000000 ] - [ -0.0000879500000000, 0.0005210300000000, 0.0005311800000000 ] - [ 0.0001184200000000, -0.0002739200000000, 0.0000723300000000 ] - [ 0.0000650900000000, 0.0006484800000000, -0.0000796500000000 ] - [ 0.0000201400000000, -0.0005858200000000, 0.0002451300000000 ] - [ -0.0013038500000000, 0.0077360200000000, 0.0025386900000000 ] - [ -0.0002508500000000, -0.0005352600000000, -0.0000382700000000 ] - [ -0.0007723000000000, 0.0011241600000000, -0.0006579100000000 ] - [ 0.0000839400000000, -0.0005079700000000, 0.0001339400000000 ] - [ 0.0010299400000000, -0.0011400200000000, -0.0000174500000000 ] - [ 0.0000118900000000, -0.0005899300000000, 0.0003831100000000 ] - [ -0.0004000800000000, 0.0013584500000000, 0.0004774300000000 ] - [ 0.0000241500000000, -0.0003613700000000, -0.0000201600000000 ] - [ -0.0001584100000000, 0.0001761200000000, 0.0001856000000000 ] - [ 0.0000317900000000, -0.0002034300000000, 0.0001374100000000 ] - [ 0.0001201800000000, 0.0000236300000000, 0.0001167200000000 ] - [ -0.0002500400000000, -0.0006165000000000, -0.0001241500000000 ] - [ -0.0004869600000000, -0.0002028000000000, -0.0007536700000000 ] - [ 0.0001734300000000, -0.0003371100000000, 0.0002638000000000 ] - [ 0.0000143500000000, 0.0001483000000000, -0.0001672100000000 ] - [ -0.0000276900000000, -0.0001404800000000, 0.0001294100000000 ] - [ -0.0001217200000000, 0.0001231900000000, -0.0000925500000000 ] - [ 0.0000989200000000, -0.0003753000000000, -0.0000704900000000 ] - [ 0.0002955100000000, 0.0000946800000000, 0.0002559300000000 ] - [ -0.0001903400000000, -0.0005412700000000, -0.0002665200000000 ] - [ -0.0003910100000000, -0.0004891200000000, -0.0000342000000000 ] - [ 0.0000822200000000, -0.0006025400000000, 0.0000618000000000 ] - [ 0.0000887100000000, 0.0001478000000000, -0.0000302800000000 ] - [ -0.0000366500000000, -0.0003172300000000, 0.0000047800000000 ] - [ 0.0000077100000000, 0.0002057000000000, -0.0001787100000000 ] - [ -0.0000147800000000, -0.0000540300000000, 0.0000524900000000 ] - [ -0.0009956300000000, -0.0004685100000000, 0.0002978900000000 ] - [ 0.0000617700000000, -0.0002421900000000, -0.0000556700000000 ] - [ -0.0003574800000000, -0.0005500100000000, -0.0007207100000000 ] - [ 0.0000380400000000, -0.0003677800000000, -0.0000139400000000 ] - [ -0.0000344800000000, 0.0000674800000000, 0.0001727500000000 ] - [ 0.0000317100000000, -0.0008075000000000, -0.0006161600000000 ] - [ 0.0004237000000000, 0.0005632900000000, 0.0001969800000000 ] - [ -0.0002869000000000, -0.0003766000000000, -0.0001201500000000 ] - [ 0.0001258500000000, 0.0012299800000000, -0.0003557500000000 ] - [ 0.0000244600000000, -0.0003819300000000, 0.0000504600000000 ] - [ 0.0001208700000000, 0.0001952200000000, -0.0000086600000000 ] - [ -0.0000253400000000, -0.0002081900000000, 0.0001541000000000 ] - [ 0.0012321500000000, -0.0039415200000000, 0.0009095500000000 ] - [ -0.0000081600000000, -0.0010268600000000, 0.0003841300000000 ] - [ 0.0001888400000000, 0.0005027500000000, 0.0000688100000000 ] - [ -0.0003651100000000, -0.0004368200000000, -0.0000770800000000 ] - [ -0.0005281300000000, -0.0012097100000000, 0.0009936800000000 ] - [ 0.0004526600000000, -0.0007552000000000, -0.0003257000000000 ] - [ -0.0017051700000000, 0.0018214700000000, -0.0009585400000000 ] - [ 0.0003740100000000, -0.0005007300000000, 0.0001314700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0349775700000000, 0.0965199700000000, 0.0085620000000000 ] - [ -0.0003508900000000, -0.0013860600000000, 0.0000495600000000 ] - [ -0.0108028800000000, 0.0017530100000000, 0.0064880200000000 ] - [ 0.0002828600000000, -0.0013278800000000, -0.0001168600000000 ] - [ -0.0001649900000000, 0.0001122200000000, -0.0002794400000000 ] - [ -0.0001542500000000, -0.0009859000000000, -0.0000949300000000 ] - [ -0.0003808200000000, 0.0014567500000000, -0.0002811500000000 ] - [ 0.0000187900000000, -0.0009269400000000, -0.0002058200000000 ] - [ 0.0014587500000000, -0.0004324800000000, 0.0020295200000000 ] - [ -0.0001897000000000, -0.0010117600000000, -0.0006007000000000 ] - [ -0.0017133800000000, -0.0012245300000000, 0.0016963000000000 ] - [ 0.0006926600000000, -0.0012957500000000, -0.0001496900000000 ] - [ -0.0005286300000000, -0.0207064700000000, -0.0011046300000000 ] - [ -0.0003406000000000, -0.0029663900000000, 0.0003609900000000 ] - [ -0.0000415500000000, 0.0011214300000000, 0.0024589100000000 ] - [ -0.0001377600000000, -0.0011425200000000, -0.0000178200000000 ] - [ 0.0011844700000000, 0.0055395200000000, 0.0011705400000000 ] - [ -0.0001920900000000, -0.0012926300000000, -0.0002053300000000 ] - [ -0.0001731800000000, 0.0023217700000000, -0.0001166800000000 ] - [ 0.0000872700000000, -0.0012579600000000, 0.0002025100000000 ] - [ -0.0008785500000000, 0.0068856800000000, 0.0001143000000000 ] - [ 0.0002650800000000, -0.0009322200000000, -0.0001159600000000 ] - [ 0.0001121300000000, 0.0014863500000000, -0.0000985400000000 ] - [ -0.0000807800000000, -0.0010161600000000, -0.0000762700000000 ] - [ -0.0006010900000000, -0.0004454900000000, -0.0000165600000000 ] - [ -0.0002796600000000, -0.0004497300000000, 0.0000558800000000 ] - [ -0.0040861100000000, -0.0025186700000000, 0.0001099700000000 ] - [ 0.0006416900000000, -0.0011764700000000, 0.0003558000000000 ] - [ -0.0001092600000000, 0.0008572200000000, -0.0001251700000000 ] - [ -0.0002585400000000, -0.0010665200000000, 0.0000184900000000 ] - [ 0.0008772000000000, -0.0014142500000000, -0.0034919000000000 ] - [ -0.0003044000000000, -0.0009470200000000, 0.0005987200000000 ] - [ 0.0015913400000000, 0.0015207000000000, -0.0013392200000000 ] - [ -0.0000002200000000, -0.0009582100000000, -0.0000264400000000 ] - [ -0.0056345400000000, -0.0005992200000000, -0.0100653800000000 ] - [ 0.0004960800000000, -0.0015974500000000, 0.0001878000000000 ] - [ -0.0018309700000000, 0.0023882600000000, -0.0000813300000000 ] - [ -0.0001004500000000, -0.0009800500000000, 0.0000989600000000 ] - [ 0.0004659400000000, 0.0001740300000000, 0.0000467600000000 ] - [ -0.0001894700000000, -0.0005719700000000, -0.0000039100000000 ] - [ 0.0012152900000000, -0.0017971000000000, 0.0023672600000000 ] - [ -0.0012507800000000, -0.0021894200000000, -0.0007091200000000 ] - [ 0.0000024700000000, -0.0004338700000000, -0.0000856100000000 ] - [ -0.0002918400000000, -0.0004854800000000, -0.0002361700000000 ] - [ -0.0005470800000000, -0.0004357600000000, 0.0005965100000000 ] - [ 0.0006441700000000, -0.0004408700000000, -0.0002650600000000 ] - [ 0.0030965100000000, -0.0020889500000000, -0.0039872500000000 ] - [ -0.0000303400000000, -0.0016545500000000, 0.0007070100000000 ] - [ 0.0014766000000000, -0.0021568000000000, -0.0009413000000000 ] - [ 0.0000848900000000, 0.0011982000000000, 0.0000649700000000 ] - [ -0.0275267900000000, -0.0488631900000000, -0.0057511900000000 ] - [ -0.0002205200000000, 0.0016587400000000, 0.0002034200000000 ] - [ -0.0006425100000000, -0.0022401200000000, -0.0007903800000000 ] - [ 0.0000399700000000, 0.0009826600000000, -0.0001215400000000 ] - [ 0.0005128500000000, -0.0015611600000000, 0.0001971700000000 ] - [ -0.0001368800000000, 0.0012083400000000, 0.0000266300000000 ] - [ 0.0007869100000000, 0.0031100000000000, 0.0033842800000000 ] - [ 0.0003095700000000, 0.0018219100000000, -0.0009183500000000 ] - [ 0.0024618200000000, -0.0001078600000000, -0.0004373900000000 ] - [ -0.0002066000000000, 0.0008404500000000, 0.0002045500000000 ] - [ -0.0016953500000000, -0.0001423500000000, 0.0013266800000000 ] - [ 0.0003365500000000, 0.0010883700000000, -0.0006488200000000 ] - [ -0.0002240800000000, -0.0003355000000000, -0.0002075900000000 ] - [ -0.0000232300000000, 0.0007447300000000, 0.0002724900000000 ] - [ -0.0004968200000000, 0.0006605400000000, -0.0007793600000000 ] - [ 0.0001858700000000, 0.0007960200000000, 0.0001965700000000 ] - [ 0.0000654500000000, -0.0015948400000000, 0.0008492700000000 ] - [ -0.0000613600000000, 0.0005845000000000, -0.0001786500000000 ] - [ 0.0005384300000000, -0.0042467500000000, -0.0016563500000000 ] - [ 0.0000681100000000, 0.0006063200000000, 0.0003067500000000 ] - [ 0.0000009100000000, -0.0007036000000000, -0.0003702500000000 ] - [ -0.0000055800000000, 0.0003465800000000, 0.0000087400000000 ] - [ 0.0011126300000000, -0.0050064500000000, 0.0043479100000000 ] - [ -0.0000285100000000, 0.0007313400000000, -0.0002715800000000 ] - [ -0.0002521100000000, -0.0009035400000000, 0.0008008900000000 ] - [ -0.0001496500000000, 0.0003337300000000, -0.0001749100000000 ] - [ -0.0005512200000000, -0.0006533100000000, 0.0007900000000000 ] - [ 0.0000771100000000, 0.0003394900000000, -0.0000427500000000 ] - [ 0.0031601100000000, -0.0002459900000000, -0.0018198500000000 ] - [ 0.0001123800000000, 0.0004602800000000, 0.0001239300000000 ] - [ 0.0018526500000000, -0.0098318400000000, 0.0046298300000000 ] - [ 0.0000527100000000, 0.0005323400000000, 0.0000902300000000 ] - [ 0.0000222000000000, -0.0003266000000000, -0.0002905900000000 ] - [ 0.0000337000000000, 0.0005193400000000, 0.0002405100000000 ] - [ -0.0012283700000000, -0.0038427200000000, -0.0026111700000000 ] - [ -0.0000317200000000, 0.0006417500000000, -0.0000013500000000 ] - [ -0.0002147300000000, -0.0014716200000000, -0.0010088000000000 ] - [ -0.0000118900000000, 0.0003033900000000, 0.0001476700000000 ] - [ 0.0000800600000000, -0.0005742600000000, -0.0004818900000000 ] - [ 0.0000687000000000, 0.0004584300000000, 0.0000918600000000 ] - [ 0.0000051400000000, 0.0000688600000000, -0.0001703600000000 ] - [ 0.0001969400000000, 0.0002988400000000, 0.0003959700000000 ] - [ 0.0001195200000000, 0.0000862900000000, -0.0001371200000000 ] - [ -0.0003451500000000, 0.0002450700000000, 0.0001753500000000 ] - [ 0.0000790700000000, -0.0003290700000000, -0.0003720200000000 ] - [ -0.0001269200000000, 0.0004654400000000, 0.0000842400000000 ] - [ -0.0000325300000000, -0.0009950300000000, 0.0002337900000000 ] - [ 0.0000122100000000, 0.0002381500000000, -0.0000903300000000 ] - [ 0.0014900600000000, -0.0077580900000000, -0.0029048400000000 ] - [ 0.0002568700000000, 0.0007250400000000, -0.0001185800000000 ] - [ 0.0008216200000000, -0.0011830100000000, 0.0004767100000000 ] - [ -0.0000311500000000, 0.0004463700000000, -0.0003147500000000 ] - [ -0.0010327800000000, 0.0011415800000000, 0.0000201700000000 ] - [ -0.0000165600000000, 0.0005909600000000, -0.0003827200000000 ] - [ 0.0003990300000000, -0.0013450600000000, -0.0004801300000000 ] - [ -0.0000239000000000, 0.0003746800000000, 0.0000194500000000 ] - [ 0.0001047300000000, -0.0001136500000000, -0.0000063500000000 ] - [ -0.0000850600000000, 0.0002635300000000, 0.0000428600000000 ] - [ -0.0001735300000000, -0.0000857400000000, 0.0000624500000000 ] - [ 0.0001961800000000, 0.0005559900000000, 0.0003040000000000 ] - [ 0.0004890200000000, 0.0001837600000000, 0.0007568700000000 ] - [ -0.0001720100000000, 0.0003171400000000, -0.0002602500000000 ] - [ -0.0000478700000000, 0.0001982200000000, 0.0000113300000000 ] - [ -0.0000052200000000, 0.0004893200000000, -0.0002848900000000 ] - [ 0.0001296500000000, -0.0003149500000000, -0.0000657500000000 ] - [ -0.0000914000000000, 0.0001846100000000, -0.0000875700000000 ] - [ -0.0002974000000000, -0.0002374800000000, -0.0002575200000000 ] - [ 0.0001911600000000, 0.0003934200000000, 0.0002660100000000 ] - [ 0.0003775800000000, 0.0002933600000000, 0.0001911600000000 ] - [ -0.0000881000000000, 0.0004096200000000, 0.0000952700000000 ] - [ -0.0000887100000000, -0.0001259800000000, 0.0000279600000000 ] - [ 0.0000368500000000, 0.0003362300000000, -0.0000058400000000 ] - [ 0.0000250100000000, 0.0001401500000000, 0.0003327000000000 ] - [ 0.0000476100000000, 0.0004028000000000, 0.0001027400000000 ] - [ 0.0010013800000000, 0.0006195000000000, -0.0002992500000000 ] - [ -0.0000612000000000, 0.0003903100000000, 0.0000555000000000 ] - [ 0.0003241100000000, 0.0002042200000000, 0.0005647500000000 ] - [ -0.0000712600000000, 0.0000189300000000, -0.0001427500000000 ] - [ 0.0000882000000000, -0.0000002000000000, -0.0003513700000000 ] - [ 0.0000201500000000, 0.0008681300000000, 0.0004358600000000 ] - [ -0.0004243300000000, -0.0005636000000000, -0.0001983100000000 ] - [ 0.0002867600000000, 0.0003768700000000, 0.0001198000000000 ] - [ -0.0001294400000000, -0.0012450100000000, 0.0003542900000000 ] - [ -0.0000241700000000, 0.0003679500000000, -0.0000502900000000 ] - [ -0.0001290700000000, -0.0000008500000000, 0.0001646200000000 ] - [ 0.0000183700000000, 0.0003989500000000, 0.0000027500000000 ] - [ -0.0011793800000000, 0.0035405500000000, -0.0007465300000000 ] - [ 0.0000421600000000, 0.0006875800000000, -0.0002297900000000 ] - [ -0.0001796100000000, -0.0003090000000000, -0.0002259500000000 ] - [ 0.0003734000000000, 0.0006270800000000, -0.0000813800000000 ] - [ 0.0005841600000000, 0.0011494900000000, -0.0011796900000000 ] - [ -0.0003969600000000, 0.0006922100000000, 0.0001397600000000 ] - [ 0.0017115200000000, -0.0018227100000000, 0.0009600900000000 ] - [ -0.0003725300000000, 0.0004990600000000, -0.0001313500000000 ]- atom: 1 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ 0.0108185000000000, 0.0019931800000000, -0.0631190600000000 ] - [ -0.0000499200000000, 0.0001580600000000, -0.0000406200000000 ] - [ -0.0086150700000000, -0.0073645800000000, -0.0009857800000000 ] - [ -0.0000089100000000, 0.0001167800000000, -0.0001771800000000 ] - [ -0.0005458400000000, -0.0003826000000000, 0.0020267500000000 ] - [ -0.0002788000000000, -0.0000988900000000, 0.0003228800000000 ] - [ 0.0002218500000000, 0.0001538800000000, 0.0002994000000000 ] - [ 0.0000128400000000, 0.0000237000000000, 0.0000241900000000 ] - [ 0.0013292000000000, -0.0017581500000000, 0.0024736000000000 ] - [ 0.0004681000000000, 0.0005648600000000, 0.0002268700000000 ] - [ -0.0010647400000000, -0.0016712900000000, 0.0007495500000000 ] - [ -0.0001595500000000, 0.0001702100000000, 0.0000328400000000 ] - [ 0.0014288600000000, 0.0003097500000000, -0.0047363400000000 ] - [ -0.0001364800000000, 0.0003747100000000, -0.0006925300000000 ] - [ -0.0006305400000000, -0.0007563300000000, 0.0059420200000000 ] - [ 0.0000288400000000, 0.0001176000000000, 0.0002308400000000 ] - [ -0.0038882400000000, -0.0010856000000000, 0.0011162000000000 ] - [ 0.0000004500000000, -0.0001606300000000, -0.0001214800000000 ] - [ -0.0007794700000000, -0.0003702000000000, 0.0026454300000000 ] - [ -0.0000946400000000, -0.0001353900000000, 0.0002778800000000 ] - [ 0.0030922900000000, 0.0006675600000000, 0.0038328500000000 ] - [ 0.0001125000000000, 0.0001203500000000, -0.0001214600000000 ] - [ 0.0009687900000000, -0.0002083500000000, -0.0006613300000000 ] - [ -0.0000200700000000, 0.0000030500000000, -0.0001071400000000 ] - [ -0.0000351800000000, 0.0001715600000000, -0.0002426000000000 ] - [ -0.0003208000000000, 0.0001480400000000, -0.0003279500000000 ] - [ 0.0020585800000000, -0.0005538900000000, -0.0034325900000000 ] - [ 0.0000913500000000, -0.0001218000000000, -0.0007445100000000 ] - [ 0.0003764700000000, 0.0000766900000000, 0.0014414700000000 ] - [ -0.0001804800000000, -0.0001857100000000, 0.0001516100000000 ] - [ 0.0013325000000000, 0.0034024000000000, 0.0020396700000000 ] - [ -0.0001468800000000, -0.0006955400000000, 0.0000461700000000 ] - [ -0.0018445600000000, 0.0006102700000000, 0.0039461300000000 ] - [ 0.0001906400000000, 0.0001312500000000, 0.0000142200000000 ] - [ 0.0066194200000000, 0.0077587700000000, 0.0013960100000000 ] - [ 0.0002626800000000, -0.0003124400000000, -0.0000515700000000 ] - [ -0.0012381900000000, 0.0002027000000000, -0.0015907500000000 ] - [ -0.0002175200000000, 0.0001917200000000, -0.0001167700000000 ] - [ -0.0007313600000000, 0.0000316300000000, 0.0011484500000000 ] - [ 0.0000073600000000, 0.0000168900000000, 0.0004741000000000 ] - [ 0.0002691700000000, -0.0022287700000000, -0.0010239400000000 ] - [ 0.0004324400000000, 0.0000154900000000, 0.0000100300000000 ] - [ 0.0001937500000000, -0.0003864500000000, 0.0007717300000000 ] - [ 0.0001515900000000, -0.0004455600000000, 0.0003412400000000 ] - [ 0.0000952100000000, -0.0001369800000000, 0.0001366600000000 ] - [ -0.0005900900000000, 0.0010354100000000, -0.0000658000000000 ] - [ 0.0001900900000000, 0.0046350800000000, 0.0023684800000000 ] - [ -0.0002960400000000, -0.0003769300000000, 0.0000006700000000 ] - [ 0.0017017800000000, 0.0010131100000000, 0.0001298000000000 ] - [ 0.0001358200000000, 0.0000000700000000, -0.0000797900000000 ] - [ -0.0093692100000000, -0.0041722700000000, 0.0156117400000000 ] - [ -0.0000640100000000, -0.0000863500000000, 0.0003277200000000 ] - [ -0.0022641800000000, 0.0006899600000000, -0.0014836700000000 ] - [ -0.0000525000000000, -0.0001449800000000, -0.0001324700000000 ] - [ 0.0013144400000000, 0.0005008300000000, -0.0027732800000000 ] - [ -0.0000020500000000, 0.0000526800000000, -0.0000621100000000 ] - [ -0.0015198000000000, -0.0009008700000000, 0.0013168800000000 ] - [ 0.0001500700000000, 0.0005347900000000, 0.0004961200000000 ] - [ 0.0002730300000000, 0.0006977300000000, 0.0015695400000000 ] - [ -0.0000204900000000, -0.0000620900000000, 0.0003981500000000 ] - [ 0.0013254200000000, -0.0015359900000000, -0.0024713000000000 ] - [ 0.0001359000000000, 0.0000244000000000, -0.0003609300000000 ] - [ -0.0001229700000000, 0.0003705100000000, -0.0012156700000000 ] - [ -0.0001563200000000, 0.0001675700000000, -0.0002125700000000 ] - [ 0.0000487700000000, 0.0006708300000000, 0.0001247900000000 ] - [ -0.0002497900000000, -0.0006323100000000, 0.0001851900000000 ] - [ 0.0003969900000000, -0.0003965900000000, -0.0010528200000000 ] - [ -0.0000205300000000, 0.0000709200000000, 0.0000270300000000 ] - [ -0.0068819800000000, 0.0010930900000000, 0.0046202600000000 ] - [ -0.0000307600000000, -0.0000125800000000, 0.0001290000000000 ] - [ -0.0000025300000000, 0.0001616900000000, -0.0009658600000000 ] - [ -0.0000104600000000, -0.0000361700000000, -0.0000476100000000 ] - [ 0.0061249000000000, -0.0056174400000000, 0.0158066900000000 ] - [ -0.0000107900000000, 0.0001436800000000, -0.0000550700000000 ] - [ 0.0004197400000000, -0.0001339100000000, -0.0011586600000000 ] - [ 0.0000335800000000, -0.0000571400000000, -0.0001253800000000 ] - [ 0.0004511700000000, -0.0002104100000000, -0.0009002200000000 ] - [ 0.0000336600000000, -0.0000385900000000, -0.0000550500000000 ] - [ -0.0013354100000000, 0.0001918100000000, 0.0021347500000000 ] - [ 0.0000307000000000, -0.0002157200000000, 0.0001167200000000 ] - [ 0.0011891700000000, -0.0035879200000000, 0.0040879900000000 ] - [ 0.0000156400000000, -0.0000739100000000, 0.0000538400000000 ] - [ -0.0003294700000000, -0.0000744300000000, -0.0009357000000000 ] - [ 0.0000025200000000, 0.0001807700000000, 0.0000186500000000 ] - [ 0.0029853400000000, 0.0054823700000000, 0.0086603000000000 ] - [ -0.0000057200000000, 0.0001757300000000, 0.0000477400000000 ] - [ 0.0002385700000000, 0.0002628300000000, -0.0012815600000000 ] - [ -0.0000210100000000, -0.0002168100000000, -0.0001176800000000 ] - [ 0.0002802200000000, -0.0002339000000000, -0.0005201300000000 ] - [ 0.0000461200000000, 0.0000195500000000, -0.0001344900000000 ] - [ 0.0001607000000000, 0.0001807300000000, -0.0001533800000000 ] - [ -0.0002976900000000, -0.0003690100000000, -0.0005115800000000 ] - [ 0.0000484600000000, 0.0000923900000000, -0.0002472800000000 ] - [ 0.0002158400000000, -0.0001458400000000, -0.0001737200000000 ] - [ 0.0002106100000000, 0.0004133700000000, -0.0008448400000000 ] - [ -0.0000073500000000, 0.0000542400000000, 0.0000352200000000 ] - [ 0.0005021800000000, -0.0003159900000000, 0.0009428700000000 ] - [ 0.0000329700000000, -0.0001809600000000, 0.0001407300000000 ] - [ -0.0037851700000000, 0.0029293900000000, 0.0037723600000000 ] - [ -0.0000169100000000, 0.0002025500000000, 0.0000004200000000 ] - [ -0.0005707400000000, -0.0002732600000000, 0.0004214900000000 ] - [ 0.0000028000000000, -0.0000405800000000, -0.0000459800000000 ] - [ 0.0004028800000000, -0.0010421100000000, 0.0004663600000000 ] - [ -0.0001612600000000, 0.0004118000000000, 0.0001698200000000 ] - [ 0.0008848500000000, 0.0002706900000000, 0.0002437700000000 ] - [ 0.0000042500000000, -0.0000107500000000, 0.0000186500000000 ] - [ -0.0000112000000000, 0.0001714400000000, -0.0001194000000000 ] - [ 0.0000333500000000, 0.0001024600000000, -0.0000325400000000 ] - [ -0.0002584000000000, 0.0002304500000000, 0.0003884400000000 ] - [ -0.0000811900000000, 0.0000810400000000, 0.0002203100000000 ] - [ -0.0001060900000000, 0.0000958600000000, -0.0001326000000000 ] - [ -0.0000524800000000, 0.0000994400000000, -0.0000851600000000 ] - [ 0.0001040700000000, 0.0000174400000000, -0.0000995500000000 ] - [ 0.0000395300000000, 0.0003164500000000, -0.0000779200000000 ] - [ -0.0001248300000000, 0.0000285200000000, -0.0001528500000000 ] - [ 0.0001017800000000, -0.0001373700000000, -0.0001525100000000 ] - [ -0.0004621000000000, 0.0003364900000000, -0.0004918200000000 ] - [ -0.0000972300000000, -0.0000830900000000, -0.0001570600000000 ] - [ -0.0002310600000000, -0.0000581200000000, 0.0005367400000000 ] - [ -0.0000157600000000, -0.0000083000000000, 0.0001803300000000 ] - [ 0.0003492200000000, -0.0002409200000000, 0.0002462400000000 ] - [ 0.0000186400000000, 0.0000343700000000, 0.0000426700000000 ] - [ -0.0000205800000000, -0.0000255500000000, -0.0004758900000000 ] - [ 0.0000026000000000, 0.0001572900000000, -0.0004484400000000 ] - [ -0.0001704900000000, 0.0000995200000000, 0.0002092200000000 ] - [ 0.0001060400000000, -0.0000426600000000, 0.0001857000000000 ] - [ -0.0001735000000000, -0.0004157500000000, -0.0002543900000000 ] - [ -0.0000755000000000, -0.0000080700000000, -0.0000558100000000 ] - [ 0.0004730300000000, 0.0009251900000000, -0.0005391100000000 ] - [ -0.0000759800000000, -0.0003517900000000, -0.0002815900000000 ] - [ -0.0002009800000000, -0.0002195500000000, -0.0006092400000000 ] - [ -0.0000156300000000, -0.0000151400000000, -0.0000346100000000 ] - [ -0.0008497700000000, -0.0004949700000000, -0.0005610700000000 ] - [ -0.0000152100000000, 0.0000044300000000, -0.0000329600000000 ] - [ 0.0002688900000000, 0.0001654200000000, -0.0004584500000000 ] - [ -0.0000494100000000, 0.0001566100000000, 0.0000396000000000 ] - [ 0.0000553300000000, -0.0005281800000000, 0.0017046800000000 ] - [ 0.0000641900000000, -0.0002475100000000, 0.0003327000000000 ] - [ -0.0000217400000000, 0.0002211900000000, 0.0001438800000000 ] - [ -0.0000514300000000, 0.0000824000000000, -0.0000435900000000 ] - [ 0.0000145100000000, 0.0001931400000000, -0.0000380400000000 ] - [ 0.0001055800000000, -0.0004001500000000, 0.0001990300000000 ] - [ 0.0000466500000000, -0.0002419900000000, 0.0007893900000000 ] - [ 0.0000070800000000, -0.0000067700000000, 0.0000313300000000 ]- atom: 1 displacement: [ 0.0028919147919272, 0.0000000000000000, -0.0095727127208661 ] forces: - [ -0.0108628600000000, -0.0019685400000000, 0.0637327900000000 ] - [ -0.0000844100000000, 0.0001481500000000, 0.0003290900000000 ] - [ 0.0085614300000000, 0.0072174700000000, 0.0010242100000000 ] - [ -0.0000038300000000, -0.0001880300000000, 0.0002844200000000 ] - [ 0.0001565700000000, 0.0000307500000000, -0.0020267600000000 ] - [ -0.0001080200000000, -0.0002493200000000, -0.0003200900000000 ] - [ -0.0002019500000000, -0.0000869500000000, -0.0004066800000000 ] - [ 0.0000036900000000, 0.0000502100000000, -0.0001303300000000 ] - [ -0.0009463200000000, 0.0021041100000000, -0.0024851500000000 ] - [ -0.0000771200000000, -0.0002142500000000, -0.0002285600000000 ] - [ 0.0014598600000000, 0.0013209200000000, -0.0007558900000000 ] - [ 0.0005445900000000, -0.0005154100000000, -0.0000342100000000 ] - [ -0.0018399300000000, 0.0001022200000000, 0.0047504600000000 ] - [ -0.0002494200000000, -0.0000235000000000, 0.0006976000000000 ] - [ 0.0006045600000000, 0.0008312400000000, -0.0058451100000000 ] - [ -0.0000415600000000, -0.0000407100000000, -0.0001208400000000 ] - [ 0.0040343200000000, 0.0007796800000000, -0.0014104700000000 ] - [ 0.0001361500000000, -0.0001355300000000, -0.0001672400000000 ] - [ 0.0006470300000000, 0.0000620900000000, -0.0023544000000000 ] - [ -0.0000392600000000, -0.0001640000000000, 0.0000121200000000 ] - [ -0.0029475600000000, -0.0003737900000000, -0.0041233600000000 ] - [ 0.0000243000000000, 0.0001857900000000, -0.0001670800000000 ] - [ -0.0009534300000000, 0.0001317300000000, 0.0005509400000000 ] - [ 0.0000362800000000, -0.0000712000000000, -0.0000020100000000 ] - [ -0.0000913900000000, 0.0001331000000000, 0.0005326300000000 ] - [ 0.0001871000000000, 0.0001566300000000, 0.0006181400000000 ] - [ -0.0020704400000000, 0.0004901200000000, 0.0035494100000000 ] - [ -0.0001074300000000, 0.0000488700000000, 0.0008521500000000 ] - [ -0.0007623400000000, -0.0004298100000000, -0.0014369000000000 ] - [ -0.0002051900000000, -0.0001615400000000, -0.0001470100000000 ] - [ -0.0013184300000000, -0.0033439600000000, -0.0021463300000000 ] - [ 0.0001661100000000, 0.0007728300000000, -0.0001548800000000 ] - [ 0.0022245300000000, -0.0002574200000000, -0.0039556400000000 ] - [ 0.0002005300000000, 0.0002224800000000, -0.0000172600000000 ] - [ -0.0062797400000000, -0.0081587000000000, -0.0013592700000000 ] - [ 0.0001245700000000, -0.0000332500000000, 0.0000467700000000 ] - [ 0.0008548000000000, 0.0001429300000000, 0.0015922000000000 ] - [ -0.0001706900000000, 0.0001612400000000, 0.0001171800000000 ] - [ 0.0007163500000000, 0.0000382700000000, -0.0010397000000000 ] - [ -0.0000219700000000, 0.0000589900000000, -0.0003679000000000 ] - [ -0.0001363100000000, 0.0019364200000000, 0.0007321600000000 ] - [ -0.0002948200000000, -0.0003101600000000, -0.0002978700000000 ] - [ -0.0003264200000000, 0.0000852400000000, -0.0004848600000000 ] - [ -0.0002822500000000, 0.0001443300000000, -0.0000514000000000 ] - [ 0.0000418500000000, 0.0004386900000000, -0.0004316100000000 ] - [ 0.0007219300000000, -0.0007310600000000, -0.0002250500000000 ] - [ -0.0001677800000000, -0.0046907900000000, -0.0024671700000000 ] - [ 0.0003113700000000, 0.0003101100000000, -0.0001132600000000 ] - [ -0.0016402400000000, -0.0008777000000000, -0.0003111100000000 ] - [ -0.0000700400000000, 0.0001281500000000, -0.0001021400000000 ] - [ 0.0093576200000000, 0.0041105800000000, -0.0154527300000000 ] - [ -0.0000005600000000, -0.0000499500000000, -0.0001477000000000 ] - [ 0.0023314500000000, -0.0008174100000000, 0.0013045300000000 ] - [ 0.0001183300000000, 0.0000093500000000, -0.0000492500000000 ] - [ -0.0013725300000000, -0.0003672900000000, 0.0029570600000000 ] - [ -0.0000618600000000, 0.0000752100000000, 0.0002437400000000 ] - [ 0.0015969800000000, 0.0010291200000000, -0.0015203700000000 ] - [ -0.0000832500000000, -0.0004065300000000, -0.0006791400000000 ] - [ -0.0003432000000000, -0.0008314200000000, -0.0013893400000000 ] - [ -0.0000445500000000, -0.0000740900000000, -0.0002177700000000 ] - [ -0.0012524400000000, 0.0014000000000000, 0.0022892200000000 ] - [ -0.0000704500000000, -0.0001611800000000, 0.0001813400000000 ] - [ 0.0000586100000000, -0.0002348000000000, 0.0013983600000000 ] - [ 0.0000901800000000, -0.0000356500000000, 0.0003931600000000 ] - [ -0.0000448800000000, -0.0006572200000000, -0.0001223700000000 ] - [ 0.0002503400000000, 0.0006447600000000, -0.0001866700000000 ] - [ -0.0004474100000000, 0.0004637600000000, 0.0012344100000000 ] - [ -0.0000313200000000, -0.0000112300000000, 0.0001532000000000 ] - [ 0.0064491500000000, -0.0009639800000000, -0.0041619400000000 ] - [ -0.0000218500000000, -0.0000505800000000, 0.0000507300000000 ] - [ 0.0000017200000000, -0.0001819900000000, 0.0009681700000000 ] - [ 0.0000112500000000, 0.0000143500000000, 0.0000480800000000 ] - [ -0.0064785400000000, 0.0062166300000000, -0.0165335700000000 ] - [ -0.0000180500000000, 0.0002035200000000, -0.0001016800000000 ] - [ -0.0004091300000000, -0.0000588000000000, 0.0009982900000000 ] - [ -0.0000224600000000, -0.0001362200000000, -0.0000310600000000 ] - [ -0.0004503200000000, 0.0000679700000000, 0.0008962400000000 ] - [ -0.0000328700000000, -0.0001087500000000, 0.0000534600000000 ] - [ 0.0014050000000000, -0.0003491800000000, -0.0020041900000000 ] - [ -0.0000395300000000, 0.0000226400000000, 0.0000393400000000 ] - [ -0.0010697100000000, 0.0034668900000000, -0.0039338900000000 ] - [ -0.0000146000000000, 0.0000933200000000, -0.0000555200000000 ] - [ 0.0003610900000000, 0.0004240200000000, 0.0010912300000000 ] - [ 0.0000289900000000, 0.0001675000000000, 0.0001361600000000 ] - [ -0.0028699300000000, -0.0051896100000000, -0.0085374500000000 ] - [ 0.0000069800000000, -0.0000307100000000, -0.0000470700000000 ] - [ -0.0002631800000000, -0.0006053700000000, 0.0011248000000000 ] - [ -0.0000086500000000, -0.0001337800000000, -0.0000387400000000 ] - [ -0.0002266700000000, 0.0002967100000000, 0.0003402700000000 ] - [ 0.0000081200000000, 0.0000401600000000, -0.0000472800000000 ] - [ -0.0001590400000000, -0.0001808400000000, 0.0001534500000000 ] - [ 0.0002968600000000, 0.0003671900000000, 0.0005099400000000 ] - [ -0.0000483800000000, -0.0001074200000000, 0.0002465100000000 ] - [ -0.0002140600000000, 0.0001312700000000, 0.0001728700000000 ] - [ -0.0002210100000000, -0.0002193700000000, 0.0010013600000000 ] - [ -0.0000010800000000, 0.0001362900000000, 0.0001210600000000 ] - [ -0.0004730800000000, -0.0000313400000000, -0.0007887700000000 ] - [ -0.0000014800000000, -0.0001688300000000, 0.0000156500000000 ] - [ 0.0039941500000000, -0.0029547800000000, -0.0040831200000000 ] - [ 0.0000270000000000, -0.0000121700000000, -0.0001581400000000 ] - [ 0.0006229800000000, 0.0002147400000000, -0.0006045500000000 ] - [ 0.0000517800000000, -0.0000220700000000, -0.0001346600000000 ] - [ -0.0003999200000000, 0.0010421600000000, -0.0004671700000000 ] - [ 0.0001632000000000, -0.0004143000000000, -0.0001699300000000 ] - [ -0.0008800300000000, -0.0002522900000000, -0.0002421600000000 ] - [ -0.0000034300000000, 0.0000236500000000, -0.0000190000000000 ] - [ -0.0000415400000000, -0.0001102600000000, 0.0002996300000000 ] - [ -0.0000855600000000, -0.0000419000000000, 0.0002126700000000 ] - [ 0.0002054800000000, -0.0002907300000000, -0.0002079700000000 ] - [ 0.0000290800000000, -0.0001443500000000, -0.0000407400000000 ] - [ 0.0001052200000000, -0.0001164700000000, 0.0001295100000000 ] - [ 0.0000539800000000, -0.0001200900000000, 0.0000857500000000 ] - [ -0.0001335600000000, 0.0003320100000000, -0.0000576400000000 ] - [ -0.0000685200000000, 0.0000321400000000, -0.0000775800000000 ] - [ 0.0001349200000000, -0.0002192500000000, -0.0000038200000000 ] - [ -0.0000904600000000, -0.0000544500000000, -0.0000046900000000 ] - [ 0.0004643000000000, -0.0004821900000000, 0.0004906600000000 ] - [ 0.0000984600000000, -0.0000650600000000, 0.0001549900000000 ] - [ 0.0002168900000000, -0.0001380700000000, -0.0003828400000000 ] - [ 0.0000070100000000, -0.0001837100000000, -0.0000245100000000 ] - [ -0.0003476800000000, 0.0002613300000000, -0.0002477500000000 ] - [ -0.0000178300000000, -0.0000158000000000, -0.0000441500000000 ] - [ 0.0000515900000000, 0.0003771100000000, 0.0006322300000000 ] - [ 0.0000280400000000, 0.0001910000000000, 0.0006042100000000 ] - [ 0.0001644700000000, 0.0000429000000000, -0.0002056100000000 ] - [ -0.0001052200000000, 0.0001880600000000, -0.0001852400000000 ] - [ 0.0001461000000000, 0.0000677600000000, 0.0000986200000000 ] - [ 0.0000469900000000, -0.0003420000000000, -0.0001002100000000 ] - [ -0.0004185900000000, -0.0008682800000000, 0.0003600700000000 ] - [ 0.0001305500000000, 0.0004116900000000, 0.0000993100000000 ] - [ 0.0002034100000000, 0.0002205600000000, 0.0006094400000000 ] - [ 0.0000159600000000, 0.0000139500000000, 0.0000345100000000 ] - [ 0.0008522100000000, 0.0004847300000000, 0.0005599500000000 ] - [ 0.0000168000000000, -0.0000195200000000, 0.0000324100000000 ] - [ -0.0002771400000000, 0.0000267100000000, 0.0006144700000000 ] - [ 0.0000404800000000, 0.0000335900000000, 0.0001173200000000 ] - [ -0.0000261600000000, 0.0001750500000000, -0.0015501600000000 ] - [ -0.0000337300000000, -0.0001058600000000, -0.0001768900000000 ] - [ 0.0000320400000000, -0.0000285600000000, -0.0003003200000000 ] - [ 0.0000608000000000, 0.0001063300000000, -0.0001139300000000 ] - [ 0.0000376200000000, -0.0002603400000000, -0.0001381200000000 ] - [ -0.0000505500000000, 0.0003372900000000, -0.0003791100000000 ] - [ -0.0000503400000000, 0.0002489700000000, -0.0007949700000000 ] - [ -0.0000046100000000, 0.0000059700000000, -0.0000315800000000 ]- atom: 3 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ 0.0152833000000000, 0.0109633800000000, -0.0042735000000000 ] - [ 0.0000286500000000, -0.0001446600000000, 0.0001718100000000 ] - [ -0.0963690400000000, 0.0006536700000000, 0.0395424600000000 ] - [ -0.0003384600000000, -0.0001140700000000, 0.0000435700000000 ] - [ -0.0001780100000000, -0.0003042400000000, 0.0003353700000000 ] - [ -0.0001142400000000, -0.0003983100000000, -0.0000775700000000 ] - [ 0.0008457700000000, -0.0011265100000000, 0.0020072900000000 ] - [ -0.0001919400000000, 0.0000815000000000, 0.0001366400000000 ] - [ 0.0019163300000000, 0.0003321600000000, 0.0012026400000000 ] - [ 0.0004095400000000, 0.0001685200000000, 0.0000767900000000 ] - [ 0.0009095900000000, -0.0002908200000000, -0.0000248600000000 ] - [ 0.0008129900000000, -0.0003736000000000, 0.0004924100000000 ] - [ 0.0094111600000000, -0.0104038600000000, -0.0054393300000000 ] - [ -0.0001084300000000, 0.0005548800000000, -0.0000693900000000 ] - [ -0.0002969500000000, 0.0001570000000000, -0.0019946700000000 ] - [ -0.0001765000000000, -0.0001704700000000, -0.0002147900000000 ] - [ 0.0022712400000000, 0.0002459400000000, 0.0007381400000000 ] - [ 0.0002680200000000, -0.0001561200000000, -0.0000780500000000 ] - [ -0.0000525900000000, -0.0001888200000000, -0.0005135300000000 ] - [ 0.0000131000000000, -0.0002777000000000, 0.0002049400000000 ] - [ 0.0023926500000000, 0.0002578300000000, 0.0015683800000000 ] - [ 0.0003223900000000, 0.0000568700000000, -0.0000978400000000 ] - [ 0.0078469400000000, 0.0001510900000000, -0.0043042100000000 ] - [ 0.0000718400000000, -0.0000977500000000, -0.0001983100000000 ] - [ 0.0027310900000000, 0.0042167000000000, 0.0031456400000000 ] - [ -0.0000402400000000, -0.0005056000000000, 0.0002541200000000 ] - [ 0.0016050800000000, 0.0000152400000000, -0.0000977300000000 ] - [ 0.0016052700000000, 0.0000206300000000, -0.0000009600000000 ] - [ 0.0001074000000000, 0.0000718000000000, -0.0008730900000000 ] - [ -0.0002447600000000, -0.0002534500000000, -0.0000441900000000 ] - [ 0.0018166300000000, -0.0003685900000000, -0.0019185400000000 ] - [ 0.0002164900000000, 0.0000958200000000, -0.0000598700000000 ] - [ -0.0040678400000000, -0.0028892600000000, -0.0020059100000000 ] - [ -0.0002152200000000, 0.0001853800000000, -0.0004553400000000 ] - [ -0.0047700500000000, -0.0019469600000000, -0.0111731100000000 ] - [ 0.0000287700000000, -0.0002555800000000, 0.0000140400000000 ] - [ 0.0033205000000000, -0.0037644800000000, 0.0032976700000000 ] - [ -0.0002512200000000, 0.0006601400000000, 0.0003579900000000 ] - [ 0.0005429100000000, 0.0002233600000000, 0.0003692100000000 ] - [ 0.0001411500000000, -0.0000908900000000, 0.0002606600000000 ] - [ -0.0006594200000000, 0.0001688700000000, -0.0005263200000000 ] - [ -0.0033104400000000, -0.0010135100000000, 0.0002221600000000 ] - [ -0.0001188400000000, -0.0003265500000000, 0.0001412100000000 ] - [ 0.0001081100000000, 0.0003248700000000, -0.0005594600000000 ] - [ -0.0056241400000000, 0.0032393200000000, -0.0016790700000000 ] - [ -0.0005677700000000, 0.0001043900000000, -0.0006502800000000 ] - [ 0.0004675500000000, 0.0020053200000000, 0.0014834900000000 ] - [ 0.0004654700000000, -0.0021315500000000, 0.0010196200000000 ] - [ -0.0015409700000000, 0.0001740800000000, -0.0014074300000000 ] - [ -0.0000515600000000, -0.0000225500000000, -0.0004028200000000 ] - [ 0.0467641000000000, -0.0002733200000000, -0.0233559100000000 ] - [ 0.0001737200000000, -0.0000292100000000, 0.0000718200000000 ] - [ -0.0039844800000000, 0.0000586300000000, 0.0013836800000000 ] - [ -0.0001111200000000, 0.0000036800000000, -0.0000228400000000 ] - [ -0.0000221900000000, 0.0001882400000000, 0.0012921500000000 ] - [ 0.0000218700000000, 0.0002808900000000, 0.0002504100000000 ] - [ 0.0005963900000000, 0.0039034400000000, 0.0038891100000000 ] - [ 0.0000320800000000, -0.0000818800000000, 0.0000633300000000 ] - [ -0.0015083700000000, 0.0012901000000000, 0.0000619000000000 ] - [ -0.0017297600000000, -0.0017592100000000, -0.0002058600000000 ] - [ 0.0015965000000000, 0.0000007400000000, -0.0011615600000000 ] - [ 0.0019889200000000, -0.0001398200000000, -0.0010249900000000 ] - [ -0.0004971900000000, -0.0003252000000000, 0.0000722800000000 ] - [ -0.0000706000000000, 0.0002083100000000, 0.0000109200000000 ] - [ -0.0009700500000000, 0.0006910400000000, -0.0008705800000000 ] - [ -0.0002126000000000, -0.0001412700000000, 0.0000300300000000 ] - [ -0.0005026600000000, -0.0004598600000000, 0.0008819500000000 ] - [ -0.0000359200000000, 0.0000560800000000, 0.0000942700000000 ] - [ 0.0047138800000000, 0.0019928100000000, -0.0018014200000000 ] - [ 0.0001122500000000, 0.0001723300000000, 0.0000800400000000 ] - [ -0.0001148400000000, 0.0001116500000000, -0.0000747700000000 ] - [ -0.0000622000000000, 0.0000234500000000, -0.0000867700000000 ] - [ 0.0006033700000000, -0.0009078800000000, 0.0022669400000000 ] - [ -0.0000110400000000, 0.0003323000000000, -0.0000584300000000 ] - [ 0.0000298900000000, -0.0000320200000000, -0.0004405200000000 ] - [ -0.0000318800000000, 0.0000639000000000, -0.0002007400000000 ] - [ -0.0004812400000000, -0.0003699700000000, 0.0001880100000000 ] - [ -0.0000663800000000, -0.0000503000000000, -0.0000272000000000 ] - [ -0.0013003700000000, -0.0006140300000000, 0.0005039600000000 ] - [ -0.0001822300000000, -0.0000796200000000, 0.0000589200000000 ] - [ -0.0023695700000000, 0.0000194300000000, -0.0019773800000000 ] - [ -0.0000405600000000, 0.0000204400000000, -0.0000521200000000 ] - [ -0.0000565100000000, 0.0001302700000000, -0.0002454600000000 ] - [ 0.0000177800000000, 0.0001751600000000, 0.0000696000000000 ] - [ -0.0012500100000000, -0.0008806700000000, -0.0012182600000000 ] - [ -0.0001887900000000, 0.0002105200000000, 0.0000010900000000 ] - [ 0.0022499200000000, 0.0006932400000000, 0.0037522500000000 ] - [ 0.0000166000000000, -0.0001569700000000, -0.0000627000000000 ] - [ -0.0001468000000000, -0.0002552800000000, -0.0003638300000000 ] - [ 0.0000331800000000, 0.0000408800000000, -0.0001057500000000 ] - [ -0.0001767900000000, -0.0000796100000000, -0.0002919100000000 ] - [ -0.0001471700000000, -0.0001481100000000, -0.0002491600000000 ] - [ -0.0001294100000000, 0.0000537600000000, -0.0000756600000000 ] - [ -0.0003862000000000, 0.0001202800000000, 0.0000629500000000 ] - [ -0.0001997100000000, 0.0001027700000000, -0.0001663300000000 ] - [ -0.0000589700000000, 0.0001305900000000, 0.0000665900000000 ] - [ -0.0011008100000000, 0.0001940200000000, -0.0009965000000000 ] - [ -0.0000122800000000, -0.0001722600000000, 0.0000499600000000 ] - [ -0.0014444500000000, 0.0002871100000000, 0.0010058600000000 ] - [ -0.0000568000000000, 0.0000741000000000, -0.0000543400000000 ] - [ -0.0013914600000000, 0.0005322100000000, 0.0000356300000000 ] - [ -0.0000586500000000, -0.0000746300000000, -0.0000365700000000 ] - [ -0.0009780900000000, 0.0007999400000000, -0.0000217600000000 ] - [ -0.0001973500000000, 0.0000570500000000, -0.0000280700000000 ] - [ 0.0053436300000000, -0.0037421800000000, -0.0018855200000000 ] - [ 0.0000908200000000, -0.0001062200000000, 0.0000662000000000 ] - [ -0.0000750700000000, 0.0003328900000000, -0.0000816500000000 ] - [ -0.0000583200000000, 0.0000001300000000, 0.0000798100000000 ] - [ -0.0013677700000000, -0.0006408900000000, 0.0000704300000000 ] - [ -0.0001317800000000, 0.0000576300000000, 0.0002049400000000 ] - [ 0.0006177200000000, 0.0002285100000000, 0.0006124600000000 ] - [ 0.0000698900000000, -0.0000032900000000, 0.0000748600000000 ] - [ -0.0002645200000000, 0.0000805200000000, -0.0005612600000000 ] - [ -0.0000769900000000, 0.0002846000000000, -0.0002475700000000 ] - [ -0.0006614700000000, -0.0005307500000000, 0.0010667700000000 ] - [ 0.0000050200000000, -0.0000573300000000, -0.0000656200000000 ] - [ 0.0002854500000000, -0.0000387400000000, 0.0000238100000000 ] - [ 0.0002495300000000, 0.0000690600000000, 0.0002059500000000 ] - [ 0.0054024900000000, 0.0013196400000000, -0.0001657200000000 ] - [ 0.0001916000000000, 0.0000111900000000, 0.0000619900000000 ] - [ 0.0002606300000000, 0.0010531800000000, 0.0001784200000000 ] - [ 0.0002739000000000, -0.0011844900000000, 0.0001946500000000 ] - [ 0.0001865600000000, 0.0002530400000000, 0.0005905500000000 ] - [ 0.0000370300000000, 0.0001608800000000, 0.0001625600000000 ] - [ 0.0051356700000000, 0.0024295300000000, -0.0020274000000000 ] - [ 0.0001029900000000, 0.0002419500000000, 0.0000863600000000 ] - [ -0.0001202700000000, -0.0001035600000000, -0.0000613100000000 ] - [ -0.0001925100000000, -0.0002532900000000, -0.0000648100000000 ] - [ -0.0000681300000000, -0.0001689200000000, 0.0000824100000000 ] - [ 0.0001507600000000, 0.0004096700000000, 0.0001113900000000 ] - [ 0.0001008500000000, 0.0002506200000000, 0.0014598500000000 ] - [ 0.0000629900000000, 0.0000442700000000, 0.0000735800000000 ] - [ 0.0011763800000000, -0.0006703200000000, 0.0004271800000000 ] - [ 0.0000744000000000, 0.0000200300000000, 0.0000088000000000 ] - [ 0.0000992000000000, 0.0002008600000000, 0.0002259400000000 ] - [ 0.0002022000000000, 0.0000039400000000, 0.0001661300000000 ] - [ 0.0000889400000000, -0.0008467500000000, 0.0003837200000000 ] - [ 0.0003859800000000, 0.0006964700000000, 0.0002302700000000 ] - [ 0.0001069300000000, 0.0008209500000000, -0.0002004500000000 ] - [ 0.0002689100000000, -0.0001172100000000, -0.0004109500000000 ] - [ 0.0054867200000000, -0.0026769600000000, -0.0002576400000000 ] - [ 0.0001795300000000, -0.0001757100000000, -0.0001197100000000 ] - [ 0.0029468400000000, -0.0010829100000000, 0.0003890500000000 ] - [ 0.0000969700000000, -0.0000711200000000, -0.0000008500000000 ]- atom: 3 displacement: [ -0.0099999986220908, 0.0000000000000000, 0.0000052495887392 ] forces: - [ -0.0152516600000000, -0.0105744600000000, 0.0044446000000000 ] - [ -0.0001750400000000, 0.0004347300000000, 0.0001179300000000 ] - [ 0.0946653100000000, -0.0008378600000000, -0.0381225500000000 ] - [ 0.0003396600000000, 0.0000419700000000, 0.0000560000000000 ] - [ -0.0002209800000000, -0.0000607400000000, -0.0003503100000000 ] - [ -0.0002803400000000, 0.0000440300000000, 0.0000636400000000 ] - [ -0.0008355200000000, 0.0011982200000000, -0.0021052400000000 ] - [ 0.0001963400000000, -0.0000109500000000, -0.0002325200000000 ] - [ -0.0015222500000000, 0.0000151800000000, -0.0011816900000000 ] - [ -0.0000119600000000, 0.0001891900000000, -0.0000643000000000 ] - [ -0.0005143500000000, -0.0000608100000000, 0.0000298800000000 ] - [ -0.0004172600000000, 0.0000172300000000, -0.0004845600000000 ] - [ -0.0097029500000000, 0.0106655200000000, 0.0053423400000000 ] - [ -0.0002885900000000, -0.0001990200000000, 0.0000575200000000 ] - [ 0.0003068700000000, -0.0000821800000000, 0.0020878600000000 ] - [ 0.0001759900000000, 0.0002405800000000, 0.0003147700000000 ] - [ -0.0021278000000000, -0.0005271100000000, -0.0010385500000000 ] - [ -0.0001195700000000, -0.0001312900000000, -0.0002098700000000 ] - [ -0.0001120800000000, -0.0001148700000000, 0.0007650300000000 ] - [ -0.0001581700000000, -0.0000088900000000, 0.0000811100000000 ] - [ -0.0022477500000000, 0.0000443300000000, -0.0018456200000000 ] - [ -0.0001739800000000, 0.0002281200000000, -0.0001903800000000 ] - [ -0.0078745400000000, -0.0002196600000000, 0.0042316600000000 ] - [ -0.0000643600000000, 0.0000269500000000, 0.0000997900000000 ] - [ -0.0028863400000000, -0.0039456300000000, -0.0028679700000000 ] - [ -0.0001034900000000, 0.0007962800000000, 0.0000326100000000 ] - [ -0.0016124100000000, -0.0000841700000000, 0.0001955200000000 ] - [ -0.0016147900000000, -0.0000955400000000, 0.0001016000000000 ] - [ -0.0005027700000000, -0.0004300600000000, 0.0008690000000000 ] - [ -0.0001513900000000, -0.0001022500000000, 0.0000340900000000 ] - [ -0.0018050900000000, 0.0004406900000000, 0.0018132600000000 ] - [ -0.0002125800000000, -0.0000263200000000, -0.0000399100000000 ] - [ 0.0044992900000000, 0.0032293000000000, 0.0020325600000000 ] - [ 0.0006174000000000, 0.0001725000000000, 0.0004666100000000 ] - [ 0.0051477800000000, 0.0015967300000000, 0.0111722900000000 ] - [ 0.0003725700000000, -0.0001051900000000, -0.0000019800000000 ] - [ -0.0037284100000000, 0.0041453900000000, -0.0033241200000000 ] - [ -0.0001430400000000, -0.0003080800000000, -0.0003706200000000 ] - [ -0.0005481900000000, -0.0001525100000000, -0.0002719000000000 ] - [ -0.0001461600000000, 0.0001649200000000, -0.0001651200000000 ] - [ 0.0008126900000000, -0.0004544900000000, 0.0002386100000000 ] - [ 0.0034510600000000, 0.0007185200000000, -0.0005087700000000 ] - [ -0.0000262100000000, 0.0000413600000000, 0.0001441200000000 ] - [ -0.0002520400000000, -0.0006149500000000, 0.0008490200000000 ] - [ 0.0058076900000000, -0.0029573500000000, 0.0013973800000000 ] - [ 0.0007229300000000, 0.0001797200000000, 0.0003660300000000 ] - [ -0.0004647700000000, -0.0020897000000000, -0.0015890300000000 ] - [ -0.0004655300000000, 0.0020812200000000, -0.0011228200000000 ] - [ 0.0016084800000000, -0.0000456400000000, 0.0012367600000000 ] - [ 0.0001169400000000, 0.0001558900000000, 0.0002233400000000 ] - [ -0.0451417100000000, 0.0001354100000000, 0.0221250600000000 ] - [ -0.0002374100000000, -0.0001021200000000, 0.0001088700000000 ] - [ 0.0040616200000000, -0.0001903000000000, -0.0015828400000000 ] - [ 0.0001780200000000, -0.0001351200000000, -0.0001595600000000 ] - [ -0.0000519800000000, -0.0000375600000000, -0.0011047600000000 ] - [ -0.0000861100000000, -0.0001497600000000, -0.0000697500000000 ] - [ -0.0005305700000000, -0.0037638800000000, -0.0040522400000000 ] - [ 0.0000334700000000, 0.0002149800000000, -0.0002450600000000 ] - [ 0.0014513200000000, -0.0014287000000000, 0.0001202300000000 ] - [ 0.0016724900000000, 0.0016365000000000, 0.0003882300000000 ] - [ -0.0015387400000000, -0.0001296400000000, 0.0009834500000000 ] - [ -0.0019359900000000, 0.0000075800000000, 0.0008509600000000 ] - [ 0.0004364400000000, 0.0004607900000000, 0.0001041500000000 ] - [ 0.0000089900000000, -0.0000764900000000, 0.0001697100000000 ] - [ 0.0009735000000000, -0.0006724100000000, 0.0008676000000000 ] - [ 0.0002164400000000, 0.0001558200000000, -0.0000298100000000 ] - [ 0.0004461600000000, 0.0005189200000000, -0.0006966600000000 ] - [ -0.0000159700000000, 0.0000054900000000, 0.0000860400000000 ] - [ -0.0047413700000000, -0.0019498900000000, 0.0020034900000000 ] - [ -0.0001647700000000, -0.0002347900000000, 0.0001002200000000 ] - [ 0.0001213300000000, -0.0001280800000000, 0.0000825800000000 ] - [ 0.0000647300000000, -0.0000423200000000, 0.0000886800000000 ] - [ -0.0006357500000000, 0.0012515200000000, -0.0024122500000000 ] - [ -0.0000179600000000, 0.0000154000000000, -0.0000958200000000 ] - [ -0.0000178700000000, -0.0001555100000000, 0.0002844400000000 ] - [ 0.0000410300000000, -0.0002551600000000, 0.0000474200000000 ] - [ 0.0004853200000000, 0.0002222300000000, -0.0001859600000000 ] - [ 0.0000685800000000, -0.0000960800000000, 0.0000262800000000 ] - [ 0.0012961100000000, 0.0004241900000000, -0.0003469100000000 ] - [ 0.0001781800000000, -0.0001087100000000, 0.0000966300000000 ] - [ 0.0023392600000000, -0.0000032300000000, 0.0019696700000000 ] - [ 0.0000429500000000, -0.0000011800000000, 0.0000520100000000 ] - [ 0.0000890400000000, 0.0002160700000000, 0.0003952900000000 ] - [ 0.0000147500000000, 0.0001723200000000, 0.0000840300000000 ] - [ 0.0012531600000000, 0.0010211500000000, 0.0012172500000000 ] - [ 0.0001925000000000, -0.0000641300000000, -0.0000010600000000 ] - [ -0.0022837600000000, -0.0010189900000000, -0.0038489700000000 ] - [ -0.0000451800000000, -0.0001900300000000, -0.0000903000000000 ] - [ 0.0002033200000000, 0.0003165100000000, 0.0001829600000000 ] - [ 0.0000225900000000, 0.0000210400000000, -0.0000749200000000 ] - [ 0.0001815300000000, 0.0000810800000000, 0.0002939900000000 ] - [ 0.0001516800000000, 0.0001517700000000, 0.0002517300000000 ] - [ 0.0001324900000000, -0.0000652300000000, 0.0000766300000000 ] - [ 0.0003888600000000, -0.0001330300000000, -0.0000617600000000 ] - [ 0.0002005700000000, 0.0000863100000000, 0.0003185600000000 ] - [ 0.0000550400000000, 0.0000591100000000, 0.0000883600000000 ] - [ 0.0011421900000000, -0.0005471100000000, 0.0011600100000000 ] - [ 0.0000447800000000, -0.0001747700000000, 0.0001029600000000 ] - [ 0.0014574800000000, -0.0000963500000000, -0.0011575300000000 ] - [ 0.0000653800000000, 0.0001160100000000, -0.0001010200000000 ] - [ 0.0014482800000000, -0.0005967000000000, -0.0002158700000000 ] - [ 0.0001142000000000, 0.0000138300000000, -0.0001445600000000 ] - [ 0.0009792500000000, -0.0007997400000000, 0.0000240300000000 ] - [ 0.0002011700000000, -0.0000569400000000, 0.0000277800000000 ] - [ -0.0056084900000000, 0.0039629500000000, 0.0020107400000000 ] - [ -0.0000893700000000, 0.0001202600000000, -0.0000668900000000 ] - [ 0.0000223700000000, -0.0002703200000000, 0.0002621300000000 ] - [ 0.0000053300000000, 0.0000618500000000, 0.0001006500000000 ] - [ 0.0013172300000000, 0.0005842700000000, 0.0001102800000000 ] - [ 0.0000796700000000, -0.0001190500000000, -0.0000245800000000 ] - [ -0.0006168100000000, -0.0002454700000000, -0.0006162300000000 ] - [ -0.0000685500000000, -0.0000149500000000, -0.0000745800000000 ] - [ 0.0002351300000000, 0.0002685600000000, 0.0004090600000000 ] - [ 0.0000468700000000, 0.0000629400000000, 0.0000948900000000 ] - [ 0.0006704000000000, 0.0003449200000000, -0.0012277400000000 ] - [ 0.0000021200000000, -0.0001317400000000, -0.0000902500000000 ] - [ -0.0002850300000000, -0.0001064900000000, -0.0000246700000000 ] - [ -0.0002478000000000, -0.0002152500000000, -0.0002070400000000 ] - [ -0.0053917300000000, -0.0015011600000000, 0.0003250200000000 ] - [ -0.0001963500000000, -0.0002003300000000, 0.0000938600000000 ] - [ -0.0002601600000000, -0.0010404400000000, -0.0001820600000000 ] - [ -0.0002719700000000, 0.0012099000000000, -0.0001970600000000 ] - [ -0.0001536500000000, 0.0000912100000000, -0.0004352700000000 ] - [ -0.0000031400000000, 0.0001881200000000, -0.0000092600000000 ] - [ -0.0053778400000000, -0.0024730700000000, 0.0021454000000000 ] - [ -0.0001024800000000, -0.0000954400000000, -0.0000861200000000 ] - [ 0.0000899800000000, -0.0002440300000000, -0.0000927100000000 ] - [ 0.0001624800000000, -0.0000935200000000, -0.0000888700000000 ] - [ 0.0001239100000000, 0.0002314900000000, -0.0002632100000000 ] - [ -0.0000947300000000, -0.0003487700000000, -0.0002909100000000 ] - [ -0.0001029600000000, -0.0002529500000000, -0.0014684300000000 ] - [ -0.0000618200000000, -0.0000445000000000, -0.0000737200000000 ] - [ -0.0011748900000000, 0.0006558400000000, -0.0004252100000000 ] - [ -0.0000732400000000, -0.0000333600000000, -0.0000092700000000 ] - [ -0.0001056700000000, -0.0000095200000000, -0.0000698300000000 ] - [ -0.0002065400000000, 0.0001864700000000, -0.0000107000000000 ] - [ -0.0000549800000000, 0.0005037100000000, -0.0002339900000000 ] - [ -0.0003501000000000, -0.0010424100000000, -0.0000795200000000 ] - [ -0.0001001200000000, -0.0006314600000000, 0.0000463600000000 ] - [ -0.0002632400000000, 0.0003054900000000, 0.0002558000000000 ] - [ -0.0053928500000000, 0.0024881400000000, 0.0001290500000000 ] - [ -0.0001240400000000, 0.0001164900000000, -0.0000612500000000 ] - [ -0.0029684000000000, 0.0011311100000000, -0.0004535400000000 ] - [ -0.0000962700000000, 0.0000717000000000, 0.0000008300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0084283500000000, -0.0016691300000000, -0.0049351100000000 ] - [ 0.0000153200000000, 0.0014428400000000, 0.0003320500000000 ] - [ 0.0007864900000000, -0.0617693500000000, -0.0024892500000000 ] - [ -0.0000862100000000, 0.0013087700000000, 0.0001122800000000 ] - [ -0.0000300600000000, -0.0000088400000000, 0.0010190900000000 ] - [ -0.0004514800000000, 0.0002036100000000, -0.0011650000000000 ] - [ -0.0011512900000000, 0.0011462600000000, -0.0023585300000000 ] - [ 0.0000567300000000, 0.0009344000000000, 0.0004380800000000 ] - [ -0.0002150200000000, -0.0011548500000000, -0.0004780300000000 ] - [ 0.0004218000000000, 0.0011525900000000, 0.0001217000000000 ] - [ -0.0001089700000000, 0.0000976700000000, -0.0001206700000000 ] - [ 0.0004079200000000, 0.0001026900000000, 0.0004632000000000 ] - [ -0.0077576400000000, 0.0001361200000000, 0.0044778600000000 ] - [ -0.0001464000000000, 0.0016804000000000, -0.0001751700000000 ] - [ -0.0001326600000000, -0.0003089600000000, 0.0004893200000000 ] - [ 0.0001928400000000, 0.0008066200000000, -0.0002327400000000 ] - [ -0.0007212500000000, -0.0015725900000000, -0.0002586200000000 ] - [ 0.0002598600000000, 0.0008155100000000, -0.0001016600000000 ] - [ 0.0002462600000000, -0.0012437100000000, 0.0010727900000000 ] - [ -0.0002941600000000, 0.0010303900000000, -0.0000019800000000 ] - [ 0.0005091700000000, -0.0013734000000000, 0.0001624700000000 ] - [ -0.0002514200000000, 0.0011324700000000, -0.0002809700000000 ] - [ -0.0001876700000000, -0.0035415000000000, 0.0001487200000000 ] - [ 0.0000682300000000, 0.0009621500000000, -0.0000887200000000 ] - [ 0.0037885400000000, 0.0026273600000000, 0.0007693000000000 ] - [ -0.0003087300000000, 0.0012936100000000, -0.0000137600000000 ] - [ 0.0000503300000000, 0.0002688500000000, -0.0000333200000000 ] - [ 0.0000401400000000, 0.0002717500000000, -0.0000350400000000 ] - [ -0.0002569500000000, -0.0019675200000000, -0.0000503700000000 ] - [ -0.0000945800000000, 0.0007586000000000, 0.0000308600000000 ] - [ -0.0003992300000000, -0.0008318300000000, -0.0000091000000000 ] - [ 0.0000683800000000, 0.0008050100000000, -0.0000471800000000 ] - [ -0.0012439900000000, 0.0014363100000000, 0.0053845000000000 ] - [ 0.0006374300000000, 0.0018901700000000, -0.0002564400000000 ] - [ -0.0003206200000000, -0.0054137100000000, 0.0018551000000000 ] - [ 0.0000473000000000, 0.0009419800000000, -0.0000652500000000 ] - [ -0.0031280000000000, 0.0020814300000000, -0.0010723500000000 ] - [ -0.0000018400000000, 0.0014761300000000, 0.0001179700000000 ] - [ -0.0002008700000000, -0.0011170000000000, -0.0000322700000000 ] - [ 0.0001170500000000, 0.0009344100000000, 0.0001054700000000 ] - [ 0.0001620200000000, 0.0008312300000000, -0.0008880500000000 ] - [ -0.0026694000000000, 0.0013060800000000, 0.0025446600000000 ] - [ -0.0003022000000000, 0.0004575800000000, 0.0000992800000000 ] - [ 0.0005607500000000, -0.0002856400000000, 0.0003435700000000 ] - [ 0.0026031200000000, 0.0021934000000000, -0.0042390800000000 ] - [ -0.0006037800000000, 0.0017734000000000, 0.0000113500000000 ] - [ 0.0021215200000000, 0.0045172000000000, 0.0022279600000000 ] - [ -0.0020363700000000, 0.0045005400000000, -0.0011840600000000 ] - [ 0.0016808400000000, 0.0004022600000000, 0.0005959800000000 ] - [ -0.0002370000000000, -0.0007943000000000, -0.0004793000000000 ] - [ 0.0005693200000000, 0.0170941000000000, 0.0014066600000000 ] - [ -0.0000644200000000, -0.0013518900000000, -0.0000356700000000 ] - [ -0.0000692200000000, 0.0012920000000000, -0.0003268900000000 ] - [ 0.0001079400000000, -0.0010553700000000, 0.0000225200000000 ] - [ -0.0002868400000000, 0.0008346400000000, -0.0014082200000000 ] - [ -0.0000147900000000, -0.0010794600000000, 0.0006991300000000 ] - [ 0.0015762100000000, 0.0022232400000000, -0.0006944500000000 ] - [ -0.0001416000000000, -0.0011301000000000, 0.0001367900000000 ] - [ 0.0006096000000000, -0.0010057400000000, 0.0002302500000000 ] - [ -0.0012710700000000, -0.0015508200000000, -0.0002679500000000 ] - [ 0.0008740000000000, -0.0021108200000000, -0.0021265600000000 ] - [ -0.0003094200000000, -0.0028280900000000, 0.0019527400000000 ] - [ -0.0002066800000000, 0.0011385800000000, 0.0000815500000000 ] - [ -0.0000494800000000, -0.0007785300000000, 0.0001559700000000 ] - [ 0.0009822900000000, 0.0000954700000000, -0.0001256200000000 ] - [ -0.0002872700000000, -0.0003769600000000, 0.0000614900000000 ] - [ -0.0000326200000000, 0.0007569400000000, -0.0003432500000000 ] - [ 0.0000119100000000, -0.0004638000000000, 0.0002946000000000 ] - [ 0.0035113200000000, 0.0095955400000000, 0.0007576000000000 ] - [ -0.0001178900000000, -0.0007646900000000, -0.0002536900000000 ] - [ -0.0000480200000000, 0.0002093800000000, -0.0001627200000000 ] - [ 0.0000393600000000, -0.0002720600000000, 0.0000830100000000 ] - [ -0.0001351000000000, 0.0008274700000000, -0.0002116100000000 ] - [ -0.0000156500000000, -0.0002331900000000, -0.0000157500000000 ] - [ -0.0003502300000000, 0.0001359500000000, -0.0007255700000000 ] - [ 0.0002741500000000, -0.0006780800000000, 0.0002266900000000 ] - [ 0.0000695800000000, 0.0004961500000000, -0.0000207000000000 ] - [ -0.0000038500000000, -0.0004700800000000, 0.0000164200000000 ] - [ 0.0003265800000000, 0.0002289700000000, 0.0000087100000000 ] - [ -0.0001367800000000, -0.0003783100000000, 0.0000164300000000 ] - [ -0.0000732300000000, 0.0008303600000000, 0.0000317800000000 ] - [ -0.0000043400000000, -0.0003655000000000, -0.0000089500000000 ] - [ 0.0000120300000000, 0.0004705500000000, 0.0003344800000000 ] - [ 0.0000227300000000, -0.0000875000000000, -0.0000432000000000 ] - [ -0.0011956800000000, 0.0003449100000000, 0.0000560200000000 ] - [ 0.0002391200000000, -0.0004177900000000, -0.0000385800000000 ] - [ 0.0000364800000000, 0.0019568000000000, -0.0002384500000000 ] - [ -0.0000139700000000, -0.0006854200000000, -0.0002374300000000 ] - [ 0.0002250900000000, 0.0007948100000000, 0.0003573200000000 ] - [ -0.0000275200000000, -0.0004140700000000, -0.0002799500000000 ] - [ 0.0005516600000000, 0.0002990100000000, 0.0006548000000000 ] - [ -0.0005076200000000, -0.0005410600000000, -0.0005000400000000 ] - [ -0.0000444300000000, -0.0002324100000000, -0.0000636100000000 ] - [ 0.0000980900000000, 0.0001450200000000, 0.0000673300000000 ] - [ -0.0001842000000000, 0.0006954400000000, 0.0000657400000000 ] - [ 0.0001418100000000, -0.0003335400000000, 0.0001165400000000 ] - [ 0.0002982400000000, 0.0006697200000000, -0.0000637700000000 ] - [ 0.0000097300000000, -0.0005603600000000, 0.0002128300000000 ] - [ 0.0001875100000000, 0.0009043200000000, 0.0000188900000000 ] - [ -0.0001527700000000, -0.0003103600000000, -0.0000978600000000 ] - [ 0.0003525900000000, 0.0001868200000000, -0.0003596600000000 ] - [ 0.0000276300000000, -0.0004053400000000, 0.0001267800000000 ] - [ -0.0002101500000000, 0.0002502000000000, -0.0000534400000000 ] - [ 0.0001447000000000, -0.0002183000000000, 0.0001112800000000 ] - [ -0.0067232900000000, 0.0076501600000000, 0.0028504200000000 ] - [ -0.0000552100000000, -0.0004572500000000, -0.0000625400000000 ] - [ 0.0000274600000000, -0.0003515100000000, 0.0003215000000000 ] - [ -0.0000304100000000, 0.0000489700000000, 0.0000144600000000 ] - [ -0.0004436700000000, 0.0003084100000000, 0.0003120800000000 ] - [ -0.0000369600000000, -0.0004293000000000, -0.0001056300000000 ] - [ -0.0001337700000000, 0.0002487000000000, -0.0010390800000000 ] - [ 0.0000442900000000, -0.0003117900000000, 0.0000782300000000 ] - [ -0.0004539000000000, 0.0004525600000000, -0.0006095500000000 ] - [ 0.0000396600000000, -0.0001571600000000, 0.0001514500000000 ] - [ -0.0006381400000000, 0.0003537800000000, 0.0003494800000000 ] - [ 0.0002084500000000, -0.0004878600000000, -0.0000804400000000 ] - [ -0.0000268500000000, -0.0002152900000000, 0.0000914500000000 ] - [ -0.0001087500000000, -0.0002455200000000, -0.0001526300000000 ] - [ 0.0013473600000000, 0.0032637100000000, 0.0018012700000000 ] - [ -0.0001352700000000, -0.0005827400000000, 0.0000490800000000 ] - [ 0.0002996500000000, -0.0006383100000000, 0.0000174500000000 ] - [ -0.0003492800000000, -0.0006527100000000, -0.0000179600000000 ] - [ 0.0002129900000000, 0.0007361800000000, 0.0007143800000000 ] - [ -0.0000344200000000, -0.0002251200000000, -0.0003006300000000 ] - [ 0.0060115500000000, 0.0071850400000000, -0.0023430100000000 ] - [ 0.0000685200000000, -0.0004866900000000, 0.0000856400000000 ] - [ -0.0000430200000000, -0.0003621600000000, -0.0002348000000000 ] - [ 0.0000002600000000, -0.0001448900000000, 0.0000518800000000 ] - [ 0.0000458300000000, -0.0001038500000000, -0.0002305600000000 ] - [ 0.0002578200000000, -0.0001185100000000, -0.0003146900000000 ] - [ 0.0005309000000000, 0.0005315700000000, -0.0004153100000000 ] - [ -0.0003374700000000, -0.0004209700000000, -0.0000651200000000 ] - [ -0.0002749400000000, 0.0003902800000000, 0.0004400200000000 ] - [ -0.0000173600000000, -0.0003136100000000, 0.0000079100000000 ] - [ 0.0003165300000000, -0.0001044500000000, -0.0002098500000000 ] - [ -0.0003827800000000, -0.0003337300000000, 0.0005011100000000 ] - [ -0.0001075900000000, -0.0013554100000000, 0.0009958400000000 ] - [ 0.0005295000000000, -0.0008884200000000, -0.0007278500000000 ] - [ 0.0001251000000000, -0.0004213800000000, 0.0000670800000000 ] - [ -0.0003638400000000, -0.0008717000000000, -0.0003592400000000 ] - [ -0.0046844700000000, 0.0063673400000000, -0.0022324200000000 ] - [ 0.0001650200000000, -0.0007980800000000, 0.0002150900000000 ] - [ -0.0004420600000000, 0.0023792800000000, -0.0011281800000000 ] - [ 0.0003151600000000, -0.0004818000000000, 0.0000813600000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0085085700000000, 0.0019001900000000, 0.0051777000000000 ] - [ -0.0001584000000000, -0.0011437100000000, -0.0000431200000000 ] - [ -0.0007085700000000, 0.0613698100000000, 0.0023028300000000 ] - [ 0.0000748000000000, -0.0013777600000000, -0.0000068400000000 ] - [ -0.0003625700000000, -0.0003501400000000, -0.0010183500000000 ] - [ 0.0000589700000000, -0.0005576700000000, 0.0011686600000000 ] - [ 0.0011698500000000, -0.0010789600000000, 0.0022568100000000 ] - [ -0.0000400100000000, -0.0008580700000000, -0.0005450700000000 ] - [ 0.0006089600000000, 0.0015179200000000, 0.0004804800000000 ] - [ -0.0000279900000000, -0.0007926000000000, -0.0001153700000000 ] - [ 0.0005030000000000, -0.0004597000000000, 0.0001282200000000 ] - [ -0.0000165100000000, -0.0004536100000000, -0.0004590400000000 ] - [ 0.0074289100000000, 0.0002613600000000, -0.0045214000000000 ] - [ -0.0002456900000000, -0.0013198600000000, 0.0001703600000000 ] - [ 0.0001163500000000, 0.0003765200000000, -0.0003737700000000 ] - [ -0.0002099500000000, -0.0007308100000000, 0.0003438700000000 ] - [ 0.0008593500000000, 0.0012785900000000, -0.0000306000000000 ] - [ -0.0001167000000000, -0.0011102100000000, -0.0001874400000000 ] - [ -0.0003949900000000, 0.0009374700000000, -0.0007869800000000 ] - [ 0.0001507300000000, -0.0013247500000000, 0.0002918300000000 ] - [ -0.0003664600000000, 0.0016712800000000, -0.0004578200000000 ] - [ 0.0003960900000000, -0.0008335500000000, -0.0000078100000000 ] - [ 0.0001830600000000, 0.0034736600000000, -0.0002479500000000 ] - [ -0.0000558100000000, -0.0010296200000000, -0.0000185800000000 ] - [ -0.0039389500000000, -0.0023343500000000, -0.0004806300000000 ] - [ 0.0001627400000000, -0.0009944600000000, 0.0002991800000000 ] - [ -0.0000633100000000, -0.0003412100000000, 0.0001373300000000 ] - [ -0.0000542600000000, -0.0003374200000000, 0.0001427100000000 ] - [ -0.0001355800000000, 0.0016137300000000, 0.0000504700000000 ] - [ -0.0002997900000000, -0.0011127200000000, -0.0000336000000000 ] - [ 0.0004069900000000, 0.0009110900000000, -0.0000885100000000 ] - [ -0.0000554700000000, -0.0007332300000000, -0.0000573500000000 ] - [ 0.0016225100000000, -0.0010729400000000, -0.0053422800000000 ] - [ -0.0002449200000000, -0.0015345300000000, 0.0002617800000000 ] - [ 0.0007161200000000, 0.0050853200000000, -0.0017886500000000 ] - [ 0.0003457800000000, -0.0012973500000000, 0.0000706600000000 ] - [ 0.0027281400000000, -0.0017229400000000, 0.0010606700000000 ] - [ -0.0003921300000000, -0.0011170700000000, -0.0001250000000000 ] - [ 0.0001855100000000, 0.0011925600000000, 0.0001416500000000 ] - [ -0.0001309900000000, -0.0008621000000000, 0.0000010900000000 ] - [ -0.0000197100000000, -0.0011255900000000, 0.0005939800000000 ] - [ 0.0028121700000000, -0.0015993100000000, -0.0028463400000000 ] - [ 0.0001579700000000, -0.0007543700000000, 0.0001898900000000 ] - [ -0.0007035200000000, -0.0000071500000000, -0.0000498800000000 ] - [ -0.0024826500000000, -0.0019032600000000, 0.0039709400000000 ] - [ 0.0007449400000000, -0.0014713300000000, -0.0002992400000000 ] - [ -0.0020900200000000, -0.0045662700000000, -0.0023328000000000 ] - [ 0.0020633500000000, -0.0045820900000000, 0.0010783500000000 ] - [ -0.0016211800000000, -0.0002644000000000, -0.0007706700000000 ] - [ 0.0002998000000000, 0.0009282000000000, 0.0003005900000000 ] - [ -0.0007288500000000, -0.0172111500000000, -0.0011763700000000 ] - [ 0.0000018100000000, 0.0012204700000000, 0.0002151900000000 ] - [ 0.0001423100000000, -0.0014241900000000, 0.0001429200000000 ] - [ -0.0000447900000000, 0.0009246900000000, -0.0002021100000000 ] - [ 0.0002209600000000, -0.0006903000000000, 0.0015779900000000 ] - [ -0.0000480900000000, 0.0012164200000000, -0.0005234500000000 ] - [ -0.0015159200000000, -0.0021119600000000, 0.0005076600000000 ] - [ 0.0002030400000000, 0.0012652400000000, -0.0003136800000000 ] - [ -0.0006694000000000, 0.0008770600000000, -0.0000487300000000 ] - [ 0.0012121700000000, 0.0014221500000000, 0.0004487200000000 ] - [ -0.0008135400000000, 0.0019692000000000, 0.0019368800000000 ] - [ 0.0003675900000000, 0.0027064200000000, -0.0021381900000000 ] - [ 0.0001440400000000, -0.0010045900000000, 0.0000960400000000 ] - [ -0.0000123300000000, 0.0009146500000000, 0.0000225900000000 ] - [ -0.0009875500000000, -0.0000791800000000, 0.0001287700000000 ] - [ 0.0002864100000000, 0.0003933700000000, -0.0000617200000000 ] - [ -0.0000179100000000, -0.0006935700000000, 0.0005201100000000 ] - [ -0.0000655600000000, 0.0005265600000000, -0.0001146200000000 ] - [ -0.0033078700000000, -0.0090337800000000, -0.0003889700000000 ] - [ 0.0000639500000000, 0.0007063600000000, 0.0004334800000000 ] - [ 0.0000484900000000, -0.0002248500000000, 0.0001635500000000 ] - [ -0.0000399300000000, 0.0002542800000000, -0.0000830100000000 ] - [ 0.0001006700000000, -0.0004711200000000, 0.0000499200000000 ] - [ -0.0000174100000000, 0.0005838000000000, -0.0001384600000000 ] - [ 0.0003571300000000, -0.0003239000000000, 0.0005631500000000 ] - [ -0.0002661300000000, 0.0004886200000000, -0.0003823000000000 ] - [ -0.0000682800000000, -0.0006413800000000, 0.0000187500000000 ] - [ 0.0000040900000000, 0.0003249900000000, -0.0000176700000000 ] - [ -0.0003290000000000, -0.0004131400000000, 0.0001468300000000 ] - [ 0.0001285600000000, 0.0001879900000000, 0.0001401300000000 ] - [ 0.0000812700000000, -0.0008079300000000, -0.0000242200000000 ] - [ 0.0000043300000000, 0.0003862500000000, 0.0000082800000000 ] - [ 0.0000198800000000, -0.0001202700000000, -0.0001813600000000 ] - [ 0.0000098900000000, 0.0004365900000000, 0.0001978300000000 ] - [ 0.0011839900000000, -0.0001946700000000, -0.0000542300000000 ] - [ -0.0002395900000000, 0.0005663200000000, 0.0000398000000000 ] - [ -0.0000727900000000, -0.0022989200000000, 0.0000714600000000 ] - [ -0.0000192300000000, 0.0003391800000000, 0.0000831100000000 ] - [ -0.0001717200000000, -0.0007331000000000, -0.0005376900000000 ] - [ 0.0000808500000000, 0.0004765300000000, 0.0000993900000000 ] - [ -0.0005535100000000, -0.0002968300000000, -0.0006563900000000 ] - [ 0.0005079200000000, 0.0005434300000000, 0.0005000300000000 ] - [ 0.0000445600000000, 0.0002205900000000, 0.0000632800000000 ] - [ -0.0000982500000000, -0.0001582700000000, -0.0000688300000000 ] - [ 0.0001768300000000, -0.0005026600000000, 0.0000906900000000 ] - [ -0.0001498400000000, 0.0005262000000000, 0.0000397700000000 ] - [ -0.0002618000000000, -0.0010154100000000, 0.0002228800000000 ] - [ 0.0000229400000000, 0.0002146100000000, -0.0000578300000000 ] - [ -0.0001739500000000, -0.0007111900000000, -0.0001772000000000 ] - [ 0.0001600500000000, 0.0005025000000000, -0.0000583600000000 ] - [ -0.0003024100000000, -0.0002447800000000, 0.0001797000000000 ] - [ 0.0000258100000000, 0.0003463900000000, -0.0003062200000000 ] - [ 0.0002144800000000, -0.0002529000000000, 0.0000534100000000 ] - [ -0.0001460300000000, 0.0002212300000000, -0.0001108100000000 ] - [ 0.0065334000000000, -0.0075467000000000, -0.0027751200000000 ] - [ 0.0000551400000000, 0.0004747600000000, 0.0000633700000000 ] - [ -0.0000814900000000, 0.0004176500000000, -0.0001428200000000 ] - [ -0.0000227300000000, 0.0000134400000000, 0.0001647400000000 ] - [ 0.0003883500000000, -0.0003668400000000, -0.0001325300000000 ] - [ -0.0000169600000000, 0.0003702600000000, 0.0002859500000000 ] - [ 0.0001309100000000, -0.0002674700000000, 0.0010388800000000 ] - [ -0.0000445500000000, 0.0002944100000000, -0.0000768500000000 ] - [ 0.0004211200000000, -0.0001028500000000, 0.0004554700000000 ] - [ -0.0000726800000000, 0.0005074800000000, -0.0003064100000000 ] - [ 0.0006476600000000, -0.0005425400000000, -0.0005073400000000 ] - [ -0.0002005600000000, 0.0002989700000000, -0.0000763000000000 ] - [ 0.0000266600000000, 0.0000727500000000, -0.0000924600000000 ] - [ 0.0001084000000000, 0.0000992400000000, 0.0001507300000000 ] - [ -0.0014390300000000, -0.0036749900000000, -0.0018685400000000 ] - [ 0.0001274600000000, 0.0003928900000000, 0.0001076500000000 ] - [ -0.0002966300000000, 0.0006557400000000, -0.0000183700000000 ] - [ 0.0003527100000000, 0.0006763700000000, 0.0000178700000000 ] - [ -0.0001809100000000, -0.0003878900000000, -0.0005642700000000 ] - [ 0.0000675900000000, 0.0005743000000000, 0.0004537200000000 ] - [ -0.0061978500000000, -0.0071396800000000, 0.0024153600000000 ] - [ -0.0000684600000000, 0.0006343400000000, -0.0000841400000000 ] - [ 0.0000088300000000, 0.0000164200000000, 0.0000792600000000 ] - [ -0.0000339200000000, -0.0002014800000000, -0.0002071500000000 ] - [ 0.0000084200000000, 0.0001693300000000, 0.0000506800000000 ] - [ -0.0002043300000000, 0.0001795900000000, 0.0001328900000000 ] - [ -0.0005310400000000, -0.0005304500000000, 0.0004111700000000 ] - [ 0.0003371200000000, 0.0004234500000000, 0.0000655200000000 ] - [ 0.0002716700000000, -0.0004009700000000, -0.0004428900000000 ] - [ 0.0000170900000000, 0.0003019000000000, -0.0000082500000000 ] - [ -0.0003242900000000, 0.0002986400000000, 0.0003644300000000 ] - [ 0.0003765600000000, 0.0005291200000000, -0.0003464100000000 ] - [ 0.0001391300000000, 0.0010025400000000, -0.0008358000000000 ] - [ -0.0005008300000000, 0.0005460500000000, 0.0008930900000000 ] - [ -0.0001162200000000, 0.0006166400000000, -0.0002214100000000 ] - [ 0.0003700900000000, 0.0010620400000000, 0.0002039900000000 ] - [ 0.0049613400000000, -0.0068440700000000, 0.0022914000000000 ] - [ -0.0001111200000000, 0.0007380700000000, -0.0003951400000000 ] - [ 0.0003646900000000, -0.0023083600000000, 0.0010125700000000 ] - [ -0.0003144300000000, 0.0004832300000000, -0.0000813800000000 ]- atom: 3 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ -0.0102112000000000, -0.0090908500000000, -0.0013314300000000 ] - [ -0.0000100600000000, 0.0003990000000000, -0.0000646500000000 ] - [ 0.0638700500000000, -0.0025555700000000, -0.0805933300000000 ] - [ 0.0000845100000000, 0.0000409500000000, -0.0003100300000000 ] - [ 0.0002901900000000, 0.0008170300000000, 0.0005713400000000 ] - [ -0.0000850700000000, -0.0004998600000000, 0.0012117100000000 ] - [ 0.0017417200000000, -0.0018370100000000, 0.0027033600000000 ] - [ 0.0002416900000000, 0.0004969700000000, 0.0002771100000000 ] - [ -0.0003742800000000, -0.0000690100000000, -0.0007520100000000 ] - [ 0.0002711600000000, 0.0002886600000000, -0.0000813900000000 ] - [ 0.0004017000000000, -0.0008658400000000, 0.0006196300000000 ] - [ -0.0000162000000000, 0.0003810000000000, -0.0000261700000000 ] - [ -0.0075200600000000, 0.0089627500000000, -0.0004403900000000 ] - [ -0.0001196000000000, 0.0001254000000000, -0.0001731000000000 ] - [ -0.0018782300000000, -0.0004053500000000, 0.0037490100000000 ] - [ -0.0002066400000000, 0.0003754300000000, 0.0007389600000000 ] - [ -0.0001721700000000, -0.0000455800000000, 0.0000743600000000 ] - [ 0.0001458700000000, -0.0000001100000000, -0.0000439200000000 ] - [ 0.0020221000000000, 0.0021629800000000, 0.0068807200000000 ] - [ -0.0000335700000000, -0.0001762400000000, 0.0003238000000000 ] - [ -0.0006017800000000, 0.0000829700000000, -0.0012454300000000 ] - [ 0.0001418500000000, 0.0001532800000000, -0.0001659100000000 ] - [ -0.0063491400000000, -0.0002807600000000, 0.0024607700000000 ] - [ -0.0001529400000000, 0.0000143800000000, -0.0001262300000000 ] - [ 0.0003852800000000, -0.0010809400000000, -0.0038299900000000 ] - [ -0.0001684600000000, 0.0000497900000000, -0.0007109700000000 ] - [ -0.0005257800000000, -0.0001376000000000, -0.0005873800000000 ] - [ -0.0006175700000000, -0.0001351300000000, -0.0006173400000000 ] - [ -0.0002682200000000, -0.0003132100000000, 0.0020753200000000 ] - [ -0.0002351000000000, -0.0000861700000000, 0.0001968200000000 ] - [ -0.0022971600000000, 0.0001961500000000, 0.0029157100000000 ] - [ -0.0000574400000000, 0.0000261700000000, 0.0002382200000000 ] - [ 0.0010349900000000, 0.0071594900000000, 0.0025405200000000 ] - [ 0.0000341200000000, -0.0005076400000000, 0.0002337400000000 ] - [ -0.0055695500000000, 0.0028939900000000, 0.0211881700000000 ] - [ 0.0001292800000000, -0.0000553400000000, 0.0000159200000000 ] - [ -0.0000414000000000, 0.0001777200000000, -0.0051422800000000 ] - [ -0.0000629900000000, 0.0002867900000000, -0.0008393300000000 ] - [ 0.0001416100000000, 0.0000689800000000, 0.0009548800000000 ] - [ 0.0001525200000000, 0.0000263700000000, 0.0003356600000000 ] - [ -0.0002601100000000, -0.0008672100000000, -0.0000932500000000 ] - [ -0.0002049500000000, 0.0033852800000000, 0.0014721600000000 ] - [ -0.0002971600000000, -0.0001513800000000, 0.0004938300000000 ] - [ -0.0000547700000000, -0.0002905200000000, 0.0014644600000000 ] - [ 0.0011658800000000, -0.0045288000000000, 0.0025464900000000 ] - [ -0.0001329000000000, 0.0008911000000000, -0.0000562500000000 ] - [ 0.0009036600000000, 0.0004456200000000, -0.0005642300000000 ] - [ 0.0013452700000000, -0.0016004400000000, -0.0004207200000000 ] - [ -0.0015046300000000, 0.0007823900000000, 0.0007615100000000 ] - [ -0.0001734000000000, -0.0002474500000000, 0.0000404800000000 ] - [ -0.0351749300000000, 0.0015527800000000, 0.0348302400000000 ] - [ -0.0001470800000000, -0.0001345900000000, 0.0002925700000000 ] - [ 0.0026757300000000, -0.0000505200000000, -0.0014985700000000 ] - [ 0.0000766000000000, -0.0001257500000000, -0.0001355900000000 ] - [ 0.0014514100000000, -0.0024298600000000, -0.0033159500000000 ] - [ 0.0001911900000000, 0.0002428700000000, -0.0005564100000000 ] - [ 0.0024652400000000, -0.0037531600000000, -0.0037560800000000 ] - [ 0.0002374900000000, 0.0001607600000000, -0.0000916400000000 ] - [ 0.0003402000000000, 0.0000717200000000, 0.0005503600000000 ] - [ 0.0003847600000000, 0.0003789400000000, 0.0005781600000000 ] - [ -0.0010986300000000, -0.0017370400000000, 0.0001698200000000 ] - [ -0.0010546900000000, 0.0017606900000000, -0.0007889100000000 ] - [ -0.0000866700000000, 0.0003795900000000, -0.0005339500000000 ] - [ -0.0000277000000000, 0.0000638200000000, -0.0000470300000000 ] - [ 0.0000252000000000, -0.0004531400000000, 0.0010088000000000 ] - [ -0.0001200100000000, 0.0000513100000000, 0.0000969000000000 ] - [ 0.0008200700000000, 0.0007506200000000, -0.0013667800000000 ] - [ 0.0000311200000000, 0.0000166500000000, 0.0000117100000000 ] - [ -0.0024577500000000, 0.0012459600000000, 0.0034341300000000 ] - [ -0.0001147100000000, 0.0000352400000000, 0.0003210600000000 ] - [ -0.0006005200000000, -0.0004022900000000, -0.0011028500000000 ] - [ -0.0000669800000000, -0.0000424700000000, -0.0001530900000000 ] - [ -0.0000995800000000, 0.0013147400000000, -0.0023923900000000 ] - [ 0.0000125000000000, 0.0000073200000000, -0.0000770800000000 ] - [ -0.0004393000000000, -0.0006024600000000, 0.0000362700000000 ] - [ -0.0001301100000000, 0.0001192300000000, -0.0002242800000000 ] - [ 0.0001090100000000, 0.0003772000000000, -0.0007810600000000 ] - [ -0.0000320000000000, -0.0001003800000000, -0.0000803900000000 ] - [ 0.0010929600000000, 0.0005265700000000, -0.0002336900000000 ] - [ 0.0000205900000000, -0.0002101700000000, 0.0001329000000000 ] - [ 0.0017700600000000, 0.0000404900000000, 0.0025285600000000 ] - [ 0.0000175300000000, -0.0000014700000000, 0.0000544000000000 ] - [ -0.0000607300000000, 0.0001253500000000, -0.0003726900000000 ] - [ -0.0000174400000000, 0.0001128400000000, -0.0000577500000000 ] - [ 0.0003328700000000, 0.0008506300000000, 0.0011741300000000 ] - [ -0.0001065700000000, 0.0000596500000000, 0.0001506000000000 ] - [ -0.0008444700000000, -0.0023307900000000, 0.0027176400000000 ] - [ -0.0000439300000000, -0.0001602200000000, -0.0000544700000000 ] - [ -0.0001643700000000, -0.0002351900000000, -0.0004788400000000 ] - [ 0.0000200800000000, -0.0000626900000000, -0.0001683100000000 ] - [ -0.0002055200000000, -0.0000081600000000, -0.0002087400000000 ] - [ -0.0002717700000000, -0.0002770300000000, -0.0000804500000000 ] - [ -0.0001190500000000, -0.0000803900000000, -0.0002199800000000 ] - [ 0.0002383500000000, -0.0002166100000000, -0.0003813100000000 ] - [ -0.0005390700000000, 0.0003145800000000, 0.0000431600000000 ] - [ -0.0000377700000000, 0.0000953900000000, 0.0000632800000000 ] - [ 0.0005100400000000, -0.0003725000000000, 0.0013845000000000 ] - [ 0.0000420100000000, -0.0002190400000000, 0.0001846100000000 ] - [ 0.0009336100000000, 0.0000101100000000, -0.0007676000000000 ] - [ -0.0000288300000000, 0.0000795500000000, -0.0000720100000000 ] - [ 0.0010471400000000, -0.0005373100000000, 0.0000836000000000 ] - [ 0.0000349600000000, -0.0000743400000000, -0.0000278700000000 ] - [ 0.0010145900000000, -0.0008466100000000, 0.0000952800000000 ] - [ -0.0000781700000000, 0.0001395800000000, -0.0000010700000000 ] - [ -0.0017161400000000, 0.0014218900000000, 0.0020927300000000 ] - [ 0.0000433100000000, 0.0001056300000000, 0.0001092700000000 ] - [ -0.0001029500000000, 0.0004026100000000, -0.0001539200000000 ] - [ -0.0000158900000000, 0.0000868900000000, -0.0000531700000000 ] - [ 0.0009491800000000, 0.0004874500000000, 0.0003493700000000 ] - [ -0.0000266100000000, 0.0000234500000000, 0.0001709400000000 ] - [ -0.0006311900000000, -0.0004584600000000, -0.0015660700000000 ] - [ -0.0000139600000000, 0.0000244800000000, -0.0000787600000000 ] - [ -0.0001995000000000, 0.0000254300000000, 0.0000016100000000 ] - [ -0.0000052000000000, 0.0002814500000000, -0.0000833100000000 ] - [ 0.0007417700000000, 0.0002371300000000, -0.0010881500000000 ] - [ 0.0001424800000000, -0.0001948200000000, -0.0001271000000000 ] - [ 0.0001839000000000, 0.0001223800000000, -0.0003262600000000 ] - [ -0.0002049400000000, -0.0004425700000000, -0.0004826900000000 ] - [ -0.0019234000000000, 0.0008417700000000, 0.0050863900000000 ] - [ 0.0000413100000000, 0.0000031000000000, 0.0001519500000000 ] - [ 0.0001818500000000, -0.0008958900000000, 0.0004676400000000 ] - [ 0.0001371000000000, 0.0010236000000000, 0.0004665000000000 ] - [ -0.0001882100000000, 0.0006064600000000, -0.0013036600000000 ] - [ 0.0000054500000000, 0.0000070600000000, -0.0002167600000000 ] - [ -0.0021484900000000, -0.0004821200000000, 0.0021735600000000 ] - [ 0.0000806900000000, -0.0000922700000000, 0.0001584800000000 ] - [ 0.0000413800000000, -0.0002103700000000, -0.0000473900000000 ] - [ 0.0000399900000000, -0.0000978700000000, -0.0001510000000000 ] - [ 0.0002892300000000, 0.0001133000000000, -0.0004906700000000 ] - [ 0.0004205400000000, -0.0005953500000000, -0.0009329900000000 ] - [ 0.0006205800000000, -0.0001165300000000, -0.0012884900000000 ] - [ 0.0000508100000000, 0.0000421500000000, -0.0000712000000000 ] - [ -0.0002084000000000, 0.0006811200000000, -0.0015870400000000 ] - [ 0.0000387600000000, -0.0000779000000000, -0.0000556400000000 ] - [ 0.0003593200000000, -0.0002619600000000, -0.0002932200000000 ] - [ 0.0001919000000000, 0.0004025700000000, -0.0002629100000000 ] - [ -0.0000625700000000, -0.0002397400000000, 0.0005841600000000 ] - [ -0.0000121000000000, -0.0010073900000000, 0.0014999400000000 ] - [ -0.0002315700000000, 0.0009242500000000, 0.0001831300000000 ] - [ -0.0007433100000000, -0.0009181400000000, 0.0000689300000000 ] - [ -0.0008113700000000, -0.0012142500000000, 0.0029706400000000 ] - [ -0.0000702000000000, -0.0001930600000000, 0.0001292600000000 ] - [ -0.0013551000000000, -0.0004881300000000, 0.0051065400000000 ] - [ 0.0000836500000000, -0.0001600100000000, 0.0001046000000000 ]- atom: 3 displacement: [ 0.0028919147919272, 0.0000000000000000, -0.0095727127208661 ] forces: - [ 0.0101406500000000, 0.0094277700000000, 0.0016266600000000 ] - [ -0.0001326400000000, -0.0001052300000000, 0.0003481500000000 ] - [ -0.0656284800000000, 0.0024604500000000, 0.0819825900000000 ] - [ -0.0000914900000000, -0.0001124100000000, 0.0004132300000000 ] - [ -0.0006675100000000, -0.0011564100000000, -0.0005741800000000 ] - [ -0.0003015300000000, 0.0001484900000000, -0.0012206200000000 ] - [ -0.0017139600000000, 0.0019029200000000, -0.0027999600000000 ] - [ -0.0002293900000000, -0.0004245800000000, -0.0003781000000000 ] - [ 0.0007596700000000, 0.0004111000000000, 0.0007502500000000 ] - [ 0.0001156600000000, 0.0000600100000000, 0.0000820000000000 ] - [ -0.0000157400000000, 0.0005225000000000, -0.0006214700000000 ] - [ 0.0004016300000000, -0.0007293600000000, 0.0000239900000000 ] - [ 0.0071751100000000, -0.0086245100000000, 0.0004513600000000 ] - [ -0.0002602000000000, 0.0002198700000000, 0.0001757700000000 ] - [ 0.0018579900000000, 0.0004819900000000, -0.0036374400000000 ] - [ 0.0002005600000000, -0.0003037000000000, -0.0006404800000000 ] - [ 0.0003095200000000, -0.0002540300000000, -0.0003549700000000 ] - [ -0.0000038000000000, -0.0002926200000000, -0.0002394700000000 ] - [ -0.0021470800000000, -0.0024443100000000, -0.0065509400000000 ] - [ -0.0001083200000000, -0.0001149700000000, -0.0000426200000000 ] - [ 0.0007427900000000, 0.0002216400000000, 0.0009557800000000 ] - [ -0.0000001000000000, 0.0001417300000000, -0.0001176900000000 ] - [ 0.0063552800000000, 0.0002086800000000, -0.0025719000000000 ] - [ 0.0001662000000000, -0.0000848300000000, 0.0000205000000000 ] - [ -0.0005227700000000, 0.0013791900000000, 0.0041166200000000 ] - [ 0.0000287900000000, 0.0002462400000000, 0.0009921300000000 ] - [ 0.0005087900000000, 0.0000673400000000, 0.0006876800000000 ] - [ 0.0006015800000000, 0.0000659700000000, 0.0007206200000000 ] - [ -0.0001192100000000, -0.0000374200000000, -0.0020748400000000 ] - [ -0.0001520400000000, -0.0002624200000000, -0.0001983500000000 ] - [ 0.0023162800000000, -0.0001209900000000, -0.0030170900000000 ] - [ 0.0000771500000000, 0.0000466700000000, -0.0003423100000000 ] - [ -0.0006548900000000, -0.0067622900000000, -0.0025507100000000 ] - [ 0.0003561300000000, 0.0008598900000000, -0.0002326200000000 ] - [ 0.0060777000000000, -0.0032924000000000, -0.0214902300000000 ] - [ 0.0002563100000000, -0.0002925400000000, -0.0000165400000000 ] - [ -0.0003425700000000, 0.0001697500000000, 0.0051386500000000 ] - [ -0.0003209600000000, 0.0000604100000000, 0.0008362500000000 ] - [ -0.0001505500000000, 0.0000033300000000, -0.0008543800000000 ] - [ -0.0001617400000000, 0.0000447000000000, -0.0002354300000000 ] - [ 0.0003975400000000, 0.0005705000000000, -0.0001904200000000 ] - [ 0.0003253900000000, -0.0036873300000000, -0.0017534800000000 ] - [ 0.0001553900000000, -0.0001422500000000, -0.0002125100000000 ] - [ -0.0000826400000000, -0.0000023400000000, -0.0011826900000000 ] - [ -0.0010176400000000, 0.0048036300000000, -0.0028398100000000 ] - [ 0.0002694300000000, -0.0005903800000000, -0.0002292600000000 ] - [ -0.0008842300000000, -0.0005307000000000, 0.0004410100000000 ] - [ -0.0013392000000000, 0.0015469500000000, 0.0003167100000000 ] - [ 0.0015637800000000, -0.0006516600000000, -0.0009400900000000 ] - [ 0.0002398500000000, 0.0003785000000000, -0.0002251400000000 ] - [ 0.0368812600000000, -0.0017483100000000, -0.0356454300000000 ] - [ 0.0000828300000000, 0.0000065900000000, -0.0001106500000000 ] - [ -0.0026084100000000, -0.0000785200000000, 0.0013137500000000 ] - [ -0.0000101900000000, -0.0000030800000000, -0.0000493500000000 ] - [ -0.0015100400000000, 0.0025361500000000, 0.0034842400000000 ] - [ -0.0002557500000000, -0.0001129800000000, 0.0007402900000000 ] - [ -0.0024069900000000, 0.0039124400000000, 0.0035705100000000 ] - [ -0.0001701400000000, -0.0000298600000000, -0.0000946200000000 ] - [ -0.0004043900000000, -0.0002017000000000, -0.0003684500000000 ] - [ -0.0004473800000000, -0.0005036300000000, -0.0003960800000000 ] - [ 0.0011533100000000, 0.0016028100000000, -0.0003442400000000 ] - [ 0.0011135300000000, -0.0018908000000000, 0.0006107400000000 ] - [ 0.0000216800000000, -0.0002491500000000, 0.0007162200000000 ] - [ -0.0000366000000000, 0.0000664600000000, 0.0002296500000000 ] - [ -0.0000233500000000, 0.0004667800000000, -0.0010112100000000 ] - [ 0.0001207900000000, -0.0000381600000000, -0.0000984000000000 ] - [ -0.0008728000000000, -0.0006856600000000, 0.0015485200000000 ] - [ -0.0000827100000000, 0.0000466300000000, 0.0001673200000000 ] - [ 0.0024033000000000, -0.0013190800000000, -0.0032389600000000 ] - [ 0.0000626600000000, -0.0000988600000000, -0.0001425600000000 ] - [ 0.0005984500000000, 0.0003791300000000, 0.0010984500000000 ] - [ 0.0000671600000000, 0.0000218300000000, 0.0001528200000000 ] - [ 0.0000679100000000, -0.0009714100000000, 0.0022347300000000 ] - [ -0.0000446300000000, 0.0003400800000000, -0.0000798900000000 ] - [ 0.0004428400000000, 0.0004074200000000, -0.0001924100000000 ] - [ 0.0001366200000000, -0.0003107800000000, 0.0000662300000000 ] - [ -0.0001103400000000, -0.0005236200000000, 0.0007762500000000 ] - [ 0.0000319900000000, -0.0000463700000000, 0.0000779800000000 ] - [ -0.0011033600000000, -0.0007181500000000, 0.0003921100000000 ] - [ -0.0000262900000000, 0.0000205600000000, 0.0000244900000000 ] - [ -0.0017800700000000, -0.0000196800000000, -0.0025365200000000 ] - [ -0.0000169600000000, 0.0000235500000000, -0.0000569900000000 ] - [ 0.0000941900000000, 0.0002212900000000, 0.0005248800000000 ] - [ 0.0000514800000000, 0.0002345200000000, 0.0002124900000000 ] - [ -0.0003297800000000, -0.0007043300000000, -0.0011728600000000 ] - [ 0.0001083100000000, 0.0000881000000000, -0.0001514100000000 ] - [ 0.0008460100000000, 0.0020206500000000, -0.0024608300000000 ] - [ 0.0000121900000000, -0.0001866000000000, -0.0001012700000000 ] - [ 0.0002165200000000, 0.0002968400000000, 0.0002955900000000 ] - [ 0.0000337900000000, 0.0001260000000000, -0.0000142600000000 ] - [ 0.0002071900000000, 0.0000104000000000, 0.0002096900000000 ] - [ 0.0002713300000000, 0.0002767200000000, 0.0000811300000000 ] - [ 0.0001177300000000, 0.0000682700000000, 0.0002174200000000 ] - [ -0.0002385900000000, 0.0002068700000000, 0.0003808400000000 ] - [ 0.0005277000000000, -0.0001215500000000, 0.0001134000000000 ] - [ 0.0000320600000000, 0.0000957600000000, 0.0000940200000000 ] - [ -0.0004755000000000, 0.0000275500000000, -0.0012283600000000 ] - [ -0.0000081400000000, -0.0001268900000000, -0.0000297600000000 ] - [ -0.0009200800000000, 0.0001815400000000, 0.0006056300000000 ] - [ 0.0000356800000000, 0.0001118400000000, -0.0000879400000000 ] - [ -0.0009964400000000, 0.0004751200000000, -0.0002644400000000 ] - [ 0.0000182900000000, 0.0000122300000000, -0.0001542600000000 ] - [ -0.0010175700000000, 0.0008495100000000, -0.0000963500000000 ] - [ 0.0000787000000000, -0.0001385900000000, -0.0000000600000000 ] - [ 0.0015995800000000, -0.0013336300000000, -0.0020428900000000 ] - [ -0.0000432000000000, -0.0000939200000000, -0.0001111500000000 ] - [ 0.0000509900000000, -0.0003351800000000, 0.0003313500000000 ] - [ -0.0000356400000000, -0.0000231200000000, 0.0002323000000000 ] - [ -0.0010016800000000, -0.0005498100000000, -0.0001703100000000 ] - [ -0.0000257400000000, -0.0000855300000000, 0.0000089600000000 ] - [ 0.0006315500000000, 0.0004410700000000, 0.0015650200000000 ] - [ 0.0000138000000000, -0.0000445500000000, 0.0000776900000000 ] - [ 0.0001668400000000, 0.0003220700000000, -0.0001591400000000 ] - [ -0.0000275900000000, 0.0000667600000000, -0.0000740400000000 ] - [ -0.0007347600000000, -0.0004259500000000, 0.0009297900000000 ] - [ -0.0001349700000000, 0.0000048700000000, -0.0000331700000000 ] - [ -0.0001809400000000, -0.0002700000000000, 0.0003232500000000 ] - [ 0.0002061300000000, 0.0002961100000000, 0.0004800700000000 ] - [ 0.0018970400000000, -0.0012159400000000, -0.0050909900000000 ] - [ -0.0000467000000000, -0.0001921900000000, 0.0000056700000000 ] - [ -0.0001806200000000, 0.0009172300000000, -0.0004683300000000 ] - [ -0.0001363700000000, -0.0009990600000000, -0.0004695300000000 ] - [ 0.0002223000000000, -0.0002510900000000, 0.0014555100000000 ] - [ 0.0000286800000000, 0.0003387300000000, 0.0003713700000000 ] - [ 0.0020408500000000, 0.0005550500000000, -0.0021368300000000 ] - [ -0.0000801600000000, 0.0002407400000000, -0.0001575900000000 ] - [ -0.0000735400000000, -0.0001350700000000, -0.0001091100000000 ] - [ -0.0000715800000000, -0.0002482400000000, -0.0000051000000000 ] - [ -0.0002347700000000, -0.0000525700000000, 0.0003063800000000 ] - [ -0.0003658500000000, 0.0006606700000000, 0.0007501700000000 ] - [ -0.0006139600000000, 0.0001169200000000, 0.0012880200000000 ] - [ -0.0000506300000000, -0.0000420200000000, 0.0000708500000000 ] - [ 0.0002122000000000, -0.0006962900000000, 0.0015885900000000 ] - [ -0.0000382700000000, 0.0000661900000000, 0.0000545300000000 ] - [ -0.0003639100000000, 0.0004519200000000, 0.0004509300000000 ] - [ -0.0001983400000000, -0.0002112400000000, 0.0004219400000000 ] - [ 0.0000966200000000, -0.0001039100000000, -0.0004312000000000 ] - [ 0.0000433700000000, 0.0006605300000000, -0.0013468000000000 ] - [ 0.0002392500000000, -0.0007298300000000, -0.0003424100000000 ] - [ 0.0007499000000000, 0.0011085300000000, -0.0002284300000000 ] - [ 0.0008806600000000, 0.0011097000000000, -0.0031335500000000 ] - [ 0.0001227400000000, 0.0001318300000000, -0.0003113500000000 ] - [ 0.0012301200000000, 0.0006530600000000, -0.0053405700000000 ] - [ -0.0000828800000000, 0.0001607400000000, -0.0001059300000000 ]- atom: 5 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ -0.0010226700000000, 0.0001259400000000, -0.0005043800000000 ] - [ -0.0003449700000000, 0.0001146700000000, -0.0000231800000000 ] - [ 0.0000076900000000, 0.0001317200000000, 0.0005633800000000 ] - [ 0.0000691300000000, -0.0002917400000000, 0.0001936100000000 ] - [ -0.0673052600000000, -0.0187308700000000, -0.0202822100000000 ] - [ -0.0003596300000000, 0.0000494400000000, -0.0000030500000000 ] - [ 0.0017329400000000, -0.0003779600000000, -0.0001262900000000 ] - [ 0.0002246900000000, 0.0002636600000000, 0.0000894200000000 ] - [ 0.0002155500000000, 0.0000124100000000, -0.0000656700000000 ] - [ 0.0028934000000000, 0.0024434200000000, -0.0009747800000000 ] - [ 0.0018999800000000, -0.0012271800000000, 0.0031521500000000 ] - [ 0.0001193300000000, -0.0000464000000000, 0.0000329200000000 ] - [ -0.0004439500000000, 0.0002329700000000, -0.0001289700000000 ] - [ -0.0009358500000000, 0.0002895700000000, -0.0005154200000000 ] - [ 0.0095114200000000, 0.0075630100000000, -0.0047124000000000 ] - [ 0.0000766100000000, -0.0000146500000000, 0.0001579100000000 ] - [ 0.0009425100000000, -0.0014270800000000, 0.0013020000000000 ] - [ 0.0000369800000000, 0.0002307500000000, 0.0001268300000000 ] - [ -0.0079827000000000, -0.0004450100000000, -0.0005261500000000 ] - [ -0.0009291000000000, -0.0003086800000000, -0.0000495200000000 ] - [ 0.0024417800000000, -0.0017529700000000, -0.0007544100000000 ] - [ 0.0001297800000000, 0.0006572600000000, -0.0004995400000000 ] - [ 0.0007229600000000, 0.0002677200000000, 0.0003752400000000 ] - [ 0.0006300600000000, -0.0002485400000000, -0.0000932900000000 ] - [ 0.0000979600000000, 0.0002206700000000, 0.0002113400000000 ] - [ 0.0009477100000000, 0.0000711700000000, 0.0010523800000000 ] - [ 0.0002895300000000, -0.0000983100000000, 0.0000661700000000 ] - [ -0.0000640100000000, 0.0000664600000000, -0.0000040600000000 ] - [ 0.0005838300000000, 0.0000092800000000, 0.0001947000000000 ] - [ 0.0005862100000000, 0.0000657700000000, 0.0001663900000000 ] - [ -0.0004042500000000, 0.0004819900000000, -0.0003506900000000 ] - [ -0.0042767800000000, -0.0013972600000000, -0.0004747100000000 ] - [ 0.0056025700000000, 0.0095994000000000, 0.0145333200000000 ] - [ 0.0002490000000000, 0.0001387100000000, -0.0000385100000000 ] - [ 0.0004590400000000, 0.0003418400000000, -0.0004635500000000 ] - [ 0.0004594100000000, -0.0005260500000000, -0.0000481100000000 ] - [ 0.0004484800000000, 0.0001381700000000, 0.0007617800000000 ] - [ -0.0000756800000000, 0.0002593100000000, 0.0000598200000000 ] - [ -0.0000688400000000, -0.0001596400000000, 0.0001758600000000 ] - [ 0.0035139900000000, 0.0029733200000000, 0.0012890000000000 ] - [ 0.0020305300000000, -0.0015531800000000, -0.0016843100000000 ] - [ 0.0002131600000000, 0.0000404000000000, -0.0001095800000000 ] - [ 0.0033505500000000, -0.0017853600000000, 0.0000924000000000 ] - [ 0.0001225500000000, -0.0000603300000000, 0.0001831300000000 ] - [ 0.0001495200000000, 0.0004595100000000, -0.0000502900000000 ] - [ 0.0039400900000000, -0.0056331700000000, 0.0077277500000000 ] - [ -0.0049813500000000, 0.0004788900000000, -0.0076462300000000 ] - [ -0.0001588100000000, 0.0001108400000000, -0.0001759300000000 ] - [ -0.0013247500000000, 0.0006159000000000, -0.0006055200000000 ] - [ -0.0000425900000000, -0.0001823600000000, -0.0002000700000000 ] - [ 0.0002460100000000, -0.0002535100000000, 0.0002421800000000 ] - [ 0.0001738400000000, 0.0001452200000000, 0.0001993500000000 ] - [ -0.0009216600000000, 0.0006993500000000, -0.0002348600000000 ] - [ -0.0008580500000000, -0.0008745500000000, 0.0000067200000000 ] - [ 0.0204647400000000, 0.0116214700000000, 0.0020986700000000 ] - [ 0.0001086000000000, -0.0000244700000000, 0.0000833200000000 ] - [ 0.0000631400000000, -0.0002773500000000, 0.0001236400000000 ] - [ 0.0006604600000000, 0.0016170800000000, 0.0004302500000000 ] - [ -0.0008403700000000, -0.0001650700000000, -0.0010188800000000 ] - [ -0.0000689800000000, -0.0001732500000000, 0.0000674300000000 ] - [ 0.0163090100000000, 0.0002256000000000, 0.0086366100000000 ] - [ 0.0001569800000000, -0.0002392600000000, -0.0000673600000000 ] - [ -0.0002446200000000, 0.0000855100000000, 0.0000403900000000 ] - [ -0.0031499400000000, 0.0002272400000000, 0.0002680500000000 ] - [ 0.0000615500000000, -0.0000003300000000, 0.0000429600000000 ] - [ 0.0003246600000000, 0.0002290300000000, 0.0006066300000000 ] - [ 0.0002045300000000, -0.0008833400000000, 0.0005885700000000 ] - [ -0.0000508600000000, 0.0002222900000000, 0.0001134200000000 ] - [ 0.0006768400000000, -0.0001618300000000, -0.0000784300000000 ] - [ 0.0000047800000000, 0.0000046000000000, 0.0000856000000000 ] - [ 0.0012012700000000, 0.0013388500000000, -0.0002492500000000 ] - [ 0.0000500400000000, -0.0001408700000000, 0.0000323600000000 ] - [ 0.0001221700000000, -0.0003688800000000, 0.0008910300000000 ] - [ -0.0000064600000000, 0.0002109100000000, -0.0000411600000000 ] - [ 0.0072778100000000, -0.0037914100000000, -0.0036438000000000 ] - [ 0.0001562200000000, -0.0002605300000000, -0.0000540400000000 ] - [ 0.0005842200000000, 0.0000368900000000, 0.0006841600000000 ] - [ 0.0004714700000000, -0.0006234300000000, 0.0000277400000000 ] - [ 0.0002084400000000, -0.0000196500000000, -0.0003426600000000 ] - [ 0.0000408800000000, -0.0001246000000000, 0.0000517900000000 ] - [ 0.0001147400000000, 0.0001094400000000, 0.0002829700000000 ] - [ 0.0001336400000000, -0.0000853900000000, 0.0002865700000000 ] - [ -0.0004013900000000, 0.0003868400000000, -0.0000231300000000 ] - [ -0.0000351900000000, 0.0000413600000000, -0.0000075800000000 ] - [ 0.0002993900000000, -0.0001842600000000, 0.0004240300000000 ] - [ 0.0000758800000000, 0.0000088500000000, 0.0000756400000000 ] - [ 0.0003995900000000, -0.0007746900000000, -0.0008124400000000 ] - [ 0.0000452600000000, 0.0000831400000000, -0.0001117800000000 ] - [ -0.0001535900000000, 0.0002020300000000, 0.0000142700000000 ] - [ -0.0001337500000000, -0.0004255400000000, -0.0002933300000000 ] - [ 0.0000685000000000, 0.0000709700000000, 0.0000328400000000 ] - [ 0.0011202400000000, -0.0005243300000000, -0.0004447700000000 ] - [ 0.0037130800000000, 0.0038142100000000, 0.0049780500000000 ] - [ 0.0000852900000000, -0.0000207600000000, -0.0000085800000000 ] - [ 0.0002435100000000, 0.0006386900000000, -0.0002711300000000 ] - [ -0.0001145200000000, -0.0009080600000000, 0.0001794000000000 ] - [ -0.0001296800000000, -0.0000318700000000, -0.0003550300000000 ] - [ -0.0000125000000000, -0.0002449900000000, 0.0000343500000000 ] - [ 0.0002356600000000, 0.0001903100000000, -0.0000656700000000 ] - [ 0.0002113500000000, 0.0001827200000000, -0.0000194400000000 ] - [ -0.0001554800000000, 0.0001278400000000, -0.0001536300000000 ] - [ -0.0000296800000000, -0.0001107000000000, -0.0000056300000000 ] - [ 0.0000964400000000, -0.0000782100000000, 0.0000691500000000 ] - [ 0.0005450000000000, -0.0001555400000000, -0.0003333500000000 ] - [ -0.0001186000000000, -0.0000393000000000, -0.0001901500000000 ] - [ -0.0001138500000000, 0.0000142800000000, 0.0000053500000000 ] - [ -0.0009794200000000, 0.0003424500000000, -0.0000872200000000 ] - [ -0.0000379000000000, 0.0000051100000000, 0.0000963400000000 ] - [ -0.0000597000000000, -0.0000410300000000, 0.0000813900000000 ] - [ -0.0002051300000000, -0.0001221100000000, 0.0001340700000000 ] - [ -0.0000718500000000, -0.0001010600000000, -0.0000625700000000 ] - [ -0.0003881700000000, 0.0002315200000000, -0.0002518100000000 ] - [ -0.0000121900000000, 0.0001924900000000, -0.0000965600000000 ] - [ -0.0004515000000000, 0.0000857300000000, -0.0008898200000000 ] - [ -0.0001229500000000, -0.0002040000000000, -0.0000800300000000 ] - [ -0.0007457400000000, 0.0004587400000000, 0.0000105400000000 ] - [ -0.0013712000000000, 0.0002370700000000, 0.0002625000000000 ] - [ -0.0000669800000000, -0.0001258600000000, -0.0000308600000000 ] - [ -0.0000850900000000, -0.0001726100000000, 0.0000886200000000 ] - [ -0.0002735700000000, 0.0000718300000000, 0.0002422100000000 ] - [ -0.0006344300000000, 0.0002505100000000, -0.0012528300000000 ] - [ -0.0000339300000000, -0.0000297800000000, -0.0000443000000000 ] - [ 0.0000258100000000, -0.0000478200000000, 0.0000252600000000 ] - [ 0.0047049300000000, -0.0043686200000000, 0.0012435400000000 ] - [ -0.0001144700000000, 0.0000132200000000, -0.0000319300000000 ] - [ -0.0003091500000000, 0.0002036800000000, -0.0002267200000000 ] - [ -0.0006024200000000, -0.0001046000000000, -0.0000915400000000 ] - [ -0.0000317300000000, -0.0002098400000000, -0.0000940400000000 ] - [ 0.0028898500000000, 0.0018156300000000, -0.0011619800000000 ] - [ 0.0000207300000000, -0.0000428600000000, -0.0001183100000000 ] - [ -0.0010052600000000, -0.0010098600000000, -0.0005718400000000 ] - [ -0.0001349000000000, -0.0000421900000000, -0.0000278400000000 ] - [ -0.0006965900000000, -0.0002551000000000, 0.0001119700000000 ] - [ -0.0001571200000000, -0.0000011200000000, -0.0001088900000000 ] - [ -0.0023962400000000, 0.0001156600000000, -0.0009449900000000 ] - [ -0.0000301800000000, 0.0000646900000000, 0.0000888200000000 ] - [ 0.0000691600000000, -0.0000597000000000, 0.0002405300000000 ] - [ 0.0000318200000000, -0.0002203100000000, 0.0001072300000000 ] - [ -0.0003287600000000, 0.0000371200000000, -0.0000991700000000 ] - [ -0.0000578100000000, 0.0000377600000000, -0.0000948900000000 ] - [ 0.0000983300000000, -0.0002110200000000, -0.0001206200000000 ] - [ 0.0005092600000000, 0.0002074500000000, -0.0003485100000000 ] - [ -0.0002402200000000, 0.0001655800000000, -0.0001086900000000 ] - [ -0.0000991500000000, 0.0000770700000000, -0.0000611300000000 ]- atom: 5 displacement: [ -0.0099999986220908, 0.0000000000000000, 0.0000052495887392 ] forces: - [ 0.0008884200000000, 0.0001845600000000, 0.0007960400000000 ] - [ 0.0002113900000000, 0.0001929100000000, 0.0003123500000000 ] - [ -0.0000348700000000, -0.0001995600000000, -0.0004449900000000 ] - [ -0.0000961400000000, 0.0002159800000000, -0.0000731200000000 ] - [ 0.0670456500000000, 0.0189295500000000, 0.0205790700000000 ] - [ -0.0000176000000000, -0.0003869700000000, 0.0000191800000000 ] - [ -0.0016996500000000, 0.0004419000000000, 0.0000168400000000 ] - [ -0.0001953900000000, -0.0001913800000000, -0.0002035300000000 ] - [ 0.0001624600000000, 0.0003317000000000, 0.0000537600000000 ] - [ -0.0025043500000000, -0.0020912700000000, 0.0009531000000000 ] - [ -0.0015145800000000, 0.0008791900000000, -0.0031475000000000 ] - [ 0.0002559600000000, -0.0002942900000000, -0.0000480900000000 ] - [ 0.0000648700000000, 0.0001122900000000, 0.0001422000000000 ] - [ 0.0005525800000000, 0.0000511800000000, 0.0005274100000000 ] - [ -0.0096074400000000, -0.0076259000000000, 0.0048669900000000 ] - [ -0.0001022700000000, 0.0000827600000000, -0.0000388400000000 ] - [ -0.0008112900000000, 0.0011111300000000, -0.0015907900000000 ] - [ 0.0000917400000000, -0.0005376200000000, -0.0004148100000000 ] - [ 0.0078267700000000, 0.0001963100000000, 0.0008193800000000 ] - [ 0.0007900700000000, -0.0000090500000000, 0.0003384700000000 ] - [ -0.0023108500000000, 0.0020601900000000, 0.0004598700000000 ] - [ -0.0000001300000000, -0.0003433100000000, 0.0002068800000000 ] - [ -0.0006941900000000, -0.0003379300000000, -0.0004906400000000 ] - [ -0.0005948300000000, 0.0001787700000000, -0.0000281600000000 ] - [ -0.0002271100000000, 0.0000907800000000, 0.0000794300000000 ] - [ -0.0010728000000000, 0.0002401700000000, -0.0007572000000000 ] - [ -0.0003196300000000, 0.0000263700000000, 0.0000460500000000 ] - [ 0.0000329500000000, -0.0001368700000000, 0.0001197200000000 ] - [ -0.0009621000000000, -0.0003550000000000, -0.0001827400000000 ] - [ -0.0009594400000000, -0.0004043600000000, -0.0001500100000000 ] - [ 0.0004315000000000, -0.0004070700000000, 0.0002322500000000 ] - [ 0.0042910600000000, 0.0014669700000000, 0.0003446000000000 ] - [ -0.0052002700000000, -0.0093260200000000, -0.0146537100000000 ] - [ 0.0001284700000000, 0.0001993200000000, 0.0000241600000000 ] - [ -0.0000781000000000, -0.0006808300000000, 0.0004493800000000 ] - [ -0.0000763000000000, 0.0001799200000000, 0.0000364500000000 ] - [ -0.0008264400000000, 0.0002085900000000, -0.0007477500000000 ] - [ -0.0003004500000000, 0.0000796500000000, -0.0000469700000000 ] - [ 0.0000380800000000, 0.0002302100000000, -0.0000598800000000 ] - [ -0.0035317800000000, -0.0028833800000000, -0.0011551100000000 ] - [ -0.0018893500000000, 0.0012382300000000, 0.0013938800000000 ] - [ -0.0000804800000000, -0.0003493500000000, -0.0001808900000000 ] - [ -0.0034901500000000, 0.0014906400000000, 0.0002036300000000 ] - [ -0.0002532500000000, -0.0002482300000000, 0.0001079300000000 ] - [ -0.0000175800000000, -0.0001472200000000, -0.0002382100000000 ] - [ -0.0037752500000000, 0.0059790900000000, -0.0080713700000000 ] - [ 0.0049384400000000, -0.0005513700000000, 0.0075377900000000 ] - [ 0.0001873500000000, -0.0001797700000000, 0.0000602900000000 ] - [ 0.0013863000000000, -0.0004762500000000, 0.0004233600000000 ] - [ 0.0001062000000000, 0.0003145500000000, 0.0000200200000000 ] - [ -0.0003087500000000, 0.0001183100000000, -0.0000635800000000 ] - [ -0.0002349100000000, -0.0002787400000000, -0.0000205100000000 ] - [ 0.0009846000000000, -0.0008327900000000, 0.0000578900000000 ] - [ 0.0009183000000000, 0.0007336700000000, -0.0001824500000000 ] - [ -0.0208047200000000, -0.0120797700000000, -0.0019592100000000 ] - [ -0.0001723600000000, 0.0001598500000000, 0.0000965200000000 ] - [ 0.0000005300000000, 0.0004098800000000, -0.0003018300000000 ] - [ -0.0005934800000000, -0.0014779500000000, -0.0006080600000000 ] - [ 0.0007724600000000, 0.0000283100000000, 0.0011921900000000 ] - [ 0.0000046100000000, 0.0000395400000000, 0.0001126100000000 ] - [ -0.0162381000000000, -0.0003614400000000, -0.0090645400000000 ] - [ -0.0000922500000000, 0.0001060700000000, -0.0001116800000000 ] - [ 0.0001810300000000, 0.0000500600000000, 0.0001397100000000 ] - [ 0.0030797500000000, -0.0001034200000000, -0.0000872200000000 ] - [ -0.0000610300000000, 0.0000142700000000, -0.0000424000000000 ] - [ -0.0003192500000000, -0.0002109600000000, -0.0006040400000000 ] - [ -0.0002585700000000, 0.0009435900000000, -0.0004036200000000 ] - [ -0.0000052700000000, -0.0001550100000000, 0.0000721300000000 ] - [ -0.0007290300000000, 0.0000979000000000, 0.0002593900000000 ] - [ -0.0000578600000000, -0.0000647900000000, 0.0000961800000000 ] - [ -0.0011944900000000, -0.0013563500000000, 0.0002603100000000 ] - [ -0.0000490100000000, 0.0001220600000000, -0.0000301400000000 ] - [ -0.0001565800000000, 0.0007161300000000, -0.0010479500000000 ] - [ -0.0000283700000000, 0.0001367300000000, -0.0001143300000000 ] - [ -0.0070911900000000, 0.0034126100000000, 0.0033369700000000 ] - [ -0.0001460800000000, 0.0000679800000000, -0.0001038700000000 ] - [ -0.0005837800000000, -0.0001834600000000, -0.0006838100000000 ] - [ -0.0004669500000000, 0.0004714700000000, -0.0000284800000000 ] - [ -0.0002152600000000, -0.0001707200000000, 0.0004984000000000 ] - [ -0.0000478400000000, -0.0000669300000000, 0.0001064300000000 ] - [ -0.0001144900000000, -0.0000903300000000, -0.0002831700000000 ] - [ -0.0001327400000000, 0.0001020400000000, -0.0002853500000000 ] - [ 0.0004347300000000, -0.0000360300000000, 0.0001817500000000 ] - [ 0.0000695100000000, 0.0003041600000000, 0.0001648700000000 ] - [ -0.0002959100000000, 0.0003303800000000, -0.0004233700000000 ] - [ -0.0000750900000000, 0.0001386600000000, -0.0000734200000000 ] - [ -0.0004320100000000, 0.0004267400000000, 0.0006508300000000 ] - [ -0.0000787000000000, -0.0004260700000000, -0.0000465400000000 ] - [ 0.0002077100000000, -0.0001395400000000, -0.0001958200000000 ] - [ 0.0001871800000000, 0.0004824400000000, 0.0001105200000000 ] - [ -0.0000684000000000, -0.0000706100000000, -0.0000320100000000 ] - [ -0.0009882800000000, 0.0006202700000000, 0.0003792200000000 ] - [ -0.0037038200000000, -0.0037814800000000, -0.0049123800000000 ] - [ -0.0000846600000000, 0.0000067800000000, 0.0000087900000000 ] - [ -0.0002517600000000, -0.0004456300000000, 0.0004299100000000 ] - [ 0.0001061300000000, 0.0010908500000000, -0.0000201400000000 ] - [ 0.0001639300000000, -0.0003139200000000, 0.0005112500000000 ] - [ 0.0000465600000000, -0.0001025900000000, 0.0001226100000000 ] - [ -0.0002255900000000, 0.0000020400000000, -0.0000927700000000 ] - [ -0.0002023100000000, 0.0000080400000000, -0.0001380400000000 ] - [ 0.0002096500000000, -0.0001863400000000, -0.0000279300000000 ] - [ 0.0000832000000000, 0.0000490600000000, -0.0001749800000000 ] - [ -0.0000953400000000, 0.0000779100000000, -0.0000686800000000 ] - [ -0.0005429100000000, 0.0001544600000000, 0.0003309500000000 ] - [ 0.0001165600000000, 0.0000559900000000, 0.0001900000000000 ] - [ 0.0001121800000000, -0.0000014700000000, -0.0000047600000000 ] - [ 0.0009207800000000, -0.0002805600000000, 0.0002651800000000 ] - [ -0.0000158700000000, 0.0000554100000000, 0.0000854600000000 ] - [ 0.0000063400000000, -0.0000195900000000, 0.0000995800000000 ] - [ 0.0001505800000000, 0.0000609000000000, 0.0000488000000000 ] - [ 0.0000708100000000, 0.0000828000000000, 0.0000629400000000 ] - [ 0.0003846000000000, -0.0002515600000000, 0.0002485500000000 ] - [ -0.0000221000000000, 0.0001541100000000, -0.0000594400000000 ] - [ 0.0004157900000000, 0.0002599900000000, 0.0007291600000000 ] - [ 0.0001303700000000, 0.0000134900000000, -0.0000769900000000 ] - [ 0.0007495600000000, -0.0006550100000000, -0.0001660100000000 ] - [ 0.0013731400000000, -0.0003854400000000, -0.0002677000000000 ] - [ 0.0000669300000000, -0.0000218500000000, 0.0000304300000000 ] - [ 0.0000766300000000, -0.0000186700000000, 0.0000699900000000 ] - [ 0.0002623600000000, -0.0002620400000000, -0.0000817000000000 ] - [ 0.0006299700000000, -0.0002355000000000, 0.0012507400000000 ] - [ 0.0000338000000000, 0.0000491800000000, 0.0000431900000000 ] - [ 0.0000089400000000, 0.0003940200000000, 0.0001316400000000 ] - [ -0.0046866300000000, 0.0048623400000000, -0.0010732500000000 ] - [ 0.0001141200000000, 0.0001345800000000, 0.0000328400000000 ] - [ 0.0003051600000000, -0.0000544900000000, 0.0002234300000000 ] - [ 0.0005686600000000, -0.0002430800000000, -0.0000599700000000 ] - [ -0.0000029200000000, -0.0001371200000000, -0.0000622900000000 ] - [ -0.0029687900000000, -0.0017180400000000, 0.0011576100000000 ] - [ 0.0000328400000000, 0.0001037400000000, -0.0000629500000000 ] - [ 0.0010013400000000, 0.0010117200000000, 0.0005732600000000 ] - [ 0.0001330300000000, 0.0000402700000000, 0.0000278800000000 ] - [ 0.0006910800000000, 0.0002402400000000, -0.0001109100000000 ] - [ 0.0001551500000000, -0.0000135300000000, 0.0001082100000000 ] - [ 0.0024642100000000, 0.0000752900000000, 0.0011311600000000 ] - [ 0.0000218700000000, 0.0001273800000000, 0.0000701500000000 ] - [ -0.0000328700000000, -0.0002864800000000, -0.0000867400000000 ] - [ 0.0000029300000000, -0.0001259200000000, 0.0000497300000000 ] - [ 0.0003352100000000, 0.0001528800000000, -0.0000601600000000 ] - [ 0.0000655100000000, 0.0001538300000000, -0.0000636200000000 ] - [ -0.0000442200000000, 0.0001496800000000, -0.0000601600000000 ] - [ -0.0004524500000000, -0.0002644300000000, 0.0001653000000000 ] - [ 0.0002383000000000, -0.0001636100000000, 0.0001077800000000 ] - [ 0.0000981300000000, -0.0000767000000000, 0.0000604100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000363300000000, -0.0001458900000000, -0.0000534500000000 ] - [ 0.0000176000000000, 0.0009606000000000, 0.0002510400000000 ] - [ -0.0001210000000000, 0.0001349800000000, 0.0010405500000000 ] - [ -0.0002225900000000, 0.0003392400000000, -0.0003573200000000 ] - [ -0.0186131600000000, -0.0910227600000000, -0.0138215300000000 ] - [ 0.0000221000000000, 0.0013709500000000, 0.0000474500000000 ] - [ 0.0001630500000000, -0.0012990500000000, -0.0002515100000000 ] - [ -0.0000037300000000, 0.0010112800000000, 0.0000691900000000 ] - [ 0.0000395600000000, 0.0014419300000000, 0.0004375200000000 ] - [ 0.0024630600000000, 0.0019913500000000, -0.0009182400000000 ] - [ 0.0012626400000000, -0.0050829300000000, 0.0008227200000000 ] - [ 0.0000733600000000, 0.0009278100000000, -0.0000158800000000 ] - [ -0.0002602400000000, 0.0008863400000000, -0.0000903000000000 ] - [ -0.0003192300000000, 0.0002844700000000, 0.0000430500000000 ] - [ 0.0104981600000000, -0.0000238000000000, -0.0059365700000000 ] - [ -0.0003808600000000, 0.0015386900000000, -0.0000173900000000 ] - [ -0.0016623300000000, 0.0004557500000000, -0.0026873600000000 ] - [ 0.0006602400000000, 0.0010397100000000, 0.0004397400000000 ] - [ -0.0030528700000000, 0.0203830700000000, -0.0008621100000000 ] - [ -0.0000749200000000, 0.0030060000000000, -0.0000630600000000 ] - [ -0.0024956700000000, 0.0011957600000000, 0.0006435800000000 ] - [ 0.0001604300000000, 0.0012688100000000, -0.0004757300000000 ] - [ 0.0001129100000000, 0.0002403500000000, 0.0007135300000000 ] - [ 0.0001968800000000, 0.0002415200000000, -0.0005694500000000 ] - [ 0.0000841700000000, 0.0010372200000000, 0.0001776600000000 ] - [ -0.0000236400000000, -0.0008851300000000, 0.0004253500000000 ] - [ 0.0002452100000000, -0.0018268700000000, -0.0000200200000000 ] - [ -0.0000833400000000, 0.0008986700000000, 0.0001138600000000 ] - [ 0.0000316900000000, 0.0005331600000000, -0.0000762000000000 ] - [ -0.0000227700000000, 0.0005288800000000, 0.0001600200000000 ] - [ 0.0000158700000000, 0.0017499500000000, -0.0007595700000000 ] - [ -0.0030553600000000, 0.0012935000000000, 0.0063255500000000 ] - [ 0.0096555300000000, -0.0015633500000000, 0.0173706200000000 ] - [ 0.0001722200000000, 0.0015952900000000, -0.0002025300000000 ] - [ 0.0005596900000000, 0.0003736300000000, -0.0010660200000000 ] - [ -0.0003114800000000, 0.0003720000000000, 0.0005199800000000 ] - [ -0.0001709600000000, -0.0010265600000000, -0.0002662700000000 ] - [ -0.0002949100000000, 0.0010240100000000, -0.0000076000000000 ] - [ -0.0004923500000000, 0.0013319200000000, -0.0002162500000000 ] - [ 0.0039503500000000, 0.0019386000000000, 0.0012374300000000 ] - [ -0.0009915700000000, -0.0015012400000000, -0.0000139800000000 ] - [ 0.0003380200000000, 0.0009851600000000, -0.0001094400000000 ] - [ 0.0010906400000000, -0.0023616600000000, 0.0004633100000000 ] - [ -0.0003183000000000, 0.0010099900000000, 0.0000549400000000 ] - [ -0.0000073800000000, 0.0015691200000000, -0.0000195300000000 ] - [ -0.0074627300000000, 0.0005433600000000, -0.0107831500000000 ] - [ 0.0017510200000000, -0.0052909200000000, -0.0027190700000000 ] - [ 0.0000809200000000, 0.0010839900000000, -0.0001495500000000 ] - [ 0.0010374900000000, 0.0023076000000000, 0.0009159200000000 ] - [ -0.0001750600000000, -0.0010617800000000, -0.0002968600000000 ] - [ 0.0001073700000000, -0.0002636800000000, 0.0002436600000000 ] - [ -0.0000136500000000, -0.0005993200000000, -0.0000741900000000 ] - [ 0.0006877200000000, -0.0010912000000000, -0.0002600500000000 ] - [ -0.0004693200000000, -0.0011686200000000, 0.0001841800000000 ] - [ 0.0078300400000000, 0.0267113500000000, 0.0001824000000000 ] - [ 0.0003610300000000, -0.0017534100000000, 0.0003795500000000 ] - [ -0.0003759000000000, -0.0010048400000000, 0.0003461000000000 ] - [ 0.0021429200000000, 0.0006316500000000, -0.0014357900000000 ] - [ -0.0001733300000000, 0.0013212500000000, -0.0000595000000000 ] - [ -0.0000869300000000, -0.0010265700000000, -0.0000259800000000 ] - [ 0.0016199800000000, 0.0179955700000000, 0.0026465800000000 ] - [ 0.0000932800000000, -0.0014192600000000, 0.0000709500000000 ] - [ 0.0004021600000000, -0.0010103700000000, 0.0002150000000000 ] - [ -0.0024616300000000, 0.0004414900000000, 0.0001519000000000 ] - [ -0.0000054200000000, -0.0003173200000000, -0.0000385600000000 ] - [ -0.0004120000000000, 0.0002008200000000, 0.0006810800000000 ] - [ -0.0005929600000000, -0.0015767900000000, 0.0013746100000000 ] - [ 0.0005082800000000, -0.0012144300000000, -0.0001984900000000 ] - [ 0.0003220400000000, 0.0006177900000000, -0.0002392100000000 ] - [ -0.0001319500000000, -0.0004807200000000, 0.0000393300000000 ] - [ 0.0011152300000000, 0.0025032800000000, 0.0020715600000000 ] - [ -0.0000781000000000, -0.0005480700000000, -0.0001177000000000 ] - [ 0.0001064900000000, 0.0005569800000000, 0.0009941500000000 ] - [ 0.0000329500000000, -0.0002520800000000, -0.0001762600000000 ] - [ -0.0021530800000000, 0.0063227900000000, 0.0013853900000000 ] - [ 0.0000995900000000, -0.0006942100000000, 0.0000549400000000 ] - [ 0.0007214400000000, -0.0011455000000000, 0.0010616500000000 ] - [ -0.0004260400000000, -0.0009194200000000, -0.0004556600000000 ] - [ 0.0001308700000000, 0.0005872900000000, 0.0006033800000000 ] - [ -0.0001254900000000, -0.0004899100000000, -0.0000028500000000 ] - [ 0.0000006000000000, -0.0001089900000000, -0.0002091000000000 ] - [ 0.0000095600000000, -0.0002342700000000, 0.0001136500000000 ] - [ 0.0002851700000000, 0.0005227600000000, 0.0003913500000000 ] - [ -0.0000188500000000, -0.0002159900000000, -0.0000960700000000 ] - [ 0.0001082400000000, 0.0008096200000000, -0.0006616900000000 ] - [ -0.0000008000000000, -0.0003188200000000, 0.0000335400000000 ] - [ -0.0007173400000000, -0.0011120500000000, -0.0021851900000000 ] - [ 0.0000673100000000, -0.0010189100000000, 0.0004476700000000 ] - [ 0.0001295100000000, 0.0000248100000000, -0.0000180400000000 ] - [ -0.0001727100000000, -0.0005031500000000, -0.0003708600000000 ] - [ -0.0003452000000000, -0.0005419200000000, -0.0001498900000000 ] - [ -0.0016377200000000, -0.0002462200000000, 0.0005712200000000 ] - [ 0.0036393400000000, 0.0058806200000000, 0.0050318700000000 ] - [ 0.0000051800000000, -0.0005055200000000, -0.0000109800000000 ] - [ 0.0010785100000000, -0.0008831500000000, -0.0001880500000000 ] - [ -0.0002904600000000, -0.0006347300000000, 0.0002557700000000 ] - [ 0.0001328800000000, -0.0002139400000000, 0.0004361000000000 ] - [ -0.0000208800000000, -0.0003367200000000, 0.0000962300000000 ] - [ -0.0000756300000000, -0.0000142700000000, 0.0001053200000000 ] - [ 0.0000042300000000, -0.0002406200000000, -0.0003599400000000 ] - [ 0.0000428600000000, 0.0005195100000000, -0.0003801900000000 ] - [ 0.0000337100000000, -0.0004457600000000, 0.0001283100000000 ] - [ 0.0002994400000000, -0.0003986300000000, 0.0001867600000000 ] - [ -0.0003406700000000, 0.0005670600000000, -0.0009717900000000 ] - [ -0.0001615600000000, 0.0001151200000000, -0.0002446400000000 ] - [ 0.0000545400000000, -0.0002177200000000, 0.0000837800000000 ] - [ -0.0007196400000000, 0.0011434600000000, -0.0003412900000000 ] - [ 0.0000370900000000, -0.0004918900000000, 0.0003120200000000 ] - [ -0.0000350300000000, -0.0004159500000000, -0.0001427400000000 ] - [ -0.0001621000000000, 0.0002309300000000, 0.0003314100000000 ] - [ -0.0000119600000000, -0.0003737500000000, 0.0000380100000000 ] - [ 0.0001041600000000, 0.0002615600000000, -0.0001205000000000 ] - [ 0.0000453400000000, -0.0001889500000000, 0.0001764700000000 ] - [ -0.0004336600000000, 0.0004990000000000, -0.0009506900000000 ] - [ 0.0001250900000000, -0.0004795900000000, -0.0000826500000000 ] - [ 0.0002482300000000, 0.0001386800000000, 0.0000664500000000 ] - [ -0.0007279400000000, 0.0013187500000000, 0.0003679300000000 ] - [ 0.0000455400000000, -0.0005431100000000, -0.0000110000000000 ] - [ -0.0001575300000000, -0.0003598500000000, 0.0000918400000000 ] - [ 0.0001835600000000, 0.0000382200000000, 0.0000061900000000 ] - [ 0.0000793100000000, 0.0011818500000000, -0.0000441700000000 ] - [ 0.0000003700000000, -0.0003411100000000, 0.0000051200000000 ] - [ -0.0000260400000000, -0.0005135200000000, -0.0001704600000000 ] - [ -0.0025013700000000, 0.0090989700000000, -0.0004499700000000 ] - [ -0.0000438100000000, -0.0002680600000000, -0.0001050900000000 ] - [ 0.0001019100000000, 0.0002137800000000, 0.0001228000000000 ] - [ -0.0002741700000000, 0.0004355600000000, 0.0002283800000000 ] - [ -0.0000219800000000, -0.0005955700000000, -0.0002568400000000 ] - [ 0.0011008500000000, 0.0034288100000000, 0.0006403600000000 ] - [ -0.0000627900000000, -0.0005596800000000, -0.0003106000000000 ] - [ -0.0007873200000000, -0.0004430800000000, -0.0008886400000000 ] - [ -0.0001408500000000, -0.0002859700000000, 0.0000222300000000 ] - [ -0.0009771500000000, -0.0005193700000000, 0.0003700500000000 ] - [ 0.0001115400000000, -0.0002598900000000, -0.0000579000000000 ] - [ -0.0005128100000000, 0.0024997500000000, -0.0004216900000000 ] - [ 0.0001831500000000, -0.0004270200000000, 0.0001512900000000 ] - [ 0.0000750300000000, 0.0003179500000000, -0.0000113300000000 ] - [ 0.0000348400000000, -0.0005886900000000, 0.0002237700000000 ] - [ 0.0001518900000000, 0.0006111500000000, 0.0000316000000000 ] - [ -0.0001244000000000, -0.0002757400000000, -0.0001241200000000 ] - [ 0.0001424800000000, -0.0005643000000000, -0.0000275000000000 ] - [ -0.0000143600000000, 0.0001578300000000, 0.0001834400000000 ] - [ -0.0001586900000000, 0.0002050100000000, 0.0000206500000000 ] - [ 0.0002083500000000, -0.0002515200000000, 0.0000427900000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001021400000000, 0.0004394600000000, 0.0003489800000000 ] - [ -0.0001562400000000, -0.0006647800000000, 0.0000367900000000 ] - [ 0.0001118800000000, -0.0002040600000000, -0.0009372800000000 ] - [ 0.0002149900000000, -0.0004194200000000, 0.0004633200000000 ] - [ 0.0190732800000000, 0.0917499000000000, 0.0139498900000000 ] - [ -0.0004084000000000, -0.0017188700000000, -0.0000513000000000 ] - [ -0.0001516100000000, 0.0013730500000000, 0.0001471700000000 ] - [ 0.0000149600000000, -0.0009370400000000, -0.0001714200000000 ] - [ 0.0003502300000000, -0.0010865800000000, -0.0004344600000000 ] - [ -0.0020759000000000, -0.0016411700000000, 0.0009192000000000 ] - [ -0.0008608000000000, 0.0047324100000000, -0.0008068000000000 ] - [ 0.0003128400000000, -0.0012751800000000, 0.0000184000000000 ] - [ -0.0001290800000000, -0.0005308400000000, 0.0000894600000000 ] - [ -0.0000736600000000, 0.0000661500000000, -0.0000436600000000 ] - [ -0.0105729900000000, 0.0001013200000000, 0.0060796200000000 ] - [ 0.0003713600000000, -0.0014637600000000, 0.0001218000000000 ] - [ 0.0017986300000000, -0.0007609600000000, 0.0023990200000000 ] - [ -0.0005224500000000, -0.0013333400000000, -0.0007244000000000 ] - [ 0.0029145600000000, -0.0210410900000000, 0.0011519800000000 ] - [ -0.0000658800000000, -0.0032935200000000, 0.0003492300000000 ] - [ 0.0026232900000000, -0.0008955400000000, -0.0009327500000000 ] - [ -0.0000182200000000, -0.0009758100000000, 0.0001899900000000 ] - [ -0.0001056400000000, -0.0003124000000000, -0.0008147000000000 ] - [ -0.0001858000000000, -0.0003135600000000, 0.0004621300000000 ] - [ -0.0002252300000000, -0.0007433800000000, 0.0001067200000000 ] - [ -0.0001161100000000, 0.0011796200000000, -0.0001375800000000 ] - [ -0.0002607500000000, 0.0017566300000000, 0.0001256600000000 ] - [ 0.0000668700000000, -0.0009700800000000, -0.0000117100000000 ] - [ -0.0004235700000000, -0.0008844500000000, 0.0000693600000000 ] - [ -0.0003722700000000, -0.0008853400000000, -0.0001681500000000 ] - [ 0.0000023000000000, -0.0016788100000000, 0.0006565500000000 ] - [ 0.0030586700000000, -0.0012171000000000, -0.0063835600000000 ] - [ -0.0093021200000000, 0.0019745900000000, -0.0174406000000000 ] - [ 0.0002220400000000, -0.0012349900000000, 0.0002062800000000 ] - [ -0.0001624100000000, -0.0007286400000000, 0.0010817700000000 ] - [ 0.0007035200000000, -0.0007294600000000, -0.0005092100000000 ] - [ -0.0002239700000000, 0.0013880400000000, 0.0002625600000000 ] - [ -0.0001035200000000, -0.0006666000000000, -0.0000008700000000 ] - [ 0.0004769300000000, -0.0012618200000000, 0.0003208400000000 ] - [ -0.0039611800000000, -0.0018687700000000, -0.0011314100000000 ] - [ 0.0011380600000000, 0.0011982100000000, -0.0002736000000000 ] - [ -0.0001977900000000, -0.0012821000000000, -0.0001739500000000 ] - [ -0.0012343300000000, 0.0020671100000000, -0.0001774600000000 ] - [ 0.0001782300000000, -0.0013039200000000, 0.0002307500000000 ] - [ 0.0001479200000000, -0.0012749900000000, -0.0002633900000000 ] - [ 0.0075637500000000, -0.0003032900000000, 0.0103887900000000 ] - [ -0.0017796800000000, 0.0052108100000000, 0.0026646300000000 ] - [ -0.0000676400000000, -0.0011535400000000, 0.0000442200000000 ] - [ -0.0009761900000000, -0.0021762500000000, -0.0011030500000000 ] - [ 0.0002378200000000, 0.0011922300000000, 0.0001133700000000 ] - [ -0.0001713800000000, 0.0001293100000000, -0.0000645900000000 ] - [ -0.0000501100000000, 0.0004712500000000, 0.0002530000000000 ] - [ -0.0006227600000000, 0.0009554500000000, 0.0000798700000000 ] - [ 0.0005340700000000, 0.0010399900000000, -0.0003643800000000 ] - [ -0.0087130000000000, -0.0278256700000000, -0.0001315100000000 ] - [ -0.0004231900000000, 0.0018827400000000, -0.0001957700000000 ] - [ 0.0004429700000000, 0.0011346900000000, -0.0005309600000000 ] - [ -0.0020694100000000, -0.0004961700000000, 0.0012458700000000 ] - [ 0.0001046100000000, -0.0014543200000000, 0.0002367700000000 ] - [ 0.0000203100000000, 0.0008967000000000, 0.0002071500000000 ] - [ -0.0015835700000000, -0.0180676600000000, -0.0028544000000000 ] - [ -0.0000286300000000, 0.0012891500000000, -0.0002518700000000 ] - [ -0.0004679100000000, 0.0011398700000000, -0.0000316200000000 ] - [ 0.0023987600000000, -0.0003107100000000, 0.0000309800000000 ] - [ 0.0000039800000000, 0.0003318700000000, 0.0000376100000000 ] - [ 0.0004162500000000, -0.0001833500000000, -0.0006802000000000 ] - [ 0.0005456000000000, 0.0016467300000000, -0.0012029500000000 ] - [ -0.0005634500000000, 0.0012720700000000, 0.0003782400000000 ] - [ -0.0003776900000000, -0.0006834100000000, 0.0004168700000000 ] - [ 0.0000768200000000, 0.0004232400000000, 0.0001401000000000 ] - [ -0.0010764500000000, -0.0026119800000000, -0.0019845600000000 ] - [ 0.0000773200000000, 0.0005308400000000, 0.0001183500000000 ] - [ -0.0001370500000000, -0.0002029600000000, -0.0011581600000000 ] - [ -0.0000640900000000, 0.0006063400000000, 0.0000182400000000 ] - [ 0.0023356800000000, -0.0066962500000000, -0.0016972500000000 ] - [ -0.0000836800000000, 0.0005027900000000, -0.0002104200000000 ] - [ -0.0007215300000000, 0.0010006800000000, -0.0010654100000000 ] - [ 0.0004227100000000, 0.0007700000000000, 0.0004510200000000 ] - [ -0.0001476500000000, -0.0007807800000000, -0.0004487600000000 ] - [ 0.0001088100000000, 0.0002985100000000, 0.0001589700000000 ] - [ -0.0000019300000000, 0.0001239300000000, 0.0002073100000000 ] - [ -0.0000091600000000, 0.0002506800000000, -0.0001144100000000 ] - [ -0.0002538300000000, -0.0001702800000000, -0.0002322300000000 ] - [ 0.0000494300000000, 0.0005701300000000, 0.0002533800000000 ] - [ -0.0001040700000000, -0.0006654900000000, 0.0006631400000000 ] - [ -0.0000003600000000, 0.0004677500000000, -0.0000324500000000 ] - [ 0.0006921600000000, 0.0007622400000000, 0.0020394500000000 ] - [ -0.0000983600000000, 0.0006634500000000, -0.0006006100000000 ] - [ -0.0000744400000000, 0.0000336600000000, -0.0001604900000000 ] - [ 0.0002264300000000, 0.0005629600000000, 0.0001928400000000 ] - [ 0.0003436100000000, 0.0005417100000000, 0.0001502400000000 ] - [ 0.0017023800000000, 0.0003068100000000, -0.0005963800000000 ] - [ -0.0035318900000000, -0.0058194400000000, -0.0048851800000000 ] - [ -0.0000057800000000, 0.0004918500000000, 0.0000114800000000 ] - [ -0.0011017900000000, 0.0010760100000000, 0.0003498000000000 ] - [ 0.0002723300000000, 0.0008273900000000, -0.0000988800000000 ] - [ -0.0001021700000000, -0.0001399000000000, -0.0002796000000000 ] - [ 0.0000504000000000, -0.0000177300000000, 0.0000605200000000 ] - [ 0.0000929400000000, 0.0002047700000000, -0.0002629500000000 ] - [ 0.0000129900000000, 0.0004321100000000, 0.0002028700000000 ] - [ 0.0000120800000000, -0.0005785000000000, 0.0002005400000000 ] - [ 0.0000203600000000, 0.0003860500000000, -0.0003062300000000 ] - [ -0.0003000700000000, 0.0003998700000000, -0.0001870800000000 ] - [ 0.0003390200000000, -0.0005660800000000, 0.0009703400000000 ] - [ 0.0001632300000000, -0.0001007900000000, 0.0002463600000000 ] - [ -0.0000540300000000, 0.0002322200000000, -0.0000813700000000 ] - [ 0.0006625000000000, -0.0010829900000000, 0.0005185400000000 ] - [ -0.0000944400000000, 0.0005519000000000, -0.0001336100000000 ] - [ -0.0000218700000000, 0.0003564000000000, 0.0003193100000000 ] - [ 0.0001044700000000, -0.0002900500000000, -0.0001533700000000 ] - [ 0.0000110300000000, 0.0003572900000000, -0.0000378700000000 ] - [ -0.0001035900000000, -0.0002790700000000, 0.0001208600000000 ] - [ -0.0000787700000000, 0.0005434200000000, -0.0003339200000000 ] - [ 0.0004048300000000, -0.0001421900000000, 0.0007962400000000 ] - [ -0.0001083400000000, 0.0002862300000000, -0.0000725300000000 ] - [ -0.0002314200000000, -0.0003318900000000, -0.0002199400000000 ] - [ 0.0007286200000000, -0.0014693700000000, -0.0003721600000000 ] - [ -0.0000458200000000, 0.0003962200000000, 0.0000102200000000 ] - [ 0.0001407800000000, 0.0001657600000000, 0.0000647400000000 ] - [ -0.0001982500000000, -0.0002293900000000, 0.0001497100000000 ] - [ -0.0000847000000000, -0.0011643700000000, 0.0000386600000000 ] - [ 0.0000006400000000, 0.0003587000000000, -0.0000049100000000 ] - [ 0.0000593300000000, 0.0008668400000000, 0.0003285900000000 ] - [ 0.0023258800000000, -0.0081869800000000, 0.0006199400000000 ] - [ 0.0000446300000000, 0.0004151800000000, 0.0001066900000000 ] - [ -0.0001055400000000, -0.0000612600000000, -0.0001250600000000 ] - [ 0.0002401300000000, -0.0007873500000000, -0.0003833500000000 ] - [ -0.0000112200000000, 0.0002424000000000, 0.0001005200000000 ] - [ -0.0010377700000000, -0.0033632700000000, -0.0008257800000000 ] - [ 0.0001204100000000, 0.0006203900000000, 0.0001331200000000 ] - [ 0.0007851900000000, 0.0004419000000000, 0.0008935900000000 ] - [ 0.0001413200000000, 0.0002868200000000, -0.0000220400000000 ] - [ 0.0009853000000000, 0.0005111000000000, -0.0003741200000000 ] - [ -0.0001110700000000, 0.0002453900000000, 0.0000579500000000 ] - [ 0.0005087500000000, -0.0023187000000000, 0.0005846600000000 ] - [ -0.0001998100000000, 0.0006205900000000, 0.0000052000000000 ] - [ -0.0000430500000000, -0.0006696000000000, 0.0001620300000000 ] - [ -0.0000020600000000, 0.0002358100000000, -0.0000662500000000 ] - [ -0.0001357500000000, -0.0004197200000000, -0.0001895300000000 ] - [ 0.0001413500000000, 0.0004695700000000, -0.0000334100000000 ] - [ -0.0000859100000000, 0.0005045700000000, -0.0001494600000000 ] - [ 0.0000711400000000, -0.0002091500000000, -0.0003657600000000 ] - [ 0.0001583700000000, -0.0002052900000000, -0.0000217400000000 ] - [ -0.0002077400000000, 0.0002517900000000, -0.0000436200000000 ]- atom: 5 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ -0.0004969200000000, 0.0004222500000000, 0.0021493700000000 ] - [ -0.0001325600000000, 0.0002534900000000, 0.0004780300000000 ] - [ 0.0003090600000000, 0.0008876300000000, 0.0005785600000000 ] - [ -0.0001056500000000, -0.0010778500000000, 0.0012058200000000 ] - [ -0.0002132600000000, -0.0080941000000000, -0.0867469100000000 ] - [ -0.0001578400000000, -0.0001896200000000, -0.0002092000000000 ] - [ 0.0006535700000000, -0.0003043700000000, -0.0004389700000000 ] - [ 0.0000169900000000, 0.0000845200000000, -0.0001554800000000 ] - [ 0.0001316400000000, 0.0006380400000000, 0.0000701400000000 ] - [ -0.0015098500000000, -0.0013628500000000, 0.0001445200000000 ] - [ 0.0027224200000000, -0.0006449400000000, 0.0039302100000000 ] - [ 0.0002516700000000, -0.0001928700000000, 0.0000636800000000 ] - [ -0.0002498400000000, 0.0002419900000000, 0.0003596000000000 ] - [ -0.0004767400000000, 0.0000978700000000, 0.0027949100000000 ] - [ -0.0079459000000000, -0.0065027800000000, -0.0005980000000000 ] - [ -0.0000982000000000, 0.0002173100000000, -0.0001721400000000 ] - [ 0.0014348900000000, -0.0017318100000000, 0.0024024900000000 ] - [ 0.0005074300000000, 0.0003170800000000, 0.0001325700000000 ] - [ 0.0021592100000000, -0.0010769500000000, -0.0044111400000000 ] - [ -0.0000395600000000, 0.0002389300000000, -0.0005557200000000 ] - [ -0.0028291500000000, 0.0023262600000000, 0.0001176100000000 ] - [ 0.0000907500000000, -0.0001380200000000, -0.0000002000000000 ] - [ -0.0002216600000000, -0.0000051900000000, 0.0004382500000000 ] - [ 0.0003003200000000, -0.0004152300000000, 0.0000733400000000 ] - [ -0.0000395300000000, 0.0001130200000000, 0.0003039700000000 ] - [ 0.0006546400000000, 0.0002929300000000, 0.0016350300000000 ] - [ -0.0009320200000000, -0.0000699400000000, 0.0018687700000000 ] - [ -0.0000367400000000, -0.0000357000000000, 0.0002542400000000 ] - [ -0.0002679100000000, -0.0000665200000000, -0.0007198100000000 ] - [ -0.0002423100000000, -0.0003091200000000, -0.0007105300000000 ] - [ -0.0003100700000000, -0.0003359400000000, 0.0001293400000000 ] - [ -0.0006722900000000, 0.0056024300000000, 0.0020298700000000 ] - [ 0.0125755000000000, 0.0140665700000000, 0.0031069200000000 ] - [ 0.0001490400000000, -0.0000117300000000, -0.0000933000000000 ] - [ 0.0000814500000000, -0.0008167200000000, 0.0003622900000000 ] - [ -0.0003190800000000, 0.0009643700000000, 0.0002456700000000 ] - [ 0.0003396600000000, 0.0004342100000000, 0.0014257100000000 ] - [ -0.0001795600000000, 0.0001495300000000, 0.0001999900000000 ] - [ 0.0003509300000000, -0.0000212400000000, -0.0007165500000000 ] - [ 0.0021378900000000, 0.0002104600000000, -0.0044865800000000 ] - [ -0.0033514400000000, 0.0015331400000000, 0.0033967500000000 ] - [ 0.0000032600000000, -0.0001778500000000, -0.0001484200000000 ] - [ -0.0001850000000000, 0.0002458500000000, -0.0011635400000000 ] - [ -0.0001344500000000, -0.0000795500000000, 0.0000172000000000 ] - [ 0.0000220100000000, 0.0002425100000000, -0.0002281200000000 ] - [ 0.0085543700000000, -0.0077755100000000, 0.0018584700000000 ] - [ -0.0091914300000000, -0.0019123100000000, 0.0200832400000000 ] - [ 0.0000676900000000, -0.0000132300000000, 0.0000019600000000 ] - [ -0.0017275200000000, 0.0001837100000000, -0.0012537500000000 ] - [ -0.0001564700000000, -0.0000924100000000, -0.0001590800000000 ] - [ 0.0001649900000000, -0.0003638200000000, -0.0008275700000000 ] - [ 0.0003996300000000, -0.0001770400000000, -0.0011748500000000 ] - [ 0.0009944800000000, -0.0011402700000000, 0.0001316800000000 ] - [ 0.0001183000000000, 0.0004795900000000, 0.0000973600000000 ] - [ -0.0017588700000000, 0.0021712000000000, 0.0155155600000000 ] - [ 0.0000055500000000, -0.0000534200000000, 0.0003598500000000 ] - [ 0.0001769900000000, 0.0002020100000000, -0.0003604200000000 ] - [ 0.0011391400000000, -0.0022949100000000, -0.0029396500000000 ] - [ -0.0005128900000000, -0.0004833500000000, -0.0020168200000000 ] - [ -0.0000184600000000, -0.0000726400000000, -0.0000610900000000 ] - [ 0.0006727400000000, -0.0030066900000000, 0.0255681200000000 ] - [ 0.0000305900000000, -0.0000580000000000, 0.0000120900000000 ] - [ -0.0000817400000000, -0.0001432100000000, 0.0005154200000000 ] - [ 0.0000025100000000, 0.0001661800000000, 0.0018224400000000 ] - [ -0.0000141100000000, -0.0000447100000000, -0.0000561400000000 ] - [ 0.0013238400000000, 0.0007529800000000, -0.0009575700000000 ] - [ -0.0001002900000000, 0.0002970200000000, 0.0001330600000000 ] - [ 0.0000855900000000, -0.0002871000000000, 0.0003688600000000 ] - [ -0.0000056400000000, -0.0014988800000000, -0.0012164700000000 ] - [ 0.0000269800000000, -0.0000103100000000, 0.0000483400000000 ] - [ -0.0014105400000000, 0.0022861900000000, -0.0010791100000000 ] - [ 0.0000068600000000, -0.0001353700000000, 0.0000502100000000 ] - [ 0.0000289600000000, 0.0011323700000000, -0.0010541700000000 ] - [ -0.0000376600000000, 0.0000747400000000, -0.0001171000000000 ] - [ -0.0040425400000000, 0.0025102100000000, 0.0057601400000000 ] - [ -0.0000842800000000, -0.0000427600000000, -0.0000316100000000 ] - [ -0.0000466600000000, 0.0007481800000000, 0.0000231700000000 ] - [ -0.0002770800000000, -0.0008854800000000, 0.0001948900000000 ] - [ 0.0002102200000000, -0.0001233200000000, -0.0007795500000000 ] - [ -0.0000294800000000, -0.0001714600000000, 0.0000276800000000 ] - [ -0.0000645900000000, -0.0002305100000000, -0.0003095000000000 ] - [ -0.0000719800000000, 0.0001416100000000, -0.0002544300000000 ] - [ 0.0003476300000000, 0.0002626000000000, 0.0007761000000000 ] - [ 0.0000457800000000, 0.0002555300000000, 0.0002265100000000 ] - [ 0.0011365700000000, -0.0005815200000000, -0.0008903800000000 ] - [ -0.0000311400000000, 0.0001101800000000, -0.0000739300000000 ] - [ 0.0002098400000000, -0.0009111300000000, 0.0005875000000000 ] - [ 0.0000573400000000, 0.0000765500000000, 0.0002888000000000 ] - [ -0.0002276500000000, 0.0003106500000000, 0.0002316300000000 ] - [ -0.0000820900000000, 0.0000713600000000, 0.0000394400000000 ] - [ -0.0000714800000000, -0.0001100100000000, 0.0000391700000000 ] - [ -0.0006511800000000, 0.0004537200000000, 0.0047587900000000 ] - [ 0.0035347600000000, 0.0039980600000000, 0.0077482700000000 ] - [ -0.0000354800000000, 0.0000967100000000, 0.0000402900000000 ] - [ 0.0001189300000000, -0.0008147400000000, 0.0004593800000000 ] - [ 0.0000198700000000, 0.0006036200000000, 0.0002806600000000 ] - [ -0.0002331900000000, 0.0000354800000000, -0.0007569100000000 ] - [ -0.0000732500000000, -0.0001235800000000, -0.0001650500000000 ] - [ 0.0002881900000000, 0.0002125400000000, -0.0003421300000000 ] - [ -0.0000309500000000, -0.0003280300000000, -0.0005060500000000 ] - [ 0.0003070100000000, 0.0000448200000000, -0.0003721000000000 ] - [ 0.0000442200000000, 0.0000652400000000, -0.0001867400000000 ] - [ -0.0000251500000000, 0.0000482500000000, -0.0000790800000000 ] - [ -0.0001308300000000, -0.0000325700000000, -0.0013150600000000 ] - [ -0.0001827700000000, -0.0000588500000000, -0.0001954000000000 ] - [ 0.0000223900000000, 0.0001384400000000, -0.0000332700000000 ] - [ -0.0005482200000000, -0.0001260400000000, 0.0005501000000000 ] - [ -0.0000601200000000, 0.0000011100000000, 0.0001525000000000 ] - [ 0.0000158600000000, -0.0000710300000000, -0.0000055600000000 ] - [ 0.0000652800000000, -0.0001474200000000, -0.0001408800000000 ] - [ 0.0000453600000000, 0.0000187100000000, 0.0000798100000000 ] - [ 0.0003917400000000, -0.0002993100000000, 0.0004548800000000 ] - [ -0.0000572700000000, 0.0002684700000000, -0.0001060100000000 ] - [ -0.0005743000000000, -0.0000387900000000, -0.0006173500000000 ] - [ 0.0000586300000000, -0.0001822300000000, -0.0000466300000000 ] - [ -0.0008228700000000, 0.0002879800000000, 0.0004313500000000 ] - [ 0.0008913100000000, 0.0001190500000000, 0.0005280400000000 ] - [ 0.0000272900000000, -0.0000933500000000, 0.0000449800000000 ] - [ 0.0000065500000000, -0.0001138800000000, -0.0000294800000000 ] - [ 0.0004287400000000, -0.0005708600000000, -0.0005925900000000 ] - [ -0.0009991300000000, -0.0002915000000000, -0.0013355700000000 ] - [ -0.0000104600000000, 0.0000208600000000, -0.0000279900000000 ] - [ 0.0000523700000000, 0.0002413700000000, 0.0002356800000000 ] - [ -0.0000393000000000, 0.0012895700000000, 0.0053462500000000 ] - [ -0.0000007600000000, -0.0000035400000000, -0.0000608300000000 ] - [ -0.0006050100000000, 0.0006120800000000, -0.0011187700000000 ] - [ 0.0002621900000000, -0.0001093500000000, -0.0000577600000000 ] - [ 0.0000001800000000, -0.0001998300000000, -0.0000921200000000 ] - [ -0.0000970900000000, -0.0019508700000000, 0.0011226500000000 ] - [ 0.0000371800000000, 0.0000604000000000, -0.0000609100000000 ] - [ -0.0003750700000000, -0.0003348400000000, 0.0006787300000000 ] - [ 0.0000969300000000, 0.0001189500000000, 0.0001244900000000 ] - [ 0.0000244500000000, 0.0001327600000000, 0.0001470600000000 ] - [ 0.0001004100000000, -0.0000865000000000, 0.0001531600000000 ] - [ -0.0008050800000000, -0.0003287700000000, 0.0017736200000000 ] - [ 0.0000248500000000, 0.0000746600000000, 0.0001156100000000 ] - [ -0.0002612500000000, 0.0002037000000000, -0.0018542200000000 ] - [ 0.0000060800000000, -0.0001668800000000, 0.0000061900000000 ] - [ 0.0001328800000000, 0.0000758900000000, -0.0004035600000000 ] - [ 0.0000058500000000, 0.0000851400000000, -0.0000951800000000 ] - [ 0.0000460500000000, -0.0000722800000000, -0.0001026100000000 ] - [ 0.0001970700000000, 0.0015934200000000, -0.0015897000000000 ] - [ -0.0001810200000000, 0.0001534900000000, -0.0003044600000000 ] - [ 0.0000403300000000, -0.0000424000000000, -0.0001472700000000 ]- atom: 5 displacement: [ 0.0028919147919272, 0.0000000000000000, -0.0095727127208661 ] forces: - [ 0.0003507500000000, -0.0001417400000000, -0.0018642700000000 ] - [ -0.0000152100000000, 0.0000369200000000, -0.0001919500000000 ] - [ -0.0003179900000000, -0.0009602400000000, -0.0004730200000000 ] - [ 0.0000955200000000, 0.0010112600000000, -0.0011031600000000 ] - [ 0.0001433300000000, 0.0075770300000000, 0.0880802900000000 ] - [ -0.0002381900000000, -0.0001695600000000, 0.0001932700000000 ] - [ -0.0006502100000000, 0.0003724000000000, 0.0003375500000000 ] - [ -0.0000132300000000, -0.0000148300000000, 0.0000560200000000 ] - [ 0.0002671700000000, -0.0002757400000000, -0.0000514200000000 ] - [ 0.0018982800000000, 0.0017160000000000, -0.0001310900000000 ] - [ -0.0023243400000000, 0.0002862700000000, -0.0039181200000000 ] - [ 0.0001416100000000, -0.0001665000000000, -0.0000478700000000 ] - [ -0.0001459700000000, 0.0001168300000000, -0.0003792000000000 ] - [ 0.0000859800000000, 0.0002647400000000, -0.0028038000000000 ] - [ 0.0079168500000000, 0.0064984500000000, 0.0006384900000000 ] - [ 0.0000916800000000, -0.0001461300000000, 0.0002728300000000 ] - [ -0.0012906700000000, 0.0014430900000000, -0.0026909300000000 ] - [ -0.0003532300000000, -0.0005986600000000, -0.0004154800000000 ] - [ -0.0023334200000000, 0.0008492400000000, 0.0047002100000000 ] - [ -0.0001134400000000, -0.0005257900000000, 0.0008399100000000 ] - [ 0.0029733900000000, -0.0020391100000000, -0.0004034000000000 ] - [ 0.0000607200000000, 0.0004247300000000, -0.0002855300000000 ] - [ 0.0002261500000000, -0.0000627400000000, -0.0005337700000000 ] - [ -0.0002951900000000, 0.0003474100000000, -0.0001739500000000 ] - [ -0.0001136400000000, 0.0001702300000000, -0.0000177900000000 ] - [ -0.0008097000000000, -0.0000100500000000, -0.0013480200000000 ] - [ 0.0009248300000000, -0.0000017000000000, -0.0017702200000000 ] - [ 0.0000280300000000, -0.0000322200000000, -0.0001543800000000 ] - [ -0.0001302000000000, -0.0002929000000000, 0.0007002500000000 ] - [ -0.0001578800000000, -0.0000495600000000, 0.0006937700000000 ] - [ 0.0003175200000000, 0.0004117100000000, -0.0002308400000000 ] - [ 0.0006987700000000, -0.0054942400000000, -0.0021251800000000 ] - [ -0.0122369900000000, -0.0137629800000000, -0.0030599500000000 ] - [ 0.0002513300000000, 0.0003769100000000, 0.0001121300000000 ] - [ 0.0003236200000000, 0.0004487300000000, -0.0003520100000000 ] - [ 0.0007140800000000, -0.0013182600000000, -0.0002317600000000 ] - [ -0.0007398700000000, -0.0000731100000000, -0.0014422400000000 ] - [ -0.0002207300000000, 0.0002129000000000, -0.0002150900000000 ] - [ -0.0003601700000000, 0.0000937700000000, 0.0008116000000000 ] - [ -0.0021453800000000, -0.0001412000000000, 0.0045839600000000 ] - [ 0.0034812800000000, -0.0018143700000000, -0.0036666400000000 ] - [ 0.0001507200000000, -0.0001044400000000, -0.0001370100000000 ] - [ 0.0000287500000000, -0.0005297800000000, 0.0014438700000000 ] - [ -0.0000201200000000, -0.0002015900000000, 0.0002639600000000 ] - [ 0.0001328600000000, 0.0000424900000000, -0.0000554500000000 ] - [ -0.0084536300000000, 0.0080955900000000, -0.0021378800000000 ] - [ 0.0092981700000000, 0.0018754800000000, -0.0205191700000000 ] - [ -0.0000595000000000, -0.0000543400000000, -0.0000985900000000 ] - [ 0.0017927100000000, -0.0000479700000000, 0.0010732400000000 ] - [ 0.0002180400000000, 0.0002220200000000, -0.0000202600000000 ] - [ -0.0002254500000000, 0.0002354400000000, 0.0010065300000000 ] - [ -0.0004619000000000, 0.0000381000000000, 0.0013530100000000 ] - [ -0.0009313100000000, 0.0010047300000000, -0.0003113300000000 ] - [ -0.0000541000000000, -0.0006102700000000, -0.0002763100000000 ] - [ 0.0016692400000000, -0.0020355800000000, -0.0152788700000000 ] - [ -0.0000690600000000, 0.0001843600000000, -0.0001812300000000 ] - [ -0.0001164100000000, -0.0000716400000000, 0.0001835400000000 ] - [ -0.0010732300000000, 0.0024134200000000, 0.0027506000000000 ] - [ 0.0004459200000000, 0.0003530700000000, 0.0021956400000000 ] - [ -0.0000447700000000, -0.0000616100000000, 0.0002408000000000 ] - [ -0.0010936700000000, 0.0030005400000000, -0.0270586200000000 ] - [ 0.0000316300000000, -0.0000766200000000, -0.0001928700000000 ] - [ 0.0000192600000000, 0.0002725300000000, -0.0003351500000000 ] - [ -0.0000667900000000, -0.0000355000000000, -0.0016368100000000 ] - [ 0.0000132200000000, 0.0000575500000000, 0.0000551900000000 ] - [ -0.0013267300000000, -0.0007422800000000, 0.0009583600000000 ] - [ 0.0000445400000000, -0.0002408100000000, 0.0000547600000000 ] - [ -0.0001409800000000, 0.0003486200000000, -0.0001839300000000 ] - [ -0.0000455800000000, 0.0014445700000000, 0.0014021200000000 ] - [ -0.0000812000000000, -0.0000534700000000, 0.0001320800000000 ] - [ 0.0014287600000000, -0.0023309900000000, 0.0011312200000000 ] - [ -0.0000075700000000, 0.0001162500000000, -0.0000492900000000 ] - [ -0.0000613500000000, -0.0007775800000000, 0.0008986100000000 ] - [ 0.0000029300000000, 0.0002686700000000, -0.0000355200000000 ] - [ 0.0042479000000000, -0.0029217000000000, -0.0060893900000000 ] - [ 0.0000858200000000, -0.0001464700000000, -0.0001251900000000 ] - [ 0.0000490500000000, -0.0008970700000000, -0.0000213800000000 ] - [ 0.0002763200000000, 0.0007342400000000, -0.0001954100000000 ] - [ -0.0002145900000000, -0.0000631000000000, 0.0009376700000000 ] - [ 0.0000261600000000, -0.0000181300000000, 0.0001293500000000 ] - [ 0.0000638000000000, 0.0002490200000000, 0.0003067500000000 ] - [ 0.0000711800000000, -0.0001251600000000, 0.0002520700000000 ] - [ -0.0003154500000000, 0.0000843200000000, -0.0006216800000000 ] - [ -0.0000120300000000, 0.0000883400000000, -0.0000723800000000 ] - [ -0.0011421900000000, 0.0007375300000000, 0.0008933200000000 ] - [ 0.0000303200000000, 0.0000361900000000, 0.0000743800000000 ] - [ -0.0002461900000000, 0.0005679600000000, -0.0007501500000000 ] - [ -0.0000920900000000, -0.0004223800000000, -0.0004454200000000 ] - [ 0.0002809400000000, -0.0002474300000000, -0.0004128900000000 ] - [ 0.0001357400000000, -0.0000105600000000, -0.0002214500000000 ] - [ 0.0000704100000000, 0.0001089700000000, -0.0000398000000000 ] - [ 0.0007682900000000, -0.0003520300000000, -0.0048195800000000 ] - [ -0.0033967300000000, -0.0038892500000000, -0.0075889300000000 ] - [ 0.0000349200000000, -0.0001109200000000, -0.0000403600000000 ] - [ -0.0001183500000000, 0.0010035600000000, -0.0003030300000000 ] - [ -0.0000219900000000, -0.0004151800000000, -0.0001241600000000 ] - [ 0.0002673000000000, -0.0003795100000000, 0.0009121700000000 ] - [ 0.0001069900000000, -0.0002222300000000, 0.0003198000000000 ] - [ -0.0002875500000000, -0.0000226700000000, 0.0001864800000000 ] - [ 0.0000305300000000, 0.0005136900000000, 0.0003489600000000 ] - [ -0.0002541000000000, -0.0001042900000000, 0.0001892600000000 ] - [ 0.0000091700000000, -0.0001279300000000, 0.0000051900000000 ] - [ 0.0000250200000000, -0.0000488100000000, 0.0000800900000000 ] - [ 0.0001258200000000, 0.0000334600000000, 0.0013114300000000 ] - [ 0.0001836700000000, 0.0000754100000000, 0.0001972900000000 ] - [ -0.0000221200000000, -0.0001263800000000, 0.0000328000000000 ] - [ 0.0004924400000000, 0.0001897300000000, -0.0003696900000000 ] - [ 0.0000057800000000, 0.0000591500000000, 0.0000287800000000 ] - [ -0.0000703800000000, 0.0000083400000000, 0.0001861900000000 ] - [ -0.0001198800000000, 0.0000862300000000, 0.0003218600000000 ] - [ -0.0000456300000000, -0.0000374200000000, -0.0000781100000000 ] - [ -0.0003898000000000, 0.0002808800000000, -0.0004520100000000 ] - [ 0.0000219600000000, 0.0000744000000000, -0.0000468600000000 ] - [ 0.0005427000000000, 0.0003848700000000, 0.0004650500000000 ] - [ -0.0000578000000000, -0.0000070900000000, -0.0001100400000000 ] - [ 0.0008252400000000, -0.0004781800000000, -0.0005898700000000 ] - [ -0.0008814200000000, -0.0002613400000000, -0.0005257000000000 ] - [ -0.0000273500000000, -0.0000557500000000, -0.0000456900000000 ] - [ -0.0000074600000000, -0.0000745800000000, 0.0001860200000000 ] - [ -0.0004282900000000, 0.0003823600000000, 0.0007494700000000 ] - [ 0.0009953200000000, 0.0003152200000000, 0.0013327900000000 ] - [ 0.0000101900000000, -0.0000036400000000, 0.0000268300000000 ] - [ -0.0000181800000000, 0.0001009200000000, -0.0000825700000000 ] - [ 0.0000904500000000, -0.0009716000000000, -0.0051885600000000 ] - [ 0.0000003800000000, 0.0001504000000000, 0.0000615200000000 ] - [ 0.0006099400000000, -0.0004685500000000, 0.0011277300000000 ] - [ -0.0002981200000000, -0.0002342300000000, -0.0000960400000000 ] - [ -0.0000352800000000, -0.0001459800000000, -0.0000628400000000 ] - [ -0.0000554400000000, 0.0020612500000000, -0.0010488600000000 ] - [ 0.0000163100000000, -0.0000000900000000, -0.0001203300000000 ] - [ 0.0003722700000000, 0.0003335700000000, -0.0006829200000000 ] - [ -0.0000978500000000, -0.0001201500000000, -0.0001245000000000 ] - [ -0.0000295800000000, -0.0001474800000000, -0.0001451900000000 ] - [ -0.0001005900000000, 0.0000714100000000, -0.0001520300000000 ] - [ 0.0008151200000000, 0.0005212500000000, -0.0016233100000000 ] - [ -0.0000257300000000, 0.0001129500000000, 0.0000407700000000 ] - [ 0.0002955000000000, -0.0005469200000000, 0.0020148500000000 ] - [ 0.0000289100000000, -0.0001779800000000, 0.0001483000000000 ] - [ -0.0001305600000000, 0.0001147300000000, 0.0002465400000000 ] - [ -0.0000052600000000, 0.0001024900000000, -0.0000612800000000 ] - [ 0.0000084800000000, 0.0000100700000000, -0.0000785900000000 ] - [ -0.0001426600000000, -0.0016647200000000, 0.0014153500000000 ] - [ 0.0001804400000000, -0.0001525000000000, 0.0003048600000000 ] - [ -0.0000388200000000, 0.0000405000000000, 0.0001477200000000 ]- atom: 49 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ -0.0037181600000000, -0.0012970900000000, 0.0007823600000000 ] - [ -0.0002329600000000, 0.0000939900000000, 0.0002007800000000 ] - [ -0.0015818700000000, 0.0016172300000000, -0.0020320200000000 ] - [ -0.0000865900000000, -0.0003019800000000, -0.0001912500000000 ] - [ -0.0015511700000000, 0.0008276800000000, -0.0022489200000000 ] - [ -0.0002699500000000, -0.0003830400000000, -0.0002208700000000 ] - [ 0.0467437100000000, 0.0006848600000000, -0.0244850100000000 ] - [ 0.0002110400000000, 0.0000041700000000, -0.0001099100000000 ] - [ 0.0004727700000000, 0.0003152900000000, 0.0002884700000000 ] - [ 0.0003997800000000, 0.0001978900000000, 0.0005179800000000 ] - [ 0.0206863300000000, -0.0081814700000000, 0.0044202000000000 ] - [ 0.0003359600000000, -0.0005692100000000, 0.0000847300000000 ] - [ -0.0011465700000000, -0.0004758600000000, 0.0007156000000000 ] - [ -0.0010827600000000, 0.0006798100000000, -0.0001808900000000 ] - [ -0.0040352700000000, 0.0001401800000000, 0.0016018000000000 ] - [ -0.0001480400000000, -0.0000415800000000, 0.0000516700000000 ] - [ 0.0350521400000000, 0.0260997000000000, 0.0006870700000000 ] - [ 0.0001429400000000, 0.0000420000000000, -0.0001516900000000 ] - [ -0.0021266500000000, -0.0008247100000000, -0.0028787900000000 ] - [ -0.0001358300000000, -0.0001390500000000, 0.0000342400000000 ] - [ 0.0013771100000000, 0.0006876900000000, 0.0016623800000000 ] - [ 0.0001202400000000, 0.0000427000000000, -0.0000947000000000 ] - [ 0.0000193800000000, 0.0002142700000000, 0.0015065300000000 ] - [ 0.0000607900000000, -0.0000509400000000, 0.0001994800000000 ] - [ 0.0004000200000000, -0.0001331300000000, 0.0004042200000000 ] - [ 0.0029693900000000, -0.0005995100000000, -0.0005709700000000 ] - [ 0.0005378200000000, 0.0015100100000000, 0.0027708600000000 ] - [ -0.0000099200000000, -0.0002067000000000, 0.0002628400000000 ] - [ 0.0004368600000000, 0.0019372000000000, 0.0013450700000000 ] - [ -0.0001645900000000, -0.0005872100000000, 0.0001620800000000 ] - [ -0.0016941600000000, -0.0012017900000000, -0.0001293100000000 ] - [ -0.0014740000000000, 0.0006750400000000, -0.0001097900000000 ] - [ -0.0006071700000000, 0.0000382900000000, -0.0007391100000000 ] - [ 0.0001615000000000, 0.0001236900000000, 0.0000063500000000 ] - [ -0.0029187600000000, 0.0022581900000000, -0.0009041100000000 ] - [ -0.0000155700000000, -0.0006136800000000, -0.0001158000000000 ] - [ 0.0160948100000000, -0.0014087200000000, 0.0059042800000000 ] - [ -0.0000728300000000, 0.0001186700000000, 0.0000333800000000 ] - [ 0.0019501600000000, 0.0003716100000000, -0.0004890000000000 ] - [ 0.0015561800000000, -0.0008078400000000, -0.0006518000000000 ] - [ -0.0030848000000000, -0.0026430400000000, -0.0007774000000000 ] - [ -0.0002906100000000, 0.0000252900000000, -0.0002379900000000 ] - [ 0.0004611100000000, -0.0018845600000000, 0.0016497400000000 ] - [ -0.0000392400000000, 0.0001563100000000, 0.0002587000000000 ] - [ -0.0000681200000000, 0.0001560000000000, -0.0003110200000000 ] - [ -0.0005772400000000, -0.0000459200000000, -0.0004287800000000 ] - [ -0.0004614000000000, 0.0001385000000000, -0.0002462500000000 ] - [ -0.0000343700000000, -0.0000176400000000, -0.0000586600000000 ] - [ -0.1282449100000000, -0.0177777000000000, 0.0181895200000000 ] - [ -0.0001930800000000, 0.0001215200000000, -0.0000469300000000 ] - [ 0.0030275400000000, 0.0003513500000000, 0.0006117700000000 ] - [ 0.0003017600000000, -0.0000404300000000, 0.0002838000000000 ] - [ 0.0001040000000000, -0.0007367400000000, -0.0011647700000000 ] - [ 0.0000178500000000, 0.0000675300000000, -0.0003518800000000 ] - [ 0.0030810300000000, -0.0004606000000000, 0.0005482000000000 ] - [ 0.0000789100000000, 0.0001307300000000, 0.0001017200000000 ] - [ 0.0017664400000000, -0.0003202400000000, -0.0001297300000000 ] - [ 0.0017673900000000, 0.0011548700000000, 0.0000416900000000 ] - [ -0.0075460600000000, 0.0018916200000000, -0.0074234400000000 ] - [ -0.0000945400000000, 0.0000603500000000, -0.0000285600000000 ] - [ 0.0007077000000000, -0.0001997800000000, 0.0006849000000000 ] - [ 0.0000379800000000, -0.0000366800000000, 0.0000251100000000 ] - [ -0.0007710800000000, -0.0007234100000000, 0.0000452800000000 ] - [ -0.0007722200000000, 0.0011412100000000, -0.0002226200000000 ] - [ 0.0000127100000000, 0.0000183300000000, -0.0000907100000000 ] - [ 0.0002036100000000, -0.0001406300000000, -0.0001729400000000 ] - [ 0.0009566500000000, -0.0002074900000000, 0.0000423400000000 ] - [ 0.0000552800000000, 0.0000109600000000, 0.0000651700000000 ] - [ 0.0003395000000000, 0.0001213600000000, 0.0002031800000000 ] - [ -0.0000088100000000, 0.0000173700000000, 0.0001028800000000 ] - [ 0.0042121300000000, -0.0002896700000000, 0.0057812700000000 ] - [ 0.0000146500000000, 0.0000268000000000, 0.0000378200000000 ] - [ 0.0008022800000000, 0.0000643900000000, 0.0003687700000000 ] - [ 0.0000146700000000, 0.0002193900000000, -0.0000706100000000 ] - [ -0.0001720500000000, -0.0001705300000000, 0.0004156700000000 ] - [ -0.0000176000000000, -0.0000679700000000, -0.0000554100000000 ] - [ 0.0015025300000000, 0.0023476600000000, 0.0032786800000000 ] - [ -0.0000140100000000, -0.0001963500000000, 0.0000531300000000 ] - [ 0.0058165900000000, -0.0012873800000000, -0.0035213200000000 ] - [ 0.0000129500000000, -0.0000381300000000, 0.0000520000000000 ] - [ -0.0001449500000000, -0.0000436200000000, -0.0005331400000000 ] - [ -0.0000039600000000, -0.0000013400000000, -0.0000426400000000 ] - [ -0.0009911200000000, -0.0011149700000000, -0.0046073900000000 ] - [ -0.0000082200000000, 0.0002101600000000, 0.0001131800000000 ] - [ 0.0002402600000000, 0.0001504900000000, -0.0007332700000000 ] - [ 0.0000168700000000, 0.0001039200000000, -0.0000184600000000 ] - [ 0.0002498900000000, -0.0000567100000000, 0.0007450700000000 ] - [ -0.0000117500000000, -0.0001570700000000, -0.0000303200000000 ] - [ -0.0039992100000000, -0.0030880600000000, -0.0001131800000000 ] - [ -0.0000875700000000, -0.0000172700000000, 0.0000855100000000 ] - [ -0.0000968600000000, -0.0000377200000000, -0.0000022500000000 ] - [ -0.0002100500000000, -0.0001084900000000, 0.0000407500000000 ] - [ 0.0005789100000000, -0.0012889000000000, 0.0015702500000000 ] - [ -0.0000805900000000, 0.0002754000000000, 0.0000555000000000 ] - [ -0.0004661300000000, -0.0000221400000000, 0.0002806100000000 ] - [ -0.0001032200000000, 0.0001744100000000, 0.0000293500000000 ] - [ -0.0026934500000000, -0.0000419900000000, -0.0037149000000000 ] - [ -0.0000056900000000, -0.0002291300000000, -0.0000081900000000 ] - [ 0.0029835100000000, 0.0016197300000000, -0.0012050500000000 ] - [ 0.0001539600000000, -0.0000710400000000, -0.0000925400000000 ] - [ -0.0008574200000000, -0.0001094800000000, 0.0001583000000000 ] - [ 0.0000360600000000, 0.0000139100000000, -0.0001501000000000 ] - [ -0.0000460100000000, 0.0002565900000000, -0.0001280900000000 ] - [ 0.0016628500000000, -0.0016361000000000, -0.0004955600000000 ] - [ 0.0001462300000000, -0.0006763300000000, 0.0009207000000000 ] - [ -0.0000213200000000, 0.0000433800000000, -0.0000109200000000 ] - [ -0.0023462000000000, 0.0030092000000000, -0.0007271400000000 ] - [ -0.0001362700000000, 0.0000373600000000, 0.0002246600000000 ] - [ 0.0000474600000000, 0.0000233800000000, -0.0000850500000000 ] - [ -0.0002257600000000, -0.0002916600000000, -0.0000366700000000 ] - [ 0.0000305600000000, -0.0004718300000000, 0.0000361200000000 ] - [ 0.0000070200000000, 0.0005495300000000, -0.0000502000000000 ] - [ -0.0003411600000000, 0.0006272500000000, 0.0000049400000000 ] - [ -0.0014552700000000, -0.0016919600000000, 0.0001077200000000 ] - [ 0.0000991300000000, -0.0002380600000000, -0.0002040000000000 ] - [ 0.0000686400000000, 0.0000606000000000, -0.0002360300000000 ] - [ 0.0039625400000000, 0.0030154800000000, -0.0014227800000000 ] - [ 0.0000207200000000, -0.0001379500000000, 0.0000486700000000 ] - [ 0.0001287500000000, -0.0006604300000000, 0.0000880900000000 ] - [ 0.0001207200000000, 0.0006711700000000, 0.0003073200000000 ] - [ 0.0001335700000000, 0.0007272400000000, 0.0008095400000000 ] - [ -0.0000248800000000, 0.0000195900000000, -0.0000287700000000 ] - [ 0.0001822200000000, 0.0003555200000000, 0.0003310000000000 ] - [ 0.0002508400000000, 0.0001042700000000, 0.0003136900000000 ] - [ -0.0001477600000000, -0.0000239200000000, -0.0000803800000000 ] - [ -0.0000611600000000, 0.0001061000000000, -0.0000521300000000 ] - [ -0.0001719800000000, -0.0001015700000000, -0.0006749000000000 ] - [ -0.0000330900000000, -0.0002000300000000, -0.0002259900000000 ] - [ 0.0008930800000000, 0.0001290700000000, -0.0001674600000000 ] - [ 0.0001463200000000, 0.0001648400000000, -0.0000822000000000 ] - [ 0.0001863000000000, 0.0000282900000000, -0.0003552000000000 ] - [ 0.0000463400000000, 0.0000554400000000, -0.0000158800000000 ] - [ 0.0042298300000000, -0.0030075900000000, -0.0016390300000000 ] - [ -0.0000049400000000, 0.0001000200000000, 0.0000105600000000 ] - [ 0.0004421300000000, 0.0001058200000000, -0.0002721200000000 ] - [ 0.0000505700000000, 0.0000827700000000, 0.0000714000000000 ] - [ 0.0004683900000000, -0.0002099900000000, 0.0004389700000000 ] - [ 0.0000643200000000, -0.0001302700000000, 0.0001102900000000 ] - [ 0.0030699700000000, 0.0049587300000000, 0.0027261400000000 ] - [ -0.0000722900000000, 0.0000787500000000, -0.0000796800000000 ] - [ 0.0001394500000000, -0.0002540100000000, -0.0000154200000000 ] - [ 0.0001051500000000, -0.0000707700000000, -0.0000614700000000 ] - [ 0.0044163100000000, -0.0035977700000000, 0.0039453300000000 ] - [ -0.0000918500000000, 0.0001364400000000, -0.0000159400000000 ]- atom: 49 displacement: [ -0.0099999986220908, 0.0000000000000000, 0.0000052495887392 ] forces: - [ 0.0035865500000000, 0.0015975000000000, -0.0005002200000000 ] - [ 0.0000922500000000, 0.0002018300000000, 0.0000861400000000 ] - [ 0.0015688000000000, -0.0016882700000000, 0.0021275900000000 ] - [ 0.0000809300000000, 0.0002299300000000, 0.0002925600000000 ] - [ 0.0011612200000000, -0.0011830000000000, 0.0022454000000000 ] - [ -0.0001210500000000, 0.0000323200000000, 0.0002169400000000 ] - [ -0.0451583800000000, -0.0006159600000000, 0.0230620500000000 ] - [ -0.0001982500000000, 0.0000677500000000, 0.0000077300000000 ] - [ -0.0000835100000000, 0.0000353600000000, -0.0002883500000000 ] - [ -0.0000106900000000, 0.0001577800000000, -0.0005097000000000 ] - [ -0.0205888500000000, 0.0083572700000000, -0.0044506900000000 ] - [ 0.0000526700000000, 0.0002177400000000, -0.0000798900000000 ] - [ 0.0007599900000000, 0.0008309200000000, -0.0007176800000000 ] - [ 0.0006935200000000, -0.0003282900000000, 0.0001780200000000 ] - [ 0.0040096600000000, -0.0000686700000000, -0.0014869100000000 ] - [ 0.0001391200000000, 0.0001143100000000, 0.0000512900000000 ] - [ -0.0355571200000000, -0.0274350500000000, -0.0010654900000000 ] - [ -0.0000082400000000, -0.0003370700000000, -0.0001346000000000 ] - [ 0.0019868200000000, 0.0005242100000000, 0.0031644900000000 ] - [ -0.0000043200000000, -0.0001576500000000, 0.0002519500000000 ] - [ -0.0012405400000000, -0.0003922400000000, -0.0019407400000000 ] - [ 0.0000181800000000, 0.0002535200000000, -0.0001912800000000 ] - [ -0.0000084400000000, -0.0002905100000000, -0.0015983400000000 ] - [ -0.0000446500000000, -0.0000167100000000, -0.0003015000000000 ] - [ -0.0005367800000000, 0.0004291400000000, -0.0001195700000000 ] - [ -0.0030833700000000, 0.0009104800000000, 0.0008596800000000 ] - [ -0.0005880300000000, -0.0015865200000000, -0.0026611300000000 ] - [ -0.0000071000000000, 0.0001344300000000, -0.0001618400000000 ] - [ -0.0008188600000000, -0.0022754000000000, -0.0013482400000000 ] - [ -0.0002264900000000, 0.0002358800000000, -0.0001610500000000 ] - [ 0.0017092800000000, 0.0012795600000000, 0.0000293100000000 ] - [ 0.0014874000000000, -0.0006063200000000, 0.0000072200000000 ] - [ 0.0010025500000000, 0.0003143900000000, 0.0007449000000000 ] - [ 0.0002321500000000, 0.0002271600000000, -0.0000013600000000 ] - [ 0.0033078200000000, -0.0025999100000000, 0.0009047400000000 ] - [ 0.0004065000000000, 0.0002609800000000, 0.0001169800000000 ] - [ -0.0164481200000000, 0.0017873500000000, -0.0057331600000000 ] - [ -0.0003212000000000, 0.0002378300000000, -0.0000389000000000 ] - [ -0.0019755500000000, -0.0003051000000000, 0.0005922800000000 ] - [ -0.0015786700000000, 0.0008847500000000, 0.0007536500000000 ] - [ 0.0032246500000000, 0.0023406300000000, 0.0004824300000000 ] - [ 0.0004312600000000, -0.0003206400000000, -0.0000476000000000 ] - [ -0.0005863900000000, 0.0015779600000000, -0.0013596000000000 ] - [ -0.0001000700000000, -0.0004526500000000, 0.0000261400000000 ] - [ 0.0002111800000000, 0.0001393300000000, 0.0000269600000000 ] - [ 0.0007191300000000, 0.0003416200000000, 0.0001466600000000 ] - [ 0.0004745400000000, -0.0002112900000000, 0.0001469800000000 ] - [ 0.0000470500000000, -0.0000530000000000, -0.0000430700000000 ] - [ 0.1276474300000000, 0.0183941500000000, -0.0170947000000000 ] - [ 0.0002560000000000, 0.0000129900000000, -0.0001302000000000 ] - [ -0.0030909100000000, -0.0004899700000000, -0.0004300500000000 ] - [ -0.0003661800000000, -0.0000957100000000, -0.0001050800000000 ] - [ -0.0000363100000000, 0.0005990700000000, 0.0009799500000000 ] - [ 0.0000455700000000, -0.0002057400000000, 0.0001725500000000 ] - [ -0.0031399600000000, 0.0005994700000000, -0.0003739200000000 ] - [ -0.0001422700000000, 0.0000040400000000, 0.0000757800000000 ] - [ -0.0017040000000000, 0.0004507100000000, -0.0000489200000000 ] - [ -0.0017033700000000, -0.0010159300000000, -0.0002182100000000 ] - [ 0.0075121300000000, -0.0020817300000000, 0.0075678300000000 ] - [ 0.0000314900000000, -0.0001963400000000, 0.0002073900000000 ] - [ -0.0006456800000000, 0.0000668800000000, -0.0008656100000000 ] - [ 0.0000249400000000, -0.0001000800000000, -0.0002037600000000 ] - [ 0.0007064300000000, 0.0008595600000000, 0.0001366200000000 ] - [ 0.0007061400000000, -0.0010071700000000, 0.0004007000000000 ] - [ -0.0000120400000000, -0.0000050400000000, 0.0000912000000000 ] - [ -0.0002002300000000, 0.0001529700000000, 0.0001721700000000 ] - [ -0.0010069800000000, 0.0002685400000000, 0.0001388800000000 ] - [ -0.0001081100000000, 0.0000505900000000, 0.0001163200000000 ] - [ -0.0003931800000000, -0.0001813100000000, -0.0000207500000000 ] - [ -0.0000447200000000, -0.0000793700000000, 0.0000785200000000 ] - [ -0.0042103700000000, 0.0002711700000000, -0.0057979600000000 ] - [ -0.0000148600000000, -0.0000467300000000, -0.0000368300000000 ] - [ -0.0008349100000000, 0.0002816200000000, -0.0005227500000000 ] - [ -0.0000485000000000, 0.0001265300000000, -0.0000845800000000 ] - [ 0.0001770600000000, -0.0000190500000000, -0.0005722200000000 ] - [ 0.0000226300000000, -0.0001228000000000, -0.0001012600000000 ] - [ -0.0015034700000000, -0.0024969800000000, -0.0032854700000000 ] - [ 0.0000150000000000, 0.0000487500000000, -0.0000537700000000 ] - [ -0.0058764500000000, 0.0011000500000000, 0.0037108100000000 ] - [ -0.0000176300000000, -0.0001525400000000, 0.0001047100000000 ] - [ 0.0001458900000000, 0.0000621300000000, 0.0005330600000000 ] - [ 0.0000040700000000, 0.0000199300000000, 0.0000418800000000 ] - [ 0.0010190400000000, 0.0014540000000000, 0.0047369500000000 ] - [ 0.0000415500000000, 0.0001356400000000, 0.0000416000000000 ] - [ -0.0002366200000000, 0.0000001300000000, 0.0007350400000000 ] - [ -0.0000167900000000, 0.0000433900000000, 0.0000196100000000 ] - [ -0.0002845000000000, -0.0002888900000000, -0.0009007800000000 ] - [ -0.0000220300000000, -0.0001892800000000, -0.0001255200000000 ] - [ 0.0040348900000000, 0.0031787700000000, -0.0000435200000000 ] - [ 0.0001403100000000, 0.0000779200000000, -0.0002671600000000 ] - [ 0.0000970000000000, 0.0000378800000000, 0.0000021800000000 ] - [ 0.0002108100000000, 0.0001089500000000, -0.0000408900000000 ] - [ -0.0005764600000000, 0.0012746600000000, -0.0015709300000000 ] - [ 0.0000813500000000, -0.0002901300000000, -0.0000555500000000 ] - [ 0.0004627600000000, 0.0002123200000000, -0.0001235300000000 ] - [ 0.0000991100000000, 0.0000150100000000, 0.0001269400000000 ] - [ 0.0027381900000000, -0.0002849400000000, 0.0038480000000000 ] - [ 0.0000397400000000, -0.0001187900000000, 0.0001640100000000 ] - [ -0.0029743200000000, -0.0014263700000000, 0.0010463200000000 ] - [ -0.0001494400000000, 0.0002610600000000, -0.0000641500000000 ] - [ 0.0009175500000000, 0.0000537600000000, -0.0003450400000000 ] - [ 0.0000171000000000, -0.0000760100000000, -0.0000313200000000 ] - [ 0.0000468100000000, -0.0002575900000000, 0.0001290200000000 ] - [ -0.0016598900000000, 0.0016347300000000, 0.0004968000000000 ] - [ -0.0001577800000000, 0.0006957100000000, -0.0009272600000000 ] - [ 0.0000207600000000, -0.0000303200000000, 0.0000108200000000 ] - [ 0.0022742500000000, -0.0029561000000000, 0.0009233000000000 ] - [ 0.0000826700000000, 0.0000239000000000, -0.0000435200000000 ] - [ -0.0001006000000000, -0.0000824900000000, 0.0002657200000000 ] - [ 0.0001726800000000, 0.0002264800000000, 0.0002148400000000 ] - [ -0.0000320400000000, 0.0004499300000000, -0.0000360000000000 ] - [ -0.0000087300000000, -0.0005666400000000, 0.0000504900000000 ] - [ 0.0003086100000000, -0.0002806700000000, -0.0001589500000000 ] - [ 0.0014227700000000, 0.0020387600000000, -0.0002599900000000 ] - [ -0.0000946200000000, 0.0000478900000000, 0.0000463900000000 ] - [ -0.0000652500000000, -0.0002508600000000, 0.0000787900000000 ] - [ -0.0039486400000000, -0.0031500700000000, 0.0014199600000000 ] - [ -0.0000211900000000, -0.0000101400000000, -0.0000501200000000 ] - [ -0.0001347800000000, 0.0004685800000000, 0.0000690500000000 ] - [ -0.0001283300000000, -0.0008617300000000, -0.0001489400000000 ] - [ -0.0001376500000000, -0.0007096200000000, -0.0008142000000000 ] - [ 0.0000246900000000, -0.0000004300000000, 0.0000273800000000 ] - [ -0.0001491900000000, -0.0000108900000000, -0.0001775500000000 ] - [ -0.0002173200000000, 0.0002418100000000, -0.0001597400000000 ] - [ 0.0001457000000000, 0.0001712000000000, 0.0000814100000000 ] - [ 0.0000584400000000, 0.0000389800000000, 0.0000498100000000 ] - [ 0.0001375600000000, -0.0002449600000000, 0.0005153100000000 ] - [ -0.0000006400000000, -0.0001457800000000, 0.0000705900000000 ] - [ -0.0008359500000000, -0.0000658700000000, -0.0000136600000000 ] - [ -0.0000930600000000, -0.0001042600000000, -0.0000999000000000 ] - [ -0.0001870400000000, -0.0000292800000000, 0.0003513800000000 ] - [ -0.0000473700000000, -0.0000560000000000, 0.0000155000000000 ] - [ -0.0042177300000000, 0.0029850400000000, 0.0016348800000000 ] - [ 0.0000039600000000, -0.0001137300000000, -0.0000110900000000 ] - [ -0.0004463500000000, 0.0000859500000000, 0.0004256600000000 ] - [ -0.0000555700000000, 0.0001070200000000, 0.0000852300000000 ] - [ -0.0004350900000000, -0.0001354700000000, -0.0002834000000000 ] - [ -0.0000308400000000, -0.0002162200000000, 0.0000452500000000 ] - [ -0.0030667700000000, -0.0047415300000000, -0.0028657300000000 ] - [ 0.0000758000000000, 0.0001105800000000, -0.0000771100000000 ] - [ -0.0000859500000000, 0.0001909300000000, -0.0001653500000000 ] - [ -0.0000519100000000, 0.0000091000000000, -0.0001200400000000 ] - [ -0.0043983500000000, 0.0035812800000000, -0.0039269900000000 ] - [ 0.0000914800000000, -0.0001366600000000, 0.0000161700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003837900000000, 0.0023605200000000, 0.0010335900000000 ] - [ -0.0002356500000000, -0.0009871500000000, 0.0000259700000000 ] - [ 0.0001054400000000, 0.0002938000000000, 0.0008350400000000 ] - [ -0.0000928600000000, -0.0008975400000000, -0.0003038700000000 ] - [ 0.0003583000000000, 0.0020735700000000, 0.0002870900000000 ] - [ -0.0004416900000000, -0.0013025900000000, -0.0002421600000000 ] - [ -0.0002205400000000, 0.0171903500000000, 0.0015959700000000 ] - [ 0.0000430400000000, -0.0012500500000000, -0.0001132400000000 ] - [ 0.0000074600000000, -0.0000212800000000, -0.0003661900000000 ] - [ 0.0004043400000000, -0.0003583200000000, -0.0000453300000000 ] - [ -0.0120820900000000, 0.0276753800000000, -0.0058432500000000 ] - [ 0.0002862800000000, -0.0019934000000000, 0.0001555500000000 ] - [ -0.0009533300000000, -0.0008474200000000, 0.0008864900000000 ] - [ 0.0006141200000000, -0.0009293600000000, -0.0003285800000000 ] - [ -0.0001268800000000, 0.0013944300000000, -0.0000020900000000 ] - [ -0.0000761900000000, -0.0009539300000000, 0.0000950300000000 ] - [ 0.0237620900000000, 0.0472760300000000, 0.0027803400000000 ] - [ -0.0000573200000000, -0.0018761100000000, -0.0001989200000000 ] - [ -0.0015016900000000, 0.0020201100000000, -0.0010770200000000 ] - [ 0.0002453700000000, -0.0011962200000000, 0.0003179600000000 ] - [ -0.0000040600000000, 0.0017729200000000, -0.0006188600000000 ] - [ 0.0002922900000000, -0.0009968600000000, -0.0000648600000000 ] - [ -0.0001076800000000, 0.0007234700000000, 0.0025035900000000 ] - [ -0.0002097400000000, -0.0011830100000000, -0.0003012200000000 ] - [ 0.0003293000000000, -0.0016141000000000, 0.0007535100000000 ] - [ -0.0026980200000000, -0.0028874200000000, -0.0016597400000000 ] - [ 0.0038260600000000, 0.0021383900000000, -0.0027954400000000 ] - [ -0.0001538100000000, -0.0012345700000000, 0.0001028000000000 ] - [ 0.0013499900000000, 0.0003847200000000, -0.0019942400000000 ] - [ -0.0005379900000000, -0.0012443700000000, 0.0000374600000000 ] - [ -0.0016819100000000, -0.0014469500000000, -0.0001026600000000 ] - [ 0.0013742000000000, -0.0009070400000000, 0.0005042400000000 ] - [ 0.0000978600000000, 0.0015644100000000, -0.0004640600000000 ] - [ 0.0000886600000000, -0.0007860600000000, -0.0000348500000000 ] - [ 0.0000326500000000, 0.0001963500000000, -0.0001524700000000 ] - [ 0.0001756500000000, -0.0012496000000000, 0.0002136800000000 ] - [ -0.0005209200000000, 0.0182009400000000, 0.0030249500000000 ] - [ -0.0000226500000000, -0.0011769500000000, 0.0000386200000000 ] - [ 0.0000587600000000, -0.0027296600000000, -0.0018316800000000 ] - [ -0.0000769900000000, -0.0020034500000000, 0.0017809400000000 ] - [ -0.0009600100000000, -0.0000960100000000, 0.0003449800000000 ] - [ -0.0000572500000000, -0.0010581100000000, -0.0001750600000000 ] - [ -0.0019095900000000, -0.0000623600000000, 0.0011194700000000 ] - [ 0.0005000700000000, -0.0013041600000000, 0.0002166100000000 ] - [ 0.0002891100000000, -0.0005336900000000, -0.0001803000000000 ] - [ -0.0003668000000000, 0.0005510400000000, -0.0005883100000000 ] - [ 0.0004015500000000, 0.0010376500000000, -0.0002591300000000 ] - [ -0.0001368100000000, -0.0008832000000000, -0.0000910800000000 ] - [ -0.0169410800000000, -0.1115832900000000, -0.0100987800000000 ] - [ 0.0000860900000000, 0.0015825200000000, 0.0000435300000000 ] - [ 0.0003860700000000, -0.0006518400000000, -0.0004562300000000 ] - [ -0.0000045200000000, 0.0010547800000000, 0.0002934900000000 ] - [ 0.0006987800000000, -0.0009550300000000, 0.0001685600000000 ] - [ -0.0001051800000000, 0.0010331900000000, -0.0001328500000000 ] - [ 0.0004962500000000, -0.0018309500000000, 0.0005210300000000 ] - [ -0.0000945300000000, 0.0011242800000000, -0.0000098400000000 ] - [ 0.0011117400000000, 0.0006123300000000, -0.0002457800000000 ] - [ -0.0003600200000000, 0.0006087500000000, -0.0000828400000000 ] - [ 0.0019831900000000, 0.0009182500000000, 0.0126880900000000 ] - [ 0.0000974500000000, 0.0014108200000000, -0.0000044000000000 ] - [ 0.0001630900000000, -0.0011253800000000, 0.0002041000000000 ] - [ -0.0000004700000000, 0.0008356400000000, -0.0000801200000000 ] - [ -0.0011018600000000, 0.0011923800000000, 0.0014689500000000 ] - [ 0.0007625200000000, 0.0011905500000000, -0.0009248600000000 ] - [ 0.0000908400000000, 0.0002372500000000, -0.0000289000000000 ] - [ -0.0005675400000000, 0.0001114800000000, 0.0003137000000000 ] - [ 0.0003186600000000, -0.0004351700000000, 0.0003454500000000 ] - [ -0.0000907700000000, 0.0004733400000000, -0.0001498800000000 ] - [ -0.0000725100000000, -0.0006538800000000, -0.0002400800000000 ] - [ 0.0000171000000000, 0.0004328500000000, 0.0003013300000000 ] - [ 0.0004788600000000, -0.0043190400000000, 0.0014091800000000 ] - [ -0.0000059300000000, 0.0004587100000000, -0.0000042800000000 ] - [ 0.0000376700000000, -0.0003828900000000, 0.0001389900000000 ] - [ -0.0000249800000000, 0.0005854200000000, -0.0002572200000000 ] - [ 0.0001183100000000, -0.0006694800000000, 0.0001603600000000 ] - [ -0.0001328900000000, 0.0003123300000000, -0.0001074600000000 ] - [ 0.0027736900000000, 0.0025312800000000, 0.0042821100000000 ] - [ -0.0001456600000000, 0.0005023700000000, -0.0000814700000000 ] - [ -0.0001057200000000, -0.0050981200000000, -0.0007056300000000 ] - [ 0.0001705000000000, 0.0004565500000000, 0.0001270000000000 ] - [ 0.0000707600000000, -0.0003120300000000, -0.0001353900000000 ] - [ -0.0000183700000000, 0.0003375100000000, 0.0000136400000000 ] - [ -0.0000289100000000, -0.0008858200000000, 0.0002826900000000 ] - [ 0.0000323200000000, 0.0006462100000000, 0.0002089700000000 ] - [ -0.0004291400000000, -0.0007946500000000, 0.0001095400000000 ] - [ 0.0000321500000000, 0.0005093100000000, -0.0000092600000000 ] - [ 0.0001249100000000, -0.0004994200000000, -0.0000978700000000 ] - [ -0.0000022700000000, 0.0001182700000000, 0.0000731700000000 ] - [ -0.0026929000000000, 0.0032961500000000, 0.0045800200000000 ] - [ 0.0002147600000000, 0.0007861700000000, 0.0000058300000000 ] - [ 0.0003575400000000, 0.0004307200000000, 0.0003723200000000 ] - [ -0.0002733100000000, -0.0002860700000000, -0.0004569800000000 ] - [ -0.0019774300000000, 0.0011512200000000, -0.0029427700000000 ] - [ 0.0001313000000000, 0.0006037900000000, -0.0000007500000000 ] - [ -0.0000456600000000, -0.0002415900000000, 0.0006319000000000 ] - [ -0.0001697400000000, 0.0005113600000000, -0.0000731800000000 ] - [ -0.0016095500000000, 0.0012228300000000, -0.0072797400000000 ] - [ 0.0000123100000000, 0.0004583500000000, 0.0000194400000000 ] - [ 0.0034833900000000, 0.0013499300000000, -0.0016796800000000 ] - [ 0.0000439400000000, 0.0006010700000000, -0.0000290600000000 ] - [ 0.0001133700000000, -0.0015922600000000, 0.0003862200000000 ] - [ -0.0000481700000000, 0.0005192500000000, -0.0002884100000000 ] - [ -0.0001856500000000, 0.0004576800000000, -0.0001805000000000 ] - [ -0.0028344800000000, 0.0018309000000000, 0.0010227500000000 ] - [ 0.0001623500000000, -0.0013520200000000, 0.0003895100000000 ] - [ 0.0000184600000000, 0.0003650200000000, -0.0000011800000000 ] - [ 0.0022812600000000, 0.0014314500000000, -0.0026795200000000 ] - [ -0.0002272400000000, 0.0007091700000000, -0.0000524300000000 ] - [ 0.0001943900000000, 0.0006486800000000, -0.0000693600000000 ] - [ -0.0002093700000000, 0.0006675800000000, 0.0007527300000000 ] - [ -0.0001385500000000, 0.0001720900000000, -0.0000257400000000 ] - [ 0.0001302100000000, 0.0001047700000000, -0.0000200600000000 ] - [ -0.0002271600000000, 0.0014855600000000, -0.0004756700000000 ] - [ 0.0009164300000000, 0.0029010200000000, -0.0004561400000000 ] - [ -0.0001964800000000, 0.0000576000000000, -0.0000218600000000 ] - [ 0.0002019000000000, 0.0001091400000000, -0.0001972200000000 ] - [ -0.0001054700000000, -0.0010647500000000, 0.0000347700000000 ] - [ -0.0000314400000000, 0.0003616200000000, -0.0000240000000000 ] - [ -0.0000701200000000, -0.0000205300000000, 0.0000194000000000 ] - [ 0.0005968200000000, 0.0005230300000000, 0.0000337000000000 ] - [ 0.0006128500000000, -0.0005857200000000, 0.0007869000000000 ] - [ -0.0000683700000000, 0.0003627700000000, -0.0000931000000000 ] - [ 0.0001963400000000, 0.0005248800000000, 0.0004582200000000 ] - [ -0.0002027700000000, 0.0001256700000000, -0.0002428100000000 ] - [ -0.0002814800000000, 0.0002329800000000, -0.0002302500000000 ] - [ 0.0003719700000000, 0.0004662700000000, 0.0004874300000000 ] - [ -0.0000204800000000, -0.0004822600000000, 0.0001095300000000 ] - [ 0.0000243400000000, 0.0002374800000000, 0.0000413200000000 ] - [ -0.0001542800000000, -0.0005263400000000, -0.0003572500000000 ] - [ 0.0001378200000000, 0.0005376800000000, 0.0001113600000000 ] - [ -0.0003806500000000, -0.0004612300000000, -0.0001261600000000 ] - [ 0.0003045700000000, 0.0003847800000000, 0.0001238700000000 ] - [ 0.0001483000000000, -0.0009379300000000, -0.0003929800000000 ] - [ 0.0000358600000000, 0.0003399200000000, 0.0000084700000000 ] - [ 0.0002060300000000, -0.0003385400000000, 0.0001824100000000 ] - [ -0.0001522500000000, 0.0004665200000000, 0.0000563600000000 ] - [ 0.0001197700000000, -0.0004440300000000, 0.0003447900000000 ] - [ 0.0000102600000000, 0.0001960100000000, -0.0001119800000000 ] - [ 0.0037121700000000, 0.0011097900000000, 0.0005828700000000 ] - [ 0.0000762900000000, 0.0005754200000000, -0.0000264600000000 ] - [ 0.0000533600000000, 0.0001370400000000, -0.0002582600000000 ] - [ -0.0000285500000000, -0.0000635400000000, 0.0000152100000000 ] - [ -0.0010823400000000, -0.0004282000000000, -0.0007881100000000 ] - [ -0.0002994400000000, 0.0004491600000000, -0.0000956900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002418400000000, -0.0020857200000000, -0.0007463600000000 ] - [ 0.0000934900000000, 0.0012805900000000, 0.0002615700000000 ] - [ -0.0001166100000000, -0.0003715500000000, -0.0007268100000000 ] - [ 0.0000837600000000, 0.0008269100000000, 0.0004083200000000 ] - [ -0.0007387600000000, -0.0024159500000000, -0.0002837100000000 ] - [ 0.0000527600000000, 0.0009477100000000, 0.0002386500000000 ] - [ 0.0001846600000000, -0.0171155900000000, -0.0017319200000000 ] - [ -0.0000317100000000, 0.0013211600000000, 0.0000092200000000 ] - [ 0.0003827400000000, 0.0003739700000000, 0.0003715400000000 ] - [ -0.0000154700000000, 0.0007143700000000, 0.0000496200000000 ] - [ 0.0116374700000000, -0.0268695900000000, 0.0057148800000000 ] - [ 0.0001036700000000, 0.0016390300000000, -0.0001506200000000 ] - [ 0.0005734400000000, 0.0012024300000000, -0.0008923800000000 ] - [ -0.0009972300000000, 0.0012812500000000, 0.0003250100000000 ] - [ 0.0001257800000000, -0.0013227100000000, 0.0001036000000000 ] - [ 0.0000649500000000, 0.0010251000000000, 0.0000103600000000 ] - [ -0.0250059400000000, -0.0489001300000000, -0.0032993200000000 ] - [ 0.0001982300000000, 0.0015809600000000, -0.0000887100000000 ] - [ 0.0013683600000000, -0.0023325700000000, 0.0013699700000000 ] - [ -0.0003871600000000, 0.0009026700000000, -0.0000287500000000 ] - [ 0.0001444500000000, -0.0014858100000000, 0.0003279700000000 ] - [ -0.0001491100000000, 0.0012893700000000, -0.0002239500000000 ] - [ 0.0001161400000000, -0.0007998600000000, -0.0026180500000000 ] - [ 0.0002219800000000, 0.0011146100000000, 0.0001962700000000 ] - [ -0.0004759200000000, 0.0019063800000000, -0.0004681600000000 ] - [ 0.0025467300000000, 0.0031945000000000, 0.0019447000000000 ] - [ -0.0038392000000000, -0.0021954300000000, 0.0028994600000000 ] - [ 0.0001402000000000, 0.0011626100000000, -0.0000005700000000 ] - [ -0.0017480500000000, -0.0007479700000000, 0.0019909600000000 ] - [ 0.0001454200000000, 0.0008887000000000, -0.0000404400000000 ] - [ 0.0017090200000000, 0.0015243600000000, -0.0000012600000000 ] - [ -0.0013476000000000, 0.0009738800000000, -0.0006070600000000 ] - [ 0.0002976700000000, -0.0012064800000000, 0.0004702100000000 ] - [ 0.0003037200000000, 0.0011411100000000, 0.0000394300000000 ] - [ 0.0003691900000000, -0.0005634700000000, 0.0001589200000000 ] - [ 0.0002157600000000, 0.0008953000000000, -0.0002099700000000 ] - [ 0.0000574300000000, -0.0178572900000000, -0.0030742700000000 ] - [ -0.0003706400000000, 0.0015337300000000, -0.0000442500000000 ] - [ -0.0000817200000000, 0.0028034400000000, 0.0019417700000000 ] - [ 0.0000539800000000, 0.0020746300000000, -0.0016683400000000 ] - [ 0.0011157100000000, -0.0001833900000000, -0.0006297600000000 ] - [ 0.0002007700000000, 0.0007605200000000, -0.0001133000000000 ] - [ 0.0017558200000000, -0.0002216600000000, -0.0008344100000000 ] - [ -0.0006441400000000, 0.0010091800000000, 0.0000690700000000 ] - [ -0.0001440500000000, 0.0008236100000000, -0.0001047600000000 ] - [ 0.0005132800000000, -0.0002507600000000, 0.0003048400000000 ] - [ -0.0003836000000000, -0.0011043100000000, 0.0001553500000000 ] - [ 0.0001511300000000, 0.0008101000000000, -0.0000120600000000 ] - [ 0.0192419600000000, 0.1119341500000000, 0.0103007300000000 ] - [ -0.0000217000000000, -0.0014500700000000, -0.0002239300000000 ] - [ -0.0004557000000000, 0.0005299600000000, 0.0006392400000000 ] - [ -0.0000609900000000, -0.0011858700000000, -0.0001134500000000 ] - [ -0.0006365900000000, 0.0008279100000000, -0.0003471400000000 ] - [ 0.0001688300000000, -0.0011650100000000, -0.0000474700000000 ] - [ -0.0005653100000000, 0.0019636100000000, -0.0003374400000000 ] - [ 0.0000307400000000, -0.0009925400000000, 0.0001898400000000 ] - [ -0.0010583500000000, -0.0004775600000000, 0.0000656000000000 ] - [ 0.0004127300000000, -0.0004819700000000, -0.0000979800000000 ] - [ -0.0020033400000000, -0.0010920600000000, -0.0124305300000000 ] - [ -0.0001599200000000, -0.0015429500000000, 0.0001857300000000 ] - [ -0.0001038400000000, 0.0009919400000000, -0.0003873100000000 ] - [ 0.0000632300000000, -0.0009669900000000, -0.0001015600000000 ] - [ 0.0010444100000000, -0.0010591300000000, -0.0012921600000000 ] - [ -0.0008198400000000, -0.0010611600000000, 0.0011032300000000 ] - [ -0.0000912400000000, -0.0002231900000000, 0.0000290000000000 ] - [ 0.0005667400000000, -0.0000982900000000, -0.0003126700000000 ] - [ -0.0003759600000000, 0.0004996900000000, -0.0001657600000000 ] - [ 0.0000369000000000, -0.0004110100000000, 0.0003309000000000 ] - [ 0.0000177600000000, 0.0005922000000000, 0.0004207500000000 ] - [ -0.0000703400000000, -0.0004947100000000, -0.0001205300000000 ] - [ -0.0004543400000000, 0.0043053600000000, -0.0013926700000000 ] - [ 0.0000054000000000, -0.0004785400000000, 0.0000048800000000 ] - [ -0.0000722500000000, 0.0007294100000000, -0.0002934200000000 ] - [ -0.0000083000000000, -0.0002403300000000, 0.0001033400000000 ] - [ -0.0001143300000000, 0.0004797200000000, -0.0003173200000000 ] - [ 0.0001367600000000, -0.0005024900000000, -0.0000497800000000 ] - [ -0.0027773700000000, -0.0026877800000000, -0.0042981200000000 ] - [ 0.0001454200000000, -0.0006475800000000, 0.0000802600000000 ] - [ 0.0001728700000000, 0.0049063600000000, 0.0008443300000000 ] - [ -0.0001744100000000, -0.0006466400000000, 0.0000302100000000 ] - [ -0.0000711100000000, 0.0003331700000000, 0.0001352100000000 ] - [ 0.0000183100000000, -0.0003174300000000, -0.0000145600000000 ] - [ 0.0000605600000000, 0.0012347600000000, -0.0001143500000000 ] - [ 0.0000007200000000, -0.0003009600000000, -0.0000554800000000 ] - [ 0.0004298700000000, 0.0009414000000000, -0.0001120200000000 ] - [ -0.0000326200000000, -0.0003626600000000, 0.0000102200000000 ] - [ -0.0001600400000000, 0.0001561200000000, -0.0000570100000000 ] - [ -0.0000310400000000, -0.0004634400000000, -0.0002282100000000 ] - [ 0.0027701600000000, -0.0032535300000000, -0.0048012100000000 ] - [ -0.0001605700000000, -0.0007233500000000, -0.0001878300000000 ] - [ -0.0003574500000000, -0.0004311300000000, -0.0003734200000000 ] - [ 0.0002729600000000, 0.0002851100000000, 0.0004545200000000 ] - [ 0.0019685100000000, -0.0011588400000000, 0.0029245300000000 ] - [ -0.0001315900000000, -0.0006190500000000, 0.0000007800000000 ] - [ 0.0000429300000000, 0.0004339200000000, -0.0004775300000000 ] - [ 0.0001662400000000, -0.0003210900000000, 0.0002295500000000 ] - [ 0.0016467700000000, -0.0015769300000000, 0.0074808200000000 ] - [ 0.0000211400000000, -0.0008029000000000, 0.0001357700000000 ] - [ -0.0034974900000000, -0.0011684900000000, 0.0015323000000000 ] - [ -0.0000411800000000, -0.0004095200000000, -0.0001273500000000 ] - [ -0.0000587900000000, 0.0015319600000000, -0.0005731800000000 ] - [ 0.0001013600000000, -0.0005811000000000, 0.0001077200000000 ] - [ 0.0001855100000000, -0.0004586400000000, 0.0001811700000000 ] - [ 0.0028151700000000, -0.0018160500000000, -0.0010132900000000 ] - [ -0.0001645800000000, 0.0013797200000000, -0.0004019200000000 ] - [ -0.0000183500000000, -0.0003515300000000, 0.0000011600000000 ] - [ -0.0023152800000000, -0.0013713900000000, 0.0028419300000000 ] - [ 0.0001744000000000, -0.0006480300000000, 0.0002331600000000 ] - [ -0.0002480300000000, -0.0007103100000000, 0.0002504400000000 ] - [ 0.0001566000000000, -0.0007302500000000, -0.0005724600000000 ] - [ 0.0001388800000000, -0.0001889500000000, 0.0000269500000000 ] - [ -0.0001303100000000, -0.0001271700000000, 0.0000210900000000 ] - [ 0.0001943000000000, -0.0011407000000000, 0.0003225300000000 ] - [ -0.0009439800000000, -0.0025461800000000, 0.0003031800000000 ] - [ 0.0002004500000000, -0.0002475400000000, -0.0001355200000000 ] - [ -0.0001975600000000, -0.0002998300000000, 0.0000401600000000 ] - [ 0.0000838000000000, 0.0008982700000000, -0.0000207200000000 ] - [ 0.0000317000000000, -0.0005081800000000, 0.0000231000000000 ] - [ 0.0000664700000000, -0.0001671500000000, 0.0001378500000000 ] - [ -0.0006014200000000, -0.0007167800000000, 0.0001226600000000 ] - [ -0.0006158800000000, 0.0005903900000000, -0.0007998100000000 ] - [ 0.0000688300000000, -0.0003430100000000, 0.0000922100000000 ] - [ -0.0001637200000000, -0.0001805300000000, -0.0003058700000000 ] - [ 0.0002336000000000, 0.0002187400000000, 0.0003927800000000 ] - [ 0.0002821700000000, -0.0000848900000000, 0.0002316200000000 ] - [ -0.0003720900000000, -0.0003214500000000, -0.0004869900000000 ] - [ -0.0000135200000000, 0.0001358000000000, -0.0002632700000000 ] - [ -0.0000581900000000, -0.0005823700000000, -0.0001952000000000 ] - [ 0.0002041200000000, 0.0005850700000000, 0.0001751600000000 ] - [ -0.0000849600000000, -0.0004764500000000, -0.0002921800000000 ] - [ 0.0003817000000000, 0.0004624800000000, 0.0001276000000000 ] - [ -0.0003048700000000, -0.0003848300000000, -0.0001241800000000 ] - [ -0.0001721000000000, 0.0009457900000000, 0.0004092500000000 ] - [ -0.0000358600000000, -0.0003540600000000, -0.0000085600000000 ] - [ -0.0002107000000000, 0.0005282100000000, -0.0000239700000000 ] - [ 0.0001484300000000, -0.0002761700000000, 0.0001002500000000 ] - [ -0.0000874800000000, 0.0000978300000000, -0.0001910400000000 ] - [ 0.0000231900000000, -0.0005410100000000, 0.0002659500000000 ] - [ -0.0036986500000000, -0.0009311500000000, -0.0007405000000000 ] - [ -0.0000725700000000, -0.0003853300000000, -0.0001304300000000 ] - [ -0.0000005300000000, -0.0001970100000000, 0.0000770300000000 ] - [ 0.0000813700000000, 0.0000007400000000, -0.0001951100000000 ] - [ 0.0010699700000000, 0.0004409800000000, 0.0007771400000000 ] - [ 0.0003000900000000, -0.0004494900000000, 0.0000960000000000 ]- atom: 49 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ 0.0015186500000000, 0.0013881600000000, 0.0003431100000000 ] - [ -0.0000589300000000, 0.0000217400000000, 0.0001280800000000 ] - [ -0.0008294700000000, 0.0001408700000000, 0.0011305900000000 ] - [ -0.0002884700000000, -0.0003327500000000, 0.0001689600000000 ] - [ -0.0002922100000000, 0.0005026800000000, -0.0006657600000000 ] - [ -0.0002742300000000, -0.0003083200000000, -0.0000361400000000 ] - [ -0.0341824800000000, 0.0010601900000000, 0.0350195900000000 ] - [ -0.0000647500000000, -0.0000740500000000, 0.0001564400000000 ] - [ 0.0002576600000000, 0.0002802600000000, -0.0009589100000000 ] - [ 0.0002357500000000, 0.0000096000000000, -0.0013816600000000 ] - [ -0.0037945100000000, 0.0020682200000000, 0.0147083400000000 ] - [ 0.0001438300000000, -0.0003333900000000, 0.0002426400000000 ] - [ -0.0000555400000000, 0.0005218800000000, -0.0000219400000000 ] - [ 0.0001557500000000, -0.0002338700000000, 0.0002713300000000 ] - [ 0.0025596600000000, 0.0002309800000000, -0.0013665400000000 ] - [ 0.0000956800000000, -0.0000484000000000, 0.0000307300000000 ] - [ -0.0079503700000000, -0.0024327700000000, 0.0157772400000000 ] - [ 0.0000261200000000, -0.0003180400000000, 0.0000933800000000 ] - [ -0.0002723700000000, -0.0006297700000000, -0.0006212400000000 ] - [ -0.0001376200000000, -0.0001879100000000, 0.0001062000000000 ] - [ 0.0002121700000000, 0.0001075100000000, -0.0033672000000000 ] - [ 0.0000968000000000, 0.0001238000000000, -0.0002949500000000 ] - [ 0.0011554500000000, 0.0013241700000000, -0.0035609300000000 ] - [ 0.0001509300000000, -0.0006159400000000, -0.0007328100000000 ] - [ -0.0001767100000000, 0.0010373700000000, 0.0006646700000000 ] - [ -0.0034077000000000, -0.0029374900000000, 0.0010344400000000 ] - [ 0.0036226600000000, -0.0010586700000000, -0.0032386200000000 ] - [ 0.0001359900000000, 0.0002276900000000, 0.0000391100000000 ] - [ 0.0001283800000000, -0.0020566700000000, -0.0030801700000000 ] - [ 0.0000034200000000, 0.0003662100000000, -0.0002532200000000 ] - [ 0.0002159600000000, 0.0000487700000000, 0.0003670200000000 ] - [ 0.0004116900000000, -0.0000156500000000, 0.0004092300000000 ] - [ -0.0006405600000000, 0.0000671800000000, -0.0022191500000000 ] - [ 0.0001796300000000, 0.0000743700000000, -0.0001612000000000 ] - [ 0.0012581600000000, -0.0009289300000000, 0.0020342500000000 ] - [ 0.0002044500000000, -0.0001626400000000, 0.0004413200000000 ] - [ 0.0038379700000000, -0.0019386600000000, 0.0278094000000000 ] - [ -0.0002066200000000, 0.0000350100000000, 0.0001011800000000 ] - [ -0.0014777300000000, -0.0020195300000000, -0.0007604100000000 ] - [ -0.0014897900000000, 0.0022247800000000, 0.0002030100000000 ] - [ 0.0008526400000000, 0.0010695600000000, 0.0014749900000000 ] - [ 0.0002242500000000, -0.0003161400000000, 0.0002093200000000 ] - [ 0.0008016800000000, 0.0016970800000000, -0.0023602600000000 ] - [ 0.0002559500000000, -0.0007773000000000, -0.0000603300000000 ] - [ -0.0000440200000000, 0.0003277600000000, -0.0004416800000000 ] - [ -0.0004075300000000, -0.0000760300000000, -0.0015660600000000 ] - [ 0.0001323300000000, -0.0000797800000000, -0.0006283100000000 ] - [ -0.0000516000000000, -0.0001043300000000, -0.0002152500000000 ] - [ 0.0527463900000000, -0.0044921600000000, -0.0967075200000000 ] - [ 0.0001355500000000, 0.0001795100000000, -0.0003085700000000 ] - [ -0.0004142000000000, -0.0007132000000000, -0.0008496600000000 ] - [ 0.0000586400000000, 0.0001181000000000, -0.0001253500000000 ] - [ -0.0010151000000000, -0.0001239200000000, 0.0025233700000000 ] - [ -0.0002159000000000, -0.0000657000000000, 0.0006138700000000 ] - [ -0.0004826800000000, -0.0001904300000000, 0.0017538400000000 ] - [ -0.0000508100000000, 0.0001448000000000, 0.0001690100000000 ] - [ -0.0003424600000000, 0.0001868100000000, -0.0004655600000000 ] - [ -0.0005085300000000, -0.0003961400000000, -0.0005150400000000 ] - [ -0.0050508800000000, 0.0114048200000000, 0.0006619600000000 ] - [ -0.0001268000000000, -0.0001967200000000, -0.0001769400000000 ] - [ 0.0005813900000000, -0.0003118200000000, 0.0007664100000000 ] - [ 0.0001392900000000, -0.0000874700000000, 0.0000138200000000 ] - [ -0.0001175200000000, 0.0012649400000000, 0.0013243700000000 ] - [ 0.0001374200000000, -0.0015606700000000, 0.0013984400000000 ] - [ -0.0000296400000000, 0.0000071400000000, 0.0000851200000000 ] - [ -0.0004830500000000, 0.0003589400000000, 0.0003002600000000 ] - [ -0.0005192100000000, 0.0002582900000000, 0.0000196200000000 ] - [ -0.0000439100000000, 0.0000735000000000, 0.0000632200000000 ] - [ 0.0000181300000000, -0.0000471800000000, 0.0000975300000000 ] - [ -0.0000121100000000, 0.0000436800000000, 0.0001276100000000 ] - [ 0.0020388900000000, 0.0001770000000000, 0.0002579200000000 ] - [ -0.0000095100000000, 0.0000209000000000, -0.0000335800000000 ] - [ -0.0004710900000000, 0.0002408700000000, -0.0007742500000000 ] - [ -0.0000430100000000, 0.0002251200000000, -0.0001539900000000 ] - [ 0.0000718700000000, -0.0002548900000000, 0.0002357500000000 ] - [ 0.0000216400000000, -0.0000825300000000, -0.0000627600000000 ] - [ -0.0000708100000000, -0.0009689400000000, -0.0011148100000000 ] - [ 0.0000961800000000, -0.0001140200000000, -0.0000870400000000 ] - [ -0.0044291200000000, -0.0001040300000000, 0.0006973200000000 ] - [ 0.0000091500000000, -0.0000891400000000, 0.0000376500000000 ] - [ 0.0000848800000000, -0.0000640900000000, 0.0004013200000000 ] - [ 0.0000205300000000, 0.0000816900000000, 0.0000843800000000 ] - [ 0.0005651400000000, 0.0012741000000000, 0.0043832300000000 ] - [ 0.0000428100000000, 0.0001829700000000, 0.0001166800000000 ] - [ -0.0006381400000000, -0.0003090400000000, 0.0005756000000000 ] - [ -0.0000073900000000, 0.0001005300000000, 0.0000381400000000 ] - [ 0.0003436300000000, -0.0002161000000000, 0.0004151800000000 ] - [ 0.0000281500000000, -0.0000927500000000, 0.0000284900000000 ] - [ 0.0014431500000000, 0.0052871300000000, 0.0017808800000000 ] - [ 0.0000651600000000, -0.0000366000000000, -0.0002574300000000 ] - [ 0.0002185200000000, 0.0002094700000000, 0.0002627600000000 ] - [ 0.0001905300000000, 0.0000286600000000, 0.0003544900000000 ] - [ -0.0000082700000000, 0.0003112900000000, -0.0010422900000000 ] - [ 0.0001379200000000, 0.0000658800000000, -0.0000720700000000 ] - [ 0.0000263800000000, 0.0001088700000000, 0.0004538500000000 ] - [ 0.0000680700000000, -0.0000673900000000, 0.0002643500000000 ] - [ -0.0007778900000000, -0.0039615600000000, 0.0022685900000000 ] - [ -0.0000178400000000, 0.0000288700000000, -0.0000327500000000 ] - [ -0.0003017900000000, -0.0002941500000000, -0.0001999800000000 ] - [ -0.0000309000000000, 0.0001877300000000, -0.0001267900000000 ] - [ -0.0016781900000000, -0.0010587000000000, 0.0021426900000000 ] - [ -0.0000171700000000, 0.0000097700000000, -0.0000498700000000 ] - [ -0.0000121900000000, -0.0000447000000000, -0.0000823400000000 ] - [ -0.0005347500000000, 0.0005200500000000, -0.0007000000000000 ] - [ 0.0023192200000000, -0.0022759400000000, 0.0026456100000000 ] - [ 0.0000063700000000, 0.0001052800000000, 0.0000211200000000 ] - [ 0.0004091000000000, -0.0046992400000000, 0.0024922300000000 ] - [ -0.0000229200000000, 0.0002405000000000, -0.0000842300000000 ] - [ -0.0003757800000000, -0.0006470500000000, 0.0004011700000000 ] - [ -0.0001578400000000, 0.0008109500000000, 0.0007991000000000 ] - [ -0.0001269000000000, 0.0004824700000000, -0.0001245700000000 ] - [ -0.0001114400000000, -0.0005211200000000, -0.0001941000000000 ] - [ 0.0000272800000000, 0.0003978900000000, -0.0008149100000000 ] - [ 0.0000582600000000, 0.0004629000000000, -0.0015559200000000 ] - [ -0.0001941500000000, -0.0001071100000000, 0.0003278000000000 ] - [ -0.0002748900000000, -0.0003093000000000, 0.0003128000000000 ] - [ -0.0038909300000000, -0.0033582700000000, 0.0009830700000000 ] - [ -0.0000484000000000, 0.0000722100000000, -0.0000825000000000 ] - [ 0.0000275500000000, -0.0000587300000000, -0.0001129100000000 ] - [ 0.0004647700000000, 0.0000166100000000, -0.0002246600000000 ] - [ 0.0015624200000000, 0.0017991100000000, 0.0022385300000000 ] - [ 0.0000212800000000, -0.0000476100000000, 0.0000314700000000 ] - [ 0.0000145000000000, 0.0002207500000000, 0.0001405600000000 ] - [ 0.0000597000000000, 0.0001846600000000, 0.0003472500000000 ] - [ 0.0001941600000000, -0.0002994400000000, 0.0001423600000000 ] - [ 0.0003041100000000, 0.0006050900000000, 0.0004650100000000 ] - [ 0.0001599500000000, 0.0000347400000000, 0.0012386000000000 ] - [ -0.0000037800000000, -0.0001345300000000, 0.0002605900000000 ] - [ -0.0004476000000000, -0.0002581500000000, -0.0002207200000000 ] - [ 0.0000126600000000, 0.0000515300000000, -0.0000861200000000 ] - [ -0.0001246800000000, 0.0000782900000000, 0.0010255600000000 ] - [ -0.0000070100000000, 0.0000087900000000, 0.0001034700000000 ] - [ -0.0047962500000000, 0.0032519300000000, 0.0015875000000000 ] - [ -0.0000338400000000, -0.0000580500000000, -0.0000655900000000 ] - [ -0.0003942700000000, -0.0000521000000000, 0.0008020000000000 ] - [ -0.0000908800000000, 0.0001385400000000, 0.0001334400000000 ] - [ -0.0001201500000000, -0.0000887900000000, -0.0001745200000000 ] - [ -0.0000223900000000, -0.0001740300000000, 0.0000024200000000 ] - [ 0.0014187700000000, -0.0007139500000000, -0.0042380500000000 ] - [ 0.0000598300000000, 0.0001077100000000, -0.0001554600000000 ] - [ 0.0000692400000000, -0.0000607200000000, -0.0000718400000000 ] - [ 0.0000686200000000, 0.0000031800000000, -0.0000884000000000 ] - [ 0.0004164700000000, 0.0006041500000000, -0.0038730200000000 ] - [ -0.0000291300000000, 0.0000606700000000, -0.0000851600000000 ]- atom: 49 displacement: [ 0.0028919147919272, 0.0000000000000000, -0.0095727127208661 ] forces: - [ -0.0016616400000000, -0.0010896800000000, -0.0000541200000000 ] - [ -0.0000719600000000, 0.0002835900000000, 0.0001584700000000 ] - [ 0.0007986000000000, -0.0002084200000000, -0.0010118900000000 ] - [ 0.0002704100000000, 0.0002594800000000, -0.0000570200000000 ] - [ -0.0001003900000000, -0.0008622800000000, 0.0006465800000000 ] - [ -0.0001131500000000, -0.0000465200000000, 0.0000327900000000 ] - [ 0.0358857500000000, -0.0010335200000000, -0.0360459700000000 ] - [ 0.0000792300000000, 0.0001490300000000, -0.0002646500000000 ] - [ 0.0001338200000000, 0.0000790500000000, 0.0009610200000000 ] - [ 0.0001520100000000, 0.0003434000000000, 0.0013849000000000 ] - [ 0.0042463600000000, -0.0024226100000000, -0.0146872400000000 ] - [ 0.0002466100000000, -0.0000220600000000, -0.0002366800000000 ] - [ -0.0003380600000000, -0.0001653100000000, 0.0000247200000000 ] - [ -0.0005448300000000, 0.0005883700000000, -0.0002652100000000 ] - [ -0.0025943400000000, -0.0001602700000000, 0.0014782300000000 ] - [ -0.0001100900000000, 0.0001217900000000, 0.0000763600000000 ] - [ 0.0081572000000000, 0.0021357600000000, -0.0160812900000000 ] - [ 0.0001077600000000, 0.0000206200000000, -0.0003761000000000 ] - [ 0.0001284800000000, 0.0003300000000000, 0.0008953500000000 ] - [ 0.0000013600000000, -0.0001123700000000, 0.0001790100000000 ] - [ -0.0000683400000000, 0.0001984500000000, 0.0030860600000000 ] - [ 0.0000389700000000, 0.0001753500000000, 0.0000105000000000 ] - [ -0.0011343600000000, -0.0013872300000000, 0.0034532000000000 ] - [ -0.0001320600000000, 0.0005439100000000, 0.0006243200000000 ] - [ 0.0000444800000000, -0.0007314100000000, -0.0003791900000000 ] - [ 0.0032695600000000, 0.0032416400000000, -0.0007351500000000 ] - [ -0.0036400200000000, 0.0009887000000000, 0.0033604200000000 ] - [ -0.0001533200000000, -0.0003004500000000, 0.0000685100000000 ] - [ -0.0005104700000000, 0.0017181600000000, 0.0030787700000000 ] - [ -0.0003908800000000, -0.0007206700000000, 0.0002540900000000 ] - [ -0.0002085500000000, 0.0000184800000000, -0.0004732900000000 ] - [ -0.0003962300000000, 0.0000896300000000, -0.0005225400000000 ] - [ 0.0010226900000000, 0.0002826200000000, 0.0022100300000000 ] - [ 0.0002091000000000, 0.0002787500000000, 0.0001617200000000 ] - [ -0.0008745800000000, 0.0005816600000000, -0.0020399100000000 ] - [ 0.0001821700000000, -0.0001904800000000, -0.0004422500000000 ] - [ -0.0037378300000000, 0.0024095000000000, -0.0265761300000000 ] - [ -0.0001873500000000, 0.0003213000000000, -0.0001046000000000 ] - [ 0.0014661500000000, 0.0020904800000000, 0.0008659400000000 ] - [ 0.0014804000000000, -0.0021545800000000, -0.0000982300000000 ] - [ -0.0007153900000000, -0.0013739600000000, -0.0017744300000000 ] - [ -0.0000937300000000, 0.0000156500000000, -0.0004954000000000 ] - [ -0.0009306600000000, -0.0020109100000000, 0.0026500900000000 ] - [ -0.0003894800000000, 0.0004769700000000, 0.0003441900000000 ] - [ 0.0001766000000000, -0.0000261300000000, 0.0001570400000000 ] - [ 0.0005348900000000, 0.0003739200000000, 0.0012749700000000 ] - [ -0.0001177400000000, 0.0000063400000000, 0.0005263200000000 ] - [ 0.0000709800000000, 0.0000326600000000, 0.0001071500000000 ] - [ -0.0549199900000000, 0.0045719200000000, 0.0962581900000000 ] - [ -0.0000744200000000, -0.0000472100000000, 0.0001283100000000 ] - [ 0.0003588100000000, 0.0005793600000000, 0.0010236800000000 ] - [ -0.0001205000000000, -0.0002557600000000, 0.0003036100000000 ] - [ 0.0010752000000000, -0.0000141200000000, -0.0027034000000000 ] - [ 0.0002776200000000, -0.0000667000000000, -0.0007936100000000 ] - [ 0.0004328500000000, 0.0003212800000000, -0.0015713300000000 ] - [ -0.0000108900000000, -0.0000141900000000, 0.0000132600000000 ] - [ 0.0004149600000000, -0.0000535900000000, 0.0002861200000000 ] - [ 0.0005746300000000, 0.0005276400000000, 0.0003371700000000 ] - [ 0.0049440900000000, -0.0114856600000000, -0.0005387000000000 ] - [ 0.0000611000000000, 0.0000605000000000, 0.0003538000000000 ] - [ -0.0005092300000000, 0.0001793300000000, -0.0009423700000000 ] - [ -0.0000729300000000, -0.0000468400000000, -0.0001928500000000 ] - [ 0.0000469600000000, -0.0011365200000000, -0.0011403900000000 ] - [ -0.0002069600000000, 0.0017009300000000, -0.0012210900000000 ] - [ 0.0000282900000000, 0.0000079600000000, -0.0000861100000000 ] - [ 0.0004826900000000, -0.0003432100000000, -0.0003032800000000 ] - [ 0.0004689400000000, -0.0002012100000000, 0.0001592800000000 ] - [ -0.0000115900000000, -0.0000138700000000, 0.0001151200000000 ] - [ -0.0000724800000000, -0.0000129300000000, 0.0000801500000000 ] - [ -0.0000430800000000, -0.0001030900000000, 0.0000503500000000 ] - [ -0.0020244300000000, -0.0001990600000000, -0.0002356700000000 ] - [ 0.0000087600000000, -0.0000348500000000, 0.0000352400000000 ] - [ 0.0004435600000000, 0.0001116100000000, 0.0006219900000000 ] - [ 0.0000144600000000, 0.0001282100000000, -0.0000005300000000 ] - [ -0.0000585100000000, 0.0000616200000000, -0.0003894300000000 ] - [ -0.0000073600000000, -0.0001104000000000, -0.0000918300000000 ] - [ 0.0000790700000000, 0.0008413400000000, 0.0011345200000000 ] - [ -0.0000968700000000, -0.0000332200000000, 0.0000877300000000 ] - [ 0.0043994200000000, -0.0000914900000000, -0.0005521000000000 ] - [ -0.0000242000000000, -0.0001049300000000, 0.0001162400000000 ] - [ -0.0000863700000000, 0.0000783000000000, -0.0004051200000000 ] - [ -0.0000202900000000, -0.0000680800000000, -0.0000865000000000 ] - [ -0.0005373500000000, -0.0009247300000000, -0.0042330200000000 ] - [ -0.0000133600000000, 0.0001704800000000, 0.0000381700000000 ] - [ 0.0006377700000000, 0.0004556600000000, -0.0005782300000000 ] - [ 0.0000070000000000, 0.0000472100000000, -0.0000376700000000 ] - [ -0.0003707900000000, -0.0001362500000000, -0.0005667000000000 ] - [ -0.0000588700000000, -0.0002617700000000, -0.0001829900000000 ] - [ -0.0013994500000000, -0.0052516800000000, -0.0019497800000000 ] - [ -0.0000094900000000, 0.0000960600000000, 0.0000790700000000 ] - [ -0.0002179800000000, -0.0002095500000000, -0.0002636000000000 ] - [ -0.0001905700000000, -0.0000286900000000, -0.0003555700000000 ] - [ 0.0000118100000000, -0.0003371200000000, 0.0010565600000000 ] - [ -0.0001383100000000, -0.0000805900000000, 0.0000725200000000 ] - [ -0.0000430500000000, 0.0000830900000000, -0.0002971800000000 ] - [ -0.0000810800000000, 0.0002605800000000, -0.0001109300000000 ] - [ 0.0007943800000000, 0.0035725900000000, -0.0021233100000000 ] - [ 0.0000474800000000, -0.0003826200000000, 0.0001861600000000 ] - [ 0.0003402500000000, 0.0005045400000000, 0.0000355900000000 ] - [ 0.0000456900000000, 0.0000034300000000, -0.0000275400000000 ] - [ 0.0017274300000000, 0.0009963500000000, -0.0023182300000000 ] - [ 0.0000726300000000, -0.0000702100000000, -0.0001287200000000 ] - [ 0.0000111200000000, 0.0000460100000000, 0.0000820700000000 ] - [ 0.0005510000000000, -0.0005356800000000, 0.0006906700000000 ] - [ -0.0023051600000000, 0.0022769700000000, -0.0026329000000000 ] - [ -0.0000073700000000, -0.0000903900000000, -0.0000223100000000 ] - [ -0.0004693300000000, 0.0047844800000000, -0.0023246200000000 ] - [ -0.0000354900000000, -0.0001818000000000, 0.0002625800000000 ] - [ 0.0003166500000000, 0.0005849800000000, -0.0002231700000000 ] - [ 0.0000999500000000, -0.0008706400000000, -0.0006220500000000 ] - [ 0.0001277800000000, -0.0005004500000000, 0.0001283500000000 ] - [ 0.0001124000000000, 0.0005110800000000, 0.0001965800000000 ] - [ -0.0000585400000000, -0.0000432500000000, 0.0006582400000000 ] - [ -0.0000904500000000, -0.0001169300000000, 0.0014008600000000 ] - [ 0.0002109300000000, -0.0000877100000000, -0.0004831500000000 ] - [ 0.0002877200000000, 0.0001205200000000, -0.0004686900000000 ] - [ 0.0039035900000000, 0.0032273000000000, -0.0009870700000000 ] - [ 0.0000483900000000, -0.0002191000000000, 0.0000824600000000 ] - [ -0.0000406800000000, -0.0001333500000000, 0.0002665300000000 ] - [ -0.0004797500000000, -0.0002120500000000, 0.0003792200000000 ] - [ -0.0015561000000000, -0.0017708300000000, -0.0022291700000000 ] - [ -0.0000212600000000, 0.0000626500000000, -0.0000322300000000 ] - [ 0.0000163100000000, 0.0001352000000000, 0.0000161200000000 ] - [ -0.0000283400000000, 0.0001721300000000, -0.0001888400000000 ] - [ -0.0001926100000000, 0.0004447600000000, -0.0001419600000000 ] - [ -0.0003049300000000, -0.0004564700000000, -0.0004650500000000 ] - [ -0.0001917000000000, -0.0003865200000000, -0.0013967300000000 ] - [ -0.0000266300000000, -0.0002213100000000, -0.0004155500000000 ] - [ 0.0005083900000000, 0.0003198600000000, 0.0000452500000000 ] - [ 0.0000451000000000, 0.0000079600000000, -0.0000916500000000 ] - [ 0.0001277300000000, -0.0000767300000000, -0.0010261900000000 ] - [ 0.0000070100000000, -0.0000095100000000, -0.0001028800000000 ] - [ 0.0048147400000000, -0.0032858100000000, -0.0015946900000000 ] - [ 0.0000329700000000, 0.0000407300000000, 0.0000656400000000 ] - [ 0.0003828800000000, 0.0002438500000000, -0.0006482600000000 ] - [ 0.0000769300000000, 0.0000525700000000, 0.0000222800000000 ] - [ 0.0001498700000000, -0.0002639800000000, 0.0003282000000000 ] - [ 0.0000531500000000, -0.0001790800000000, 0.0001519300000000 ] - [ -0.0014694100000000, 0.0008733800000000, 0.0040705300000000 ] - [ -0.0000447000000000, 0.0000841600000000, -0.0000006400000000 ] - [ -0.0000108500000000, 0.0000011000000000, -0.0001064200000000 ] - [ -0.0000093900000000, -0.0000613800000000, -0.0000916000000000 ] - [ -0.0004342500000000, -0.0006009000000000, 0.0038682300000000 ] - [ 0.0000287700000000, -0.0000621100000000, 0.0000855900000000 ]- atom: 65 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ 0.0006143000000000, 0.0006485000000000, 0.0003985900000000 ] - [ 0.0004932700000000, -0.0000365900000000, 0.0000535800000000 ] - [ -0.0009862700000000, 0.0009453000000000, -0.0002092900000000 ] - [ -0.0002236900000000, -0.0003199600000000, -0.0001352900000000 ] - [ -0.0001300200000000, -0.0001777200000000, 0.0000071200000000 ] - [ 0.0001264800000000, -0.0005929100000000, 0.0014809400000000 ] - [ -0.0001233000000000, -0.0000058400000000, -0.0002177100000000 ] - [ -0.0003798300000000, 0.0001345100000000, 0.0000781100000000 ] - [ 0.0039227600000000, 0.0038077000000000, 0.0048079100000000 ] - [ 0.0002783000000000, 0.0001815900000000, -0.0000125800000000 ] - [ 0.0002549700000000, -0.0001685400000000, 0.0000003100000000 ] - [ 0.0005184000000000, 0.0002372500000000, 0.0014839600000000 ] - [ 0.0034964600000000, -0.0033598900000000, 0.0046669600000000 ] - [ -0.0001059400000000, 0.0001683700000000, -0.0000073300000000 ] - [ -0.0001383100000000, 0.0000797800000000, -0.0001090900000000 ] - [ -0.0003959100000000, -0.0000633900000000, 0.0001861100000000 ] - [ 0.0003434500000000, -0.0002699100000000, -0.0000114100000000 ] - [ 0.0002599000000000, 0.0001951800000000, 0.0001379900000000 ] - [ 0.0002026200000000, -0.0000293600000000, 0.0002788900000000 ] - [ 0.0001223500000000, -0.0004951600000000, 0.0004279900000000 ] - [ 0.0007553500000000, -0.0003430500000000, 0.0001137400000000 ] - [ 0.0006352500000000, 0.0003371400000000, -0.0002352900000000 ] - [ -0.0009593900000000, -0.0010270400000000, -0.0003298600000000 ] - [ -0.0002054600000000, 0.0002523200000000, -0.0002472600000000 ] - [ -0.0021176100000000, -0.0002475400000000, 0.0004524400000000 ] - [ -0.0001436400000000, 0.0001756800000000, 0.0001276500000000 ] - [ 0.0000805200000000, -0.0000879100000000, 0.0001261600000000 ] - [ 0.0056099300000000, -0.0068048500000000, -0.0000944900000000 ] - [ -0.0003097300000000, -0.0003373500000000, -0.0002257600000000 ] - [ -0.0003064900000000, -0.0001209300000000, -0.0000081500000000 ] - [ 0.0011830300000000, -0.0002359100000000, 0.0000793600000000 ] - [ 0.0000819200000000, 0.0000204600000000, 0.0000073600000000 ] - [ 0.0000364700000000, 0.0002856000000000, 0.0000535000000000 ] - [ -0.0004998800000000, -0.0008049000000000, -0.0001847800000000 ] - [ 0.0000762700000000, -0.0000123600000000, -0.0002284900000000 ] - [ 0.0000801600000000, -0.0002288700000000, -0.0000135700000000 ] - [ -0.0003482600000000, 0.0000625400000000, 0.0000599900000000 ] - [ -0.0008871600000000, 0.0011571700000000, -0.0001779500000000 ] - [ 0.0011665200000000, 0.0003077100000000, 0.0001939200000000 ] - [ 0.0000635400000000, 0.0000527800000000, 0.0001166400000000 ] - [ 0.0000141100000000, -0.0001257400000000, -0.0001795600000000 ] - [ -0.0009299000000000, -0.0000274600000000, -0.0013320600000000 ] - [ -0.0001247000000000, -0.0001739600000000, 0.0001119100000000 ] - [ -0.0010618900000000, -0.0002835500000000, -0.0010461700000000 ] - [ -0.0019803300000000, 0.0005527000000000, 0.0001540400000000 ] - [ -0.0000059200000000, 0.0001276300000000, -0.0001640100000000 ] - [ 0.0000981100000000, 0.0000194400000000, 0.0000180600000000 ] - [ 0.0053424400000000, 0.0064537800000000, -0.0000649900000000 ] - [ 0.0000437600000000, 0.0001570400000000, -0.0001168600000000 ] - [ 0.0002335200000000, -0.0005018800000000, -0.0005360700000000 ] - [ 0.0005517200000000, -0.0020412000000000, 0.0002525900000000 ] - [ -0.0001116500000000, 0.0000651700000000, 0.0002096600000000 ] - [ 0.0006017800000000, 0.0019023900000000, 0.0000767200000000 ] - [ -0.0000502500000000, -0.0001978300000000, 0.0000304600000000 ] - [ -0.0000191800000000, -0.0000252100000000, 0.0000637500000000 ] - [ 0.0001704600000000, 0.0006329200000000, -0.0003526600000000 ] - [ 0.0001872900000000, 0.0002320700000000, 0.0023736500000000 ] - [ 0.0000104500000000, 0.0000835800000000, -0.0000898500000000 ] - [ -0.0000366100000000, -0.0000308600000000, 0.0000534700000000 ] - [ 0.0042015200000000, 0.0000965300000000, -0.0036660500000000 ] - [ 0.0000277700000000, -0.0001020700000000, -0.0001270000000000 ] - [ 0.0042443300000000, -0.0002246100000000, -0.0038238500000000 ] - [ 0.0001182600000000, -0.0000942300000000, 0.0025463500000000 ] - [ -0.0000531100000000, 0.0000472300000000, 0.0000903200000000 ] - [ -0.0422304000000000, 0.0001671000000000, -0.0080987500000000 ] - [ -0.0000379700000000, 0.0000064200000000, -0.0000121100000000 ] - [ -0.0000518700000000, -0.0000704600000000, 0.0001554200000000 ] - [ -0.0000160800000000, 0.0001196200000000, 0.0000342800000000 ] - [ -0.0000370700000000, -0.0001900500000000, -0.0000169500000000 ] - [ 0.0001405100000000, 0.0006696800000000, 0.0004354800000000 ] - [ -0.0000452300000000, -0.0000098600000000, -0.0000416100000000 ] - [ -0.0001911400000000, -0.0000100100000000, -0.0003907200000000 ] - [ -0.0000062400000000, 0.0000787400000000, 0.0000225500000000 ] - [ -0.0000416600000000, 0.0003164900000000, -0.0000622500000000 ] - [ -0.0000945400000000, -0.0000559800000000, -0.0000690800000000 ] - [ -0.0001651200000000, 0.0003403900000000, -0.0003683800000000 ] - [ -0.0002138800000000, -0.0000738900000000, 0.0000178600000000 ] - [ -0.0000857900000000, -0.0000740100000000, -0.0000964200000000 ] - [ -0.0001004100000000, -0.0001355500000000, 0.0000890400000000 ] - [ -0.0001712100000000, -0.0005321300000000, -0.0002126500000000 ] - [ -0.0008272000000000, -0.0000058600000000, -0.0001610100000000 ] - [ -0.0000499900000000, 0.0000109000000000, -0.0000328800000000 ] - [ 0.0000274300000000, 0.0002668200000000, 0.0001762400000000 ] - [ -0.0000077000000000, 0.0000292000000000, 0.0000931300000000 ] - [ -0.0001201200000000, 0.0000722300000000, -0.0001487900000000 ] - [ -0.0012254600000000, 0.0000916600000000, 0.0000179400000000 ] - [ -0.0000172800000000, -0.0004316300000000, -0.0002799900000000 ] - [ -0.0000051700000000, -0.0000332600000000, -0.0000613000000000 ] - [ 0.0000010100000000, 0.0001317600000000, -0.0000260600000000 ] - [ 0.0000366800000000, -0.0000588100000000, -0.0001470900000000 ] - [ -0.0005485700000000, -0.0001456800000000, -0.0028434300000000 ] - [ -0.0000273200000000, -0.0000105200000000, -0.0000158700000000 ] - [ -0.0000274300000000, -0.0000065800000000, -0.0000090400000000 ] - [ -0.0001239100000000, -0.0000052600000000, -0.0004681200000000 ] - [ -0.0002919600000000, 0.0001997900000000, 0.0002092200000000 ] - [ -0.0001097500000000, 0.0001612000000000, 0.0000924200000000 ] - [ 0.0000158500000000, 0.0000876800000000, -0.0001260600000000 ] - [ 0.0000287800000000, -0.0003134500000000, 0.0000941600000000 ] - [ -0.0002884600000000, -0.0000101700000000, 0.0000538000000000 ] - [ -0.0001047600000000, 0.0000292600000000, -0.0000651800000000 ] - [ 0.0000148900000000, 0.0001282900000000, -0.0001971000000000 ] - [ 0.0001945400000000, -0.0007363000000000, 0.0002588600000000 ] - [ -0.0005632000000000, 0.0001469100000000, -0.0028336500000000 ] - [ -0.0000269200000000, 0.0000100200000000, -0.0000155100000000 ] - [ 0.0002456000000000, 0.0000070200000000, -0.0000718900000000 ] - [ 0.0002457900000000, 0.0000061000000000, 0.0001909700000000 ] - [ -0.0000309200000000, 0.0000483800000000, 0.0000973700000000 ] - [ -0.0000375300000000, -0.0000233600000000, 0.0000889500000000 ] - [ 0.0058096500000000, 0.0022673500000000, -0.0003051600000000 ] - [ -0.0000330200000000, -0.0000587200000000, 0.0000888400000000 ] - [ 0.0003485100000000, -0.0000095800000000, 0.0005215500000000 ] - [ 0.0000211100000000, -0.0000101000000000, 0.0000275500000000 ] - [ -0.0000673300000000, 0.0002979800000000, -0.0003503000000000 ] - [ -0.0000175200000000, 0.0001465600000000, -0.0000801900000000 ] - [ 0.0003454100000000, -0.0001742800000000, -0.0000654200000000 ] - [ 0.0000373400000000, -0.0001138300000000, -0.0000600600000000 ] - [ 0.0000379000000000, -0.0000738000000000, 0.0000161500000000 ] - [ 0.0002896500000000, -0.0000731300000000, 0.0001223000000000 ] - [ 0.0003420600000000, -0.0000153800000000, 0.0000913100000000 ] - [ 0.0000322100000000, -0.0000775700000000, 0.0000975000000000 ] - [ 0.0000242900000000, 0.0000097900000000, 0.0000232800000000 ] - [ 0.0005019500000000, 0.0000095700000000, 0.0005347200000000 ] - [ -0.0000313200000000, 0.0000491900000000, -0.0001916300000000 ] - [ 0.0000164600000000, 0.0001989000000000, 0.0000747400000000 ] - [ 0.0015904200000000, 0.0000751500000000, 0.0004845800000000 ] - [ 0.0000577900000000, 0.0000733700000000, 0.0000105000000000 ] - [ -0.0000185000000000, -0.0001404200000000, -0.0000684200000000 ] - [ 0.0029792800000000, -0.0016099200000000, 0.0034031800000000 ] - [ 0.0000221500000000, 0.0000125500000000, -0.0000840000000000 ] - [ 0.0000157900000000, 0.0000868600000000, -0.0000909300000000 ] - [ 0.0002018800000000, 0.0001651100000000, 0.0001238600000000 ] - [ 0.0002068500000000, 0.0001484200000000, 0.0000491600000000 ] - [ 0.0001390500000000, -0.0000072900000000, 0.0001977400000000 ] - [ 0.0001396300000000, -0.0000067000000000, -0.0000248500000000 ] - [ 0.0000325800000000, 0.0000936300000000, 0.0000756200000000 ] - [ 0.0005706500000000, 0.0000955200000000, -0.0001023700000000 ] - [ 0.0000159800000000, -0.0002061400000000, 0.0000873900000000 ] - [ 0.0029708000000000, 0.0012372900000000, 0.0035026700000000 ] - [ 0.0000375800000000, 0.0000970800000000, -0.0000823700000000 ] - [ 0.0005766100000000, 0.0000955500000000, -0.0002611300000000 ] - [ 0.0057321000000000, -0.0022800800000000, -0.0004748300000000 ] - [ 0.0000202700000000, -0.0000033900000000, -0.0000918700000000 ] - [ 0.0002021300000000, -0.0001648400000000, 0.0001235600000000 ] - [ 0.0002074500000000, -0.0001490700000000, 0.0000488000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002347000000000, -0.0005035100000000, 0.0009293500000000 ] - [ -0.0007897500000000, -0.0006416100000000, -0.0007393900000000 ] - [ 0.0006756200000000, 0.0000548600000000, -0.0002211900000000 ] - [ -0.0001488800000000, -0.0004198000000000, 0.0000525100000000 ] - [ -0.0002018600000000, -0.0005019800000000, -0.0000564400000000 ] - [ 0.0000230900000000, 0.0000096200000000, 0.0008408200000000 ] - [ 0.0000694900000000, -0.0001926500000000, -0.0001139500000000 ] - [ 0.0001315500000000, 0.0001863100000000, -0.0002341800000000 ] - [ 0.0040529000000000, 0.0060586800000000, 0.0053433200000000 ] - [ 0.0001782100000000, -0.0003196800000000, 0.0001064900000000 ] - [ 0.0002018600000000, -0.0005019800000000, 0.0000564400000000 ] - [ -0.0000230900000000, 0.0000096200000000, -0.0008408200000000 ] - [ -0.0040529000000000, 0.0060586800000000, -0.0053433200000000 ] - [ -0.0001782100000000, -0.0003196800000000, -0.0001064900000000 ] - [ -0.0000694900000000, -0.0001926500000000, 0.0001139500000000 ] - [ -0.0001315500000000, 0.0001863100000000, 0.0002341800000000 ] - [ -0.0000904800000000, -0.0002392900000000, -0.0000862100000000 ] - [ 0.0001550000000000, -0.0004004700000000, -0.0002584000000000 ] - [ 0.0000904800000000, -0.0002392900000000, 0.0000862100000000 ] - [ -0.0001550000000000, -0.0004004700000000, 0.0002584000000000 ] - [ -0.0002347000000000, -0.0005035100000000, -0.0009293500000000 ] - [ 0.0007897500000000, -0.0006416100000000, 0.0007393900000000 ] - [ -0.0006756200000000, 0.0000548600000000, 0.0002211900000000 ] - [ 0.0001488800000000, -0.0004198000000000, -0.0000525100000000 ] - [ 0.0004095800000000, 0.0014962300000000, 0.0005568000000000 ] - [ -0.0001458000000000, -0.0002234300000000, 0.0001020200000000 ] - [ -0.0001229700000000, -0.0004982400000000, 0.0001209800000000 ] - [ -0.0037691700000000, 0.0075180100000000, 0.0002958100000000 ] - [ -0.0002442800000000, -0.0000687500000000, -0.0000885400000000 ] - [ -0.0001887300000000, -0.0004033700000000, 0.0001377500000000 ] - [ -0.0006560500000000, 0.0004316700000000, 0.0004675400000000 ] - [ 0.0000356000000000, -0.0002726100000000, -0.0001187700000000 ] - [ 0.0002029100000000, -0.0000722100000000, -0.0000744900000000 ] - [ -0.0000520400000000, -0.0003375000000000, 0.0000742100000000 ] - [ 0.0002442800000000, -0.0000687500000000, 0.0000885400000000 ] - [ 0.0001887300000000, -0.0004033700000000, -0.0001377500000000 ] - [ -0.0002029100000000, -0.0000722100000000, 0.0000744900000000 ] - [ 0.0000520400000000, -0.0003375000000000, -0.0000742100000000 ] - [ 0.0006560500000000, 0.0004316700000000, -0.0004675400000000 ] - [ -0.0000356000000000, -0.0002726100000000, 0.0001187700000000 ] - [ 0.0000150800000000, -0.0005180900000000, -0.0001458700000000 ] - [ 0.0005801500000000, 0.0010864200000000, -0.0004976800000000 ] - [ -0.0000150800000000, -0.0005180900000000, 0.0001458700000000 ] - [ -0.0005801500000000, 0.0010864200000000, 0.0004976800000000 ] - [ -0.0004095800000000, 0.0014962300000000, -0.0005568000000000 ] - [ 0.0001458000000000, -0.0002234300000000, -0.0001020200000000 ] - [ 0.0001229700000000, -0.0004982400000000, -0.0001209800000000 ] - [ 0.0037691700000000, 0.0075180100000000, -0.0002958100000000 ] - [ 0.0000440700000000, 0.0002980900000000, -0.0000858700000000 ] - [ -0.0001152200000000, 0.0001740100000000, 0.0002342100000000 ] - [ -0.0013135900000000, 0.0010820400000000, 0.0000386100000000 ] - [ 0.0002493400000000, 0.0005422400000000, 0.0002501600000000 ] - [ 0.0013135900000000, 0.0010820400000000, -0.0000386100000000 ] - [ -0.0002493400000000, 0.0005422400000000, -0.0002501600000000 ] - [ -0.0000440700000000, 0.0002980900000000, 0.0000858700000000 ] - [ 0.0001152200000000, 0.0001740100000000, -0.0002342100000000 ] - [ -0.0006554500000000, -0.0013003500000000, -0.0026785400000000 ] - [ 0.0000680700000000, 0.0004259900000000, 0.0000237100000000 ] - [ 0.0000759000000000, 0.0002778500000000, 0.0000676600000000 ] - [ -0.0030237800000000, -0.0010082200000000, 0.0025941700000000 ] - [ -0.0000759000000000, 0.0002778500000000, -0.0000676600000000 ] - [ 0.0030237800000000, -0.0010082200000000, -0.0025941700000000 ] - [ 0.0006554500000000, -0.0013003500000000, 0.0026785400000000 ] - [ -0.0000680700000000, 0.0004259900000000, -0.0000237100000000 ] - [ 0.0000000000000000, -0.0403781300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002462900000000, 0.0000000000000000 ] - [ 0.0000123700000000, 0.0000267900000000, 0.0000138400000000 ] - [ -0.0000242400000000, 0.0001156600000000, 0.0000526800000000 ] - [ -0.0001114100000000, 0.0001551100000000, 0.0002120900000000 ] - [ 0.0001555500000000, 0.0002604700000000, 0.0002367100000000 ] - [ 0.0000000000000000, 0.0000562800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000436200000000, 0.0000000000000000 ] - [ -0.0000741400000000, 0.0003206200000000, -0.0003231900000000 ] - [ 0.0000506100000000, 0.0001353500000000, 0.0000634700000000 ] - [ -0.0001212200000000, 0.0000559800000000, -0.0000266400000000 ] - [ 0.0000623700000000, 0.0000857100000000, -0.0003764700000000 ] - [ 0.0000000000000000, -0.0000733100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000264400000000, 0.0000000000000000 ] - [ 0.0001212200000000, 0.0000559800000000, 0.0000266400000000 ] - [ -0.0000623700000000, 0.0000857100000000, 0.0003764700000000 ] - [ 0.0000000000000000, 0.0067632500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005871900000000, 0.0000000000000000 ] - [ 0.0000741400000000, 0.0003206200000000, 0.0003231900000000 ] - [ -0.0000506100000000, 0.0001353500000000, -0.0000634700000000 ] - [ 0.0000000000000000, 0.0006358200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0089414900000000, 0.0000000000000000 ] - [ -0.0000432500000000, -0.0001817500000000, 0.0000094600000000 ] - [ -0.0000049400000000, -0.0000630900000000, -0.0000883700000000 ] - [ -0.0000123700000000, 0.0000267900000000, -0.0000138400000000 ] - [ 0.0000242400000000, 0.0001156600000000, -0.0000526800000000 ] - [ -0.0002302100000000, -0.0011471900000000, -0.0006815000000000 ] - [ 0.0001066200000000, 0.0001527900000000, 0.0000415000000000 ] - [ 0.0000000000000000, 0.0000953600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002813900000000, 0.0000000000000000 ] - [ -0.0002295900000000, 0.0001375500000000, 0.0003796900000000 ] - [ -0.0000177100000000, 0.0002628100000000, -0.0000067200000000 ] - [ 0.0000432500000000, -0.0001817500000000, -0.0000094600000000 ] - [ 0.0000049400000000, -0.0000630900000000, 0.0000883700000000 ] - [ 0.0002295900000000, 0.0001375500000000, -0.0003796900000000 ] - [ 0.0000177100000000, 0.0002628100000000, 0.0000067200000000 ] - [ 0.0001114100000000, 0.0001551100000000, -0.0002120900000000 ] - [ -0.0001555500000000, 0.0002604700000000, -0.0002367100000000 ] - [ 0.0002302100000000, -0.0011471900000000, 0.0006815000000000 ] - [ -0.0001066200000000, 0.0001527900000000, -0.0000415000000000 ] - [ 0.0000000000000000, 0.0000846000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000849300000000, 0.0000000000000000 ] - [ -0.0000482600000000, 0.0001819300000000, 0.0000326000000000 ] - [ -0.0000691900000000, -0.0002335400000000, 0.0002776300000000 ] - [ 0.0019695700000000, -0.0004536300000000, -0.0004869100000000 ] - [ -0.0000177700000000, 0.0001538600000000, 0.0001717500000000 ] - [ 0.0000000000000000, -0.0001582400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000987800000000, 0.0000000000000000 ] - [ -0.0000048400000000, -0.0000606100000000, 0.0001649500000000 ] - [ -0.0000173700000000, 0.0002956900000000, -0.0001215300000000 ] - [ 0.0002149200000000, -0.0003182600000000, -0.0000890800000000 ] - [ -0.0000573200000000, 0.0000491900000000, -0.0001053800000000 ] - [ 0.0000000000000000, 0.0000553300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002896400000000, 0.0000000000000000 ] - [ -0.0002149200000000, -0.0003182600000000, 0.0000890800000000 ] - [ 0.0000573200000000, 0.0000491900000000, 0.0001053800000000 ] - [ 0.0000000000000000, 0.0001174500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001316800000000, 0.0000000000000000 ] - [ 0.0000048400000000, -0.0000606100000000, -0.0001649500000000 ] - [ 0.0000173700000000, 0.0002956900000000, 0.0001215300000000 ] - [ 0.0000000000000000, -0.0002096000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002240200000000, 0.0000000000000000 ] - [ -0.0000037800000000, -0.0000046300000000, -0.0000061300000000 ] - [ -0.0018111900000000, -0.0002653400000000, -0.0021344800000000 ] - [ 0.0000482600000000, 0.0001819300000000, -0.0000326000000000 ] - [ 0.0000691900000000, -0.0002335400000000, -0.0002776300000000 ] - [ 0.0001006500000000, 0.0000796000000000, 0.0000498300000000 ] - [ 0.0000497300000000, 0.0000569600000000, -0.0000521900000000 ] - [ 0.0000000000000000, 0.0001235100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000011500000000, 0.0000000000000000 ] - [ -0.0000463800000000, 0.0002154800000000, 0.0000672300000000 ] - [ 0.0002149200000000, -0.0000655400000000, -0.0000346900000000 ] - [ 0.0000037800000000, -0.0000046300000000, 0.0000061300000000 ] - [ 0.0018111900000000, -0.0002653400000000, 0.0021344800000000 ] - [ 0.0000463800000000, 0.0002154800000000, -0.0000672300000000 ] - [ -0.0002149200000000, -0.0000655400000000, 0.0000346900000000 ] - [ -0.0019695700000000, -0.0004536300000000, 0.0004869100000000 ] - [ 0.0000177700000000, 0.0001538600000000, -0.0001717500000000 ] - [ -0.0001006500000000, 0.0000796000000000, -0.0000498300000000 ] - [ -0.0000497300000000, 0.0000569600000000, 0.0000521900000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003643400000000, 0.0007997600000000, -0.0006369800000000 ] - [ 0.0006549400000000, 0.0009348000000000, 0.0010322200000000 ] - [ -0.0006903700000000, -0.0001228300000000, 0.0003265100000000 ] - [ 0.0001420700000000, 0.0003484100000000, 0.0000502000000000 ] - [ -0.0001886100000000, 0.0001458200000000, 0.0000516500000000 ] - [ -0.0004203400000000, -0.0003740300000000, -0.0008518900000000 ] - [ -0.0000547500000000, 0.0002641700000000, 0.0000074300000000 ] - [ -0.0001232600000000, -0.0001148900000000, 0.0001320000000000 ] - [ -0.0035461500000000, -0.0056425200000000, -0.0051928800000000 ] - [ 0.0002098600000000, 0.0006785500000000, -0.0001003400000000 ] - [ 0.0001886100000000, 0.0001458200000000, -0.0000516500000000 ] - [ 0.0004203400000000, -0.0003740300000000, 0.0008518900000000 ] - [ 0.0035461500000000, -0.0056425200000000, 0.0051928800000000 ] - [ -0.0002098600000000, 0.0006785500000000, 0.0001003400000000 ] - [ 0.0000547500000000, 0.0002641700000000, -0.0000074300000000 ] - [ 0.0001232600000000, -0.0001148900000000, -0.0001320000000000 ] - [ 0.0002309000000000, -0.0000526600000000, -0.0001990100000000 ] - [ -0.0000167200000000, 0.0001086700000000, -0.0000232900000000 ] - [ -0.0002309000000000, -0.0000526600000000, 0.0001990100000000 ] - [ 0.0000167200000000, 0.0001086700000000, 0.0000232900000000 ] - [ 0.0003643400000000, 0.0007997600000000, 0.0006369800000000 ] - [ -0.0006549400000000, 0.0009348000000000, -0.0010322200000000 ] - [ 0.0006903700000000, -0.0001228300000000, -0.0003265100000000 ] - [ -0.0001420700000000, 0.0003484100000000, -0.0000502000000000 ] - [ -0.0005500500000000, -0.0012061700000000, -0.0002767600000000 ] - [ 0.0000023100000000, 0.0005143400000000, 0.0001829600000000 ] - [ 0.0001029300000000, 0.0004288400000000, -0.0000181700000000 ] - [ 0.0039335500000000, -0.0076801900000000, -0.0002543300000000 ] - [ -0.0001511300000000, -0.0002870700000000, 0.0000789400000000 ] - [ -0.0002051900000000, 0.0000433100000000, -0.0001458600000000 ] - [ 0.0006671600000000, -0.0003573500000000, -0.0005707800000000 ] - [ -0.0000209900000000, 0.0003439600000000, 0.0000169800000000 ] - [ 0.0001924100000000, 0.0004331500000000, 0.0000859200000000 ] - [ 0.0004462100000000, 0.0006942700000000, -0.0000653400000000 ] - [ 0.0001511300000000, -0.0002870700000000, -0.0000789400000000 ] - [ 0.0002051900000000, 0.0000433100000000, 0.0001458600000000 ] - [ -0.0001924100000000, 0.0004331500000000, -0.0000859200000000 ] - [ -0.0004462100000000, 0.0006942700000000, 0.0000653400000000 ] - [ -0.0006671600000000, -0.0003573500000000, 0.0005707800000000 ] - [ 0.0000209900000000, 0.0003439600000000, -0.0000169800000000 ] - [ 0.0001307600000000, 0.0002307900000000, -0.0001365400000000 ] - [ -0.0004384700000000, -0.0013828500000000, 0.0002151900000000 ] - [ -0.0001307600000000, 0.0002307900000000, 0.0001365400000000 ] - [ 0.0004384700000000, -0.0013828500000000, -0.0002151900000000 ] - [ 0.0005500500000000, -0.0012061700000000, 0.0002767600000000 ] - [ -0.0000023100000000, 0.0005143400000000, -0.0001829600000000 ] - [ -0.0001029300000000, 0.0004288400000000, 0.0000181700000000 ] - [ -0.0039335500000000, -0.0076801900000000, 0.0002543300000000 ] - [ 0.0000199000000000, -0.0001650200000000, -0.0000949800000000 ] - [ 0.0001769000000000, -0.0000376000000000, -0.0004128200000000 ] - [ 0.0012504700000000, -0.0012258200000000, 0.0001384100000000 ] - [ -0.0003159300000000, -0.0006787900000000, -0.0000712700000000 ] - [ -0.0012504700000000, -0.0012258200000000, -0.0001384100000000 ] - [ 0.0003159300000000, -0.0006787900000000, 0.0000712700000000 ] - [ -0.0000199000000000, -0.0001650200000000, 0.0000949800000000 ] - [ -0.0001769000000000, -0.0000376000000000, 0.0004128200000000 ] - [ 0.0007193000000000, 0.0014282000000000, 0.0024905700000000 ] - [ -0.0000051400000000, -0.0002927500000000, -0.0002034600000000 ] - [ -0.0001383900000000, -0.0004113600000000, 0.0001105900000000 ] - [ 0.0029663600000000, 0.0008764700000000, -0.0024231900000000 ] - [ 0.0001383900000000, -0.0004113600000000, -0.0001105900000000 ] - [ -0.0029663600000000, 0.0008764700000000, 0.0024231900000000 ] - [ -0.0007193000000000, 0.0014282000000000, -0.0024905700000000 ] - [ 0.0000051400000000, -0.0002927500000000, 0.0002034600000000 ] - [ 0.0000000000000000, 0.0405716800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002281600000000, 0.0000000000000000 ] - [ -0.0000687600000000, 0.0000318600000000, 0.0001670000000000 ] - [ -0.0000318200000000, -0.0000555500000000, 0.0001277700000000 ] - [ 0.0000540600000000, -0.0002156400000000, -0.0000322300000000 ] - [ -0.0002115500000000, -0.0003193500000000, -0.0000550600000000 ] - [ 0.0000000000000000, -0.0000716200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000590100000000, 0.0000000000000000 ] - [ 0.0000447200000000, 0.0000279700000000, 0.0001678600000000 ] - [ -0.0000799900000000, 0.0002145500000000, -0.0002189000000000 ] - [ 0.0001297000000000, -0.0002453700000000, -0.0001261800000000 ] - [ -0.0000545800000000, -0.0002743600000000, 0.0002234400000000 ] - [ 0.0000000000000000, -0.0000739400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001731000000000, 0.0000000000000000 ] - [ -0.0001297000000000, -0.0002453700000000, 0.0001261800000000 ] - [ 0.0000545800000000, -0.0002743600000000, -0.0002234400000000 ] - [ 0.0000000000000000, -0.0065664900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005795100000000, 0.0000000000000000 ] - [ -0.0000447200000000, 0.0000279700000000, -0.0001678600000000 ] - [ 0.0000799900000000, 0.0002145500000000, 0.0002189000000000 ] - [ 0.0000000000000000, -0.0004840200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0090539000000000, 0.0000000000000000 ] - [ 0.0000138600000000, -0.0001686200000000, -0.0001633200000000 ] - [ -0.0000248500000000, -0.0002852400000000, -0.0000650500000000 ] - [ 0.0000687600000000, 0.0000318600000000, -0.0001670000000000 ] - [ 0.0000318200000000, -0.0000555500000000, -0.0001277700000000 ] - [ 0.0002361800000000, 0.0011514700000000, 0.0006563200000000 ] - [ -0.0001073100000000, -0.0001531900000000, -0.0000408200000000 ] - [ 0.0000000000000000, -0.0001135700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002630600000000, 0.0000000000000000 ] - [ 0.0002208800000000, 0.0000498400000000, -0.0002257300000000 ] - [ 0.0000091500000000, -0.0000741200000000, 0.0001613900000000 ] - [ -0.0000138600000000, -0.0001686200000000, 0.0001633200000000 ] - [ 0.0000248500000000, -0.0002852400000000, 0.0000650500000000 ] - [ -0.0002208800000000, 0.0000498400000000, 0.0002257300000000 ] - [ -0.0000091500000000, -0.0000741200000000, -0.0001613900000000 ] - [ -0.0000540600000000, -0.0002156400000000, 0.0000322300000000 ] - [ 0.0002115500000000, -0.0003193500000000, 0.0000550600000000 ] - [ -0.0002361800000000, 0.0011514700000000, -0.0006563200000000 ] - [ 0.0001073100000000, -0.0001531900000000, 0.0000408200000000 ] - [ 0.0000000000000000, -0.0000670800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000666100000000, 0.0000000000000000 ] - [ -0.0000102900000000, -0.0001227000000000, 0.0001475400000000 ] - [ 0.0000104300000000, 0.0002935400000000, -0.0000974100000000 ] - [ -0.0020217100000000, 0.0003854700000000, 0.0006680100000000 ] - [ -0.0000396600000000, -0.0002134400000000, 0.0000075600000000 ] - [ 0.0000000000000000, 0.0001439200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001130400000000, 0.0000000000000000 ] - [ -0.0000259000000000, 0.0004093500000000, -0.0003191000000000 ] - [ -0.0000135600000000, 0.0000529900000000, -0.0000321200000000 ] - [ -0.0002083000000000, 0.0001289000000000, -0.0000645100000000 ] - [ 0.0000648800000000, -0.0002379600000000, -0.0000481300000000 ] - [ 0.0000000000000000, -0.0002029500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001432400000000, 0.0000000000000000 ] - [ 0.0002083000000000, 0.0001289000000000, 0.0000645100000000 ] - [ -0.0000648800000000, -0.0002379600000000, 0.0000481300000000 ] - [ 0.0000000000000000, -0.0001026300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001468600000000, 0.0000000000000000 ] - [ 0.0000259000000000, 0.0004093500000000, 0.0003191000000000 ] - [ 0.0000135600000000, 0.0000529900000000, 0.0000321200000000 ] - [ 0.0000000000000000, 0.0003561800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000773000000000, 0.0000000000000000 ] - [ -0.0000272900000000, -0.0003444700000000, -0.0001478800000000 ] - [ 0.0017930600000000, -0.0000833700000000, 0.0019890400000000 ] - [ 0.0000102900000000, -0.0001227000000000, -0.0001475400000000 ] - [ -0.0000104300000000, 0.0002935400000000, 0.0000974100000000 ] - [ -0.0001009000000000, -0.0000802900000000, -0.0000497300000000 ] - [ -0.0000492100000000, -0.0000568300000000, 0.0000521100000000 ] - [ 0.0000000000000000, -0.0001420600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000196700000000, 0.0000000000000000 ] - [ 0.0000391100000000, -0.0000265500000000, 0.0000858500000000 ] - [ -0.0002221300000000, 0.0002543600000000, 0.0001884500000000 ] - [ 0.0000272900000000, -0.0003444700000000, 0.0001478800000000 ] - [ -0.0017930600000000, -0.0000833700000000, -0.0019890400000000 ] - [ -0.0000391100000000, -0.0000265500000000, -0.0000858500000000 ] - [ 0.0002221300000000, 0.0002543600000000, -0.0001884500000000 ] - [ 0.0020217100000000, 0.0003854700000000, -0.0006680100000000 ] - [ 0.0000396600000000, -0.0002134400000000, -0.0000075600000000 ] - [ 0.0001009000000000, -0.0000802900000000, 0.0000497300000000 ] - [ 0.0000492100000000, -0.0000568300000000, -0.0000521100000000 ]- atom: 65 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ 0.0003647500000000, 0.0007520800000000, 0.0003825800000000 ] - [ -0.0003170700000000, 0.0000168300000000, 0.0003294500000000 ] - [ -0.0005631400000000, -0.0004429400000000, 0.0008882400000000 ] - [ 0.0000806200000000, 0.0001030500000000, 0.0002153400000000 ] - [ -0.0001659200000000, -0.0002079600000000, -0.0000399000000000 ] - [ 0.0002989500000000, 0.0005996600000000, -0.0012034000000000 ] - [ -0.0000227800000000, -0.0000111300000000, -0.0002503900000000 ] - [ 0.0001804200000000, 0.0000724600000000, -0.0004567600000000 ] - [ 0.0039345600000000, 0.0039414100000000, 0.0078005300000000 ] - [ 0.0001565300000000, 0.0001601500000000, 0.0000394200000000 ] - [ 0.0002131200000000, -0.0001379400000000, -0.0000497600000000 ] - [ 0.0006713100000000, -0.0009412800000000, -0.0012188700000000 ] - [ 0.0033985700000000, -0.0034788000000000, 0.0076606700000000 ] - [ -0.0002228600000000, 0.0001838700000000, 0.0000439600000000 ] - [ -0.0000452800000000, 0.0000861600000000, -0.0001383900000000 ] - [ 0.0001643600000000, 0.0000017400000000, -0.0003480600000000 ] - [ 0.0003183200000000, 0.0000115200000000, -0.0003285700000000 ] - [ 0.0000108300000000, -0.0004206800000000, -0.0003960400000000 ] - [ 0.0001903100000000, -0.0003201600000000, -0.0000379700000000 ] - [ -0.0001192600000000, 0.0001160000000000, -0.0001089100000000 ] - [ 0.0004949100000000, -0.0004463600000000, 0.0000976800000000 ] - [ -0.0001841800000000, 0.0002876300000000, 0.0000452500000000 ] - [ -0.0005413100000000, 0.0003716900000000, 0.0007817500000000 ] - [ 0.0001015900000000, -0.0001765700000000, 0.0001053000000000 ] - [ 0.0007549000000000, 0.0007267600000000, 0.0003674400000000 ] - [ -0.0000600500000000, 0.0001276300000000, 0.0001639400000000 ] - [ 0.0000245100000000, -0.0000799400000000, 0.0001622000000000 ] - [ -0.0033843800000000, 0.0045195400000000, 0.0015684100000000 ] - [ -0.0003406000000000, -0.0003598900000000, -0.0001831600000000 ] - [ -0.0001534700000000, -0.0001118200000000, -0.0000243900000000 ] - [ 0.0000876000000000, 0.0005335800000000, -0.0015589100000000 ] - [ -0.0000019700000000, 0.0000480400000000, -0.0001256300000000 ] - [ 0.0001327300000000, 0.0000857300000000, 0.0001023300000000 ] - [ 0.0004979700000000, 0.0008108800000000, 0.0002307900000000 ] - [ 0.0000434300000000, 0.0000148900000000, -0.0001883500000000 ] - [ 0.0002278100000000, -0.0002376800000000, -0.0000317500000000 ] - [ -0.0002492200000000, 0.0002602400000000, 0.0001074800000000 ] - [ 0.0001151600000000, -0.0004684900000000, 0.0002337300000000 ] - [ 0.0000481800000000, -0.0004670900000000, -0.0014489200000000 ] - [ -0.0000256800000000, 0.0000257500000000, -0.0000168900000000 ] - [ 0.0000588900000000, -0.0001111200000000, -0.0001731500000000 ] - [ -0.0005050100000000, -0.0005294300000000, -0.0006203800000000 ] - [ -0.0000745000000000, -0.0001942300000000, 0.0001155500000000 ] - [ -0.0006361400000000, 0.0002240200000000, -0.0003307700000000 ] - [ 0.0008834700000000, -0.0004219400000000, 0.0000848100000000 ] - [ 0.0000720200000000, 0.0001789300000000, -0.0001236700000000 ] - [ 0.0000501600000000, 0.0000095100000000, 0.0000535600000000 ] - [ -0.0035093300000000, -0.0046972700000000, 0.0014834000000000 ] - [ -0.0000579800000000, 0.0000099600000000, -0.0000248500000000 ] - [ -0.0001902000000000, 0.0005272700000000, 0.0002884200000000 ] - [ 0.0013012300000000, -0.0022953500000000, -0.0005474100000000 ] - [ 0.0000453500000000, -0.0001016400000000, 0.0000015000000000 ] - [ 0.0013705600000000, 0.0021795600000000, -0.0007369000000000 ] - [ 0.0001079100000000, -0.0000248000000000, -0.0001825900000000 ] - [ -0.0001235100000000, 0.0001181000000000, 0.0001592000000000 ] - [ -0.0002562800000000, -0.0004002800000000, 0.0004711400000000 ] - [ 0.0008721200000000, 0.0003957000000000, 0.0021055100000000 ] - [ 0.0000281000000000, 0.0000583000000000, -0.0000738900000000 ] - [ -0.0000206200000000, -0.0000652000000000, 0.0000413100000000 ] - [ -0.0028215600000000, -0.0004915300000000, 0.0022960500000000 ] - [ 0.0000435800000000, -0.0000608000000000, -0.0001442800000000 ] - [ -0.0027531500000000, 0.0003687300000000, 0.0021064300000000 ] - [ 0.0008116600000000, -0.0002666300000000, 0.0022836200000000 ] - [ -0.0000365300000000, 0.0000701800000000, 0.0001102800000000 ] - [ 0.0044379600000000, -0.0000123200000000, -0.0377387600000000 ] - [ -0.0000007400000000, 0.0000084000000000, -0.0000026100000000 ] - [ -0.0000676600000000, -0.0001206200000000, 0.0002740900000000 ] - [ -0.0000587100000000, -0.0000263800000000, 0.0001674000000000 ] - [ 0.0000196700000000, -0.0001471400000000, -0.0000476700000000 ] - [ -0.0001308200000000, -0.0005097500000000, -0.0002311500000000 ] - [ 0.0000042500000000, -0.0000083700000000, 0.0000511800000000 ] - [ 0.0001244200000000, -0.0000093000000000, 0.0003222600000000 ] - [ 0.0000130500000000, 0.0000646900000000, 0.0000498700000000 ] - [ -0.0000019900000000, 0.0002315800000000, -0.0000228000000000 ] - [ -0.0000856600000000, -0.0000030700000000, -0.0000747000000000 ] - [ 0.0000712100000000, -0.0005226500000000, 0.0001122200000000 ] - [ -0.0002129400000000, -0.0000717800000000, 0.0002066700000000 ] - [ 0.0000464300000000, -0.0000724800000000, 0.0000830200000000 ] - [ -0.0000955300000000, -0.0001860500000000, 0.0000787800000000 ] - [ 0.0000608600000000, 0.0003313500000000, 0.0002651000000000 ] - [ 0.0001146800000000, -0.0000045300000000, -0.0009744700000000 ] - [ 0.0000071500000000, 0.0000100400000000, -0.0000191100000000 ] - [ 0.0000409600000000, 0.0002851900000000, 0.0002016200000000 ] - [ 0.0000255800000000, 0.0001176800000000, 0.0001287300000000 ] - [ -0.0001159000000000, 0.0000711800000000, -0.0001542300000000 ] - [ 0.0003986200000000, 0.0000900700000000, -0.0010494800000000 ] - [ -0.0000368700000000, -0.0000845300000000, -0.0001402500000000 ] - [ -0.0000251600000000, -0.0002721700000000, -0.0001272500000000 ] - [ -0.0000119100000000, 0.0001817300000000, 0.0000949400000000 ] - [ -0.0000038700000000, 0.0000866800000000, -0.0000118900000000 ] - [ -0.0016753500000000, -0.0003586100000000, 0.0072603900000000 ] - [ 0.0000011800000000, 0.0000027500000000, -0.0000033700000000 ] - [ -0.0000007700000000, -0.0000073900000000, 0.0000121100000000 ] - [ -0.0004117100000000, -0.0000084900000000, 0.0011018900000000 ] - [ -0.0002234800000000, 0.0004823800000000, 0.0002147300000000 ] - [ 0.0000634600000000, 0.0000245000000000, 0.0000734900000000 ] - [ -0.0000091800000000, -0.0002644400000000, 0.0000118600000000 ] - [ 0.0000029700000000, -0.0000771000000000, 0.0000239600000000 ] - [ -0.0002126800000000, -0.0002913800000000, 0.0000629700000000 ] - [ 0.0000732400000000, 0.0001653700000000, -0.0000800700000000 ] - [ 0.0000739200000000, 0.0000874900000000, -0.0002275700000000 ] - [ -0.0000756500000000, 0.0004461500000000, -0.0004086600000000 ] - [ -0.0016281600000000, 0.0003463200000000, 0.0070805700000000 ] - [ 0.0000014000000000, -0.0000019700000000, -0.0000038800000000 ] - [ 0.0001118100000000, 0.0000080000000000, -0.0000681400000000 ] - [ -0.0001403400000000, 0.0000074500000000, -0.0001444900000000 ] - [ -0.0000405300000000, 0.0000400600000000, 0.0001123000000000 ] - [ -0.0000924800000000, -0.0002056800000000, 0.0003996600000000 ] - [ -0.0022529700000000, -0.0012147300000000, -0.0005507800000000 ] - [ -0.0000163800000000, -0.0000141500000000, 0.0000755200000000 ] - [ 0.0002387600000000, -0.0000090800000000, 0.0003544900000000 ] - [ 0.0000048900000000, -0.0000081400000000, 0.0000140400000000 ] - [ -0.0000367300000000, 0.0000380100000000, 0.0003512000000000 ] - [ -0.0000159400000000, 0.0001880200000000, -0.0000613000000000 ] - [ 0.0000580700000000, -0.0000422600000000, -0.0001510000000000 ] - [ -0.0000056800000000, -0.0000913200000000, -0.0000919000000000 ] - [ 0.0000111400000000, -0.0000729600000000, 0.0000236700000000 ] - [ 0.0000584300000000, -0.0000732100000000, 0.0002546800000000 ] - [ 0.0000486600000000, -0.0001473600000000, 0.0000021800000000 ] - [ -0.0000146600000000, -0.0000977000000000, 0.0000607600000000 ] - [ -0.0000040200000000, 0.0000086700000000, -0.0000188600000000 ] - [ -0.0003022200000000, 0.0000085100000000, -0.0004260100000000 ] - [ -0.0000088700000000, 0.0003117900000000, 0.0005025300000000 ] - [ 0.0000133600000000, 0.0001620900000000, 0.0000910100000000 ] - [ -0.0003921000000000, 0.0000709100000000, -0.0004070100000000 ] - [ -0.0000203200000000, 0.0000735100000000, -0.0000146200000000 ] - [ -0.0000148100000000, -0.0001464300000000, -0.0000868000000000 ] - [ 0.0018520400000000, -0.0010440400000000, 0.0006810000000000 ] - [ 0.0000164000000000, 0.0000209100000000, -0.0000667700000000 ] - [ -0.0000367100000000, 0.0002649000000000, 0.0002204300000000 ] - [ 0.0001126300000000, 0.0001035400000000, 0.0000331500000000 ] - [ -0.0001170600000000, -0.0001075100000000, -0.0000172400000000 ] - [ 0.0001491800000000, -0.0000084500000000, 0.0002256200000000 ] - [ -0.0000645000000000, -0.0000079100000000, 0.0000483200000000 ] - [ 0.0000005800000000, 0.0001062300000000, 0.0000840800000000 ] - [ -0.0000531800000000, -0.0000161900000000, 0.0001747800000000 ] - [ 0.0000148200000000, -0.0002024300000000, 0.0000646600000000 ] - [ 0.0018703000000000, 0.0006925100000000, 0.0008313600000000 ] - [ 0.0000098800000000, 0.0000839900000000, -0.0000696200000000 ] - [ -0.0000447700000000, 0.0002048900000000, 0.0000215400000000 ] - [ -0.0022033800000000, 0.0011556300000000, -0.0007379400000000 ] - [ 0.0000406000000000, -0.0000456300000000, -0.0001034700000000 ] - [ 0.0001129700000000, -0.0001029300000000, 0.0000322700000000 ] - [ -0.0001176200000000, 0.0001069300000000, -0.0000175800000000 ]- atom: 67 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ 0.0007911600000000, 0.0000617600000000, 0.0008499400000000 ] - [ -0.0000462400000000, 0.0001852600000000, 0.0001572300000000 ] - [ -0.0004872100000000, -0.0000416000000000, 0.0007963200000000 ] - [ -0.0000199100000000, 0.0000024000000000, 0.0001103600000000 ] - [ 0.0000472200000000, -0.0007376300000000, 0.0000018700000000 ] - [ -0.0002104800000000, 0.0003653300000000, 0.0001169500000000 ] - [ -0.0014038900000000, 0.0003636700000000, 0.0005793900000000 ] - [ -0.0000769900000000, 0.0000377700000000, -0.0000714200000000 ] - [ 0.0000081300000000, 0.0001849700000000, 0.0002331900000000 ] - [ 0.0001319300000000, 0.0001750200000000, -0.0000046600000000 ] - [ 0.0000079800000000, -0.0002685100000000, -0.0003299900000000 ] - [ 0.0000273400000000, 0.0000333600000000, -0.0001698300000000 ] - [ 0.0005164800000000, -0.0001808700000000, 0.0002462300000000 ] - [ -0.0001543000000000, 0.0002707600000000, 0.0000749000000000 ] - [ 0.0047084100000000, -0.0033302100000000, -0.0010673800000000 ] - [ 0.0001284500000000, 0.0001248100000000, 0.0000020900000000 ] - [ -0.0008757600000000, -0.0009507900000000, -0.0010560200000000 ] - [ 0.0000534100000000, -0.0000950000000000, -0.0001730400000000 ] - [ 0.0089316900000000, 0.0004982700000000, -0.0042889400000000 ] - [ -0.0000798600000000, -0.0000581100000000, 0.0001358900000000 ] - [ -0.0004434900000000, 0.0002055900000000, -0.0000331300000000 ] - [ 0.0000342000000000, 0.0001925400000000, -0.0001346500000000 ] - [ -0.0001673100000000, -0.0002344700000000, -0.0003054000000000 ] - [ 0.0000164300000000, 0.0000170000000000, -0.0000607200000000 ] - [ -0.0003362600000000, 0.0000210100000000, 0.0000792600000000 ] - [ -0.0001216400000000, 0.0002115000000000, 0.0001906100000000 ] - [ -0.0000445900000000, -0.0000375600000000, 0.0000535600000000 ] - [ -0.0000614600000000, 0.0000187100000000, -0.0000419700000000 ] - [ -0.0011393100000000, -0.0008549600000000, -0.0008235000000000 ] - [ -0.0002014100000000, -0.0001027700000000, -0.0000301300000000 ] - [ 0.0054664500000000, -0.0048397900000000, 0.0007282400000000 ] - [ 0.0001637600000000, 0.0001749800000000, -0.0001078600000000 ] - [ 0.0006716700000000, 0.0001231500000000, 0.0003139200000000 ] - [ 0.0002616000000000, 0.0002802000000000, 0.0000346500000000 ] - [ 0.0030592000000000, -0.0012391300000000, 0.0009165900000000 ] - [ 0.0001819200000000, -0.0000762700000000, 0.0000010900000000 ] - [ -0.0003655500000000, 0.0002987500000000, 0.0000500500000000 ] - [ -0.0002218400000000, 0.0001729000000000, 0.0000430300000000 ] - [ -0.0013574400000000, 0.0004529400000000, 0.0006689500000000 ] - [ -0.0001186200000000, 0.0000451600000000, 0.0000190300000000 ] - [ 0.0001044800000000, 0.0002743600000000, -0.0000520500000000 ] - [ 0.0001051900000000, -0.0007122700000000, -0.0001445100000000 ] - [ -0.0002826000000000, 0.0000723200000000, 0.0000218400000000 ] - [ -0.0003435400000000, -0.0002984000000000, -0.0001823800000000 ] - [ 0.0003931100000000, 0.0002117700000000, 0.0004176800000000 ] - [ 0.0002693500000000, 0.0001470500000000, -0.0001914900000000 ] - [ 0.0001365700000000, -0.0002685400000000, 0.0003965100000000 ] - [ -0.0000843800000000, -0.0000566500000000, 0.0001918200000000 ] - [ 0.0010123900000000, 0.0004103700000000, -0.0003097900000000 ] - [ 0.0001149700000000, -0.0000000400000000, -0.0000855000000000 ] - [ -0.0009158600000000, 0.0000224800000000, -0.0019496700000000 ] - [ -0.0000225700000000, -0.0001378100000000, 0.0000489600000000 ] - [ 0.0004004200000000, -0.0000194500000000, 0.0000644300000000 ] - [ 0.0000511000000000, -0.0001069500000000, -0.0000712800000000 ] - [ -0.0040633200000000, 0.0027916300000000, 0.0003738100000000 ] - [ -0.0001468600000000, -0.0001227200000000, 0.0000977700000000 ] - [ -0.0022693500000000, 0.0023696000000000, -0.0003451400000000 ] - [ -0.0000773100000000, -0.0001376500000000, -0.0001201000000000 ] - [ 0.0000454800000000, -0.0001180900000000, 0.0001600200000000 ] - [ 0.0000795400000000, -0.0000368200000000, 0.0001699800000000 ] - [ -0.0001663100000000, 0.0001190800000000, -0.0002884700000000 ] - [ 0.0001073200000000, -0.0002842900000000, -0.0004319800000000 ] - [ 0.0008333700000000, 0.0002422100000000, -0.0001462300000000 ] - [ 0.0000877300000000, -0.0000478300000000, 0.0001128800000000 ] - [ -0.0000257800000000, 0.0000472900000000, -0.0000499300000000 ] - [ 0.0000101600000000, 0.0000115300000000, -0.0000292600000000 ] - [ -0.0282680600000000, 0.0110478500000000, 0.0079097700000000 ] - [ -0.0000344700000000, -0.0000090800000000, 0.0001267700000000 ] - [ 0.0000109800000000, -0.0001205800000000, -0.0001135200000000 ] - [ -0.0000116700000000, -0.0000515900000000, 0.0000502900000000 ] - [ 0.0004137800000000, 0.0005477000000000, 0.0004867700000000 ] - [ 0.0000140600000000, -0.0000767100000000, 0.0000247100000000 ] - [ -0.0002956500000000, -0.0015738000000000, -0.0020318300000000 ] - [ -0.0000232900000000, 0.0001518900000000, -0.0000467000000000 ] - [ 0.0009817900000000, 0.0012515700000000, -0.0010521300000000 ] - [ 0.0000382700000000, -0.0001457500000000, -0.0001109600000000 ] - [ 0.0061003100000000, -0.0016833300000000, 0.0007013400000000 ] - [ -0.0000041600000000, -0.0000955900000000, 0.0000137900000000 ] - [ -0.0000625500000000, -0.0000390800000000, 0.0001857200000000 ] - [ -0.0000076000000000, -0.0001278100000000, 0.0000886700000000 ] - [ -0.0001380900000000, 0.0000416200000000, -0.0001810100000000 ] - [ -0.0000043600000000, -0.0000013300000000, -0.0000121300000000 ] - [ 0.0002223300000000, 0.0001772800000000, 0.0002951500000000 ] - [ 0.0000238500000000, 0.0001606300000000, 0.0000796300000000 ] - [ -0.0000035700000000, 0.0000198300000000, -0.0001746400000000 ] - [ 0.0000040200000000, 0.0000608500000000, -0.0000134700000000 ] - [ -0.0003975300000000, -0.0003516900000000, -0.0009921400000000 ] - [ -0.0000179100000000, -0.0001998600000000, -0.0001046000000000 ] - [ 0.0006939600000000, 0.0003443000000000, -0.0000932900000000 ] - [ 0.0000338200000000, 0.0000194800000000, -0.0000972300000000 ] - [ 0.0000210700000000, -0.0000429500000000, -0.0001006800000000 ] - [ 0.0000609700000000, 0.0001237400000000, 0.0000193900000000 ] - [ -0.0000112200000000, 0.0000760800000000, 0.0000451900000000 ] - [ 0.0001657500000000, -0.0001897700000000, -0.0000559700000000 ] - [ 0.0004305100000000, -0.0000516100000000, -0.0001612900000000 ] - [ 0.0000220600000000, 0.0000882900000000, 0.0000792900000000 ] - [ 0.0000848000000000, -0.0001644700000000, 0.0001860200000000 ] - [ 0.0000173000000000, -0.0001868800000000, 0.0000859400000000 ] - [ 0.0000694400000000, 0.0001597900000000, 0.0009366400000000 ] - [ -0.0000198700000000, 0.0000614400000000, -0.0000852900000000 ] - [ 0.0000803200000000, -0.0000510200000000, -0.0000731800000000 ] - [ 0.0000312500000000, -0.0000529300000000, -0.0000821500000000 ] - [ 0.0001454200000000, -0.0001566300000000, 0.0004670900000000 ] - [ -0.0000203300000000, 0.0000037400000000, -0.0000054000000000 ] - [ -0.0000107900000000, -0.0000327300000000, -0.0000707700000000 ] - [ -0.0000044500000000, -0.0000120600000000, -0.0000142400000000 ] - [ 0.0000802800000000, -0.0000413600000000, 0.0001142800000000 ] - [ 0.0000802000000000, -0.0000353200000000, 0.0000930600000000 ] - [ 0.0000097700000000, 0.0000272100000000, 0.0001174600000000 ] - [ -0.0000211500000000, -0.0000462000000000, 0.0000798500000000 ] - [ 0.0003758400000000, 0.0005719700000000, 0.0001321700000000 ] - [ 0.0000127300000000, -0.0000870500000000, 0.0000207600000000 ] - [ 0.0001110600000000, 0.0000776300000000, 0.0000854200000000 ] - [ 0.0000007900000000, 0.0001616300000000, -0.0000591900000000 ] - [ -0.0000000400000000, -0.0000079000000000, -0.0000343000000000 ] - [ 0.0000044800000000, -0.0001443100000000, -0.0000580400000000 ] - [ 0.0002293100000000, -0.0002996200000000, -0.0000752000000000 ] - [ 0.0000029700000000, 0.0000429900000000, 0.0000643900000000 ] - [ 0.0004181800000000, 0.0003776800000000, -0.0002734900000000 ] - [ 0.0000032000000000, -0.0001380400000000, 0.0000548200000000 ] - [ -0.0000244800000000, 0.0000074400000000, -0.0000214200000000 ] - [ -0.0000333400000000, -0.0000046900000000, -0.0000630800000000 ] - [ -0.0001518500000000, -0.0021535300000000, -0.0012054300000000 ] - [ -0.0000160400000000, 0.0001800500000000, 0.0001140300000000 ] - [ 0.0000144700000000, 0.0001259500000000, -0.0000861300000000 ] - [ -0.0000068800000000, 0.0000642500000000, -0.0000158800000000 ] - [ 0.0000133000000000, -0.0001843100000000, -0.0000556400000000 ] - [ 0.0000084300000000, -0.0001654900000000, -0.0000368200000000 ] - [ -0.0002445900000000, -0.0003146900000000, -0.0002194300000000 ] - [ -0.0002445400000000, -0.0002074800000000, -0.0001223000000000 ] - [ 0.0003421300000000, -0.0000678000000000, 0.0008396300000000 ] - [ -0.0000352500000000, -0.0000365200000000, -0.0000080900000000 ] - [ 0.0057082700000000, -0.0019770500000000, -0.0005751000000000 ] - [ -0.0000064800000000, -0.0000177700000000, 0.0000108100000000 ] - [ -0.0000326400000000, -0.0002637000000000, 0.0005914600000000 ] - [ -0.0000634900000000, 0.0000795700000000, 0.0000810700000000 ] - [ -0.0000022100000000, -0.0002931000000000, -0.0000823500000000 ] - [ -0.0000083500000000, -0.0000611600000000, -0.0000863800000000 ] - [ 0.0000813800000000, 0.0000310900000000, -0.0001454900000000 ] - [ 0.0000765000000000, 0.0001605200000000, -0.0000864800000000 ] - [ 0.0000752900000000, 0.0000655700000000, -0.0002500100000000 ] - [ 0.0000306400000000, -0.0000126400000000, -0.0001321400000000 ] - [ 0.0002398400000000, -0.0001641900000000, -0.0001773600000000 ] - [ 0.0000146200000000, -0.0000108200000000, -0.0000015800000000 ]- atom: 67 displacement: [ -0.0099999986220908, 0.0000000000000000, 0.0000052495887392 ] forces: - [ -0.0009274000000000, 0.0002395600000000, -0.0005525700000000 ] - [ -0.0000909900000000, 0.0001166400000000, 0.0001323700000000 ] - [ 0.0004669100000000, -0.0000280700000000, -0.0006851900000000 ] - [ 0.0000018600000000, -0.0000759500000000, 0.0000004400000000 ] - [ -0.0004207800000000, 0.0003960000000000, 0.0000099900000000 ] - [ -0.0001690800000000, -0.0007136400000000, -0.0001075100000000 ] - [ 0.0014329600000000, -0.0002962600000000, -0.0006993400000000 ] - [ 0.0000954400000000, 0.0000322100000000, -0.0000392300000000 ] - [ 0.0003738200000000, 0.0001596500000000, -0.0002398700000000 ] - [ 0.0002478000000000, 0.0001668700000000, -0.0000041100000000 ] - [ 0.0003727600000000, -0.0000736100000000, 0.0003152100000000 ] - [ 0.0003525400000000, -0.0003734600000000, 0.0001581800000000 ] - [ -0.0008971100000000, 0.0005280400000000, -0.0002269400000000 ] - [ -0.0002239300000000, 0.0000695100000000, -0.0000619000000000 ] - [ -0.0047449900000000, 0.0034868700000000, 0.0011628100000000 ] - [ -0.0001472200000000, -0.0000553900000000, 0.0001084600000000 ] - [ 0.0010149200000000, 0.0006445700000000, 0.0007597000000000 ] - [ 0.0000833200000000, -0.0002083300000000, -0.0001159200000000 ] - [ -0.0087613500000000, -0.0006695100000000, 0.0042981300000000 ] - [ -0.0000568700000000, -0.0002451900000000, 0.0001533100000000 ] - [ 0.0005802200000000, 0.0000974700000000, -0.0002539400000000 ] - [ 0.0001045500000000, 0.0001066800000000, -0.0001544600000000 ] - [ 0.0001842300000000, 0.0001660600000000, 0.0001947600000000 ] - [ 0.0000039900000000, -0.0000873400000000, -0.0000515700000000 ] - [ 0.0001989300000000, 0.0002831800000000, 0.0002088400000000 ] - [ -0.0000152000000000, 0.0000921600000000, 0.0000985100000000 ] - [ 0.0000227200000000, -0.0000326900000000, 0.0000563300000000 ] - [ 0.0000400700000000, -0.0000901500000000, 0.0001521000000000 ] - [ 0.0007563100000000, 0.0005199400000000, 0.0008373000000000 ] - [ -0.0001820900000000, -0.0002415700000000, 0.0000425900000000 ] - [ -0.0054167800000000, 0.0047975700000000, -0.0007919900000000 ] - [ -0.0001410200000000, -0.0001061300000000, -0.0000021100000000 ] - [ -0.0002890500000000, 0.0002163300000000, -0.0003288700000000 ] - [ 0.0001208400000000, 0.0000602300000000, -0.0000444000000000 ] - [ -0.0027973000000000, 0.0008902300000000, -0.0008061200000000 ] - [ 0.0001980000000000, -0.0002677200000000, -0.0000120100000000 ] - [ -0.0000148300000000, 0.0000412900000000, -0.0000404200000000 ] - [ -0.0001606500000000, 0.0001686200000000, -0.0000326300000000 ] - [ 0.0013301800000000, -0.0003767800000000, -0.0005531100000000 ] - [ 0.0000975900000000, 0.0000254100000000, 0.0000896000000000 ] - [ 0.0000333400000000, -0.0005751700000000, -0.0002386600000000 ] - [ 0.0000279900000000, 0.0004051900000000, -0.0001462400000000 ] - [ 0.0001416900000000, -0.0003744800000000, 0.0002670600000000 ] - [ 0.0002052500000000, -0.0000042300000000, 0.0004699900000000 ] - [ -0.0002570700000000, 0.0000893400000000, -0.0007111500000000 ] - [ -0.0001319300000000, 0.0001574700000000, -0.0000995000000000 ] - [ -0.0001117800000000, 0.0001965200000000, -0.0005034300000000 ] - [ 0.0001052800000000, -0.0000148200000000, -0.0003004200000000 ] - [ -0.0009526500000000, -0.0002797100000000, 0.0001334000000000 ] - [ -0.0000501800000000, 0.0001303000000000, -0.0000962600000000 ] - [ 0.0008637500000000, -0.0001526600000000, 0.0021419900000000 ] - [ -0.0000412000000000, 0.0000080000000000, 0.0001325900000000 ] - [ -0.0003349300000000, -0.0001121400000000, -0.0002473400000000 ] - [ 0.0000129900000000, -0.0000227400000000, -0.0001106200000000 ] - [ 0.0039727200000000, -0.0026738900000000, -0.0001717900000000 ] - [ 0.0000829400000000, 0.0002556700000000, 0.0000836300000000 ] - [ 0.0023477700000000, -0.0022268000000000, 0.0001419700000000 ] - [ 0.0001405800000000, 0.0002676200000000, -0.0000612300000000 ] - [ -0.0001099700000000, -0.0000110800000000, 0.0000230100000000 ] - [ -0.0001440700000000, -0.0000934700000000, 0.0000120400000000 ] - [ 0.0002294800000000, -0.0002500300000000, 0.0001089000000000 ] - [ -0.0000432700000000, 0.0001557900000000, 0.0002525600000000 ] - [ -0.0008934300000000, -0.0001133200000000, 0.0003244600000000 ] - [ -0.0001509600000000, 0.0001781500000000, 0.0000685900000000 ] - [ 0.0000249800000000, -0.0000353400000000, 0.0000489500000000 ] - [ -0.0000103800000000, 0.0000015300000000, 0.0000295700000000 ] - [ 0.0280100900000000, -0.0110871900000000, -0.0076252100000000 ] - [ -0.0000174700000000, 0.0000717800000000, 0.0000541700000000 ] - [ -0.0000624000000000, 0.0000578500000000, 0.0002937300000000 ] - [ -0.0000402700000000, -0.0000101700000000, 0.0001309400000000 ] - [ -0.0004120400000000, -0.0005663000000000, -0.0004832900000000 ] - [ -0.0000145100000000, 0.0000548300000000, -0.0000241800000000 ] - [ 0.0002773000000000, 0.0019122400000000, 0.0018656900000000 ] - [ -0.0000092400000000, 0.0001943900000000, -0.0001082600000000 ] - [ -0.0009702600000000, -0.0014301400000000, 0.0008879200000000 ] - [ -0.0000334100000000, -0.0000450900000000, -0.0000465900000000 ] - [ -0.0059702400000000, 0.0014960000000000, -0.0006917900000000 ] - [ 0.0000040100000000, -0.0000513900000000, -0.0000148900000000 ] - [ 0.0000552100000000, -0.0001523500000000, -0.0000278300000000 ] - [ 0.0000015100000000, -0.0000625500000000, 0.0000689600000000 ] - [ 0.0001377700000000, -0.0000204600000000, 0.0001777000000000 ] - [ 0.0000044100000000, 0.0000231500000000, 0.0000110000000000 ] - [ -0.0001908700000000, 0.0001695600000000, -0.0001425400000000 ] - [ 0.0000084600000000, 0.0001851300000000, 0.0000750500000000 ] - [ 0.0000027400000000, 0.0001275400000000, 0.0001747000000000 ] - [ -0.0000046500000000, 0.0000861200000000, 0.0000144100000000 ] - [ 0.0003607700000000, 0.0000022200000000, 0.0008338200000000 ] - [ -0.0000141900000000, -0.0001457400000000, -0.0000498300000000 ] - [ -0.0006416900000000, -0.0002821800000000, -0.0000877400000000 ] - [ 0.0000183100000000, 0.0000432600000000, -0.0000834300000000 ] - [ -0.0000225300000000, 0.0000415100000000, 0.0000995900000000 ] - [ -0.0000610400000000, -0.0001230500000000, -0.0000191700000000 ] - [ 0.0000105900000000, -0.0000879200000000, -0.0000459200000000 ] - [ -0.0001688500000000, 0.0001786500000000, 0.0000578100000000 ] - [ -0.0004343700000000, 0.0002407400000000, 0.0003186300000000 ] - [ -0.0000276400000000, 0.0001026200000000, 0.0000782400000000 ] - [ -0.0000525400000000, -0.0001824100000000, -0.0000303900000000 ] - [ 0.0000150900000000, -0.0001589500000000, 0.0000686600000000 ] - [ -0.0000642100000000, 0.0000291100000000, -0.0010929100000000 ] - [ 0.0000249900000000, 0.0001294400000000, -0.0000725300000000 ] - [ -0.0000284500000000, -0.0000109700000000, -0.0001080300000000 ] - [ 0.0000208900000000, -0.0000093800000000, -0.0000990300000000 ] - [ -0.0001478200000000, 0.0001591900000000, -0.0004703900000000 ] - [ 0.0000198800000000, -0.0000031600000000, 0.0000048000000000 ] - [ 0.0000106900000000, 0.0000456500000000, 0.0000710600000000 ] - [ 0.0000044100000000, 0.0000242900000000, 0.0000140500000000 ] - [ -0.0001322900000000, 0.0001051800000000, 0.0000659000000000 ] - [ -0.0001322400000000, 0.0000965700000000, 0.0000883800000000 ] - [ -0.0000618400000000, -0.0000902000000000, 0.0000629300000000 ] - [ -0.0000306400000000, -0.0000157500000000, 0.0001012900000000 ] - [ -0.0003816700000000, -0.0006005900000000, -0.0001294800000000 ] - [ -0.0000132300000000, 0.0000653400000000, -0.0000196000000000 ] - [ -0.0001438700000000, 0.0002669700000000, -0.0002386200000000 ] - [ -0.0000334000000000, 0.0001846000000000, -0.0000954500000000 ] - [ 0.0000070400000000, -0.0001838700000000, -0.0001235300000000 ] - [ 0.0000013900000000, -0.0000466200000000, -0.0001000500000000 ] - [ -0.0002274200000000, 0.0001519300000000, 0.0000739100000000 ] - [ -0.0000018200000000, -0.0001898800000000, -0.0000645200000000 ] - [ -0.0004253800000000, -0.0005719900000000, 0.0004325100000000 ] - [ -0.0000087300000000, -0.0000526400000000, 0.0001034300000000 ] - [ 0.0000249400000000, 0.0000148800000000, 0.0000208500000000 ] - [ 0.0000339800000000, 0.0000261600000000, 0.0000626400000000 ] - [ 0.0001731600000000, 0.0025054600000000, 0.0013666800000000 ] - [ 0.0000493600000000, 0.0001654600000000, 0.0000407500000000 ] - [ -0.0000144600000000, 0.0000201600000000, 0.0000871200000000 ] - [ 0.0000066900000000, 0.0000829700000000, 0.0000165100000000 ] - [ -0.0000464200000000, -0.0001608600000000, -0.0000988900000000 ] - [ -0.0000412800000000, -0.0001810400000000, -0.0001181300000000 ] - [ 0.0002970000000000, 0.0003769300000000, 0.0000388100000000 ] - [ 0.0002966300000000, 0.0002714600000000, -0.0000583300000000 ] - [ -0.0003443900000000, 0.0000708300000000, -0.0008450100000000 ] - [ 0.0000354800000000, 0.0000367700000000, 0.0000082500000000 ] - [ -0.0058331600000000, 0.0020166700000000, 0.0005930900000000 ] - [ 0.0000064300000000, 0.0000053300000000, -0.0000107500000000 ] - [ 0.0000281100000000, 0.0004527300000000, -0.0004325100000000 ] - [ 0.0000584800000000, 0.0001112000000000, 0.0000767900000000 ] - [ 0.0000346700000000, -0.0000532200000000, 0.0002360000000000 ] - [ 0.0000407200000000, -0.0002842700000000, 0.0002392500000000 ] - [ -0.0000749500000000, 0.0001614100000000, -0.0000115200000000 ] - [ -0.0000703200000000, 0.0000301400000000, -0.0000716400000000 ] - [ -0.0000227300000000, -0.0001283800000000, 0.0000690100000000 ] - [ 0.0000214000000000, -0.0000497700000000, -0.0000493000000000 ] - [ -0.0002394000000000, 0.0001645100000000, 0.0001781600000000 ] - [ -0.0000146100000000, 0.0000105900000000, 0.0000015300000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004257500000000, 0.0017729000000000, -0.0004090200000000 ] - [ -0.0001279600000000, -0.0004054500000000, 0.0001691200000000 ] - [ -0.0004961800000000, 0.0006874200000000, 0.0006542300000000 ] - [ 0.0000192300000000, -0.0005314900000000, 0.0000445800000000 ] - [ -0.0011085100000000, -0.0017852600000000, 0.0000058100000000 ] - [ -0.0000057100000000, -0.0014173800000000, -0.0002739600000000 ] - [ 0.0005726300000000, 0.0002548000000000, -0.0004100800000000 ] - [ -0.0000351700000000, -0.0003394900000000, -0.0001109700000000 ] - [ 0.0003515900000000, 0.0007212500000000, 0.0001230000000000 ] - [ 0.0001143700000000, -0.0002406100000000, 0.0000761000000000 ] - [ 0.0000223300000000, -0.0001750900000000, -0.0003465300000000 ] - [ 0.0006458600000000, -0.0007074200000000, 0.0000938600000000 ] - [ -0.0000636600000000, 0.0008212100000000, 0.0015749600000000 ] - [ -0.0002285300000000, -0.0002773300000000, -0.0000317900000000 ] - [ -0.0021061200000000, 0.0096494000000000, -0.0019648900000000 ] - [ -0.0002115100000000, -0.0006984800000000, -0.0000770300000000 ] - [ 0.0004697100000000, 0.0010061200000000, -0.0002778500000000 ] - [ 0.0000236000000000, -0.0006258200000000, -0.0001669300000000 ] - [ -0.0012865100000000, 0.0040923200000000, -0.0013271600000000 ] - [ 0.0000886500000000, -0.0007858900000000, 0.0001724800000000 ] - [ -0.0001103800000000, 0.0007522100000000, 0.0000778600000000 ] - [ 0.0001979800000000, -0.0002812300000000, -0.0000956300000000 ] - [ 0.0002918100000000, 0.0007268000000000, 0.0003114200000000 ] - [ -0.0000019900000000, -0.0004810300000000, 0.0000433000000000 ] - [ -0.0001487600000000, 0.0002917200000000, 0.0002674100000000 ] - [ 0.0000462200000000, -0.0000843000000000, 0.0002553300000000 ] - [ -0.0000402200000000, -0.0000170400000000, 0.0001012800000000 ] - [ 0.0002929300000000, -0.0004200800000000, 0.0005262000000000 ] - [ 0.0001159600000000, 0.0009390200000000, -0.0000712200000000 ] - [ -0.0002197500000000, -0.0006960900000000, -0.0000353200000000 ] - [ -0.0024726600000000, 0.0064433800000000, -0.0019395200000000 ] - [ -0.0001369900000000, -0.0007329500000000, -0.0002664100000000 ] - [ 0.0004309200000000, 0.0003617800000000, 0.0017708500000000 ] - [ 0.0000149700000000, -0.0003602500000000, -0.0000986100000000 ] - [ -0.0015687100000000, 0.0032067800000000, 0.0015681200000000 ] - [ 0.0002677500000000, -0.0007655900000000, -0.0000110600000000 ] - [ -0.0001020500000000, 0.0004354700000000, 0.0001521700000000 ] - [ -0.0001844200000000, -0.0002106600000000, 0.0000462900000000 ] - [ 0.0006036200000000, 0.0003699800000000, -0.0003047500000000 ] - [ -0.0000990300000000, -0.0003622100000000, -0.0000305800000000 ] - [ 0.0002536100000000, -0.0008713000000000, -0.0004761500000000 ] - [ -0.0010815900000000, -0.0013271300000000, -0.0002551800000000 ] - [ 0.0005361300000000, -0.0007361400000000, 0.0002084300000000 ] - [ -0.0003690300000000, -0.0000966600000000, -0.0002179800000000 ] - [ -0.0006394800000000, 0.0001783300000000, -0.0012951400000000 ] - [ 0.0000342900000000, -0.0006910100000000, 0.0002455400000000 ] - [ -0.0003719300000000, -0.0001835100000000, 0.0004904700000000 ] - [ 0.0002069100000000, -0.0001739800000000, -0.0000779700000000 ] - [ -0.0002060500000000, -0.0004014000000000, 0.0000773500000000 ] - [ 0.0000124700000000, 0.0005084900000000, -0.0000496200000000 ] - [ -0.0001153000000000, -0.0016266800000000, -0.0010122300000000 ] - [ 0.0000131200000000, 0.0004828300000000, 0.0001446600000000 ] - [ -0.0001195300000000, -0.0006900200000000, -0.0001162300000000 ] - [ -0.0000169700000000, 0.0003964600000000, -0.0001814300000000 ] - [ 0.0031229400000000, 0.0033430700000000, -0.0044896000000000 ] - [ 0.0000159200000000, 0.0008212800000000, 0.0001728200000000 ] - [ 0.0029971700000000, 0.0014701700000000, -0.0041263400000000 ] - [ 0.0000387100000000, 0.0007454100000000, 0.0001331700000000 ] - [ -0.0000720200000000, -0.0001009800000000, 0.0001103200000000 ] - [ -0.0002526100000000, 0.0001008500000000, -0.0000100000000000 ] - [ 0.0002916900000000, 0.0006303900000000, -0.0008901600000000 ] - [ -0.0000211400000000, 0.0006119900000000, 0.0005367700000000 ] - [ -0.0001298300000000, -0.0004875400000000, 0.0003631300000000 ] - [ -0.0001672900000000, 0.0005737400000000, 0.0000267600000000 ] - [ -0.0001012400000000, 0.0000045900000000, -0.0001878100000000 ] - [ 0.0000893800000000, 0.0000924100000000, -0.0000322900000000 ] - [ 0.0110439900000000, -0.0356420600000000, 0.0065375700000000 ] - [ -0.0000672500000000, 0.0003187000000000, -0.0000167800000000 ] - [ 0.0000624900000000, -0.0003197600000000, -0.0001872100000000 ] - [ -0.0000059500000000, 0.0002184100000000, 0.0001785700000000 ] - [ 0.0005448800000000, 0.0000214500000000, 0.0005153300000000 ] - [ -0.0000333400000000, 0.0001999300000000, -0.0000303700000000 ] - [ -0.0012733100000000, 0.0024170100000000, 0.0048231600000000 ] - [ -0.0000140100000000, 0.0004475000000000, -0.0001988400000000 ] - [ 0.0008786600000000, 0.0004027400000000, -0.0006520400000000 ] - [ -0.0001305500000000, 0.0000987300000000, -0.0000369700000000 ] - [ -0.0020541300000000, -0.0009155200000000, 0.0002642900000000 ] - [ 0.0000137300000000, 0.0001556700000000, -0.0000056900000000 ] - [ -0.0000761300000000, -0.0003014800000000, 0.0001307200000000 ] - [ 0.0000150800000000, 0.0001159100000000, 0.0000803800000000 ] - [ -0.0000955600000000, -0.0003224000000000, -0.0002475100000000 ] - [ -0.0000045300000000, 0.0001614700000000, -0.0000103200000000 ] - [ -0.0000322400000000, 0.0000169900000000, -0.0000160900000000 ] - [ 0.0000222600000000, 0.0003181400000000, 0.0001539400000000 ] - [ 0.0000798800000000, -0.0000921300000000, -0.0001359200000000 ] - [ -0.0000356500000000, 0.0002424100000000, -0.0000173600000000 ] - [ -0.0002020300000000, -0.0007267500000000, -0.0007930800000000 ] - [ -0.0000091000000000, 0.0000504700000000, 0.0000047800000000 ] - [ -0.0002868600000000, -0.0003147500000000, -0.0001579300000000 ] - [ 0.0000387600000000, 0.0002303300000000, 0.0000125600000000 ] - [ -0.0001713800000000, -0.0001061000000000, 0.0000545600000000 ] - [ 0.0002380200000000, 0.0002630900000000, 0.0000099500000000 ] - [ 0.0001593000000000, 0.0001775700000000, 0.0001704600000000 ] - [ -0.0007004300000000, 0.0002825400000000, 0.0002849000000000 ] - [ 0.0001966200000000, -0.0002620800000000, 0.0001145200000000 ] - [ -0.0000730300000000, 0.0002948400000000, 0.0000619600000000 ] - [ -0.0000377700000000, -0.0003517700000000, 0.0000694800000000 ] - [ 0.0000077600000000, -0.0000185800000000, -0.0000034300000000 ] - [ -0.0003110000000000, -0.0006890200000000, -0.0008551700000000 ] - [ 0.0000835200000000, 0.0003092800000000, -0.0000317100000000 ] - [ 0.0000066700000000, -0.0001230600000000, -0.0000822700000000 ] - [ 0.0000050100000000, 0.0001741500000000, -0.0001986500000000 ] - [ -0.0010323100000000, 0.0008814800000000, -0.0015721800000000 ] - [ 0.0000097800000000, 0.0000329300000000, 0.0000604400000000 ] - [ -0.0000551800000000, -0.0002562900000000, -0.0002626600000000 ] - [ 0.0000178100000000, 0.0001596000000000, 0.0000154200000000 ] - [ -0.0000929300000000, 0.0000709600000000, 0.0000913800000000 ] - [ -0.0001000900000000, 0.0000722000000000, 0.0001180900000000 ] - [ -0.0000853100000000, -0.0002366800000000, -0.0000309200000000 ] - [ -0.0000117100000000, 0.0000794100000000, 0.0001153800000000 ] - [ 0.0004994300000000, 0.0000995600000000, 0.0002294300000000 ] - [ -0.0000234800000000, 0.0001948800000000, 0.0000042900000000 ] - [ -0.0000604500000000, 0.0001122000000000, -0.0000809800000000 ] - [ -0.0000149800000000, 0.0002644800000000, -0.0000813200000000 ] - [ 0.0000955100000000, -0.0003892200000000, 0.0000080100000000 ] - [ -0.0001539600000000, 0.0002355100000000, -0.0001064700000000 ] - [ -0.0006650400000000, 0.0002997500000000, 0.0003070000000000 ] - [ 0.0001809000000000, 0.0001356100000000, 0.0001777400000000 ] - [ 0.0003184200000000, -0.0001801900000000, -0.0001930900000000 ] - [ -0.0000073000000000, 0.0000740700000000, 0.0001287000000000 ] - [ -0.0001309600000000, 0.0000974700000000, -0.0003072300000000 ] - [ 0.0000827900000000, 0.0000875300000000, 0.0001051600000000 ] - [ -0.0014904200000000, 0.0052962500000000, 0.0040840800000000 ] - [ 0.0000368300000000, 0.0004916300000000, 0.0001562300000000 ] - [ 0.0000759000000000, -0.0001477900000000, -0.0000354400000000 ] - [ -0.0000500100000000, 0.0002594600000000, -0.0000796900000000 ] - [ -0.0000772600000000, -0.0001352900000000, -0.0001420300000000 ] - [ -0.0000111700000000, -0.0001919000000000, -0.0000913800000000 ] - [ 0.0002680900000000, 0.0009618700000000, 0.0005484100000000 ] - [ 0.0003717300000000, 0.0009561800000000, 0.0003678700000000 ] - [ -0.0008145400000000, -0.0006494200000000, -0.0009909900000000 ] - [ 0.0001858100000000, 0.0002346600000000, 0.0000805800000000 ] - [ -0.0022677600000000, -0.0004360000000000, 0.0005503200000000 ] - [ 0.0000274600000000, 0.0001762000000000, -0.0000082600000000 ] - [ -0.0005859900000000, 0.0014731500000000, -0.0013407800000000 ] - [ 0.0000782800000000, 0.0002022000000000, 0.0001117600000000 ] - [ 0.0000459300000000, 0.0000148100000000, 0.0001389700000000 ] - [ -0.0000071800000000, 0.0000158700000000, -0.0002840700000000 ] - [ -0.0000880000000000, 0.0000724300000000, -0.0000210600000000 ] - [ 0.0001671300000000, 0.0002444100000000, -0.0001169400000000 ] - [ 0.0001235200000000, -0.0002231400000000, -0.0001142400000000 ] - [ 0.0000456800000000, 0.0002365000000000, -0.0002441700000000 ] - [ 0.0001950600000000, -0.0002932900000000, 0.0000819600000000 ] - [ -0.0001202500000000, 0.0001690700000000, -0.0000434700000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002919700000000, -0.0014717200000000, 0.0007024900000000 ] - [ -0.0000085900000000, 0.0007084500000000, 0.0001177000000000 ] - [ 0.0004760900000000, -0.0007626200000000, -0.0005452500000000 ] - [ -0.0000323200000000, 0.0004624800000000, 0.0000641400000000 ] - [ 0.0007275400000000, 0.0014401700000000, 0.0000050200000000 ] - [ -0.0003762400000000, 0.0010731000000000, 0.0002825000000000 ] - [ -0.0005601200000000, -0.0001796100000000, 0.0003032900000000 ] - [ 0.0000505800000000, 0.0004125600000000, 0.0000036500000000 ] - [ 0.0000332000000000, -0.0003800200000000, -0.0001313900000000 ] - [ 0.0002678700000000, 0.0005881400000000, -0.0000815000000000 ] - [ 0.0003584100000000, -0.0001637300000000, 0.0003332600000000 ] - [ -0.0002701800000000, 0.0003645700000000, -0.0001036500000000 ] - [ -0.0003175700000000, -0.0004860800000000, -0.0015724500000000 ] - [ -0.0001530100000000, 0.0006246500000000, 0.0000397100000000 ] - [ 0.0018423200000000, -0.0089835700000000, 0.0019078500000000 ] - [ 0.0002001700000000, 0.0007726400000000, 0.0001877200000000 ] - [ -0.0003278000000000, -0.0013037100000000, -0.0000093500000000 ] - [ 0.0001102200000000, 0.0003293100000000, -0.0001204600000000 ] - [ 0.0011766200000000, -0.0043531800000000, 0.0015636100000000 ] - [ -0.0002264500000000, 0.0004896200000000, 0.0001152800000000 ] - [ 0.0002494300000000, -0.0004557100000000, -0.0003647500000000 ] - [ -0.0000605800000000, 0.0005811900000000, -0.0001921000000000 ] - [ -0.0002790400000000, -0.0008028400000000, -0.0004195500000000 ] - [ 0.0000176500000000, 0.0004132400000000, -0.0001499000000000 ] - [ 0.0000096900000000, 0.0000043200000000, 0.0000185300000000 ] - [ -0.0001824400000000, 0.0003876700000000, 0.0000316800000000 ] - [ 0.0000183200000000, -0.0000493700000000, 0.0000082100000000 ] - [ -0.0003146000000000, 0.0003508500000000, -0.0004239500000000 ] - [ -0.0005057700000000, -0.0012868600000000, 0.0000734500000000 ] - [ -0.0001655500000000, 0.0003502500000000, 0.0000457600000000 ] - [ 0.0026958800000000, -0.0067707700000000, 0.0020493900000000 ] - [ 0.0001570500000000, 0.0008007400000000, 0.0001574700000000 ] - [ -0.0000484700000000, -0.0000113700000000, -0.0017802600000000 ] - [ 0.0003718700000000, 0.0007063500000000, 0.0000907900000000 ] - [ 0.0019590900000000, -0.0035845500000000, -0.0015618700000000 ] - [ 0.0001157600000000, 0.0004196100000000, 0.0000033200000000 ] - [ -0.0002798200000000, -0.0000903500000000, -0.0001417900000000 ] - [ -0.0002012000000000, 0.0005581000000000, -0.0000386500000000 ] - [ -0.0006179800000000, -0.0003057200000000, 0.0004107000000000 ] - [ 0.0000806400000000, 0.0004360800000000, 0.0001362100000000 ] - [ -0.0001150000000000, 0.0005704000000000, 0.0001838500000000 ] - [ 0.0012274200000000, 0.0010314800000000, -0.0000296900000000 ] - [ -0.0006716300000000, 0.0004348500000000, 0.0000788500000000 ] - [ 0.0002277800000000, -0.0002055700000000, 0.0005035600000000 ] - [ 0.0007844000000000, 0.0001141500000000, 0.0010124000000000 ] - [ 0.0000974800000000, 0.0009921500000000, -0.0005312600000000 ] - [ 0.0003945800000000, 0.0001169700000000, -0.0005973100000000 ] - [ -0.0001908300000000, 0.0001004200000000, -0.0000285600000000 ] - [ 0.0002700000000000, 0.0005286200000000, -0.0002626900000000 ] - [ 0.0000529800000000, -0.0003781900000000, -0.0001328900000000 ] - [ 0.0000485300000000, 0.0015010000000000, 0.0011898600000000 ] - [ -0.0000765500000000, -0.0006146300000000, 0.0000370200000000 ] - [ 0.0001837100000000, 0.0005583600000000, -0.0000625900000000 ] - [ 0.0000792100000000, -0.0005279100000000, -0.0000000900000000 ] - [ -0.0031405500000000, -0.0032116500000000, 0.0046312900000000 ] - [ -0.0000799600000000, -0.0006914100000000, 0.0000078900000000 ] - [ -0.0029619100000000, -0.0013373000000000, 0.0039770000000000 ] - [ 0.0000259500000000, -0.0006137800000000, -0.0003139000000000 ] - [ 0.0000063500000000, -0.0000336200000000, 0.0000698200000000 ] - [ 0.0001909400000000, -0.0002308000000000, 0.0001922900000000 ] - [ -0.0002236800000000, -0.0007645800000000, 0.0007078300000000 ] - [ 0.0000855000000000, -0.0007446300000000, -0.0007215400000000 ] - [ 0.0000633700000000, 0.0006211200000000, -0.0001802800000000 ] - [ 0.0001005300000000, -0.0004436400000000, 0.0001553000000000 ] - [ 0.0001012900000000, 0.0000098900000000, 0.0001887000000000 ] - [ -0.0000895200000000, -0.0000787500000000, 0.0000327100000000 ] - [ -0.0111046800000000, 0.0355696300000000, -0.0063318800000000 ] - [ 0.0000130300000000, -0.0002579400000000, 0.0001980000000000 ] - [ -0.0001174300000000, 0.0002569600000000, 0.0003679500000000 ] - [ -0.0000480400000000, -0.0002794400000000, 0.0000025400000000 ] - [ -0.0005456600000000, -0.0000436300000000, -0.0005158200000000 ] - [ 0.0000329800000000, -0.0002193500000000, 0.0000314500000000 ] - [ 0.0012217100000000, -0.0020423600000000, -0.0049254300000000 ] - [ -0.0000184700000000, -0.0001004900000000, 0.0000431500000000 ] - [ -0.0008684400000000, -0.0005994800000000, 0.0004974000000000 ] - [ 0.0001403400000000, -0.0002912500000000, -0.0001201700000000 ] - [ 0.0020333400000000, 0.0007847100000000, -0.0002654100000000 ] - [ -0.0000134200000000, -0.0003025200000000, 0.0000049200000000 ] - [ 0.0000658600000000, 0.0001080700000000, 0.0000258500000000 ] - [ -0.0000250600000000, -0.0003090200000000, 0.0000766900000000 ] - [ 0.0000957400000000, 0.0003405700000000, 0.0002463600000000 ] - [ 0.0000047100000000, -0.0001434000000000, 0.0000094300000000 ] - [ 0.0000648700000000, 0.0003300400000000, 0.0001732900000000 ] - [ 0.0000097500000000, 0.0000300500000000, 0.0000022000000000 ] - [ -0.0000805400000000, 0.0002379300000000, 0.0001369200000000 ] - [ 0.0000352700000000, -0.0000961800000000, 0.0000182300000000 ] - [ 0.0001695700000000, 0.0003763500000000, 0.0006426600000000 ] - [ -0.0000235400000000, -0.0003988900000000, -0.0001611800000000 ] - [ 0.0003395000000000, 0.0003758000000000, -0.0000236100000000 ] - [ 0.0000153000000000, -0.0001701100000000, -0.0001937300000000 ] - [ 0.0001724900000000, 0.0001074500000000, -0.0000536700000000 ] - [ -0.0002384000000000, -0.0002643300000000, -0.0000102200000000 ] - [ -0.0001588400000000, -0.0001928300000000, -0.0001704000000000 ] - [ 0.0007051300000000, -0.0002971800000000, -0.0002885800000000 ] - [ -0.0002097500000000, 0.0004554100000000, 0.0000446400000000 ] - [ 0.0000632000000000, -0.0001036100000000, 0.0000955300000000 ] - [ 0.0000695400000000, 0.0000032500000000, 0.0000852300000000 ] - [ 0.0000251700000000, -0.0003299100000000, 0.0001598800000000 ] - [ 0.0003175000000000, 0.0008887500000000, 0.0006894600000000 ] - [ -0.0000739800000000, -0.0001175300000000, -0.0001259700000000 ] - [ 0.0000468500000000, 0.0000619700000000, -0.0000985300000000 ] - [ 0.0000487600000000, -0.0002348500000000, 0.0000183700000000 ] - [ 0.0010435400000000, -0.0008918000000000, 0.0015911700000000 ] - [ -0.0000088500000000, -0.0000342200000000, -0.0000601000000000 ] - [ 0.0000556700000000, 0.0002690300000000, 0.0002620900000000 ] - [ -0.0000176400000000, -0.0001449300000000, -0.0000161900000000 ] - [ 0.0000387100000000, -0.0000118700000000, 0.0000895600000000 ] - [ 0.0000462500000000, -0.0000108600000000, 0.0000622400000000 ] - [ 0.0000310400000000, 0.0001771700000000, 0.0002132300000000 ] - [ -0.0000429700000000, -0.0001417000000000, 0.0000649400000000 ] - [ -0.0005027300000000, -0.0001194700000000, -0.0002285400000000 ] - [ 0.0000230300000000, -0.0002136300000000, -0.0000031200000000 ] - [ 0.0000273700000000, 0.0002367400000000, -0.0000762200000000 ] - [ -0.0000180800000000, 0.0000820800000000, -0.0000741700000000 ] - [ -0.0000856300000000, 0.0001975500000000, -0.0001648200000000 ] - [ 0.0001626300000000, -0.0004270700000000, -0.0000510100000000 ] - [ 0.0006587700000000, -0.0004455500000000, -0.0003033800000000 ] - [ -0.0001817600000000, -0.0002824900000000, -0.0001796300000000 ] - [ -0.0003280100000000, -0.0000104000000000, 0.0003497200000000 ] - [ -0.0000030400000000, -0.0002669400000000, 0.0000288600000000 ] - [ 0.0001308300000000, -0.0000795000000000, 0.0003045100000000 ] - [ -0.0000831200000000, -0.0000689700000000, -0.0001066500000000 ] - [ 0.0015620500000000, -0.0050301900000000, -0.0040012000000000 ] - [ -0.0000028500000000, -0.0001446500000000, -0.0000005800000000 ] - [ -0.0000763200000000, 0.0002950700000000, 0.0000364900000000 ] - [ 0.0000497100000000, -0.0001138200000000, 0.0000801200000000 ] - [ 0.0000427300000000, -0.0002132900000000, -0.0000143000000000 ] - [ -0.0000215600000000, -0.0001554700000000, -0.0000629600000000 ] - [ -0.0002107200000000, -0.0008955200000000, -0.0007242600000000 ] - [ -0.0003201700000000, -0.0009010600000000, -0.0005520800000000 ] - [ 0.0008137200000000, 0.0006425400000000, 0.0009909400000000 ] - [ -0.0001860400000000, -0.0002346700000000, -0.0000804100000000 ] - [ 0.0022781000000000, 0.0004040500000000, -0.0005533000000000 ] - [ -0.0000277200000000, -0.0001904000000000, 0.0000089800000000 ] - [ 0.0005713100000000, -0.0012641600000000, 0.0014795100000000 ] - [ -0.0000887600000000, -0.0000093800000000, 0.0000458400000000 ] - [ -0.0000120900000000, -0.0003630600000000, 0.0000173700000000 ] - [ 0.0000402800000000, -0.0003635100000000, 0.0004403300000000 ] - [ 0.0000967400000000, 0.0001187300000000, -0.0001363300000000 ] - [ -0.0001576500000000, -0.0000521000000000, -0.0000408200000000 ] - [ -0.0000694500000000, 0.0001642300000000, -0.0000672500000000 ] - [ 0.0000096000000000, -0.0002977000000000, 0.0000631500000000 ] - [ -0.0001949100000000, 0.0002923200000000, -0.0000827900000000 ] - [ 0.0001206200000000, -0.0001690600000000, 0.0000431500000000 ]- atom: 67 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ -0.0005762700000000, -0.0005551500000000, -0.0012766900000000 ] - [ -0.0000390500000000, 0.0003953000000000, 0.0000891200000000 ] - [ 0.0008866200000000, -0.0004480300000000, -0.0013915500000000 ] - [ -0.0000000600000000, 0.0001473400000000, -0.0000403900000000 ] - [ 0.0002150000000000, 0.0012220100000000, 0.0001812900000000 ] - [ -0.0001697700000000, -0.0006108500000000, 0.0002489700000000 ] - [ 0.0005370400000000, -0.0003151900000000, -0.0000277600000000 ] - [ 0.0000842100000000, 0.0002412400000000, 0.0000288600000000 ] - [ 0.0001864800000000, -0.0001047300000000, -0.0003677700000000 ] - [ 0.0002893200000000, 0.0003809900000000, -0.0000709900000000 ] - [ 0.0003471500000000, -0.0002122800000000, 0.0004452300000000 ] - [ 0.0000479300000000, 0.0000344300000000, 0.0001227200000000 ] - [ -0.0005611500000000, 0.0005953000000000, -0.0014259900000000 ] - [ -0.0002067500000000, 0.0001920100000000, -0.0000622200000000 ] - [ -0.0031821700000000, 0.0004730800000000, 0.0031487300000000 ] - [ -0.0000564200000000, 0.0003386900000000, 0.0002969100000000 ] - [ -0.0000055400000000, -0.0004600300000000, 0.0005308900000000 ] - [ 0.0001075400000000, 0.0000489500000000, -0.0000779700000000 ] - [ -0.0050446000000000, -0.0019242900000000, 0.0048670500000000 ] - [ -0.0000942200000000, 0.0000314700000000, 0.0001765500000000 ] - [ 0.0004827000000000, -0.0002407000000000, -0.0005236300000000 ] - [ 0.0000634500000000, 0.0003092800000000, -0.0001916600000000 ] - [ -0.0002055800000000, -0.0004049200000000, -0.0004488400000000 ] - [ -0.0000075300000000, 0.0001325800000000, -0.0001344500000000 ] - [ 0.0002262400000000, 0.0002789900000000, 0.0000187000000000 ] - [ -0.0001030200000000, 0.0001762600000000, -0.0000082400000000 ] - [ -0.0000123200000000, -0.0001065600000000, -0.0000957000000000 ] - [ -0.0001609000000000, 0.0001697800000000, -0.0002146400000000 ] - [ -0.0000934400000000, -0.0003877400000000, 0.0006438200000000 ] - [ -0.0001901800000000, 0.0000170500000000, 0.0000712100000000 ] - [ -0.0017489200000000, -0.0007516300000000, 0.0027310700000000 ] - [ -0.0000639600000000, 0.0002856800000000, 0.0001754500000000 ] - [ -0.0001858000000000, 0.0004540400000000, -0.0016700100000000 ] - [ 0.0001476400000000, 0.0002001700000000, -0.0000317000000000 ] - [ -0.0018737200000000, -0.0005947600000000, 0.0006231300000000 ] - [ 0.0001725600000000, 0.0000065200000000, 0.0000233700000000 ] - [ -0.0001052600000000, -0.0000915800000000, -0.0002338100000000 ] - [ -0.0001973100000000, 0.0003955200000000, -0.0001104800000000 ] - [ 0.0003604000000000, -0.0002981800000000, 0.0001275300000000 ] - [ 0.0001288600000000, 0.0002206700000000, 0.0001754100000000 ] - [ -0.0000114400000000, -0.0004922000000000, 0.0001005900000000 ] - [ 0.0008281000000000, 0.0010512300000000, 0.0001414800000000 ] - [ -0.0002437500000000, -0.0000074500000000, 0.0002391000000000 ] - [ 0.0001257500000000, -0.0001330900000000, 0.0005702200000000 ] - [ -0.0001114500000000, -0.0001210100000000, -0.0007817800000000 ] - [ -0.0001144300000000, 0.0006532100000000, -0.0003590500000000 ] - [ 0.0001666800000000, 0.0002459300000000, -0.0009654400000000 ] - [ 0.0002032400000000, 0.0001062300000000, -0.0004743400000000 ] - [ -0.0002986600000000, 0.0002106100000000, -0.0001119300000000 ] - [ -0.0000169000000000, -0.0001446900000000, -0.0001266200000000 ] - [ 0.0004754700000000, 0.0003693000000000, 0.0029965700000000 ] - [ -0.0000910800000000, -0.0002341700000000, 0.0001255000000000 ] - [ 0.0000337500000000, 0.0002352400000000, -0.0000936400000000 ] - [ 0.0000380700000000, -0.0002563600000000, -0.0000543800000000 ] - [ 0.0010838800000000, -0.0051927300000000, 0.0018734900000000 ] - [ 0.0001704700000000, 0.0000286300000000, -0.0000286800000000 ] - [ -0.0000811900000000, -0.0032522700000000, 0.0021487100000000 ] - [ 0.0001913000000000, -0.0000120900000000, -0.0002179200000000 ] - [ -0.0000260700000000, 0.0000502400000000, 0.0000811300000000 ] - [ 0.0000073100000000, -0.0002356500000000, 0.0001072100000000 ] - [ -0.0000324200000000, -0.0007532900000000, 0.0006411600000000 ] - [ -0.0001586800000000, 0.0001512000000000, 0.0002699700000000 ] - [ -0.0003555500000000, 0.0002700400000000, 0.0000054600000000 ] - [ -0.0000572100000000, -0.0000941500000000, 0.0000903500000000 ] - [ 0.0000694500000000, -0.0000786500000000, 0.0002175600000000 ] - [ -0.0000572100000000, -0.0000303100000000, 0.0000699500000000 ] - [ 0.0154649800000000, 0.0029263100000000, -0.0217837100000000 ] - [ 0.0000105800000000, -0.0000602200000000, 0.0000875500000000 ] - [ -0.0002317000000000, 0.0002617300000000, 0.0005815400000000 ] - [ -0.0000696200000000, -0.0001092300000000, 0.0001206000000000 ] - [ -0.0004713000000000, -0.0003427900000000, -0.0008971000000000 ] - [ -0.0000190700000000, -0.0000590900000000, -0.0000535000000000 ] - [ -0.0011672900000000, 0.0045960100000000, 0.0032304300000000 ] - [ -0.0000081700000000, 0.0000535400000000, -0.0000591500000000 ] - [ -0.0014513400000000, -0.0016730400000000, 0.0013298400000000 ] - [ -0.0000103000000000, -0.0001066900000000, -0.0000411800000000 ] - [ -0.0013499200000000, 0.0007261400000000, -0.0011737700000000 ] - [ -0.0000080900000000, -0.0001609000000000, -0.0000294300000000 ] - [ 0.0001892900000000, 0.0000996000000000, 0.0000083100000000 ] - [ -0.0000093900000000, -0.0002029400000000, 0.0000693700000000 ] - [ 0.0002369200000000, 0.0001349000000000, 0.0005714800000000 ] - [ 0.0000105000000000, -0.0000492300000000, 0.0000280200000000 ] - [ -0.0000817500000000, 0.0002370200000000, -0.0000543700000000 ] - [ 0.0000020900000000, 0.0001089700000000, 0.0000233900000000 ] - [ -0.0000185300000000, 0.0002554800000000, 0.0003425100000000 ] - [ -0.0000091500000000, 0.0000010200000000, 0.0000455900000000 ] - [ 0.0004689100000000, 0.0001905000000000, 0.0012576300000000 ] - [ -0.0000189500000000, -0.0002408600000000, -0.0000749600000000 ] - [ -0.0001705800000000, 0.0000041200000000, -0.0000726200000000 ] - [ 0.0000174400000000, -0.0000652400000000, -0.0001466600000000 ] - [ -0.0000041500000000, 0.0000519200000000, 0.0000384700000000 ] - [ -0.0002159000000000, -0.0002752200000000, -0.0000133900000000 ] - [ -0.0000986000000000, -0.0001468500000000, -0.0001812300000000 ] - [ 0.0002829100000000, -0.0000922700000000, -0.0002035000000000 ] - [ -0.0005134600000000, 0.0004368000000000, 0.0002631600000000 ] - [ -0.0000020000000000, 0.0000078500000000, 0.0000859900000000 ] - [ 0.0000597600000000, -0.0000893400000000, 0.0001045000000000 ] - [ 0.0000208200000000, -0.0002424300000000, 0.0001202400000000 ] - [ 0.0009866700000000, 0.0001314700000000, 0.0012526500000000 ] - [ -0.0000151600000000, 0.0000295000000000, -0.0001008400000000 ] - [ 0.0000276900000000, -0.0000169300000000, -0.0000345200000000 ] - [ 0.0000338600000000, -0.0001282300000000, -0.0000271100000000 ] - [ 0.0004930200000000, -0.0003857400000000, 0.0004809000000000 ] - [ 0.0000010500000000, 0.0000155300000000, -0.0000369200000000 ] - [ 0.0000013700000000, 0.0001982100000000, 0.0003300800000000 ] - [ 0.0000078000000000, -0.0000432300000000, 0.0000288900000000 ] - [ -0.0000569400000000, 0.0000793100000000, 0.0000440400000000 ] - [ -0.0000356200000000, 0.0000503400000000, 0.0000499400000000 ] - [ -0.0000126000000000, 0.0000689400000000, 0.0001785900000000 ] - [ -0.0000395800000000, -0.0000503400000000, 0.0001060300000000 ] - [ -0.0004035100000000, -0.0003016200000000, -0.0004601200000000 ] - [ -0.0000122500000000, -0.0000425600000000, -0.0000468100000000 ] - [ -0.0000732500000000, 0.0002358900000000, -0.0001947900000000 ] - [ -0.0000327400000000, 0.0001554100000000, -0.0001078200000000 ] - [ 0.0000344700000000, 0.0000173600000000, -0.0001522600000000 ] - [ 0.0000946100000000, -0.0002243500000000, -0.0000822000000000 ] - [ 0.0001773600000000, -0.0001168800000000, -0.0001734800000000 ] - [ -0.0001172900000000, -0.0002690100000000, -0.0001956200000000 ] - [ -0.0007865600000000, -0.0007198600000000, 0.0006919500000000 ] - [ -0.0000091800000000, -0.0001200500000000, 0.0000804400000000 ] - [ 0.0001086200000000, -0.0000412000000000, 0.0002265700000000 ] - [ 0.0000409500000000, 0.0000022700000000, 0.0000961100000000 ] - [ -0.0007452200000000, 0.0041711900000000, 0.0012945200000000 ] - [ 0.0000430200000000, -0.0000164400000000, -0.0000304100000000 ] - [ -0.0000778300000000, 0.0001014300000000, 0.0001961700000000 ] - [ 0.0000406300000000, -0.0000108200000000, 0.0000780900000000 ] - [ -0.0000018600000000, -0.0001874000000000, -0.0000375300000000 ] - [ -0.0000211700000000, -0.0001644600000000, -0.0000656900000000 ] - [ 0.0000749300000000, -0.0003106900000000, -0.0005128600000000 ] - [ -0.0000173400000000, -0.0005090500000000, -0.0005413800000000 ] - [ 0.0007145600000000, 0.0000696600000000, 0.0006218000000000 ] - [ -0.0000302300000000, -0.0000547400000000, -0.0000371500000000 ] - [ -0.0020386100000000, 0.0011224700000000, -0.0005940300000000 ] - [ 0.0000001300000000, -0.0000816800000000, -0.0000182300000000 ] - [ 0.0003149700000000, -0.0002504900000000, 0.0003148200000000 ] - [ 0.0000328300000000, 0.0001150200000000, 0.0000358000000000 ] - [ 0.0000266700000000, 0.0000293300000000, 0.0003090500000000 ] - [ 0.0000409700000000, -0.0004337700000000, 0.0004537100000000 ] - [ -0.0000329300000000, 0.0001859500000000, -0.0000535000000000 ] - [ -0.0001701500000000, -0.0000875200000000, -0.0000500500000000 ] - [ -0.0001385200000000, -0.0000824000000000, 0.0001891000000000 ] - [ -0.0000129100000000, -0.0001826600000000, 0.0000688300000000 ] - [ -0.0004373700000000, 0.0003817700000000, 0.0000862300000000 ] - [ 0.0000511100000000, -0.0000790300000000, 0.0000287600000000 ]- atom: 67 displacement: [ 0.0028919147919272, 0.0000000000000000, -0.0095727127208661 ] forces: - [ 0.0004539500000000, 0.0008639900000000, 0.0015722200000000 ] - [ -0.0000820000000000, -0.0000758000000000, 0.0002024700000000 ] - [ -0.0009180400000000, 0.0003758400000000, 0.0015029800000000 ] - [ -0.0000366200000000, -0.0002171400000000, 0.0001582300000000 ] - [ -0.0005654700000000, -0.0015507500000000, -0.0001529700000000 ] - [ -0.0001953200000000, 0.0002729800000000, -0.0002292300000000 ] - [ -0.0005015900000000, 0.0003930700000000, -0.0000864700000000 ] - [ -0.0000461600000000, -0.0001731700000000, -0.0001437300000000 ] - [ 0.0001762100000000, 0.0004354600000000, 0.0003400300000000 ] - [ 0.0000650400000000, -0.0000536100000000, 0.0000425900000000 ] - [ 0.0000132300000000, -0.0001080800000000, -0.0004756500000000 ] - [ 0.0003068700000000, -0.0003604400000000, -0.0001543600000000 ] - [ 0.0001978900000000, -0.0002672000000000, 0.0014555400000000 ] - [ -0.0001535900000000, 0.0001381200000000, 0.0000854400000000 ] - [ 0.0031677200000000, -0.0004039900000000, -0.0030571200000000 ] - [ 0.0000205100000000, -0.0002685900000000, -0.0001749000000000 ] - [ 0.0001274100000000, 0.0001487100000000, -0.0008202500000000 ] - [ 0.0000124500000000, -0.0003657500000000, -0.0002155300000000 ] - [ 0.0052802000000000, 0.0017803000000000, -0.0048206000000000 ] - [ -0.0000261500000000, -0.0003571800000000, 0.0001153700000000 ] - [ -0.0003621700000000, 0.0005572700000000, 0.0002322600000000 ] - [ 0.0000601800000000, -0.0000064400000000, -0.0000978700000000 ] - [ 0.0002420500000000, 0.0003380300000000, 0.0003282900000000 ] - [ 0.0000435500000000, -0.0002007700000000, 0.0000174800000000 ] - [ -0.0003454900000000, 0.0000418700000000, 0.0002701300000000 ] - [ -0.0000200200000000, 0.0001460100000000, 0.0002934500000000 ] - [ -0.0000366500000000, 0.0000385000000000, 0.0002088100000000 ] - [ 0.0001233900000000, -0.0002354900000000, 0.0003270900000000 ] - [ -0.0002809500000000, 0.0000594500000000, -0.0006295100000000 ] - [ -0.0001805500000000, -0.0003525700000000, -0.0000465900000000 ] - [ 0.0017923400000000, 0.0007850900000000, -0.0028338700000000 ] - [ 0.0001083300000000, -0.0002199200000000, -0.0002884700000000 ] - [ 0.0005568200000000, -0.0001183300000000, 0.0016485400000000 ] - [ 0.0002156600000000, 0.0001178400000000, 0.0000026500000000 ] - [ 0.0020096800000000, 0.0002140700000000, -0.0004156500000000 ] - [ 0.0001927600000000, -0.0003470700000000, -0.0000479500000000 ] - [ -0.0002611200000000, 0.0004289600000000, 0.0002618800000000 ] - [ -0.0001651700000000, -0.0000682400000000, 0.0001389400000000 ] - [ -0.0003986300000000, 0.0003666300000000, -0.0000147200000000 ] - [ -0.0001755100000000, -0.0001530600000000, -0.0000603000000000 ] - [ 0.0001344400000000, 0.0001809800000000, -0.0003881300000000 ] - [ -0.0006993200000000, -0.0013674300000000, -0.0004288900000000 ] - [ 0.0001147100000000, -0.0003089200000000, 0.0000544500000000 ] - [ -0.0002438600000000, -0.0001904300000000, -0.0002826400000000 ] - [ 0.0002357400000000, 0.0004386100000000, 0.0004853000000000 ] - [ 0.0002447100000000, -0.0003360200000000, 0.0000692000000000 ] - [ -0.0001214000000000, -0.0003133700000000, 0.0008556600000000 ] - [ -0.0001636500000000, -0.0001771900000000, 0.0003569800000000 ] - [ 0.0003619400000000, -0.0000767900000000, -0.0000685300000000 ] - [ 0.0000790100000000, 0.0002805500000000, -0.0000510100000000 ] - [ -0.0005229100000000, -0.0005008000000000, -0.0027982500000000 ] - [ 0.0000287100000000, 0.0001000800000000, 0.0000525400000000 ] - [ 0.0000312500000000, -0.0003718600000000, -0.0000820100000000 ] - [ 0.0000248500000000, 0.0001213000000000, -0.0001229000000000 ] - [ -0.0011750400000000, 0.0053684800000000, -0.0016837100000000 ] - [ -0.0002327900000000, 0.0001070300000000, 0.0002069500000000 ] - [ 0.0001597900000000, 0.0033648200000000, -0.0023269500000000 ] - [ -0.0001279900000000, 0.0001466200000000, 0.0000387400000000 ] - [ -0.0000371200000000, -0.0001848000000000, 0.0000968300000000 ] - [ -0.0000719000000000, 0.0000980900000000, 0.0000692100000000 ] - [ 0.0000929000000000, 0.0006193700000000, -0.0008181500000000 ] - [ 0.0002205900000000, -0.0002844800000000, -0.0004463000000000 ] - [ 0.0002916800000000, -0.0001342500000000, 0.0001750500000000 ] - [ -0.0000049500000000, 0.0002290300000000, 0.0000879100000000 ] - [ -0.0000696700000000, 0.0000935900000000, -0.0002172100000000 ] - [ 0.0000573200000000, 0.0000461500000000, -0.0000689400000000 ] - [ -0.0156632100000000, -0.0029866400000000, 0.0219427500000000 ] - [ -0.0000636700000000, 0.0001213200000000, 0.0000954000000000 ] - [ 0.0001772200000000, -0.0003215500000000, -0.0003987600000000 ] - [ 0.0000152800000000, 0.0000476500000000, 0.0000622400000000 ] - [ 0.0004712900000000, 0.0003293300000000, 0.0009045800000000 ] - [ 0.0000185800000000, 0.0000425400000000, 0.0000545800000000 ] - [ 0.0011189400000000, -0.0041872000000000, -0.0033496400000000 ] - [ -0.0000248900000000, 0.0002905300000000, -0.0000949400000000 ] - [ 0.0014625600000000, 0.0015047200000000, -0.0014992200000000 ] - [ 0.0000103300000000, -0.0000821700000000, -0.0001149100000000 ] - [ 0.0013257700000000, -0.0008689500000000, 0.0011795400000000 ] - [ 0.0000087400000000, 0.0000102200000000, 0.0000284500000000 ] - [ -0.0001898500000000, -0.0002871500000000, 0.0001470800000000 ] - [ 0.0000101400000000, 0.0000164800000000, 0.0000857600000000 ] - [ -0.0002350900000000, -0.0001188000000000, -0.0005712300000000 ] - [ -0.0000109800000000, 0.0000652500000000, -0.0000286300000000 ] - [ 0.0001149100000000, 0.0001073200000000, 0.0002111400000000 ] - [ 0.0000312400000000, 0.0002335900000000, 0.0001308300000000 ] - [ 0.0000192800000000, -0.0001042100000000, -0.0003428600000000 ] - [ 0.0000084500000000, 0.0001473800000000, -0.0000451000000000 ] - [ -0.0005056700000000, -0.0005351200000000, -0.0014186400000000 ] - [ -0.0000143300000000, -0.0001023900000000, -0.0000810300000000 ] - [ 0.0002228200000000, 0.0000566800000000, -0.0001107800000000 ] - [ 0.0000374000000000, 0.0001254300000000, -0.0000361800000000 ] - [ 0.0000040800000000, -0.0000512400000000, -0.0000390800000000 ] - [ 0.0002160200000000, 0.0002760800000000, 0.0000137800000000 ] - [ 0.0000994500000000, 0.0001321800000000, 0.0001820500000000 ] - [ -0.0002839300000000, 0.0000798600000000, 0.0002048300000000 ] - [ 0.0005156700000000, -0.0002532100000000, -0.0001067400000000 ] - [ 0.0000010200000000, 0.0001784400000000, 0.0000702100000000 ] - [ -0.0000272800000000, -0.0002538500000000, 0.0000499400000000 ] - [ 0.0000137100000000, -0.0001007800000000, 0.0000355100000000 ] - [ -0.0009695800000000, 0.0000526600000000, -0.0013931100000000 ] - [ 0.0000153700000000, 0.0001576600000000, -0.0000564500000000 ] - [ 0.0000265500000000, -0.0000451700000000, -0.0001481000000000 ] - [ 0.0000216000000000, 0.0000669000000000, -0.0001563300000000 ] - [ -0.0004938900000000, 0.0003874100000000, -0.0004838900000000 ] - [ -0.0000003900000000, -0.0000156700000000, 0.0000355600000000 ] - [ -0.0000025400000000, -0.0001821700000000, -0.0003300600000000 ] - [ -0.0000082800000000, 0.0000574400000000, -0.0000294800000000 ] - [ 0.0000006800000000, -0.0000176500000000, 0.0001388400000000 ] - [ -0.0000209100000000, 0.0000117700000000, 0.0001335600000000 ] - [ -0.0000442200000000, -0.0001307400000000, 0.0000049800000000 ] - [ -0.0000163700000000, -0.0000120300000000, 0.0000760500000000 ] - [ 0.0004033400000000, 0.0002835800000000, 0.0004579700000000 ] - [ 0.0000115900000000, 0.0000253000000000, 0.0000479100000000 ] - [ 0.0000370900000000, 0.0001060300000000, 0.0000389800000000 ] - [ -0.0000022200000000, 0.0001879000000000, -0.0000483900000000 ] - [ -0.0000326600000000, -0.0002039000000000, -0.0000029500000000 ] - [ -0.0000945100000000, 0.0000377900000000, -0.0000739300000000 ] - [ -0.0001749700000000, -0.0000326300000000, 0.0001719500000000 ] - [ 0.0001181500000000, 0.0001202000000000, 0.0001945900000000 ] - [ 0.0007758500000000, 0.0005194900000000, -0.0005286300000000 ] - [ 0.0000096000000000, -0.0000681800000000, 0.0000755200000000 ] - [ -0.0001090200000000, 0.0000584400000000, -0.0002290400000000 ] - [ -0.0000408200000000, 0.0000129200000000, -0.0000963000000000 ] - [ 0.0007856300000000, -0.0038660400000000, -0.0011428000000000 ] - [ -0.0000074800000000, 0.0003597300000000, 0.0001866900000000 ] - [ 0.0000765000000000, 0.0000462200000000, -0.0001946300000000 ] - [ -0.0000401000000000, 0.0001606400000000, -0.0000779200000000 ] - [ -0.0000339900000000, -0.0001555500000000, -0.0001172200000000 ] - [ -0.0000129300000000, -0.0001785500000000, -0.0000898800000000 ] - [ -0.0000192100000000, 0.0003701000000000, 0.0003288900000000 ] - [ 0.0000726500000000, 0.0005707800000000, 0.0003576100000000 ] - [ -0.0007155800000000, -0.0000662100000000, -0.0006231200000000 ] - [ 0.0000299900000000, 0.0000540300000000, 0.0000367900000000 ] - [ 0.0020454400000000, -0.0011386800000000, 0.0005830100000000 ] - [ -0.0000003500000000, 0.0000666300000000, 0.0000177900000000 ] - [ -0.0003134500000000, 0.0004325000000000, -0.0001539200000000 ] - [ -0.0000329100000000, 0.0000732200000000, 0.0001197200000000 ] - [ 0.0000079400000000, -0.0003715900000000, -0.0001531600000000 ] - [ -0.0000053200000000, 0.0000894300000000, -0.0002970800000000 ] - [ 0.0000325600000000, 0.0000027000000000, -0.0001023300000000 ] - [ 0.0001684100000000, 0.0002720700000000, -0.0001058100000000 ] - [ 0.0001952600000000, 0.0000187600000000, -0.0003715400000000 ] - [ 0.0000690100000000, 0.0001221100000000, -0.0002507300000000 ] - [ 0.0004341300000000, -0.0003780500000000, -0.0000871000000000 ] - [ -0.0000517100000000, 0.0000797100000000, -0.0000273000000000 ]- atom: 71 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ 0.0004000700000000, 0.0001521100000000, 0.0002844700000000 ] - [ -0.0000263900000000, 0.0001579300000000, 0.0001459300000000 ] - [ -0.0001329600000000, -0.0000817300000000, -0.0006040100000000 ] - [ -0.0000730300000000, 0.0000047600000000, -0.0000329800000000 ] - [ 0.0009946600000000, 0.0009298800000000, -0.0011374800000000 ] - [ -0.0001439700000000, -0.0002551000000000, 0.0000217400000000 ] - [ -0.0023474000000000, -0.0000411900000000, 0.0010886300000000 ] - [ -0.0000319100000000, 0.0000328000000000, -0.0000518000000000 ] - [ 0.0003091900000000, 0.0001789600000000, -0.0000325700000000 ] - [ 0.0003262800000000, 0.0001864300000000, -0.0000337900000000 ] - [ 0.0014014000000000, -0.0012596500000000, -0.0011048300000000 ] - [ 0.0002430600000000, -0.0000989300000000, 0.0000226400000000 ] - [ -0.0000778000000000, 0.0001746700000000, -0.0000314000000000 ] - [ -0.0000598400000000, 0.0001669000000000, -0.0000339900000000 ] - [ -0.0023581900000000, 0.0001107700000000, 0.0011949200000000 ] - [ -0.0000532200000000, 0.0000389700000000, 0.0000618800000000 ] - [ 0.0036507100000000, -0.0019729000000000, 0.0021584500000000 ] - [ 0.0001176600000000, -0.0002052200000000, -0.0001113500000000 ] - [ 0.0034866200000000, 0.0016080900000000, 0.0023549100000000 ] - [ -0.0000147500000000, -0.0000991600000000, 0.0001758800000000 ] - [ 0.0005356500000000, 0.0001526900000000, -0.0000050600000000 ] - [ 0.0001074900000000, 0.0001479900000000, -0.0001432100000000 ] - [ -0.0001069200000000, 0.0000111100000000, -0.0007193600000000 ] - [ -0.0000525200000000, -0.0000754300000000, -0.0001453400000000 ] - [ -0.0001778100000000, 0.0003264600000000, 0.0000554300000000 ] - [ -0.0004687900000000, -0.0003357000000000, -0.0000863100000000 ] - [ 0.0006074300000000, -0.0001644300000000, -0.0004157900000000 ] - [ 0.0000572100000000, 0.0000096200000000, 0.0000622800000000 ] - [ -0.0005794500000000, -0.0000718300000000, 0.0002914900000000 ] - [ -0.0002652900000000, -0.0001891000000000, 0.0000255300000000 ] - [ 0.0002815000000000, -0.0003139300000000, 0.0001693600000000 ] - [ 0.0002682400000000, 0.0003354400000000, 0.0002106100000000 ] - [ -0.0004370600000000, 0.0002591700000000, -0.0012311800000000 ] - [ 0.0001615600000000, 0.0001772000000000, -0.0000201100000000 ] - [ -0.0001923400000000, -0.0002805000000000, 0.0002911500000000 ] - [ 0.0001225100000000, -0.0001661500000000, 0.0000258700000000 ] - [ -0.0008258400000000, 0.0000935200000000, -0.0012331600000000 ] - [ -0.0002283700000000, 0.0001780700000000, -0.0000221000000000 ] - [ 0.0002649300000000, 0.0003857300000000, 0.0002809700000000 ] - [ 0.0002514500000000, -0.0002623300000000, 0.0003231200000000 ] - [ -0.0004116400000000, -0.0000638000000000, 0.0000738700000000 ] - [ -0.0000284300000000, -0.0001887800000000, -0.0001533700000000 ] - [ -0.0005454900000000, -0.0002414400000000, 0.0003644300000000 ] - [ -0.0001617900000000, -0.0001161900000000, 0.0001342500000000 ] - [ -0.0000452400000000, -0.0000201800000000, -0.0002321700000000 ] - [ -0.0003361400000000, 0.0006405400000000, -0.0003765600000000 ] - [ 0.0006254300000000, 0.0000955500000000, -0.0005297300000000 ] - [ 0.0000799100000000, -0.0000819600000000, -0.0000513500000000 ] - [ 0.0042590100000000, 0.0005298800000000, 0.0033240700000000 ] - [ 0.0000461900000000, 0.0000609800000000, -0.0000956900000000 ] - [ -0.0001756100000000, 0.0000044400000000, 0.0001357900000000 ] - [ -0.0000358300000000, -0.0000847800000000, 0.0001104100000000 ] - [ -0.0001147500000000, -0.0001372600000000, -0.0000445400000000 ] - [ 0.0000275000000000, -0.0000482700000000, -0.0000700700000000 ] - [ 0.0041612800000000, -0.0004018700000000, 0.0034636700000000 ] - [ -0.0000172000000000, 0.0000724700000000, 0.0000846100000000 ] - [ 0.0000412500000000, 0.0001955400000000, -0.0002051100000000 ] - [ 0.0000638700000000, -0.0000719500000000, -0.0002128700000000 ] - [ 0.0001023200000000, 0.0005488000000000, 0.0017608800000000 ] - [ -0.0000571600000000, -0.0001354100000000, 0.0001039900000000 ] - [ 0.0001701600000000, -0.0006790100000000, 0.0015759700000000 ] - [ 0.0000073100000000, 0.0000020400000000, -0.0000754100000000 ] - [ -0.0000258500000000, -0.0000645000000000, -0.0000239800000000 ] - [ -0.0000021700000000, 0.0002053400000000, -0.0000326000000000 ] - [ -0.0000451300000000, 0.0000071200000000, -0.0000088300000000 ] - [ -0.0001908400000000, 0.0000069900000000, 0.0000725000000000 ] - [ 0.0003844800000000, 0.0005724400000000, -0.0002772600000000 ] - [ -0.0000130700000000, -0.0000025400000000, 0.0000752800000000 ] - [ -0.0001644300000000, 0.0000651200000000, 0.0002951900000000 ] - [ -0.0000313500000000, -0.0000259500000000, 0.0001001400000000 ] - [ -0.0134142600000000, 0.0000307200000000, -0.0145313900000000 ] - [ -0.0000179000000000, -0.0000091300000000, -0.0000269900000000 ] - [ 0.0000507700000000, 0.0002759100000000, -0.0004351700000000 ] - [ -0.0000152700000000, 0.0001772700000000, -0.0000877500000000 ] - [ -0.0007784600000000, -0.0001344200000000, -0.0000497300000000 ] - [ -0.0000145400000000, -0.0000876700000000, -0.0000766700000000 ] - [ -0.0011934900000000, -0.0000582700000000, -0.0003098300000000 ] - [ -0.0000502600000000, -0.0000742800000000, -0.0000209900000000 ] - [ -0.0007870200000000, -0.0000587600000000, 0.0000880000000000 ] - [ -0.0000201200000000, -0.0001025500000000, 0.0000793000000000 ] - [ -0.0000861400000000, 0.0000090700000000, -0.0000561000000000 ] - [ -0.0000135500000000, 0.0000091600000000, -0.0000085500000000 ] - [ 0.0000830200000000, 0.0000703600000000, -0.0002827300000000 ] - [ 0.0000170400000000, 0.0001702600000000, 0.0000666800000000 ] - [ -0.0002103600000000, 0.0000723300000000, 0.0001577200000000 ] - [ -0.0000212400000000, 0.0000737600000000, 0.0000025500000000 ] - [ 0.0005265800000000, 0.0003849400000000, 0.0017790100000000 ] - [ -0.0000154200000000, -0.0002098500000000, -0.0000667600000000 ] - [ 0.0004405700000000, -0.0005171300000000, -0.0004572100000000 ] - [ 0.0000411500000000, 0.0000640100000000, -0.0001057800000000 ] - [ -0.0000450700000000, -0.0000268500000000, -0.0000322000000000 ] - [ -0.0002593100000000, -0.0002375600000000, -0.0000460200000000 ] - [ -0.0008273300000000, -0.0000228900000000, -0.0001295800000000 ] - [ -0.0000499900000000, -0.0000061700000000, -0.0000082200000000 ] - [ -0.0003081100000000, 0.0002418700000000, 0.0001331900000000 ] - [ -0.0000338000000000, 0.0000963200000000, 0.0000640400000000 ] - [ 0.0005619300000000, -0.0007348700000000, 0.0019386400000000 ] - [ 0.0000177700000000, -0.0001366600000000, 0.0000879800000000 ] - [ -0.0003011500000000, -0.0000508900000000, -0.0000241200000000 ] - [ -0.0000282200000000, 0.0000941500000000, -0.0000925400000000 ] - [ -0.0001114900000000, -0.0001264000000000, 0.0001147400000000 ] - [ 0.0000226300000000, -0.0000350300000000, -0.0000802200000000 ] - [ -0.0000455400000000, 0.0000269700000000, -0.0000323600000000 ] - [ -0.0002594700000000, 0.0002372100000000, -0.0000462900000000 ] - [ 0.0003484100000000, 0.0000065200000000, 0.0003548100000000 ] - [ 0.0000211800000000, 0.0000073400000000, 0.0000116200000000 ] - [ 0.0003545300000000, 0.0005351300000000, -0.0002171800000000 ] - [ -0.0000145200000000, 0.0000071400000000, 0.0000816400000000 ] - [ -0.0000611800000000, -0.0001134800000000, 0.0001226100000000 ] - [ -0.0000523800000000, 0.0001005700000000, 0.0001962900000000 ] - [ 0.0000524400000000, -0.0000093500000000, 0.0000224400000000 ] - [ 0.0000526400000000, -0.0000087300000000, 0.0000175300000000 ] - [ -0.0000236600000000, 0.0000278300000000, -0.0000659000000000 ] - [ 0.0000004300000000, 0.0004368800000000, -0.0001229000000000 ] - [ 0.0000687400000000, -0.0001026400000000, -0.0000699400000000 ] - [ 0.0001184700000000, -0.0001497800000000, -0.0000971500000000 ] - [ 0.0004420100000000, -0.0000737200000000, -0.0001311000000000 ] - [ 0.0000253400000000, -0.0000737600000000, 0.0000083200000000 ] - [ 0.0000625900000000, -0.0000883200000000, 0.0000864200000000 ] - [ 0.0001132100000000, -0.0000396900000000, 0.0000592500000000 ] - [ 0.0004013500000000, 0.0000096000000000, 0.0005628100000000 ] - [ 0.0000285900000000, 0.0000087400000000, 0.0000400800000000 ] - [ 0.0000100400000000, 0.0003190300000000, 0.0000894400000000 ] - [ 0.0000341000000000, -0.0000891600000000, 0.0000322400000000 ] - [ 0.0001251500000000, 0.0000733600000000, 0.0000809500000000 ] - [ 0.0001240900000000, 0.0000740100000000, 0.0001582700000000 ] - [ -0.0000147400000000, -0.0001190300000000, 0.0000013400000000 ] - [ -0.0000190600000000, -0.0001878800000000, -0.0000656300000000 ] - [ 0.0004026900000000, -0.0004665800000000, -0.0003965700000000 ] - [ 0.0000405700000000, 0.0000538400000000, -0.0000990100000000 ] - [ 0.0004371500000000, 0.0002849900000000, 0.0002015400000000 ] - [ 0.0000186600000000, 0.0000083700000000, 0.0000105700000000 ] - [ 0.0005013400000000, -0.0000077200000000, -0.0001639300000000 ] - [ 0.0000241300000000, -0.0000071400000000, 0.0000034400000000 ] - [ 0.0002430600000000, -0.0001155300000000, 0.0000999800000000 ] - [ 0.0000193000000000, 0.0001004200000000, 0.0000733700000000 ] - [ 0.0000194600000000, -0.0002278900000000, 0.0001557600000000 ] - [ 0.0000144100000000, -0.0001592500000000, 0.0000886500000000 ] - [ 0.0002488600000000, 0.0003063700000000, -0.0000567300000000 ] - [ 0.0000245500000000, 0.0000893500000000, -0.0000831400000000 ] - [ -0.0000061300000000, 0.0000520500000000, -0.0000580900000000 ] - [ 0.0000029700000000, -0.0001613300000000, 0.0000156700000000 ] - [ 0.0004382800000000, -0.0002866300000000, 0.0002020600000000 ] - [ 0.0000186400000000, -0.0000082100000000, 0.0000105300000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000043300000000, 0.0008399800000000, 0.0003447000000000 ] - [ -0.0001085600000000, -0.0002092200000000, 0.0001068600000000 ] - [ 0.0001130600000000, 0.0001813900000000, -0.0003164500000000 ] - [ 0.0000268900000000, -0.0002974400000000, 0.0000318300000000 ] - [ 0.0011367600000000, 0.0024323500000000, 0.0027920600000000 ] - [ -0.0003244400000000, -0.0007195700000000, -0.0001707100000000 ] - [ 0.0000255100000000, 0.0008566100000000, -0.0000261400000000 ] - [ 0.0000197200000000, -0.0003426900000000, -0.0000668600000000 ] - [ 0.0002938700000000, 0.0000613500000000, -0.0002190300000000 ] - [ 0.0000978900000000, -0.0000630500000000, 0.0001113000000000 ] - [ -0.0011367600000000, 0.0024323500000000, -0.0027920600000000 ] - [ 0.0003244400000000, -0.0007195700000000, 0.0001707100000000 ] - [ -0.0002938700000000, 0.0000613500000000, 0.0002190300000000 ] - [ -0.0000978900000000, -0.0000630500000000, -0.0001113000000000 ] - [ -0.0000255100000000, 0.0008566100000000, 0.0000261400000000 ] - [ -0.0000197200000000, -0.0003426900000000, 0.0000668600000000 ] - [ -0.0018528200000000, 0.0095313800000000, -0.0043129900000000 ] - [ -0.0001005300000000, -0.0006732300000000, -0.0002843100000000 ] - [ 0.0018528200000000, 0.0095313800000000, 0.0043129900000000 ] - [ 0.0001005300000000, -0.0006732300000000, 0.0002843100000000 ] - [ 0.0000043300000000, 0.0008399800000000, -0.0003447000000000 ] - [ 0.0001085600000000, -0.0002092200000000, -0.0001068600000000 ] - [ -0.0001130600000000, 0.0001813900000000, 0.0003164500000000 ] - [ -0.0000268900000000, -0.0002974400000000, -0.0000318300000000 ] - [ -0.0000398500000000, -0.0001808000000000, 0.0002682100000000 ] - [ -0.0003205800000000, -0.0000433100000000, 0.0001804200000000 ] - [ 0.0002316700000000, 0.0002282100000000, -0.0003433900000000 ] - [ -0.0000011600000000, -0.0003391600000000, 0.0000930900000000 ] - [ 0.0000455600000000, 0.0000900400000000, -0.0002314500000000 ] - [ -0.0002856100000000, -0.0005444800000000, 0.0000017100000000 ] - [ -0.0011816000000000, -0.0006306000000000, 0.0006348000000000 ] - [ 0.0010628500000000, -0.0006127200000000, -0.0006906100000000 ] - [ 0.0004387100000000, 0.0013566400000000, -0.0002436000000000 ] - [ 0.0001555800000000, -0.0001726600000000, 0.0000016700000000 ] - [ -0.0000455600000000, 0.0000900400000000, 0.0002314500000000 ] - [ 0.0002856100000000, -0.0005444800000000, -0.0000017100000000 ] - [ -0.0004387100000000, 0.0013566400000000, 0.0002436000000000 ] - [ -0.0001555800000000, -0.0001726600000000, -0.0000016700000000 ] - [ 0.0011816000000000, -0.0006306000000000, -0.0006348000000000 ] - [ -0.0010628500000000, -0.0006127200000000, 0.0006906100000000 ] - [ 0.0003787600000000, -0.0000094100000000, -0.0003151900000000 ] - [ -0.0000567300000000, -0.0004785700000000, -0.0001565500000000 ] - [ -0.0003787600000000, -0.0000094100000000, 0.0003151900000000 ] - [ 0.0000567300000000, -0.0004785700000000, 0.0001565500000000 ] - [ 0.0000398500000000, -0.0001808000000000, -0.0002682100000000 ] - [ 0.0003205800000000, -0.0000433100000000, -0.0001804200000000 ] - [ -0.0002316700000000, 0.0002282100000000, 0.0003433900000000 ] - [ 0.0000011600000000, -0.0003391600000000, -0.0000930900000000 ] - [ -0.0002638400000000, -0.0042472900000000, 0.0000092300000000 ] - [ 0.0000680300000000, 0.0005365600000000, -0.0000466000000000 ] - [ -0.0000827100000000, -0.0003882700000000, -0.0000025800000000 ] - [ -0.0000411100000000, 0.0002597200000000, 0.0001620900000000 ] - [ 0.0000827100000000, -0.0003882700000000, 0.0000025800000000 ] - [ 0.0000411100000000, 0.0002597200000000, -0.0001620900000000 ] - [ 0.0002638400000000, -0.0042472900000000, -0.0000092300000000 ] - [ -0.0000680300000000, 0.0005365600000000, 0.0000466000000000 ] - [ 0.0005869600000000, 0.0001846200000000, -0.0004563200000000 ] - [ -0.0004319800000000, 0.0002472800000000, 0.0002880500000000 ] - [ 0.0006911100000000, -0.0006591000000000, 0.0021792000000000 ] - [ -0.0000205100000000, 0.0002860300000000, 0.0000340700000000 ] - [ -0.0006911100000000, -0.0006591000000000, -0.0021792000000000 ] - [ 0.0000205100000000, 0.0002860300000000, -0.0000340700000000 ] - [ -0.0005869600000000, 0.0001846200000000, 0.0004563200000000 ] - [ 0.0004319800000000, 0.0002472800000000, -0.0002880500000000 ] - [ 0.0000000000000000, 0.0000694300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000578900000000, 0.0000000000000000 ] - [ 0.0005311800000000, 0.0000648400000000, -0.0000914100000000 ] - [ -0.0000916100000000, 0.0002415300000000, 0.0000178300000000 ] - [ -0.0000563300000000, -0.0003634000000000, -0.0000505900000000 ] - [ -0.0000134300000000, 0.0001208300000000, 0.0001546100000000 ] - [ 0.0000000000000000, -0.0295970500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002486600000000, 0.0000000000000000 ] - [ -0.0000006600000000, -0.0000733100000000, -0.0000486500000000 ] - [ -0.0000213500000000, 0.0003141600000000, -0.0001258000000000 ] - [ 0.0000308100000000, -0.0011612100000000, -0.0006505000000000 ] - [ -0.0000453000000000, 0.0000656000000000, -0.0000910200000000 ] - [ 0.0000000000000000, 0.0067403600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005147900000000, 0.0000000000000000 ] - [ -0.0000308100000000, -0.0011612100000000, 0.0006505000000000 ] - [ 0.0000453000000000, 0.0000656000000000, 0.0000910200000000 ] - [ 0.0000000000000000, -0.0001198200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001153000000000, 0.0000000000000000 ] - [ 0.0000006600000000, -0.0000733100000000, 0.0000486500000000 ] - [ 0.0000213500000000, 0.0003141600000000, 0.0001258000000000 ] - [ 0.0000000000000000, -0.0001209100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002075800000000, 0.0000000000000000 ] - [ 0.0006153400000000, 0.0001239000000000, 0.0019107500000000 ] - [ -0.0000215900000000, -0.0000468700000000, -0.0000579100000000 ] - [ -0.0005311800000000, 0.0000648400000000, 0.0000914100000000 ] - [ 0.0000916100000000, 0.0002415300000000, -0.0000178300000000 ] - [ 0.0000804000000000, 0.0001525600000000, 0.0001258100000000 ] - [ 0.0001003100000000, 0.0000550200000000, -0.0002323500000000 ] - [ 0.0000000000000000, 0.0067449300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005746300000000, 0.0000000000000000 ] - [ -0.0003399200000000, 0.0000689200000000, 0.0003587600000000 ] - [ -0.0000156700000000, 0.0002585600000000, 0.0000097900000000 ] - [ -0.0006153400000000, 0.0001239000000000, -0.0019107500000000 ] - [ 0.0000215900000000, -0.0000468700000000, 0.0000579100000000 ] - [ 0.0003399200000000, 0.0000689200000000, -0.0003587600000000 ] - [ 0.0000156700000000, 0.0002585600000000, -0.0000097900000000 ] - [ 0.0000563300000000, -0.0003634000000000, 0.0000505900000000 ] - [ 0.0000134300000000, 0.0001208300000000, -0.0001546100000000 ] - [ -0.0000804000000000, 0.0001525600000000, -0.0001258100000000 ] - [ -0.0001003100000000, 0.0000550200000000, 0.0002323500000000 ] - [ 0.0000000000000000, -0.0001441700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001115100000000, 0.0000000000000000 ] - [ 0.0005634300000000, 0.0001414000000000, -0.0000381200000000 ] - [ -0.0001016600000000, 0.0002359700000000, 0.0000319500000000 ] - [ -0.0000102200000000, 0.0000466200000000, 0.0001011000000000 ] - [ -0.0000219200000000, 0.0000566500000000, 0.0001437900000000 ] - [ 0.0000000000000000, 0.0000338500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000332200000000, 0.0000000000000000 ] - [ -0.0001055900000000, 0.0004148200000000, -0.0002550700000000 ] - [ 0.0001124600000000, 0.0003683700000000, 0.0000637800000000 ] - [ -0.0000202400000000, -0.0000857700000000, -0.0000577900000000 ] - [ 0.0000003600000000, -0.0000304700000000, -0.0001046600000000 ] - [ 0.0000000000000000, -0.0002727700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000625900000000, 0.0000000000000000 ] - [ 0.0000202400000000, -0.0000857700000000, 0.0000577900000000 ] - [ -0.0000003600000000, -0.0000304700000000, 0.0001046600000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001161100000000, 0.0000000000000000 ] - [ 0.0001055900000000, 0.0004148200000000, 0.0002550700000000 ] - [ -0.0001124600000000, 0.0003683700000000, -0.0000637800000000 ] - [ 0.0000000000000000, 0.0001200000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001994400000000, 0.0000000000000000 ] - [ -0.0000076800000000, -0.0002524700000000, -0.0000898600000000 ] - [ -0.0000089800000000, -0.0000616000000000, -0.0000241300000000 ] - [ -0.0005634300000000, 0.0001414000000000, 0.0000381200000000 ] - [ 0.0001016600000000, 0.0002359700000000, -0.0000319500000000 ] - [ -0.0001017400000000, -0.0001965000000000, -0.0000183700000000 ] - [ 0.0000905500000000, 0.0001217800000000, 0.0000268900000000 ] - [ 0.0000000000000000, -0.0001435400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001044300000000, 0.0000000000000000 ] - [ 0.0000660700000000, -0.0001135000000000, 0.0001334300000000 ] - [ -0.0000384800000000, 0.0002248400000000, 0.0000695600000000 ] - [ 0.0000076800000000, -0.0002524700000000, 0.0000898600000000 ] - [ 0.0000089800000000, -0.0000616000000000, 0.0000241300000000 ] - [ -0.0000660700000000, -0.0001135000000000, -0.0001334300000000 ] - [ 0.0000384800000000, 0.0002248400000000, -0.0000695600000000 ] - [ 0.0000102200000000, 0.0000466200000000, -0.0001011000000000 ] - [ 0.0000219200000000, 0.0000566500000000, -0.0001437900000000 ] - [ 0.0001017400000000, -0.0001965000000000, 0.0000183700000000 ] - [ -0.0000905500000000, 0.0001217800000000, -0.0000268900000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001405000000000, -0.0005438200000000, -0.0000503400000000 ] - [ -0.0000338500000000, 0.0005078500000000, 0.0001852000000000 ] - [ -0.0001297300000000, -0.0002524900000000, 0.0004270200000000 ] - [ -0.0000424900000000, 0.0002274600000000, 0.0000775300000000 ] - [ -0.0015592200000000, -0.0026771000000000, -0.0028392500000000 ] - [ -0.0000603500000000, 0.0003681700000000, 0.0001766400000000 ] - [ 0.0000040400000000, -0.0007826600000000, -0.0000915400000000 ] - [ -0.0000038100000000, 0.0004112200000000, -0.0000424600000000 ] - [ 0.0000909400000000, 0.0002845300000000, 0.0002136500000000 ] - [ 0.0002871300000000, 0.0004137600000000, -0.0001155200000000 ] - [ 0.0015592200000000, -0.0026771000000000, 0.0028392500000000 ] - [ 0.0000603500000000, 0.0003681700000000, -0.0001766400000000 ] - [ -0.0000909400000000, 0.0002845300000000, -0.0002136500000000 ] - [ -0.0002871300000000, 0.0004137600000000, 0.0001155200000000 ] - [ -0.0000040400000000, -0.0007826600000000, 0.0000915400000000 ] - [ 0.0000038100000000, 0.0004112200000000, 0.0000424600000000 ] - [ 0.0021265900000000, -0.0099965300000000, 0.0042587400000000 ] - [ 0.0002391100000000, 0.0003712400000000, -0.0000095500000000 ] - [ -0.0021265900000000, -0.0099965300000000, -0.0042587400000000 ] - [ -0.0002391100000000, 0.0003712400000000, 0.0000095500000000 ] - [ 0.0001405000000000, -0.0005438200000000, 0.0000503400000000 ] - [ 0.0000338500000000, 0.0005078500000000, -0.0001852000000000 ] - [ 0.0001297300000000, -0.0002524900000000, -0.0004270200000000 ] - [ 0.0000424900000000, 0.0002274600000000, -0.0000775300000000 ] - [ -0.0001026900000000, 0.0004787200000000, 0.0000229500000000 ] - [ 0.0001792400000000, 0.0003448300000000, 0.0001122000000000 ] - [ -0.0002452100000000, -0.0002903500000000, 0.0004517600000000 ] - [ -0.0000159000000000, 0.0002675200000000, 0.0000154700000000 ] - [ -0.0004312400000000, -0.0004419500000000, 0.0002379200000000 ] - [ -0.0001004900000000, 0.0001925900000000, 0.0000032400000000 ] - [ 0.0012085900000000, 0.0006980500000000, -0.0007506000000000 ] - [ -0.0010335400000000, 0.0006813300000000, 0.0005745800000000 ] - [ -0.0000529300000000, -0.0010020000000000, 0.0002314000000000 ] - [ 0.0002313100000000, 0.0005217900000000, -0.0000060500000000 ] - [ 0.0004312400000000, -0.0004419500000000, -0.0002379200000000 ] - [ 0.0001004900000000, 0.0001925900000000, -0.0000032400000000 ] - [ 0.0000529300000000, -0.0010020000000000, -0.0002314000000000 ] - [ -0.0002313100000000, 0.0005217900000000, 0.0000060500000000 ] - [ -0.0012085900000000, 0.0006980500000000, 0.0007506000000000 ] - [ 0.0010335400000000, 0.0006813300000000, -0.0005745800000000 ] - [ -0.0002350600000000, -0.0002870300000000, 0.0000218400000000 ] - [ 0.0001978400000000, 0.0001757400000000, -0.0001346000000000 ] - [ 0.0002350600000000, -0.0002870300000000, -0.0000218400000000 ] - [ -0.0001978400000000, 0.0001757400000000, 0.0001346000000000 ] - [ 0.0001026900000000, 0.0004787200000000, -0.0000229500000000 ] - [ -0.0001792400000000, 0.0003448300000000, -0.0001122000000000 ] - [ 0.0002452100000000, -0.0002903500000000, -0.0004517600000000 ] - [ 0.0000159000000000, 0.0002675200000000, -0.0000154700000000 ] - [ 0.0002998700000000, 0.0043714100000000, -0.0002207600000000 ] - [ -0.0000043000000000, -0.0004031500000000, -0.0001331400000000 ] - [ 0.0000207600000000, 0.0002612500000000, 0.0001844700000000 ] - [ -0.0000217100000000, -0.0003924300000000, 0.0000182400000000 ] - [ -0.0000207600000000, 0.0002612500000000, -0.0001844700000000 ] - [ 0.0000217100000000, -0.0003924300000000, -0.0000182400000000 ] - [ -0.0002998700000000, 0.0043714100000000, 0.0002207600000000 ] - [ 0.0000043000000000, -0.0004031500000000, 0.0001331400000000 ] - [ -0.0005263800000000, -0.0000515200000000, 0.0002773100000000 ] - [ 0.0004907900000000, -0.0001167500000000, -0.0004647000000000 ] - [ -0.0007502400000000, 0.0005227700000000, -0.0019768100000000 ] - [ -0.0000423700000000, -0.0004173400000000, 0.0001463100000000 ] - [ 0.0007502400000000, 0.0005227700000000, 0.0019768100000000 ] - [ 0.0000423700000000, -0.0004173400000000, -0.0001463100000000 ] - [ 0.0005263800000000, -0.0000515200000000, -0.0002773100000000 ] - [ -0.0004907900000000, -0.0001167500000000, 0.0004647000000000 ] - [ 0.0000000000000000, -0.0000542100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000433500000000, 0.0000000000000000 ] - [ -0.0005842500000000, -0.0000009600000000, 0.0002716100000000 ] - [ 0.0000379300000000, -0.0001793300000000, 0.0001628400000000 ] - [ 0.0000036700000000, 0.0003019500000000, 0.0002316900000000 ] - [ -0.0000398000000000, -0.0001822900000000, 0.0000263400000000 ] - [ 0.0000000000000000, 0.0297271600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002674200000000, 0.0000000000000000 ] - [ -0.0000321900000000, 0.0004190600000000, -0.0001081300000000 ] - [ -0.0000130500000000, 0.0000306700000000, -0.0000296000000000 ] - [ -0.0000267500000000, 0.0009626200000000, 0.0005186100000000 ] - [ 0.0000487700000000, -0.0002550400000000, -0.0000659300000000 ] - [ 0.0000000000000000, -0.0070539500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006565200000000, 0.0000000000000000 ] - [ 0.0000267500000000, 0.0009626200000000, -0.0005186100000000 ] - [ -0.0000487700000000, -0.0002550400000000, 0.0000659300000000 ] - [ 0.0000000000000000, 0.0001406800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000967200000000, 0.0000000000000000 ] - [ 0.0000321900000000, 0.0004190600000000, 0.0001081300000000 ] - [ 0.0000130500000000, 0.0000306700000000, 0.0000296000000000 ] - [ 0.0000000000000000, 0.0002644800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000605600000000, 0.0000000000000000 ] - [ -0.0006535300000000, -0.0004698600000000, -0.0020729700000000 ] - [ -0.0000129000000000, -0.0002978200000000, -0.0000980700000000 ] - [ 0.0005842500000000, -0.0000009600000000, -0.0002716100000000 ] - [ -0.0000379300000000, -0.0001793300000000, -0.0001628400000000 ] - [ -0.0000802800000000, -0.0001518700000000, -0.0001262300000000 ] - [ -0.0001000500000000, -0.0000566900000000, 0.0002311000000000 ] - [ 0.0000000000000000, -0.0065885900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005943300000000, 0.0000000000000000 ] - [ 0.0003360600000000, 0.0001236100000000, -0.0002009700000000 ] - [ 0.0000126100000000, -0.0000688700000000, 0.0001462900000000 ] - [ 0.0006535300000000, -0.0004698600000000, 0.0020729700000000 ] - [ 0.0000129000000000, -0.0002978200000000, 0.0000980700000000 ] - [ -0.0003360600000000, 0.0001236100000000, 0.0002009700000000 ] - [ -0.0000126100000000, -0.0000688700000000, -0.0001462900000000 ] - [ -0.0000036700000000, 0.0003019500000000, -0.0002316900000000 ] - [ 0.0000398000000000, -0.0001822900000000, -0.0000263400000000 ] - [ 0.0000802800000000, -0.0001518700000000, 0.0001262300000000 ] - [ 0.0001000500000000, -0.0000566900000000, -0.0002311000000000 ] - [ 0.0000000000000000, 0.0001604200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000965500000000, 0.0000000000000000 ] - [ -0.0006104500000000, -0.0000785700000000, 0.0002181800000000 ] - [ 0.0000487600000000, -0.0001739100000000, 0.0001485800000000 ] - [ -0.0000427500000000, -0.0001076700000000, 0.0000800100000000 ] - [ -0.0000315800000000, -0.0001194700000000, 0.0000369200000000 ] - [ 0.0000000000000000, -0.0000521400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000538600000000, 0.0000000000000000 ] - [ 0.0000712900000000, -0.0000693900000000, 0.0000998900000000 ] - [ -0.0001461800000000, -0.0000239700000000, -0.0002188700000000 ] - [ 0.0000234400000000, -0.0001031000000000, -0.0000994200000000 ] - [ 0.0000030600000000, -0.0001603800000000, -0.0000520800000000 ] - [ 0.0000000000000000, 0.0001237700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002089400000000, 0.0000000000000000 ] - [ -0.0000234400000000, -0.0001031000000000, 0.0000994200000000 ] - [ -0.0000030600000000, -0.0001603800000000, 0.0000520800000000 ] - [ 0.0000000000000000, 0.0000179100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000965100000000, 0.0000000000000000 ] - [ -0.0000712900000000, -0.0000693900000000, -0.0000998900000000 ] - [ 0.0001461800000000, -0.0000239700000000, 0.0002188700000000 ] - [ 0.0000000000000000, 0.0000271600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000529700000000, 0.0000000000000000 ] - [ -0.0000264500000000, -0.0000933900000000, -0.0000656700000000 ] - [ -0.0000251700000000, -0.0002821200000000, -0.0001310000000000 ] - [ 0.0006104500000000, -0.0000785700000000, -0.0002181800000000 ] - [ -0.0000487600000000, -0.0001739100000000, -0.0001485800000000 ] - [ 0.0001036300000000, 0.0001981800000000, 0.0000192800000000 ] - [ -0.0000904900000000, -0.0001219000000000, -0.0000269400000000 ] - [ 0.0000000000000000, 0.0001314100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001198700000000, 0.0000000000000000 ] - [ -0.0000687300000000, 0.0003016000000000, 0.0000241100000000 ] - [ 0.0000350600000000, -0.0000344700000000, 0.0000871500000000 ] - [ 0.0000264500000000, -0.0000933900000000, 0.0000656700000000 ] - [ 0.0000251700000000, -0.0002821200000000, 0.0001310000000000 ] - [ 0.0000687300000000, 0.0003016000000000, -0.0000241100000000 ] - [ -0.0000350600000000, -0.0000344700000000, -0.0000871500000000 ] - [ 0.0000427500000000, -0.0001076700000000, -0.0000800100000000 ] - [ 0.0000315800000000, -0.0001194700000000, -0.0000369200000000 ] - [ -0.0001036300000000, 0.0001981800000000, -0.0000192800000000 ] - [ 0.0000904900000000, -0.0001219000000000, 0.0000269400000000 ]- atom: 71 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ 0.0011166900000000, 0.0005076000000000, -0.0004605300000000 ] - [ -0.0000264700000000, 0.0001397000000000, 0.0001157200000000 ] - [ -0.0000516000000000, -0.0001780300000000, -0.0008780100000000 ] - [ -0.0000742500000000, 0.0000305600000000, -0.0000982800000000 ] - [ -0.0008005100000000, 0.0014690000000000, -0.0008751200000000 ] - [ -0.0001787400000000, -0.0002654400000000, 0.0000538900000000 ] - [ -0.0011941600000000, 0.0000851700000000, 0.0015770100000000 ] - [ -0.0000288000000000, 0.0000273200000000, -0.0000168000000000 ] - [ 0.0004319600000000, -0.0000244200000000, -0.0002196800000000 ] - [ 0.0004281300000000, 0.0002805200000000, -0.0001636600000000 ] - [ -0.0003804400000000, -0.0017816200000000, -0.0008355000000000 ] - [ 0.0002085000000000, -0.0000839700000000, 0.0000500200000000 ] - [ 0.0000441800000000, 0.0003757600000000, -0.0002137100000000 ] - [ 0.0000429500000000, 0.0000661700000000, -0.0001554800000000 ] - [ -0.0012199700000000, -0.0000124400000000, 0.0016859000000000 ] - [ -0.0000460500000000, 0.0000435600000000, 0.0000925000000000 ] - [ 0.0019724800000000, -0.0040187900000000, 0.0041509300000000 ] - [ 0.0000992900000000, -0.0002217800000000, -0.0000830900000000 ] - [ 0.0017139900000000, 0.0035650900000000, 0.0043059000000000 ] - [ -0.0000395600000000, -0.0000775200000000, 0.0002050000000000 ] - [ 0.0012485900000000, -0.0002031600000000, -0.0007551300000000 ] - [ 0.0001138700000000, 0.0001582400000000, -0.0001754500000000 ] - [ -0.0000343300000000, 0.0001082600000000, -0.0009889300000000 ] - [ -0.0000562200000000, -0.0001023500000000, -0.0002089600000000 ] - [ -0.0001659800000000, 0.0003507000000000, 0.0000485100000000 ] - [ -0.0005976100000000, -0.0004312800000000, -0.0001118300000000 ] - [ 0.0003954100000000, -0.0009972900000000, -0.0011984400000000 ] - [ 0.0000414900000000, 0.0000244700000000, -0.0000048300000000 ] - [ -0.0003214000000000, -0.0003197500000000, 0.0002982300000000 ] - [ -0.0002331600000000, -0.0001339400000000, 0.0000577300000000 ] - [ 0.0001142400000000, 0.0001190100000000, 0.0004071200000000 ] - [ 0.0001048100000000, -0.0000335300000000, 0.0003879200000000 ] - [ -0.0008200200000000, 0.0001121700000000, -0.0013438400000000 ] - [ 0.0001612500000000, 0.0001780900000000, -0.0000367800000000 ] - [ 0.0000663400000000, -0.0000274800000000, 0.0002951600000000 ] - [ 0.0001523800000000, -0.0002139800000000, 0.0000498500000000 ] - [ -0.0012118100000000, 0.0002377300000000, -0.0013373900000000 ] - [ -0.0002256700000000, 0.0001692000000000, -0.0000300400000000 ] - [ 0.0001022500000000, -0.0000489800000000, 0.0005116300000000 ] - [ 0.0000894800000000, 0.0001077700000000, 0.0004944800000000 ] - [ -0.0001827200000000, -0.0002039100000000, -0.0000776100000000 ] - [ 0.0000406100000000, -0.0001351000000000, -0.0001144300000000 ] - [ -0.0003193000000000, -0.0000963700000000, 0.0002114600000000 ] - [ -0.0000978400000000, -0.0001654700000000, 0.0001750000000000 ] - [ -0.0000277700000000, -0.0000507800000000, -0.0002425700000000 ] - [ -0.0004593900000000, 0.0007326000000000, -0.0004027900000000 ] - [ 0.0004212500000000, 0.0009173600000000, -0.0013057800000000 ] - [ 0.0000603600000000, -0.0000966500000000, -0.0001149900000000 ] - [ 0.0043564900000000, 0.0012775800000000, 0.0008417700000000 ] - [ 0.0000626900000000, 0.0000642300000000, -0.0001111600000000 ] - [ -0.0005002800000000, -0.0002182500000000, 0.0003246400000000 ] - [ -0.0000704800000000, -0.0000476900000000, 0.0001563500000000 ] - [ -0.0004362000000000, 0.0000818200000000, 0.0001478500000000 ] - [ -0.0000080300000000, -0.0000855300000000, -0.0000218300000000 ] - [ 0.0042925400000000, -0.0011346300000000, 0.0010374400000000 ] - [ 0.0000004000000000, 0.0000696000000000, 0.0000678100000000 ] - [ -0.0000185300000000, 0.0000093200000000, -0.0002679500000000 ] - [ 0.0000574100000000, 0.0000816600000000, -0.0001701500000000 ] - [ 0.0007108200000000, 0.0005141100000000, 0.0020759300000000 ] - [ -0.0000510200000000, -0.0001358100000000, 0.0001083800000000 ] - [ 0.0007670500000000, -0.0006496800000000, 0.0018957700000000 ] - [ 0.0000116500000000, 0.0000019300000000, -0.0000696900000000 ] - [ -0.0000825400000000, 0.0001239300000000, -0.0000865300000000 ] - [ -0.0000063200000000, 0.0000517300000000, 0.0000108000000000 ] - [ -0.0000272800000000, 0.0000064900000000, 0.0000409200000000 ] - [ -0.0003191200000000, 0.0000072200000000, 0.0001875400000000 ] - [ 0.0003185200000000, 0.0003665600000000, -0.0005627400000000 ] - [ -0.0000069600000000, 0.0000108300000000, 0.0000484600000000 ] - [ -0.0001580500000000, 0.0001775100000000, 0.0005503100000000 ] - [ -0.0000360300000000, -0.0000225300000000, 0.0001130800000000 ] - [ -0.0100425900000000, 0.0000825300000000, -0.0232653200000000 ] - [ -0.0000215100000000, -0.0000100900000000, -0.0000378600000000 ] - [ -0.0001606100000000, 0.0001817200000000, -0.0003300600000000 ] - [ -0.0000178000000000, 0.0001788600000000, -0.0000975200000000 ] - [ -0.0006083600000000, -0.0009481200000000, 0.0053415500000000 ] - [ -0.0000058000000000, -0.0000844300000000, -0.0000772600000000 ] - [ 0.0000368900000000, -0.0000561200000000, -0.0013031300000000 ] - [ -0.0000323400000000, -0.0000746700000000, -0.0000514000000000 ] - [ -0.0006197200000000, 0.0007682400000000, 0.0056152300000000 ] - [ -0.0000106200000000, -0.0001065900000000, 0.0000809700000000 ] - [ -0.0000281800000000, 0.0000099300000000, 0.0002189700000000 ] - [ -0.0000036600000000, 0.0000103600000000, 0.0000210600000000 ] - [ -0.0001259600000000, 0.0001647200000000, -0.0001722600000000 ] - [ 0.0000170400000000, 0.0001670100000000, 0.0000582300000000 ] - [ -0.0006412900000000, 0.0000739700000000, 0.0008142900000000 ] - [ -0.0000179000000000, 0.0000737100000000, 0.0000157200000000 ] - [ 0.0005278400000000, 0.0003079400000000, 0.0021834500000000 ] - [ -0.0000129300000000, -0.0002216500000000, -0.0000624100000000 ] - [ 0.0003704600000000, -0.0003052900000000, -0.0007459400000000 ] - [ 0.0000452900000000, 0.0000508200000000, -0.0001329000000000 ] - [ 0.0000070500000000, 0.0000633700000000, -0.0000085100000000 ] - [ -0.0004020700000000, -0.0004731600000000, -0.0000803300000000 ] - [ 0.0000849600000000, -0.0000221900000000, -0.0009827000000000 ] - [ -0.0000164700000000, -0.0000051800000000, -0.0000256100000000 ] - [ -0.0005362700000000, 0.0005386500000000, 0.0002109300000000 ] - [ -0.0000359100000000, 0.0000442200000000, 0.0000728000000000 ] - [ 0.0005613100000000, -0.0006506800000000, 0.0023418500000000 ] - [ 0.0000220300000000, -0.0001236500000000, 0.0000934900000000 ] - [ -0.0005320700000000, -0.0003492800000000, 0.0000516800000000 ] - [ -0.0000310400000000, 0.0001471900000000, -0.0000859000000000 ] - [ -0.0001050600000000, -0.0002400700000000, 0.0003707500000000 ] - [ 0.0000162900000000, -0.0000389200000000, -0.0000681300000000 ] - [ 0.0000074400000000, -0.0000632100000000, -0.0000090700000000 ] - [ -0.0004042000000000, 0.0004748300000000, -0.0000821200000000 ] - [ 0.0003982300000000, 0.0000067500000000, 0.0004017000000000 ] - [ 0.0000196100000000, 0.0000068900000000, 0.0000179000000000 ] - [ -0.0000107600000000, 0.0001051400000000, -0.0002413100000000 ] - [ -0.0000108000000000, 0.0000413300000000, 0.0000519700000000 ] - [ -0.0000764500000000, -0.0001084600000000, 0.0001594800000000 ] - [ -0.0000388700000000, 0.0002247200000000, 0.0002816300000000 ] - [ 0.0000009500000000, -0.0000104400000000, -0.0000279500000000 ] - [ 0.0000055900000000, -0.0000103700000000, -0.0000267400000000 ] - [ -0.0000027300000000, 0.0000321300000000, -0.0001248600000000 ] - [ 0.0000416100000000, 0.0005256700000000, -0.0002212200000000 ] - [ 0.0000349600000000, -0.0000835800000000, -0.0000545300000000 ] - [ 0.0001223200000000, -0.0001815100000000, -0.0000881300000000 ] - [ 0.0003228600000000, -0.0000734600000000, -0.0001950700000000 ] - [ 0.0000088000000000, -0.0000734400000000, -0.0000211200000000 ] - [ 0.0000299600000000, -0.0001077500000000, 0.0001034300000000 ] - [ 0.0001177900000000, -0.0000096600000000, 0.0000699000000000 ] - [ 0.0004234400000000, 0.0000093300000000, 0.0005244900000000 ] - [ 0.0000305100000000, 0.0000103500000000, 0.0000472800000000 ] - [ 0.0000318300000000, 0.0003139600000000, 0.0000317700000000 ] - [ 0.0000755100000000, -0.0001779100000000, -0.0000638000000000 ] - [ 0.0001044000000000, 0.0000733400000000, 0.0001033600000000 ] - [ 0.0001651500000000, 0.0000736300000000, 0.0002486200000000 ] - [ -0.0000219200000000, -0.0001349000000000, 0.0001348800000000 ] - [ -0.0000235200000000, -0.0001570600000000, -0.0000407100000000 ] - [ 0.0000419300000000, -0.0000431300000000, -0.0004226900000000 ] - [ 0.0000416400000000, 0.0000208800000000, -0.0001297400000000 ] - [ 0.0003525200000000, 0.0002831100000000, 0.0001842700000000 ] - [ 0.0000132800000000, 0.0000020400000000, 0.0000117200000000 ] - [ 0.0003671100000000, -0.0000065600000000, -0.0002234400000000 ] - [ 0.0000157900000000, -0.0000066600000000, -0.0000126300000000 ] - [ 0.0002501500000000, -0.0000797700000000, 0.0000490600000000 ] - [ 0.0000076600000000, 0.0001089100000000, 0.0000748000000000 ] - [ 0.0000119200000000, -0.0002106700000000, 0.0002894500000000 ] - [ 0.0000103500000000, -0.0001885100000000, 0.0001151300000000 ] - [ 0.0002553600000000, 0.0002706000000000, -0.0001097800000000 ] - [ 0.0000125800000000, 0.0000821800000000, -0.0000837200000000 ] - [ -0.0000243600000000, 0.0000461900000000, -0.0000219100000000 ] - [ 0.0000128400000000, -0.0002852500000000, 0.0000991900000000 ] - [ 0.0003517400000000, -0.0002834700000000, 0.0001838800000000 ] - [ 0.0000133300000000, -0.0000017700000000, 0.0000115300000000 ]- atom: 73 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ 0.0051317500000000, -0.0010024700000000, 0.0083327000000000 ] - [ -0.0000496100000000, 0.0001563700000000, 0.0001537000000000 ] - [ 0.0006076800000000, -0.0001527300000000, 0.0001546100000000 ] - [ 0.0000015000000000, -0.0000356700000000, 0.0000828700000000 ] - [ -0.0000548200000000, -0.0000534600000000, 0.0000846100000000 ] - [ -0.0001865500000000, -0.0001286200000000, -0.0000230400000000 ] - [ -0.0011151400000000, 0.0003187600000000, 0.0001205700000000 ] - [ -0.0000249300000000, 0.0000309900000000, -0.0000363700000000 ] - [ 0.0000505100000000, 0.0002929600000000, -0.0003025100000000 ] - [ 0.0001681500000000, 0.0001418400000000, -0.0000970300000000 ] - [ -0.0002221600000000, -0.0004442900000000, 0.0002211500000000 ] - [ 0.0001446300000000, -0.0001428400000000, 0.0000189500000000 ] - [ 0.0002232200000000, 0.0008802600000000, 0.0003601600000000 ] - [ -0.0001347500000000, 0.0000945500000000, 0.0000924000000000 ] - [ 0.0022646900000000, -0.0000170800000000, -0.0001340800000000 ] - [ 0.0000284600000000, 0.0000326400000000, 0.0000322800000000 ] - [ -0.0008014900000000, -0.0000974800000000, 0.0001043400000000 ] - [ 0.0000526900000000, -0.0001413100000000, -0.0001295200000000 ] - [ 0.0000685100000000, -0.0003431500000000, 0.0004485200000000 ] - [ -0.0000715300000000, -0.0001408400000000, 0.0001371200000000 ] - [ -0.0002940600000000, 0.0001534400000000, -0.0006140800000000 ] - [ 0.0000551400000000, 0.0001622300000000, -0.0001609600000000 ] - [ -0.0000695100000000, -0.0000345200000000, -0.0001577200000000 ] - [ 0.0000059400000000, -0.0000445000000000, -0.0000899600000000 ] - [ -0.0001537000000000, 0.0001334700000000, 0.0001755200000000 ] - [ -0.0002296500000000, 0.0001779000000000, 0.0002198400000000 ] - [ -0.0002588400000000, -0.0004732300000000, -0.0002151300000000 ] - [ -0.0000684700000000, 0.0000203800000000, 0.0000436500000000 ] - [ -0.0006291800000000, -0.0005929000000000, -0.0007158000000000 ] - [ -0.0001932400000000, -0.0001154600000000, -0.0000421400000000 ] - [ 0.0003740500000000, 0.0005523200000000, 0.0000324800000000 ] - [ 0.0000761300000000, -0.0000848200000000, -0.0001125300000000 ] - [ 0.0002514400000000, 0.0002372200000000, -0.0002725700000000 ] - [ 0.0002132700000000, 0.0001934500000000, -0.0000041200000000 ] - [ 0.0048912600000000, 0.0022002000000000, 0.0013500000000000 ] - [ 0.0002072600000000, -0.0001363700000000, 0.0000442800000000 ] - [ -0.0007836000000000, 0.0004332800000000, 0.0001094300000000 ] - [ -0.0002137400000000, 0.0001820600000000, 0.0000105500000000 ] - [ -0.0001852600000000, 0.0000183900000000, 0.0000586800000000 ] - [ -0.0001104300000000, 0.0000608200000000, 0.0000780700000000 ] - [ 0.0006020200000000, 0.0010615500000000, 0.0000591000000000 ] - [ -0.0000422500000000, -0.0001711500000000, -0.0001258800000000 ] - [ -0.0003542100000000, 0.0001956900000000, -0.0001095000000000 ] - [ -0.0000913400000000, -0.0002021100000000, 0.0000716400000000 ] - [ 0.0001419400000000, 0.0001738400000000, -0.0001345200000000 ] - [ 0.0001505200000000, 0.0001543800000000, -0.0001574400000000 ] - [ 0.0001750300000000, -0.0002328800000000, -0.0002134000000000 ] - [ 0.0000246900000000, 0.0000112700000000, -0.0000579700000000 ] - [ 0.0008502200000000, 0.0001191500000000, -0.0003203400000000 ] - [ 0.0000635000000000, 0.0000566500000000, -0.0001094600000000 ] - [ -0.0027506100000000, -0.0016863100000000, -0.0015599500000000 ] - [ -0.0000540700000000, -0.0000695300000000, 0.0000482800000000 ] - [ 0.0002985600000000, -0.0002067500000000, 0.0003631500000000 ] - [ 0.0000371400000000, -0.0000792100000000, -0.0000428300000000 ] - [ -0.0010370800000000, 0.0001092900000000, 0.0003614400000000 ] - [ -0.0000560600000000, 0.0000494600000000, 0.0001105200000000 ] - [ -0.0014070000000000, 0.0009955100000000, -0.0004476900000000 ] - [ -0.0002932600000000, -0.0001451500000000, -0.0001430800000000 ] - [ 0.0004205300000000, 0.0000400800000000, 0.0000867100000000 ] - [ 0.0000162300000000, -0.0000712500000000, 0.0000651500000000 ] - [ -0.0001233700000000, -0.0000623400000000, 0.0000474800000000 ] - [ 0.0000156700000000, -0.0001065700000000, -0.0000824800000000 ] - [ 0.0002020900000000, 0.0002816600000000, 0.0002064300000000 ] - [ 0.0001338600000000, -0.0001136400000000, 0.0001382200000000 ] - [ 0.0000105500000000, -0.0000536200000000, 0.0000310000000000 ] - [ -0.0000247100000000, 0.0000712600000000, 0.0000046700000000 ] - [ -0.0003205400000000, -0.0012170200000000, -0.0011909900000000 ] - [ -0.0000349700000000, 0.0000329700000000, 0.0000950000000000 ] - [ -0.0004078000000000, 0.0001549800000000, 0.0004824500000000 ] - [ -0.0000298000000000, -0.0000378900000000, 0.0000858200000000 ] - [ 0.0000667300000000, 0.0000046500000000, -0.0001293500000000 ] - [ 0.0000007000000000, -0.0000152300000000, 0.0000001500000000 ] - [ -0.0134039700000000, -0.0032185600000000, -0.0101516400000000 ] - [ -0.0000257400000000, 0.0001757200000000, -0.0000846300000000 ] - [ -0.0000482600000000, -0.0000841700000000, -0.0000457000000000 ] - [ 0.0000086800000000, -0.0001062200000000, -0.0000755900000000 ] - [ 0.0000374000000000, -0.0001196600000000, -0.0000923800000000 ] - [ 0.0000063600000000, -0.0000738800000000, -0.0000040400000000 ] - [ 0.0011519700000000, 0.0002101300000000, 0.0003399900000000 ] - [ 0.0000035800000000, -0.0001197800000000, 0.0000746800000000 ] - [ 0.0005431100000000, -0.0006214700000000, 0.0007301200000000 ] - [ 0.0000009500000000, 0.0000152100000000, 0.0000041400000000 ] - [ 0.0001658900000000, 0.0001712400000000, 0.0002818100000000 ] - [ 0.0000201500000000, 0.0001716200000000, 0.0000840000000000 ] - [ 0.0002142700000000, 0.0003737900000000, 0.0003718800000000 ] - [ 0.0000010600000000, 0.0000582000000000, 0.0000011200000000 ] - [ -0.0000329800000000, -0.0001643700000000, -0.0000353500000000 ] - [ -0.0000152200000000, -0.0001696400000000, -0.0000774600000000 ] - [ 0.0002342900000000, 0.0000792700000000, -0.0001285800000000 ] - [ 0.0000357200000000, 0.0000245400000000, -0.0001016100000000 ] - [ 0.0000090500000000, -0.0000021200000000, 0.0000200800000000 ] - [ 0.0000173400000000, 0.0000208400000000, 0.0000325300000000 ] - [ -0.0000007700000000, 0.0000226800000000, -0.0000241400000000 ] - [ 0.0000116200000000, -0.0000157200000000, -0.0000078300000000 ] - [ 0.0000076900000000, 0.0000836700000000, 0.0001408400000000 ] - [ 0.0000079900000000, 0.0000877500000000, 0.0000854500000000 ] - [ 0.0001761500000000, -0.0001914300000000, 0.0001114100000000 ] - [ 0.0000165400000000, -0.0001699800000000, 0.0000749100000000 ] - [ 0.0005972500000000, -0.0009954500000000, -0.0000175200000000 ] - [ -0.0000144900000000, 0.0001099000000000, -0.0000794300000000 ] - [ 0.0000965000000000, -0.0000846300000000, -0.0000219600000000 ] - [ 0.0000291900000000, -0.0000392500000000, -0.0000843900000000 ] - [ -0.0000074000000000, -0.0001227900000000, -0.0000016400000000 ] - [ -0.0000455000000000, 0.0001041900000000, -0.0000387800000000 ] - [ -0.0000489900000000, 0.0000159900000000, -0.0000384600000000 ] - [ -0.0000005900000000, 0.0000040200000000, -0.0000012700000000 ] - [ 0.0000991400000000, -0.0000134500000000, 0.0000687600000000 ] - [ -0.0000108800000000, 0.0000316600000000, 0.0000773600000000 ] - [ -0.0000031500000000, -0.0000356400000000, 0.0000917700000000 ] - [ 0.0000020500000000, 0.0000303200000000, 0.0001137500000000 ] - [ 0.0000175300000000, 0.0001188500000000, 0.0000673200000000 ] - [ -0.0000069300000000, -0.0000986000000000, 0.0000136900000000 ] - [ 0.0000049700000000, 0.0001754900000000, -0.0000929100000000 ] - [ 0.0000049500000000, 0.0001908000000000, -0.0001043100000000 ] - [ -0.0000204500000000, -0.0000731100000000, -0.0000337000000000 ] - [ -0.0000078600000000, -0.0001176800000000, -0.0000501700000000 ] - [ 0.0008298100000000, -0.0008272700000000, 0.0009133600000000 ] - [ 0.0000122100000000, -0.0000498100000000, 0.0000147500000000 ] - [ 0.0000612600000000, 0.0000233100000000, -0.0000741500000000 ] - [ 0.0000110200000000, -0.0001308400000000, 0.0000379100000000 ] - [ 0.0000029400000000, 0.0000012600000000, -0.0000044600000000 ] - [ -0.0000020600000000, 0.0000026400000000, -0.0000081100000000 ] - [ 0.0000349600000000, 0.0001037400000000, 0.0000434000000000 ] - [ 0.0000349700000000, 0.0001900300000000, 0.0000410100000000 ] - [ -0.0000340100000000, 0.0000536800000000, 0.0000146100000000 ] - [ 0.0000047400000000, 0.0000838800000000, 0.0000089900000000 ] - [ 0.0000266900000000, -0.0001355300000000, 0.0000425900000000 ] - [ -0.0000017000000000, -0.0001774500000000, -0.0000384100000000 ] - [ -0.0001390300000000, 0.0015568700000000, -0.0009382300000000 ] - [ -0.0000050500000000, 0.0000103100000000, -0.0000715200000000 ] - [ 0.0000062900000000, 0.0000103500000000, 0.0000811400000000 ] - [ -0.0000079700000000, -0.0000086900000000, 0.0000059600000000 ] - [ 0.0029532300000000, 0.0017781100000000, 0.0028158200000000 ] - [ -0.0000012600000000, -0.0000174900000000, -0.0000005700000000 ] - [ -0.0000653300000000, 0.0000690300000000, 0.0001521300000000 ] - [ -0.0000209900000000, 0.0000937300000000, 0.0000894800000000 ] - [ -0.0002281000000000, -0.0000374900000000, -0.0000797700000000 ] - [ -0.0000058600000000, -0.0001965800000000, 0.0000091600000000 ] - [ 0.0001455500000000, 0.0000083600000000, -0.0001850400000000 ] - [ 0.0000225200000000, 0.0001064500000000, -0.0000840300000000 ] - [ 0.0000034900000000, -0.0000534400000000, -0.0000714100000000 ] - [ 0.0000096200000000, -0.0000010000000000, -0.0000844100000000 ] - [ 0.0013709900000000, 0.0005766800000000, -0.0008076900000000 ] - [ 0.0000043400000000, -0.0000046800000000, -0.0000058500000000 ]- atom: 73 displacement: [ -0.0099999986220908, 0.0000000000000000, 0.0000052495887392 ] forces: - [ -0.0052855200000000, 0.0012817100000000, -0.0079581200000000 ] - [ -0.0000919800000000, 0.0001356000000000, 0.0001343700000000 ] - [ -0.0006269600000000, 0.0000803900000000, -0.0000457300000000 ] - [ -0.0000080600000000, -0.0000398600000000, 0.0000223400000000 ] - [ -0.0003336100000000, -0.0003001000000000, -0.0000918300000000 ] - [ -0.0002077800000000, -0.0002283500000000, 0.0000153300000000 ] - [ 0.0011285700000000, -0.0002440000000000, -0.0002269700000000 ] - [ 0.0000347800000000, 0.0000428700000000, -0.0000694800000000 ] - [ 0.0003447800000000, 0.0000607000000000, 0.0003089800000000 ] - [ 0.0002256900000000, 0.0002137400000000, 0.0001057200000000 ] - [ 0.0006147900000000, 0.0000891700000000, -0.0002175500000000 ] - [ 0.0002485200000000, -0.0002132800000000, -0.0000117300000000 ] - [ -0.0006115800000000, -0.0005249900000000, -0.0003657300000000 ] - [ -0.0002580900000000, 0.0002612600000000, -0.0000971600000000 ] - [ -0.0022681500000000, 0.0000942500000000, 0.0002666000000000 ] - [ -0.0000364000000000, 0.0000411700000000, 0.0000733800000000 ] - [ 0.0009411100000000, -0.0001951800000000, -0.0003899100000000 ] - [ 0.0000871000000000, -0.0001493700000000, -0.0001573100000000 ] - [ -0.0002078200000000, 0.0000514100000000, -0.0001614900000000 ] - [ -0.0000692200000000, -0.0001503400000000, 0.0001508800000000 ] - [ 0.0004351800000000, 0.0001396200000000, 0.0003244000000000 ] - [ 0.0000859200000000, 0.0001293400000000, -0.0001267000000000 ] - [ 0.0000789900000000, -0.0000399800000000, 0.0000495800000000 ] - [ 0.0000052500000000, -0.0000285500000000, -0.0000172700000000 ] - [ 0.0000112200000000, 0.0001576600000000, 0.0001125400000000 ] - [ 0.0000870800000000, 0.0001155500000000, 0.0000675300000000 ] - [ 0.0002433400000000, 0.0003971600000000, 0.0003191700000000 ] - [ 0.0000566800000000, -0.0000949000000000, 0.0000607500000000 ] - [ 0.0002352800000000, 0.0002408000000000, 0.0007135900000000 ] - [ -0.0002024400000000, -0.0002418900000000, 0.0000377400000000 ] - [ -0.0003594700000000, -0.0004808000000000, -0.0001327500000000 ] - [ -0.0000644900000000, 0.0001599200000000, 0.0000101900000000 ] - [ 0.0001465900000000, 0.0001192000000000, 0.0002750100000000 ] - [ 0.0001833700000000, 0.0001611600000000, 0.0000100200000000 ] - [ -0.0045001100000000, -0.0026270800000000, -0.0013459000000000 ] - [ 0.0001876400000000, -0.0002224900000000, -0.0000364100000000 ] - [ 0.0003876100000000, -0.0000798400000000, -0.0001191500000000 ] - [ -0.0001840500000000, 0.0001743000000000, -0.0000174800000000 ] - [ 0.0001724300000000, 0.0000560100000000, 0.0000490100000000 ] - [ 0.0000994500000000, 0.0000135300000000, 0.0000260600000000 ] - [ -0.0004616200000000, -0.0013523000000000, -0.0003477500000000 ] - [ 0.0001838200000000, -0.0001219700000000, -0.0001619500000000 ] - [ 0.0002116500000000, -0.0004880200000000, 0.0003970600000000 ] - [ -0.0000507800000000, -0.0000907100000000, 0.0002126300000000 ] - [ 0.0000011600000000, 0.0001148500000000, -0.0001526900000000 ] - [ -0.0000077000000000, 0.0001378600000000, -0.0001321500000000 ] - [ -0.0001608600000000, 0.0001595200000000, 0.0001091200000000 ] - [ -0.0000132900000000, -0.0000872800000000, -0.0000465300000000 ] - [ -0.0007861400000000, 0.0000147100000000, 0.0001398600000000 ] - [ 0.0000001900000000, 0.0000774900000000, -0.0000695800000000 ] - [ 0.0026786800000000, 0.0015581200000000, 0.0017247600000000 ] - [ -0.0000093200000000, -0.0000643000000000, 0.0001304100000000 ] - [ -0.0002353700000000, 0.0000736600000000, -0.0005442900000000 ] - [ 0.0000265300000000, -0.0000547200000000, -0.0001359200000000 ] - [ 0.0009675000000000, 0.0000233100000000, -0.0001796700000000 ] - [ -0.0000070500000000, 0.0000852100000000, 0.0000676700000000 ] - [ 0.0014709100000000, -0.0008611100000000, 0.0002668000000000 ] - [ 0.0003576400000000, 0.0002791000000000, -0.0000364700000000 ] - [ -0.0004826800000000, -0.0001709800000000, 0.0000932900000000 ] - [ -0.0000790100000000, -0.0000620500000000, 0.0001135300000000 ] - [ 0.0001859100000000, -0.0000723900000000, -0.0002247600000000 ] - [ 0.0000476100000000, -0.0000268000000000, -0.0000959000000000 ] - [ -0.0002662700000000, -0.0001505200000000, -0.0000274600000000 ] - [ -0.0001978800000000, 0.0002490900000000, 0.0000401000000000 ] - [ -0.0000104300000000, 0.0000666600000000, -0.0000311000000000 ] - [ 0.0000245000000000, -0.0000572900000000, -0.0000044200000000 ] - [ 0.0002552900000000, 0.0012825000000000, 0.0013763900000000 ] - [ -0.0000180200000000, 0.0000278900000000, 0.0000851600000000 ] - [ 0.0003520400000000, -0.0002152500000000, -0.0003018000000000 ] - [ -0.0000233800000000, -0.0000228400000000, 0.0000945800000000 ] - [ -0.0000675900000000, -0.0000249600000000, 0.0001290600000000 ] - [ -0.0000009000000000, -0.0000043300000000, 0.0000007800000000 ] - [ 0.0134741200000000, 0.0036916400000000, 0.0099384400000000 ] - [ -0.0000064500000000, 0.0001720700000000, -0.0000707700000000 ] - [ 0.0000558100000000, -0.0001072100000000, -0.0001107200000000 ] - [ -0.0000005600000000, -0.0000853700000000, -0.0000817600000000 ] - [ -0.0000379600000000, -0.0000273900000000, 0.0000906600000000 ] - [ -0.0000062200000000, -0.0000723500000000, 0.0000031500000000 ] - [ -0.0011433800000000, -0.0003992200000000, -0.0001753500000000 ] - [ -0.0000115200000000, -0.0000720200000000, 0.0000822200000000 ] - [ -0.0005441500000000, 0.0006427800000000, -0.0007339500000000 ] - [ -0.0000011000000000, 0.0000045500000000, -0.0000055600000000 ] - [ -0.0001338600000000, 0.0001770400000000, -0.0001264700000000 ] - [ 0.0000121600000000, 0.0001766500000000, 0.0000716800000000 ] - [ -0.0002140300000000, -0.0002261700000000, -0.0003700600000000 ] - [ -0.0000011000000000, 0.0000886800000000, -0.0000003200000000 ] - [ 0.0000008500000000, -0.0001830200000000, -0.0001193400000000 ] - [ -0.0000171100000000, -0.0001779700000000, -0.0000780800000000 ] - [ -0.0001817100000000, -0.0000188900000000, -0.0000518200000000 ] - [ 0.0000174900000000, 0.0000361500000000, -0.0000785600000000 ] - [ -0.0000093100000000, 0.0000017700000000, -0.0000198800000000 ] - [ -0.0000174800000000, -0.0000212400000000, -0.0000323700000000 ] - [ 0.0000007100000000, -0.0000364000000000, 0.0000239600000000 ] - [ -0.0000116100000000, 0.0000016000000000, 0.0000075200000000 ] - [ -0.0000172900000000, 0.0001084700000000, 0.0000165600000000 ] - [ -0.0000167700000000, 0.0001037500000000, 0.0000717100000000 ] - [ -0.0001447800000000, -0.0001570600000000, 0.0000444300000000 ] - [ 0.0000157100000000, -0.0001776800000000, 0.0000800200000000 ] - [ -0.0005799000000000, 0.0011743900000000, -0.0001351700000000 ] - [ 0.0000230200000000, 0.0000820200000000, -0.0000779200000000 ] - [ -0.0000436400000000, 0.0000234700000000, -0.0001574100000000 ] - [ 0.0000239900000000, -0.0000216500000000, -0.0000962300000000 ] - [ 0.0000075200000000, 0.0001220800000000, 0.0000014600000000 ] - [ 0.0000454300000000, -0.0001039100000000, 0.0000379400000000 ] - [ 0.0000491700000000, -0.0000033100000000, 0.0000392300000000 ] - [ 0.0000006500000000, 0.0000098600000000, 0.0000012900000000 ] - [ -0.0001530100000000, 0.0000746800000000, 0.0001110000000000 ] - [ -0.0000425900000000, 0.0000290600000000, 0.0001028200000000 ] - [ -0.0000498700000000, -0.0000256500000000, 0.0000881900000000 ] - [ -0.0000553100000000, -0.0000909100000000, 0.0000661200000000 ] - [ -0.0000174000000000, -0.0001387700000000, -0.0000661500000000 ] - [ 0.0000066600000000, 0.0000791900000000, -0.0000126200000000 ] - [ -0.0000378900000000, 0.0001717500000000, -0.0000626500000000 ] - [ -0.0000378400000000, 0.0001571900000000, -0.0000508800000000 ] - [ 0.0000292400000000, -0.0001193700000000, -0.0001234200000000 ] - [ 0.0000161500000000, -0.0000743200000000, -0.0001071700000000 ] - [ -0.0008409100000000, 0.0006925900000000, -0.0009309700000000 ] - [ -0.0000122800000000, -0.0000970900000000, -0.0000157300000000 ] - [ -0.0000673500000000, -0.0002132900000000, 0.0002289500000000 ] - [ -0.0000188400000000, -0.0000606900000000, 0.0001193600000000 ] - [ -0.0000023900000000, 0.0000187400000000, 0.0000040300000000 ] - [ 0.0000025500000000, 0.0000173600000000, 0.0000070300000000 ] - [ -0.0000020900000000, 0.0002456400000000, 0.0001127800000000 ] - [ -0.0000018300000000, 0.0001571000000000, 0.0001147200000000 ] - [ 0.0000338700000000, 0.0000931700000000, -0.0000133900000000 ] - [ -0.0000047300000000, 0.0000634400000000, -0.0000080700000000 ] - [ -0.0000601100000000, -0.0002120600000000, -0.0001981500000000 ] - [ -0.0000307100000000, -0.0001704700000000, -0.0001168600000000 ] - [ 0.0001832200000000, -0.0014992200000000, 0.0007583500000000 ] - [ 0.0000588100000000, 0.0000506300000000, -0.0001087700000000 ] - [ -0.0000050400000000, -0.0000083500000000, -0.0000779200000000 ] - [ 0.0000083300000000, 0.0000088900000000, -0.0000060300000000 ] - [ -0.0029965800000000, -0.0018261200000000, -0.0028700700000000 ] - [ 0.0000010300000000, 0.0000042300000000, 0.0000004500000000 ] - [ 0.0000575900000000, 0.0001208500000000, 0.0000065100000000 ] - [ 0.0000125500000000, 0.0000987700000000, 0.0000674900000000 ] - [ 0.0002604300000000, -0.0003133100000000, 0.0002323600000000 ] - [ 0.0000382600000000, -0.0001513400000000, 0.0001459500000000 ] - [ -0.0001368200000000, 0.0001846800000000, 0.0000278900000000 ] - [ -0.0000146500000000, 0.0000852100000000, -0.0000729900000000 ] - [ 0.0000498300000000, -0.0000072000000000, -0.0001087500000000 ] - [ 0.0000437900000000, -0.0000601200000000, -0.0000953500000000 ] - [ -0.0014071100000000, -0.0005933500000000, 0.0008241700000000 ] - [ -0.0000044300000000, 0.0000046800000000, 0.0000060100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014972100000000, 0.0053301600000000, -0.0064359600000000 ] - [ -0.0001892300000000, -0.0004089100000000, 0.0000768700000000 ] - [ -0.0010899400000000, 0.0006126300000000, 0.0009257200000000 ] - [ 0.0001537600000000, -0.0004434500000000, -0.0000704800000000 ] - [ -0.0007345600000000, 0.0002078500000000, 0.0008369100000000 ] - [ -0.0001557700000000, -0.0006078900000000, -0.0000887300000000 ] - [ 0.0003791700000000, 0.0008791900000000, -0.0001547000000000 ] - [ 0.0000107700000000, -0.0003533100000000, -0.0001048800000000 ] - [ 0.0003350400000000, 0.0001387800000000, 0.0002591500000000 ] - [ 0.0001214400000000, 0.0000199700000000, 0.0000293600000000 ] - [ -0.0000178000000000, 0.0001724200000000, -0.0001586800000000 ] - [ 0.0003242100000000, -0.0005711700000000, -0.0000484700000000 ] - [ 0.0004089300000000, -0.0007639800000000, 0.0009513200000000 ] - [ -0.0004477400000000, -0.0006648100000000, -0.0003380500000000 ] - [ -0.0008604900000000, 0.0021706700000000, 0.0020712300000000 ] - [ -0.0000252100000000, -0.0004787900000000, 0.0000394800000000 ] - [ 0.0004145500000000, 0.0006707000000000, -0.0001904700000000 ] - [ -0.0000843300000000, -0.0005626400000000, -0.0001964900000000 ] - [ 0.0000472300000000, 0.0011466000000000, -0.0002754700000000 ] - [ -0.0000487800000000, -0.0006281200000000, 0.0001948700000000 ] - [ 0.0001122200000000, 0.0006492900000000, 0.0001301100000000 ] - [ 0.0001111000000000, -0.0001966600000000, -0.0001388300000000 ] - [ 0.0000495100000000, 0.0002596200000000, 0.0000064000000000 ] - [ 0.0000051600000000, -0.0002955300000000, 0.0000063300000000 ] - [ -0.0004438100000000, -0.0001663000000000, 0.0001788000000000 ] - [ 0.0001536200000000, 0.0001258700000000, 0.0000468200000000 ] - [ -0.0001015400000000, 0.0002458400000000, -0.0001275300000000 ] - [ 0.0001033800000000, -0.0003676300000000, 0.0002016000000000 ] - [ -0.0002823500000000, 0.0001407200000000, -0.0002478600000000 ] - [ -0.0001748900000000, -0.0005444300000000, 0.0001087600000000 ] - [ 0.0008788500000000, -0.0006861300000000, -0.0006636700000000 ] - [ -0.0006679000000000, -0.0011472700000000, -0.0003334500000000 ] - [ 0.0003072600000000, 0.0006736000000000, 0.0004252800000000 ] - [ 0.0001465200000000, -0.0002349600000000, -0.0000092800000000 ] - [ 0.0046821500000000, 0.0081920400000000, 0.0002188900000000 ] - [ 0.0004153100000000, -0.0008694600000000, -0.0000069500000000 ] - [ -0.0002621400000000, 0.0007901700000000, -0.0000856600000000 ] - [ -0.0001579200000000, -0.0002407800000000, 0.0000385400000000 ] - [ 0.0000698500000000, 0.0000617100000000, 0.0000040700000000 ] - [ -0.0000801500000000, -0.0001545200000000, 0.0000748900000000 ] - [ 0.0009214100000000, -0.0039086100000000, -0.0002555600000000 ] - [ -0.0004979100000000, -0.0010059000000000, -0.0003892600000000 ] - [ 0.0004278000000000, -0.0005270000000000, 0.0005485200000000 ] - [ -0.0002096500000000, -0.0003448800000000, -0.0000727600000000 ] - [ -0.0000596600000000, -0.0000813400000000, -0.0001650600000000 ] - [ 0.0002005800000000, 0.0001832300000000, 0.0001053800000000 ] - [ -0.0000737300000000, 0.0005307000000000, -0.0005294300000000 ] - [ 0.0000207300000000, -0.0004351100000000, 0.0001213900000000 ] - [ -0.0000781000000000, -0.0004914100000000, -0.0000539600000000 ] - [ 0.0000780800000000, 0.0004797700000000, -0.0000229600000000 ] - [ 0.0000975800000000, 0.0013434400000000, -0.0037975500000000 ] - [ -0.0000868200000000, 0.0005657000000000, 0.0002872200000000 ] - [ -0.0000845100000000, -0.0003936100000000, -0.0000817200000000 ] - [ 0.0000154800000000, 0.0002245800000000, -0.0001810100000000 ] - [ 0.0012469500000000, -0.0009975800000000, -0.0006695000000000 ] - [ -0.0000688200000000, 0.0005404400000000, 0.0000699600000000 ] - [ -0.0018216400000000, 0.0027809100000000, -0.0003459700000000 ] - [ 0.0004900200000000, 0.0013846300000000, 0.0002818100000000 ] - [ -0.0000705100000000, -0.0003387500000000, 0.0001684800000000 ] - [ 0.0000103700000000, 0.0003021600000000, 0.0001033000000000 ] - [ -0.0000406300000000, -0.0003781900000000, -0.0003302200000000 ] - [ 0.0000591000000000, 0.0003446900000000, -0.0001244000000000 ] - [ 0.0000364200000000, 0.0000210800000000, 0.0001006300000000 ] - [ -0.0002157700000000, 0.0004191200000000, -0.0000129900000000 ] - [ -0.0000942600000000, 0.0001542100000000, -0.0001432700000000 ] - [ 0.0001441400000000, -0.0000329000000000, 0.0001030200000000 ] - [ -0.0017581900000000, 0.0022476500000000, 0.0041209300000000 ] - [ -0.0000485100000000, 0.0003058900000000, -0.0000436100000000 ] - [ 0.0001506000000000, -0.0005844700000000, -0.0002402300000000 ] - [ 0.0000001600000000, 0.0001932300000000, 0.0001682200000000 ] - [ 0.0001017200000000, -0.0002582100000000, 0.0000408500000000 ] - [ 0.0000034700000000, 0.0001312400000000, 0.0000077800000000 ] - [ -0.0033883800000000, -0.0257877500000000, 0.0078715100000000 ] - [ -0.0000145400000000, 0.0004106900000000, -0.0001494400000000 ] - [ 0.0001305800000000, -0.0003375100000000, -0.0001167200000000 ] - [ -0.0000476700000000, 0.0000543300000000, -0.0000993000000000 ] - [ -0.0002200400000000, -0.0002728400000000, 0.0001143500000000 ] - [ 0.0000980700000000, 0.0001089800000000, -0.0000272400000000 ] - [ 0.0000729400000000, -0.0004714800000000, 0.0002462700000000 ] - [ 0.0000577400000000, 0.0001040100000000, 0.0000929900000000 ] - [ -0.0005617200000000, 0.0003107200000000, -0.0006738200000000 ] - [ 0.0000370300000000, 0.0001365500000000, 0.0000621700000000 ] - [ 0.0000196500000000, -0.0000351700000000, -0.0000062400000000 ] - [ 0.0000193300000000, 0.0002995200000000, 0.0001306200000000 ] - [ -0.0001347200000000, -0.0003927200000000, -0.0001944600000000 ] - [ 0.0000032100000000, 0.0002472400000000, 0.0000053000000000 ] - [ -0.0000263300000000, -0.0003828000000000, -0.0002955800000000 ] - [ -0.0000209300000000, 0.0000202700000000, -0.0000249000000000 ] - [ 0.0000234500000000, -0.0001247100000000, -0.0001565300000000 ] - [ 0.0000393300000000, 0.0001759700000000, -0.0000176800000000 ] - [ 0.0000075800000000, 0.0000312700000000, -0.0000098500000000 ] - [ 0.0000506500000000, 0.0000238700000000, -0.0000154300000000 ] - [ 0.0002604400000000, -0.0000148700000000, -0.0000156300000000 ] - [ -0.0001397900000000, 0.0001043000000000, 0.0000594300000000 ] - [ 0.0000432300000000, 0.0000055800000000, 0.0000392600000000 ] - [ -0.0000330900000000, 0.0002063900000000, 0.0000591900000000 ] - [ -0.0000006600000000, -0.0003283900000000, 0.0001095100000000 ] - [ 0.0000207700000000, -0.0000624000000000, 0.0000400600000000 ] - [ -0.0008418000000000, 0.0006173900000000, -0.0002281100000000 ] - [ 0.0001546500000000, 0.0003793100000000, -0.0000024200000000 ] - [ 0.0000360000000000, -0.0002096700000000, 0.0000016100000000 ] - [ 0.0000128800000000, 0.0001240100000000, -0.0001652300000000 ] - [ -0.0003380400000000, 0.0003647500000000, -0.0001174800000000 ] - [ 0.0001943300000000, -0.0000840900000000, 0.0001464400000000 ] - [ 0.0001248700000000, -0.0002282000000000, -0.0001056300000000 ] - [ -0.0000264800000000, 0.0001285900000000, 0.0000059400000000 ] - [ -0.0001220900000000, -0.0000316100000000, 0.0001253700000000 ] - [ -0.0000387000000000, 0.0001228000000000, 0.0000666800000000 ] - [ -0.0000350300000000, -0.0000490800000000, 0.0000774400000000 ] - [ -0.0000150600000000, 0.0000071100000000, 0.0001074300000000 ] - [ 0.0002618300000000, 0.0001842100000000, 0.0004452700000000 ] - [ -0.0001464000000000, 0.0002317500000000, -0.0001920500000000 ] - [ 0.0000000400000000, 0.0001917300000000, -0.0000521500000000 ] - [ -0.0000148000000000, 0.0001909800000000, -0.0000536100000000 ] - [ 0.0000241900000000, -0.0001484600000000, -0.0000391500000000 ] - [ -0.0000333900000000, 0.0000103200000000, -0.0001364300000000 ] - [ -0.0012472200000000, 0.0004446100000000, -0.0011152600000000 ] - [ 0.0000894700000000, 0.0001406200000000, 0.0001263800000000 ] - [ 0.0008463900000000, 0.0005765700000000, -0.0005976900000000 ] - [ -0.0001466300000000, 0.0001287100000000, 0.0002168400000000 ] - [ -0.0000543400000000, -0.0000695600000000, -0.0000564500000000 ] - [ 0.0000143200000000, 0.0001217000000000, -0.0000124300000000 ] - [ 0.0000002200000000, 0.0004726500000000, 0.0003741400000000 ] - [ 0.0000871900000000, 0.0004726800000000, -0.0004150700000000 ] - [ 0.0001532300000000, 0.0001084900000000, -0.0001084300000000 ] - [ -0.0000587300000000, 0.0001272800000000, -0.0000019200000000 ] - [ -0.0000547200000000, -0.0002539400000000, -0.0001694900000000 ] - [ -0.0000131600000000, -0.0001033800000000, -0.0000508800000000 ] - [ 0.0023803800000000, 0.0052415400000000, -0.0036252800000000 ] - [ 0.0000202100000000, 0.0003495600000000, 0.0001067900000000 ] - [ -0.0002486400000000, -0.0003481400000000, -0.0002912000000000 ] - [ 0.0000908900000000, 0.0001303100000000, 0.0000240500000000 ] - [ 0.0014240700000000, -0.0000931100000000, 0.0013373900000000 ] - [ -0.0000330100000000, 0.0001628300000000, -0.0000396300000000 ] - [ 0.0000049000000000, 0.0001090200000000, -0.0000965000000000 ] - [ -0.0000160200000000, 0.0002172700000000, 0.0000687900000000 ] - [ 0.0001559100000000, 0.0014310500000000, 0.0019493800000000 ] - [ -0.0000060800000000, 0.0001004300000000, -0.0001383600000000 ] - [ -0.0003102400000000, -0.0000543600000000, 0.0000374000000000 ] - [ 0.0001484500000000, 0.0003268800000000, -0.0000700900000000 ] - [ 0.0001387800000000, 0.0001591300000000, -0.0003270300000000 ] - [ -0.0000937700000000, 0.0001579900000000, 0.0000864300000000 ] - [ 0.0006901400000000, -0.0005670600000000, -0.0000006400000000 ] - [ -0.0001592400000000, 0.0002036200000000, -0.0000408600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013835900000000, -0.0049910500000000, 0.0067907800000000 ] - [ 0.0000731700000000, 0.0007363400000000, 0.0002148300000000 ] - [ 0.0010401600000000, -0.0006908300000000, -0.0007958000000000 ] - [ -0.0001947700000000, 0.0003693600000000, 0.0001983000000000 ] - [ 0.0003733700000000, -0.0005263000000000, -0.0007997300000000 ] - [ -0.0002052200000000, 0.0002765200000000, 0.0001209900000000 ] - [ -0.0003353600000000, -0.0008019200000000, 0.0000268900000000 ] - [ 0.0000350900000000, 0.0004252800000000, -0.0000236200000000 ] - [ 0.0000283700000000, 0.0001863100000000, -0.0002887700000000 ] - [ 0.0002396400000000, 0.0003115300000000, -0.0000611600000000 ] - [ 0.0003791100000000, -0.0004941000000000, 0.0001223900000000 ] - [ 0.0000360600000000, 0.0002414400000000, 0.0000163000000000 ] - [ -0.0007692800000000, 0.0010822700000000, -0.0009259000000000 ] - [ 0.0000858600000000, 0.0009905900000000, 0.0003679700000000 ] - [ 0.0008242800000000, -0.0020810900000000, -0.0019467800000000 ] - [ -0.0000188900000000, 0.0005486800000000, 0.0000911400000000 ] - [ -0.0002948000000000, -0.0010006300000000, -0.0001034400000000 ] - [ 0.0001987700000000, 0.0002333700000000, -0.0000966700000000 ] - [ -0.0001619100000000, -0.0014754400000000, 0.0005658800000000 ] - [ -0.0000664700000000, 0.0002979400000000, 0.0000999000000000 ] - [ 0.0000048400000000, -0.0003224100000000, -0.0004206800000000 ] - [ 0.0000056200000000, 0.0005217300000000, -0.0001545300000000 ] - [ -0.0000063500000000, -0.0003361100000000, -0.0001345600000000 ] - [ 0.0000403600000000, 0.0002232300000000, -0.0001349300000000 ] - [ 0.0003318600000000, 0.0004949700000000, 0.0001141900000000 ] - [ -0.0002661600000000, 0.0002071300000000, 0.0002464500000000 ] - [ 0.0000551000000000, -0.0003137900000000, 0.0002557500000000 ] - [ -0.0001480500000000, 0.0002923800000000, -0.0000736100000000 ] - [ -0.0000818900000000, -0.0004726700000000, 0.0002779800000000 ] - [ -0.0001858400000000, 0.0002150700000000, -0.0000741600000000 ] - [ -0.0008354100000000, 0.0007518200000000, 0.0005386400000000 ] - [ 0.0007095800000000, 0.0012146000000000, 0.0002005100000000 ] - [ 0.0000534800000000, -0.0003416400000000, -0.0004564800000000 ] - [ 0.0002144100000000, 0.0005618900000000, -0.0000243300000000 ] - [ -0.0045787900000000, -0.0090692700000000, -0.0002407300000000 ] - [ -0.0000523800000000, 0.0005366900000000, -0.0000240600000000 ] - [ -0.0000969700000000, -0.0004600700000000, 0.0001191400000000 ] - [ -0.0002032200000000, 0.0005695300000000, -0.0000069400000000 ] - [ -0.0001140700000000, 0.0000086200000000, 0.0001256700000000 ] - [ 0.0000331400000000, 0.0002295700000000, 0.0000540000000000 ] - [ -0.0008021900000000, 0.0035451800000000, -0.0000386700000000 ] - [ 0.0006153900000000, 0.0006794900000000, 0.0000979100000000 ] - [ -0.0005407700000000, 0.0001977400000000, -0.0002534500000000 ] - [ 0.0000955600000000, 0.0000148000000000, 0.0003647200000000 ] - [ 0.0001748600000000, 0.0004077800000000, -0.0001284100000000 ] - [ -0.0000841600000000, 0.0001486400000000, -0.0003972600000000 ] - [ 0.0001198000000000, -0.0005977400000000, 0.0003980500000000 ] - [ 0.0000259300000000, 0.0003590300000000, -0.0002504100000000 ] - [ 0.0001396800000000, 0.0006212300000000, -0.0001271900000000 ] - [ -0.0000147300000000, -0.0003462600000000, -0.0001574700000000 ] - [ -0.0001414200000000, -0.0014571600000000, 0.0040035100000000 ] - [ 0.0000216200000000, -0.0006961400000000, -0.0001055700000000 ] - [ 0.0001479500000000, 0.0002615400000000, -0.0000972000000000 ] - [ 0.0000471400000000, -0.0003576500000000, 0.0000005800000000 ] - [ -0.0013209000000000, 0.0011231700000000, 0.0008566200000000 ] - [ 0.0000051000000000, -0.0004063200000000, 0.0001096200000000 ] - [ 0.0019103200000000, -0.0026661100000000, 0.0001707800000000 ] - [ -0.0004175700000000, -0.0012422200000000, -0.0004580900000000 ] - [ 0.0000023800000000, 0.0002026300000000, 0.0000103300000000 ] - [ -0.0000761300000000, -0.0004352600000000, 0.0000764700000000 ] - [ 0.0001045700000000, 0.0002403500000000, 0.0001508000000000 ] - [ 0.0000052200000000, -0.0004758800000000, -0.0000556700000000 ] - [ -0.0001022200000000, 0.0001152000000000, 0.0000790000000000 ] - [ 0.0001487900000000, -0.0002863800000000, 0.0001930500000000 ] - [ 0.0000942000000000, -0.0001389600000000, 0.0001431400000000 ] - [ -0.0001431400000000, 0.0000458100000000, -0.0001033100000000 ] - [ 0.0017258500000000, -0.0022151000000000, -0.0039941800000000 ] - [ -0.0000043600000000, -0.0002455300000000, 0.0002249700000000 ] - [ -0.0002017500000000, 0.0005216700000000, 0.0004176300000000 ] - [ -0.0000535900000000, -0.0002533800000000, 0.0000133400000000 ] - [ -0.0001042200000000, 0.0002379000000000, -0.0000391600000000 ] - [ -0.0000041500000000, -0.0001499000000000, -0.0000070400000000 ] - [ 0.0035175300000000, 0.0266353000000000, -0.0080134600000000 ] - [ -0.0000188400000000, -0.0000610200000000, -0.0000080800000000 ] - [ -0.0001209200000000, 0.0001432400000000, -0.0000411400000000 ] - [ 0.0000569900000000, -0.0002467200000000, -0.0000596600000000 ] - [ 0.0002197100000000, 0.0001253900000000, -0.0001152700000000 ] - [ -0.0000972300000000, -0.0002570600000000, 0.0000252600000000 ] - [ -0.0000883100000000, 0.0002757300000000, -0.0000878700000000 ] - [ -0.0000679400000000, -0.0002960100000000, 0.0000662500000000 ] - [ 0.0005587400000000, -0.0002871900000000, 0.0006649600000000 ] - [ -0.0000374000000000, -0.0001172700000000, -0.0000627300000000 ] - [ 0.0000136300000000, 0.0003841300000000, 0.0001647100000000 ] - [ 0.0000146800000000, 0.0000495600000000, 0.0000276000000000 ] - [ 0.0001340800000000, 0.0005379300000000, 0.0001912400000000 ] - [ -0.0000031800000000, -0.0000988600000000, -0.0000044400000000 ] - [ -0.0000085000000000, 0.0000350200000000, 0.0001378500000000 ] - [ -0.0000123200000000, -0.0003696400000000, -0.0001334300000000 ] - [ 0.0000299600000000, 0.0001849700000000, -0.0000258100000000 ] - [ 0.0000133600000000, -0.0001161400000000, -0.0001636500000000 ] - [ -0.0000066000000000, -0.0000306000000000, 0.0000099500000000 ] - [ -0.0000519900000000, -0.0000239200000000, 0.0000166300000000 ] - [ -0.0002585700000000, -0.0000004100000000, 0.0000150100000000 ] - [ 0.0001397000000000, -0.0001180400000000, -0.0000592500000000 ] - [ -0.0000531600000000, 0.0001868100000000, 0.0001197400000000 ] - [ 0.0000228100000000, -0.0000144800000000, 0.0001001000000000 ] - [ 0.0000336400000000, -0.0000197600000000, 0.0000484900000000 ] - [ 0.0000138800000000, -0.0002872900000000, 0.0001186600000000 ] - [ 0.0008599400000000, -0.0004271000000000, 0.0000753000000000 ] - [ -0.0001445900000000, -0.0001850200000000, -0.0001557600000000 ] - [ 0.0000163400000000, 0.0001500500000000, -0.0001844800000000 ] - [ 0.0000401900000000, -0.0001838000000000, -0.0000165300000000 ] - [ 0.0003365100000000, -0.0003638500000000, 0.0001179200000000 ] - [ -0.0001926000000000, 0.0000805300000000, -0.0001447900000000 ] - [ -0.0001231300000000, 0.0002402200000000, 0.0001048200000000 ] - [ 0.0000261800000000, -0.0001138400000000, -0.0000059900000000 ] - [ 0.0000673000000000, 0.0000898700000000, 0.0000573800000000 ] - [ -0.0000151900000000, -0.0000618700000000, 0.0001142200000000 ] - [ -0.0000190900000000, -0.0000100300000000, 0.0001051400000000 ] - [ -0.0000381400000000, -0.0000688600000000, 0.0000729400000000 ] - [ -0.0002640700000000, -0.0002046900000000, -0.0004492300000000 ] - [ 0.0001441400000000, -0.0002499200000000, 0.0001913200000000 ] - [ -0.0000359600000000, 0.0001575900000000, -0.0001072600000000 ] - [ -0.0000191300000000, 0.0001571700000000, -0.0001040000000000 ] - [ -0.0000157600000000, -0.0000439800000000, -0.0001198400000000 ] - [ 0.0000421000000000, -0.0002021800000000, -0.0000233400000000 ] - [ 0.0012359000000000, -0.0005897000000000, 0.0011012500000000 ] - [ -0.0000899900000000, -0.0002887100000000, -0.0001280800000000 ] - [ -0.0008661600000000, -0.0007780700000000, 0.0007683300000000 ] - [ 0.0001345100000000, -0.0003203600000000, -0.0000555400000000 ] - [ 0.0000538700000000, 0.0000884400000000, 0.0000545700000000 ] - [ -0.0000145600000000, -0.0001039100000000, 0.0000115400000000 ] - [ 0.0000345100000000, -0.0001226200000000, -0.0002143300000000 ] - [ -0.0000510500000000, -0.0001225900000000, 0.0005679000000000 ] - [ -0.0001530500000000, 0.0000410200000000, 0.0001098100000000 ] - [ 0.0000580300000000, 0.0000197400000000, 0.0000018500000000 ] - [ 0.0000195100000000, -0.0000965300000000, 0.0000091100000000 ] - [ -0.0000212200000000, -0.0002442600000000, -0.0001064900000000 ] - [ -0.0022761400000000, -0.0050891000000000, 0.0033577100000000 ] - [ 0.0000341900000000, -0.0002890500000000, -0.0002881100000000 ] - [ 0.0002500900000000, 0.0003495200000000, 0.0002939800000000 ] - [ -0.0000913400000000, -0.0001306500000000, -0.0000245100000000 ] - [ -0.0014234700000000, 0.0000891500000000, -0.0013361300000000 ] - [ 0.0000323900000000, -0.0001761900000000, 0.0000392400000000 ] - [ -0.0000129100000000, 0.0000789100000000, 0.0002581200000000 ] - [ 0.0000053300000000, -0.0000244700000000, 0.0000899900000000 ] - [ -0.0001195500000000, -0.0017602100000000, -0.0017590500000000 ] - [ 0.0000413700000000, -0.0004492400000000, 0.0002973300000000 ] - [ 0.0003168200000000, 0.0002462500000000, -0.0001960200000000 ] - [ -0.0001391300000000, -0.0001362100000000, -0.0000890100000000 ] - [ -0.0000849800000000, -0.0002167700000000, 0.0001437700000000 ] - [ 0.0001460500000000, -0.0002167000000000, -0.0002666500000000 ] - [ -0.0006895800000000, 0.0005699800000000, 0.0000003500000000 ] - [ 0.0001586600000000, -0.0002033500000000, 0.0000413000000000 ]- atom: 73 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ 0.0059471100000000, -0.0039018800000000, 0.0164728300000000 ] - [ -0.0000550200000000, 0.0003304800000000, 0.0001754200000000 ] - [ 0.0020537000000000, -0.0001305200000000, -0.0016083900000000 ] - [ 0.0000111500000000, 0.0000209100000000, 0.0000508000000000 ] - [ 0.0006880100000000, 0.0008121800000000, -0.0007227700000000 ] - [ -0.0001642700000000, -0.0002842100000000, -0.0000255400000000 ] - [ -0.0007029600000000, -0.0001816100000000, 0.0008859400000000 ] - [ -0.0000124800000000, 0.0001663700000000, 0.0000389900000000 ] - [ -0.0001768400000000, 0.0004885400000000, -0.0008724400000000 ] - [ 0.0001625700000000, 0.0002038100000000, -0.0002241600000000 ] - [ 0.0002199500000000, -0.0003966600000000, 0.0006040000000000 ] - [ 0.0001288800000000, -0.0000199800000000, 0.0001206100000000 ] - [ -0.0010164600000000, 0.0019956800000000, 0.0003585400000000 ] - [ -0.0002446500000000, -0.0002996600000000, 0.0003311700000000 ] - [ 0.0029377500000000, 0.0002247700000000, 0.0035779300000000 ] - [ -0.0000017000000000, 0.0001909100000000, 0.0000851800000000 ] - [ -0.0000847800000000, -0.0003122900000000, 0.0005237800000000 ] - [ 0.0001189600000000, 0.0000116300000000, -0.0000728100000000 ] - [ 0.0015234800000000, -0.0009776800000000, -0.0006503300000000 ] - [ -0.0000752700000000, 0.0000672900000000, 0.0001085000000000 ] - [ -0.0004531300000000, -0.0002068400000000, -0.0012138900000000 ] - [ 0.0000301100000000, 0.0002986600000000, -0.0002119100000000 ] - [ -0.0002802900000000, -0.0002820100000000, -0.0005641400000000 ] - [ -0.0000016500000000, 0.0000818600000000, -0.0001812100000000 ] - [ 0.0001061600000000, 0.0003486900000000, 0.0001859000000000 ] - [ -0.0001577200000000, 0.0000539000000000, 0.0000667300000000 ] - [ -0.0003990300000000, -0.0004195500000000, 0.0000718400000000 ] - [ -0.0001518800000000, 0.0001657400000000, 0.0000018700000000 ] - [ -0.0008448000000000, -0.0008901100000000, -0.0005711400000000 ] - [ -0.0002149900000000, 0.0000484100000000, -0.0000235700000000 ] - [ 0.0000504900000000, -0.0008895100000000, 0.0013841400000000 ] - [ 0.0002804800000000, 0.0009461600000000, 0.0005577500000000 ] - [ 0.0003375100000000, 0.0000759200000000, -0.0018016500000000 ] - [ 0.0002187100000000, 0.0003101200000000, -0.0000602200000000 ] - [ -0.0000421000000000, -0.0003795200000000, 0.0052201400000000 ] - [ 0.0001417500000000, 0.0000494700000000, 0.0001322100000000 ] - [ -0.0000433900000000, -0.0001886600000000, -0.0000171500000000 ] - [ -0.0002072000000000, 0.0003458600000000, -0.0000230500000000 ] - [ 0.0000559200000000, -0.0000820200000000, -0.0000187400000000 ] - [ 0.0000390700000000, 0.0001809900000000, 0.0000795500000000 ] - [ -0.0001794700000000, 0.0003063100000000, 0.0013893600000000 ] - [ 0.0002784600000000, 0.0001509400000000, 0.0001579100000000 ] - [ -0.0006638600000000, 0.0003675100000000, -0.0001611400000000 ] - [ -0.0000900800000000, -0.0001935500000000, 0.0001809200000000 ] - [ 0.0001661200000000, 0.0001632800000000, -0.0006377100000000 ] - [ 0.0002094200000000, 0.0003885600000000, -0.0006448900000000 ] - [ 0.0004456700000000, -0.0005925700000000, -0.0012365900000000 ] - [ 0.0000816400000000, 0.0003109000000000, -0.0003218100000000 ] - [ 0.0002215500000000, 0.0002576000000000, -0.0005908100000000 ] - [ 0.0000285300000000, -0.0001027800000000, -0.0001579700000000 ] - [ -0.0028715800000000, -0.0066843300000000, 0.0016586400000000 ] - [ -0.0001063500000000, -0.0001213100000000, -0.0000343000000000 ] - [ 0.0007425700000000, -0.0000071700000000, 0.0005094200000000 ] - [ 0.0000749500000000, -0.0002065800000000, 0.0000171800000000 ] - [ -0.0041880500000000, -0.0001358600000000, 0.0029565400000000 ] - [ 0.0000102300000000, -0.0000548500000000, 0.0001325200000000 ] - [ 0.0006134600000000, -0.0005556500000000, -0.0014128100000000 ] - [ 0.0002004400000000, -0.0002556800000000, -0.0007858000000000 ] - [ 0.0001842800000000, 0.0001583400000000, -0.0000574000000000 ] - [ -0.0000133200000000, -0.0002453800000000, 0.0000301600000000 ] - [ -0.0004916500000000, -0.0002439500000000, 0.0010149300000000 ] - [ -0.0001059700000000, -0.0001685400000000, 0.0002035900000000 ] - [ 0.0001286100000000, 0.0003072600000000, 0.0003929600000000 ] - [ 0.0001641600000000, -0.0002463700000000, 0.0002109300000000 ] - [ 0.0000919800000000, -0.0002110200000000, 0.0001446500000000 ] - [ 0.0000220900000000, 0.0001236400000000, 0.0000553800000000 ] - [ -0.0017985200000000, 0.0050179200000000, 0.0031679100000000 ] - [ 0.0000050700000000, -0.0000859700000000, 0.0001160100000000 ] - [ -0.0007903000000000, 0.0006030800000000, 0.0010512000000000 ] - [ -0.0000520500000000, -0.0001075300000000, 0.0000864800000000 ] - [ -0.0003620100000000, 0.0000132500000000, -0.0003150200000000 ] - [ -0.0000102800000000, -0.0000555700000000, -0.0000222000000000 ] - [ -0.0059109200000000, 0.0089005100000000, -0.0380525200000000 ] - [ -0.0000205200000000, 0.0001031600000000, -0.0001014000000000 ] - [ -0.0003451400000000, -0.0001078600000000, 0.0002983500000000 ] - [ 0.0000074300000000, -0.0001547100000000, -0.0000377000000000 ] - [ -0.0001867200000000, 0.0001352500000000, -0.0002760200000000 ] - [ -0.0000416100000000, -0.0001687700000000, -0.0000115400000000 ] - [ 0.0007448200000000, 0.0002249100000000, -0.0002692800000000 ] - [ -0.0000112700000000, -0.0001792500000000, 0.0000619200000000 ] - [ 0.0016277900000000, -0.0017191600000000, 0.0025981200000000 ] - [ 0.0000099700000000, -0.0000093800000000, 0.0000163200000000 ] - [ 0.0001694700000000, 0.0002522400000000, 0.0003231200000000 ] - [ 0.0000213700000000, 0.0001221800000000, 0.0000619500000000 ] - [ 0.0004941200000000, 0.0007830600000000, 0.0007754500000000 ] - [ 0.0000077000000000, -0.0000164900000000, 0.0000203200000000 ] - [ 0.0000289100000000, 0.0000329700000000, 0.0007151300000000 ] - [ -0.0000166100000000, -0.0002233400000000, -0.0000326200000000 ] - [ 0.0001764000000000, 0.0001069600000000, -0.0001468400000000 ] - [ 0.0000262800000000, -0.0000401800000000, -0.0001402200000000 ] - [ -0.0000111200000000, -0.0000043300000000, 0.0000840900000000 ] - [ -0.0000804300000000, -0.0000506800000000, 0.0001255500000000 ] - [ -0.0001939500000000, -0.0000975900000000, -0.0001153000000000 ] - [ 0.0000120100000000, 0.0000063900000000, -0.0000446900000000 ] - [ -0.0001901200000000, 0.0001732800000000, 0.0003350800000000 ] - [ 0.0000117600000000, 0.0000346600000000, 0.0001043700000000 ] - [ 0.0000023700000000, -0.0001365000000000, 0.0000598400000000 ] - [ 0.0000139000000000, -0.0002093400000000, 0.0000940500000000 ] - [ 0.0004855200000000, -0.0003757000000000, -0.0009285600000000 ] - [ -0.0000157500000000, 0.0000123400000000, -0.0001900100000000 ] - [ 0.0001104300000000, -0.0000222400000000, -0.0000517600000000 ] - [ 0.0000344900000000, -0.0001058800000000, -0.0000468300000000 ] - [ 0.0002462100000000, -0.0002160500000000, -0.0001194400000000 ] - [ -0.0000705200000000, 0.0001078800000000, -0.0001909800000000 ] - [ -0.0002450400000000, 0.0002350400000000, 0.0003583200000000 ] - [ -0.0000023600000000, -0.0000351300000000, 0.0000143200000000 ] - [ 0.0000919200000000, 0.0000405200000000, 0.0000270400000000 ] - [ -0.0000139100000000, 0.0000263200000000, 0.0000690300000000 ] - [ 0.0000057300000000, -0.0000159400000000, 0.0001128500000000 ] - [ -0.0000139500000000, 0.0000130200000000, 0.0001292700000000 ] - [ -0.0000473900000000, 0.0000876600000000, -0.0001723500000000 ] - [ 0.0000132300000000, -0.0001551700000000, -0.0000461300000000 ] - [ -0.0000480500000000, 0.0001940400000000, -0.0001660000000000 ] - [ -0.0000371400000000, 0.0001916400000000, -0.0001626400000000 ] - [ 0.0000275600000000, 0.0000147000000000, -0.0000160100000000 ] - [ 0.0000730300000000, -0.0002579000000000, -0.0000236900000000 ] - [ 0.0010483800000000, -0.0007857800000000, 0.0002316100000000 ] - [ -0.0000256300000000, -0.0001157200000000, -0.0000568300000000 ] - [ -0.0001783600000000, -0.0002686900000000, -0.0000646200000000 ] - [ 0.0000379500000000, -0.0001131900000000, 0.0000007400000000 ] - [ 0.0000742000000000, 0.0000256300000000, 0.0002342900000000 ] - [ 0.0000117500000000, -0.0000377300000000, 0.0000421300000000 ] - [ -0.0000241200000000, 0.0006602000000000, 0.0003405200000000 ] - [ -0.0000221600000000, -0.0001156800000000, 0.0003413200000000 ] - [ -0.0002126800000000, -0.0000523600000000, 0.0001351400000000 ] - [ 0.0000207100000000, 0.0000418700000000, 0.0000651700000000 ] - [ 0.0000863200000000, -0.0000953100000000, 0.0001191400000000 ] - [ 0.0000171300000000, -0.0001968900000000, -0.0000052500000000 ] - [ -0.0011528300000000, -0.0042566200000000, 0.0009993100000000 ] - [ 0.0000701700000000, -0.0000382100000000, -0.0001926000000000 ] - [ 0.0006710900000000, 0.0008155000000000, 0.0010403600000000 ] - [ -0.0000352700000000, -0.0000561300000000, 0.0000014200000000 ] - [ 0.0024395500000000, 0.0014428500000000, 0.0009364500000000 ] - [ 0.0000096400000000, -0.0000714400000000, -0.0000081000000000 ] - [ 0.0000477100000000, -0.0006682300000000, 0.0007834400000000 ] - [ -0.0000156300000000, 0.0000753200000000, 0.0001047400000000 ] - [ -0.0000623300000000, 0.0015693300000000, 0.0005931400000000 ] - [ -0.0000428200000000, -0.0003723000000000, 0.0000986900000000 ] - [ 0.0000628600000000, 0.0001880300000000, -0.0002078800000000 ] - [ -0.0000580000000000, -0.0000136400000000, -0.0000970000000000 ] - [ -0.0001223400000000, -0.0003708400000000, 0.0002327900000000 ] - [ -0.0001202000000000, 0.0000200600000000, 0.0000927700000000 ] - [ -0.0011686400000000, -0.0001269600000000, -0.0000663000000000 ] - [ 0.0000367900000000, -0.0000497300000000, -0.0000054800000000 ]- atom: 73 displacement: [ 0.0028919147919272, 0.0000000000000000, -0.0095727127208661 ] forces: - [ -0.0057581800000000, 0.0039681800000000, -0.0156043700000000 ] - [ -0.0000896000000000, -0.0000372500000000, 0.0001133300000000 ] - [ -0.0020692800000000, 0.0000531700000000, 0.0017257900000000 ] - [ -0.0000208700000000, -0.0000940700000000, 0.0000553500000000 ] - [ -0.0010824400000000, -0.0011759000000000, 0.0007188800000000 ] - [ -0.0002272300000000, -0.0000690400000000, 0.0000193600000000 ] - [ 0.0007131200000000, 0.0002570100000000, -0.0010008300000000 ] - [ 0.0000250400000000, -0.0000949600000000, -0.0001461500000000 ] - [ 0.0005656200000000, -0.0001304100000000, 0.0008696300000000 ] - [ 0.0002288100000000, 0.0001491800000000, 0.0002307800000000 ] - [ 0.0001693700000000, 0.0000491400000000, -0.0006115400000000 ] - [ 0.0002613300000000, -0.0003331400000000, -0.0001186200000000 ] - [ 0.0006301200000000, -0.0016450100000000, -0.0003479200000000 ] - [ -0.0001460700000000, 0.0006561700000000, -0.0003315400000000 ] - [ -0.0030295900000000, -0.0001039500000000, -0.0039130700000000 ] - [ -0.0000095700000000, -0.0001195400000000, 0.0000191500000000 ] - [ 0.0002299100000000, 0.0000150300000000, -0.0008160700000000 ] - [ 0.0000216100000000, -0.0003078600000000, -0.0002145200000000 ] - [ -0.0016747400000000, 0.0006910400000000, 0.0009342300000000 ] - [ -0.0000688800000000, -0.0003633700000000, 0.0001778900000000 ] - [ 0.0005925000000000, 0.0004977100000000, 0.0009228100000000 ] - [ 0.0001116700000000, -0.0000044300000000, -0.0000765100000000 ] - [ 0.0002916600000000, 0.0002107000000000, 0.0004652800000000 ] - [ 0.0000166300000000, -0.0001542700000000, 0.0000747400000000 ] - [ -0.0002502200000000, -0.0000536500000000, 0.0001035900000000 ] - [ 0.0000152700000000, 0.0002452500000000, 0.0002245700000000 ] - [ 0.0003804500000000, 0.0003488300000000, 0.0000398000000000 ] - [ 0.0001357000000000, -0.0002380300000000, 0.0001044700000000 ] - [ 0.0004565800000000, 0.0005423400000000, 0.0005646200000000 ] - [ -0.0001767400000000, -0.0004047300000000, 0.0000229100000000 ] - [ -0.0000333600000000, 0.0009627000000000, -0.0014974500000000 ] - [ -0.0002665700000000, -0.0008771100000000, -0.0006674400000000 ] - [ 0.0000567900000000, 0.0002775100000000, 0.0018148800000000 ] - [ 0.0001743200000000, 0.0000438400000000, 0.0000629700000000 ] - [ 0.0004500700000000, -0.0000058400000000, -0.0052059900000000 ] - [ 0.0002491600000000, -0.0004043400000000, -0.0001303900000000 ] - [ -0.0003493400000000, 0.0005425700000000, 0.0000211100000000 ] - [ -0.0001846500000000, 0.0000052900000000, 0.0000240000000000 ] - [ -0.0000725100000000, 0.0001537200000000, 0.0001226800000000 ] - [ -0.0000521400000000, -0.0001086300000000, 0.0000220100000000 ] - [ 0.0003266400000000, -0.0005792300000000, -0.0016856700000000 ] - [ -0.0001373400000000, -0.0004504600000000, -0.0004460500000000 ] - [ 0.0005235400000000, -0.0006637900000000, 0.0004458400000000 ] - [ -0.0000531000000000, -0.0001025400000000, 0.0001035300000000 ] - [ -0.0000193400000000, 0.0001295500000000, 0.0003528100000000 ] - [ -0.0000650800000000, -0.0000979000000000, 0.0003607600000000 ] - [ -0.0004334600000000, 0.0005178700000000, 0.0011402300000000 ] - [ -0.0000695400000000, -0.0003837000000000, 0.0002219900000000 ] - [ -0.0001565100000000, -0.0001267800000000, 0.0004116700000000 ] - [ 0.0000354900000000, 0.0002357300000000, -0.0000223600000000 ] - [ 0.0027935900000000, 0.0065058900000000, -0.0014928100000000 ] - [ 0.0000439900000000, -0.0000116000000000, 0.0002142500000000 ] - [ -0.0006773100000000, -0.0001272200000000, -0.0006873300000000 ] - [ -0.0000117600000000, 0.0000750000000000, -0.0001984200000000 ] - [ 0.0041714600000000, 0.0002688100000000, -0.0027990000000000 ] - [ -0.0000739800000000, 0.0001877400000000, 0.0000476700000000 ] - [ -0.0005671000000000, 0.0007079400000000, 0.0012287200000000 ] - [ -0.0001417600000000, 0.0003841500000000, 0.0006078500000000 ] - [ -0.0002474600000000, -0.0002921300000000, 0.0002367800000000 ] - [ -0.0000495400000000, 0.0001141700000000, 0.0001497500000000 ] - [ 0.0005581500000000, 0.0001165800000000, -0.0011996900000000 ] - [ 0.0001697300000000, 0.0000349800000000, -0.0003839700000000 ] - [ -0.0001910800000000, -0.0001770100000000, -0.0002093900000000 ] - [ -0.0002289100000000, 0.0003796900000000, -0.0000307500000000 ] - [ -0.0000921400000000, 0.0002245000000000, -0.0001459900000000 ] - [ -0.0000215400000000, -0.0001100500000000, -0.0000566600000000 ] - [ 0.0017627200000000, -0.0050348200000000, -0.0030271100000000 ] - [ -0.0000585800000000, 0.0001477600000000, 0.0000647400000000 ] - [ 0.0007357200000000, -0.0006645000000000, -0.0008693500000000 ] - [ -0.0000014500000000, 0.0000467000000000, 0.0000938200000000 ] - [ 0.0003644300000000, -0.0000321000000000, 0.0003200800000000 ] - [ 0.0000100600000000, 0.0000362400000000, 0.0000230300000000 ] - [ 0.0055921900000000, -0.0082986300000000, 0.0378297600000000 ] - [ -0.0000129400000000, 0.0002444600000000, -0.0000536500000000 ] - [ 0.0003529000000000, -0.0000834000000000, -0.0004561300000000 ] - [ -0.0000012300000000, -0.0000366800000000, -0.0001196600000000 ] - [ 0.0001876200000000, -0.0002833500000000, 0.0002774000000000 ] - [ 0.0000415700000000, 0.0000223300000000, 0.0000107900000000 ] - [ -0.0007566800000000, -0.0004173900000000, 0.0004232300000000 ] - [ 0.0000046100000000, -0.0000120300000000, 0.0000958300000000 ] - [ -0.0016184600000000, 0.0017250000000000, -0.0025789400000000 ] - [ -0.0000099300000000, 0.0000293000000000, -0.0000181900000000 ] - [ -0.0001351200000000, 0.0000945300000000, -0.0001658300000000 ] - [ 0.0000120400000000, 0.0002255500000000, 0.0000935400000000 ] - [ -0.0004925000000000, -0.0006334500000000, -0.0007740100000000 ] - [ -0.0000076300000000, 0.0001635200000000, -0.0000195900000000 ] - [ -0.0000624500000000, -0.0003814500000000, -0.0008739200000000 ] - [ -0.0000168300000000, -0.0001231900000000, -0.0001230500000000 ] - [ -0.0001227800000000, -0.0000449900000000, -0.0000326700000000 ] - [ 0.0000274000000000, 0.0001018400000000, -0.0000405700000000 ] - [ 0.0000108000000000, 0.0000038900000000, -0.0000844500000000 ] - [ 0.0000815300000000, 0.0000519000000000, -0.0001254400000000 ] - [ 0.0001949800000000, 0.0000845200000000, 0.0001170100000000 ] - [ -0.0000124900000000, -0.0000196600000000, 0.0000449200000000 ] - [ 0.0001846700000000, 0.0000168400000000, -0.0001773700000000 ] - [ -0.0000182600000000, 0.0001576700000000, 0.0000528300000000 ] - [ 0.0000309300000000, -0.0002101700000000, 0.0000939500000000 ] - [ 0.0000194200000000, -0.0001380400000000, 0.0000616400000000 ] - [ -0.0004824800000000, 0.0005722100000000, 0.0007654600000000 ] - [ 0.0000222500000000, 0.0001795600000000, 0.0000333600000000 ] - [ -0.0000566600000000, -0.0000381400000000, -0.0001305700000000 ] - [ 0.0000190700000000, 0.0000447700000000, -0.0001347800000000 ] - [ -0.0002474200000000, 0.0002175400000000, 0.0001193600000000 ] - [ 0.0000711100000000, -0.0001089700000000, 0.0001911900000000 ] - [ 0.0002449900000000, -0.0002223200000000, -0.0003615300000000 ] - [ 0.0000021400000000, 0.0000488300000000, -0.0000146600000000 ] - [ -0.0001460100000000, 0.0000199400000000, 0.0001546700000000 ] - [ -0.0000394900000000, 0.0000344300000000, 0.0001116400000000 ] - [ -0.0000593100000000, -0.0000461100000000, 0.0000669600000000 ] - [ -0.0000389400000000, -0.0000741900000000, 0.0000503100000000 ] - [ 0.0000494400000000, -0.0001051600000000, 0.0001773400000000 ] - [ -0.0000132100000000, 0.0001360800000000, 0.0000478600000000 ] - [ 0.0000151100000000, 0.0001532500000000, 0.0000112800000000 ] - [ 0.0000040200000000, 0.0001552200000000, 0.0000085900000000 ] - [ -0.0000213900000000, -0.0002073600000000, -0.0001404800000000 ] - [ -0.0000676900000000, 0.0000685800000000, -0.0001340600000000 ] - [ -0.0010548700000000, 0.0006420200000000, -0.0002280300000000 ] - [ 0.0000266000000000, -0.0000305100000000, 0.0000564700000000 ] - [ 0.0001764700000000, 0.0000824900000000, 0.0002168800000000 ] - [ -0.0000445800000000, -0.0000789400000000, 0.0001565200000000 ] - [ -0.0000749600000000, -0.0000060600000000, -0.0002382500000000 ] - [ -0.0000115000000000, 0.0000568200000000, -0.0000436300000000 ] - [ 0.0000578400000000, -0.0003153000000000, -0.0001857600000000 ] - [ 0.0000553100000000, 0.0004644000000000, -0.0001862700000000 ] - [ 0.0002129400000000, 0.0001995900000000, -0.0001361500000000 ] - [ -0.0000217900000000, 0.0001058900000000, -0.0000652600000000 ] - [ -0.0001199400000000, -0.0002512100000000, -0.0002753700000000 ] - [ -0.0000502600000000, -0.0001508300000000, -0.0001499900000000 ] - [ 0.0012162000000000, 0.0043667000000000, -0.0011860000000000 ] - [ -0.0000177100000000, 0.0001003500000000, 0.0000132200000000 ] - [ -0.0006804600000000, -0.0008265400000000, -0.0010504600000000 ] - [ 0.0000352500000000, 0.0000565200000000, -0.0000014500000000 ] - [ -0.0024517500000000, -0.0014618300000000, -0.0009292700000000 ] - [ -0.0000095700000000, 0.0000583800000000, 0.0000081400000000 ] - [ -0.0000562300000000, 0.0008726000000000, -0.0006342200000000 ] - [ 0.0000092500000000, 0.0001154000000000, 0.0000527600000000 ] - [ 0.0000946400000000, -0.0019056800000000, -0.0004386900000000 ] - [ 0.0000753300000000, 0.0000261200000000, 0.0000542700000000 ] - [ -0.0000538300000000, 0.0000014000000000, 0.0000503200000000 ] - [ 0.0000654900000000, 0.0002058500000000, -0.0000601900000000 ] - [ 0.0001759300000000, 0.0003098300000000, -0.0004145900000000 ] - [ 0.0001742800000000, -0.0000804100000000, -0.0002751500000000 ] - [ 0.0011677700000000, 0.0001224900000000, 0.0000638600000000 ] - [ -0.0000370100000000, 0.0000501000000000, 0.0000055500000000 ]- atom: 75 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ 0.0009037500000000, 0.0004074100000000, 0.0008706600000000 ] - [ 0.0000358700000000, 0.0003069400000000, 0.0002048900000000 ] - [ 0.0000125100000000, -0.0003890600000000, -0.0003967300000000 ] - [ -0.0000450500000000, 0.0002378400000000, -0.0000926200000000 ] - [ 0.0068936000000000, -0.0023212700000000, -0.0020735200000000 ] - [ -0.0000410300000000, -0.0000827900000000, -0.0000407500000000 ] - [ -0.0001907000000000, -0.0001457300000000, -0.0006807100000000 ] - [ -0.0000481100000000, 0.0001818100000000, -0.0001124500000000 ] - [ 0.0004447700000000, 0.0012691200000000, 0.0001939500000000 ] - [ 0.0000870700000000, -0.0001050700000000, -0.0000139600000000 ] - [ 0.0004072800000000, -0.0003125800000000, 0.0002828200000000 ] - [ 0.0002371900000000, -0.0000570100000000, -0.0000192100000000 ] - [ 0.0000399500000000, 0.0002612500000000, 0.0003753900000000 ] - [ 0.0000164200000000, 0.0001791900000000, 0.0000350200000000 ] - [ -0.0014634400000000, -0.0001496100000000, 0.0005930500000000 ] - [ -0.0000701400000000, 0.0001900300000000, 0.0000059200000000 ] - [ 0.0002870500000000, -0.0002381000000000, 0.0001507000000000 ] - [ 0.0001467400000000, -0.0000276900000000, -0.0001212900000000 ] - [ 0.0065906700000000, 0.0011740100000000, -0.0018266400000000 ] - [ 0.0000440300000000, 0.0001040600000000, 0.0001554400000000 ] - [ -0.0007746500000000, 0.0032878300000000, -0.0018903800000000 ] - [ 0.0000524600000000, 0.0002696200000000, -0.0001123100000000 ] - [ -0.0012970600000000, -0.0003662200000000, 0.0006995100000000 ] - [ -0.0001710300000000, 0.0000987900000000, -0.0000896000000000 ] - [ -0.0002107800000000, 0.0002478800000000, 0.0002019000000000 ] - [ -0.0003750100000000, 0.0000254200000000, -0.0000837600000000 ] - [ -0.0006765000000000, -0.0006779800000000, 0.0006298100000000 ] - [ -0.0000088400000000, 0.0001723300000000, 0.0002032600000000 ] - [ -0.0009428100000000, 0.0000695100000000, -0.0010895200000000 ] - [ -0.0003193700000000, -0.0000575900000000, 0.0000276800000000 ] - [ 0.0002129200000000, -0.0003444400000000, 0.0002082300000000 ] - [ 0.0001110700000000, 0.0003555900000000, 0.0003504700000000 ] - [ -0.0022372100000000, -0.0003407600000000, -0.0015856500000000 ] - [ 0.0001667900000000, 0.0003660400000000, 0.0000143300000000 ] - [ -0.0000746300000000, -0.0003638700000000, 0.0003629700000000 ] - [ 0.0001109600000000, -0.0000247000000000, -0.0000218600000000 ] - [ -0.0005252700000000, 0.0000285700000000, 0.0000425100000000 ] - [ -0.0002557400000000, 0.0003108500000000, -0.0000096000000000 ] - [ 0.0002575300000000, 0.0003997900000000, -0.0006443700000000 ] - [ 0.0000962500000000, -0.0000860000000000, -0.0001537600000000 ] - [ -0.0002420500000000, -0.0000260500000000, 0.0000465900000000 ] - [ -0.0000518000000000, -0.0001734800000000, -0.0002268900000000 ] - [ -0.0006805100000000, -0.0003381500000000, -0.0000704600000000 ] - [ -0.0003481000000000, 0.0002194800000000, -0.0000010400000000 ] - [ -0.0001369100000000, 0.0000677300000000, -0.0002163700000000 ] - [ -0.0005768900000000, 0.0005392900000000, -0.0005712500000000 ] - [ 0.0054107400000000, -0.0014118100000000, -0.0004389400000000 ] - [ 0.0002044600000000, 0.0000969800000000, 0.0000452300000000 ] - [ -0.0001451800000000, 0.0001844100000000, -0.0000714700000000 ] - [ 0.0000109000000000, -0.0000690400000000, -0.0000777000000000 ] - [ -0.0004977700000000, -0.0001110800000000, -0.0000173200000000 ] - [ -0.0001329900000000, -0.0002363900000000, 0.0001357100000000 ] - [ 0.0030308300000000, -0.0035843500000000, 0.0004840300000000 ] - [ 0.0001826600000000, -0.0001105800000000, -0.0000805400000000 ] - [ 0.0057813000000000, 0.0002084700000000, -0.0027319600000000 ] - [ -0.0000161300000000, -0.0001062700000000, 0.0001088100000000 ] - [ 0.0000989500000000, 0.0002674800000000, -0.0003616300000000 ] - [ 0.0001290500000000, -0.0001317700000000, -0.0002681400000000 ] - [ 0.0004135000000000, 0.0001427400000000, -0.0001861900000000 ] - [ 0.0000216200000000, -0.0002186200000000, 0.0000148400000000 ] - [ 0.0030910700000000, -0.0037506600000000, 0.0023430200000000 ] - [ -0.0000423000000000, -0.0001426700000000, -0.0000547900000000 ] - [ 0.0000921800000000, -0.0005349700000000, 0.0006202300000000 ] - [ 0.0000980400000000, 0.0001356600000000, 0.0001631600000000 ] - [ -0.0000980500000000, -0.0001180800000000, -0.0001246500000000 ] - [ -0.0001701400000000, 0.0000657000000000, 0.0000192800000000 ] - [ 0.0009485000000000, 0.0009058700000000, -0.0011421000000000 ] - [ 0.0000089100000000, -0.0001034300000000, 0.0000854400000000 ] - [ 0.0000391500000000, 0.0002836700000000, 0.0011254900000000 ] - [ -0.0000495900000000, -0.0001115200000000, 0.0000631100000000 ] - [ -0.0007839000000000, 0.0000226600000000, -0.0008921900000000 ] - [ -0.0000174800000000, -0.0000571000000000, -0.0000134900000000 ] - [ -0.0000693100000000, 0.0003014600000000, -0.0004572100000000 ] - [ -0.0000127900000000, 0.0001225800000000, -0.0000708600000000 ] - [ -0.0294108300000000, 0.0065108100000000, 0.0107276600000000 ] - [ -0.0000307800000000, -0.0001651900000000, -0.0000725400000000 ] - [ -0.0003276500000000, 0.0001891900000000, -0.0001790800000000 ] - [ -0.0000728600000000, -0.0001434300000000, -0.0000074200000000 ] - [ 0.0002562900000000, -0.0001662100000000, -0.0002206900000000 ] - [ -0.0000368600000000, -0.0001532100000000, 0.0000657600000000 ] - [ -0.0003070900000000, -0.0003296300000000, -0.0006542600000000 ] - [ -0.0000310800000000, -0.0000051600000000, -0.0000446900000000 ] - [ 0.0011765100000000, 0.0000940400000000, 0.0012166800000000 ] - [ 0.0000252500000000, 0.0001124700000000, 0.0000704800000000 ] - [ 0.0010587800000000, 0.0009230800000000, -0.0040578200000000 ] - [ -0.0000284600000000, 0.0000079900000000, -0.0000193200000000 ] - [ 0.0005689500000000, 0.0006723500000000, 0.0006075700000000 ] - [ -0.0000359400000000, -0.0003253100000000, -0.0001024000000000 ] - [ -0.0000327600000000, 0.0001038500000000, 0.0000955900000000 ] - [ 0.0000226400000000, 0.0000121000000000, -0.0000968100000000 ] - [ -0.0002373700000000, -0.0003162500000000, -0.0000459700000000 ] - [ -0.0004585200000000, 0.0012379800000000, 0.0002500600000000 ] - [ -0.0002910600000000, -0.0002345100000000, -0.0003174500000000 ] - [ -0.0001076100000000, -0.0000213200000000, 0.0000388200000000 ] - [ 0.0000360700000000, -0.0025397700000000, 0.0009785100000000 ] - [ 0.0000143300000000, 0.0001881800000000, 0.0000883900000000 ] - [ 0.0000298700000000, -0.0001266300000000, -0.0001171400000000 ] - [ 0.0000299200000000, -0.0002039400000000, 0.0000962100000000 ] - [ -0.0000279200000000, 0.0000795000000000, -0.0002051400000000 ] - [ -0.0000413600000000, 0.0000360800000000, -0.0001070900000000 ] - [ 0.0004621300000000, 0.0001727800000000, -0.0004958500000000 ] - [ 0.0000519700000000, -0.0001012500000000, -0.0000800400000000 ] - [ -0.0000346600000000, 0.0000180600000000, -0.0000658500000000 ] - [ -0.0000990400000000, 0.0001074800000000, -0.0001518200000000 ] - [ 0.0003454700000000, 0.0002206700000000, 0.0001597600000000 ] - [ 0.0000347700000000, -0.0000529200000000, 0.0000001900000000 ] - [ -0.0000321000000000, 0.0001237800000000, 0.0001194500000000 ] - [ -0.0000258200000000, -0.0001266300000000, 0.0001857100000000 ] - [ 0.0000459700000000, -0.0001961500000000, -0.0000708300000000 ] - [ 0.0000506300000000, 0.0000603300000000, 0.0000746800000000 ] - [ 0.0001161200000000, -0.0000116300000000, 0.0001618000000000 ] - [ 0.0000656500000000, -0.0000314800000000, 0.0000543600000000 ] - [ -0.0000298000000000, 0.0001367100000000, -0.0000069800000000 ] - [ -0.0000429300000000, 0.0001946600000000, -0.0000591600000000 ] - [ 0.0002806300000000, -0.0002495800000000, -0.0000461900000000 ] - [ 0.0002789300000000, -0.0002224700000000, -0.0001500400000000 ] - [ 0.0004022300000000, -0.0001764300000000, -0.0000357500000000 ] - [ 0.0000606900000000, -0.0001328600000000, 0.0000633100000000 ] - [ 0.0000449600000000, -0.0000479700000000, 0.0000735000000000 ] - [ 0.0000450800000000, -0.0001162300000000, 0.0000720000000000 ] - [ 0.0002477300000000, 0.0000769000000000, 0.0003393400000000 ] - [ 0.0000221400000000, -0.0000273500000000, 0.0000168500000000 ] - [ 0.0000326900000000, 0.0003166800000000, 0.0001244600000000 ] - [ 0.0000821300000000, -0.0006820700000000, -0.0000902500000000 ] - [ 0.0002433600000000, 0.0000154500000000, -0.0000420200000000 ] - [ 0.0001876400000000, -0.0000623300000000, 0.0002457500000000 ] - [ 0.0001233600000000, 0.0001407600000000, 0.0000271500000000 ] - [ 0.0000009300000000, -0.0003200500000000, -0.0001361800000000 ] - [ 0.0004497400000000, -0.0002901600000000, -0.0007732000000000 ] - [ 0.0000335500000000, 0.0000344200000000, -0.0000934300000000 ] - [ 0.0005811100000000, 0.0004314100000000, 0.0003189300000000 ] - [ -0.0000053700000000, -0.0000448700000000, -0.0000043400000000 ] - [ 0.0005748800000000, 0.0002109300000000, 0.0001233700000000 ] - [ 0.0000349700000000, -0.0000511600000000, 0.0000161400000000 ] - [ 0.0004747700000000, -0.0000676900000000, 0.0000342400000000 ] - [ 0.0000822400000000, 0.0000034900000000, 0.0000741900000000 ] - [ -0.0000440800000000, -0.0001660600000000, 0.0001154400000000 ] - [ 0.0000007300000000, -0.0001862300000000, 0.0000588100000000 ] - [ 0.0000939300000000, 0.0001713600000000, -0.0000570800000000 ] - [ 0.0000246400000000, 0.0000642500000000, -0.0000864800000000 ] - [ -0.0000333500000000, 0.0000512300000000, -0.0000693000000000 ] - [ -0.0000009500000000, -0.0006143500000000, 0.0002353200000000 ] - [ 0.0000478400000000, -0.0000195400000000, 0.0000575700000000 ] - [ 0.0000665600000000, -0.0000725400000000, 0.0000450500000000 ]- atom: 75 displacement: [ -0.0099999986220908, 0.0000000000000000, 0.0000052495887392 ] forces: - [ -0.0010307700000000, -0.0001092800000000, -0.0005801400000000 ] - [ -0.0001725700000000, -0.0000025600000000, 0.0000847800000000 ] - [ -0.0000341100000000, 0.0003109400000000, 0.0005038200000000 ] - [ 0.0000282400000000, -0.0003072600000000, 0.0002010200000000 ] - [ -0.0074772000000000, 0.0021689100000000, 0.0022516700000000 ] - [ -0.0003421600000000, -0.0002634800000000, 0.0000463300000000 ] - [ 0.0002132400000000, 0.0002152200000000, 0.0005619900000000 ] - [ 0.0000669500000000, -0.0001076500000000, 0.0000024200000000 ] - [ -0.0000543000000000, -0.0009134300000000, -0.0002013600000000 ] - [ 0.0003045100000000, 0.0004552500000000, 0.0000078400000000 ] - [ -0.0000189700000000, -0.0000328500000000, -0.0002879700000000 ] - [ 0.0001458400000000, -0.0002887000000000, 0.0000119900000000 ] - [ -0.0004205100000000, 0.0000868800000000, -0.0003650800000000 ] - [ -0.0003976900000000, 0.0001698900000000, -0.0000285400000000 ] - [ 0.0014382800000000, 0.0002188100000000, -0.0004751800000000 ] - [ 0.0000522000000000, -0.0001168100000000, 0.0001048600000000 ] - [ -0.0001433800000000, -0.0000669300000000, -0.0004355500000000 ] - [ -0.0000110000000000, -0.0002699600000000, -0.0001666800000000 ] - [ -0.0068477900000000, -0.0016188400000000, 0.0022453400000000 ] - [ -0.0001819100000000, -0.0004016500000000, 0.0001348300000000 ] - [ 0.0010277000000000, -0.0030210100000000, 0.0015183200000000 ] - [ 0.0000850700000000, 0.0000331300000000, -0.0001786300000000 ] - [ 0.0013018200000000, 0.0002899600000000, -0.0008000000000000 ] - [ 0.0001906000000000, -0.0001675100000000, -0.0000216500000000 ] - [ 0.0000723300000000, 0.0000532600000000, 0.0000881400000000 ] - [ 0.0002355500000000, 0.0002749500000000, 0.0003716000000000 ] - [ 0.0006560000000000, 0.0006027000000000, -0.0005170600000000 ] - [ -0.0000111700000000, -0.0002416900000000, -0.0000930000000000 ] - [ 0.0005534600000000, -0.0004089900000000, 0.0010852700000000 ] - [ -0.0000653000000000, -0.0002895800000000, -0.0000185500000000 ] - [ -0.0001933600000000, 0.0004148500000000, -0.0003158800000000 ] - [ -0.0000923700000000, -0.0002845500000000, -0.0004583300000000 ] - [ 0.0026223900000000, 0.0006790200000000, 0.0015790800000000 ] - [ 0.0002175900000000, -0.0000185300000000, -0.0000214800000000 ] - [ 0.0004586500000000, 0.0000168500000000, -0.0003717400000000 ] - [ 0.0002722100000000, -0.0003217300000000, 0.0000142800000000 ] - [ 0.0001387700000000, 0.0003143700000000, -0.0000338900000000 ] - [ -0.0001311400000000, 0.0000405200000000, 0.0000153500000000 ] - [ -0.0002743900000000, -0.0003272700000000, 0.0007499200000000 ] - [ -0.0001109600000000, 0.0001609900000000, 0.0002682100000000 ] - [ 0.0003804300000000, -0.0002729800000000, -0.0003395100000000 ] - [ 0.0001901400000000, -0.0001267900000000, -0.0000629900000000 ] - [ 0.0005411600000000, 0.0000336600000000, 0.0003577100000000 ] - [ 0.0002076700000000, -0.0005157200000000, 0.0002866200000000 ] - [ 0.0002734600000000, 0.0002336500000000, -0.0000717700000000 ] - [ 0.0007055600000000, -0.0002300400000000, 0.0002821200000000 ] - [ -0.0053808000000000, 0.0013711100000000, 0.0003046000000000 ] - [ -0.0001828700000000, -0.0001672400000000, -0.0001548700000000 ] - [ 0.0002036000000000, -0.0000474800000000, -0.0001067100000000 ] - [ 0.0000514500000000, 0.0002013200000000, -0.0001005900000000 ] - [ 0.0004316900000000, -0.0000217900000000, 0.0001969300000000 ] - [ 0.0000697700000000, 0.0000993600000000, 0.0000435100000000 ] - [ -0.0029297600000000, 0.0033980900000000, -0.0006509200000000 ] - [ -0.0001210800000000, -0.0000261000000000, -0.0000976500000000 ] - [ -0.0059124700000000, -0.0000688700000000, 0.0029647200000000 ] - [ -0.0000462700000000, 0.0002384900000000, 0.0000694800000000 ] - [ -0.0000355000000000, -0.0001325100000000, 0.0001830800000000 ] - [ -0.0000651400000000, 0.0002656300000000, 0.0000906700000000 ] - [ -0.0004748400000000, -0.0002746000000000, 0.0003616600000000 ] - [ -0.0000842200000000, 0.0000818100000000, 0.0001624700000000 ] - [ -0.0030456400000000, 0.0036593200000000, -0.0025363200000000 ] - [ 0.0001053800000000, 0.0000062200000000, -0.0001234000000000 ] - [ -0.0001565600000000, 0.0006628200000000, -0.0004364400000000 ] - [ -0.0001653300000000, -0.0000002000000000, 0.0000151000000000 ] - [ 0.0000970800000000, 0.0001309300000000, 0.0001232300000000 ] - [ 0.0001654400000000, -0.0000525700000000, -0.0000172900000000 ] - [ -0.0010020100000000, -0.0008459400000000, 0.0013227500000000 ] - [ -0.0000616900000000, 0.0001637500000000, 0.0000952400000000 ] - [ -0.0000924200000000, -0.0003399000000000, -0.0009463300000000 ] - [ -0.0000037100000000, 0.0000493600000000, 0.0001169100000000 ] - [ 0.0007818700000000, -0.0000359800000000, 0.0008696400000000 ] - [ 0.0000169900000000, 0.0000364900000000, 0.0000141400000000 ] - [ 0.0000368800000000, 0.0000461200000000, 0.0003020700000000 ] - [ -0.0000200800000000, 0.0002234700000000, -0.0000839500000000 ] - [ 0.0296691900000000, -0.0067132500000000, -0.0110788700000000 ] - [ 0.0000376900000000, -0.0000270700000000, -0.0000845300000000 ] - [ 0.0003252600000000, -0.0003333000000000, 0.0001764000000000 ] - [ 0.0000732000000000, -0.0000045900000000, 0.0000062000000000 ] - [ -0.0002624000000000, -0.0000249100000000, 0.0003741100000000 ] - [ 0.0000296300000000, -0.0000385000000000, 0.0000912900000000 ] - [ 0.0003028400000000, 0.0003469700000000, 0.0006462900000000 ] - [ 0.0000311600000000, 0.0000241000000000, 0.0000438500000000 ] - [ -0.0011222200000000, 0.0002505400000000, -0.0010439400000000 ] - [ 0.0000076600000000, 0.0002330000000000, 0.0000842500000000 ] - [ -0.0010640800000000, -0.0007720500000000, 0.0040188300000000 ] - [ 0.0000281100000000, 0.0001380300000000, 0.0000201500000000 ] - [ -0.0006063700000000, -0.0010258500000000, -0.0007625900000000 ] - [ 0.0000030100000000, -0.0000226300000000, -0.0000533800000000 ] - [ 0.0000837200000000, -0.0000418700000000, -0.0002737900000000 ] - [ 0.0000302000000000, 0.0000479400000000, -0.0000843700000000 ] - [ 0.0002351300000000, 0.0003138000000000, 0.0000456000000000 ] - [ 0.0004423600000000, -0.0012630500000000, -0.0002537600000000 ] - [ 0.0002897200000000, 0.0002182700000000, 0.0003138900000000 ] - [ 0.0001069300000000, 0.0000066800000000, -0.0000384900000000 ] - [ -0.0000514400000000, 0.0027213300000000, -0.0008181700000000 ] - [ -0.0000216900000000, -0.0000006000000000, 0.0000689400000000 ] - [ 0.0000026100000000, -0.0002188800000000, 0.0002687200000000 ] - [ 0.0000031000000000, -0.0001430700000000, 0.0000591600000000 ] - [ 0.0000349700000000, 0.0001120900000000, 0.0000472000000000 ] - [ 0.0000477900000000, 0.0001543100000000, -0.0000502000000000 ] - [ -0.0004042900000000, -0.0002295000000000, 0.0003088600000000 ] - [ 0.0000013000000000, 0.0000389400000000, -0.0001000600000000 ] - [ 0.0000346900000000, -0.0000180300000000, 0.0000656300000000 ] - [ 0.0000984400000000, -0.0001071400000000, 0.0001510000000000 ] - [ -0.0003420700000000, -0.0002043000000000, -0.0001593500000000 ] - [ -0.0000347100000000, 0.0000666700000000, -0.0000000100000000 ] - [ -0.0000230000000000, -0.0000606100000000, 0.0000604900000000 ] - [ -0.0000276600000000, 0.0001864100000000, -0.0000042300000000 ] - [ -0.0000987400000000, 0.0001328000000000, 0.0002493200000000 ] - [ -0.0001042000000000, -0.0001210200000000, 0.0001058600000000 ] - [ -0.0001154100000000, -0.0000095100000000, -0.0001591900000000 ] - [ -0.0000658800000000, 0.0000115100000000, -0.0000529900000000 ] - [ -0.0000035800000000, 0.0002095400000000, -0.0001473500000000 ] - [ 0.0000095700000000, 0.0001523000000000, -0.0000964200000000 ] - [ -0.0002708800000000, 0.0000560900000000, -0.0001106700000000 ] - [ -0.0002721400000000, 0.0000313200000000, -0.0000072400000000 ] - [ -0.0004021700000000, 0.0000313300000000, 0.0000353300000000 ] - [ -0.0000600200000000, -0.0000150500000000, -0.0000636800000000 ] - [ -0.0000512500000000, -0.0001426600000000, 0.0000839200000000 ] - [ -0.0000512200000000, -0.0000750400000000, 0.0000855100000000 ] - [ -0.0002450800000000, -0.0000571100000000, -0.0003378400000000 ] - [ -0.0000217600000000, 0.0000469600000000, -0.0000176500000000 ] - [ 0.0000007200000000, 0.0000307800000000, 0.0000306700000000 ] - [ -0.0000486000000000, 0.0010295200000000, 0.0002433700000000 ] - [ -0.0002411500000000, 0.0001305100000000, 0.0000420900000000 ] - [ -0.0001871400000000, 0.0002085600000000, -0.0002446600000000 ] - [ -0.0001564000000000, -0.0004837700000000, -0.0001815600000000 ] - [ -0.0000337700000000, -0.0000285400000000, -0.0000196500000000 ] - [ -0.0003965000000000, 0.0003523800000000, 0.0005941600000000 ] - [ 0.0000199400000000, 0.0000263800000000, -0.0000870300000000 ] - [ -0.0005759900000000, -0.0004281100000000, -0.0003182200000000 ] - [ 0.0000048300000000, 0.0000443800000000, 0.0000042500000000 ] - [ -0.0005727600000000, -0.0002247400000000, -0.0001209900000000 ] - [ -0.0000349800000000, 0.0000363000000000, -0.0000163800000000 ] - [ -0.0004802400000000, 0.0002605900000000, 0.0001219200000000 ] - [ -0.0000877800000000, 0.0001861900000000, 0.0000829400000000 ] - [ 0.0000770600000000, -0.0001816300000000, 0.0000462200000000 ] - [ 0.0000322600000000, -0.0001606900000000, 0.0000962700000000 ] - [ -0.0000866900000000, 0.0000209100000000, -0.0000995600000000 ] - [ -0.0000182200000000, 0.0001261700000000, -0.0000708500000000 ] - [ 0.0000863900000000, -0.0001118600000000, -0.0001109400000000 ] - [ 0.0000578100000000, 0.0005448000000000, -0.0004131600000000 ] - [ -0.0000476500000000, 0.0000198300000000, -0.0000566100000000 ] - [ -0.0000657300000000, 0.0000716000000000, -0.0000445100000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000175900000000, 0.0009522500000000, 0.0001160100000000 ] - [ -0.0001635300000000, -0.0002844500000000, 0.0001558500000000 ] - [ 0.0000536000000000, 0.0001912500000000, -0.0004564700000000 ] - [ 0.0001573500000000, -0.0006211800000000, 0.0003248800000000 ] - [ -0.0038896900000000, 0.0064101400000000, 0.0018106000000000 ] - [ -0.0003568800000000, -0.0007739200000000, 0.0000023600000000 ] - [ 0.0000183500000000, 0.0006373300000000, 0.0001794800000000 ] - [ 0.0000408800000000, -0.0003928700000000, -0.0000400900000000 ] - [ 0.0007316100000000, -0.0008039000000000, -0.0007816300000000 ] - [ -0.0008101100000000, -0.0005553200000000, 0.0002359200000000 ] - [ 0.0001172200000000, 0.0005138500000000, 0.0000066100000000 ] - [ 0.0002229800000000, -0.0005730500000000, 0.0000955900000000 ] - [ -0.0002840300000000, 0.0000669500000000, -0.0001541400000000 ] - [ -0.0002804500000000, -0.0001597900000000, 0.0004121800000000 ] - [ -0.0001981400000000, 0.0008461000000000, 0.0000854800000000 ] - [ 0.0000138800000000, -0.0003699700000000, 0.0000775800000000 ] - [ 0.0002483900000000, 0.0002742500000000, 0.0002429300000000 ] - [ -0.0000292100000000, -0.0005165800000000, -0.0002144000000000 ] - [ 0.0012090200000000, 0.0074915800000000, -0.0024257900000000 ] - [ 0.0000826600000000, -0.0007828900000000, 0.0000761100000000 ] - [ 0.0007419700000000, 0.0002934300000000, -0.0002343300000000 ] - [ 0.0000300400000000, -0.0004129700000000, -0.0000291900000000 ] - [ 0.0005228100000000, 0.0002834400000000, -0.0005457500000000 ] - [ -0.0000089200000000, -0.0003182700000000, 0.0000650500000000 ] - [ -0.0000645300000000, -0.0001382100000000, 0.0000991900000000 ] - [ 0.0000870600000000, 0.0003700100000000, 0.0003186400000000 ] - [ -0.0004470900000000, 0.0004168000000000, 0.0002661100000000 ] - [ 0.0000326600000000, -0.0004312600000000, -0.0000464000000000 ] - [ 0.0003613200000000, 0.0000566900000000, 0.0005670900000000 ] - [ -0.0003096000000000, -0.0005634300000000, -0.0001283400000000 ] - [ -0.0000821000000000, -0.0003950400000000, 0.0002442800000000 ] - [ 0.0001136600000000, -0.0001665900000000, -0.0003900800000000 ] - [ 0.0002075300000000, 0.0025894900000000, -0.0004392300000000 ] - [ 0.0001653600000000, -0.0003477600000000, -0.0000287900000000 ] - [ 0.0000315900000000, -0.0000432800000000, 0.0004507400000000 ] - [ 0.0002744400000000, -0.0004414000000000, 0.0000475800000000 ] - [ -0.0001366400000000, 0.0006924000000000, 0.0000339000000000 ] - [ -0.0001412500000000, -0.0001930900000000, 0.0000214600000000 ] - [ 0.0002012300000000, -0.0009300100000000, 0.0011719500000000 ] - [ -0.0007385100000000, -0.0004820000000000, -0.0010385800000000 ] - [ 0.0004118300000000, -0.0000468100000000, 0.0000322600000000 ] - [ 0.0000180400000000, -0.0004516800000000, -0.0000927900000000 ] - [ -0.0002205300000000, 0.0002628700000000, -0.0000345700000000 ] - [ 0.0002049500000000, -0.0006813100000000, 0.0002365800000000 ] - [ 0.0001081800000000, -0.0003617900000000, -0.0002219600000000 ] - [ 0.0011638700000000, -0.0002439100000000, 0.0001461200000000 ] - [ -0.0014476100000000, 0.0035310000000000, -0.0016562100000000 ] - [ -0.0000967200000000, -0.0005248500000000, -0.0001845400000000 ] - [ -0.0000452800000000, -0.0005091600000000, -0.0002800300000000 ] - [ 0.0000597200000000, 0.0004736000000000, -0.0000671300000000 ] - [ -0.0001484000000000, -0.0004012300000000, 0.0000697600000000 ] - [ 0.0000476600000000, 0.0003508200000000, -0.0000572000000000 ] - [ -0.0014940600000000, 0.0012007800000000, -0.0001348500000000 ] - [ 0.0001990800000000, 0.0004392900000000, -0.0001366200000000 ] - [ 0.0011759600000000, -0.0049319500000000, 0.0004472000000000 ] - [ -0.0000893200000000, 0.0006175600000000, 0.0000653400000000 ] - [ 0.0001872000000000, 0.0002710400000000, -0.0002668600000000 ] - [ -0.0001117000000000, 0.0002180000000000, -0.0001451500000000 ] - [ -0.0000233900000000, -0.0005000000000000, -0.0000604500000000 ] - [ -0.0000439600000000, 0.0003051700000000, 0.0001319300000000 ] - [ -0.0048266300000000, 0.0009509500000000, -0.0007247700000000 ] - [ 0.0000474300000000, 0.0004144800000000, -0.0000984800000000 ] - [ -0.0007941800000000, 0.0006859900000000, -0.0002602900000000 ] - [ 0.0005346700000000, 0.0001388300000000, 0.0002224200000000 ] - [ 0.0000396800000000, 0.0001566500000000, 0.0001071100000000 ] - [ 0.0004371700000000, 0.0001851900000000, -0.0003145800000000 ] - [ 0.0013083000000000, 0.0005306500000000, -0.0011585900000000 ] - [ -0.0000766800000000, 0.0002249000000000, 0.0000633400000000 ] - [ -0.0000904700000000, -0.0008194000000000, 0.0000344500000000 ] - [ 0.0000068900000000, 0.0001833700000000, 0.0001692900000000 ] - [ -0.0000383900000000, -0.0010654600000000, -0.0009205100000000 ] - [ 0.0000072500000000, 0.0001508600000000, 0.0000140700000000 ] - [ -0.0000042000000000, -0.0000656600000000, -0.0000872100000000 ] - [ -0.0000262200000000, 0.0003251000000000, -0.0001431300000000 ] - [ 0.0067997000000000, -0.0292269900000000, 0.0065609800000000 ] - [ -0.0000640500000000, 0.0001910600000000, -0.0001053700000000 ] - [ -0.0001193400000000, 0.0001005400000000, -0.0004378200000000 ] - [ -0.0000048400000000, 0.0000877400000000, 0.0000635500000000 ] - [ 0.0000630400000000, -0.0002894100000000, -0.0001177600000000 ] - [ 0.0000521400000000, 0.0000533400000000, 0.0000933900000000 ] - [ 0.0001468300000000, -0.0000174500000000, 0.0005077700000000 ] - [ 0.0000009100000000, 0.0001729500000000, -0.0000544100000000 ] - [ -0.0002920100000000, -0.0001972100000000, -0.0003509700000000 ] - [ 0.0000394300000000, 0.0003742600000000, 0.0001731500000000 ] - [ 0.0006224100000000, -0.0011457300000000, -0.0010992200000000 ] - [ -0.0000045600000000, 0.0002672700000000, 0.0000002500000000 ] - [ 0.0010640000000000, 0.0003441100000000, 0.0007417000000000 ] - [ -0.0000301200000000, 0.0001084100000000, 0.0000046300000000 ] - [ -0.0000297600000000, -0.0001737600000000, -0.0003111900000000 ] - [ 0.0000593800000000, 0.0002425000000000, 0.0000317500000000 ] - [ 0.0003152200000000, 0.0005404500000000, 0.0001317200000000 ] - [ 0.0018284900000000, 0.0060465400000000, 0.0010241100000000 ] - [ 0.0001056800000000, 0.0000379400000000, 0.0004368400000000 ] - [ 0.0000656700000000, 0.0001627500000000, -0.0000535000000000 ] - [ -0.0026069900000000, 0.0066797300000000, -0.0012029100000000 ] - [ 0.0000896000000000, 0.0006905800000000, 0.0000718900000000 ] - [ 0.0000031900000000, -0.0002651000000000, 0.0001558700000000 ] - [ 0.0000077400000000, -0.0000648300000000, 0.0000118200000000 ] - [ 0.0000218900000000, 0.0000275300000000, -0.0001200200000000 ] - [ 0.0000649300000000, 0.0002100000000000, -0.0000798900000000 ] - [ -0.0001193200000000, -0.0003883300000000, 0.0002232700000000 ] - [ 0.0000201700000000, 0.0001689300000000, -0.0001841900000000 ] - [ -0.0000670000000000, 0.0000977700000000, -0.0000402300000000 ] - [ 0.0001061600000000, -0.0000990900000000, 0.0000246200000000 ] - [ -0.0000794400000000, -0.0002183100000000, 0.0000307300000000 ] - [ -0.0000180300000000, 0.0001488900000000, -0.0000020700000000 ] - [ 0.0000608600000000, -0.0002646700000000, 0.0002345700000000 ] - [ -0.0000758100000000, 0.0003607800000000, -0.0000596200000000 ] - [ -0.0000923700000000, 0.0001189100000000, 0.0002604600000000 ] - [ 0.0000385000000000, -0.0000538900000000, 0.0000147500000000 ] - [ -0.0000551700000000, 0.0000558500000000, -0.0001059100000000 ] - [ -0.0000074200000000, -0.0000011100000000, 0.0000109700000000 ] - [ -0.0000387000000000, 0.0002814000000000, -0.0002554200000000 ] - [ 0.0000065800000000, 0.0001208500000000, 0.0000453600000000 ] - [ -0.0001223500000000, -0.0000062900000000, -0.0000721900000000 ] - [ -0.0001475000000000, -0.0000075500000000, -0.0000235300000000 ] - [ -0.0000280200000000, -0.0002969200000000, 0.0000043000000000 ] - [ -0.0000355300000000, 0.0000979500000000, -0.0000482300000000 ] - [ 0.0000154800000000, -0.0000716000000000, 0.0000603900000000 ] - [ -0.0000530800000000, -0.0000725200000000, 0.0000556000000000 ] - [ -0.0002112500000000, -0.0001985800000000, -0.0002473000000000 ] - [ 0.0000057900000000, 0.0001387800000000, 0.0000153100000000 ] - [ 0.0000518900000000, 0.0003982200000000, 0.0001070400000000 ] - [ -0.0001009600000000, 0.0008516600000000, 0.0002251300000000 ] - [ -0.0000451800000000, 0.0001857000000000, 0.0001101900000000 ] - [ -0.0001684800000000, 0.0001844500000000, -0.0002022500000000 ] - [ 0.0000708200000000, -0.0003252300000000, -0.0001500800000000 ] - [ -0.0000273200000000, 0.0000568300000000, 0.0000329500000000 ] - [ -0.0004495200000000, -0.0000553200000000, 0.0004145300000000 ] - [ 0.0000698000000000, 0.0002004400000000, -0.0000515400000000 ] - [ -0.0002354300000000, -0.0003008400000000, -0.0000552000000000 ] - [ 0.0001104100000000, 0.0001549100000000, 0.0000413600000000 ] - [ -0.0000005300000000, -0.0001640800000000, -0.0001160500000000 ] - [ -0.0000018500000000, 0.0001160300000000, 0.0000109900000000 ] - [ -0.0001692800000000, -0.0002450000000000, 0.0002714700000000 ] - [ -0.0000964500000000, 0.0002869500000000, 0.0000761500000000 ] - [ -0.0000096400000000, -0.0001595400000000, -0.0007390800000000 ] - [ 0.0000145800000000, -0.0000527500000000, 0.0000566900000000 ] - [ -0.0000703500000000, -0.0000817000000000, -0.0001310300000000 ] - [ 0.0000359700000000, 0.0002257300000000, -0.0000667900000000 ] - [ 0.0000113200000000, 0.0000760900000000, -0.0000744800000000 ] - [ -0.0003323600000000, 0.0013406000000000, -0.0005565300000000 ] - [ 0.0000785500000000, -0.0001154600000000, 0.0000080800000000 ] - [ -0.0001245700000000, 0.0001512200000000, -0.0000779000000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001323500000000, -0.0006835100000000, 0.0001623700000000 ] - [ 0.0000101000000000, 0.0005584900000000, 0.0001282200000000 ] - [ -0.0000524000000000, -0.0002676600000000, 0.0005500800000000 ] - [ -0.0001451400000000, 0.0005452800000000, -0.0002326300000000 ] - [ 0.0032931100000000, -0.0066280100000000, -0.0017123900000000 ] - [ -0.0000476300000000, 0.0004061000000000, -0.0000322800000000 ] - [ -0.0000208800000000, -0.0005613300000000, -0.0002702000000000 ] - [ -0.0000511800000000, 0.0004670900000000, -0.0000490500000000 ] - [ -0.0003302400000000, 0.0011714800000000, 0.0008172000000000 ] - [ 0.0012079300000000, 0.0009240500000000, -0.0002025200000000 ] - [ 0.0002899700000000, -0.0008766800000000, 0.0000182800000000 ] - [ 0.0001852100000000, 0.0001988600000000, -0.0000609300000000 ] - [ -0.0001167000000000, 0.0003016300000000, 0.0001257500000000 ] - [ -0.0001269600000000, 0.0005301600000000, -0.0004405400000000 ] - [ 0.0002095600000000, -0.0007699600000000, 0.0000078600000000 ] - [ -0.0000061100000000, 0.0004447600000000, 0.0000161500000000 ] - [ -0.0000937000000000, -0.0005565500000000, -0.0005260300000000 ] - [ 0.0001796200000000, 0.0002440300000000, -0.0000672200000000 ] - [ -0.0015438700000000, -0.0079843800000000, 0.0028909400000000 ] - [ -0.0002312000000000, 0.0005019300000000, 0.0002059900000000 ] - [ -0.0005330100000000, -0.0000577200000000, -0.0000566900000000 ] - [ 0.0001213100000000, 0.0006858200000000, -0.0002511300000000 ] - [ -0.0005289800000000, -0.0003601400000000, 0.0004536800000000 ] - [ 0.0000027300000000, 0.0002479100000000, -0.0001572500000000 ] - [ -0.0000938000000000, 0.0004058600000000, 0.0001811000000000 ] - [ -0.0002383600000000, -0.0000868400000000, -0.0000368400000000 ] - [ 0.0004462900000000, -0.0004804500000000, -0.0001752600000000 ] - [ -0.0000289200000000, 0.0003553300000000, 0.0001323700000000 ] - [ -0.0007747400000000, -0.0004322300000000, -0.0005978100000000 ] - [ -0.0001083000000000, 0.0001856600000000, 0.0000942300000000 ] - [ 0.0000805000000000, 0.0004684400000000, -0.0003312600000000 ] - [ -0.0001194100000000, 0.0002381900000000, 0.0003028800000000 ] - [ 0.0001865300000000, -0.0022134500000000, 0.0004613300000000 ] - [ 0.0002485400000000, 0.0007198600000000, 0.0000567100000000 ] - [ 0.0003818700000000, -0.0003272600000000, -0.0004225400000000 ] - [ 0.0001384300000000, 0.0000660500000000, -0.0000151000000000 ] - [ -0.0002723400000000, -0.0003224600000000, -0.0000648400000000 ] - [ -0.0002749300000000, 0.0005672800000000, -0.0000552600000000 ] - [ -0.0002015200000000, 0.0010051700000000, -0.0010876700000000 ] - [ 0.0007369200000000, 0.0005574500000000, 0.0011163900000000 ] - [ -0.0002472000000000, -0.0002221700000000, -0.0003139900000000 ] - [ 0.0001375100000000, 0.0001755600000000, -0.0001864400000000 ] - [ 0.0000638000000000, -0.0005301100000000, 0.0003138900000000 ] - [ -0.0003599900000000, 0.0004033600000000, 0.0000413100000000 ] - [ 0.0000486400000000, 0.0006333300000000, -0.0000578000000000 ] - [ -0.0010034500000000, 0.0005197400000000, -0.0004278900000000 ] - [ 0.0013622600000000, -0.0034092300000000, 0.0013567900000000 ] - [ 0.0000940100000000, 0.0004470800000000, 0.0000971900000000 ] - [ 0.0001059200000000, 0.0006429200000000, 0.0001003900000000 ] - [ 0.0000032100000000, -0.0003387200000000, -0.0001105700000000 ] - [ 0.0000867800000000, 0.0002713200000000, 0.0001098100000000 ] - [ -0.0001104100000000, -0.0004844500000000, 0.0002355600000000 ] - [ 0.0015510200000000, -0.0013202300000000, -0.0000455900000000 ] - [ -0.0001343000000000, -0.0005741000000000, -0.0000406400000000 ] - [ -0.0012115700000000, 0.0050746400000000, -0.0002901900000000 ] - [ 0.0000252500000000, -0.0004846900000000, 0.0001145400000000 ] - [ -0.0001234100000000, -0.0001367300000000, 0.0000888300000000 ] - [ 0.0001750300000000, -0.0000848600000000, -0.0000345100000000 ] - [ -0.0000428700000000, 0.0003651600000000, 0.0002399800000000 ] - [ -0.0000198000000000, -0.0004398700000000, 0.0000468300000000 ] - [ 0.0048746100000000, -0.0010914300000000, 0.0005489800000000 ] - [ 0.0000157300000000, -0.0005485100000000, -0.0000814200000000 ] - [ 0.0007388100000000, -0.0005514400000000, 0.0004394600000000 ] - [ -0.0005944800000000, -0.0000066600000000, -0.0000422300000000 ] - [ -0.0000402300000000, -0.0001412900000000, -0.0001083800000000 ] - [ -0.0004347800000000, -0.0001719400000000, 0.0003144400000000 ] - [ -0.0013738000000000, -0.0004705400000000, 0.0013478100000000 ] - [ 0.0000220300000000, -0.0001634100000000, 0.0001176600000000 ] - [ 0.0000394400000000, 0.0007577500000000, 0.0001552100000000 ] - [ -0.0000611800000000, -0.0002445000000000, 0.0000123300000000 ] - [ 0.0000384300000000, 0.0010596800000000, 0.0008959000000000 ] - [ -0.0000071700000000, -0.0001688400000000, -0.0000130800000000 ] - [ -0.0000270700000000, 0.0004106500000000, -0.0000649000000000 ] - [ -0.0000048700000000, 0.0000208500000000, -0.0000093600000000 ] - [ -0.0064331700000000, 0.0289729400000000, -0.0068309400000000 ] - [ 0.0000668900000000, -0.0003805300000000, -0.0000500300000000 ] - [ 0.0001215700000000, -0.0002481200000000, 0.0004387300000000 ] - [ 0.0000046600000000, -0.0002346400000000, -0.0000640800000000 ] - [ -0.0000701600000000, 0.0001018700000000, 0.0002730600000000 ] - [ -0.0000550500000000, -0.0002415500000000, 0.0000621000000000 ] - [ -0.0001465900000000, 0.0000363300000000, -0.0005084400000000 ] - [ -0.0000004700000000, -0.0001551200000000, 0.0000529900000000 ] - [ 0.0003168000000000, 0.0005450400000000, 0.0004998500000000 ] - [ -0.0000088300000000, -0.0000290200000000, -0.0000201300000000 ] - [ -0.0006407100000000, 0.0012788000000000, 0.0011289700000000 ] - [ 0.0000043500000000, -0.0001205600000000, 0.0000007500000000 ] - [ -0.0011066000000000, -0.0006972800000000, -0.0009011100000000 ] - [ -0.0000008400000000, -0.0004532900000000, -0.0001566900000000 ] - [ 0.0000850000000000, 0.0002367700000000, 0.0001299700000000 ] - [ -0.0000040400000000, -0.0001805200000000, -0.0002138400000000 ] - [ -0.0003164200000000, -0.0005424200000000, -0.0001328600000000 ] - [ -0.0017975200000000, -0.0059155500000000, -0.0010075800000000 ] - [ -0.0001048200000000, -0.0000542500000000, -0.0004353300000000 ] - [ -0.0000655200000000, -0.0001773500000000, 0.0000544800000000 ] - [ 0.0026643600000000, -0.0066402200000000, 0.0013887100000000 ] - [ -0.0000909000000000, -0.0004969200000000, 0.0000831400000000 ] - [ 0.0000274300000000, -0.0000797200000000, -0.0000032500000000 ] - [ 0.0000233500000000, -0.0002814900000000, 0.0001418500000000 ] - [ -0.0000188400000000, 0.0001622600000000, -0.0000338000000000 ] - [ -0.0000613900000000, -0.0000208100000000, -0.0000751800000000 ] - [ 0.0001736900000000, 0.0003278600000000, -0.0004061200000000 ] - [ 0.0000348600000000, -0.0002307500000000, 0.0000019400000000 ] - [ 0.0000658400000000, -0.0000972500000000, 0.0000407100000000 ] - [ -0.0001040800000000, 0.0000972800000000, -0.0000244800000000 ] - [ 0.0000794100000000, 0.0002336700000000, -0.0000316300000000 ] - [ 0.0000161200000000, -0.0001342200000000, 0.0000016800000000 ] - [ -0.0001167500000000, 0.0003230300000000, -0.0000522800000000 ] - [ 0.0000203700000000, -0.0003009200000000, 0.0002412500000000 ] - [ 0.0000365600000000, -0.0001785000000000, -0.0000791300000000 ] - [ -0.0000938400000000, -0.0000084700000000, 0.0001656400000000 ] - [ 0.0000551900000000, -0.0000708100000000, 0.0001079600000000 ] - [ 0.0000066400000000, -0.0000164700000000, -0.0000107500000000 ] - [ 0.0000060300000000, 0.0000648700000000, 0.0001031400000000 ] - [ -0.0000393800000000, 0.0002231700000000, -0.0001970100000000 ] - [ 0.0001233900000000, -0.0001804500000000, -0.0000837000000000 ] - [ 0.0001492500000000, -0.0001802500000000, -0.0001315800000000 ] - [ 0.0000280800000000, 0.0001470500000000, -0.0000057100000000 ] - [ 0.0000357500000000, -0.0002454400000000, 0.0000474500000000 ] - [ -0.0000173000000000, -0.0001153600000000, 0.0000947700000000 ] - [ 0.0000497900000000, -0.0001161900000000, 0.0000995100000000 ] - [ 0.0002107400000000, 0.0002139100000000, 0.0002463600000000 ] - [ -0.0000059700000000, -0.0001223800000000, -0.0000163800000000 ] - [ -0.0000196600000000, -0.0000531200000000, 0.0000451500000000 ] - [ 0.0001335200000000, -0.0005059500000000, -0.0000745100000000 ] - [ 0.0000453300000000, -0.0000381400000000, -0.0001099700000000 ] - [ 0.0001664400000000, -0.0000375400000000, 0.0002034700000000 ] - [ -0.0001048200000000, -0.0000227800000000, -0.0000037600000000 ] - [ -0.0000056100000000, -0.0004024000000000, -0.0001856600000000 ] - [ 0.0005007600000000, 0.0001157000000000, -0.0005915000000000 ] - [ -0.0000148500000000, -0.0001402200000000, -0.0001293100000000 ] - [ 0.0002349100000000, 0.0003010900000000, 0.0000555000000000 ] - [ -0.0001108600000000, -0.0001557800000000, -0.0000413500000000 ] - [ 0.0000000100000000, 0.0001507600000000, 0.0001158700000000 ] - [ 0.0000008800000000, -0.0001308600000000, -0.0000115500000000 ] - [ 0.0001666700000000, 0.0004315500000000, -0.0001158000000000 ] - [ 0.0000940800000000, -0.0000993800000000, 0.0000791100000000 ] - [ 0.0000426000000000, -0.0001871600000000, 0.0008834400000000 ] - [ 0.0000180900000000, -0.0002915500000000, 0.0000956000000000 ] - [ 0.0000708700000000, 0.0002682600000000, -0.0000241700000000 ] - [ -0.0000335600000000, -0.0000377800000000, -0.0000888100000000 ] - [ 0.0000444100000000, -0.0001360400000000, -0.0001075600000000 ] - [ 0.0003868200000000, -0.0013977800000000, 0.0003770700000000 ] - [ -0.0000785800000000, 0.0001156500000000, -0.0000080500000000 ] - [ 0.0001237500000000, -0.0001511300000000, 0.0000778000000000 ]- atom: 75 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ -0.0004744600000000, -0.0007589000000000, -0.0011790600000000 ] - [ -0.0000537000000000, 0.0002024300000000, 0.0000973400000000 ] - [ -0.0003672300000000, -0.0005516400000000, 0.0001961100000000 ] - [ -0.0001203600000000, 0.0001761700000000, -0.0000805300000000 ] - [ -0.0057129300000000, 0.0020523400000000, 0.0056228400000000 ] - [ -0.0002057500000000, -0.0000657300000000, 0.0000821800000000 ] - [ -0.0001620800000000, 0.0000752400000000, 0.0000164500000000 ] - [ 0.0000186200000000, 0.0000298800000000, -0.0000623000000000 ] - [ -0.0002189900000000, -0.0004085600000000, 0.0002055800000000 ] - [ 0.0003157500000000, 0.0004171800000000, 0.0002210400000000 ] - [ -0.0002820100000000, -0.0006320700000000, -0.0010784500000000 ] - [ 0.0001451300000000, -0.0001207800000000, -0.0000684200000000 ] - [ -0.0002383500000000, -0.0000365400000000, -0.0003515800000000 ] - [ -0.0001890500000000, 0.0004331200000000, -0.0004054400000000 ] - [ 0.0014439400000000, -0.0000055100000000, -0.0004685800000000 ] - [ 0.0000276500000000, 0.0000103700000000, 0.0000869600000000 ] - [ -0.0007033200000000, 0.0003056000000000, -0.0013673600000000 ] - [ 0.0000274700000000, -0.0001962200000000, -0.0001990700000000 ] - [ -0.0039719000000000, -0.0032725400000000, 0.0041686000000000 ] - [ -0.0000915700000000, -0.0002669000000000, 0.0002274400000000 ] - [ 0.0007019500000000, -0.0025842400000000, 0.0024956500000000 ] - [ 0.0000742000000000, 0.0001654300000000, -0.0001165100000000 ] - [ 0.0007961400000000, 0.0001265500000000, -0.0004688300000000 ] - [ 0.0000476700000000, -0.0000140400000000, -0.0000037000000000 ] - [ -0.0000319300000000, 0.0001372300000000, 0.0000551800000000 ] - [ -0.0000044200000000, 0.0001782600000000, 0.0001312600000000 ] - [ 0.0012722200000000, 0.0005550900000000, -0.0007849900000000 ] - [ -0.0000021500000000, -0.0000976400000000, -0.0000272400000000 ] - [ 0.0001197400000000, -0.0000974300000000, 0.0008662300000000 ] - [ -0.0001497300000000, -0.0002066500000000, 0.0000407400000000 ] - [ 0.0000369000000000, 0.0005523300000000, -0.0004541200000000 ] - [ 0.0001238500000000, -0.0003338700000000, -0.0005071200000000 ] - [ -0.0001182900000000, -0.0001706700000000, 0.0018373800000000 ] - [ 0.0002002400000000, 0.0001779300000000, 0.0000209200000000 ] - [ 0.0004156300000000, -0.0000400300000000, -0.0007477400000000 ] - [ 0.0002177800000000, -0.0002231700000000, -0.0001129600000000 ] - [ -0.0001075600000000, 0.0000995000000000, -0.0003270600000000 ] - [ -0.0001808700000000, 0.0001691400000000, -0.0000009000000000 ] - [ -0.0004095700000000, 0.0001983800000000, 0.0003170100000000 ] - [ -0.0001598300000000, -0.0000648900000000, 0.0003495100000000 ] - [ 0.0001930100000000, -0.0002751700000000, -0.0007267200000000 ] - [ 0.0001605100000000, -0.0000769200000000, -0.0001421500000000 ] - [ 0.0001883000000000, -0.0002437500000000, 0.0004558900000000 ] - [ 0.0000155400000000, -0.0002634800000000, 0.0002246700000000 ] - [ 0.0001890600000000, 0.0001960300000000, -0.0000026400000000 ] - [ -0.0001070400000000, 0.0001527700000000, 0.0003300000000000 ] - [ -0.0017985400000000, -0.0013055300000000, 0.0049796500000000 ] - [ -0.0000596700000000, -0.0000455000000000, -0.0000227500000000 ] - [ 0.0005579800000000, 0.0002609300000000, 0.0003605300000000 ] - [ 0.0000598700000000, 0.0000770800000000, -0.0000718700000000 ] - [ 0.0002947100000000, 0.0004774400000000, 0.0005551900000000 ] - [ -0.0000490300000000, -0.0001612600000000, 0.0002492000000000 ] - [ -0.0019073500000000, 0.0024760700000000, -0.0006946100000000 ] - [ -0.0000265100000000, -0.0001008400000000, -0.0001447700000000 ] - [ -0.0051944200000000, 0.0007688700000000, 0.0004899400000000 ] - [ -0.0000611500000000, 0.0000695600000000, 0.0000361400000000 ] - [ -0.0001383800000000, -0.0001068000000000, 0.0003344800000000 ] - [ -0.0001165400000000, 0.0001783200000000, 0.0003319200000000 ] - [ -0.0004912000000000, -0.0000266900000000, 0.0007920300000000 ] - [ -0.0000538900000000, -0.0000431800000000, 0.0001649500000000 ] - [ 0.0018321400000000, 0.0003571600000000, -0.0041365600000000 ] - [ 0.0000519500000000, -0.0000939100000000, -0.0001769600000000 ] - [ 0.0001488400000000, 0.0002823100000000, -0.0003001000000000 ] - [ -0.0000616700000000, 0.0001030000000000, -0.0001203100000000 ] - [ 0.0000378600000000, 0.0000893100000000, 0.0000409200000000 ] - [ -0.0002290400000000, -0.0002989300000000, 0.0000994500000000 ] - [ -0.0012391000000000, -0.0007728400000000, 0.0015851700000000 ] - [ -0.0000669500000000, 0.0001100900000000, 0.0001184200000000 ] - [ 0.0009212800000000, 0.0006172100000000, 0.0013988300000000 ] - [ -0.0000255700000000, -0.0000522600000000, 0.0000735800000000 ] - [ 0.0002453800000000, -0.0005858800000000, 0.0057982200000000 ] - [ 0.0000058600000000, -0.0000095200000000, 0.0000064000000000 ] - [ 0.0000284600000000, 0.0000993400000000, 0.0004176700000000 ] - [ -0.0000160700000000, 0.0001680800000000, -0.0000383000000000 ] - [ 0.0191294900000000, 0.0043455500000000, -0.0271502500000000 ] - [ 0.0000202500000000, -0.0001015200000000, -0.0000970200000000 ] - [ 0.0002548400000000, -0.0005309800000000, 0.0003201700000000 ] - [ 0.0000343100000000, 0.0000002200000000, 0.0000058300000000 ] - [ -0.0003622000000000, 0.0001113100000000, 0.0010205500000000 ] - [ -0.0000069300000000, -0.0000937200000000, 0.0000951400000000 ] - [ 0.0001406900000000, 0.0003771200000000, 0.0003353800000000 ] - [ -0.0000044000000000, -0.0000493300000000, 0.0000017800000000 ] - [ -0.0000705100000000, 0.0000353800000000, -0.0005212700000000 ] - [ 0.0000116600000000, 0.0001769700000000, 0.0000623100000000 ] - [ -0.0036858600000000, -0.0009874100000000, 0.0068987600000000 ] - [ 0.0000063000000000, 0.0000726600000000, -0.0000011600000000 ] - [ -0.0001295300000000, -0.0002698600000000, -0.0011085000000000 ] - [ -0.0000132800000000, -0.0002013700000000, -0.0001834300000000 ] - [ 0.0001454900000000, -0.0000409900000000, -0.0001828900000000 ] - [ 0.0000366600000000, 0.0000342400000000, -0.0000938900000000 ] - [ 0.0000539400000000, 0.0000121800000000, -0.0000440700000000 ] - [ 0.0001820200000000, -0.0002503500000000, -0.0010757000000000 ] - [ 0.0002103200000000, 0.0003496300000000, 0.0002678900000000 ] - [ 0.0000440900000000, -0.0000821600000000, -0.0000110400000000 ] - [ 0.0008362300000000, -0.0003673200000000, -0.0009259100000000 ] - [ -0.0000004200000000, 0.0000610500000000, 0.0000516400000000 ] - [ 0.0000744000000000, -0.0002236600000000, 0.0004097100000000 ] - [ 0.0000205900000000, -0.0001822000000000, 0.0001011300000000 ] - [ -0.0001071800000000, 0.0001410200000000, 0.0001533200000000 ] - [ -0.0000097100000000, 0.0001149100000000, -0.0000177700000000 ] - [ -0.0003293000000000, -0.0000559500000000, 0.0001422000000000 ] - [ 0.0000191400000000, -0.0000262400000000, -0.0000850200000000 ] - [ 0.0000280200000000, -0.0000330800000000, 0.0000821600000000 ] - [ 0.0000002800000000, -0.0000363800000000, 0.0002308700000000 ] - [ -0.0000868800000000, -0.0000678700000000, -0.0001160200000000 ] - [ 0.0000075000000000, -0.0000040300000000, -0.0000100200000000 ] - [ 0.0000185900000000, 0.0000871900000000, 0.0000190900000000 ] - [ -0.0000055400000000, 0.0000503300000000, 0.0000641200000000 ] - [ -0.0000536700000000, 0.0000533900000000, 0.0001629300000000 ] - [ -0.0001118200000000, -0.0001117100000000, 0.0001002600000000 ] - [ -0.0000521200000000, -0.0000362300000000, -0.0000610400000000 ] - [ -0.0000117200000000, 0.0000146200000000, 0.0000111800000000 ] - [ 0.0000137800000000, 0.0001282700000000, -0.0000355700000000 ] - [ 0.0000338000000000, 0.0002048100000000, -0.0000087400000000 ] - [ -0.0001434100000000, 0.0000008700000000, -0.0001427400000000 ] - [ -0.0000437800000000, -0.0000532600000000, -0.0001132000000000 ] - [ -0.0002373400000000, 0.0000865300000000, 0.0000461800000000 ] - [ -0.0000251000000000, -0.0000753800000000, -0.0000244900000000 ] - [ -0.0000255900000000, -0.0000880300000000, 0.0001451100000000 ] - [ -0.0000236600000000, -0.0000726400000000, 0.0001454000000000 ] - [ -0.0000499800000000, 0.0000443500000000, -0.0001219700000000 ] - [ -0.0000110900000000, 0.0000141200000000, -0.0000114800000000 ] - [ -0.0000264800000000, 0.0000001400000000, -0.0000249900000000 ] - [ -0.0001472700000000, 0.0010770400000000, -0.0000583600000000 ] - [ -0.0001007300000000, 0.0001348800000000, 0.0000240600000000 ] - [ 0.0000133800000000, 0.0000885800000000, -0.0000317500000000 ] - [ -0.0001604300000000, -0.0003739600000000, -0.0002678100000000 ] - [ -0.0000275400000000, -0.0001384000000000, -0.0000818300000000 ] - [ -0.0004352900000000, 0.0003831800000000, 0.0006165500000000 ] - [ 0.0000003300000000, -0.0000180600000000, -0.0000940600000000 ] - [ -0.0003481700000000, -0.0002707000000000, -0.0003237800000000 ] - [ -0.0000106400000000, -0.0000005000000000, -0.0000181900000000 ] - [ -0.0003400600000000, -0.0001756400000000, 0.0000094100000000 ] - [ -0.0000135500000000, -0.0000011400000000, 0.0000014400000000 ] - [ -0.0001850800000000, 0.0003282200000000, -0.0000979000000000 ] - [ -0.0000336700000000, 0.0001207300000000, 0.0000707300000000 ] - [ 0.0001048300000000, -0.0003440100000000, 0.0007984500000000 ] - [ 0.0000323400000000, -0.0001782200000000, 0.0001137300000000 ] - [ -0.0000008900000000, 0.0001246400000000, -0.0000199400000000 ] - [ -0.0000087100000000, 0.0000941700000000, -0.0000691000000000 ] - [ 0.0000445500000000, -0.0000225600000000, -0.0001378700000000 ] - [ 0.0005222900000000, -0.0012098800000000, 0.0001983200000000 ] - [ 0.0000643000000000, -0.0000125000000000, 0.0001361400000000 ] - [ 0.0000175800000000, -0.0000163200000000, 0.0000349000000000 ]- atom: 75 displacement: [ 0.0028919147919272, 0.0000000000000000, -0.0095727127208661 ] forces: - [ 0.0003266000000000, 0.0010462800000000, 0.0014676100000000 ] - [ -0.0000987100000000, 0.0000848600000000, 0.0001913300000000 ] - [ 0.0003722500000000, 0.0004815400000000, -0.0001061600000000 ] - [ 0.0001221300000000, -0.0002490400000000, 0.0001807900000000 ] - [ 0.0050896100000000, -0.0022269000000000, -0.0054954700000000 ] - [ -0.0001923800000000, -0.0002929600000000, -0.0000882000000000 ] - [ 0.0001622800000000, -0.0000032000000000, -0.0001095900000000 ] - [ -0.0000192100000000, 0.0000418100000000, -0.0000353500000000 ] - [ 0.0006205800000000, 0.0007657700000000, -0.0002062000000000 ] - [ 0.0000865500000000, -0.0000577700000000, -0.0002158100000000 ] - [ 0.0006764800000000, 0.0002639000000000, 0.0010835500000000 ] - [ 0.0002530200000000, -0.0002383900000000, 0.0000782300000000 ] - [ -0.0001617000000000, 0.0004011400000000, 0.0003452300000000 ] - [ -0.0002082000000000, -0.0000766200000000, 0.0003970700000000 ] - [ -0.0014356200000000, 0.0000773300000000, 0.0005692000000000 ] - [ -0.0000277700000000, 0.0000605300000000, 0.0000139900000000 ] - [ 0.0008497900000000, -0.0005795700000000, 0.0010731800000000 ] - [ 0.0001227000000000, -0.0000894900000000, -0.0000883600000000 ] - [ 0.0036259400000000, 0.0027732400000000, -0.0037447400000000 ] - [ -0.0000601400000000, -0.0000217800000000, 0.0000625100000000 ] - [ -0.0004612300000000, 0.0028402100000000, -0.0028277600000000 ] - [ 0.0000755300000000, 0.0001234000000000, -0.0001737700000000 ] - [ -0.0007966800000000, -0.0001959400000000, 0.0003680900000000 ] - [ -0.0000450200000000, -0.0000557800000000, -0.0000995900000000 ] - [ -0.0001176000000000, 0.0001495500000000, 0.0002325500000000 ] - [ -0.0001460900000000, 0.0001065900000000, 0.0001568900000000 ] - [ -0.0012840800000000, -0.0006350600000000, 0.0008818200000000 ] - [ 0.0000017800000000, 0.0000258300000000, 0.0001257300000000 ] - [ -0.0005112900000000, -0.0002600700000000, -0.0008727200000000 ] - [ -0.0002452300000000, -0.0001533500000000, -0.0000433300000000 ] - [ -0.0000369600000000, -0.0004760200000000, 0.0003561300000000 ] - [ -0.0001232600000000, 0.0004025600000000, 0.0004052700000000 ] - [ 0.0004958900000000, 0.0005301000000000, -0.0018322000000000 ] - [ 0.0001963200000000, 0.0001795700000000, -0.0000138900000000 ] - [ -0.0000158000000000, -0.0003150200000000, 0.0007572000000000 ] - [ 0.0001789600000000, -0.0001365400000000, 0.0001186600000000 ] - [ -0.0002907800000000, 0.0002581100000000, 0.0003159900000000 ] - [ -0.0002193900000000, 0.0001917100000000, -0.0000082300000000 ] - [ 0.0004070500000000, -0.0001308300000000, -0.0002076100000000 ] - [ 0.0001583500000000, 0.0001406700000000, -0.0002417900000000 ] - [ -0.0000385000000000, -0.0000124100000000, 0.0004363100000000 ] - [ -0.0000087800000000, -0.0002067700000000, -0.0001457500000000 ] - [ -0.0003349600000000, -0.0000452300000000, -0.0001652100000000 ] - [ -0.0001651500000000, -0.0000224300000000, 0.0000620200000000 ] - [ -0.0000377100000000, 0.0000871800000000, -0.0002841900000000 ] - [ 0.0002570200000000, 0.0001293000000000, -0.0006185200000000 ] - [ 0.0017632900000000, 0.0013985700000000, -0.0052474200000000 ] - [ 0.0000603000000000, -0.0000286600000000, -0.0000788000000000 ] - [ -0.0004888200000000, -0.0001305300000000, -0.0005427800000000 ] - [ 0.0000054900000000, 0.0000545400000000, -0.0001108100000000 ] - [ -0.0003619000000000, -0.0006102100000000, -0.0003702000000000 ] - [ -0.0000145000000000, 0.0000325300000000, -0.0000657000000000 ] - [ 0.0019732500000000, -0.0026161100000000, 0.0005158600000000 ] - [ 0.0000895900000000, -0.0000308800000000, -0.0000382900000000 ] - [ 0.0051083900000000, -0.0006340700000000, -0.0003133000000000 ] - [ -0.0000032300000000, 0.0000606000000000, 0.0001466300000000 ] - [ 0.0002021900000000, 0.0002358900000000, -0.0005159700000000 ] - [ 0.0001801600000000, -0.0000471500000000, -0.0005136900000000 ] - [ 0.0004324000000000, -0.0001037000000000, -0.0006108700000000 ] - [ -0.0000110500000000, -0.0000882200000000, 0.0000177500000000 ] - [ -0.0017429000000000, -0.0005187000000000, 0.0039620600000000 ] - [ 0.0000116800000000, -0.0000361600000000, -0.0000053300000000 ] - [ -0.0002163700000000, -0.0001499800000000, 0.0004814100000000 ] - [ -0.0000046200000000, 0.0000270400000000, 0.0003011800000000 ] - [ -0.0000382900000000, -0.0000737000000000, -0.0000409900000000 ] - [ 0.0002298500000000, 0.0003130300000000, -0.0000988100000000 ] - [ 0.0011777800000000, 0.0008335300000000, -0.0013941600000000 ] - [ 0.0000133200000000, -0.0000475100000000, 0.0000632000000000 ] - [ -0.0009869800000000, -0.0006810000000000, -0.0012327300000000 ] - [ -0.0000282600000000, -0.0000096900000000, 0.0001080600000000 ] - [ -0.0002492700000000, 0.0005555000000000, -0.0056788300000000 ] - [ -0.0000059300000000, -0.0000102300000000, -0.0000060100000000 ] - [ -0.0000619000000000, 0.0002427500000000, -0.0005711200000000 ] - [ -0.0000158800000000, 0.0001757800000000, -0.0001148000000000 ] - [ -0.0188123800000000, -0.0046412200000000, 0.0270256100000000 ] - [ -0.0000194500000000, -0.0000868400000000, -0.0000585100000000 ] - [ -0.0002540500000000, 0.0003832700000000, -0.0003221300000000 ] - [ -0.0000338300000000, -0.0001442000000000, -0.0000072300000000 ] - [ 0.0003663800000000, -0.0002993500000000, -0.0008654700000000 ] - [ 0.0000078100000000, -0.0000949500000000, 0.0000598700000000 ] - [ -0.0001404900000000, -0.0003588900000000, -0.0003347300000000 ] - [ 0.0000051200000000, 0.0000699500000000, -0.0000022200000000 ] - [ 0.0000969200000000, 0.0003099800000000, 0.0006709900000000 ] - [ 0.0000194000000000, 0.0001667000000000, 0.0000889000000000 ] - [ 0.0037799500000000, 0.0011640500000000, -0.0070666600000000 ] - [ -0.0000061600000000, 0.0000720500000000, 0.0000030400000000 ] - [ 0.0001033100000000, -0.0000687100000000, 0.0009527800000000 ] - [ -0.0000184500000000, -0.0001409100000000, 0.0000302900000000 ] - [ -0.0000903600000000, 0.0001018800000000, -0.0000008100000000 ] - [ 0.0000165500000000, 0.0000273500000000, -0.0000881700000000 ] - [ -0.0000530400000000, -0.0000094700000000, 0.0000454800000000 ] - [ -0.0001905700000000, 0.0002211300000000, 0.0010735300000000 ] - [ -0.0002093700000000, -0.0003646600000000, -0.0002687100000000 ] - [ -0.0000433700000000, 0.0000675100000000, 0.0000095700000000 ] - [ -0.0008472900000000, 0.0005892800000000, 0.0010703800000000 ] - [ -0.0000002200000000, 0.0001252100000000, 0.0001036900000000 ] - [ -0.0000419900000000, -0.0001205600000000, -0.0002550700000000 ] - [ 0.0000113500000000, -0.0001607700000000, 0.0000517300000000 ] - [ 0.0001053300000000, 0.0000455900000000, -0.0003080900000000 ] - [ 0.0000099400000000, 0.0000739500000000, -0.0001377300000000 ] - [ 0.0003820800000000, -0.0000065900000000, -0.0003234000000000 ] - [ 0.0000345600000000, -0.0000361500000000, -0.0000966000000000 ] - [ -0.0000278200000000, 0.0000330500000000, -0.0000814300000000 ] - [ -0.0000013000000000, 0.0000375500000000, -0.0002318200000000 ] - [ 0.0000869200000000, 0.0000843000000000, 0.0001176700000000 ] - [ -0.0000084500000000, 0.0000192700000000, 0.0000096600000000 ] - [ -0.0000715600000000, -0.0000249100000000, 0.0001614700000000 ] - [ -0.0000477000000000, 0.0000133300000000, 0.0001163200000000 ] - [ -0.0000002500000000, -0.0001154500000000, 0.0000187400000000 ] - [ 0.0000595300000000, 0.0000515600000000, 0.0000823800000000 ] - [ 0.0000515000000000, 0.0000166000000000, 0.0000617700000000 ] - [ 0.0000107600000000, -0.0000348200000000, -0.0000110200000000 ] - [ -0.0000448600000000, 0.0002150600000000, -0.0001182900000000 ] - [ -0.0000645300000000, 0.0001394600000000, -0.0001454000000000 ] - [ 0.0001430500000000, -0.0001894000000000, -0.0000117600000000 ] - [ 0.0000442800000000, -0.0001350900000000, -0.0000425300000000 ] - [ 0.0002360900000000, -0.0002309100000000, -0.0000479300000000 ] - [ 0.0000252800000000, -0.0000689900000000, 0.0000230600000000 ] - [ 0.0000258000000000, -0.0001001800000000, 0.0000093500000000 ] - [ 0.0000239300000000, -0.0001152200000000, 0.0000098200000000 ] - [ 0.0000506900000000, -0.0000254900000000, 0.0001214400000000 ] - [ 0.0000111100000000, 0.0000057700000000, 0.0000103900000000 ] - [ 0.0000578700000000, 0.0003427000000000, 0.0001761000000000 ] - [ 0.0001776800000000, -0.0007245900000000, 0.0002104000000000 ] - [ 0.0001005100000000, 0.0000094300000000, -0.0000225200000000 ] - [ -0.0000142300000000, 0.0000566500000000, 0.0000332300000000 ] - [ 0.0001286200000000, 0.0000293200000000, 0.0001170900000000 ] - [ -0.0000033200000000, -0.0002048800000000, -0.0000697400000000 ] - [ 0.0004873200000000, -0.0003210100000000, -0.0007963800000000 ] - [ 0.0000527900000000, 0.0000796200000000, -0.0000877600000000 ] - [ 0.0003481100000000, 0.0002702000000000, 0.0003229700000000 ] - [ 0.0000104000000000, 0.0000002600000000, 0.0000177500000000 ] - [ 0.0003393900000000, 0.0001598000000000, -0.0000100600000000 ] - [ 0.0000141900000000, -0.0000137800000000, -0.0000017200000000 ] - [ 0.0001840900000000, -0.0001399600000000, 0.0002516000000000 ] - [ 0.0000331800000000, 0.0000683400000000, 0.0000843200000000 ] - [ -0.0000738200000000, -0.0000003000000000, -0.0006460400000000 ] - [ -0.0000016300000000, -0.0001653800000000, 0.0000391900000000 ] - [ 0.0000005300000000, 0.0000635100000000, -0.0001359500000000 ] - [ 0.0000089000000000, 0.0000941100000000, -0.0000863600000000 ] - [ 0.0000092500000000, -0.0000398000000000, -0.0000442800000000 ] - [ -0.0004721500000000, 0.0011534000000000, -0.0003822900000000 ] - [ -0.0000640100000000, 0.0000120700000000, -0.0001376500000000 ] - [ -0.0000182300000000, 0.0000168700000000, -0.0000345300000000 ]- atom: 77 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ 0.0001098400000000, 0.0006927800000000, 0.0006714900000000 ] - [ 0.0000061500000000, 0.0000667700000000, 0.0002003400000000 ] - [ -0.0004892900000000, 0.0000318900000000, 0.0000161800000000 ] - [ -0.0000673500000000, -0.0000405000000000, -0.0000060600000000 ] - [ 0.0003828800000000, 0.0005408200000000, 0.0001105800000000 ] - [ 0.0002663100000000, -0.0006076900000000, -0.0001628000000000 ] - [ -0.0012433100000000, -0.0011565200000000, -0.0000867700000000 ] - [ -0.0001911400000000, 0.0002794400000000, -0.0002201700000000 ] - [ 0.0005042200000000, 0.0002884700000000, 0.0012941900000000 ] - [ 0.0002768800000000, 0.0001843800000000, 0.0000022500000000 ] - [ 0.0007866200000000, -0.0009026700000000, 0.0001395800000000 ] - [ 0.0006728500000000, 0.0002397900000000, -0.0001337700000000 ] - [ 0.0000935500000000, 0.0000753500000000, 0.0012662700000000 ] - [ -0.0001272600000000, 0.0001844300000000, -0.0000219600000000 ] - [ -0.0012587900000000, 0.0012194000000000, 0.0000218700000000 ] - [ -0.0001934700000000, -0.0002007400000000, -0.0001195000000000 ] - [ 0.0019459200000000, 0.0011741800000000, 0.0035088800000000 ] - [ 0.0001854800000000, -0.0001077100000000, -0.0001125800000000 ] - [ 0.0017596300000000, -0.0013754800000000, 0.0037189500000000 ] - [ 0.0000376900000000, -0.0001720000000000, 0.0001683300000000 ] - [ 0.0002611500000000, -0.0004115800000000, 0.0003851000000000 ] - [ 0.0001541000000000, 0.0002202000000000, -0.0000811600000000 ] - [ -0.0004825300000000, -0.0001086800000000, -0.0000791300000000 ] - [ -0.0000670500000000, -0.0000328800000000, -0.0001037100000000 ] - [ -0.0005299500000000, 0.0004404700000000, -0.0004806500000000 ] - [ -0.0002382800000000, -0.0000467500000000, -0.0000094400000000 ] - [ 0.0002437700000000, -0.0001438800000000, -0.0000911000000000 ] - [ 0.0002824500000000, -0.0000642900000000, 0.0003243000000000 ] - [ -0.0015742100000000, -0.0009105000000000, 0.0005028000000000 ] - [ -0.0002678000000000, -0.0001356100000000, -0.0000021400000000 ] - [ 0.0051322200000000, 0.0060152200000000, -0.0005832400000000 ] - [ 0.0001028800000000, 0.0001089600000000, 0.0000669800000000 ] - [ -0.0001042300000000, 0.0002856600000000, -0.0007195900000000 ] - [ 0.0000888300000000, 0.0001418400000000, -0.0000244400000000 ] - [ -0.0011663900000000, 0.0005417700000000, 0.0005205800000000 ] - [ 0.0001373600000000, -0.0002314000000000, 0.0000235900000000 ] - [ -0.0005108300000000, 0.0000774700000000, -0.0007384400000000 ] - [ -0.0003185200000000, 0.0002286500000000, -0.0000478600000000 ] - [ 0.0053818800000000, -0.0062017000000000, -0.0006208400000000 ] - [ 0.0001005600000000, -0.0000298100000000, 0.0001610600000000 ] - [ -0.0001576300000000, -0.0000780500000000, -0.0001017000000000 ] - [ -0.0008378200000000, -0.0011382500000000, -0.0005911900000000 ] - [ -0.0003049100000000, -0.0002033800000000, 0.0001807200000000 ] - [ -0.0009829200000000, 0.0008587900000000, -0.0003080100000000 ] - [ -0.0003840100000000, -0.0001562000000000, -0.0007606500000000 ] - [ -0.0000926700000000, 0.0003343500000000, -0.0002942800000000 ] - [ 0.0002505500000000, 0.0000694700000000, -0.0001882900000000 ] - [ 0.0002864400000000, -0.0000120700000000, 0.0002289600000000 ] - [ 0.0015229400000000, 0.0028286100000000, 0.0002848900000000 ] - [ 0.0000155900000000, -0.0000836200000000, 0.0000042900000000 ] - [ 0.0002089800000000, -0.0004898200000000, -0.0004992500000000 ] - [ -0.0000139000000000, -0.0000321200000000, 0.0000907900000000 ] - [ 0.0002677700000000, 0.0003696300000000, -0.0006897000000000 ] - [ 0.0000483200000000, -0.0000968900000000, -0.0000954100000000 ] - [ 0.0014803600000000, -0.0027183600000000, 0.0004653100000000 ] - [ -0.0000455700000000, 0.0002065400000000, 0.0001896900000000 ] - [ 0.0039782800000000, -0.0000281600000000, -0.0029611600000000 ] - [ 0.0000543100000000, 0.0000300600000000, -0.0001369900000000 ] - [ -0.0000925500000000, 0.0003099700000000, 0.0003908500000000 ] - [ -0.0001791100000000, -0.0003456500000000, 0.0002506900000000 ] - [ -0.0000268200000000, -0.0004356400000000, 0.0002088800000000 ] - [ -0.0001135900000000, 0.0002173000000000, 0.0000652100000000 ] - [ 0.0039318400000000, 0.0001615900000000, -0.0027931100000000 ] - [ -0.0000121400000000, 0.0000928900000000, 0.0000489800000000 ] - [ -0.0002144300000000, 0.0000054700000000, -0.0002873000000000 ] - [ -0.0000861200000000, 0.0000050300000000, 0.0000226200000000 ] - [ 0.0059392700000000, -0.0019919500000000, 0.0005065200000000 ] - [ -0.0000305500000000, 0.0000427300000000, 0.0000777900000000 ] - [ -0.0000303900000000, -0.0001090100000000, 0.0000685000000000 ] - [ -0.0000226500000000, 0.0000058900000000, 0.0000811100000000 ] - [ -0.0011936300000000, -0.0000275500000000, -0.0003204800000000 ] - [ -0.0000504700000000, -0.0000090200000000, -0.0000485300000000 ] - [ 0.0000232500000000, -0.0000426500000000, -0.0002601800000000 ] - [ -0.0000083000000000, 0.0002734300000000, -0.0001183200000000 ] - [ -0.0003207000000000, -0.0002168000000000, 0.0000896800000000 ] - [ -0.0000674000000000, -0.0001016900000000, -0.0000649200000000 ] - [ -0.0364608700000000, 0.0000911700000000, 0.0022061100000000 ] - [ -0.0000427600000000, -0.0000732400000000, -0.0000270900000000 ] - [ -0.0003317300000000, 0.0000234800000000, 0.0002445500000000 ] - [ -0.0000784400000000, -0.0000921100000000, 0.0000923900000000 ] - [ -0.0002105000000000, 0.0000097000000000, -0.0007334600000000 ] - [ -0.0000209800000000, 0.0000096400000000, -0.0000253400000000 ] - [ 0.0000522700000000, 0.0003968300000000, -0.0001074600000000 ] - [ 0.0000206500000000, 0.0000778500000000, 0.0000343600000000 ] - [ -0.0001888500000000, 0.0000728000000000, -0.0000587200000000 ] - [ -0.0000642300000000, 0.0000734100000000, -0.0000242800000000 ] - [ 0.0001996000000000, -0.0000411500000000, 0.0005044800000000 ] - [ -0.0000141100000000, -0.0001795500000000, -0.0000684700000000 ] - [ 0.0061306000000000, 0.0020966900000000, 0.0003471500000000 ] - [ 0.0000223500000000, 0.0000156700000000, -0.0000995500000000 ] - [ -0.0004610700000000, -0.0004287200000000, -0.0004566600000000 ] - [ -0.0001113600000000, -0.0001014800000000, -0.0000325700000000 ] - [ -0.0001199400000000, -0.0000076000000000, -0.0001569400000000 ] - [ -0.0012252200000000, 0.0000123300000000, 0.0000469300000000 ] - [ 0.0010519100000000, 0.0007286800000000, -0.0035136600000000 ] - [ -0.0000333300000000, 0.0000917700000000, 0.0000767400000000 ] - [ 0.0002279900000000, -0.0003100300000000, 0.0006545000000000 ] - [ 0.0000158100000000, -0.0001725400000000, 0.0000853800000000 ] - [ 0.0010718200000000, -0.0005357900000000, -0.0036503900000000 ] - [ -0.0000227900000000, 0.0001001800000000, -0.0000806400000000 ] - [ 0.0000228300000000, 0.0000497300000000, -0.0001095300000000 ] - [ 0.0000313500000000, -0.0000658400000000, -0.0000968600000000 ] - [ -0.0004597000000000, 0.0004271000000000, -0.0004538500000000 ] - [ -0.0001108700000000, 0.0001008300000000, -0.0000330600000000 ] - [ 0.0002898500000000, 0.0000064600000000, 0.0001493800000000 ] - [ 0.0000373400000000, 0.0000061300000000, 0.0000230200000000 ] - [ -0.0000256600000000, 0.0002106300000000, -0.0000328300000000 ] - [ 0.0002021000000000, -0.0006360500000000, 0.0003437400000000 ] - [ -0.0000127800000000, -0.0001052100000000, 0.0000122200000000 ] - [ -0.0000344300000000, 0.0000199100000000, 0.0001286200000000 ] - [ 0.0004421600000000, -0.0000104200000000, 0.0004720200000000 ] - [ 0.0000249500000000, -0.0000101900000000, 0.0000165200000000 ] - [ 0.0008260800000000, -0.0010712900000000, 0.0012816300000000 ] - [ -0.0000034400000000, 0.0002653600000000, -0.0000998700000000 ] - [ 0.0004086300000000, -0.0001240500000000, -0.0002050500000000 ] - [ 0.0000655600000000, -0.0001321700000000, -0.0000863000000000 ] - [ 0.0002903500000000, -0.0000734000000000, -0.0000817400000000 ] - [ 0.0002904300000000, -0.0000735900000000, 0.0002523500000000 ] - [ 0.0003961200000000, -0.0000677400000000, -0.0000472000000000 ] - [ 0.0000546200000000, -0.0000611600000000, 0.0000706000000000 ] - [ 0.0001249500000000, 0.0000090900000000, 0.0002105200000000 ] - [ 0.0001255000000000, 0.0000090100000000, 0.0001471300000000 ] - [ 0.0008452900000000, 0.0014105000000000, 0.0014197100000000 ] - [ 0.0000266900000000, 0.0000865600000000, 0.0000529400000000 ] - [ 0.0002505300000000, 0.0000735300000000, 0.0000092800000000 ] - [ 0.0000557100000000, 0.0000729800000000, 0.0000606300000000 ] - [ -0.0000099900000000, -0.0001176400000000, -0.0000533200000000 ] - [ -0.0000495200000000, -0.0003293500000000, -0.0003104500000000 ] - [ 0.0000299200000000, -0.0001517200000000, -0.0002105900000000 ] - [ 0.0002543800000000, 0.0006884900000000, 0.0001631000000000 ] - [ 0.0003575500000000, 0.0002504100000000, 0.0002054700000000 ] - [ 0.0000491500000000, 0.0000326700000000, 0.0000345800000000 ] - [ 0.0015900200000000, -0.0000037200000000, 0.0000711500000000 ] - [ 0.0000571100000000, -0.0000059300000000, -0.0000038600000000 ] - [ 0.0001825600000000, -0.0000722200000000, 0.0001483500000000 ] - [ 0.0002377800000000, 0.0000502800000000, 0.0000458000000000 ] - [ 0.0000196300000000, -0.0002347500000000, 0.0001000500000000 ] - [ -0.0000195700000000, -0.0000226800000000, -0.0001557200000000 ] - [ 0.0001929400000000, 0.0002642600000000, -0.0000079100000000 ] - [ 0.0002477900000000, 0.0001402100000000, -0.0001103200000000 ] - [ 0.0000415200000000, 0.0000463400000000, -0.0001645200000000 ] - [ 0.0000207100000000, -0.0000799500000000, -0.0000487600000000 ] - [ 0.0003558100000000, -0.0002489300000000, 0.0002063100000000 ] - [ 0.0000488100000000, -0.0000329100000000, 0.0000353200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002574000000000, 0.0007363200000000, 0.0001010000000000 ] - [ -0.0001516000000000, -0.0002608400000000, 0.0001553600000000 ] - [ -0.0003090800000000, 0.0005312700000000, 0.0004398200000000 ] - [ 0.0000111300000000, -0.0004363000000000, 0.0000347600000000 ] - [ -0.0000806500000000, -0.0012468300000000, 0.0008969900000000 ] - [ -0.0007394900000000, -0.0010205600000000, -0.0010075800000000 ] - [ -0.0009371000000000, 0.0003129400000000, 0.0004704400000000 ] - [ 0.0001498500000000, -0.0004544400000000, -0.0000294600000000 ] - [ -0.0000638300000000, 0.0009098800000000, -0.0007706300000000 ] - [ 0.0001282400000000, -0.0002195200000000, 0.0000169700000000 ] - [ 0.0000806500000000, -0.0012468300000000, -0.0008969900000000 ] - [ 0.0007394900000000, -0.0010205600000000, 0.0010075800000000 ] - [ 0.0000638300000000, 0.0009098800000000, 0.0007706300000000 ] - [ -0.0001282400000000, -0.0002195200000000, -0.0000169700000000 ] - [ 0.0009371000000000, 0.0003129400000000, -0.0004704400000000 ] - [ -0.0001498500000000, -0.0004544400000000, 0.0000294600000000 ] - [ 0.0012844600000000, 0.0038687800000000, 0.0058686400000000 ] - [ 0.0000310300000000, -0.0007220200000000, -0.0000470100000000 ] - [ -0.0012844600000000, 0.0038687800000000, -0.0058686400000000 ] - [ -0.0000310300000000, -0.0007220200000000, 0.0000470100000000 ] - [ -0.0002574000000000, 0.0007363200000000, -0.0001010000000000 ] - [ 0.0001516000000000, -0.0002608400000000, -0.0001553600000000 ] - [ 0.0003090800000000, 0.0005312700000000, -0.0004398200000000 ] - [ -0.0000111300000000, -0.0004363000000000, -0.0000347600000000 ] - [ 0.0000623000000000, 0.0003181500000000, 0.0006116600000000 ] - [ -0.0002008200000000, -0.0003132900000000, 0.0000949600000000 ] - [ 0.0001309600000000, -0.0002117500000000, -0.0002859700000000 ] - [ 0.0000244600000000, -0.0001834500000000, 0.0002726100000000 ] - [ 0.0001205100000000, 0.0012190000000000, 0.0002933100000000 ] - [ -0.0002444200000000, -0.0006455900000000, -0.0000347100000000 ] - [ 0.0023758000000000, 0.0071501300000000, 0.0001725900000000 ] - [ 0.0001805400000000, -0.0005205300000000, -0.0001813700000000 ] - [ 0.0003219800000000, 0.0003116600000000, 0.0005998500000000 ] - [ 0.0001317200000000, -0.0001680000000000, -0.0000992500000000 ] - [ -0.0001205100000000, 0.0012190000000000, -0.0002933100000000 ] - [ 0.0002444200000000, -0.0006455900000000, 0.0000347100000000 ] - [ -0.0003219800000000, 0.0003116600000000, -0.0005998500000000 ] - [ -0.0001317200000000, -0.0001680000000000, 0.0000992500000000 ] - [ -0.0023758000000000, 0.0071501300000000, -0.0001725900000000 ] - [ -0.0001805400000000, -0.0005205300000000, 0.0001813700000000 ] - [ 0.0000385900000000, -0.0004693100000000, -0.0002736100000000 ] - [ -0.0003691000000000, -0.0006986500000000, -0.0002449200000000 ] - [ -0.0000385900000000, -0.0004693100000000, 0.0002736100000000 ] - [ 0.0003691000000000, -0.0006986500000000, 0.0002449200000000 ] - [ -0.0000623000000000, 0.0003181500000000, -0.0006116600000000 ] - [ 0.0002008200000000, -0.0003132900000000, -0.0000949600000000 ] - [ -0.0001309600000000, -0.0002117500000000, 0.0002859700000000 ] - [ -0.0000244600000000, -0.0001834500000000, -0.0002726100000000 ] - [ 0.0024553200000000, 0.0026727600000000, -0.0003108100000000 ] - [ -0.0000895600000000, 0.0006386700000000, -0.0001710900000000 ] - [ 0.0000447700000000, -0.0009309900000000, -0.0002848000000000 ] - [ -0.0000015900000000, 0.0003721200000000, 0.0001304100000000 ] - [ -0.0000447700000000, -0.0009309900000000, 0.0002848000000000 ] - [ 0.0000015900000000, 0.0003721200000000, -0.0001304100000000 ] - [ -0.0024553200000000, 0.0026727600000000, 0.0003108100000000 ] - [ 0.0000895600000000, 0.0006386700000000, 0.0001710900000000 ] - [ 0.0031131100000000, -0.0009160500000000, -0.0025980600000000 ] - [ -0.0000310700000000, 0.0004984900000000, 0.0000421300000000 ] - [ 0.0000011500000000, 0.0003304300000000, 0.0006577300000000 ] - [ -0.0001313300000000, 0.0000959300000000, -0.0003255600000000 ] - [ -0.0000011500000000, 0.0003304300000000, -0.0006577300000000 ] - [ 0.0001313300000000, 0.0000959300000000, 0.0003255600000000 ] - [ -0.0031131100000000, -0.0009160500000000, 0.0025980600000000 ] - [ 0.0000310700000000, 0.0004984900000000, -0.0000421300000000 ] - [ 0.0000000000000000, 0.0000078900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001063000000000, 0.0000000000000000 ] - [ -0.0016133600000000, -0.0008267000000000, 0.0004413700000000 ] - [ -0.0000500100000000, 0.0002594200000000, -0.0000070000000000 ] - [ 0.0000268400000000, -0.0001957600000000, -0.0000829800000000 ] - [ -0.0000146400000000, 0.0001386400000000, 0.0001699000000000 ] - [ 0.0000000000000000, 0.0069713300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005732900000000, 0.0000000000000000 ] - [ -0.0000602900000000, -0.0000255000000000, 0.0001274800000000 ] - [ -0.0000145900000000, 0.0003568000000000, -0.0001771600000000 ] - [ 0.0002665800000000, 0.0000782600000000, -0.0004775600000000 ] - [ -0.0000643700000000, 0.0000657700000000, -0.0000229000000000 ] - [ 0.0000000000000000, -0.0388627600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002359800000000, 0.0000000000000000 ] - [ -0.0002665800000000, 0.0000782600000000, 0.0004775600000000 ] - [ 0.0000643700000000, 0.0000657700000000, 0.0000229000000000 ] - [ 0.0000000000000000, -0.0001832500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001445900000000, 0.0000000000000000 ] - [ 0.0000602900000000, -0.0000255000000000, -0.0001274800000000 ] - [ 0.0000145900000000, 0.0003568000000000, 0.0001771600000000 ] - [ 0.0000000000000000, -0.0000497000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002039100000000, 0.0000000000000000 ] - [ -0.0003156600000000, -0.0006410900000000, -0.0009114500000000 ] - [ 0.0000009000000000, -0.0000016200000000, 0.0000209400000000 ] - [ 0.0016133600000000, -0.0008267000000000, -0.0004413700000000 ] - [ 0.0000500100000000, 0.0002594200000000, 0.0000070000000000 ] - [ 0.0001152900000000, 0.0001122700000000, 0.0003975600000000 ] - [ 0.0001602500000000, 0.0001985400000000, -0.0000369600000000 ] - [ 0.0000000000000000, 0.0005552500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0088625800000000, 0.0000000000000000 ] - [ 0.0008341600000000, -0.0011234400000000, -0.0007798800000000 ] - [ -0.0000696400000000, 0.0002891400000000, 0.0000568100000000 ] - [ 0.0003156600000000, -0.0006410900000000, 0.0009114500000000 ] - [ -0.0000009000000000, -0.0000016200000000, -0.0000209400000000 ] - [ -0.0008341600000000, -0.0011234400000000, 0.0007798800000000 ] - [ 0.0000696400000000, 0.0002891400000000, -0.0000568100000000 ] - [ -0.0000268400000000, -0.0001957600000000, 0.0000829800000000 ] - [ 0.0000146400000000, 0.0001386400000000, -0.0001699000000000 ] - [ -0.0001152900000000, 0.0001122700000000, -0.0003975600000000 ] - [ -0.0001602500000000, 0.0001985400000000, 0.0000369600000000 ] - [ 0.0000000000000000, -0.0002091200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001360900000000, 0.0000000000000000 ] - [ 0.0000902500000000, 0.0002390200000000, -0.0000787500000000 ] - [ -0.0002540900000000, 0.0004034900000000, -0.0000233300000000 ] - [ -0.0000805600000000, -0.0002517700000000, 0.0000446500000000 ] - [ -0.0000171800000000, 0.0001561100000000, 0.0001816100000000 ] - [ 0.0000000000000000, -0.0002079500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001270900000000, 0.0000000000000000 ] - [ -0.0007706900000000, 0.0006899800000000, -0.0010499200000000 ] - [ 0.0000108500000000, 0.0003897100000000, -0.0001137400000000 ] - [ -0.0000986800000000, -0.0003173700000000, 0.0000582700000000 ] - [ -0.0000537400000000, 0.0000764100000000, -0.0000983700000000 ] - [ 0.0000000000000000, 0.0000471800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000481400000000, 0.0000000000000000 ] - [ 0.0000986800000000, -0.0003173700000000, -0.0000582700000000 ] - [ 0.0000537400000000, 0.0000764100000000, 0.0000983700000000 ] - [ 0.0000000000000000, 0.0001350900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000559500000000, 0.0000000000000000 ] - [ 0.0007706900000000, 0.0006899800000000, 0.0010499200000000 ] - [ -0.0000108500000000, 0.0003897100000000, 0.0001137400000000 ] - [ 0.0000000000000000, -0.0001193900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002501900000000, 0.0000000000000000 ] - [ -0.0000237500000000, -0.0001214900000000, -0.0000470900000000 ] - [ 0.0000062000000000, -0.0001405500000000, 0.0000601900000000 ] - [ -0.0000902500000000, 0.0002390200000000, 0.0000787500000000 ] - [ 0.0002540900000000, 0.0004034900000000, 0.0000233300000000 ] - [ -0.0002966600000000, -0.0002779300000000, -0.0001136100000000 ] - [ 0.0001305200000000, 0.0001684600000000, 0.0000648800000000 ] - [ 0.0000000000000000, -0.0002921000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001426500000000, 0.0000000000000000 ] - [ -0.0001403100000000, 0.0002062200000000, 0.0000526800000000 ] - [ -0.0000630300000000, 0.0002069500000000, 0.0001239200000000 ] - [ 0.0000237500000000, -0.0001214900000000, 0.0000470900000000 ] - [ -0.0000062000000000, -0.0001405500000000, -0.0000601900000000 ] - [ 0.0001403100000000, 0.0002062200000000, -0.0000526800000000 ] - [ 0.0000630300000000, 0.0002069500000000, -0.0001239200000000 ] - [ 0.0000805600000000, -0.0002517700000000, -0.0000446500000000 ] - [ 0.0000171800000000, 0.0001561100000000, -0.0001816100000000 ] - [ 0.0002966600000000, -0.0002779300000000, 0.0001136100000000 ] - [ -0.0001305200000000, 0.0001684600000000, -0.0000648800000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004002400000000, -0.0004394800000000, 0.0001891300000000 ] - [ 0.0000074700000000, 0.0005496300000000, 0.0001289000000000 ] - [ 0.0002989200000000, -0.0006053500000000, -0.0003352700000000 ] - [ -0.0000173900000000, 0.0003606900000000, 0.0000665500000000 ] - [ -0.0003167900000000, 0.0008819100000000, -0.0009070600000000 ] - [ 0.0003395700000000, 0.0006505700000000, 0.0009948200000000 ] - [ 0.0009418400000000, -0.0002290900000000, -0.0005664800000000 ] - [ -0.0001457700000000, 0.0005280400000000, -0.0000699100000000 ] - [ 0.0004668100000000, -0.0005480600000000, 0.0007834000000000 ] - [ 0.0002736400000000, 0.0005870100000000, 0.0000008900000000 ] - [ 0.0003167900000000, 0.0008819100000000, 0.0009070600000000 ] - [ -0.0003395700000000, 0.0006505700000000, -0.0009948200000000 ] - [ -0.0004668100000000, -0.0005480600000000, -0.0007834000000000 ] - [ -0.0002736400000000, 0.0005870100000000, -0.0000008900000000 ] - [ -0.0009418400000000, -0.0002290900000000, 0.0005664800000000 ] - [ 0.0001457700000000, 0.0005280400000000, 0.0000699100000000 ] - [ -0.0010305100000000, -0.0040584300000000, -0.0059784100000000 ] - [ 0.0001113100000000, 0.0004321200000000, -0.0002373900000000 ] - [ 0.0010305100000000, -0.0040584300000000, 0.0059784100000000 ] - [ -0.0001113100000000, 0.0004321200000000, 0.0002373900000000 ] - [ 0.0004002400000000, -0.0004394800000000, -0.0001891300000000 ] - [ -0.0000074700000000, 0.0005496300000000, -0.0001289000000000 ] - [ -0.0002989200000000, -0.0006053500000000, 0.0003352700000000 ] - [ 0.0000173900000000, 0.0003606900000000, -0.0000665500000000 ] - [ -0.0002019800000000, -0.0000275500000000, -0.0003256200000000 ] - [ 0.0000586600000000, 0.0006055400000000, 0.0001908600000000 ] - [ -0.0001384500000000, 0.0001357000000000, 0.0003874800000000 ] - [ -0.0000309700000000, 0.0001064200000000, -0.0001708100000000 ] - [ -0.0005188800000000, -0.0015865200000000, -0.0003139900000000 ] - [ -0.0001571400000000, 0.0002767500000000, 0.0000146800000000 ] - [ -0.0025461400000000, -0.0071762300000000, -0.0002114900000000 ] - [ -0.0001737200000000, 0.0005978500000000, 0.0000786900000000 ] - [ 0.0000817100000000, 0.0000564100000000, -0.0005822500000000 ] - [ 0.0002703700000000, 0.0005319900000000, 0.0001181900000000 ] - [ 0.0005188800000000, -0.0015865200000000, 0.0003139900000000 ] - [ 0.0001571400000000, 0.0002767500000000, -0.0000146800000000 ] - [ -0.0000817100000000, 0.0000564100000000, 0.0005822500000000 ] - [ -0.0002703700000000, 0.0005319900000000, -0.0001181900000000 ] - [ 0.0025461400000000, -0.0071762300000000, 0.0002114900000000 ] - [ 0.0001737200000000, 0.0005978500000000, -0.0000786900000000 ] - [ 0.0001037600000000, 0.0001809300000000, -0.0000117200000000 ] - [ 0.0005093900000000, 0.0004060100000000, -0.0000382000000000 ] - [ -0.0001037600000000, 0.0001809300000000, 0.0000117200000000 ] - [ -0.0005093900000000, 0.0004060100000000, 0.0000382000000000 ] - [ 0.0002019800000000, -0.0000275500000000, 0.0003256200000000 ] - [ -0.0000586600000000, 0.0006055400000000, -0.0001908600000000 ] - [ 0.0001384500000000, 0.0001357000000000, -0.0003874800000000 ] - [ 0.0000309700000000, 0.0001064200000000, 0.0001708100000000 ] - [ -0.0023882200000000, -0.0025391900000000, 0.0001212900000000 ] - [ 0.0001558800000000, -0.0005054900000000, -0.0000100800000000 ] - [ -0.0001060400000000, 0.0007987900000000, 0.0004655700000000 ] - [ -0.0000624900000000, -0.0005053900000000, 0.0000515600000000 ] - [ 0.0001060400000000, 0.0007987900000000, -0.0004655700000000 ] - [ 0.0000624900000000, -0.0005053900000000, -0.0000515600000000 ] - [ 0.0023882200000000, -0.0025391900000000, -0.0001212900000000 ] - [ -0.0001558800000000, -0.0005054900000000, 0.0000100800000000 ] - [ -0.0030518700000000, 0.0010530000000000, 0.0024239200000000 ] - [ 0.0000952000000000, -0.0003666000000000, -0.0002219000000000 ] - [ -0.0000656500000000, -0.0004635400000000, -0.0004749900000000 ] - [ 0.0000653600000000, -0.0002266500000000, 0.0005086600000000 ] - [ 0.0000656500000000, -0.0004635400000000, 0.0004749900000000 ] - [ -0.0000653600000000, -0.0002266500000000, -0.0005086600000000 ] - [ 0.0030518700000000, 0.0010530000000000, -0.0024239200000000 ] - [ -0.0000952000000000, -0.0003666000000000, 0.0002219000000000 ] - [ 0.0000000000000000, 0.0000085500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000910700000000, 0.0000000000000000 ] - [ 0.0015647300000000, 0.0008736700000000, -0.0002624000000000 ] - [ -0.0000061700000000, -0.0001991200000000, 0.0001875100000000 ] - [ -0.0000821800000000, 0.0001346400000000, 0.0002628700000000 ] - [ -0.0000408300000000, -0.0001986700000000, 0.0000105600000000 ] - [ 0.0000000000000000, -0.0068212900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005960700000000, 0.0000000000000000 ] - [ 0.0000302300000000, 0.0003735700000000, -0.0002811100000000 ] - [ -0.0000154100000000, -0.0000075200000000, 0.0000231500000000 ] - [ -0.0002573400000000, -0.0002696000000000, 0.0003199300000000 ] - [ 0.0000721500000000, -0.0002563200000000, -0.0001330800000000 ] - [ 0.0000000000000000, 0.0388515800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003810000000000, 0.0000000000000000 ] - [ 0.0002573400000000, -0.0002696000000000, -0.0003199300000000 ] - [ -0.0000721500000000, -0.0002563200000000, 0.0001330800000000 ] - [ 0.0000000000000000, 0.0002005300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001262700000000, 0.0000000000000000 ] - [ -0.0000302300000000, 0.0003735700000000, 0.0002811100000000 ] - [ 0.0000154100000000, -0.0000075200000000, -0.0000231500000000 ] - [ 0.0000000000000000, 0.0001925300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000583900000000, 0.0000000000000000 ] - [ 0.0002833000000000, 0.0002891200000000, 0.0007514100000000 ] - [ -0.0000315200000000, -0.0003476300000000, -0.0001755900000000 ] - [ -0.0015647300000000, 0.0008736700000000, 0.0002624000000000 ] - [ 0.0000061700000000, -0.0001991200000000, -0.0001875100000000 ] - [ -0.0001146500000000, -0.0001110200000000, -0.0003970300000000 ] - [ -0.0001602000000000, -0.0001984700000000, 0.0000360600000000 ] - [ 0.0000000000000000, -0.0005660200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0091341300000000, 0.0000000000000000 ] - [ -0.0008577000000000, 0.0013012400000000, 0.0009570300000000 ] - [ 0.0000622300000000, -0.0000980800000000, 0.0000980500000000 ] - [ -0.0002833000000000, 0.0002891200000000, -0.0007514100000000 ] - [ 0.0000315200000000, -0.0003476300000000, 0.0001755900000000 ] - [ 0.0008577000000000, 0.0013012400000000, -0.0009570300000000 ] - [ -0.0000622300000000, -0.0000980800000000, -0.0000980500000000 ] - [ 0.0000821800000000, 0.0001346400000000, -0.0002628700000000 ] - [ 0.0000408300000000, -0.0001986700000000, -0.0000105600000000 ] - [ 0.0001146500000000, -0.0001110200000000, 0.0003970300000000 ] - [ 0.0001602000000000, -0.0001984700000000, -0.0000360600000000 ] - [ 0.0000000000000000, 0.0002253600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001198900000000, 0.0000000000000000 ] - [ -0.0001438500000000, -0.0001795000000000, 0.0002596800000000 ] - [ 0.0001968000000000, -0.0003416800000000, 0.0002038100000000 ] - [ 0.0000251000000000, 0.0001921000000000, 0.0001365800000000 ] - [ -0.0000374300000000, -0.0002159600000000, -0.0000008300000000 ] - [ 0.0000000000000000, 0.0001912400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001437000000000, 0.0000000000000000 ] - [ 0.0007478500000000, -0.0003434500000000, 0.0009012500000000 ] - [ -0.0000390900000000, -0.0000393400000000, -0.0000389000000000 ] - [ 0.0001060900000000, 0.0001279200000000, -0.0002130000000000 ] - [ 0.0000616200000000, -0.0002661500000000, -0.0000566700000000 ] - [ 0.0000000000000000, -0.0001932300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001922100000000, 0.0000000000000000 ] - [ -0.0001060900000000, 0.0001279200000000, 0.0002130000000000 ] - [ -0.0000616200000000, -0.0002661500000000, 0.0000566700000000 ] - [ 0.0000000000000000, -0.0001185100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000384800000000, 0.0000000000000000 ] - [ -0.0007478500000000, -0.0003434500000000, -0.0009012500000000 ] - [ 0.0000390900000000, -0.0000393400000000, 0.0000389000000000 ] - [ 0.0000000000000000, 0.0002647700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001045900000000, 0.0000000000000000 ] - [ -0.0000051100000000, -0.0002289800000000, -0.0001071200000000 ] - [ -0.0000354200000000, -0.0002081900000000, -0.0002132900000000 ] - [ 0.0001438500000000, -0.0001795000000000, -0.0002596800000000 ] - [ -0.0001968000000000, -0.0003416800000000, -0.0002038100000000 ] - [ 0.0002962600000000, 0.0002771800000000, 0.0001137900000000 ] - [ -0.0001306300000000, -0.0001687500000000, -0.0000646200000000 ] - [ 0.0000000000000000, 0.0002723600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001593700000000, 0.0000000000000000 ] - [ 0.0001333300000000, -0.0000174000000000, 0.0001018500000000 ] - [ 0.0000548500000000, -0.0000167400000000, 0.0000309800000000 ] - [ 0.0000051100000000, -0.0002289800000000, 0.0001071200000000 ] - [ 0.0000354200000000, -0.0002081900000000, 0.0002132900000000 ] - [ -0.0001333300000000, -0.0000174000000000, -0.0001018500000000 ] - [ -0.0000548500000000, -0.0000167400000000, -0.0000309800000000 ] - [ -0.0000251000000000, 0.0001921000000000, -0.0001365800000000 ] - [ 0.0000374300000000, -0.0002159600000000, 0.0000008300000000 ] - [ -0.0002962600000000, 0.0002771800000000, -0.0001137900000000 ] - [ 0.0001306300000000, -0.0001687500000000, 0.0000646200000000 ]- atom: 77 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ 0.0006512700000000, -0.0007730800000000, -0.0006697200000000 ] - [ -0.0000627900000000, 0.0002123500000000, 0.0000857400000000 ] - [ 0.0003116500000000, -0.0000756000000000, -0.0006619600000000 ] - [ -0.0000126500000000, -0.0000193300000000, -0.0000173500000000 ] - [ 0.0002897800000000, 0.0006336800000000, 0.0001815800000000 ] - [ -0.0003042200000000, -0.0004879700000000, 0.0002454200000000 ] - [ -0.0007961500000000, 0.0004341700000000, 0.0007763400000000 ] - [ 0.0000632800000000, -0.0000721100000000, 0.0001445600000000 ] - [ 0.0005115200000000, -0.0004838000000000, -0.0011417300000000 ] - [ 0.0002440900000000, 0.0002090600000000, -0.0000497300000000 ] - [ 0.0006822500000000, -0.0009845800000000, 0.0001854300000000 ] - [ 0.0000860300000000, 0.0001343300000000, 0.0002467900000000 ] - [ 0.0001274000000000, 0.0008461000000000, -0.0011361800000000 ] - [ -0.0001445600000000, 0.0001449300000000, -0.0000482100000000 ] - [ -0.0008102500000000, -0.0003578900000000, 0.0008838000000000 ] - [ 0.0000484200000000, 0.0001433200000000, 0.0002547100000000 ] - [ 0.0004351000000000, 0.0021165900000000, 0.0077262200000000 ] - [ 0.0000601700000000, -0.0001571000000000, -0.0000976300000000 ] - [ 0.0001833400000000, -0.0022877100000000, 0.0078925400000000 ] - [ -0.0000825300000000, -0.0001412300000000, 0.0001926500000000 ] - [ 0.0007855100000000, 0.0010608400000000, -0.0009620100000000 ] - [ 0.0000808300000000, 0.0000870600000000, -0.0002053400000000 ] - [ 0.0003234100000000, 0.0000040100000000, -0.0007703900000000 ] - [ 0.0000021400000000, -0.0000504700000000, -0.0001267600000000 ] - [ -0.0000310800000000, 0.0003091100000000, -0.0001921600000000 ] - [ -0.0001950900000000, -0.0000502300000000, -0.0000173300000000 ] - [ 0.0001169400000000, -0.0001503000000000, -0.0003283400000000 ] - [ -0.0000687100000000, 0.0000597200000000, -0.0003442200000000 ] - [ 0.0004549900000000, 0.0003880500000000, 0.0004521200000000 ] - [ -0.0002057000000000, -0.0001998400000000, 0.0000356400000000 ] - [ -0.0035735100000000, -0.0040553500000000, 0.0016783300000000 ] - [ 0.0000602500000000, 0.0000956900000000, 0.0000947400000000 ] - [ 0.0000687100000000, 0.0002658700000000, -0.0009783700000000 ] - [ 0.0001968600000000, 0.0000882500000000, -0.0000606500000000 ] - [ 0.0008469600000000, -0.0007416500000000, 0.0004588900000000 ] - [ 0.0001848100000000, -0.0001529200000000, 0.0000336900000000 ] - [ -0.0003232400000000, 0.0000890600000000, -0.0009782000000000 ] - [ -0.0001937800000000, 0.0002660600000000, -0.0000602100000000 ] - [ -0.0034592800000000, 0.0040325900000000, 0.0017719300000000 ] - [ 0.0000440300000000, -0.0000233200000000, 0.0002027800000000 ] - [ -0.0000943900000000, -0.0002187900000000, -0.0000404600000000 ] - [ 0.0004901800000000, 0.0004231600000000, 0.0002404600000000 ] - [ -0.0002401900000000, -0.0000777200000000, 0.0002497800000000 ] - [ 0.0003488100000000, -0.0007255400000000, 0.0005311500000000 ] - [ 0.0001116100000000, -0.0000104400000000, -0.0004827000000000 ] - [ -0.0000522200000000, 0.0003494800000000, -0.0003081400000000 ] - [ 0.0001341600000000, 0.0000791500000000, -0.0004370400000000 ] - [ -0.0000506100000000, -0.0001304400000000, -0.0004533000000000 ] - [ 0.0027426700000000, 0.0033764100000000, -0.0003753100000000 ] - [ 0.0000862900000000, 0.0000311200000000, -0.0001888700000000 ] - [ -0.0008069400000000, 0.0001620900000000, 0.0006248000000000 ] - [ -0.0000545500000000, -0.0000856900000000, 0.0001225700000000 ] - [ -0.0007354800000000, -0.0002984000000000, 0.0004480400000000 ] - [ 0.0000080400000000, -0.0000483900000000, -0.0000561200000000 ] - [ 0.0026714300000000, -0.0032320300000000, -0.0001935500000000 ] - [ 0.0000244200000000, 0.0001022200000000, -0.0000098500000000 ] - [ -0.0024707300000000, 0.0001216500000000, 0.0013147700000000 ] - [ 0.0000728200000000, 0.0000535100000000, -0.0001450700000000 ] - [ -0.0000625600000000, 0.0002918400000000, 0.0004520200000000 ] - [ -0.0000665000000000, -0.0002068200000000, 0.0001621900000000 ] - [ 0.0000001400000000, -0.0004258400000000, 0.0002756900000000 ] - [ -0.0000038400000000, 0.0000721100000000, -0.0000155800000000 ] - [ -0.0025368900000000, 0.0000134600000000, 0.0014979800000000 ] - [ 0.0000093000000000, 0.0000803300000000, 0.0000346900000000 ] - [ 0.0000793900000000, 0.0000070400000000, 0.0002951700000000 ] - [ -0.0000670100000000, 0.0000075300000000, 0.0000489600000000 ] - [ -0.0010988000000000, 0.0008731200000000, -0.0010107400000000 ] - [ -0.0000115100000000, 0.0000216200000000, 0.0000683400000000 ] - [ -0.0001935400000000, 0.0001235900000000, 0.0003893900000000 ] - [ -0.0000412500000000, -0.0000240300000000, 0.0001337500000000 ] - [ 0.0000482200000000, -0.0000256400000000, -0.0012984700000000 ] - [ -0.0000054500000000, -0.0000092000000000, -0.0000421700000000 ] - [ -0.0001153300000000, 0.0003474000000000, -0.0003286700000000 ] - [ -0.0000217000000000, 0.0001196900000000, -0.0000775700000000 ] - [ -0.0000729500000000, -0.0004807200000000, 0.0001433600000000 ] - [ 0.0000175800000000, -0.0000331000000000, -0.0000780700000000 ] - [ 0.0126387800000000, -0.0001443000000000, -0.0316131000000000 ] - [ -0.0000133900000000, -0.0000732200000000, -0.0000165900000000 ] - [ -0.0000781300000000, 0.0002890300000000, 0.0002993400000000 ] - [ 0.0000115900000000, -0.0001581000000000, 0.0000785400000000 ] - [ 0.0002119700000000, 0.0000105900000000, 0.0010712700000000 ] - [ 0.0000082200000000, 0.0000096500000000, 0.0000227200000000 ] - [ -0.0000819800000000, 0.0000001900000000, -0.0001709800000000 ] - [ 0.0000112300000000, 0.0002271400000000, 0.0000773900000000 ] - [ -0.0000019300000000, 0.0000736000000000, 0.0002530400000000 ] - [ -0.0000052800000000, 0.0000728500000000, 0.0000468400000000 ] - [ 0.0002777900000000, -0.0000266900000000, 0.0006381400000000 ] - [ -0.0000161500000000, -0.0001771200000000, -0.0000596700000000 ] - [ -0.0010591400000000, -0.0008164600000000, -0.0011866000000000 ] - [ 0.0000412900000000, 0.0000395000000000, -0.0001120700000000 ] - [ 0.0003184000000000, 0.0003830900000000, 0.0002887900000000 ] - [ -0.0001086300000000, -0.0001263700000000, -0.0000183500000000 ] - [ -0.0001082200000000, -0.0000085900000000, -0.0001521800000000 ] - [ 0.0003705800000000, 0.0000089300000000, -0.0010581000000000 ] - [ -0.0041213500000000, -0.0011376800000000, 0.0068436200000000 ] - [ -0.0000137000000000, 0.0000964800000000, 0.0000715500000000 ] - [ 0.0003095200000000, -0.0003196900000000, 0.0007907100000000 ] - [ 0.0000165300000000, -0.0001702200000000, 0.0000952200000000 ] - [ -0.0042181900000000, 0.0013610100000000, 0.0068589400000000 ] - [ -0.0000076000000000, 0.0000942300000000, -0.0000854100000000 ] - [ -0.0001389000000000, -0.0001838500000000, 0.0002069600000000 ] - [ 0.0000119200000000, -0.0000376800000000, -0.0000466200000000 ] - [ 0.0003200100000000, -0.0003829500000000, 0.0002879700000000 ] - [ -0.0001087200000000, 0.0001259400000000, -0.0000185700000000 ] - [ 0.0000339500000000, 0.0000077300000000, 0.0002481400000000 ] - [ 0.0000049600000000, 0.0000074700000000, 0.0000223800000000 ] - [ 0.0000341500000000, 0.0001491500000000, -0.0000504500000000 ] - [ -0.0001636400000000, 0.0005127300000000, -0.0001767100000000 ] - [ -0.0001134200000000, 0.0000255000000000, 0.0002821400000000 ] - [ -0.0000399400000000, 0.0000312700000000, 0.0001521100000000 ] - [ -0.0002532000000000, -0.0000094700000000, -0.0003681100000000 ] - [ 0.0000010600000000, -0.0000100300000000, -0.0000225300000000 ] - [ 0.0006273000000000, -0.0005298200000000, 0.0000293300000000 ] - [ -0.0000052700000000, 0.0002692100000000, -0.0001228000000000 ] - [ -0.0001473900000000, -0.0000821400000000, -0.0000048600000000 ] - [ 0.0000462500000000, -0.0001311600000000, -0.0000815200000000 ] - [ 0.0001578200000000, -0.0000731300000000, -0.0001073800000000 ] - [ -0.0001618200000000, -0.0000728500000000, -0.0002040000000000 ] - [ -0.0001531600000000, -0.0001080800000000, 0.0001514200000000 ] - [ 0.0000403400000000, -0.0000600900000000, 0.0000753700000000 ] - [ 0.0001152200000000, 0.0000097500000000, 0.0002325300000000 ] - [ 0.0000410100000000, 0.0000099700000000, 0.0000836000000000 ] - [ 0.0006549700000000, 0.0008737100000000, 0.0001827400000000 ] - [ 0.0000273600000000, 0.0000774700000000, 0.0000323000000000 ] - [ -0.0000642300000000, 0.0000726900000000, 0.0001440900000000 ] - [ 0.0000409900000000, 0.0000729900000000, 0.0000697300000000 ] - [ -0.0000094600000000, -0.0001879800000000, -0.0000166400000000 ] - [ 0.0000072500000000, -0.0000250700000000, 0.0001295300000000 ] - [ 0.0000878800000000, -0.0000880300000000, -0.0002315500000000 ] - [ -0.0001114100000000, -0.0004543100000000, -0.0003584900000000 ] - [ 0.0000215900000000, 0.0000134500000000, 0.0000370100000000 ] - [ 0.0000015100000000, 0.0000077400000000, -0.0000090200000000 ] - [ 0.0000033000000000, -0.0000092300000000, -0.0002880700000000 ] - [ -0.0000069700000000, -0.0000073200000000, -0.0000114300000000 ] - [ 0.0001772700000000, -0.0000499600000000, 0.0000963100000000 ] - [ -0.0001133700000000, 0.0002134100000000, 0.0000989600000000 ] - [ 0.0000226400000000, -0.0001592500000000, 0.0001381300000000 ] - [ 0.0000396000000000, -0.0003225200000000, 0.0002845000000000 ] - [ 0.0001836900000000, 0.0002406900000000, -0.0000609100000000 ] - [ -0.0001072100000000, -0.0000226700000000, -0.0000578900000000 ] - [ -0.0000606700000000, -0.0000873300000000, 0.0001019800000000 ] - [ 0.0000131600000000, -0.0000929300000000, -0.0000283500000000 ] - [ 0.0000209600000000, -0.0000129600000000, 0.0000359300000000 ] - [ 0.0000015800000000, -0.0000079700000000, -0.0000091200000000 ]- atom: 91 displacement: [ 0.0099999986220908, 0.0000000000000000, -0.0000052495887392 ] forces: - [ 0.0001872600000000, 0.0001410700000000, 0.0003903500000000 ] - [ 0.0002345500000000, -0.0000510900000000, -0.0000731200000000 ] - [ -0.0001894400000000, 0.0005182900000000, -0.0002166200000000 ] - [ -0.0001548500000000, -0.0005414200000000, -0.0002765800000000 ] - [ -0.0001251900000000, -0.0005198000000000, -0.0000547100000000 ] - [ 0.0007806500000000, -0.0018988200000000, -0.0003847300000000 ] - [ -0.0001434200000000, -0.0004698900000000, -0.0003837500000000 ] - [ -0.0001729800000000, 0.0005893200000000, -0.0003226000000000 ] - [ 0.0013307200000000, -0.0014425600000000, -0.0004657500000000 ] - [ 0.0002639900000000, -0.0001679300000000, -0.0000512400000000 ] - [ 0.0002929000000000, -0.0004752700000000, 0.0000027400000000 ] - [ 0.0007430200000000, 0.0001585000000000, 0.0000356600000000 ] - [ 0.0003471000000000, 0.0005171900000000, 0.0000275000000000 ] - [ -0.0000988800000000, -0.0001233200000000, 0.0000009300000000 ] - [ -0.0002064800000000, -0.0001104800000000, -0.0000891100000000 ] - [ -0.0009832600000000, 0.0002459900000000, 0.0008160800000000 ] - [ 0.0003789800000000, -0.0003420600000000, -0.0003628300000000 ] - [ 0.0003265000000000, -0.0001518200000000, 0.0001003900000000 ] - [ 0.0006088400000000, -0.0001592400000000, 0.0001823500000000 ] - [ 0.0003171600000000, -0.0011764400000000, 0.0006838200000000 ] - [ 0.0004695000000000, -0.0008866500000000, 0.0003929700000000 ] - [ 0.0007542500000000, 0.0001305100000000, -0.0001083200000000 ] - [ -0.0009746200000000, 0.0001754000000000, 0.0007154500000000 ] - [ -0.0001931100000000, -0.0001811200000000, -0.0001953000000000 ] - [ -0.0005375300000000, 0.0005686500000000, -0.0002058000000000 ] - [ -0.0001849800000000, -0.0001400400000000, 0.0000937700000000 ] - [ 0.0000537600000000, -0.0003699000000000, 0.0001238400000000 ] - [ 0.0000975700000000, 0.0004956200000000, 0.0007281600000000 ] - [ -0.0012019900000000, -0.0009643200000000, -0.0007003800000000 ] - [ -0.0003316700000000, -0.0003197100000000, 0.0000588600000000 ] - [ 0.0001042700000000, 0.0005684900000000, 0.0006227100000000 ] - [ 0.0000695700000000, -0.0003005000000000, 0.0000194900000000 ] - [ 0.0000635500000000, 0.0000369100000000, 0.0000625600000000 ] - [ -0.0008047300000000, -0.0006068600000000, -0.0006889800000000 ] - [ -0.0000423800000000, -0.0000192500000000, -0.0002598500000000 ] - [ 0.0000987900000000, -0.0003855200000000, 0.0000140400000000 ] - [ -0.0002958900000000, -0.0000296300000000, 0.0000094100000000 ] - [ -0.0004369500000000, 0.0003362200000000, -0.0002634600000000 ] - [ 0.0029773200000000, 0.0004612100000000, -0.0003762400000000 ] - [ 0.0000883700000000, -0.0002803800000000, 0.0001676100000000 ] - [ -0.0000392100000000, -0.0004314700000000, -0.0001949100000000 ] - [ -0.0003935900000000, 0.0002771300000000, -0.0004962600000000 ] - [ -0.0000789100000000, -0.0005183700000000, 0.0001491700000000 ] - [ -0.0017758600000000, 0.0015662800000000, -0.0003213600000000 ] - [ -0.0016362000000000, 0.0018488400000000, -0.0006079700000000 ] - [ 0.0000674000000000, -0.0002264800000000, -0.0001399200000000 ] - [ 0.0001057000000000, -0.0003506000000000, 0.0000634700000000 ] - [ 0.0029375500000000, 0.0003405900000000, -0.0005440300000000 ] - [ -0.0000651300000000, 0.0004240200000000, 0.0001097100000000 ] - [ -0.0001792700000000, -0.0002048800000000, 0.0000464100000000 ] - [ -0.0002417900000000, -0.0003409200000000, 0.0002252000000000 ] - [ -0.0001277400000000, 0.0002903300000000, 0.0002882400000000 ] - [ 0.0016969900000000, 0.0027715400000000, -0.0001516500000000 ] - [ -0.0000152800000000, 0.0001193700000000, -0.0001154000000000 ] - [ -0.0000770500000000, 0.0002520000000000, 0.0000632800000000 ] - [ 0.0016257600000000, 0.0028795900000000, 0.0000220400000000 ] - [ 0.0002202400000000, -0.0003141700000000, -0.0001644500000000 ] - [ 0.0000785700000000, 0.0003716000000000, -0.0000825400000000 ] - [ 0.0000149800000000, 0.0002376700000000, 0.0000961100000000 ] - [ 0.0001531300000000, -0.0004484100000000, 0.0000135400000000 ] - [ -0.0000594600000000, 0.0002325600000000, -0.0001478200000000 ] - [ 0.0044216500000000, 0.0009992300000000, 0.0016745600000000 ] - [ 0.0043915700000000, 0.0011525200000000, 0.0018816400000000 ] - [ -0.0001237400000000, 0.0003668900000000, 0.0000308200000000 ] - [ -0.0005618600000000, -0.0002273700000000, -0.0018850400000000 ] - [ -0.0000272200000000, 0.0001134600000000, -0.0000068300000000 ] - [ -0.0000043800000000, -0.0001411300000000, 0.0000929500000000 ] - [ 0.0000346300000000, 0.0002689400000000, -0.0001165400000000 ] - [ -0.0000465900000000, -0.0000405100000000, 0.0000857500000000 ] - [ 0.0001199100000000, 0.0010045000000000, 0.0006488900000000 ] - [ -0.0000453100000000, 0.0000704300000000, -0.0000057400000000 ] - [ -0.0002594000000000, 0.0000912000000000, -0.0004984700000000 ] - [ -0.0000082400000000, 0.0001798300000000, -0.0000865600000000 ] - [ 0.0000000300000000, 0.0002236200000000, -0.0001566800000000 ] - [ -0.0002334600000000, 0.0002202500000000, -0.0000941900000000 ] - [ -0.0004414300000000, 0.0017266700000000, -0.0000205900000000 ] - [ -0.0004600300000000, 0.0000398900000000, 0.0001936300000000 ] - [ -0.0001109900000000, 0.0000859400000000, -0.0001473500000000 ] - [ -0.0000370200000000, -0.0000287400000000, 0.0000976300000000 ] - [ -0.0001012400000000, -0.0002000300000000, 0.0000503800000000 ] - [ -0.0002599500000000, 0.0001095200000000, -0.0005002000000000 ] - [ -0.0000452800000000, 0.0000898300000000, -0.0000063400000000 ] - [ 0.0000095200000000, 0.0005107700000000, 0.0003342000000000 ] - [ -0.0000285400000000, -0.0000203600000000, -0.0000098700000000 ] - [ -0.0001114000000000, 0.0002344200000000, -0.0001466300000000 ] - [ -0.0004600800000000, 0.0001893100000000, 0.0001951300000000 ] - [ -0.0000627300000000, -0.0003664900000000, -0.0001651000000000 ] - [ -0.0000238700000000, 0.0001641700000000, 0.0001770000000000 ] - [ 0.0001729600000000, 0.0010700900000000, 0.0004694200000000 ] - [ 0.0000064000000000, 0.0000215200000000, -0.0000955100000000 ] - [ -0.0188849900000000, -0.0091717700000000, 0.0000921800000000 ] - [ 0.0000737100000000, 0.0001394100000000, 0.0000232300000000 ] - [ -0.0000270900000000, 0.0001008600000000, -0.0000069600000000 ] - [ -0.0005488000000000, -0.0002385000000000, -0.0019080600000000 ] - [ -0.0004593600000000, 0.0018978200000000, 0.0001383400000000 ] - [ -0.0002389000000000, 0.0004116900000000, 0.0000634700000000 ] - [ 0.0000346800000000, -0.0001216300000000, -0.0000019700000000 ] - [ 0.0000267100000000, -0.0001654600000000, 0.0000690200000000 ] - [ -0.0000962400000000, -0.0000103100000000, -0.0001081500000000 ] - [ -0.0000322400000000, 0.0001618900000000, -0.0000607800000000 ] - [ 0.0000869600000000, 0.0002077100000000, -0.0002982500000000 ] - [ 0.0000480200000000, -0.0002026900000000, -0.0000883900000000 ] - [ -0.0000270300000000, -0.0000111200000000, -0.0002518200000000 ] - [ -0.0001029200000000, 0.0001201900000000, -0.0000481100000000 ] - [ 0.0002074500000000, 0.0000563200000000, -0.0000597100000000 ] - [ 0.0002017300000000, 0.0001071100000000, 0.0001783000000000 ] - [ -0.0000621400000000, 0.0002168500000000, 0.0000481900000000 ] - [ 0.0003172300000000, -0.0007841100000000, 0.0009452700000000 ] - [ 0.0002131600000000, -0.0002266800000000, -0.0002927000000000 ] - [ -0.0000120200000000, 0.0000892700000000, 0.0001482500000000 ] - [ 0.0004386800000000, -0.0001126200000000, 0.0005017500000000 ] - [ 0.0000184400000000, 0.0000807800000000, 0.0000202000000000 ] - [ -0.0000123700000000, -0.0000768100000000, 0.0006294600000000 ] - [ -0.0000255900000000, 0.0002635200000000, -0.0001173400000000 ] - [ 0.0005806500000000, -0.0003304800000000, -0.0002681300000000 ] - [ -0.0000029900000000, 0.0000146100000000, -0.0000920800000000 ] - [ 0.0000492600000000, 0.0000566300000000, 0.0000159500000000 ] - [ 0.0003559100000000, -0.0003704500000000, 0.0001297600000000 ] - [ 0.0000455700000000, -0.0001738900000000, 0.0001612500000000 ] - [ 0.0000638600000000, 0.0000290300000000, 0.0001176500000000 ] - [ 0.0000188300000000, 0.0001000800000000, 0.0000191100000000 ] - [ 0.0004372900000000, -0.0000928500000000, 0.0004984800000000 ] - [ 0.0013900200000000, -0.0005107200000000, -0.0007145400000000 ] - [ 0.0000220400000000, 0.0003312900000000, 0.0001177500000000 ] - [ 0.0003563000000000, -0.0002225100000000, 0.0001300500000000 ] - [ 0.0000492400000000, 0.0002044500000000, 0.0000168200000000 ] - [ -0.0000135600000000, -0.0000137700000000, -0.0000378400000000 ] - [ 0.0013875700000000, -0.0008683500000000, -0.0008876400000000 ] - [ 0.0000414000000000, 0.0001510300000000, -0.0000329700000000 ] - [ 0.0002660300000000, -0.0001627000000000, -0.0004716900000000 ] - [ 0.0003655800000000, 0.0002439700000000, 0.0000591900000000 ] - [ 0.0003636200000000, 0.0002428300000000, 0.0000587400000000 ] - [ 0.0002020500000000, 0.0000943500000000, 0.0001786200000000 ] - [ 0.0002066500000000, 0.0000431600000000, -0.0000594200000000 ] - [ -0.0000074300000000, 0.0002052600000000, 0.0000665300000000 ] - [ 0.0005760300000000, -0.0001396800000000, -0.0001098800000000 ] - [ 0.0000094800000000, -0.0000817500000000, 0.0000384900000000 ] - [ 0.0000234800000000, -0.0004211100000000, 0.0007842400000000 ] - [ 0.0000683100000000, 0.0002198200000000, -0.0000408700000000 ] - [ 0.0000498600000000, 0.0000166600000000, 0.0000027700000000 ] - [ 0.0003690700000000, -0.0008430900000000, 0.0007569100000000 ] - [ -0.0000086100000000, 0.0001547400000000, -0.0001329700000000 ] - [ 0.0000863000000000, -0.0000611500000000, 0.0001049500000000 ] - [ 0.0000861300000000, -0.0000609900000000, 0.0001048100000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001867900000000, 0.0000806300000000, 0.0004063200000000 ] - [ 0.0000750500000000, -0.0001526600000000, -0.0001976000000000 ] - [ -0.0000883900000000, 0.0002621900000000, 0.0000204600000000 ] - [ -0.0001505000000000, -0.0005786900000000, -0.0002830300000000 ] - [ -0.0001214700000000, -0.0007148600000000, -0.0000943000000000 ] - [ -0.0008087700000000, -0.0004782600000000, 0.0002598800000000 ] - [ -0.0001428600000000, -0.0005065400000000, -0.0003897700000000 ] - [ -0.0000732800000000, 0.0003326200000000, -0.0000858300000000 ] - [ -0.0003381000000000, -0.0000789400000000, 0.0002322700000000 ] - [ 0.0002643700000000, -0.0003648900000000, -0.0000885100000000 ] - [ 0.0002681900000000, -0.0005697100000000, -0.0000339000000000 ] - [ 0.0003516300000000, 0.0003878700000000, 0.0000874600000000 ] - [ -0.0000378700000000, 0.0007414700000000, 0.0000808900000000 ] - [ -0.0001161200000000, -0.0002233000000000, -0.0000266000000000 ] - [ -0.0000639600000000, -0.0001833000000000, -0.0001071100000000 ] - [ -0.0008044200000000, 0.0002870800000000, 0.0006966100000000 ] - [ 0.0002101900000000, -0.0004485000000000, -0.0004853300000000 ] - [ 0.0003170300000000, -0.0002157800000000, 0.0001227600000000 ] - [ 0.0010415000000000, -0.0007408100000000, 0.0000457800000000 ] - [ -0.0004431800000000, -0.0012889300000000, 0.0011126300000000 ] - [ -0.0003167400000000, -0.0009924100000000, 0.0008357600000000 ] - [ 0.0011731800000000, -0.0004450800000000, -0.0002393000000000 ] - [ -0.0007958600000000, 0.0002154800000000, 0.0005910700000000 ] - [ -0.0000529300000000, -0.0002552000000000, -0.0002120000000000 ] - [ -0.0004097900000000, 0.0007077400000000, -0.0001932000000000 ] - [ -0.0001767000000000, -0.0002278200000000, 0.0000932200000000 ] - [ 0.0000334600000000, -0.0004560900000000, 0.0001106000000000 ] - [ 0.0002502600000000, 0.0004897300000000, 0.0000020600000000 ] - [ -0.0012064600000000, -0.0006127100000000, -0.0006546900000000 ] - [ -0.0002381500000000, -0.0004624100000000, 0.0001124500000000 ] - [ 0.0002591600000000, 0.0005689400000000, -0.0000954700000000 ] - [ 0.0000523500000000, -0.0003859900000000, 0.0000054000000000 ] - [ 0.0001562200000000, -0.0001078800000000, 0.0001106600000000 ] - [ -0.0008132100000000, -0.0002694600000000, -0.0006535600000000 ] - [ 0.0000294900000000, 0.0000339500000000, -0.0002105600000000 ] - [ 0.0001190000000000, -0.0004263700000000, 0.0000197900000000 ] - [ -0.0002726400000000, -0.0000770100000000, 0.0000189500000000 ] - [ -0.0003616000000000, 0.0003815300000000, -0.0002104100000000 ] - [ 0.0011303900000000, 0.0024079000000000, 0.0010394400000000 ] - [ 0.0000635100000000, -0.0004446900000000, 0.0002381500000000 ] - [ -0.0000356600000000, -0.0005232200000000, -0.0001904900000000 ] - [ -0.0002703200000000, 0.0004096900000000, -0.0004738000000000 ] - [ -0.0000261000000000, -0.0006454400000000, 0.0001617100000000 ] - [ -0.0011045500000000, 0.0016725600000000, 0.0000859200000000 ] - [ -0.0009699600000000, 0.0019653200000000, -0.0001977100000000 ] - [ 0.0001169800000000, -0.0003536100000000, -0.0001208700000000 ] - [ 0.0000764800000000, -0.0005156500000000, 0.0001418000000000 ] - [ 0.0010799400000000, 0.0022783900000000, 0.0008263000000000 ] - [ -0.0000043700000000, 0.0004940300000000, 0.0001141200000000 ] - [ -0.0000757900000000, -0.0002194500000000, -0.0000951800000000 ] - [ -0.0001418000000000, -0.0003510800000000, 0.0000903700000000 ] - [ -0.0000702200000000, 0.0003671800000000, 0.0002993900000000 ] - [ 0.0016713100000000, 0.0017603600000000, -0.0001491300000000 ] - [ -0.0002231900000000, 0.0003936500000000, -0.0001221100000000 ] - [ -0.0002908900000000, 0.0005221300000000, 0.0000629000000000 ] - [ 0.0015999000000000, 0.0018863000000000, 0.0000335400000000 ] - [ 0.0000624800000000, -0.0003983500000000, -0.0000034700000000 ] - [ 0.0000880800000000, 0.0004488800000000, -0.0000664800000000 ] - [ 0.0000229100000000, 0.0003216800000000, 0.0001194500000000 ] - [ -0.0000047400000000, -0.0005264000000000, 0.0001822400000000 ] - [ -0.0001048400000000, 0.0003850700000000, -0.0001976600000000 ] - [ 0.0036237100000000, -0.0004934300000000, 0.0003657300000000 ] - [ 0.0035558200000000, -0.0003771600000000, 0.0005455300000000 ] - [ -0.0001686800000000, 0.0005142500000000, -0.0000126500000000 ] - [ -0.0001520100000000, -0.0011471800000000, -0.0003951800000000 ] - [ -0.0000097300000000, 0.0001579100000000, -0.0000009000000000 ] - [ -0.0000695000000000, -0.0000777800000000, 0.0001313500000000 ] - [ 0.0000956300000000, 0.0002930900000000, -0.0001603700000000 ] - [ -0.0000307100000000, 0.0000034700000000, 0.0000723600000000 ] - [ 0.0001313000000000, 0.0008581200000000, 0.0005424400000000 ] - [ -0.0000268100000000, 0.0001440000000000, 0.0000588600000000 ] - [ -0.0002368900000000, 0.0000468600000000, -0.0005656500000000 ] - [ -0.0000171700000000, 0.0002077600000000, -0.0000837900000000 ] - [ 0.0000049100000000, 0.0002012900000000, -0.0001265000000000 ] - [ -0.0003064300000000, 0.0004463600000000, -0.0001636500000000 ] - [ 0.0012433800000000, 0.0058184700000000, 0.0000478400000000 ] - [ -0.0004282000000000, 0.0000361300000000, 0.0002706300000000 ] - [ -0.0001014000000000, 0.0001232600000000, -0.0001630000000000 ] - [ -0.0000283200000000, -0.0000001200000000, 0.0001086800000000 ] - [ -0.0001152900000000, -0.0001944300000000, 0.0000856400000000 ] - [ -0.0002382800000000, 0.0000643000000000, -0.0005685100000000 ] - [ -0.0000270200000000, 0.0001611700000000, 0.0000563700000000 ] - [ 0.0001389500000000, 0.0005415400000000, 0.0003434300000000 ] - [ -0.0000879100000000, 0.0000947300000000, -0.0000646600000000 ] - [ -0.0001013900000000, 0.0002737300000000, -0.0001628300000000 ] - [ -0.0004276600000000, 0.0001876600000000, 0.0002707300000000 ] - [ -0.0001197900000000, -0.0002606100000000, -0.0002249300000000 ] - [ 0.0001060500000000, 0.0001869800000000, 0.0001835300000000 ] - [ 0.0001847600000000, 0.0009153500000000, 0.0003603700000000 ] - [ 0.0000241900000000, 0.0000633500000000, -0.0001078600000000 ] - [ -0.0091739800000000, -0.0171028400000000, -0.0047296600000000 ] - [ 0.0001397900000000, 0.0002377400000000, 0.0000482500000000 ] - [ -0.0000100600000000, 0.0001476500000000, -0.0000004100000000 ] - [ -0.0001409500000000, -0.0011510500000000, -0.0004297100000000 ] - [ 0.0012570200000000, 0.0061437100000000, 0.0002157400000000 ] - [ -0.0003220900000000, 0.0006364300000000, -0.0000036100000000 ] - [ 0.0000366500000000, -0.0001532900000000, 0.0000318800000000 ] - [ 0.0000143600000000, -0.0001461000000000, 0.0000744500000000 ] - [ -0.0000971100000000, -0.0000013000000000, -0.0000735900000000 ] - [ -0.0000100500000000, 0.0001943500000000, -0.0000500200000000 ] - [ 0.0001506300000000, 0.0002347800000000, -0.0003413100000000 ] - [ -0.0000144000000000, -0.0001357600000000, -0.0000497200000000 ] - [ 0.0000112600000000, -0.0001227000000000, -0.0000237800000000 ] - [ -0.0001199100000000, 0.0001487800000000, -0.0000495800000000 ] - [ 0.0001490500000000, 0.0000613900000000, -0.0000671800000000 ] - [ 0.0001648100000000, 0.0000860800000000, 0.0001573800000000 ] - [ -0.0000652400000000, 0.0002640200000000, 0.0000217800000000 ] - [ -0.0000975100000000, -0.0006164300000000, 0.0001399300000000 ] - [ 0.0001363800000000, -0.0003231500000000, -0.0002580400000000 ] - [ -0.0000168800000000, 0.0001391500000000, 0.0001757600000000 ] - [ 0.0002859800000000, -0.0002070100000000, 0.0003827000000000 ] - [ 0.0000079500000000, 0.0001137800000000, 0.0000048500000000 ] - [ -0.0000064500000000, -0.0001719700000000, 0.0007832200000000 ] - [ -0.0000247500000000, 0.0003078700000000, -0.0001403200000000 ] - [ 0.0004389400000000, -0.0003979800000000, -0.0002312500000000 ] - [ -0.0000372600000000, 0.0000587100000000, -0.0000935300000000 ] - [ 0.0000328900000000, 0.0000938600000000, 0.0000177500000000 ] - [ 0.0002488300000000, -0.0003516200000000, 0.0000887700000000 ] - [ 0.0000102400000000, -0.0002132400000000, 0.0000978800000000 ] - [ 0.0000634000000000, 0.0000543800000000, 0.0001185600000000 ] - [ 0.0000086400000000, 0.0001308300000000, 0.0000044500000000 ] - [ 0.0002863800000000, -0.0001890900000000, 0.0003814200000000 ] - [ -0.0005672800000000, -0.0003913300000000, 0.0000331600000000 ] - [ 0.0000213300000000, 0.0003800300000000, 0.0001325500000000 ] - [ 0.0002496800000000, -0.0002024900000000, 0.0000893800000000 ] - [ 0.0000324300000000, 0.0002438200000000, 0.0000181700000000 ] - [ -0.0000119500000000, 0.0000261600000000, -0.0000266900000000 ] - [ -0.0006029200000000, -0.0007460000000000, -0.0001258200000000 ] - [ 0.0000391300000000, 0.0001984600000000, -0.0000041400000000 ] - [ 0.0001913200000000, -0.0002619800000000, -0.0004358600000000 ] - [ 0.0002428500000000, 0.0001725400000000, 0.0000533200000000 ] - [ 0.0002430600000000, 0.0001729200000000, 0.0000530800000000 ] - [ 0.0001643500000000, 0.0000743800000000, 0.0001571100000000 ] - [ 0.0001479400000000, 0.0000520000000000, -0.0000675400000000 ] - [ -0.0000533400000000, 0.0002513900000000, 0.0000646200000000 ] - [ 0.0004213100000000, -0.0002038900000000, -0.0000733800000000 ] - [ 0.0000078600000000, -0.0000464700000000, 0.0000177400000000 ] - [ 0.0000255700000000, -0.0005254000000000, 0.0009371200000000 ] - [ 0.0000817200000000, 0.0002489000000000, -0.0000400500000000 ] - [ 0.0000281800000000, -0.0000186300000000, -0.0000610200000000 ] - [ -0.0000409900000000, -0.0006752100000000, -0.0000397000000000 ] - [ -0.0000088000000000, 0.0002053500000000, -0.0001586700000000 ] - [ 0.0000611900000000, -0.0000378500000000, 0.0000740800000000 ] - [ 0.0000609100000000, -0.0000365800000000, 0.0000742300000000 ]- atom: 91 displacement: [ -0.0028919147919272, 0.0000000000000000, 0.0095727127208661 ] forces: - [ -0.0000051000000000, 0.0003138600000000, -0.0000384800000000 ] - [ 0.0000027300000000, -0.0001706800000000, -0.0002539900000000 ] - [ -0.0002346200000000, 0.0004296000000000, -0.0001663000000000 ] - [ -0.0002017300000000, -0.0003683000000000, -0.0000059000000000 ] - [ -0.0001801100000000, -0.0002189200000000, 0.0000669000000000 ] - [ -0.0009466200000000, 0.0008316800000000, 0.0048303000000000 ] - [ -0.0001906900000000, -0.0002965100000000, -0.0001107400000000 ] - [ -0.0002217300000000, 0.0005033200000000, -0.0002684700000000 ] - [ -0.0004451400000000, 0.0012540100000000, 0.0047577900000000 ] - [ 0.0002053600000000, 0.0001318100000000, 0.0000644700000000 ] - [ 0.0002303500000000, -0.0002675600000000, -0.0000621600000000 ] - [ -0.0002883400000000, 0.0006615400000000, -0.0014193300000000 ] - [ -0.0006605100000000, 0.0010001900000000, -0.0014119600000000 ] - [ -0.0001545700000000, 0.0000819700000000, -0.0000627400000000 ] - [ 0.0000255800000000, -0.0000270700000000, 0.0000849800000000 ] - [ 0.0002532900000000, 0.0000268800000000, -0.0000780600000000 ] - [ 0.0001383300000000, -0.0004729600000000, -0.0005445400000000 ] - [ 0.0001251600000000, 0.0000141600000000, -0.0003251800000000 ] - [ 0.0001973400000000, -0.0005123600000000, 0.0004479100000000 ] - [ -0.0003989700000000, 0.0001641100000000, 0.0003950100000000 ] - [ -0.0002613600000000, 0.0004667100000000, 0.0001004200000000 ] - [ 0.0003342000000000, -0.0002132600000000, 0.0001556000000000 ] - [ 0.0002660200000000, -0.0000463600000000, -0.0001853900000000 ] - [ 0.0000375700000000, -0.0000991600000000, -0.0000228200000000 ] - [ -0.0001636400000000, 0.0002163600000000, -0.0004324800000000 ] - [ -0.0000910400000000, 0.0001189900000000, 0.0001072700000000 ] - [ 0.0000414900000000, -0.0000021900000000, -0.0000194100000000 ] - [ 0.0013562900000000, -0.0005825400000000, -0.0010094900000000 ] - [ -0.0004515200000000, -0.0008010600000000, 0.0007158300000000 ] - [ -0.0001812700000000, -0.0001128600000000, 0.0000990100000000 ] - [ 0.0013863700000000, -0.0005184100000000, -0.0011131500000000 ] - [ 0.0000609600000000, 0.0000701600000000, -0.0001233900000000 ] - [ 0.0002078100000000, 0.0002390600000000, 0.0001004400000000 ] - [ -0.0000638300000000, -0.0004506600000000, 0.0007151700000000 ] - [ 0.0001589100000000, -0.0002394800000000, -0.0002611400000000 ] - [ 0.0001648100000000, -0.0001586000000000, -0.0001691000000000 ] - [ -0.0002246600000000, 0.0001928200000000, -0.0001719100000000 ] - [ -0.0002304200000000, 0.0001108000000000, -0.0002644000000000 ] - [ -0.0004094600000000, 0.0010046700000000, 0.0056345300000000 ] - [ -0.0000401800000000, 0.0000508400000000, 0.0001243100000000 ] - [ 0.0000473800000000, -0.0001801400000000, -0.0001793100000000 ] - [ -0.0000253100000000, -0.0000833300000000, -0.0007179000000000 ] - [ -0.0000733700000000, -0.0001676300000000, 0.0001739600000000 ] - [ -0.0006918900000000, 0.0002709700000000, 0.0007331000000000 ] - [ -0.0005609900000000, 0.0005773500000000, 0.0004466500000000 ] - [ 0.0000631600000000, 0.0001308100000000, -0.0001141600000000 ] - [ -0.0000192600000000, -0.0000217500000000, 0.0000172400000000 ] - [ -0.0004904900000000, 0.0008127300000000, 0.0053198100000000 ] - [ 0.0000583900000000, 0.0003191100000000, 0.0001132500000000 ] - [ 0.0001330700000000, -0.0002939600000000, 0.0002357000000000 ] - [ 0.0000666800000000, -0.0004207100000000, 0.0004181600000000 ] - [ -0.0000059900000000, 0.0001882200000000, 0.0002957900000000 ] - [ -0.0009229800000000, -0.0018518100000000, -0.0009082200000000 ] - [ -0.0000785400000000, 0.0000544900000000, -0.0002022800000000 ] - [ -0.0001412400000000, 0.0001839600000000, -0.0000205800000000 ] - [ -0.0009886600000000, -0.0017319000000000, -0.0007303100000000 ] - [ -0.0003613600000000, 0.0000539800000000, 0.0008532300000000 ] - [ 0.0000041700000000, 0.0000954000000000, 0.0000055500000000 ] - [ -0.0000612300000000, -0.0000336100000000, 0.0001887200000000 ] - [ -0.0004218700000000, -0.0000769300000000, 0.0010369100000000 ] - [ 0.0000435100000000, -0.0000598500000000, -0.0001639500000000 ] - [ 0.0025322200000000, 0.0003789900000000, -0.0033255100000000 ] - [ 0.0024511400000000, 0.0004966700000000, -0.0031667800000000 ] - [ -0.0000218600000000, 0.0000704100000000, 0.0000182300000000 ] - [ -0.0025261300000000, -0.0005587900000000, 0.0068134900000000 ] - [ -0.0000071700000000, 0.0000155700000000, -0.0000057300000000 ] - [ -0.0001288200000000, 0.0001327400000000, 0.0000986300000000 ] - [ -0.0000255200000000, -0.0000284700000000, 0.0001421900000000 ] - [ -0.0000256800000000, -0.0000851800000000, 0.0000538300000000 ] - [ 0.0003783900000000, 0.0011791200000000, 0.0005451100000000 ] - [ -0.0000183200000000, 0.0000877200000000, -0.0000162200000000 ] - [ 0.0000310700000000, -0.0002606500000000, 0.0000495700000000 ] - [ 0.0000011400000000, 0.0001620700000000, 0.0000158900000000 ] - [ 0.0000105700000000, 0.0001435000000000, 0.0000812900000000 ] - [ 0.0000267900000000, -0.0000606700000000, -0.0001303900000000 ] - [ 0.0003764900000000, 0.0003683500000000, -0.0010947700000000 ] - [ -0.0003029100000000, 0.0002744300000000, 0.0000991400000000 ] - [ 0.0000007200000000, -0.0001543500000000, 0.0000141500000000 ] - [ -0.0000549900000000, -0.0000753000000000, 0.0001353400000000 ] - [ -0.0001184400000000, -0.0000888500000000, 0.0002730700000000 ] - [ 0.0000309300000000, -0.0002412600000000, 0.0000504800000000 ] - [ -0.0000172500000000, 0.0001073400000000, -0.0000163400000000 ] - [ 0.0000154500000000, 0.0001872500000000, -0.0001174900000000 ] - [ -0.0000083400000000, 0.0000894500000000, -0.0001005800000000 ] - [ 0.0000007100000000, -0.0000081800000000, 0.0000154000000000 ] - [ -0.0003022400000000, 0.0004210000000000, 0.0001021900000000 ] - [ -0.0000383700000000, -0.0002571300000000, -0.0002530600000000 ] - [ -0.0000150000000000, -0.0001573000000000, -0.0002695400000000 ] - [ 0.0004347300000000, 0.0012489500000000, 0.0003673100000000 ] - [ 0.0000274300000000, -0.0000240600000000, -0.0001274000000000 ] - [ 0.0055346500000000, -0.0018743300000000, -0.0280354300000000 ] - [ 0.0000004400000000, 0.0000053300000000, -0.0000204200000000 ] - [ -0.0000071600000000, 0.0000013900000000, -0.0000062400000000 ] - [ -0.0025804200000000, -0.0005869900000000, 0.0069834000000000 ] - [ 0.0003650900000000, 0.0005271300000000, -0.0009417000000000 ] - [ 0.0000217300000000, 0.0001315300000000, 0.0000243600000000 ] - [ 0.0000410100000000, -0.0002024100000000, 0.0002347700000000 ] - [ 0.0000318800000000, -0.0001844200000000, 0.0001697100000000 ] - [ -0.0001138900000000, 0.0001023200000000, 0.0001179700000000 ] - [ -0.0000508800000000, 0.0001142300000000, -0.0000202600000000 ] - [ 0.0000267100000000, -0.0000901900000000, -0.0000380400000000 ] - [ -0.0000756500000000, 0.0000704700000000, -0.0000809800000000 ] - [ -0.0002327200000000, 0.0000258600000000, 0.0012080700000000 ] - [ -0.0000163000000000, 0.0000129000000000, 0.0000198900000000 ] - [ -0.0000130500000000, -0.0000573300000000, 0.0000143400000000 ] - [ 0.0000595300000000, 0.0000259100000000, 0.0000173100000000 ] - [ -0.0000247100000000, 0.0000544700000000, 0.0000630800000000 ] - [ 0.0006826700000000, -0.0006839100000000, 0.0007113100000000 ] - [ -0.0002669400000000, -0.0000534600000000, 0.0002371300000000 ] - [ -0.0000329900000000, -0.0000236900000000, 0.0001016800000000 ] - [ 0.0000652800000000, 0.0000026800000000, 0.0000975300000000 ] - [ 0.0000046500000000, -0.0000097500000000, 0.0000094400000000 ] - [ 0.0000590400000000, -0.0000354200000000, 0.0007873600000000 ] - [ -0.0000078800000000, 0.0001700600000000, -0.0000616600000000 ] - [ 0.0001395300000000, -0.0000799300000000, -0.0002537200000000 ] - [ -0.0000008900000000, -0.0000864700000000, -0.0000929800000000 ] - [ 0.0000189800000000, -0.0000488100000000, -0.0000043300000000 ] - [ 0.0000943500000000, -0.0000965400000000, 0.0000575300000000 ] - [ 0.0000385800000000, -0.0000800000000000, 0.0002065900000000 ] - [ 0.0000220100000000, -0.0000560700000000, 0.0001140500000000 ] - [ 0.0000048800000000, 0.0000092800000000, 0.0000087200000000 ] - [ 0.0000676800000000, 0.0000206400000000, 0.0000987300000000 ] - [ -0.0011719400000000, 0.0003747100000000, 0.0000071000000000 ] - [ 0.0000087900000000, 0.0001663500000000, 0.0000580300000000 ] - [ 0.0000943400000000, 0.0000500300000000, 0.0000597500000000 ] - [ 0.0000187600000000, 0.0000979500000000, -0.0000031700000000 ] - [ -0.0000227000000000, -0.0001797500000000, -0.0000952700000000 ] - [ -0.0011932100000000, 0.0000249600000000, -0.0001447000000000 ] - [ 0.0000213700000000, 0.0000376600000000, -0.0000790700000000 ] - [ -0.0002122000000000, 0.0000078000000000, 0.0000553000000000 ] - [ -0.0000494300000000, -0.0000198500000000, -0.0000918700000000 ] - [ -0.0000492900000000, -0.0000194400000000, -0.0000921900000000 ] - [ 0.0000599300000000, 0.0000110400000000, 0.0000171700000000 ] - [ -0.0000133900000000, -0.0000715000000000, 0.0000138300000000 ] - [ -0.0000047300000000, 0.0001031700000000, 0.0000625400000000 ] - [ 0.0001353100000000, 0.0001089900000000, -0.0000989900000000 ] - [ 0.0000238300000000, -0.0001765100000000, 0.0000914500000000 ] - [ 0.0000912400000000, -0.0003800800000000, 0.0009404900000000 ] - [ 0.0000256900000000, 0.0001340700000000, -0.0000409300000000 ] - [ 0.0000428700000000, 0.0001091700000000, 0.0000512500000000 ] - [ 0.0007319300000000, -0.0007418800000000, 0.0005274600000000 ] - [ 0.0000294600000000, -0.0000076100000000, -0.0001169400000000 ] - [ 0.0000757200000000, -0.0000534700000000, 0.0001095500000000 ] - [ 0.0000754800000000, -0.0000536300000000, 0.0001098200000000 ]