# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1a3a8956-c484-47f7-98a5-890da828b157/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 CaSiBHO5 / P2_1/c (14) / materials id 554371](https://mdr.nims.go.jp/datasets/63d5c666-5d94-4f75-941f-a1674984ae0c) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.824293480000000, 0.000000000000000, -0.005057580000000 ] # a - [ 0.000000000000000, 7.579962990000000, 0.000000000000000 ] # b - [ -0.046758670000000, 0.000000000000000, 9.622561350000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.491577290000000, 0.106283510000000, 0.336746700000000 ] mass: 40.078000 - symbol: Ca # 2 coordinates: [ 0.508422710000000, 0.893716490000000, 0.663253300000000 ] mass: 40.078000 - symbol: Ca # 3 coordinates: [ 0.491577290000000, 0.393716490000000, 0.836746700000000 ] mass: 40.078000 - symbol: Ca # 4 coordinates: [ 0.508422710000000, 0.606283510000000, 0.163253300000000 ] mass: 40.078000 - symbol: Si # 5 coordinates: [ 0.029903080000000, 0.731561290000000, 0.916242330000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.029903080000000, 0.768438710000000, 0.416242330000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.970096920000000, 0.231561290000000, 0.583757670000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.970096920000000, 0.268438710000000, 0.083757670000000 ] mass: 28.085500 - symbol: B # 9 coordinates: [ 0.928230520000000, 0.912040100000000, 0.158896240000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.071769480000000, 0.087959900000000, 0.841103760000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.071769480000000, 0.412040100000000, 0.341103760000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.928230520000000, 0.587959900000000, 0.658896240000000 ] mass: 10.811000 - symbol: H # 13 coordinates: [ 0.696360890000000, 0.031884070000000, 0.924565390000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.303639110000000, 0.531884070000000, 0.575434610000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.303639110000000, 0.968115930000000, 0.075434610000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.696360890000000, 0.468115930000000, 0.424565390000000 ] mass: 1.007940 - symbol: O # 17 coordinates: [ 0.237857480000000, 0.914995730000000, 0.162992010000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.258817800000000, 0.906548220000000, 0.464670520000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.175952620000000, 0.302463180000000, 0.458253610000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.190611840000000, 0.909909970000000, 0.854766760000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.237857480000000, 0.585004270000000, 0.662992010000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.179504810000000, 0.335722550000000, 0.211024070000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.258817800000000, 0.593451780000000, 0.964670520000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.809388160000000, 0.409909970000000, 0.645233240000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.762142520000000, 0.085004270000000, 0.837007990000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.741182200000000, 0.406548220000000, 0.035329480000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.809388160000000, 0.090090030000000, 0.145233240000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.820495190000000, 0.835722550000000, 0.288975930000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.741182200000000, 0.093451780000000, 0.535329480000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.190611840000000, 0.590090030000000, 0.354766760000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.824047380000000, 0.802463180000000, 0.041746390000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.762142520000000, 0.414995730000000, 0.337007990000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.824047380000000, 0.697536820000000, 0.541746390000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.175952620000000, 0.197536820000000, 0.958253610000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.179504810000000, 0.164277450000000, 0.711024070000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.820495190000000, 0.664277450000000, 0.788975930000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.207285294401049, 0.000000000000000, 0.001007256210089 ] # a* - [ 0.000000000000000, 0.131926765515777, 0.000000000000000 ] # b* - [ 0.000108948326867, 0.000000000000000, 0.103922963741755 ] # c*unit_cell: lattice: - [ 4.824293480000000, 0.000000000000000, -0.005057580000000 ] # a - [ 0.000000000000000, 7.579962990000000, 0.000000000000000 ] # b - [ -0.046758670000000, 0.000000000000000, 9.622561350000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.491577290000000, 0.106283510000000, 0.336746700000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.508422710000000, 0.893716490000000, 0.663253300000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.491577290000000, 0.393716490000000, 0.836746700000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.508422710000000, 0.606283510000000, 0.163253300000000 ] mass: 40.078000 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.029903080000000, 0.731561290000000, 0.916242330000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.029903080000000, 0.768438710000000, 0.416242330000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.970096920000000, 0.231561290000000, 0.583757670000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.970096920000000, 0.268438710000000, 0.083757670000000 ] mass: 28.085500 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.928230520000000, 0.912040100000000, 0.158896240000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.071769480000000, 0.087959900000000, 0.841103760000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.071769480000000, 0.412040100000000, 0.341103760000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.928230520000000, 0.587959900000000, 0.658896240000000 ] mass: 10.811000 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.696360890000000, 0.031884070000000, 0.924565390000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.303639110000000, 0.531884070000000, 0.575434610000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.303639110000000, 0.968115930000000, 0.075434610000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.696360890000000, 0.468115930000000, 0.424565390000000 ] mass: 1.007940 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.237857480000000, 0.914995730000000, 0.162992010000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.258817800000000, 0.906548220000000, 0.464670520000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.175952620000000, 0.302463180000000, 0.458253610000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.190611840000000, 0.909909970000000, 0.854766760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.237857480000000, 0.585004270000000, 0.662992010000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.179504810000000, 0.335722550000000, 0.211024070000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.258817800000000, 0.593451780000000, 0.964670520000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.809388160000000, 0.409909970000000, 0.645233240000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.762142520000000, 0.085004270000000, 0.837007990000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.741182200000000, 0.406548220000000, 0.035329480000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.809388160000000, 0.090090030000000, 0.145233240000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.820495190000000, 0.835722550000000, 0.288975930000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.741182200000000, 0.093451780000000, 0.535329480000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.190611840000000, 0.590090030000000, 0.354766760000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.824047380000000, 0.802463180000000, 0.041746390000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.762142520000000, 0.414995730000000, 0.337007990000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.824047380000000, 0.697536820000000, 0.541746390000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.175952620000000, 0.197536820000000, 0.958253610000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.179504810000000, 0.164277450000000, 0.711024070000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.820495190000000, 0.664277450000000, 0.788975930000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 9.648586959999999, 0.000000000000000, -0.010115160000000 ] # a - [ 0.000000000000000, 15.159925980000001, 0.000000000000000 ] # b - [ -0.046758670000000, 0.000000000000000, 9.622561350000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.245788645000000, 0.053141755000000, 0.336746700000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.745788645000000, 0.053141755000000, 0.336746700000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 3 coordinates: [ 0.245788645000000, 0.553141755000000, 0.336746700000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 4 coordinates: [ 0.745788645000000, 0.553141755000000, 0.336746700000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 5 coordinates: [ 0.254211355000000, 0.446858245000000, 0.663253300000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.754211355000000, 0.446858245000000, 0.663253300000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 7 coordinates: [ 0.254211355000000, 0.946858245000000, 0.663253300000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 8 coordinates: [ 0.754211355000000, 0.946858245000000, 0.663253300000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 9 coordinates: [ 0.245788645000000, 0.196858245000000, 0.836746700000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 10 coordinates: [ 0.745788645000000, 0.196858245000000, 0.836746700000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 11 coordinates: [ 0.245788645000000, 0.696858245000000, 0.836746700000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 12 coordinates: [ 0.745788645000000, 0.696858245000000, 0.836746700000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 13 coordinates: [ 0.254211355000000, 0.303141755000000, 0.163253300000000 ] mass: 40.078000 reduced_to: 13 - symbol: Ca # 14 coordinates: [ 0.754211355000000, 0.303141755000000, 0.163253300000000 ] mass: 40.078000 reduced_to: 13 - symbol: Ca # 15 coordinates: [ 0.254211355000000, 0.803141755000000, 0.163253300000000 ] mass: 40.078000 reduced_to: 13 - symbol: Ca # 16 coordinates: [ 0.754211355000000, 0.803141755000000, 0.163253300000000 ] mass: 40.078000 reduced_to: 13 - symbol: Si # 17 coordinates: [ 0.014951540000000, 0.365780645000000, 0.916242330000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.514951540000000, 0.365780645000000, 0.916242330000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 19 coordinates: [ 0.014951540000000, 0.865780645000000, 0.916242330000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 20 coordinates: [ 0.514951540000000, 0.865780645000000, 0.916242330000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 21 coordinates: [ 0.014951540000000, 0.384219355000000, 0.416242330000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.514951540000000, 0.384219355000000, 0.416242330000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 23 coordinates: [ 0.014951540000000, 0.884219355000000, 0.416242330000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 24 coordinates: [ 0.514951540000000, 0.884219355000000, 0.416242330000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 25 coordinates: [ 0.485048460000000, 0.115780645000000, 0.583757670000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.985048460000000, 0.115780645000000, 0.583757670000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 27 coordinates: [ 0.485048460000000, 0.615780645000000, 0.583757670000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 28 coordinates: [ 0.985048460000000, 0.615780645000000, 0.583757670000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 29 coordinates: [ 0.485048460000000, 0.134219355000000, 0.083757670000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.985048460000000, 0.134219355000000, 0.083757670000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 31 coordinates: [ 0.485048460000000, 0.634219355000000, 0.083757670000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 32 coordinates: [ 0.985048460000000, 0.634219355000000, 0.083757670000000 ] mass: 28.085500 reduced_to: 29 - symbol: B # 33 coordinates: [ 0.464115260000000, 0.456020050000000, 0.158896240000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.964115260000000, 0.456020050000000, 0.158896240000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.464115260000000, 0.956020050000000, 0.158896240000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 36 coordinates: [ 0.964115260000000, 0.956020050000000, 0.158896240000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 37 coordinates: [ 0.035884740000000, 0.043979950000000, 0.841103760000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.535884740000000, 0.043979950000000, 0.841103760000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.035884740000000, 0.543979950000000, 0.841103760000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 40 coordinates: [ 0.535884740000000, 0.543979950000000, 0.841103760000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 41 coordinates: [ 0.035884740000000, 0.206020050000000, 0.341103760000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.535884740000000, 0.206020050000000, 0.341103760000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.035884740000000, 0.706020050000000, 0.341103760000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 44 coordinates: [ 0.535884740000000, 0.706020050000000, 0.341103760000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 45 coordinates: [ 0.464115260000000, 0.293979950000000, 0.658896240000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.964115260000000, 0.293979950000000, 0.658896240000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.464115260000000, 0.793979950000000, 0.658896240000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 48 coordinates: [ 0.964115260000000, 0.793979950000000, 0.658896240000000 ] mass: 10.811000 reduced_to: 45 - symbol: H # 49 coordinates: [ 0.348180445000000, 0.015942035000000, 0.924565390000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.848180445000000, 0.015942035000000, 0.924565390000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.348180445000000, 0.515942035000000, 0.924565390000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.848180445000000, 0.515942035000000, 0.924565390000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.151819555000000, 0.265942035000000, 0.575434610000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.651819555000000, 0.265942035000000, 0.575434610000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.151819555000000, 0.765942035000000, 0.575434610000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 56 coordinates: [ 0.651819555000000, 0.765942035000000, 0.575434610000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 57 coordinates: [ 0.151819555000000, 0.484057965000000, 0.075434610000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.651819555000000, 0.484057965000000, 0.075434610000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.151819555000000, 0.984057965000000, 0.075434610000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 60 coordinates: [ 0.651819555000000, 0.984057965000000, 0.075434610000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 61 coordinates: [ 0.348180445000000, 0.234057965000000, 0.424565390000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.848180445000000, 0.234057965000000, 0.424565390000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.348180445000000, 0.734057965000000, 0.424565390000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 64 coordinates: [ 0.848180445000000, 0.734057965000000, 0.424565390000000 ] mass: 1.007940 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.118928740000000, 0.457497865000000, 0.162992010000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.618928740000000, 0.457497865000000, 0.162992010000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.118928740000000, 0.957497865000000, 0.162992010000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.618928740000000, 0.957497865000000, 0.162992010000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.129408900000000, 0.453274110000000, 0.464670520000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.629408900000000, 0.453274110000000, 0.464670520000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.129408900000000, 0.953274110000000, 0.464670520000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.629408900000000, 0.953274110000000, 0.464670520000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.087976310000000, 0.151231590000000, 0.458253610000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.587976310000000, 0.151231590000000, 0.458253610000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.087976310000000, 0.651231590000000, 0.458253610000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.587976310000000, 0.651231590000000, 0.458253610000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.095305920000000, 0.454954985000000, 0.854766760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.595305920000000, 0.454954985000000, 0.854766760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.095305920000000, 0.954954985000000, 0.854766760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.595305920000000, 0.954954985000000, 0.854766760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.118928740000000, 0.292502135000000, 0.662992010000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.618928740000000, 0.292502135000000, 0.662992010000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.118928740000000, 0.792502135000000, 0.662992010000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.618928740000000, 0.792502135000000, 0.662992010000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.089752405000000, 0.167861275000000, 0.211024070000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.589752405000000, 0.167861275000000, 0.211024070000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.089752405000000, 0.667861275000000, 0.211024070000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.589752405000000, 0.667861275000000, 0.211024070000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.129408900000000, 0.296725890000000, 0.964670520000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.629408900000000, 0.296725890000000, 0.964670520000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.129408900000000, 0.796725890000000, 0.964670520000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.629408900000000, 0.796725890000000, 0.964670520000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.404694080000000, 0.204954985000000, 0.645233240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.904694080000000, 0.204954985000000, 0.645233240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.404694080000000, 0.704954985000000, 0.645233240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.904694080000000, 0.704954985000000, 0.645233240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.381071260000000, 0.042502135000000, 0.837007990000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.881071260000000, 0.042502135000000, 0.837007990000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.381071260000000, 0.542502135000000, 0.837007990000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.881071260000000, 0.542502135000000, 0.837007990000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.370591100000000, 0.203274110000000, 0.035329480000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.870591100000000, 0.203274110000000, 0.035329480000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.370591100000000, 0.703274110000000, 0.035329480000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.870591100000000, 0.703274110000000, 0.035329480000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.404694080000000, 0.045045015000000, 0.145233240000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.904694080000000, 0.045045015000000, 0.145233240000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.404694080000000, 0.545045015000000, 0.145233240000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.904694080000000, 0.545045015000000, 0.145233240000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.410247595000000, 0.417861275000000, 0.288975930000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.910247595000000, 0.417861275000000, 0.288975930000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.410247595000000, 0.917861275000000, 0.288975930000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.910247595000000, 0.917861275000000, 0.288975930000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.370591100000000, 0.046725890000000, 0.535329480000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.870591100000000, 0.046725890000000, 0.535329480000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.370591100000000, 0.546725890000000, 0.535329480000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.870591100000000, 0.546725890000000, 0.535329480000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.095305920000000, 0.295045015000000, 0.354766760000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.595305920000000, 0.295045015000000, 0.354766760000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.095305920000000, 0.795045015000000, 0.354766760000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.595305920000000, 0.795045015000000, 0.354766760000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.412023690000000, 0.401231590000000, 0.041746390000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.912023690000000, 0.401231590000000, 0.041746390000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.412023690000000, 0.901231590000000, 0.041746390000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.912023690000000, 0.901231590000000, 0.041746390000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.381071260000000, 0.207497865000000, 0.337007990000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.881071260000000, 0.207497865000000, 0.337007990000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.381071260000000, 0.707497865000000, 0.337007990000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.881071260000000, 0.707497865000000, 0.337007990000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.412023690000000, 0.348768410000000, 0.541746390000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.912023690000000, 0.348768410000000, 0.541746390000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.412023690000000, 0.848768410000000, 0.541746390000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.912023690000000, 0.848768410000000, 0.541746390000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.087976310000000, 0.098768410000000, 0.958253610000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.587976310000000, 0.098768410000000, 0.958253610000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.087976310000000, 0.598768410000000, 0.958253610000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.587976310000000, 0.598768410000000, 0.958253610000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.089752405000000, 0.082138725000000, 0.711024070000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.589752405000000, 0.082138725000000, 0.711024070000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.089752405000000, 0.582138725000000, 0.711024070000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 140 coordinates: [ 0.589752405000000, 0.582138725000000, 0.711024070000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 141 coordinates: [ 0.410247595000000, 0.332138725000000, 0.788975930000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.910247595000000, 0.332138725000000, 0.788975930000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 143 coordinates: [ 0.410247595000000, 0.832138725000000, 0.788975930000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 144 coordinates: [ 0.910247595000000, 0.832138725000000, 0.788975930000000 ] mass: 15.999400 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ -0.0758530200000000, -0.0063094800000000, 0.0039341100000000 ] - [ 0.0091580200000000, -0.0001521200000000, 0.0000643200000000 ] - [ -0.0010700500000000, -0.0001025900000000, 0.0002633000000000 ] - [ 0.0007932000000000, -0.0000363900000000, 0.0000852900000000 ] - [ -0.0010915600000000, 0.0002038300000000, -0.0001604500000000 ] - [ 0.0011602900000000, 0.0001486800000000, -0.0001406300000000 ] - [ -0.0086525400000000, -0.0025039100000000, -0.0010983900000000 ] - [ 0.0041265800000000, 0.0003620600000000, -0.0002181700000000 ] - [ -0.0038852800000000, 0.0002966500000000, 0.0000314800000000 ] - [ 0.0029433000000000, 0.0004661900000000, 0.0003111200000000 ] - [ -0.0012324400000000, 0.0002820300000000, 0.0001219500000000 ] - [ 0.0009063900000000, 0.0000430800000000, 0.0000422400000000 ] - [ -0.0046782000000000, 0.0001389500000000, -0.0004143900000000 ] - [ 0.0030622300000000, -0.0002647100000000, -0.0003533200000000 ] - [ -0.0046825100000000, -0.0001612400000000, -0.0004879500000000 ] - [ 0.0030608100000000, 0.0000378100000000, -0.0000620900000000 ] - [ 0.0003870100000000, -0.0010396600000000, -0.0006430300000000 ] - [ 0.0010812000000000, 0.0007862800000000, -0.0002814700000000 ] - [ 0.0004187400000000, 0.0018546400000000, 0.0013726100000000 ] - [ 0.0021490400000000, -0.0024651600000000, -0.0024284000000000 ] - [ 0.0013957400000000, -0.0026565600000000, -0.0010526600000000 ] - [ 0.0008700500000000, 0.0030300600000000, -0.0001394600000000 ] - [ 0.0095185000000000, 0.0131315300000000, -0.0016371700000000 ] - [ 0.0081389000000000, -0.0087836100000000, 0.0060141500000000 ] - [ 0.0089504900000000, 0.0070918000000000, 0.0111249800000000 ] - [ 0.0085006500000000, -0.0013696000000000, -0.0116224600000000 ] - [ -0.0005815700000000, -0.0006468400000000, 0.0006629600000000 ] - [ -0.0003438300000000, 0.0004108500000000, 0.0002503100000000 ] - [ 0.0059648900000000, 0.0095670100000000, -0.0089878200000000 ] - [ 0.0060982700000000, -0.0022539000000000, 0.0104730800000000 ] - [ -0.0006066200000000, -0.0000494100000000, 0.0002118300000000 ] - [ -0.0002854000000000, 0.0005649900000000, 0.0007910400000000 ] - [ 0.0003248100000000, 0.0010100100000000, -0.0008581000000000 ] - [ -0.0000424400000000, 0.0001519400000000, -0.0001725300000000 ] - [ 0.0082836400000000, -0.0090120200000000, -0.0104643300000000 ] - [ 0.0073499300000000, 0.0047595700000000, 0.0041707900000000 ] - [ 0.0009262700000000, 0.0007869500000000, 0.0004122300000000 ] - [ 0.0004419400000000, -0.0018269300000000, 0.0006009600000000 ] - [ 0.0000419800000000, -0.0005495000000000, 0.0004390700000000 ] - [ -0.0002052000000000, -0.0003893400000000, 0.0004892200000000 ] - [ 0.0068953300000000, -0.0135558600000000, 0.0015344600000000 ] - [ 0.0066980500000000, 0.0062172900000000, 0.0002813500000000 ] - [ 0.0006221200000000, 0.0028781500000000, 0.0006917100000000 ] - [ -0.0004087500000000, -0.0013406800000000, 0.0003527400000000 ] - [ 0.0009099500000000, 0.0018021700000000, 0.0002805200000000 ] - [ 0.0002920000000000, -0.0024169600000000, -0.0012897700000000 ] - [ 0.0006961300000000, -0.0020864600000000, 0.0006510000000000 ] - [ 0.0001694500000000, 0.0010369500000000, -0.0017289900000000 ] - [ -0.0011629900000000, -0.0012078300000000, -0.0020159600000000 ] - [ 0.0006616200000000, -0.0006689200000000, 0.0003285500000000 ] - [ -0.0001293100000000, -0.0006534900000000, -0.0003838400000000 ] - [ 0.0000983700000000, -0.0007586400000000, -0.0002901500000000 ] - [ -0.0011064700000000, -0.0022776900000000, -0.0007141400000000 ] - [ 0.0006758500000000, -0.0001167300000000, 0.0008142500000000 ] - [ -0.0003395500000000, -0.0001973800000000, 0.0000812300000000 ] - [ 0.0003469400000000, -0.0008685700000000, 0.0005437700000000 ] - [ -0.0001184600000000, 0.0007469800000000, 0.0003167300000000 ] - [ 0.0001300000000000, 0.0007242500000000, 0.0003470300000000 ] - [ -0.0021996500000000, 0.0006526500000000, 0.0022180900000000 ] - [ 0.0009549100000000, 0.0006366400000000, 0.0000373300000000 ] - [ -0.0017335500000000, 0.0021582800000000, 0.0008237800000000 ] - [ 0.0008139600000000, 0.0003193500000000, -0.0005642500000000 ] - [ -0.0004744900000000, 0.0003755400000000, -0.0003352900000000 ] - [ 0.0003870500000000, 0.0010285700000000, -0.0002269000000000 ] - [ 0.0004070800000000, 0.0006043900000000, -0.0009182400000000 ] - [ -0.0002938000000000, 0.0003705900000000, -0.0007471800000000 ] - [ 0.0043245500000000, -0.0000096000000000, -0.0015784300000000 ] - [ -0.0045387200000000, 0.0015863500000000, 0.0002496400000000 ] - [ 0.0007872600000000, 0.0006495300000000, 0.0011020000000000 ] - [ -0.0005273500000000, -0.0010398700000000, 0.0006401600000000 ] - [ 0.0126503600000000, 0.0075812500000000, -0.0040862500000000 ] - [ -0.0045320200000000, 0.0006299100000000, -0.0009431100000000 ] - [ 0.0044908500000000, -0.0004784100000000, -0.0007410000000000 ] - [ -0.0040268100000000, -0.0022363600000000, -0.0006128600000000 ] - [ 0.0000483400000000, -0.0008624500000000, 0.0006135600000000 ] - [ -0.0001323600000000, 0.0005423100000000, 0.0000328100000000 ] - [ -0.0000348500000000, 0.0004893300000000, -0.0002410400000000 ] - [ -0.0003963800000000, -0.0001770600000000, -0.0001698500000000 ] - [ 0.0003398800000000, -0.0006821600000000, -0.0010761400000000 ] - [ -0.0011780200000000, 0.0011935800000000, 0.0002244900000000 ] - [ 0.0007338800000000, 0.0007444300000000, 0.0003251700000000 ] - [ -0.0009657000000000, -0.0012443100000000, -0.0013637100000000 ] - [ 0.0005536100000000, -0.0014598600000000, 0.0000350400000000 ] - [ -0.0006975500000000, -0.0000911400000000, -0.0011704500000000 ] - [ 0.0012923500000000, 0.0031319400000000, -0.0034775400000000 ] - [ -0.0030353000000000, -0.0023569700000000, 0.0001286100000000 ] - [ 0.0005515900000000, -0.0006983600000000, -0.0012471700000000 ] - [ 0.0002116100000000, 0.0004084000000000, -0.0003125100000000 ] - [ 0.0011537300000000, 0.0007164600000000, 0.0005225800000000 ] - [ -0.0007898800000000, -0.0000938500000000, 0.0008641700000000 ] - [ 0.0012173000000000, -0.0010174500000000, 0.0005771700000000 ] - [ -0.0011110200000000, 0.0012741000000000, 0.0009561200000000 ] - [ 0.0001473300000000, -0.0039710000000000, -0.0020782600000000 ] - [ -0.0020326500000000, 0.0021330800000000, 0.0025625300000000 ] - [ 0.0004517100000000, 0.0010797600000000, -0.0000163600000000 ] - [ -0.0001338700000000, -0.0007293900000000, 0.0004231700000000 ] - [ 0.0009703000000000, 0.0000734900000000, 0.0013617000000000 ] - [ -0.0014152900000000, -0.0007629700000000, 0.0004874900000000 ] - [ 0.0001477200000000, -0.0005897600000000, 0.0008599700000000 ] - [ -0.0002810800000000, -0.0004881200000000, 0.0008013000000000 ] - [ 0.0019415000000000, -0.0035773300000000, 0.0015495400000000 ] - [ -0.0032129900000000, 0.0013152200000000, -0.0027268000000000 ] - [ 0.0003400100000000, -0.0000095700000000, -0.0006921600000000 ] - [ -0.0006164400000000, -0.0004057000000000, -0.0009443700000000 ] - [ 0.0075343800000000, -0.0007300600000000, -0.0035452500000000 ] - [ -0.0036550300000000, -0.0003592600000000, -0.0021473600000000 ] - [ 0.0003404200000000, -0.0003586000000000, 0.0002881700000000 ] - [ 0.0000124100000000, -0.0001421700000000, 0.0001592700000000 ] - [ -0.0001160000000000, -0.0009268800000000, 0.0010951000000000 ] - [ -0.0009433400000000, 0.0006923900000000, 0.0002945400000000 ] - [ -0.0011048500000000, 0.0060220000000000, 0.0011388900000000 ] - [ -0.0041405400000000, -0.0022722300000000, -0.0002588700000000 ] - [ 0.0139106500000000, 0.0009696000000000, 0.0108557700000000 ] - [ -0.0053138300000000, -0.0008756600000000, 0.0009116800000000 ] - [ 0.0002615600000000, 0.0003408900000000, -0.0008309400000000 ] - [ -0.0005937600000000, 0.0000374600000000, -0.0008320700000000 ] - [ 0.0007498000000000, 0.0050666700000000, -0.0000489000000000 ] - [ -0.0022727300000000, -0.0032224700000000, -0.0004387000000000 ] - [ -0.0002870700000000, -0.0048368100000000, -0.0014165100000000 ] - [ -0.0020074100000000, 0.0028192600000000, -0.0004656100000000 ] - [ 0.0001137200000000, -0.0004301900000000, -0.0003813600000000 ] - [ -0.0001306000000000, 0.0001821500000000, -0.0002744000000000 ] - [ 0.0002791800000000, 0.0034785100000000, 0.0035336000000000 ] - [ -0.0018268700000000, -0.0019390700000000, -0.0024666500000000 ] - [ 0.0016095700000000, -0.0042740100000000, 0.0013432400000000 ] - [ -0.0043874100000000, 0.0023953700000000, 0.0005644000000000 ] - [ 0.0005447500000000, 0.0013057700000000, 0.0008682300000000 ] - [ -0.0008553700000000, -0.0001273300000000, 0.0006876300000000 ] - [ 0.0000815200000000, -0.0014571000000000, -0.0007997500000000 ] - [ -0.0004999600000000, 0.0009835400000000, 0.0000128900000000 ] - [ 0.0005169800000000, 0.0023657600000000, -0.0027502800000000 ] - [ -0.0021350500000000, -0.0020624500000000, 0.0014501800000000 ] - [ 0.0004581900000000, 0.0001197700000000, -0.0022865900000000 ] - [ -0.0023894500000000, -0.0006891600000000, 0.0025491500000000 ] - [ 0.0000469000000000, -0.0000151200000000, 0.0002115700000000 ] - [ -0.0001068200000000, 0.0000633800000000, 0.0003932700000000 ] - [ 0.0011741200000000, -0.0004930300000000, 0.0020698900000000 ] - [ -0.0021414300000000, -0.0000753000000000, -0.0026096300000000 ] - [ 0.0005334900000000, -0.0001493400000000, -0.0005180300000000 ] - [ 0.0002461600000000, 0.0000890900000000, -0.0007521300000000 ] - [ -0.0001974300000000, -0.0009199300000000, -0.0000220600000000 ] - [ -0.0007258300000000, 0.0006387700000000, 0.0012042400000000 ] - [ -0.0000593400000000, 0.0007013300000000, 0.0009247500000000 ] - [ -0.0008532800000000, -0.0004375400000000, 0.0007173600000000 ]- atom: 1 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ 0.0755761000000000, 0.0061995000000000, -0.0040146900000000 ] - [ -0.0093640200000000, -0.0000913900000000, 0.0002453800000000 ] - [ 0.0008632100000000, -0.0001402900000000, 0.0000476400000000 ] - [ -0.0009992100000000, -0.0002073200000000, 0.0002262800000000 ] - [ 0.0012977800000000, 0.0000398200000000, -0.0001517200000000 ] - [ -0.0009531700000000, 0.0000967400000000, -0.0001713300000000 ] - [ 0.0088561800000000, 0.0027722900000000, 0.0007398200000000 ] - [ -0.0039194300000000, -0.0001269000000000, -0.0000803000000000 ] - [ 0.0036809500000000, -0.0000564700000000, 0.0002811100000000 ] - [ -0.0031511400000000, -0.0002220300000000, 0.0000013200000000 ] - [ 0.0010238500000000, -0.0000363900000000, 0.0001895000000000 ] - [ -0.0011118000000000, 0.0002000100000000, 0.0002681600000000 ] - [ 0.0048847200000000, -0.0003998200000000, 0.0001113100000000 ] - [ -0.0028529200000000, 0.0000281900000000, 0.0000400700000000 ] - [ 0.0048807700000000, -0.0000652000000000, 0.0001812300000000 ] - [ -0.0028547600000000, -0.0002880400000000, -0.0002549900000000 ] - [ 0.0006713900000000, 0.0005933500000000, -0.0003002400000000 ] - [ -0.0000318700000000, -0.0012318100000000, -0.0006626000000000 ] - [ 0.0006446000000000, -0.0022990000000000, -0.0023149400000000 ] - [ -0.0011002000000000, 0.0020170100000000, 0.0014821000000000 ] - [ -0.0003384000000000, 0.0031034800000000, 0.0001073900000000 ] - [ 0.0001776300000000, -0.0025810200000000, -0.0008039200000000 ] - [ -0.0084312800000000, -0.0127471600000000, 0.0007473700000000 ] - [ -0.0070855000000000, 0.0091670900000000, -0.0069512200000000 ] - [ -0.0100339100000000, -0.0075450100000000, -0.0100760500000000 ] - [ -0.0095537100000000, 0.0009735700000000, 0.0126245800000000 ] - [ -0.0004753500000000, 0.0001996900000000, 0.0002824300000000 ] - [ -0.0007073500000000, -0.0008567600000000, 0.0006943100000000 ] - [ -0.0070335500000000, -0.0091179100000000, 0.0098662100000000 ] - [ -0.0071311800000000, 0.0027555300000000, -0.0095627600000000 ] - [ -0.0004490600000000, 0.0004965600000000, 0.0007314600000000 ] - [ -0.0007664000000000, -0.0001178300000000, 0.0001538600000000 ] - [ -0.0001303300000000, 0.0000353300000000, -0.0001115800000000 ] - [ 0.0002376700000000, 0.0008941800000000, -0.0007966000000000 ] - [ -0.0080855200000000, 0.0100160000000000, 0.0094198300000000 ] - [ -0.0071211700000000, -0.0037721000000000, -0.0052035100000000 ] - [ -0.0011142000000000, -0.0018369600000000, 0.0005607100000000 ] - [ -0.0006472200000000, 0.0007817400000000, 0.0003658400000000 ] - [ -0.0002339500000000, -0.0004958400000000, 0.0005284700000000 ] - [ 0.0000097100000000, -0.0006558100000000, 0.0004796900000000 ] - [ -0.0070822800000000, 0.0146755700000000, -0.0005800300000000 ] - [ -0.0069096100000000, -0.0050966100000000, 0.0006821100000000 ] - [ -0.0008123400000000, -0.0018293800000000, 0.0002777900000000 ] - [ 0.0002122100000000, 0.0023827700000000, 0.0006147100000000 ] - [ -0.0007242700000000, -0.0028484300000000, -0.0012494300000000 ] - [ -0.0000930200000000, 0.0013726600000000, 0.0003202600000000 ] - [ -0.0005049800000000, 0.0010397200000000, -0.0016172900000000 ] - [ 0.0000308600000000, -0.0020799600000000, 0.0007605400000000 ] - [ 0.0011360300000000, -0.0002298800000000, 0.0013503300000000 ] - [ -0.0006891800000000, -0.0007718800000000, -0.0010006200000000 ] - [ 0.0001029400000000, -0.0007850500000000, -0.0002834400000000 ] - [ -0.0001244100000000, -0.0006798800000000, -0.0003769100000000 ] - [ 0.0011349200000000, 0.0008392900000000, 0.0013805300000000 ] - [ -0.0006490700000000, -0.0013169100000000, -0.0001452900000000 ] - [ 0.0003655900000000, -0.0012384500000000, 0.0005861500000000 ] - [ -0.0003202100000000, -0.0005707600000000, 0.0001237800000000 ] - [ 0.0001446800000000, 0.0006912600000000, 0.0003504500000000 ] - [ -0.0001034800000000, 0.0007142000000000, 0.0003201300000000 ] - [ 0.0022437200000000, 0.0007959200000000, -0.0015313000000000 ] - [ -0.0009302500000000, 0.0008039700000000, 0.0006265000000000 ] - [ 0.0016940600000000, -0.0007343700000000, -0.0014916500000000 ] - [ -0.0008396500000000, 0.0011201600000000, -0.0000994800000000 ] - [ 0.0004474300000000, 0.0010630400000000, -0.0003316400000000 ] - [ -0.0004129900000000, 0.0004099900000000, -0.0004394400000000 ] - [ -0.0002822400000000, 0.0004199200000000, -0.0007358300000000 ] - [ 0.0004200500000000, 0.0006530500000000, -0.0009061500000000 ] - [ -0.0043270800000000, 0.0009156400000000, -0.0001933700000000 ] - [ 0.0046750600000000, -0.0005590800000000, -0.0018923100000000 ] - [ -0.0004767200000000, -0.0011251800000000, 0.0005558200000000 ] - [ 0.0008385700000000, 0.0005632200000000, 0.0010183900000000 ] - [ -0.0125256200000000, -0.0084338300000000, 0.0060356600000000 ] - [ 0.0048403000000000, -0.0010849000000000, 0.0025882400000000 ] - [ -0.0047966300000000, 0.0006192400000000, 0.0015733000000000 ] - [ 0.0039885100000000, 0.0021000500000000, 0.0012048600000000 ] - [ -0.0000852500000000, 0.0007502300000000, 0.0000014400000000 ] - [ 0.0000928300000000, -0.0006512300000000, 0.0005817100000000 ] - [ -0.0003477900000000, -0.0001198900000000, -0.0001880900000000 ] - [ 0.0000127500000000, 0.0005462700000000, -0.0002592300000000 ] - [ -0.0007285400000000, 0.0010553500000000, 0.0006453800000000 ] - [ 0.0007976000000000, -0.0008218100000000, -0.0006542200000000 ] - [ -0.0006094800000000, -0.0017699100000000, -0.0019777100000000 ] - [ 0.0010890900000000, 0.0002158300000000, -0.0002945900000000 ] - [ -0.0004299800000000, 0.0004292800000000, -0.0016857700000000 ] - [ 0.0008236200000000, -0.0009314900000000, -0.0004849100000000 ] - [ -0.0006547300000000, -0.0030637200000000, 0.0020739700000000 ] - [ 0.0038246400000000, 0.0022967000000000, -0.0014439600000000 ] - [ 0.0002355500000000, 0.0006531100000000, -0.0000843400000000 ] - [ 0.0005766200000000, -0.0004500700000000, -0.0010166900000000 ] - [ -0.0008437700000000, -0.0002403300000000, 0.0011352900000000 ] - [ 0.0011028700000000, 0.0005674500000000, 0.0007971300000000 ] - [ -0.0009076200000000, 0.0014906600000000, 0.0010792800000000 ] - [ 0.0014230700000000, -0.0007972100000000, 0.0007037500000000 ] - [ 0.0002446100000000, 0.0043470200000000, 0.0025049200000000 ] - [ 0.0024062000000000, -0.0017679000000000, -0.0021291100000000 ] - [ -0.0000674000000000, -0.0007086800000000, 0.0004454500000000 ] - [ 0.0005157900000000, 0.0010998200000000, 0.0000068500000000 ] - [ -0.0010925200000000, -0.0010985000000000, 0.0002973500000000 ] - [ 0.0012845000000000, -0.0002614200000000, 0.0011658200000000 ] - [ -0.0002713700000000, -0.0004353500000000, 0.0007938700000000 ] - [ 0.0001565000000000, -0.0005378100000000, 0.0008535400000000 ] - [ -0.0022399000000000, 0.0031022700000000, -0.0032083400000000 ] - [ 0.0028922400000000, -0.0017958900000000, 0.0010672800000000 ] - [ -0.0006491500000000, -0.0004663800000000, -0.0009668800000000 ] - [ 0.0003030000000000, -0.0000686900000000, -0.0007139000000000 ] - [ -0.0068314600000000, 0.0003329100000000, 0.0035643600000000 ] - [ 0.0040398300000000, -0.0000053900000000, 0.0026142600000000 ] - [ 0.0000446700000000, -0.0000132200000000, 0.0001413600000000 ] - [ 0.0003695000000000, -0.0002300900000000, 0.0002703900000000 ] - [ -0.0006677900000000, 0.0008833100000000, 0.0002341200000000 ] - [ 0.0001541100000000, -0.0007366000000000, 0.0010350800000000 ] - [ 0.0004465000000000, -0.0061375600000000, 0.0001772500000000 ] - [ 0.0033458100000000, 0.0022544100000000, 0.0015920300000000 ] - [ -0.0139850000000000, -0.0004992500000000, -0.0119706000000000 ] - [ 0.0050043100000000, 0.0013495400000000, -0.0025952800000000 ] - [ -0.0005702600000000, 0.0001363300000000, -0.0008284900000000 ] - [ 0.0002818000000000, 0.0004369300000000, -0.0008266300000000 ] - [ -0.0011360300000000, -0.0054438000000000, -0.0003785400000000 ] - [ 0.0019032100000000, 0.0028438500000000, 0.0000090600000000 ] - [ -0.0001018500000000, 0.0044621900000000, 0.0009816200000000 ] - [ 0.0016282700000000, -0.0031840600000000, 0.0000382000000000 ] - [ -0.0000741800000000, 0.0003190900000000, -0.0002340600000000 ] - [ 0.0001661400000000, -0.0002942400000000, -0.0003403200000000 ] - [ -0.0002381700000000, -0.0035861700000000, -0.0041396400000000 ] - [ 0.0018424100000000, 0.0018311400000000, 0.0018537900000000 ] - [ -0.0016323300000000, 0.0053690700000000, 0.0003045100000000 ] - [ 0.0042500700000000, -0.0013781600000000, 0.0010887300000000 ] - [ -0.0006667500000000, -0.0002792800000000, 0.0007870300000000 ] - [ 0.0007275500000000, 0.0011536000000000, 0.0009654000000000 ] - [ -0.0000414500000000, 0.0015673800000000, 0.0001847000000000 ] - [ 0.0005365900000000, -0.0008751700000000, -0.0006277500000000 ] - [ -0.0004711000000000, -0.0022522000000000, 0.0021289100000000 ] - [ 0.0021504600000000, 0.0021699200000000, -0.0020655600000000 ] - [ -0.0005071900000000, -0.0000088800000000, 0.0029023500000000 ] - [ 0.0023625800000000, 0.0008050000000000, -0.0019355100000000 ] - [ -0.0000852700000000, 0.0001249800000000, 0.0004038900000000 ] - [ 0.0000693300000000, 0.0000465800000000, 0.0002214600000000 ] - [ -0.0003979800000000, 0.0005377800000000, -0.0034043900000000 ] - [ 0.0029487600000000, 0.0001231800000000, 0.0012808900000000 ] - [ 0.0002549600000000, 0.0001913800000000, -0.0008117000000000 ] - [ 0.0005409400000000, -0.0000460500000000, -0.0005769900000000 ] - [ -0.0005884700000000, 0.0009630700000000, 0.0013524200000000 ] - [ -0.0000608000000000, -0.0005972500000000, 0.0001244600000000 ] - [ -0.0007248400000000, -0.0006588200000000, 0.0004055000000000 ] - [ 0.0000603000000000, 0.0004826600000000, 0.0006133600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0058458500000000, -0.0680158100000000, 0.0066698900000000 ] - [ -0.0001399200000000, -0.0055619400000000, -0.0000058600000000 ] - [ -0.0000847900000000, 0.0027616400000000, 0.0001043000000000 ] - [ -0.0000190200000000, 0.0023875500000000, 0.0001450700000000 ] - [ 0.0001865600000000, 0.0024119000000000, 0.0002401900000000 ] - [ 0.0001295700000000, 0.0020618900000000, 0.0001087800000000 ] - [ -0.0025336900000000, -0.0020828200000000, -0.0090943600000000 ] - [ 0.0003446000000000, -0.0022139200000000, -0.0010761600000000 ] - [ -0.0002775200000000, -0.0013899900000000, -0.0001270800000000 ] - [ -0.0004511500000000, -0.0012637500000000, 0.0001356600000000 ] - [ -0.0002634000000000, 0.0020043400000000, 0.0000780800000000 ] - [ -0.0000261800000000, 0.0016543100000000, 0.0000271000000000 ] - [ 0.0001477300000000, 0.0061993000000000, -0.0045902400000000 ] - [ -0.0000612700000000, 0.0011413200000000, -0.0013195500000000 ] - [ -0.0001583600000000, 0.0061570400000000, 0.0039043100000000 ] - [ 0.0002501100000000, 0.0011471500000000, 0.0008557100000000 ] - [ 0.0000121100000000, 0.0023918300000000, -0.0005905700000000 ] - [ 0.0012320200000000, 0.0019062700000000, -0.0006910700000000 ] - [ 0.0010010000000000, -0.0003360800000000, 0.0011905700000000 ] - [ -0.0012615100000000, -0.0008459800000000, 0.0008657700000000 ] - [ -0.0010584100000000, 0.0056780300000000, 0.0007441600000000 ] - [ 0.0015235000000000, 0.0049920900000000, 0.0002749900000000 ] - [ 0.0140306300000000, 0.0116688200000000, -0.0009202300000000 ] - [ -0.0096543800000000, 0.0043388200000000, -0.0083042400000000 ] - [ 0.0020632700000000, -0.0065440100000000, 0.0059382000000000 ] - [ -0.0067542800000000, -0.0106235200000000, 0.0088635600000000 ] - [ -0.0005234400000000, 0.0031581100000000, 0.0001760200000000 ] - [ -0.0002375900000000, 0.0032697500000000, 0.0000195000000000 ] - [ 0.0031386000000000, -0.0069577300000000, -0.0046464900000000 ] - [ -0.0074088200000000, -0.0091111500000000, -0.0080256300000000 ] - [ -0.0007141500000000, 0.0035825800000000, 0.0007742100000000 ] - [ -0.0000190700000000, 0.0034559000000000, 0.0011429400000000 ] - [ 0.0003085200000000, 0.0031568600000000, -0.0012407400000000 ] - [ -0.0001676000000000, 0.0029629600000000, -0.0011038200000000 ] - [ -0.0064098700000000, -0.0071285700000000, 0.0115489800000000 ] - [ 0.0087021700000000, -0.0031147300000000, 0.0024438100000000 ] - [ -0.0002262800000000, -0.0049434300000000, 0.0005788600000000 ] - [ -0.0004999800000000, -0.0034152100000000, 0.0006180700000000 ] - [ -0.0001016400000000, 0.0017218900000000, 0.0003994600000000 ] - [ -0.0000760200000000, 0.0015247000000000, 0.0004365500000000 ] - [ -0.0110875400000000, 0.0107405600000000, 0.0010463000000000 ] - [ 0.0129834100000000, -0.0002774200000000, 0.0004388300000000 ] - [ 0.0007598200000000, 0.0050451400000000, 0.0007113500000000 ] - [ -0.0005496600000000, 0.0035375900000000, 0.0006028500000000 ] - [ 0.0006125800000000, 0.0000953800000000, 0.0007500200000000 ] - [ -0.0009542900000000, 0.0002630100000000, 0.0003535200000000 ] - [ -0.0005625500000000, 0.0018739600000000, -0.0024819400000000 ] - [ 0.0008511100000000, 0.0016532200000000, -0.0022216000000000 ] - [ -0.0001120100000000, -0.0016951800000000, -0.0001333600000000 ] - [ 0.0000633300000000, -0.0014823300000000, -0.0001696400000000 ] - [ -0.0000252400000000, -0.0002016400000000, -0.0004074100000000 ] - [ -0.0000314200000000, -0.0002497500000000, -0.0003905800000000 ] - [ -0.0000519600000000, 0.0006478900000000, 0.0015935200000000 ] - [ 0.0000411700000000, -0.0006702100000000, 0.0006803300000000 ] - [ 0.0000299000000000, 0.0003014800000000, 0.0000005600000000 ] - [ 0.0000544500000000, -0.0002686200000000, 0.0001571200000000 ] - [ 0.0000137200000000, 0.0012464600000000, 0.0002239600000000 ] - [ -0.0000044600000000, 0.0011855400000000, 0.0002484900000000 ] - [ -0.0002089600000000, -0.0013157900000000, 0.0023609300000000 ] - [ 0.0004534600000000, -0.0000148400000000, 0.0006058400000000 ] - [ 0.0014545200000000, 0.0051992500000000, 0.0025591800000000 ] - [ 0.0000017900000000, 0.0010006700000000, 0.0001058200000000 ] - [ -0.0001531900000000, 0.0016054600000000, -0.0005780600000000 ] - [ 0.0000435700000000, 0.0013184600000000, -0.0003659300000000 ] - [ 0.0001931700000000, -0.0008667700000000, -0.0006773300000000 ] - [ -0.0001220300000000, -0.0006079600000000, -0.0006792200000000 ] - [ -0.0007927000000000, 0.0071058500000000, 0.0000715200000000 ] - [ 0.0016796400000000, 0.0029964000000000, -0.0026695000000000 ] - [ -0.0003002200000000, -0.0026957100000000, 0.0004834700000000 ] - [ -0.0005352700000000, -0.0022285000000000, 0.0006094500000000 ] - [ 0.0086047900000000, 0.0185844400000000, -0.0077647200000000 ] - [ 0.0028355000000000, 0.0021709600000000, 0.0027700800000000 ] - [ -0.0003322900000000, 0.0091311600000000, -0.0004800400000000 ] - [ -0.0024763400000000, 0.0030974500000000, -0.0023521600000000 ] - [ -0.0000461800000000, -0.0024324300000000, 0.0011888700000000 ] - [ 0.0001703600000000, -0.0019357500000000, 0.0010192600000000 ] - [ -0.0000599400000000, -0.0019930100000000, 0.0000691700000000 ] - [ -0.0002470500000000, -0.0016813300000000, 0.0000646100000000 ] - [ -0.0009179000000000, 0.0029363500000000, -0.0010688800000000 ] - [ 0.0000440300000000, 0.0023947200000000, -0.0008798700000000 ] - [ 0.0005636600000000, -0.0014450400000000, -0.0017174700000000 ] - [ -0.0002584900000000, -0.0007688300000000, -0.0012302500000000 ] - [ -0.0002931700000000, -0.0020337600000000, 0.0002081700000000 ] - [ 0.0006184500000000, -0.0011745000000000, -0.0002375400000000 ] - [ 0.0046772600000000, 0.0041550900000000, 0.0037076200000000 ] - [ -0.0016282200000000, 0.0024045500000000, 0.0017023900000000 ] - [ 0.0001017700000000, -0.0021536500000000, -0.0017444300000000 ] - [ 0.0004695800000000, -0.0015580600000000, -0.0013775100000000 ] - [ 0.0009166500000000, -0.0007991900000000, 0.0021294500000000 ] - [ 0.0001124700000000, -0.0003181000000000, 0.0012395200000000 ] - [ -0.0001815500000000, -0.0005749700000000, -0.0002537200000000 ] - [ 0.0004827500000000, -0.0001918500000000, 0.0004193600000000 ] - [ -0.0007737200000000, 0.0019920400000000, -0.0013419900000000 ] - [ 0.0019210100000000, 0.0007699200000000, -0.0019026200000000 ] - [ 0.0003437100000000, -0.0020916500000000, 0.0003477300000000 ] - [ -0.0000299600000000, -0.0020729600000000, 0.0003613000000000 ] - [ 0.0003942100000000, 0.0014290000000000, 0.0011092000000000 ] - [ 0.0001171000000000, 0.0011846900000000, 0.0008636200000000 ] - [ -0.0001150800000000, -0.0016211600000000, 0.0007854100000000 ] - [ -0.0001050900000000, -0.0015648900000000, 0.0008086500000000 ] - [ -0.0020362300000000, 0.0011496700000000, 0.0023315400000000 ] - [ 0.0016171500000000, 0.0008605500000000, 0.0013407500000000 ] - [ 0.0006992700000000, -0.0021727200000000, -0.0013306800000000 ] - [ 0.0000554600000000, -0.0016241200000000, -0.0010754000000000 ] - [ -0.0007798400000000, 0.0108850700000000, 0.0001437900000000 ] - [ -0.0003512200000000, 0.0070578500000000, -0.0002561300000000 ] - [ 0.0002205900000000, -0.0027862500000000, 0.0006326400000000 ] - [ 0.0001842000000000, -0.0026683300000000, 0.0005461200000000 ] - [ -0.0006912800000000, -0.0022539200000000, 0.0013520200000000 ] - [ 0.0001791000000000, -0.0019800100000000, 0.0014321700000000 ] - [ 0.0062980100000000, 0.0007852200000000, -0.0015592400000000 ] - [ -0.0044069700000000, 0.0002427400000000, -0.0017609200000000 ] - [ 0.0003164000000000, 0.0098328500000000, -0.0038652100000000 ] - [ 0.0009942200000000, 0.0055681100000000, -0.0012687700000000 ] - [ -0.0006532300000000, -0.0017016100000000, -0.0008105200000000 ] - [ -0.0006719200000000, -0.0016160100000000, -0.0008242700000000 ] - [ 0.0014827500000000, -0.0052655400000000, -0.0012136800000000 ] - [ -0.0032841100000000, -0.0030398800000000, -0.0007089500000000 ] - [ -0.0019524200000000, -0.0058558900000000, -0.0011038700000000 ] - [ 0.0014838700000000, -0.0033038000000000, 0.0001868500000000 ] - [ -0.0005184200000000, -0.0015399500000000, -0.0000805300000000 ] - [ 0.0000612500000000, -0.0013331000000000, -0.0003698100000000 ] - [ 0.0012497100000000, 0.0010468600000000, -0.0033707600000000 ] - [ -0.0018828100000000, -0.0000170700000000, -0.0020029800000000 ] - [ -0.0077217800000000, -0.0008124700000000, 0.0018108100000000 ] - [ 0.0036127600000000, -0.0002903000000000, 0.0007791400000000 ] - [ 0.0003987300000000, -0.0013046800000000, 0.0010414700000000 ] - [ -0.0006361400000000, -0.0010153900000000, 0.0007681900000000 ] - [ -0.0005647400000000, -0.0017267900000000, -0.0015299600000000 ] - [ 0.0006401100000000, -0.0011601500000000, -0.0009955700000000 ] - [ 0.0017219600000000, -0.0018175800000000, 0.0027498500000000 ] - [ -0.0025888600000000, -0.0023149300000000, 0.0018595300000000 ] - [ 0.0003146700000000, 0.0040080800000000, 0.0023189400000000 ] - [ 0.0000404700000000, 0.0025744400000000, 0.0009708600000000 ] - [ -0.0001530300000000, -0.0015246400000000, -0.0001333200000000 ] - [ -0.0000206900000000, -0.0014123600000000, -0.0000952200000000 ] - [ 0.0004243900000000, 0.0038946600000000, -0.0024501300000000 ] - [ 0.0003910500000000, 0.0020382200000000, -0.0014867800000000 ] - [ 0.0004703000000000, -0.0014845300000000, -0.0001841200000000 ] - [ 0.0004929000000000, -0.0013262800000000, -0.0002526600000000 ] - [ -0.0005326800000000, -0.0007812200000000, 0.0001490200000000 ] - [ -0.0000101100000000, -0.0007955000000000, 0.0001651600000000 ] - [ 0.0000946000000000, -0.0002685500000000, 0.0012519200000000 ] - [ -0.0007360700000000, -0.0000180000000000, 0.0010783200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0066556000000000, 0.0680337900000000, -0.0068151700000000 ] - [ -0.0000787600000000, 0.0053163300000000, 0.0003173000000000 ] - [ -0.0001213900000000, -0.0030051600000000, 0.0002090400000000 ] - [ -0.0001894400000000, -0.0026307400000000, 0.0001686700000000 ] - [ 0.0000214000000000, -0.0021672500000000, -0.0005502500000000 ] - [ 0.0000767400000000, -0.0018188500000000, -0.0004205100000000 ] - [ 0.0027601400000000, 0.0023761200000000, 0.0088106300000000 ] - [ -0.0001436400000000, 0.0024644600000000, 0.0007644600000000 ] - [ 0.0000752600000000, 0.0016187000000000, 0.0004366800000000 ] - [ 0.0002376800000000, 0.0014963300000000, 0.0001764500000000 ] - [ 0.0000560600000000, -0.0017565500000000, 0.0002355300000000 ] - [ -0.0001815800000000, -0.0014061700000000, 0.0002873300000000 ] - [ 0.0000606000000000, -0.0063994200000000, 0.0042371200000000 ] - [ 0.0002662500000000, -0.0013909400000000, 0.0010028600000000 ] - [ 0.0003713900000000, -0.0064406900000000, -0.0042604200000000 ] - [ -0.0000454600000000, -0.0013841600000000, -0.0011735000000000 ] - [ 0.0010337600000000, -0.0028405900000000, -0.0003561000000000 ] - [ -0.0001795500000000, -0.0023591400000000, -0.0002568600000000 ] - [ 0.0000460200000000, -0.0000978700000000, -0.0021318800000000 ] - [ 0.0023109100000000, 0.0004148700000000, -0.0018082300000000 ] - [ 0.0020956100000000, -0.0052150700000000, -0.0016792900000000 ] - [ -0.0004679400000000, -0.0045421000000000, -0.0012175900000000 ] - [ -0.0130864800000000, -0.0112650600000000, 0.0000328200000000 ] - [ 0.0107621400000000, -0.0038904500000000, 0.0073762800000000 ] - [ -0.0031715700000000, 0.0059814800000000, -0.0050060900000000 ] - [ 0.0057165900000000, 0.0101629200000000, -0.0079157200000000 ] - [ -0.0005233200000000, -0.0036039700000000, 0.0007707500000000 ] - [ -0.0008145400000000, -0.0037143400000000, 0.0009300000000000 ] - [ -0.0042100100000000, 0.0072824200000000, 0.0056053200000000 ] - [ 0.0063563100000000, 0.0095319400000000, 0.0089581200000000 ] - [ -0.0003321200000000, -0.0031329600000000, 0.0001692100000000 ] - [ -0.0010332800000000, -0.0030058100000000, -0.0002027000000000 ] - [ -0.0001122300000000, -0.0021122300000000, 0.0002695600000000 ] - [ 0.0003606700000000, -0.0019190000000000, 0.0001324700000000 ] - [ 0.0066065200000000, 0.0082942600000000, -0.0125619900000000 ] - [ -0.0084975400000000, 0.0041602100000000, -0.0034274700000000 ] - [ 0.0000315200000000, 0.0039019400000000, 0.0003874300000000 ] - [ 0.0002980200000000, 0.0023830000000000, 0.0003446800000000 ] - [ -0.0000934500000000, -0.0027647500000000, 0.0005681000000000 ] - [ -0.0001173700000000, -0.0025686800000000, 0.0005312600000000 ] - [ 0.0107693000000000, -0.0096595400000000, -0.0000693200000000 ] - [ -0.0130990400000000, 0.0013052400000000, 0.0005281000000000 ] - [ -0.0009611900000000, -0.0040181000000000, 0.0002540400000000 ] - [ 0.0003613700000000, -0.0024916800000000, 0.0003643800000000 ] - [ -0.0004162000000000, -0.0011511100000000, -0.0017114400000000 ] - [ 0.0011435800000000, -0.0013148800000000, -0.0013185800000000 ] - [ 0.0007602500000000, -0.0029186600000000, 0.0015300700000000 ] - [ -0.0006600000000000, -0.0026890600000000, 0.0012539100000000 ] - [ 0.0000895500000000, 0.0002637900000000, -0.0005235800000000 ] - [ -0.0000913300000000, 0.0000444400000000, -0.0004989400000000 ] - [ -0.0000011600000000, -0.0012365000000000, -0.0002615900000000 ] - [ 0.0000046800000000, -0.0011885700000000, -0.0002783300000000 ] - [ 0.0000756300000000, -0.0020839500000000, -0.0009177300000000 ] - [ -0.0000151800000000, -0.0007711000000000, -0.0000109500000000 ] - [ -0.0000045200000000, -0.0017404700000000, 0.0006718600000000 ] - [ -0.0000271400000000, -0.0011687700000000, 0.0005115300000000 ] - [ 0.0000128700000000, 0.0001917800000000, 0.0004440900000000 ] - [ 0.0000307000000000, 0.0002526700000000, 0.0004194500000000 ] - [ 0.0002535900000000, 0.0027742900000000, -0.0016786200000000 ] - [ -0.0004335700000000, 0.0014562300000000, 0.0000637900000000 ] - [ -0.0014506600000000, -0.0037033300000000, -0.0031938800000000 ] - [ -0.0000277800000000, 0.0004347900000000, -0.0007720300000000 ] - [ 0.0001282900000000, -0.0001702000000000, -0.0000890400000000 ] - [ -0.0000709700000000, 0.0001213300000000, -0.0003008200000000 ] - [ -0.0000637800000000, 0.0018953200000000, -0.0009819200000000 ] - [ 0.0002487800000000, 0.0016382100000000, -0.0009807000000000 ] - [ 0.0007450900000000, -0.0062345700000000, -0.0019070400000000 ] - [ -0.0015400800000000, -0.0019866700000000, 0.0010179600000000 ] - [ 0.0006216300000000, 0.0022284000000000, 0.0011790000000000 ] - [ 0.0008552600000000, 0.0017651600000000, 0.0010539100000000 ] - [ -0.0088587500000000, -0.0196696700000000, 0.0100052000000000 ] - [ -0.0025140000000000, -0.0026494700000000, -0.0011131700000000 ] - [ 0.0000275500000000, -0.0090075000000000, 0.0012763000000000 ] - [ 0.0024348500000000, -0.0031739200000000, 0.0029503100000000 ] - [ 0.0000062200000000, 0.0023231400000000, -0.0005731200000000 ] - [ -0.0002124600000000, 0.0018217900000000, -0.0004005500000000 ] - [ -0.0003303700000000, 0.0023611700000000, -0.0004982200000000 ] - [ -0.0001441400000000, 0.0020513700000000, -0.0004936500000000 ] - [ 0.0005238700000000, -0.0025710800000000, 0.0006404600000000 ] - [ -0.0004340000000000, -0.0020375200000000, 0.0004526800000000 ] - [ -0.0004323600000000, 0.0004176200000000, 0.0000535000000000 ] - [ 0.0003856700000000, -0.0002562100000000, -0.0004327700000000 ] - [ 0.0004239100000000, 0.0009978800000000, -0.0018733900000000 ] - [ -0.0004948100000000, 0.0001423500000000, -0.0014271100000000 ] - [ -0.0040203100000000, -0.0040097000000000, -0.0051165500000000 ] - [ 0.0024116200000000, -0.0024228300000000, -0.0030206900000000 ] - [ 0.0006845900000000, 0.0021092200000000, 0.0004135200000000 ] - [ 0.0003139500000000, 0.0015093500000000, 0.0000438800000000 ] - [ -0.0005930400000000, 0.0012651900000000, -0.0004585100000000 ] - [ 0.0002060300000000, 0.0007872200000000, 0.0004261400000000 ] - [ 0.0005069100000000, 0.0010317200000000, 0.0019217800000000 ] - [ -0.0001596300000000, 0.0006474300000000, 0.0012448500000000 ] - [ 0.0011614600000000, -0.0015841300000000, 0.0017679500000000 ] - [ -0.0015311200000000, -0.0003930100000000, 0.0023350300000000 ] - [ 0.0000479500000000, 0.0024588900000000, 0.0000779800000000 ] - [ 0.0004219500000000, 0.0024361900000000, 0.0000657700000000 ] - [ -0.0005240700000000, -0.0024634700000000, 0.0005539900000000 ] - [ -0.0002447000000000, -0.0022155500000000, 0.0007982900000000 ] - [ -0.0000130700000000, 0.0005900400000000, 0.0008756200000000 ] - [ -0.0000231000000000, 0.0005335600000000, 0.0008521800000000 ] - [ 0.0016979200000000, -0.0015850900000000, -0.0039781900000000 ] - [ -0.0019366900000000, -0.0013188700000000, -0.0030017200000000 ] - [ -0.0010235800000000, 0.0017100700000000, -0.0003306500000000 ] - [ -0.0003758000000000, 0.0011578300000000, -0.0005880000000000 ] - [ 0.0011921800000000, -0.0112460300000000, 0.0002648800000000 ] - [ 0.0007470100000000, -0.0074213900000000, 0.0006826700000000 ] - [ 0.0001708900000000, 0.0024154400000000, -0.0002025500000000 ] - [ 0.0002086500000000, 0.0022977200000000, -0.0001156300000000 ] - [ -0.0000966000000000, 0.0022037300000000, -0.0000163300000000 ] - [ -0.0009596600000000, 0.0019289100000000, -0.0000943700000000 ] - [ -0.0069446000000000, -0.0010934000000000, 0.0028774800000000 ] - [ 0.0036332900000000, -0.0002935100000000, 0.0031069600000000 ] - [ -0.0006824500000000, -0.0093303300000000, 0.0021348800000000 ] - [ -0.0013075700000000, -0.0051043000000000, -0.0004004200000000 ] - [ 0.0003319200000000, 0.0021638200000000, -0.0008545400000000 ] - [ 0.0003512400000000, 0.0020783600000000, -0.0008417800000000 ] - [ -0.0018522100000000, 0.0048846400000000, 0.0007792000000000 ] - [ 0.0028851700000000, 0.0026757100000000, 0.0002797600000000 ] - [ 0.0015771700000000, 0.0055049800000000, 0.0006731800000000 ] - [ -0.0018776700000000, 0.0029283900000000, -0.0006134400000000 ] - [ 0.0005571200000000, 0.0014277400000000, -0.0005349500000000 ] - [ -0.0000188200000000, 0.0012216600000000, -0.0002480400000000 ] - [ -0.0012137500000000, -0.0011843900000000, 0.0027556900000000 ] - [ 0.0019114400000000, -0.0001025400000000, 0.0013803000000000 ] - [ 0.0076859700000000, 0.0021065300000000, -0.0001392200000000 ] - [ -0.0037326000000000, 0.0013232500000000, 0.0008806000000000 ] - [ -0.0005313000000000, 0.0023376900000000, 0.0006207800000000 ] - [ 0.0005137600000000, 0.0020472300000000, 0.0008943000000000 ] - [ 0.0006011500000000, 0.0018395400000000, 0.0009023000000000 ] - [ -0.0005956900000000, 0.0012742600000000, 0.0003700900000000 ] - [ -0.0016918100000000, 0.0019314600000000, -0.0033880800000000 ] - [ 0.0026159600000000, 0.0024118200000000, -0.0024796800000000 ] - [ -0.0003592300000000, -0.0038889000000000, -0.0016955400000000 ] - [ -0.0000638900000000, -0.0024462800000000, -0.0003649800000000 ] - [ 0.0001116900000000, 0.0016358200000000, 0.0007536800000000 ] - [ -0.0000214600000000, 0.0015232400000000, 0.0007142500000000 ] - [ 0.0003556300000000, -0.0038445300000000, 0.0011123400000000 ] - [ 0.0004200100000000, -0.0019805900000000, 0.0001691100000000 ] - [ 0.0003154000000000, 0.0015300500000000, -0.0011513700000000 ] - [ 0.0002913700000000, 0.0013719600000000, -0.0010825800000000 ] - [ -0.0002524000000000, 0.0008323800000000, 0.0011870100000000 ] - [ -0.0007729900000000, 0.0008457600000000, 0.0011691200000000 ] - [ -0.0008802200000000, 0.0003086600000000, 0.0000757100000000 ] - [ -0.0000480400000000, 0.0000601400000000, 0.0002541400000000 ]- atom: 1 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ 0.0037129000000000, 0.0069791700000000, -0.0979159100000000 ] - [ -0.0002378800000000, -0.0002817200000000, -0.0043853000000000 ] - [ 0.0000093000000000, -0.0001746100000000, -0.0002036100000000 ] - [ -0.0001774700000000, -0.0001344000000000, -0.0001526600000000 ] - [ 0.0001036500000000, 0.0005157700000000, 0.0000878700000000 ] - [ 0.0001140200000000, 0.0003854300000000, 0.0000673200000000 ] - [ -0.0007632500000000, -0.0088838100000000, 0.0144746000000000 ] - [ 0.0000182900000000, -0.0008010700000000, 0.0016368000000000 ] - [ -0.0002070800000000, 0.0004141900000000, 0.0058345300000000 ] - [ 0.0000424100000000, 0.0001429600000000, 0.0027561500000000 ] - [ -0.0001301300000000, 0.0001984100000000, 0.0012329500000000 ] - [ -0.0002180600000000, 0.0002508500000000, 0.0008743100000000 ] - [ -0.0002131200000000, -0.0042050800000000, -0.0010342400000000 ] - [ 0.0001860500000000, -0.0011358700000000, -0.0009068600000000 ] - [ -0.0001366600000000, 0.0042915000000000, -0.0010404600000000 ] - [ -0.0001086200000000, 0.0010381900000000, -0.0009101000000000 ] - [ 0.0011443200000000, -0.0010934000000000, 0.0007985500000000 ] - [ 0.0006091100000000, -0.0010708200000000, 0.0010988600000000 ] - [ 0.0009136900000000, 0.0010297600000000, 0.0040521300000000 ] - [ -0.0007072400000000, 0.0010013000000000, 0.0040217300000000 ] - [ 0.0005704900000000, 0.0005204100000000, -0.0011543800000000 ] - [ 0.0006880200000000, 0.0005227000000000, -0.0014680900000000 ] - [ -0.0076319600000000, -0.0069859800000000, -0.0083044600000000 ] - [ 0.0012996800000000, -0.0029313900000000, -0.0086612100000000 ] - [ 0.0158583500000000, 0.0116907800000000, 0.0090109400000000 ] - [ -0.0099652400000000, 0.0027210000000000, 0.0081293800000000 ] - [ -0.0002466600000000, -0.0006035600000000, 0.0003132800000000 ] - [ -0.0005017100000000, -0.0008012200000000, 0.0005297500000000 ] - [ -0.0120446500000000, -0.0109264600000000, 0.0077856700000000 ] - [ 0.0074789500000000, -0.0025681700000000, 0.0074389900000000 ] - [ -0.0008582200000000, 0.0006933200000000, 0.0002906200000000 ] - [ -0.0007175600000000, 0.0005392900000000, 0.0001399600000000 ] - [ 0.0000223900000000, 0.0003777600000000, -0.0009265300000000 ] - [ 0.0002092100000000, 0.0003853600000000, -0.0008524300000000 ] - [ -0.0090107800000000, 0.0147716000000000, -0.0001281800000000 ] - [ 0.0121113900000000, 0.0040023200000000, -0.0026631500000000 ] - [ -0.0001666100000000, -0.0002895800000000, 0.0077057000000000 ] - [ -0.0000523100000000, -0.0006513800000000, 0.0063106800000000 ] - [ -0.0000911200000000, -0.0006184000000000, 0.0008604400000000 ] - [ -0.0001040200000000, -0.0005112800000000, 0.0008271300000000 ] - [ 0.0002529700000000, 0.0020010400000000, -0.0165772900000000 ] - [ -0.0004244300000000, 0.0012631600000000, -0.0049529100000000 ] - [ -0.0004762500000000, -0.0005454300000000, 0.0000433300000000 ] - [ 0.0000187700000000, 0.0007668800000000, 0.0000662300000000 ] - [ 0.0010113700000000, 0.0032624600000000, 0.0001028500000000 ] - [ -0.0004674100000000, 0.0012308700000000, 0.0001828600000000 ] - [ 0.0004610600000000, -0.0016623000000000, 0.0014168200000000 ] - [ -0.0006813200000000, -0.0014032300000000, 0.0014708700000000 ] - [ -0.0003376500000000, -0.0002425100000000, 0.0022744000000000 ] - [ 0.0001758300000000, -0.0006875700000000, 0.0003710400000000 ] - [ -0.0000046600000000, -0.0007483600000000, -0.0002535900000000 ] - [ -0.0000100600000000, -0.0007442800000000, -0.0002787100000000 ] - [ -0.0000968000000000, 0.0008533900000000, 0.0006329200000000 ] - [ 0.0000946200000000, -0.0002329500000000, 0.0002893300000000 ] - [ 0.0000084900000000, -0.0013619000000000, 0.0002735600000000 ] - [ -0.0000328900000000, -0.0009099200000000, 0.0001658100000000 ] - [ 0.0000284100000000, 0.0006542600000000, 0.0003685800000000 ] - [ 0.0000084000000000, 0.0006876000000000, 0.0003610600000000 ] - [ 0.0026373900000000, 0.0035064100000000, 0.0075897500000000 ] - [ -0.0002892200000000, 0.0009399300000000, 0.0011101100000000 ] - [ 0.0014083400000000, 0.0039248000000000, -0.0012054500000000 ] - [ -0.0005133800000000, 0.0011739500000000, -0.0005432800000000 ] - [ 0.0000712000000000, 0.0003978100000000, -0.0006543700000000 ] - [ -0.0001229500000000, 0.0004676100000000, -0.0005578300000000 ] - [ -0.0000597000000000, 0.0007233700000000, -0.0006853000000000 ] - [ 0.0001078300000000, 0.0006161100000000, -0.0006961100000000 ] - [ -0.0053763000000000, -0.0022224600000000, 0.0031225700000000 ] - [ 0.0035858000000000, -0.0018509800000000, -0.0003480900000000 ] - [ 0.0001372700000000, -0.0002834000000000, 0.0010618000000000 ] - [ 0.0000892600000000, -0.0003819200000000, 0.0010725000000000 ] - [ -0.0052282200000000, -0.0094119700000000, 0.0176301500000000 ] - [ -0.0011385700000000, 0.0013148600000000, 0.0032601600000000 ] - [ -0.0007746000000000, -0.0006892700000000, 0.0103300100000000 ] - [ -0.0032159500000000, -0.0038107800000000, 0.0040964400000000 ] - [ 0.0000314500000000, 0.0002928300000000, 0.0004227000000000 ] - [ -0.0000294000000000, -0.0001509300000000, 0.0006321600000000 ] - [ -0.0002446500000000, 0.0004661100000000, -0.0005951300000000 ] - [ -0.0002243300000000, 0.0002736900000000, -0.0005593000000000 ] - [ 0.0003210400000000, 0.0003137800000000, -0.0039974000000000 ] - [ 0.0000920100000000, 0.0006006800000000, -0.0023121900000000 ] - [ 0.0004253700000000, -0.0016368400000000, -0.0014972600000000 ] - [ -0.0005788700000000, -0.0014322700000000, -0.0011538000000000 ] - [ 0.0006762500000000, 0.0008113900000000, -0.0018085700000000 ] - [ -0.0002266900000000, -0.0000917000000000, -0.0013021600000000 ] - [ -0.0035085000000000, 0.0039912700000000, 0.0052946400000000 ] - [ 0.0027463300000000, 0.0029743300000000, 0.0026834800000000 ] - [ 0.0002724500000000, 0.0002566400000000, 0.0000622700000000 ] - [ 0.0004131500000000, -0.0000978500000000, -0.0003709300000000 ] - [ -0.0002078900000000, 0.0011435400000000, -0.0003886700000000 ] - [ 0.0003977200000000, 0.0008138400000000, 0.0001433800000000 ] - [ 0.0000829900000000, -0.0009538800000000, -0.0007600300000000 ] - [ 0.0005953300000000, -0.0005133500000000, -0.0001056800000000 ] - [ -0.0015183300000000, -0.0061099400000000, -0.0023889200000000 ] - [ 0.0014505700000000, -0.0015890000000000, -0.0013260200000000 ] - [ 0.0001922700000000, 0.0009521100000000, -0.0000826600000000 ] - [ 0.0004848800000000, 0.0009263000000000, -0.0000984000000000 ] - [ 0.0000323700000000, -0.0008844900000000, -0.0034362400000000 ] - [ -0.0001763700000000, -0.0006146800000000, -0.0012254100000000 ] - [ -0.0000695900000000, -0.0005527800000000, 0.0006391900000000 ] - [ -0.0000666200000000, -0.0005147900000000, 0.0006650300000000 ] - [ 0.0008122800000000, 0.0038934900000000, -0.0040727900000000 ] - [ -0.0020360900000000, 0.0010614800000000, -0.0023479800000000 ] - [ 0.0001016200000000, -0.0009857200000000, -0.0011681300000000 ] - [ -0.0000911500000000, -0.0006646800000000, -0.0008857600000000 ] - [ -0.0017809900000000, -0.0001070400000000, 0.0085298700000000 ] - [ -0.0034220000000000, -0.0000825300000000, 0.0001497100000000 ] - [ 0.0001833300000000, -0.0002275100000000, 0.0003721900000000 ] - [ 0.0001771700000000, -0.0001432100000000, 0.0003470600000000 ] - [ -0.0002015600000000, -0.0000524600000000, 0.0012150500000000 ] - [ -0.0002692800000000, -0.0000958600000000, 0.0010744600000000 ] - [ 0.0018399900000000, -0.0036027400000000, 0.0092844800000000 ] - [ 0.0000760400000000, -0.0010405500000000, 0.0065388000000000 ] - [ 0.0105125400000000, -0.0019845300000000, 0.0250586200000000 ] - [ 0.0028361900000000, 0.0006276200000000, -0.0011544300000000 ] - [ -0.0001949600000000, 0.0002292400000000, -0.0007305600000000 ] - [ -0.0000856100000000, 0.0003317000000000, -0.0007739400000000 ] - [ -0.0004403400000000, -0.0006561400000000, 0.0029179400000000 ] - [ -0.0001546200000000, -0.0003437100000000, 0.0009091400000000 ] - [ 0.0003765000000000, 0.0031750400000000, 0.0024128100000000 ] - [ 0.0003194000000000, -0.0005670100000000, 0.0010477500000000 ] - [ 0.0002692000000000, 0.0005138700000000, -0.0004765300000000 ] - [ -0.0000141400000000, 0.0003234700000000, -0.0003419800000000 ] - [ 0.0014368700000000, -0.0038328400000000, -0.0034185200000000 ] - [ -0.0025575300000000, -0.0019428000000000, -0.0025781000000000 ] - [ -0.0003696500000000, -0.0001860100000000, 0.0065094500000000 ] - [ 0.0005723900000000, -0.0000819100000000, 0.0044644300000000 ] - [ -0.0001155100000000, 0.0004013800000000, 0.0013308900000000 ] - [ 0.0002682800000000, 0.0007250700000000, 0.0011835300000000 ] - [ -0.0001337000000000, -0.0008975200000000, 0.0005093500000000 ] - [ 0.0000393100000000, -0.0004336200000000, 0.0001216900000000 ] - [ -0.0015548800000000, 0.0024329900000000, 0.0002384400000000 ] - [ 0.0019160400000000, 0.0021906800000000, -0.0012179700000000 ] - [ -0.0017724200000000, -0.0002320800000000, -0.0054393000000000 ] - [ 0.0021885400000000, 0.0001869500000000, -0.0046044500000000 ] - [ -0.0000171300000000, -0.0000818900000000, 0.0001705300000000 ] - [ 0.0000634800000000, -0.0001263000000000, 0.0001049700000000 ] - [ 0.0025099700000000, 0.0003022000000000, -0.0065953500000000 ] - [ -0.0026534200000000, -0.0001688900000000, -0.0061017100000000 ] - [ 0.0003425500000000, 0.0002433300000000, -0.0009780800000000 ] - [ 0.0003312200000000, 0.0001554600000000, -0.0008894200000000 ] - [ -0.0004163900000000, -0.0008487400000000, -0.0010595600000000 ] - [ -0.0004011200000000, -0.0003495800000000, -0.0004453200000000 ] - [ -0.0010066500000000, 0.0001457300000000, -0.0014158500000000 ] - [ -0.0004951800000000, -0.0002770200000000, -0.0010404700000000 ]- atom: 1 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ -0.0047552400000000, -0.0065638300000000, 0.0972666400000000 ] - [ 0.0000411800000000, 0.0000414200000000, 0.0046985200000000 ] - [ -0.0002164500000000, -0.0000704200000000, 0.0005156600000000 ] - [ -0.0000284700000000, -0.0001105400000000, 0.0004637700000000 ] - [ 0.0001012500000000, -0.0002721800000000, -0.0004022600000000 ] - [ 0.0000947600000000, -0.0001421000000000, -0.0003815300000000 ] - [ 0.0009596200000000, 0.0089959100000000, -0.0146532300000000 ] - [ 0.0001935400000000, 0.0010417200000000, -0.0019575400000000 ] - [ -0.0000056400000000, -0.0001471100000000, -0.0055273800000000 ] - [ -0.0002438200000000, 0.0001052700000000, -0.0024463600000000 ] - [ -0.0000779400000000, 0.0000418200000000, -0.0009225000000000 ] - [ 0.0000131100000000, -0.0000098800000000, -0.0005635700000000 ] - [ 0.0004125700000000, 0.0039628300000000, 0.0007536300000000 ] - [ 0.0000252400000000, 0.0008928600000000, 0.0006033200000000 ] - [ 0.0003471600000000, -0.0045371000000000, 0.0007468500000000 ] - [ 0.0003163300000000, -0.0012834300000000, 0.0006034100000000 ] - [ -0.0000927900000000, 0.0006486000000000, -0.0017430300000000 ] - [ 0.0004490300000000, 0.0006338100000000, -0.0020411700000000 ] - [ 0.0001323600000000, -0.0014918400000000, -0.0049888300000000 ] - [ 0.0017697800000000, -0.0014585400000000, -0.0049689900000000 ] - [ 0.0004891600000000, -0.0000871500000000, 0.0002032500000000 ] - [ 0.0003651000000000, -0.0000865500000000, 0.0005161500000000 ] - [ 0.0087143700000000, 0.0074541900000000, 0.0073710300000000 ] - [ -0.0002728600000000, 0.0033923000000000, 0.0076583800000000 ] - [ -0.0167818800000000, -0.0120827600000000, -0.0080147200000000 ] - [ 0.0088599200000000, -0.0031032900000000, -0.0072522000000000 ] - [ -0.0008075500000000, 0.0001537400000000, 0.0006271400000000 ] - [ -0.0005527100000000, 0.0003527300000000, 0.0004123800000000 ] - [ 0.0110820100000000, 0.0114170100000000, -0.0068580900000000 ] - [ -0.0085758300000000, 0.0030775000000000, -0.0064390200000000 ] - [ -0.0001968400000000, -0.0002482900000000, 0.0006564700000000 ] - [ -0.0003370600000000, -0.0000948500000000, 0.0008072200000000 ] - [ 0.0001724300000000, 0.0006683400000000, -0.0000363900000000 ] - [ -0.0000159300000000, 0.0006590900000000, -0.0001118300000000 ] - [ 0.0092593500000000, -0.0138135000000000, -0.0007796900000000 ] - [ -0.0119368500000000, -0.0029604800000000, 0.0017009000000000 ] - [ -0.0000430600000000, -0.0007814000000000, -0.0067356800000000 ] - [ -0.0001225400000000, -0.0003950200000000, -0.0053429400000000 ] - [ -0.0001020600000000, -0.0004271700000000, 0.0001074500000000 ] - [ -0.0000905600000000, -0.0005337100000000, 0.0001420000000000 ] - [ -0.0003868500000000, -0.0010246900000000, 0.0175533000000000 ] - [ 0.0001547300000000, -0.0002043000000000, 0.0059223500000000 ] - [ 0.0002828100000000, 0.0015967500000000, 0.0009261700000000 ] - [ -0.0002136900000000, 0.0002835800000000, 0.0009031300000000 ] - [ -0.0008104000000000, -0.0042819600000000, -0.0010812100000000 ] - [ 0.0006601400000000, -0.0022807100000000, -0.0011582600000000 ] - [ -0.0002639500000000, 0.0006101000000000, -0.0023897000000000 ] - [ 0.0008733600000000, 0.0003608300000000, -0.0024514100000000 ] - [ 0.0003135500000000, -0.0012040300000000, -0.0029485800000000 ] - [ -0.0002022100000000, -0.0007519500000000, -0.0010349200000000 ] - [ -0.0000219300000000, -0.0006900000000000, -0.0004127000000000 ] - [ -0.0000160700000000, -0.0006946000000000, -0.0003872600000000 ] - [ 0.0001185600000000, -0.0022947700000000, 0.0000251100000000 ] - [ -0.0000669600000000, -0.0012044300000000, 0.0003754000000000 ] - [ 0.0000177200000000, -0.0000749100000000, 0.0003915300000000 ] - [ 0.0000601300000000, -0.0005287700000000, 0.0004994100000000 ] - [ -0.0000020800000000, 0.0007845600000000, 0.0002985600000000 ] - [ 0.0000185400000000, 0.0007511600000000, 0.0003063900000000 ] - [ -0.0026562100000000, -0.0021183900000000, -0.0070037600000000 ] - [ 0.0003188800000000, 0.0004987300000000, -0.0004428500000000 ] - [ -0.0014427000000000, -0.0024946200000000, 0.0005152900000000 ] - [ 0.0004888000000000, 0.0002630500000000, -0.0001253600000000 ] - [ -0.0000984200000000, 0.0010409900000000, -0.0000149800000000 ] - [ 0.0000964500000000, 0.0009724000000000, -0.0001085200000000 ] - [ 0.0001859600000000, 0.0003036900000000, -0.0009728200000000 ] - [ 0.0000181400000000, 0.0004106000000000, -0.0009616200000000 ] - [ 0.0053578500000000, 0.0030657900000000, -0.0050004000000000 ] - [ -0.0034670100000000, 0.0028903400000000, -0.0013154600000000 ] - [ 0.0001710400000000, -0.0001919700000000, 0.0005993800000000 ] - [ 0.0002158800000000, -0.0000957900000000, 0.0005860400000000 ] - [ 0.0052172700000000, 0.0084679400000000, -0.0156928700000000 ] - [ 0.0014419900000000, -0.0017871500000000, -0.0015902300000000 ] - [ 0.0005281000000000, 0.0007471700000000, -0.0095378400000000 ] - [ 0.0031661600000000, 0.0036728200000000, -0.0034526700000000 ] - [ -0.0000700200000000, -0.0004037600000000, 0.0001961200000000 ] - [ -0.0000091700000000, 0.0000397600000000, -0.0000130300000000 ] - [ -0.0001363600000000, -0.0000970100000000, 0.0001664000000000 ] - [ -0.0001605300000000, 0.0000935700000000, 0.0001310500000000 ] - [ -0.0006924500000000, 0.0000695200000000, 0.0035621000000000 ] - [ -0.0004813600000000, -0.0002250600000000, 0.0018840300000000 ] - [ -0.0002931600000000, 0.0006101400000000, -0.0001503000000000 ] - [ 0.0006984700000000, 0.0003996700000000, -0.0005005000000000 ] - [ -0.0005439600000000, -0.0018373300000000, 0.0001583800000000 ] - [ 0.0003500200000000, -0.0009336900000000, -0.0003526100000000 ] - [ 0.0041938600000000, -0.0039507300000000, -0.0067589700000000 ] - [ -0.0019671800000000, -0.0030369700000000, -0.0040367400000000 ] - [ 0.0005135700000000, -0.0003013500000000, -0.0013970500000000 ] - [ 0.0003728700000000, 0.0000541400000000, -0.0009628500000000 ] - [ 0.0005216900000000, -0.0006720400000000, 0.0020385100000000 ] - [ -0.0000953700000000, -0.0003394000000000, 0.0015120800000000 ] - [ 0.0002258800000000, 0.0014363000000000, 0.0024133500000000 ] - [ -0.0002919400000000, 0.0009972700000000, 0.0017622800000000 ] - [ 0.0018832900000000, 0.0064383800000000, 0.0028128100000000 ] - [ -0.0010788200000000, 0.0019570600000000, 0.0017774100000000 ] - [ 0.0001896200000000, -0.0005784500000000, 0.0005133800000000 ] - [ -0.0001011400000000, -0.0005570600000000, 0.0005292800000000 ] - [ -0.0001740700000000, -0.0001380200000000, 0.0050871100000000 ] - [ 0.0000617900000000, -0.0004073000000000, 0.0028808600000000 ] - [ -0.0000558000000000, -0.0004738200000000, 0.0010172500000000 ] - [ -0.0000583400000000, -0.0005107400000000, 0.0009915600000000 ] - [ -0.0011356700000000, -0.0044077000000000, 0.0024219200000000 ] - [ 0.0017208500000000, -0.0015458000000000, 0.0006726400000000 ] - [ -0.0004082600000000, 0.0005085600000000, -0.0004922900000000 ] - [ -0.0002164000000000, 0.0001877900000000, -0.0007725300000000 ] - [ 0.0026624900000000, -0.0002970600000000, -0.0086396300000000 ] - [ 0.0038110400000000, -0.0002955300000000, 0.0002644400000000 ] - [ 0.0001991200000000, -0.0001403000000000, 0.0000539100000000 ] - [ 0.0002043000000000, -0.0002233500000000, 0.0000799900000000 ] - [ -0.0005828700000000, 0.0000136500000000, 0.0001143900000000 ] - [ -0.0005201300000000, 0.0000563200000000, 0.0002554500000000 ] - [ -0.0025922300000000, 0.0035449200000000, -0.0079921700000000 ] - [ -0.0008573300000000, 0.0009972800000000, -0.0052185000000000 ] - [ -0.0098765000000000, 0.0023855900000000, -0.0253721100000000 ] - [ -0.0031488300000000, -0.0001555900000000, -0.0004876000000000 ] - [ -0.0001112200000000, 0.0002505200000000, -0.0009243600000000 ] - [ -0.0002211100000000, 0.0001486200000000, -0.0008828600000000 ] - [ 0.0000558300000000, 0.0003015000000000, -0.0033457200000000 ] - [ -0.0002081700000000, -0.0000184100000000, -0.0013343600000000 ] - [ -0.0007589100000000, -0.0035491700000000, -0.0028471600000000 ] - [ -0.0006953800000000, 0.0001901100000000, -0.0014706400000000 ] - [ -0.0002310800000000, -0.0006281000000000, -0.0001456600000000 ] - [ 0.0000524100000000, -0.0004348600000000, -0.0002772900000000 ] - [ -0.0014120500000000, 0.0037411100000000, 0.0027961300000000 ] - [ 0.0025887800000000, 0.0018305800000000, 0.0019526700000000 ] - [ 0.0003059000000000, 0.0012486700000000, -0.0048685200000000 ] - [ -0.0007136300000000, 0.0011097800000000, -0.0028112200000000 ] - [ -0.0000112800000000, 0.0006233200000000, 0.0003272200000000 ] - [ -0.0003953500000000, 0.0003000000000000, 0.0004720500000000 ] - [ 0.0001735300000000, 0.0010058600000000, -0.0011125300000000 ] - [ -0.0000019000000000, 0.0005450700000000, -0.0007332300000000 ] - [ 0.0015864800000000, -0.0023140400000000, -0.0008422500000000 ] - [ -0.0018974600000000, -0.0020932600000000, 0.0006116600000000 ] - [ 0.0017663300000000, 0.0003344600000000, 0.0060609800000000 ] - [ -0.0022318400000000, -0.0000737000000000, 0.0052154200000000 ] - [ -0.0000194100000000, 0.0001946400000000, 0.0004454000000000 ] - [ -0.0001010700000000, 0.0002377200000000, 0.0005104600000000 ] - [ -0.0016940700000000, -0.0002632200000000, 0.0052624100000000 ] - [ 0.0034442400000000, 0.0002175100000000, 0.0047817500000000 ] - [ 0.0004455600000000, -0.0001984800000000, -0.0003530700000000 ] - [ 0.0004535800000000, -0.0001105400000000, -0.0004414100000000 ] - [ -0.0003728900000000, 0.0008832500000000, 0.0023910100000000 ] - [ -0.0003852100000000, 0.0003937200000000, 0.0017801200000000 ] - [ 0.0002170300000000, -0.0000951800000000, 0.0027501300000000 ] - [ -0.0002883200000000, 0.0003251900000000, 0.0023772100000000 ]- atom: 17 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ -0.0002511500000000, -0.0006311800000000, 0.0007748700000000 ] - [ 0.0004527800000000, 0.0005839100000000, 0.0002416800000000 ] - [ -0.0002230000000000, 0.0003555000000000, 0.0005497900000000 ] - [ 0.0015254600000000, -0.0019100200000000, -0.0010758900000000 ] - [ 0.0065953100000000, 0.0038236200000000, -0.0117286900000000 ] - [ 0.0067260400000000, -0.0067468100000000, 0.0078604500000000 ] - [ 0.0000253300000000, -0.0000681400000000, -0.0004895200000000 ] - [ 0.0003479800000000, 0.0006291600000000, -0.0003486400000000 ] - [ 0.0088474600000000, -0.0134711700000000, -0.0079497100000000 ] - [ 0.0075036900000000, 0.0102933900000000, 0.0009722600000000 ] - [ 0.0007561600000000, 0.0017004000000000, 0.0002040900000000 ] - [ 0.0002412600000000, -0.0008675500000000, 0.0003236700000000 ] - [ 0.0095935300000000, -0.0027674900000000, 0.0162231500000000 ] - [ 0.0091415200000000, 0.0061169400000000, -0.0094937500000000 ] - [ 0.0000525100000000, -0.0001214800000000, 0.0001212700000000 ] - [ 0.0002889500000000, -0.0004105300000000, -0.0001327400000000 ] - [ -0.4597399900000000, 0.0922740500000000, -0.0375742300000000 ] - [ 0.0146128800000000, -0.0015616700000000, 0.0001383500000000 ] - [ -0.0003791000000000, -0.0003013100000000, -0.0003024100000000 ] - [ 0.0010882100000000, -0.0003512000000000, -0.0004310000000000 ] - [ -0.0101305000000000, 0.0005410000000000, -0.0005632100000000 ] - [ 0.0046933900000000, 0.0003913400000000, -0.0002057600000000 ] - [ 0.0000312300000000, 0.0003475200000000, -0.0005447200000000 ] - [ 0.0010076400000000, 0.0002214200000000, -0.0004151000000000 ] - [ 0.0015665900000000, -0.0011573400000000, 0.0001627700000000 ] - [ -0.0055482700000000, 0.0043775200000000, 0.0010805400000000 ] - [ 0.0015662300000000, 0.0000011800000000, 0.0006632400000000 ] - [ -0.0055450100000000, -0.0006832500000000, -0.0029488100000000 ] - [ 0.0045977000000000, -0.0016648500000000, 0.0014494400000000 ] - [ -0.0140640600000000, -0.0011828400000000, 0.0019730600000000 ] - [ 0.0012873800000000, 0.0004094100000000, 0.0004550600000000 ] - [ -0.0075539800000000, -0.0035117000000000, 0.0054939900000000 ] - [ 0.0044314000000000, 0.0025471200000000, 0.0018578000000000 ] - [ -0.0191049700000000, -0.0183177500000000, -0.0234980300000000 ] - [ 0.0006045500000000, 0.0000408700000000, -0.0003637500000000 ] - [ -0.0006774700000000, 0.0010436900000000, -0.0002588100000000 ] - [ -0.0021506800000000, -0.0015792100000000, -0.0015659300000000 ] - [ 0.0014825100000000, -0.0000415300000000, 0.0003484800000000 ] - [ -0.0181018700000000, 0.0205806000000000, 0.0001495000000000 ] - [ 0.0038456000000000, -0.0026576400000000, 0.0006469300000000 ] - [ -0.0033597400000000, 0.0015402600000000, 0.0028597100000000 ] - [ 0.0022248900000000, 0.0014321800000000, 0.0004652800000000 ] - [ -0.0008435600000000, 0.0005281000000000, 0.0000931700000000 ] - [ 0.0003030100000000, 0.0003216800000000, 0.0004251600000000 ] - [ 0.0046771500000000, -0.0011941300000000, -0.0032157300000000 ] - [ -0.0191111600000000, 0.0120601500000000, 0.0247966700000000 ] - [ 0.0004191900000000, -0.0003670400000000, -0.0006058700000000 ] - [ -0.0003276500000000, -0.0003357900000000, -0.0006560300000000 ] - [ 0.0000268200000000, -0.0010009200000000, -0.0002328300000000 ] - [ -0.0000178700000000, -0.0005052700000000, -0.0003217200000000 ] - [ 0.0018787400000000, 0.0006002300000000, 0.0002425800000000 ] - [ 0.0017370300000000, -0.0093954600000000, 0.0013121000000000 ] - [ 0.0027718200000000, -0.0008461000000000, 0.0001963500000000 ] - [ 0.0004028200000000, -0.0003469100000000, 0.0007539200000000 ] - [ 0.0000212200000000, -0.0006222800000000, 0.0002018300000000 ] - [ 0.0000075800000000, -0.0007533900000000, 0.0003112500000000 ] - [ 0.0003787600000000, 0.0063471400000000, 0.0061678000000000 ] - [ 0.0017822000000000, -0.0004264800000000, 0.0001311400000000 ] - [ 0.0000375900000000, 0.0003662500000000, 0.0005112700000000 ] - [ 0.0000762000000000, 0.0008066600000000, 0.0003421100000000 ] - [ -0.0001313400000000, 0.0007490300000000, -0.0002677100000000 ] - [ 0.0004043900000000, 0.0012683000000000, 0.0003866900000000 ] - [ -0.0000248200000000, 0.0007565100000000, -0.0003782200000000 ] - [ 0.0000418900000000, 0.0006845600000000, -0.0004397600000000 ] - [ 0.0136355400000000, -0.0009548800000000, -0.0034947700000000 ] - [ -0.0042949400000000, 0.0009784400000000, -0.0008753800000000 ] - [ 0.0005202600000000, 0.0007139200000000, -0.0010257000000000 ] - [ -0.0003038800000000, 0.0005028900000000, -0.0008947700000000 ] - [ 0.0037154700000000, 0.0007788100000000, 0.0025894200000000 ] - [ -0.0022996800000000, -0.0003933600000000, -0.0002945800000000 ] - [ 0.0004830500000000, -0.0001998200000000, 0.0008698500000000 ] - [ -0.0001688000000000, -0.0004285400000000, 0.0008072100000000 ] - [ 0.0018582300000000, -0.0002137400000000, -0.0008750200000000 ] - [ -0.0012072000000000, -0.0002606300000000, 0.0003979700000000 ] - [ 0.0007002200000000, -0.0002440900000000, 0.0012725100000000 ] - [ -0.0007179900000000, 0.0001629600000000, 0.0005084600000000 ] - [ 0.0708818800000000, 0.0538652000000000, -0.0271993800000000 ] - [ -0.0052557600000000, 0.0015861900000000, -0.0000736400000000 ] - [ 0.0001852100000000, 0.0007735000000000, 0.0001670900000000 ] - [ -0.0006566800000000, 0.0001677200000000, -0.0001675100000000 ] - [ 0.0084927900000000, -0.0009481000000000, 0.0004874500000000 ] - [ -0.0042334600000000, -0.0006727700000000, -0.0011479800000000 ] - [ 0.0003170600000000, -0.0007893500000000, -0.0006481200000000 ] - [ -0.0001423600000000, -0.0005014800000000, -0.0008330600000000 ] - [ 0.0036401000000000, 0.0018035200000000, -0.0037852000000000 ] - [ -0.0017338200000000, -0.0006991800000000, -0.0011163000000000 ] - [ 0.0018347100000000, 0.0004809600000000, -0.0010630000000000 ] - [ -0.0002319200000000, 0.0001723300000000, -0.0007604900000000 ] - [ 0.1745383700000000, -0.1359430000000000, 0.0605133500000000 ] - [ -0.0085823100000000, 0.0001260200000000, 0.0006935300000000 ] - [ 0.0004674800000000, -0.0002072900000000, 0.0006284600000000 ] - [ -0.0001387500000000, 0.0004365600000000, 0.0008260100000000 ] - [ -0.0021485900000000, 0.0003961600000000, 0.0019848900000000 ] - [ 0.0028566000000000, -0.0098511200000000, -0.0065968900000000 ] - [ -0.0003433900000000, 0.0000119100000000, 0.0003562400000000 ] - [ 0.0013140400000000, 0.0001276600000000, 0.0005019800000000 ] - [ -0.0013272700000000, 0.0004799300000000, 0.0009540100000000 ] - [ 0.0012061000000000, -0.0012102100000000, 0.0010593600000000 ] - [ -0.0038396700000000, -0.0013119400000000, 0.0006531000000000 ] - [ 0.0108849500000000, 0.0027275900000000, -0.0010442600000000 ] - [ -0.0057189300000000, 0.0025850400000000, -0.0021796900000000 ] - [ 0.0072915800000000, -0.0087037600000000, 0.0026294300000000 ] - [ -0.0007401800000000, -0.0003860200000000, -0.0011492800000000 ] - [ 0.0007442300000000, 0.0007984300000000, -0.0016156900000000 ] - [ -0.0005915900000000, 0.0008333600000000, -0.0001694700000000 ] - [ 0.0017422900000000, -0.0021527000000000, 0.0006097700000000 ] - [ -0.0011272700000000, -0.0007628700000000, -0.0002621800000000 ] - [ 0.0025999900000000, 0.0111030900000000, 0.0033307700000000 ] - [ -0.0025679400000000, -0.0008961600000000, -0.0006416400000000 ] - [ 0.0025313500000000, 0.0016486700000000, 0.0108696400000000 ] - [ -0.0005552000000000, 0.0001591700000000, 0.0004702600000000 ] - [ -0.0001868100000000, -0.0002553300000000, 0.0007143900000000 ] - [ -0.0004916900000000, 0.0004634300000000, -0.0007492400000000 ] - [ -0.0000358300000000, -0.0015696700000000, -0.0011838300000000 ] - [ -0.0016523000000000, -0.0009197700000000, 0.0000373000000000 ] - [ 0.0018679400000000, 0.0024039800000000, -0.0005071400000000 ] - [ 0.0035546900000000, -0.0015550800000000, -0.0022652600000000 ] - [ -0.0024385600000000, -0.0006516300000000, 0.0005755500000000 ] - [ 0.0000242300000000, -0.0001540000000000, -0.0001543900000000 ] - [ -0.0003593200000000, -0.0000806900000000, -0.0001813900000000 ] - [ -0.0066288100000000, -0.0013983100000000, -0.0012027200000000 ] - [ 0.1011569000000000, -0.0299518000000000, -0.0714278500000000 ] - [ -0.0002060300000000, 0.0001288200000000, -0.0003308400000000 ] - [ 0.0003309900000000, -0.0002284800000000, -0.0005016700000000 ] - [ -0.0017091700000000, 0.0012775000000000, -0.0001566900000000 ] - [ 0.0015654100000000, -0.0007016500000000, 0.0005989300000000 ] - [ -0.0002812000000000, 0.0004577600000000, 0.0008581100000000 ] - [ 0.0002247000000000, 0.0009135200000000, 0.0010422000000000 ] - [ -0.0020653900000000, 0.0002866000000000, 0.0008688400000000 ] - [ 0.0036560100000000, 0.0006818800000000, -0.0105432200000000 ] - [ -0.0001412500000000, 0.0000114700000000, -0.0002050100000000 ] - [ 0.0002102500000000, -0.0000917400000000, -0.0001387400000000 ] - [ 0.0034214600000000, 0.0038904600000000, 0.0003590400000000 ] - [ -0.0021836600000000, -0.0003753100000000, 0.0009784800000000 ] - [ 0.0034188700000000, -0.0075351700000000, -0.0048085600000000 ] - [ -0.0014011000000000, 0.0006196500000000, 0.0002928800000000 ] - [ 0.0024759900000000, -0.0001323300000000, 0.0009439900000000 ] - [ -0.0008108400000000, -0.0004327800000000, -0.0008665700000000 ] - [ 0.0026244100000000, -0.0073674800000000, 0.0051785000000000 ] - [ -0.0010398500000000, 0.0007948500000000, -0.0008159400000000 ] - [ -0.0069060300000000, 0.0003764200000000, 0.0019052000000000 ] - [ 0.0984006900000000, 0.0274196800000000, 0.0701511700000000 ] - [ -0.0006298700000000, -0.0000231900000000, 0.0006877400000000 ] - [ -0.0000971000000000, 0.0000681500000000, 0.0007010900000000 ]- atom: 17 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ 0.0000391700000000, 0.0003900000000000, -0.0004635400000000 ] - [ -0.0006549400000000, -0.0008283100000000, 0.0000744800000000 ] - [ 0.0000111200000000, -0.0005953900000000, -0.0002270500000000 ] - [ -0.0017189600000000, 0.0016649100000000, 0.0013892400000000 ] - [ -0.0064057700000000, -0.0035348200000000, 0.0113544000000000 ] - [ -0.0065046200000000, 0.0070002600000000, -0.0082368400000000 ] - [ 0.0001783300000000, 0.0003143200000000, 0.0001776100000000 ] - [ -0.0001370300000000, -0.0003838000000000, 0.0000346400000000 ] - [ -0.0090815100000000, 0.0136466800000000, 0.0082876500000000 ] - [ -0.0077012600000000, -0.0101076400000000, -0.0006969200000000 ] - [ -0.0009734300000000, -0.0014559600000000, 0.0001071600000000 ] - [ -0.0004455800000000, 0.0011222900000000, -0.0000102700000000 ] - [ -0.0094099300000000, 0.0024558300000000, -0.0164850500000000 ] - [ -0.0089252100000000, -0.0063710500000000, 0.0092671500000000 ] - [ 0.0001508600000000, -0.0001212600000000, -0.0004345200000000 ] - [ -0.0000790100000000, 0.0001676900000000, -0.0001799400000000 ] - [ 0.4590864100000000, -0.0876217200000000, 0.0341988900000000 ] - [ -0.0135679500000000, 0.0011279100000000, -0.0010893700000000 ] - [ 0.0014376000000000, -0.0001435900000000, -0.0006428300000000 ] - [ -0.0000338400000000, -0.0000947700000000, -0.0005127200000000 ] - [ 0.0111664700000000, -0.0000968800000000, -0.0003817200000000 ] - [ -0.0036338400000000, 0.0000565000000000, -0.0007383500000000 ] - [ 0.0010255400000000, 0.0001029600000000, -0.0003985400000000 ] - [ 0.0000474700000000, 0.0002299300000000, -0.0005290200000000 ] - [ -0.0026239900000000, 0.0007004900000000, 0.0007784200000000 ] - [ 0.0044911300000000, -0.0048201600000000, -0.0001321100000000 ] - [ -0.0026255100000000, -0.0004426700000000, 0.0002725000000000 ] - [ 0.0045034800000000, 0.0002296800000000, 0.0039001900000000 ] - [ -0.0056626800000000, 0.0021055300000000, -0.0005022500000000 ] - [ 0.0130911600000000, 0.0016667300000000, -0.0010430700000000 ] - [ -0.0023444200000000, 0.0000543500000000, 0.0004932900000000 ] - [ 0.0065031200000000, 0.0039522300000000, -0.0045503500000000 ] - [ -0.0042362300000000, -0.0014817200000000, -0.0027932800000000 ] - [ 0.0191738300000000, 0.0193255400000000, 0.0225121700000000 ] - [ -0.0004107400000000, 0.0010042000000000, -0.0006031600000000 ] - [ 0.0008750300000000, 0.0000008300000000, -0.0007099800000000 ] - [ 0.0019630500000000, 0.0005438100000000, 0.0025419200000000 ] - [ -0.0016830300000000, -0.0010073900000000, 0.0006179600000000 ] - [ 0.0180247800000000, -0.0216829000000000, 0.0008250200000000 ] - [ -0.0040415400000000, 0.0016428500000000, 0.0003171700000000 ] - [ 0.0031702700000000, -0.0004932300000000, -0.0019035100000000 ] - [ -0.0024234900000000, -0.0003904500000000, 0.0005039900000000 ] - [ 0.0006514800000000, 0.0005146300000000, 0.0008763000000000 ] - [ -0.0004981000000000, 0.0007277900000000, 0.0005457400000000 ] - [ -0.0044811600000000, 0.0001276200000000, 0.0022101400000000 ] - [ 0.0191780700000000, -0.0130755800000000, -0.0257241300000000 ] - [ -0.0002249600000000, -0.0006765900000000, -0.0003632400000000 ] - [ 0.0005232400000000, -0.0007118300000000, -0.0003121400000000 ] - [ -0.0000551200000000, -0.0004368200000000, -0.0004350300000000 ] - [ -0.0000074900000000, -0.0009336400000000, -0.0003462300000000 ] - [ -0.0019061300000000, -0.0020275800000000, -0.0009070900000000 ] - [ -0.0017544400000000, 0.0079794600000000, -0.0019415700000000 ] - [ -0.0027273900000000, -0.0005981600000000, 0.0004576800000000 ] - [ -0.0003720800000000, -0.0010928900000000, -0.0000879400000000 ] - [ 0.0000048400000000, -0.0008169100000000, 0.0004656600000000 ] - [ 0.0000196400000000, -0.0006845500000000, 0.0003559500000000 ] - [ -0.0003758100000000, -0.0048727300000000, -0.0055161300000000 ] - [ -0.0017525900000000, 0.0018724700000000, 0.0005396500000000 ] - [ -0.0000117200000000, 0.0010751100000000, 0.0001538200000000 ] - [ -0.0000491600000000, 0.0006311500000000, 0.0003254200000000 ] - [ 0.0001030200000000, 0.0006887100000000, -0.0004016600000000 ] - [ -0.0004295300000000, 0.0001720500000000, -0.0010514000000000 ] - [ -0.0000022500000000, 0.0006821400000000, -0.0002891100000000 ] - [ -0.0000676100000000, 0.0007539400000000, -0.0002271500000000 ] - [ -0.0135052100000000, 0.0019274100000000, 0.0017962600000000 ] - [ 0.0044129600000000, 0.0000369100000000, -0.0007905100000000 ] - [ -0.0003934300000000, 0.0003088300000000, -0.0006269800000000 ] - [ 0.0004305200000000, 0.0005225700000000, -0.0007611900000000 ] - [ -0.0033894800000000, -0.0012485700000000, -0.0009318500000000 ] - [ 0.0026055800000000, -0.0000844300000000, 0.0019553200000000 ] - [ -0.0001716700000000, -0.0002778100000000, 0.0007895000000000 ] - [ 0.0004772900000000, -0.0000485000000000, 0.0008524500000000 ] - [ -0.0018910400000000, 0.0001019900000000, 0.0014953000000000 ] - [ 0.0011693700000000, 0.0001526600000000, 0.0002190100000000 ] - [ -0.0007366600000000, 0.0001345600000000, -0.0006628500000000 ] - [ 0.0006791700000000, -0.0002771600000000, 0.0001095200000000 ] - [ -0.0709408200000000, -0.0516005600000000, 0.0259368300000000 ] - [ 0.0048880100000000, -0.0012435900000000, -0.0003465300000000 ] - [ -0.0005672100000000, -0.0004120200000000, -0.0005973900000000 ] - [ 0.0002744300000000, 0.0002021300000000, -0.0002607500000000 ] - [ -0.0083819500000000, -0.0000390200000000, -0.0020591400000000 ] - [ 0.0043521900000000, -0.0003454200000000, -0.0004915600000000 ] - [ -0.0001879200000000, -0.0002347000000000, -0.0010053100000000 ] - [ 0.0002681300000000, -0.0005249100000000, -0.0008207400000000 ] - [ -0.0028599900000000, -0.0018623300000000, 0.0024755600000000 ] - [ 0.0025257000000000, 0.0006595100000000, -0.0002196400000000 ] - [ -0.0010419700000000, -0.0005228900000000, -0.0002671100000000 ] - [ 0.0010163000000000, -0.0002205700000000, -0.0005760500000000 ] - [ -0.1690145300000000, 0.1292451200000000, -0.0556516000000000 ] - [ 0.0089375700000000, 0.0003709200000000, 0.0009566100000000 ] - [ -0.0001555400000000, 0.0006831000000000, 0.0010293900000000 ] - [ 0.0004473900000000, 0.0000385200000000, 0.0008320000000000 ] - [ 0.0025388500000000, -0.0000103500000000, -0.0015533300000000 ] - [ -0.0024694700000000, 0.0101822300000000, 0.0070098000000000 ] - [ 0.0007269800000000, 0.0003528300000000, 0.0000742800000000 ] - [ -0.0009394100000000, 0.0002451800000000, -0.0000705700000000 ] - [ 0.0012023900000000, -0.0015062000000000, 0.0006990200000000 ] - [ -0.0013412900000000, 0.0001843100000000, 0.0005953200000000 ] - [ 0.0037197800000000, 0.0002745400000000, 0.0010019900000000 ] - [ -0.0110241100000000, -0.0038014600000000, 0.0026826900000000 ] - [ 0.0054366000000000, -0.0030531700000000, 0.0005183200000000 ] - [ -0.0076660400000000, 0.0082909500000000, -0.0043177000000000 ] - [ 0.0004352500000000, -0.0000971600000000, -0.0005098100000000 ] - [ -0.0010607000000000, -0.0012721500000000, -0.0000463100000000 ] - [ 0.0009785600000000, -0.0012010800000000, 0.0005963600000000 ] - [ -0.0013692000000000, 0.0017924300000000, -0.0001837700000000 ] - [ 0.0015102700000000, 0.0003809600000000, 0.0006854700000000 ] - [ -0.0022150500000000, -0.0114375800000000, -0.0028991500000000 ] - [ 0.0017848900000000, 0.0008574300000000, 0.0019624200000000 ] - [ -0.0033064100000000, -0.0016869900000000, -0.0094831000000000 ] - [ -0.0002318500000000, -0.0002031800000000, 0.0008613200000000 ] - [ -0.0006024200000000, 0.0002118600000000, 0.0006161600000000 ] - [ 0.0001862200000000, 0.0000158700000000, -0.0009069700000000 ] - [ -0.0002776200000000, 0.0020394600000000, -0.0004758600000000 ] - [ 0.0013459400000000, 0.0013943300000000, -0.0016931500000000 ] - [ -0.0021876500000000, -0.0019267400000000, -0.0011502000000000 ] - [ -0.0039291000000000, 0.0011838300000000, 0.0018419500000000 ] - [ 0.0020561600000000, 0.0002863400000000, -0.0010065200000000 ] - [ -0.0004063300000000, -0.0002152500000000, -0.0002751900000000 ] - [ -0.0000233400000000, -0.0002913500000000, -0.0002490400000000 ] - [ 0.0066497600000000, 0.0012742500000000, 0.0005583200000000 ] - [ -0.1029825500000000, 0.0315962600000000, 0.0746693600000000 ] - [ 0.0002467000000000, -0.0002410200000000, -0.0002868000000000 ] - [ -0.0002944700000000, 0.0001161800000000, -0.0001144100000000 ] - [ 0.0015882700000000, -0.0002529200000000, 0.0018121800000000 ] - [ -0.0017007100000000, 0.0017254400000000, 0.0010494100000000 ] - [ 0.0001558900000000, 0.0005655100000000, 0.0007958700000000 ] - [ -0.0003541000000000, 0.0001125900000000, 0.0006113600000000 ] - [ 0.0021045200000000, -0.0001763800000000, -0.0014740200000000 ] - [ -0.0036063800000000, -0.0005640500000000, 0.0098884200000000 ] - [ 0.0001812100000000, 0.0000985000000000, -0.0004103300000000 ] - [ -0.0001712100000000, 0.0002028700000000, -0.0004768800000000 ] - [ -0.0034680700000000, -0.0038075500000000, 0.0002499800000000 ] - [ 0.0021505700000000, 0.0004924900000000, -0.0003621200000000 ] - [ -0.0034621100000000, 0.0076736200000000, 0.0054416500000000 ] - [ 0.0013628400000000, -0.0005195100000000, 0.0003179100000000 ] - [ -0.0016886400000000, 0.0001699100000000, -0.0022770200000000 ] - [ 0.0015979000000000, 0.0004794700000000, -0.0004633000000000 ] - [ -0.0018512400000000, 0.0074624000000000, -0.0065515500000000 ] - [ 0.0018260300000000, -0.0007608600000000, -0.0005054300000000 ] - [ 0.0061012800000000, -0.0003179100000000, -0.0005421500000000 ] - [ -0.1010377200000000, -0.0289315400000000, -0.0726276400000000 ] - [ -0.0001547400000000, 0.0000659100000000, 0.0006452800000000 ] - [ -0.0006911700000000, -0.0000248900000000, 0.0006319600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009164600000000, 0.0024959500000000, -0.0007164400000000 ] - [ 0.0008997200000000, 0.0020108700000000, -0.0006846300000000 ] - [ 0.0019777300000000, -0.0002456500000000, 0.0014280100000000 ] - [ -0.0023434000000000, -0.0007603700000000, 0.0013743000000000 ] - [ 0.0094238600000000, -0.0070091100000000, -0.0112643500000000 ] - [ -0.0024042600000000, -0.0092248300000000, -0.0029921200000000 ] - [ -0.0001661900000000, 0.0034792000000000, 0.0003123400000000 ] - [ 0.0004431700000000, 0.0033514700000000, 0.0001611900000000 ] - [ -0.0129884800000000, 0.0116003500000000, 0.0073163300000000 ] - [ 0.0088381900000000, 0.0042492000000000, 0.0033282600000000 ] - [ 0.0027827300000000, 0.0055649000000000, -0.0001402200000000 ] - [ -0.0029180900000000, 0.0048963100000000, -0.0001656600000000 ] - [ -0.0072345500000000, -0.0063667300000000, -0.0121044100000000 ] - [ 0.0012667300000000, -0.0104710700000000, -0.0030568100000000 ] - [ 0.0005289500000000, 0.0032557700000000, 0.0002267800000000 ] - [ -0.0005337500000000, 0.0033676300000000, 0.0004217600000000 ] - [ 0.0849200800000000, -0.4471764500000000, 0.0058724300000000 ] - [ -0.0008254000000000, -0.0088524600000000, -0.0002670800000000 ] - [ 0.0004499700000000, 0.0065219400000000, -0.0004854100000000 ] - [ 0.0003997600000000, 0.0045402300000000, -0.0004177000000000 ] - [ 0.0002049000000000, -0.0124781900000000, 0.0049630100000000 ] - [ 0.0003576900000000, -0.0046369700000000, -0.0004346400000000 ] - [ 0.0004088400000000, 0.0051871600000000, -0.0011202900000000 ] - [ 0.0005324200000000, 0.0040664200000000, -0.0007889700000000 ] - [ -0.0007533600000000, 0.0014012400000000, 0.0013924300000000 ] - [ -0.0000708200000000, 0.0040611200000000, 0.0031950700000000 ] - [ 0.0003964300000000, 0.0013843000000000, -0.0005279600000000 ] - [ -0.0051327100000000, 0.0040525700000000, -0.0078815700000000 ] - [ -0.0024273900000000, 0.0033517100000000, -0.0013063200000000 ] - [ -0.0018976300000000, 0.0154616300000000, -0.0069485800000000 ] - [ -0.0003515800000000, 0.0013391100000000, 0.0019844800000000 ] - [ -0.0042573600000000, 0.0084664100000000, 0.0084591200000000 ] - [ -0.0008104600000000, -0.0036999800000000, -0.0008771900000000 ] - [ -0.0061132300000000, 0.0074488300000000, 0.0206587000000000 ] - [ 0.0000537500000000, 0.0036113300000000, -0.0005405100000000 ] - [ -0.0000901900000000, 0.0055328500000000, -0.0006998600000000 ] - [ 0.0003907900000000, 0.0055340200000000, 0.0028931500000000 ] - [ -0.0008836600000000, 0.0023178400000000, 0.0010838100000000 ] - [ -0.0015120100000000, 0.0489712300000000, -0.0097527900000000 ] - [ 0.0027844200000000, -0.0028801800000000, 0.0004970200000000 ] - [ 0.0006305900000000, -0.0024634300000000, -0.0028487300000000 ] - [ -0.0014383500000000, -0.0016348400000000, -0.0003113500000000 ] - [ -0.0005637500000000, 0.0043382400000000, 0.0014342400000000 ] - [ 0.0001300500000000, 0.0026133800000000, 0.0007262700000000 ] - [ 0.0008138500000000, -0.0038655600000000, 0.0007947300000000 ] - [ 0.0028303500000000, 0.0034131000000000, 0.0219867500000000 ] - [ 0.0000428200000000, 0.0022725100000000, -0.0005880700000000 ] - [ 0.0001191200000000, 0.0039340800000000, -0.0004501400000000 ] - [ -0.0002324200000000, 0.0002138300000000, -0.0005245900000000 ] - [ 0.0001430200000000, 0.0004921300000000, -0.0003811000000000 ] - [ 0.0035088900000000, -0.0008271000000000, 0.0013342200000000 ] - [ -0.0057098500000000, 0.0037952500000000, 0.0018432100000000 ] - [ -0.0003433300000000, -0.0000402400000000, 0.0005452300000000 ] - [ 0.0004443700000000, -0.0010912400000000, 0.0007751800000000 ] - [ 0.0001543000000000, 0.0000994700000000, 0.0001964500000000 ] - [ -0.0001280100000000, -0.0001905400000000, 0.0002452800000000 ] - [ 0.0047679400000000, 0.0040083400000000, 0.0084617300000000 ] - [ -0.0012876200000000, 0.0004360400000000, 0.0004795000000000 ] - [ -0.0002206100000000, 0.0020509900000000, -0.0000076600000000 ] - [ 0.0001724700000000, 0.0015059300000000, 0.0002601800000000 ] - [ -0.0002759700000000, 0.0001267200000000, -0.0004918600000000 ] - [ 0.0002889400000000, 0.0001862800000000, 0.0002998500000000 ] - [ 0.0001127900000000, 0.0013180400000000, -0.0003400700000000 ] - [ -0.0001142100000000, 0.0013759400000000, -0.0004709600000000 ] - [ -0.0031801800000000, 0.0025269500000000, -0.0075801400000000 ] - [ 0.0020545400000000, 0.0021917800000000, -0.0008046600000000 ] - [ 0.0003056200000000, -0.0018079100000000, -0.0005849200000000 ] - [ -0.0000669800000000, -0.0010586800000000, -0.0008409000000000 ] - [ 0.0015572900000000, 0.0041392600000000, 0.0015236900000000 ] - [ 0.0010451400000000, 0.0023043900000000, 0.0005186400000000 ] - [ -0.0004555900000000, -0.0027402800000000, 0.0008605800000000 ] - [ -0.0005175100000000, -0.0022408200000000, 0.0008482800000000 ] - [ 0.0001067900000000, -0.0006894900000000, 0.0002603800000000 ] - [ 0.0002192400000000, -0.0001078900000000, 0.0001978500000000 ] - [ 0.0001419000000000, -0.0018873000000000, 0.0022096200000000 ] - [ -0.0000541300000000, -0.0009987400000000, 0.0007359200000000 ] - [ 0.0565504700000000, 0.1420201200000000, -0.0447548100000000 ] - [ 0.0006125500000000, 0.0051514600000000, -0.0005439400000000 ] - [ 0.0000120400000000, -0.0050771300000000, -0.0000940400000000 ] - [ -0.0000622200000000, -0.0030922900000000, 0.0001045100000000 ] - [ 0.0031023000000000, 0.0016306200000000, -0.0062952200000000 ] - [ -0.0015968100000000, 0.0010706600000000, -0.0018180200000000 ] - [ 0.0000297000000000, -0.0027254000000000, -0.0005521100000000 ] - [ 0.0003275900000000, -0.0019860200000000, -0.0005608300000000 ] - [ 0.0008757700000000, -0.0019232000000000, 0.0043173200000000 ] - [ 0.0008228800000000, 0.0003780200000000, 0.0007154100000000 ] - [ 0.0000216100000000, -0.0027162100000000, -0.0034492300000000 ] - [ 0.0005224300000000, -0.0009132600000000, -0.0013517900000000 ] - [ -0.1307227100000000, 0.1597331800000000, -0.0501736800000000 ] - [ -0.0016095200000000, 0.0045327400000000, 0.0020973400000000 ] - [ 0.0008165000000000, -0.0036695200000000, 0.0006458600000000 ] - [ 0.0012096700000000, -0.0023918000000000, 0.0006343600000000 ] - [ 0.0017793800000000, 0.0011307000000000, -0.0011498200000000 ] - [ -0.0006530300000000, -0.0010549300000000, -0.0024562400000000 ] - [ -0.0004676400000000, -0.0020120400000000, 0.0004134300000000 ] - [ 0.0011499100000000, -0.0041445700000000, 0.0009736800000000 ] - [ 0.0008056400000000, -0.0026089100000000, 0.0005301100000000 ] - [ -0.0007571000000000, -0.0030784400000000, 0.0000077300000000 ] - [ -0.0051635400000000, -0.0008744100000000, 0.0005267100000000 ] - [ 0.0099514600000000, -0.0090509400000000, 0.0026473700000000 ] - [ 0.0041655500000000, -0.0024089500000000, 0.0010212900000000 ] - [ -0.0065922000000000, -0.0075590100000000, 0.0061725800000000 ] - [ -0.0007491000000000, -0.0018065100000000, -0.0017196400000000 ] - [ 0.0023027200000000, -0.0045617900000000, -0.0021952200000000 ] - [ 0.0007001900000000, -0.0031610600000000, 0.0010350000000000 ] - [ 0.0002785500000000, -0.0065556400000000, 0.0021553200000000 ] - [ -0.0009482600000000, 0.0014286500000000, -0.0004750900000000 ] - [ 0.0021717700000000, -0.0006907800000000, -0.0033609500000000 ] - [ 0.0000059700000000, 0.0030637400000000, 0.0003779300000000 ] - [ 0.0005456000000000, 0.0037201000000000, -0.0088297700000000 ] - [ -0.0003224500000000, -0.0018719900000000, 0.0012955300000000 ] - [ -0.0003747800000000, -0.0025841900000000, 0.0018210000000000 ] - [ -0.0001639200000000, -0.0010722600000000, -0.0009749200000000 ] - [ -0.0011287600000000, -0.0020150600000000, -0.0014462300000000 ] - [ -0.0018857000000000, -0.0005615000000000, 0.0004697200000000 ] - [ 0.0021497000000000, 0.0014584200000000, 0.0014651200000000 ] - [ -0.0011788000000000, 0.0051443400000000, 0.0007391200000000 ] - [ -0.0000726000000000, 0.0027395100000000, 0.0000681400000000 ] - [ -0.0001945600000000, -0.0038520400000000, -0.0007207000000000 ] - [ -0.0000688700000000, -0.0026605400000000, -0.0005864600000000 ] - [ 0.0011088700000000, 0.0053390500000000, 0.0003211800000000 ] - [ -0.0318932300000000, 0.0515951300000000, 0.0406919100000000 ] - [ -0.0000371500000000, -0.0023706900000000, -0.0008352700000000 ] - [ -0.0000984600000000, -0.0032948100000000, -0.0011326300000000 ] - [ 0.0012318200000000, 0.0004800100000000, 0.0019561100000000 ] - [ -0.0010873700000000, 0.0017239700000000, 0.0014494200000000 ] - [ -0.0003260200000000, -0.0005360300000000, 0.0008087800000000 ] - [ 0.0004994200000000, -0.0009240000000000, 0.0006315500000000 ] - [ -0.0010571500000000, 0.0037064300000000, -0.0010149700000000 ] - [ -0.0001024900000000, 0.0059351200000000, -0.0100502000000000 ] - [ 0.0001754100000000, -0.0019526200000000, 0.0003039200000000 ] - [ 0.0002290400000000, -0.0026737500000000, 0.0006217500000000 ] - [ -0.0001257500000000, -0.0064293000000000, -0.0007533000000000 ] - [ -0.0003707200000000, -0.0018518000000000, -0.0000437200000000 ] - [ 0.0001003100000000, -0.0126835200000000, -0.0065271200000000 ] - [ 0.0002578700000000, -0.0001090100000000, -0.0004549700000000 ] - [ 0.0000636300000000, -0.0025848600000000, -0.0018558500000000 ] - [ 0.0001141300000000, -0.0011695300000000, -0.0010553000000000 ] - [ 0.0000069200000000, -0.0103193100000000, 0.0092963600000000 ] - [ 0.0003838900000000, 0.0001794800000000, 0.0002333800000000 ] - [ 0.0011190900000000, 0.0041131700000000, -0.0002409900000000 ] - [ 0.0273632900000000, 0.0486359300000000, 0.0380644500000000 ] - [ -0.0006258200000000, -0.0020419000000000, 0.0002226500000000 ] - [ -0.0005575200000000, -0.0027072500000000, -0.0000702900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007182400000000, -0.0027355300000000, 0.0010344500000000 ] - [ -0.0011176300000000, -0.0022547900000000, 0.0010118100000000 ] - [ -0.0021798600000000, -0.0000094900000000, -0.0011108000000000 ] - [ 0.0021341200000000, 0.0004988500000000, -0.0010601100000000 ] - [ -0.0092366300000000, 0.0072301300000000, 0.0109841900000000 ] - [ 0.0026121900000000, 0.0094168500000000, 0.0026746500000000 ] - [ 0.0003791600000000, -0.0032347100000000, -0.0006290500000000 ] - [ -0.0002405000000000, -0.0031090500000000, -0.0004787400000000 ] - [ 0.0128752100000000, -0.0113347500000000, -0.0069966900000000 ] - [ -0.0091207700000000, -0.0039809400000000, -0.0030817900000000 ] - [ -0.0029787400000000, -0.0053264300000000, 0.0004443100000000 ] - [ 0.0026926300000000, -0.0046360800000000, 0.0004758900000000 ] - [ 0.0074282700000000, 0.0061569900000000, 0.0117387300000000 ] - [ -0.0010691200000000, 0.0103152700000000, 0.0027548900000000 ] - [ -0.0003170500000000, -0.0035050100000000, -0.0005370700000000 ] - [ 0.0007344700000000, -0.0036153600000000, -0.0007299700000000 ] - [ -0.0949057400000000, 0.4432166900000000, -0.0058981600000000 ] - [ 0.0018602000000000, 0.0084015400000000, -0.0006733300000000 ] - [ 0.0006054200000000, -0.0069813400000000, -0.0004628200000000 ] - [ 0.0006529800000000, -0.0049919100000000, -0.0005269000000000 ] - [ 0.0008283400000000, 0.0129280800000000, -0.0059025900000000 ] - [ 0.0006905000000000, 0.0050911300000000, -0.0005101700000000 ] - [ 0.0006519000000000, -0.0047423400000000, 0.0001827700000000 ] - [ 0.0005221200000000, -0.0036199000000000, -0.0001545600000000 ] - [ -0.0003085500000000, -0.0018323100000000, -0.0004510300000000 ] - [ -0.0009855900000000, -0.0044984600000000, -0.0022637700000000 ] - [ -0.0014569200000000, -0.0018493100000000, 0.0014689600000000 ] - [ 0.0040853100000000, -0.0045071400000000, 0.0088035500000000 ] - [ 0.0013475100000000, -0.0028745000000000, 0.0022482500000000 ] - [ 0.0009718300000000, -0.0151443600000000, 0.0079858700000000 ] - [ -0.0007063700000000, -0.0009070000000000, -0.0010368600000000 ] - [ 0.0031920800000000, -0.0079955500000000, -0.0074657500000000 ] - [ 0.0010052600000000, 0.0047281200000000, -0.0000968500000000 ] - [ 0.0062562800000000, -0.0065550400000000, -0.0215548700000000 ] - [ 0.0001380900000000, -0.0025635300000000, -0.0004256300000000 ] - [ 0.0002940100000000, -0.0045141900000000, -0.0002640300000000 ] - [ -0.0005840100000000, -0.0066001700000000, -0.0019561400000000 ] - [ 0.0006836400000000, -0.0033603300000000, -0.0001197700000000 ] - [ 0.0015975100000000, -0.0496441600000000, 0.0104974000000000 ] - [ -0.0029905400000000, 0.0018187300000000, 0.0004702800000000 ] - [ -0.0008203100000000, 0.0035440300000000, 0.0038411300000000 ] - [ 0.0012358400000000, 0.0026942000000000, 0.0012827200000000 ] - [ 0.0003690500000000, -0.0033002800000000, -0.0004599100000000 ] - [ -0.0003252500000000, -0.0015755800000000, 0.0002435100000000 ] - [ -0.0006175100000000, 0.0028348800000000, -0.0017552000000000 ] - [ -0.0026844900000000, -0.0042921200000000, -0.0229668500000000 ] - [ 0.0001494400000000, -0.0033250700000000, -0.0003820500000000 ] - [ 0.0000783800000000, -0.0049827800000000, -0.0005193200000000 ] - [ 0.0002072900000000, -0.0016523300000000, -0.0001413600000000 ] - [ -0.0001723800000000, -0.0019376600000000, -0.0002872500000000 ] - [ -0.0035415200000000, -0.0006221200000000, -0.0019997500000000 ] - [ 0.0056056500000000, -0.0052139700000000, -0.0024576400000000 ] - [ 0.0003780700000000, -0.0014138200000000, 0.0001205800000000 ] - [ -0.0004156900000000, -0.0003428600000000, -0.0001068600000000 ] - [ -0.0001265800000000, -0.0015404800000000, 0.0004695900000000 ] - [ 0.0001541000000000, -0.0012497200000000, 0.0004205500000000 ] - [ -0.0046863100000000, -0.0025627100000000, -0.0077790900000000 ] - [ 0.0013191400000000, 0.0009934600000000, 0.0001874400000000 ] - [ 0.0002504500000000, -0.0006161900000000, 0.0006756200000000 ] - [ -0.0001485100000000, -0.0000680900000000, 0.0004056000000000 ] - [ 0.0002498700000000, 0.0013155700000000, -0.0001758500000000 ] - [ -0.0003180600000000, 0.0012612600000000, -0.0009652400000000 ] - [ -0.0001393100000000, 0.0001191500000000, -0.0003261100000000 ] - [ 0.0000866000000000, 0.0000615000000000, -0.0001958300000000 ] - [ 0.0033280500000000, -0.0014736700000000, 0.0059391100000000 ] - [ -0.0019325700000000, -0.0011623400000000, -0.0008418400000000 ] - [ -0.0001855700000000, 0.0028388300000000, -0.0010699900000000 ] - [ 0.0002005600000000, 0.0020825600000000, -0.0008110200000000 ] - [ -0.0012376000000000, -0.0046056400000000, 0.0001314700000000 ] - [ -0.0007340400000000, -0.0027766500000000, 0.0011385700000000 ] - [ 0.0007647000000000, 0.0022670300000000, 0.0007983100000000 ] - [ 0.0008313500000000, 0.0017679900000000, 0.0008123500000000 ] - [ -0.0001507900000000, 0.0005680500000000, 0.0003512000000000 ] - [ -0.0002552900000000, -0.0000115000000000, 0.0004183800000000 ] - [ -0.0001807600000000, 0.0017832400000000, -0.0015992900000000 ] - [ 0.0000164100000000, 0.0008936000000000, -0.0001212200000000 ] - [ -0.0523132400000000, -0.1346512100000000, 0.0408024300000000 ] - [ -0.0009917900000000, -0.0047682800000000, 0.0001127600000000 ] - [ -0.0003972800000000, 0.0054615700000000, -0.0003293100000000 ] - [ -0.0003174400000000, 0.0034633600000000, -0.0005326300000000 ] - [ -0.0029577400000000, -0.0026616100000000, 0.0046568400000000 ] - [ 0.0017184500000000, -0.0021054700000000, 0.0001635900000000 ] - [ 0.0000984000000000, 0.0017059000000000, -0.0010964500000000 ] - [ -0.0001984500000000, 0.0009652800000000, -0.0010901000000000 ] - [ -0.0001187900000000, 0.0018659100000000, -0.0056860100000000 ] - [ -0.0000185600000000, -0.0004318200000000, -0.0020524500000000 ] - [ 0.0007672000000000, 0.0026732000000000, 0.0021075400000000 ] - [ 0.0002666000000000, 0.0008764000000000, 0.0000195300000000 ] - [ 0.1378555200000000, -0.1633266800000000, 0.0546100400000000 ] - [ 0.0019284700000000, -0.0040830000000000, -0.0004330200000000 ] - [ -0.0005081300000000, 0.0041455900000000, 0.0010114600000000 ] - [ -0.0008949200000000, 0.0028687900000000, 0.0010243800000000 ] - [ -0.0013954000000000, -0.0007761900000000, 0.0015758500000000 ] - [ 0.0010347700000000, 0.0013818200000000, 0.0028936400000000 ] - [ 0.0008474200000000, 0.0023904800000000, 0.0000199100000000 ] - [ -0.0007773600000000, 0.0045209000000000, -0.0005364700000000 ] - [ -0.0009358600000000, 0.0015821200000000, 0.0011208600000000 ] - [ 0.0006300000000000, 0.0020663500000000, 0.0016550400000000 ] - [ 0.0050460700000000, -0.0001341300000000, 0.0011207600000000 ] - [ -0.0100617400000000, 0.0079545200000000, -0.0009921500000000 ] - [ -0.0044464800000000, 0.0018927900000000, -0.0026759900000000 ] - [ 0.0063611600000000, 0.0072331600000000, -0.0079578900000000 ] - [ 0.0004331100000000, 0.0013384100000000, 0.0000568700000000 ] - [ -0.0026146600000000, 0.0040844400000000, 0.0005259800000000 ] - [ -0.0003132200000000, 0.0027806700000000, -0.0006067000000000 ] - [ 0.0000924000000000, 0.0062403900000000, -0.0017492200000000 ] - [ 0.0013282200000000, -0.0017839700000000, 0.0009031500000000 ] - [ -0.0017890300000000, 0.0003530100000000, 0.0037667400000000 ] - [ -0.0007889700000000, -0.0031012900000000, 0.0009581400000000 ] - [ -0.0013238700000000, -0.0037514700000000, 0.0102165200000000 ] - [ -0.0004645200000000, 0.0018306000000000, 0.0000338200000000 ] - [ -0.0004132600000000, 0.0025515600000000, -0.0005007700000000 ] - [ -0.0001479100000000, 0.0015422700000000, -0.0006822100000000 ] - [ 0.0008179700000000, 0.0024866400000000, -0.0002088300000000 ] - [ 0.0015787700000000, 0.0010450300000000, -0.0021304600000000 ] - [ -0.0024589300000000, -0.0009729900000000, -0.0031130500000000 ] - [ 0.0007927300000000, -0.0055411200000000, -0.0011675700000000 ] - [ -0.0003070700000000, -0.0031200200000000, -0.0005002300000000 ] - [ -0.0001884500000000, 0.0034887900000000, 0.0002906900000000 ] - [ -0.0003102100000000, 0.0022981200000000, 0.0001561800000000 ] - [ -0.0010501600000000, -0.0054397300000000, -0.0009314900000000 ] - [ 0.0314954100000000, -0.0519751100000000, -0.0408316700000000 ] - [ 0.0000782600000000, 0.0022611900000000, 0.0002185600000000 ] - [ 0.0001373800000000, 0.0031942400000000, 0.0005198200000000 ] - [ -0.0013499200000000, 0.0005305300000000, -0.0002987400000000 ] - [ 0.0009585900000000, -0.0007167500000000, 0.0001869000000000 ] - [ 0.0001976800000000, 0.0015634600000000, 0.0008417300000000 ] - [ -0.0006275500000000, 0.0019515400000000, 0.0010162100000000 ] - [ 0.0010983800000000, -0.0035995600000000, 0.0003964900000000 ] - [ 0.0001512700000000, -0.0058254000000000, 0.0093763800000000 ] - [ -0.0001353600000000, 0.0020681100000000, -0.0009196000000000 ] - [ -0.0001902400000000, 0.0027890000000000, -0.0012374800000000 ] - [ 0.0000602900000000, 0.0065730800000000, 0.0013822700000000 ] - [ 0.0003443600000000, 0.0019575500000000, 0.0006598200000000 ] - [ -0.0001604500000000, 0.0127606800000000, 0.0071332900000000 ] - [ -0.0002878500000000, 0.0002294000000000, 0.0010702300000000 ] - [ 0.0007189200000000, 0.0026240100000000, 0.0005406900000000 ] - [ 0.0006751900000000, 0.0012076900000000, -0.0002694300000000 ] - [ 0.0007365100000000, 0.0104110500000000, -0.0106538100000000 ] - [ 0.0004124200000000, -0.0001287700000000, -0.0015625400000000 ] - [ -0.0018903500000000, -0.0040765800000000, 0.0015606700000000 ] - [ -0.0284346200000000, -0.0482614800000000, -0.0371417800000000 ] - [ -0.0001607100000000, 0.0020884400000000, 0.0011118900000000 ] - [ -0.0002330700000000, 0.0027561300000000, 0.0014073300000000 ]- atom: 17 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ -0.0002706000000000, -0.0002408100000000, 0.0014216400000000 ] - [ 0.0000838300000000, -0.0003445100000000, 0.0017260700000000 ] - [ 0.0017602300000000, 0.0015520800000000, 0.0046955400000000 ] - [ -0.0020659700000000, 0.0012262000000000, 0.0046453800000000 ] - [ -0.0093134100000000, -0.0049916400000000, 0.0071848600000000 ] - [ 0.0100776100000000, -0.0083349900000000, 0.0068027300000000 ] - [ -0.0001550100000000, 0.0004248800000000, -0.0003384000000000 ] - [ 0.0004207700000000, 0.0007914000000000, -0.0004870700000000 ] - [ -0.0013501300000000, 0.0006674700000000, -0.0076173000000000 ] - [ 0.0063409400000000, 0.0079298400000000, -0.0079736400000000 ] - [ -0.0006894100000000, -0.0011009900000000, -0.0005252000000000 ] - [ 0.0002269600000000, -0.0006230600000000, -0.0008340600000000 ] - [ 0.0107166700000000, -0.0056088700000000, 0.0083189200000000 ] - [ -0.0120794700000000, -0.0085335400000000, 0.0075134300000000 ] - [ 0.0002948600000000, 0.0001756600000000, -0.0003153600000000 ] - [ -0.0001188400000000, 0.0003346600000000, -0.0000999600000000 ] - [ -0.0285265400000000, 0.0046618500000000, -0.4133711600000000 ] - [ 0.0010751200000000, -0.0000143500000000, -0.0054999500000000 ] - [ 0.0007062000000000, -0.0002368700000000, -0.0010621600000000 ] - [ 0.0005700700000000, -0.0001706100000000, -0.0009085800000000 ] - [ 0.0005074700000000, -0.0051997800000000, 0.0184104700000000 ] - [ 0.0007858300000000, 0.0001878300000000, 0.0040863200000000 ] - [ 0.0004607700000000, 0.0008753600000000, 0.0003934300000000 ] - [ 0.0005862200000000, 0.0005421800000000, 0.0000249200000000 ] - [ -0.0003444800000000, 0.0007764800000000, 0.0013334100000000 ] - [ -0.0039349600000000, 0.0080771600000000, 0.0033754400000000 ] - [ -0.0008451400000000, -0.0011454400000000, 0.0013345000000000 ] - [ 0.0001039900000000, -0.0029475500000000, 0.0034011800000000 ] - [ 0.0004180500000000, -0.0015393300000000, 0.0001062600000000 ] - [ 0.0010548700000000, -0.0072347400000000, 0.0027320500000000 ] - [ -0.0005586300000000, 0.0017361500000000, -0.0008682900000000 ] - [ 0.0045148100000000, 0.0082136000000000, -0.0069974800000000 ] - [ -0.0016836500000000, 0.0005467500000000, -0.0002253500000000 ] - [ -0.0042089000000000, 0.0287266200000000, 0.0416093800000000 ] - [ 0.0001767700000000, 0.0000610900000000, -0.0003897800000000 ] - [ 0.0002517200000000, -0.0005981200000000, -0.0003363800000000 ] - [ -0.0006055700000000, -0.0006934200000000, -0.0028783200000000 ] - [ 0.0004774300000000, -0.0003183900000000, -0.0006139200000000 ] - [ 0.0057484000000000, -0.0217562300000000, 0.0003938200000000 ] - [ -0.0013149200000000, -0.0008192700000000, -0.0008974300000000 ] - [ -0.0001605600000000, -0.0010398000000000, 0.0056245600000000 ] - [ -0.0000911200000000, -0.0001199200000000, 0.0021718000000000 ] - [ 0.0000812300000000, 0.0010616500000000, 0.0024874000000000 ] - [ -0.0000873600000000, 0.0006843700000000, 0.0013250000000000 ] - [ 0.0021193500000000, -0.0007278100000000, -0.0011870600000000 ] - [ 0.0044422300000000, 0.0204705100000000, 0.0466914400000000 ] - [ 0.0000700400000000, -0.0008662300000000, -0.0005306500000000 ] - [ 0.0000518200000000, -0.0011739400000000, -0.0005812400000000 ] - [ 0.0000119000000000, -0.0008721800000000, -0.0004087000000000 ] - [ -0.0000248400000000, -0.0010099300000000, -0.0006565600000000 ] - [ -0.0012443900000000, -0.0007969700000000, -0.0017053600000000 ] - [ -0.0005153500000000, 0.0047588900000000, -0.0078984500000000 ] - [ -0.0003089300000000, -0.0004300400000000, 0.0032114600000000 ] - [ 0.0008593800000000, -0.0003888700000000, 0.0014933200000000 ] - [ 0.0000101700000000, -0.0007871200000000, 0.0005019700000000 ] - [ 0.0000492300000000, -0.0007433500000000, 0.0004402400000000 ] - [ 0.0037841000000000, 0.0070645100000000, -0.0042553500000000 ] - [ -0.0023632800000000, 0.0021174600000000, -0.0004680800000000 ] - [ 0.0000589400000000, 0.0004460800000000, 0.0003182500000000 ] - [ -0.0000596800000000, 0.0006351700000000, 0.0002358200000000 ] - [ -0.0002680900000000, 0.0008316200000000, 0.0003392100000000 ] - [ 0.0004013800000000, 0.0013123300000000, 0.0017746700000000 ] - [ -0.0000015900000000, 0.0007012900000000, -0.0001692400000000 ] - [ -0.0000488800000000, 0.0006248400000000, -0.0000541700000000 ] - [ -0.0082682300000000, -0.0087400800000000, -0.0079896500000000 ] - [ 0.0036109700000000, -0.0003675700000000, -0.0015186000000000 ] - [ -0.0000746900000000, 0.0008768100000000, -0.0009273400000000 ] - [ 0.0000717500000000, 0.0006234700000000, -0.0008530700000000 ] - [ -0.0001040600000000, 0.0014728300000000, -0.0057412400000000 ] - [ -0.0008163900000000, 0.0001449000000000, -0.0027166200000000 ] - [ 0.0002803500000000, -0.0005838600000000, 0.0004522100000000 ] - [ -0.0000077000000000, -0.0004300700000000, 0.0005075900000000 ] - [ 0.0005511300000000, -0.0009008200000000, -0.0040028600000000 ] - [ -0.0004328700000000, 0.0000970000000000, -0.0010529900000000 ] - [ 0.0003220800000000, 0.0005283200000000, -0.0014805600000000 ] - [ 0.0003134600000000, 0.0001643200000000, -0.0005433400000000 ] - [ -0.0279995300000000, -0.0422208600000000, 0.0492869100000000 ] - [ -0.0005967600000000, 0.0000926300000000, 0.0024221600000000 ] - [ -0.0001250400000000, 0.0002817000000000, 0.0005305000000000 ] - [ -0.0003447800000000, 0.0001016200000000, 0.0001345400000000 ] - [ 0.0083335100000000, -0.0054712000000000, -0.0081214500000000 ] - [ -0.0038847300000000, -0.0009111900000000, -0.0014372100000000 ] - [ 0.0000905300000000, -0.0002503500000000, -0.0008928700000000 ] - [ 0.0000246800000000, -0.0004413900000000, -0.0008425300000000 ] - [ 0.0003210100000000, 0.0012813400000000, -0.0035932600000000 ] - [ 0.0009832500000000, 0.0007656500000000, -0.0014817200000000 ] - [ -0.0008014400000000, -0.0022742900000000, -0.0010421600000000 ] - [ 0.0005962800000000, -0.0006586100000000, -0.0009375800000000 ] - [ 0.0587006500000000, -0.0522900200000000, 0.0623304200000000 ] - [ 0.0007653600000000, 0.0015386400000000, 0.0059748100000000 ] - [ 0.0000085400000000, 0.0004914800000000, 0.0012360300000000 ] - [ 0.0001836200000000, 0.0002265000000000, 0.0011466300000000 ] - [ -0.0000927200000000, -0.0011269400000000, 0.0006003400000000 ] - [ -0.0007607900000000, -0.0128150300000000, -0.0078933400000000 ] - [ 0.0002843400000000, 0.0006404100000000, 0.0000651300000000 ] - [ -0.0001118800000000, 0.0012139500000000, 0.0000240200000000 ] - [ -0.0004629400000000, -0.0001076500000000, 0.0012127600000000 ] - [ 0.0001897700000000, -0.0006218700000000, 0.0020422800000000 ] - [ 0.0021349700000000, 0.0003095700000000, 0.0015590600000000 ] - [ -0.0052850000000000, 0.0027108300000000, 0.0063320500000000 ] - [ -0.0018683500000000, 0.0014785900000000, -0.0004241200000000 ] - [ 0.0024434600000000, 0.0071078600000000, 0.0030335000000000 ] - [ 0.0001079300000000, -0.0005322300000000, -0.0001851700000000 ] - [ -0.0003573400000000, -0.0017106100000000, 0.0010699500000000 ] - [ 0.0000723800000000, 0.0006238900000000, 0.0000819000000000 ] - [ 0.0000990800000000, 0.0019782200000000, -0.0005967000000000 ] - [ 0.0000531100000000, -0.0016591500000000, 0.0008222600000000 ] - [ 0.0011881300000000, -0.0157371700000000, -0.0030348200000000 ] - [ -0.0012206500000000, 0.0002716600000000, -0.0015144600000000 ] - [ 0.0001371400000000, 0.0011242500000000, -0.0144822300000000 ] - [ -0.0004300400000000, 0.0000398000000000, 0.0003590400000000 ] - [ -0.0003919600000000, 0.0001488200000000, 0.0000575000000000 ] - [ -0.0001953900000000, -0.0000886700000000, -0.0011464800000000 ] - [ -0.0007709800000000, -0.0023585100000000, -0.0019750900000000 ] - [ 0.0003532400000000, 0.0014963700000000, -0.0027044300000000 ] - [ -0.0002111600000000, 0.0021077600000000, -0.0039052700000000 ] - [ 0.0002341100000000, 0.0010087700000000, -0.0064042100000000 ] - [ 0.0006706300000000, -0.0001757000000000, -0.0027062700000000 ] - [ -0.0002528300000000, -0.0006774400000000, -0.0007903200000000 ] - [ -0.0001788700000000, -0.0004410500000000, -0.0005262400000000 ] - [ -0.0012159500000000, -0.0004056000000000, 0.0015118300000000 ] - [ -0.0789892100000000, 0.0421726000000000, 0.1219711100000000 ] - [ -0.0000653600000000, 0.0000673100000000, -0.0001158700000000 ] - [ -0.0000582200000000, 0.0001284700000000, 0.0000484200000000 ] - [ -0.0002554400000000, 0.0010073800000000, -0.0002362400000000 ] - [ -0.0002415100000000, 0.0011137400000000, -0.0022690700000000 ] - [ -0.0001646800000000, 0.0003898600000000, 0.0005077500000000 ] - [ 0.0000258000000000, 0.0001651400000000, 0.0000281200000000 ] - [ 0.0007794900000000, 0.0002723800000000, -0.0022126200000000 ] - [ -0.0001938100000000, 0.0031162700000000, -0.0158615900000000 ] - [ 0.0000497100000000, 0.0000569300000000, -0.0005118800000000 ] - [ 0.0000783000000000, -0.0000275500000000, -0.0006441200000000 ] - [ -0.0001947900000000, 0.0026920700000000, 0.0021980500000000 ] - [ -0.0008489600000000, 0.0002629100000000, 0.0016947200000000 ] - [ -0.0017685600000000, 0.0069255200000000, 0.0087902300000000 ] - [ 0.0004979600000000, 0.0000775000000000, 0.0018686900000000 ] - [ 0.0017069000000000, -0.0020797800000000, 0.0012950400000000 ] - [ -0.0001628400000000, -0.0007423600000000, -0.0003490100000000 ] - [ -0.0000403100000000, 0.0029180000000000, -0.0026170700000000 ] - [ -0.0000436000000000, 0.0006276400000000, -0.0004927100000000 ] - [ 0.0000676300000000, -0.0002819200000000, 0.0033350300000000 ] - [ 0.0685630800000000, 0.0370835900000000, 0.1163237900000000 ] - [ -0.0003159800000000, 0.0001393100000000, 0.0008927700000000 ] - [ -0.0003476200000000, 0.0001576400000000, 0.0010570000000000 ]- atom: 17 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ 0.0000701100000000, -0.0000107100000000, -0.0011129300000000 ] - [ -0.0002950400000000, 0.0000967200000000, -0.0014157100000000 ] - [ -0.0019392500000000, -0.0017663500000000, -0.0043604100000000 ] - [ 0.0018512700000000, -0.0014654100000000, -0.0043388200000000 ] - [ 0.0095888200000000, 0.0052947200000000, -0.0074760300000000 ] - [ -0.0099081200000000, 0.0085795200000000, -0.0070932600000000 ] - [ 0.0003634600000000, -0.0001819900000000, 0.0000281200000000 ] - [ -0.0002147600000000, -0.0005490100000000, 0.0001762100000000 ] - [ 0.0011387100000000, -0.0004167400000000, 0.0079892400000000 ] - [ -0.0065327900000000, -0.0076512700000000, 0.0082891800000000 ] - [ 0.0004798300000000, 0.0013373100000000, 0.0008386300000000 ] - [ -0.0004306800000000, 0.0008592300000000, 0.0011478200000000 ] - [ -0.0104088200000000, 0.0053093100000000, -0.0086498900000000 ] - [ 0.0122374100000000, 0.0083053500000000, -0.0078411600000000 ] - [ -0.0000866600000000, -0.0004192600000000, -0.0000006900000000 ] - [ 0.0003254000000000, -0.0005793200000000, -0.0002154800000000 ] - [ 0.0395907100000000, -0.0060373300000000, 0.4130463800000000 ] - [ -0.0000125400000000, -0.0004315900000000, 0.0045572200000000 ] - [ 0.0003504500000000, -0.0002133700000000, 0.0001165300000000 ] - [ 0.0004864300000000, -0.0002781700000000, -0.0000348200000000 ] - [ 0.0005383700000000, 0.0056660100000000, -0.0193557400000000 ] - [ 0.0002765900000000, 0.0002607100000000, -0.0050306000000000 ] - [ 0.0005930900000000, -0.0004289200000000, -0.0013362100000000 ] - [ 0.0004688800000000, -0.0000939400000000, -0.0009688300000000 ] - [ -0.0007084400000000, -0.0012272800000000, -0.0003840300000000 ] - [ 0.0028674900000000, -0.0085601300000000, -0.0024199400000000 ] - [ -0.0002025700000000, 0.0007018500000000, -0.0003781100000000 ] - [ -0.0011549000000000, 0.0025086400000000, -0.0024333500000000 ] - [ -0.0014755900000000, 0.0019940000000000, 0.0008299100000000 ] - [ -0.0020917900000000, 0.0076827700000000, -0.0018207300000000 ] - [ -0.0004915900000000, -0.0012862800000000, 0.0018006400000000 ] - [ -0.0055745200000000, -0.0077491800000000, 0.0079144900000000 ] - [ 0.0018962600000000, 0.0004931000000000, -0.0007607700000000 ] - [ 0.0040407700000000, -0.0274302900000000, -0.0424056300000000 ] - [ 0.0000174300000000, 0.0009853900000000, -0.0005811500000000 ] - [ -0.0000553600000000, 0.0016418500000000, -0.0006354800000000 ] - [ 0.0004114700000000, -0.0003496300000000, 0.0038616600000000 ] - [ -0.0006748300000000, -0.0007268600000000, 0.0015859900000000 ] - [ -0.0059013900000000, 0.0206466600000000, 0.0006206400000000 ] - [ 0.0011185700000000, -0.0002359700000000, 0.0018688600000000 ] - [ -0.0000461000000000, 0.0020535500000000, -0.0046719500000000 ] - [ -0.0000973200000000, 0.0011613400000000, -0.0012088000000000 ] - [ -0.0002778700000000, -0.0000138400000000, -0.0015173700000000 ] - [ -0.0001057300000000, 0.0003616500000000, -0.0003580600000000 ] - [ -0.0019086200000000, -0.0003169800000000, 0.0002343600000000 ] - [ -0.0046021600000000, -0.0217696700000000, -0.0479253700000000 ] - [ 0.0001247000000000, -0.0001808700000000, -0.0004365800000000 ] - [ 0.0001425800000000, 0.0001247400000000, -0.0003844700000000 ] - [ -0.0000388800000000, -0.0005654400000000, -0.0002589000000000 ] - [ -0.0000017800000000, -0.0004283500000000, -0.0000116000000000 ] - [ 0.0012069500000000, -0.0006476700000000, 0.0010317700000000 ] - [ 0.0004977300000000, -0.0062485100000000, 0.0072430300000000 ] - [ 0.0003697100000000, -0.0010173200000000, -0.0025990600000000 ] - [ -0.0008335400000000, -0.0010492500000000, -0.0008226900000000 ] - [ 0.0000168600000000, -0.0006511300000000, 0.0001665800000000 ] - [ -0.0000226400000000, -0.0006948900000000, 0.0002278200000000 ] - [ -0.0037219700000000, -0.0055710300000000, 0.0048499600000000 ] - [ 0.0024027500000000, -0.0006865500000000, 0.0011300200000000 ] - [ -0.0000320900000000, 0.0009939000000000, 0.0003469400000000 ] - [ 0.0000858100000000, 0.0008035400000000, 0.0004306700000000 ] - [ 0.0002469900000000, 0.0006056800000000, -0.0010058800000000 ] - [ -0.0004325400000000, 0.0001225600000000, -0.0024406100000000 ] - [ -0.0000248900000000, 0.0007376800000000, -0.0004971600000000 ] - [ 0.0000223900000000, 0.0008140300000000, -0.0006118700000000 ] - [ 0.0083956300000000, 0.0096341600000000, 0.0062608900000000 ] - [ -0.0035017500000000, 0.0013956100000000, -0.0001197700000000 ] - [ 0.0002022400000000, 0.0001495200000000, -0.0007241100000000 ] - [ 0.0000557200000000, 0.0004027100000000, -0.0007998400000000 ] - [ 0.0004129600000000, -0.0019637100000000, 0.0073964000000000 ] - [ 0.0011275800000000, -0.0006224700000000, 0.0043723600000000 ] - [ 0.0000316400000000, 0.0001142600000000, 0.0012062800000000 ] - [ 0.0003195700000000, -0.0000419000000000, 0.0011508300000000 ] - [ -0.0005797900000000, 0.0008153500000000, 0.0046238900000000 ] - [ 0.0003936500000000, -0.0002072200000000, 0.0016672800000000 ] - [ -0.0003573500000000, -0.0006444300000000, 0.0020895000000000 ] - [ -0.0003537800000000, -0.0002772700000000, 0.0011580300000000 ] - [ 0.0280203200000000, 0.0434440000000000, -0.0495371100000000 ] - [ 0.0002038500000000, 0.0002800400000000, -0.0028554300000000 ] - [ -0.0002575100000000, 0.0000894800000000, -0.0009631400000000 ] - [ -0.0000364700000000, 0.0002690400000000, -0.0005650300000000 ] - [ -0.0082424900000000, 0.0045164400000000, 0.0065785700000000 ] - [ 0.0039967800000000, -0.0001172200000000, -0.0002287500000000 ] - [ 0.0000389300000000, -0.0007726300000000, -0.0007625100000000 ] - [ 0.0001007700000000, -0.0005824100000000, -0.0008144100000000 ] - [ 0.0004684900000000, -0.0013127500000000, 0.0022835500000000 ] - [ -0.0001941300000000, -0.0008089300000000, 0.0001572900000000 ] - [ 0.0015970100000000, 0.0022261200000000, -0.0002818200000000 ] - [ 0.0001890600000000, 0.0006154800000000, -0.0003899200000000 ] - [ -0.0582248000000000, 0.0525541000000000, -0.0615105900000000 ] - [ -0.0004581100000000, -0.0010716400000000, -0.0043074000000000 ] - [ 0.0003051700000000, -0.0000147000000000, 0.0004245300000000 ] - [ 0.0001277000000000, 0.0002513300000000, 0.0005146200000000 ] - [ 0.0004690200000000, 0.0014989400000000, -0.0001813000000000 ] - [ 0.0011916900000000, 0.0131774300000000, 0.0082997900000000 ] - [ 0.0000983000000000, -0.0002712000000000, 0.0003605800000000 ] - [ 0.0004920900000000, -0.0008411000000000, 0.0003998500000000 ] - [ 0.0003372400000000, -0.0009200800000000, 0.0004406100000000 ] - [ -0.0003174700000000, -0.0004040900000000, -0.0003899300000000 ] - [ -0.0022469600000000, -0.0013280100000000, 0.0000913200000000 ] - [ 0.0051487000000000, -0.0037106000000000, -0.0047114400000000 ] - [ 0.0015630500000000, -0.0019579400000000, -0.0012215700000000 ] - [ -0.0027556300000000, -0.0075477400000000, -0.0046534000000000 ] - [ -0.0004209300000000, 0.0000595600000000, -0.0014704300000000 ] - [ 0.0000424100000000, 0.0012402100000000, -0.0027232300000000 ] - [ 0.0003098700000000, -0.0009957400000000, 0.0003508500000000 ] - [ 0.0002826600000000, -0.0023443100000000, 0.0010297000000000 ] - [ 0.0003166800000000, 0.0012870700000000, -0.0003837300000000 ] - [ -0.0007588800000000, 0.0153743100000000, 0.0034872000000000 ] - [ 0.0004205600000000, -0.0003164500000000, 0.0028524600000000 ] - [ -0.0008812800000000, -0.0011871700000000, 0.0158223000000000 ] - [ -0.0003558200000000, -0.0000817600000000, 0.0009736300000000 ] - [ -0.0003942100000000, -0.0001894600000000, 0.0012744200000000 ] - [ -0.0001183800000000, 0.0005658200000000, -0.0005153400000000 ] - [ 0.0004607600000000, 0.0028375200000000, 0.0003114500000000 ] - [ -0.0006754300000000, -0.0010299700000000, 0.0010348600000000 ] - [ -0.0000988300000000, -0.0016446800000000, 0.0022355100000000 ] - [ -0.0006117800000000, -0.0013644700000000, 0.0059768000000000 ] - [ -0.0010556300000000, -0.0001940400000000, 0.0022789600000000 ] - [ -0.0001306400000000, 0.0003076900000000, 0.0003615700000000 ] - [ -0.0002046000000000, 0.0000724500000000, 0.0000974500000000 ] - [ 0.0012530100000000, 0.0002988100000000, -0.0021086900000000 ] - [ 0.0738599700000000, -0.0395208400000000, -0.1175571900000000 ] - [ 0.0001041700000000, -0.0001770300000000, -0.0004985100000000 ] - [ 0.0000965200000000, -0.0002366500000000, -0.0006618800000000 ] - [ 0.0001254200000000, 0.0000203500000000, 0.0018938500000000 ] - [ 0.0001231800000000, -0.0000803100000000, 0.0039264800000000 ] - [ 0.0000350800000000, 0.0006330500000000, 0.0011478000000000 ] - [ -0.0001528100000000, 0.0008594500000000, 0.0016266200000000 ] - [ -0.0007523200000000, -0.0001608300000000, 0.0015912400000000 ] - [ 0.0002740800000000, -0.0030005800000000, 0.0152561900000000 ] - [ -0.0000113500000000, 0.0000564600000000, -0.0001052500000000 ] - [ -0.0000400200000000, 0.0001421900000000, 0.0000263100000000 ] - [ 0.0001500500000000, -0.0025995000000000, -0.0015802700000000 ] - [ 0.0008083500000000, -0.0001555500000000, -0.0010779100000000 ] - [ 0.0017311600000000, -0.0067925800000000, -0.0081350200000000 ] - [ -0.0005402900000000, 0.0000378600000000, -0.0012477000000000 ] - [ -0.0009221000000000, 0.0021299800000000, -0.0026392200000000 ] - [ 0.0009452700000000, 0.0007854700000000, -0.0009868400000000 ] - [ 0.0008237500000000, -0.0028502700000000, 0.0012379800000000 ] - [ 0.0008271200000000, -0.0005811000000000, -0.0008481600000000 ] - [ -0.0008533900000000, 0.0003197700000000, -0.0020250600000000 ] - [ -0.0743848900000000, -0.0395452300000000, -0.1199319200000000 ] - [ -0.0004692900000000, -0.0000947500000000, 0.0004377800000000 ] - [ -0.0004404100000000, -0.0001120200000000, 0.0002736900000000 ]- atom: 33 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ 0.0001252800000000, 0.0000901600000000, 0.0000832500000000 ] - [ -0.0002450700000000, -0.0003856200000000, 0.0002685500000000 ] - [ 0.0080881600000000, -0.0066050800000000, -0.0088973800000000 ] - [ 0.0071621400000000, 0.0084910400000000, 0.0122390600000000 ] - [ 0.0011341300000000, -0.0000111700000000, -0.0002205000000000 ] - [ 0.0006490100000000, -0.0002789500000000, -0.0001248100000000 ] - [ 0.0002418400000000, 0.0001186000000000, -0.0001505600000000 ] - [ -0.0000044900000000, 0.0001432100000000, -0.0001644200000000 ] - [ 0.0005028100000000, 0.0007841200000000, 0.0005198400000000 ] - [ -0.0000348800000000, -0.0006376300000000, -0.0006244800000000 ] - [ 0.0007205100000000, -0.0003903400000000, 0.0010741900000000 ] - [ 0.0000887900000000, 0.0011752100000000, -0.0004088500000000 ] - [ 0.0071044300000000, 0.0107511500000000, 0.0002127900000000 ] - [ 0.0069279400000000, -0.0131900100000000, -0.0004057900000000 ] - [ 0.0008239400000000, -0.0009852700000000, -0.0005349800000000 ] - [ -0.0002066600000000, 0.0003364200000000, -0.0000419800000000 ] - [ 0.0048553000000000, -0.0011371800000000, -0.0022493100000000 ] - [ -0.0187153600000000, -0.0064129900000000, -0.0046919100000000 ] - [ 0.0010344100000000, -0.0002656100000000, -0.0003903300000000 ] - [ -0.0002552100000000, -0.0004165000000000, -0.0003225300000000 ] - [ 0.0051094600000000, -0.0004967300000000, 0.0015723800000000 ] - [ -0.0187459800000000, -0.0024990400000000, 0.0038655700000000 ] - [ 0.0008479900000000, 0.0002772400000000, -0.0004980200000000 ] - [ 0.0000979300000000, 0.0002041600000000, -0.0005202200000000 ] - [ -0.0012746100000000, 0.0002487300000000, 0.0006477800000000 ] - [ -0.0001236100000000, -0.0004517100000000, 0.0004836600000000 ] - [ -0.0038008100000000, -0.0009540900000000, 0.0003908000000000 ] - [ 0.0018023100000000, 0.0011171600000000, 0.0004854600000000 ] - [ -0.0025863300000000, 0.0007125400000000, -0.0000419600000000 ] - [ 0.0010598900000000, -0.0005628900000000, 0.0010589300000000 ] - [ -0.0186751000000000, -0.0013529300000000, 0.0062273200000000 ] - [ 0.0034183400000000, 0.0031192200000000, -0.0007239400000000 ] - [ -0.3122523400000000, -0.0017982900000000, 0.0161567100000000 ] - [ 0.0102849700000000, 0.0001867700000000, -0.0005944400000000 ] - [ -0.0001667700000000, 0.0005249200000000, -0.0005567400000000 ] - [ 0.0003271100000000, 0.0003908300000000, -0.0004831700000000 ] - [ 0.0001115300000000, -0.0005873400000000, 0.0004196200000000 ] - [ -0.0003482700000000, -0.0005661700000000, 0.0004035200000000 ] - [ 0.0019949500000000, -0.0007401500000000, 0.0008690500000000 ] - [ -0.0057981900000000, 0.0006289300000000, -0.0022612000000000 ] - [ 0.0010742500000000, 0.0007983400000000, 0.0003684000000000 ] - [ -0.0018340200000000, -0.0002756600000000, 0.0004359300000000 ] - [ 0.0010747200000000, 0.0003732700000000, 0.0005392400000000 ] - [ -0.0018355100000000, 0.0007323200000000, 0.0000546000000000 ] - [ -0.0024626200000000, 0.0010482700000000, -0.0005394900000000 ] - [ 0.0009934300000000, -0.0009810100000000, -0.0005425000000000 ] - [ -0.0003394500000000, -0.0005567600000000, -0.0004407100000000 ] - [ 0.0004637800000000, -0.0002021000000000, -0.0004710300000000 ] - [ 0.0000154900000000, -0.0006964500000000, -0.0003113300000000 ] - [ -0.0000342000000000, -0.0007768500000000, -0.0003416200000000 ] - [ 0.0007558500000000, -0.0023371800000000, 0.0044483000000000 ] - [ 0.0010656700000000, -0.0003557900000000, -0.0014326300000000 ] - [ 0.0001309400000000, -0.0006098000000000, 0.0003177800000000 ] - [ 0.0000595900000000, -0.0008721600000000, 0.0004864600000000 ] - [ 0.0000559600000000, -0.0007485600000000, 0.0003201200000000 ] - [ -0.0000077600000000, -0.0005945000000000, 0.0003509600000000 ] - [ 0.0033475800000000, -0.0000758300000000, 0.0019651800000000 ] - [ 0.0142161100000000, 0.0059230700000000, -0.0094014600000000 ] - [ 0.0000480900000000, 0.0006985300000000, 0.0003572100000000 ] - [ -0.0000146100000000, 0.0006955000000000, 0.0003289800000000 ] - [ 0.0001028300000000, 0.0011534700000000, -0.0004970200000000 ] - [ -0.0000448400000000, 0.0005979000000000, -0.0001698500000000 ] - [ 0.0001905800000000, 0.0007450100000000, -0.0005035400000000 ] - [ -0.0000707200000000, 0.0008824100000000, -0.0002472200000000 ] - [ -0.0085219400000000, 0.0004837400000000, -0.0009986300000000 ] - [ 0.1147653800000000, 0.0053573000000000, -0.0068765600000000 ] - [ -0.0001290400000000, 0.0005859200000000, -0.0008461600000000 ] - [ 0.0002622800000000, 0.0005268700000000, -0.0008122300000000 ] - [ -0.0023312100000000, -0.0011793200000000, 0.0012852400000000 ] - [ 0.0061290700000000, 0.0021565400000000, -0.0032167900000000 ] - [ 0.0000127600000000, -0.0002818000000000, 0.0008419700000000 ] - [ 0.0003131400000000, -0.0001842000000000, 0.0008389300000000 ] - [ -0.0004064100000000, -0.0000587900000000, 0.0003119600000000 ] - [ 0.0004135000000000, 0.0003039700000000, 0.0000697700000000 ] - [ -0.0013591300000000, 0.0002792000000000, 0.0008806700000000 ] - [ 0.0016529800000000, -0.0009592200000000, -0.0001738700000000 ] - [ -0.0020312100000000, 0.0001882700000000, -0.0001807400000000 ] - [ 0.0062831100000000, 0.0019337500000000, 0.0033232200000000 ] - [ -0.0003323000000000, 0.0002745400000000, -0.0002276400000000 ] - [ -0.0000430000000000, 0.0001723900000000, -0.0002058700000000 ] - [ -0.0006543500000000, -0.0005635300000000, -0.0008558500000000 ] - [ 0.0011914400000000, -0.0003349100000000, -0.0007647400000000 ] - [ -0.0002085300000000, -0.0004974900000000, -0.0008894000000000 ] - [ 0.0003516900000000, -0.0006653100000000, -0.0008123500000000 ] - [ -0.0004763000000000, -0.0003606000000000, -0.0007491000000000 ] - [ 0.0014018200000000, 0.0005866700000000, -0.0006598700000000 ] - [ -0.0013591400000000, -0.0002287600000000, -0.0010716400000000 ] - [ 0.0073502400000000, 0.0007930200000000, 0.0005347000000000 ] - [ -0.0020538600000000, 0.0004461600000000, -0.0000646400000000 ] - [ 0.0062011700000000, 0.0023084100000000, 0.0041658900000000 ] - [ -0.0004152600000000, 0.0004583700000000, 0.0007386100000000 ] - [ 0.0006994400000000, -0.0001626500000000, 0.0007671500000000 ] - [ 0.0005417400000000, -0.0008880100000000, 0.0000765700000000 ] - [ -0.0000610200000000, 0.0004292200000000, 0.0003013300000000 ] - [ 0.0008186700000000, 0.0005162100000000, 0.0001913600000000 ] - [ -0.0002396500000000, -0.0003554000000000, 0.0002106300000000 ] - [ 0.0000560800000000, -0.0006140700000000, 0.0007905900000000 ] - [ -0.0001741300000000, -0.0003628300000000, 0.0008955700000000 ] - [ 0.0025517200000000, 0.0004111000000000, -0.0014212200000000 ] - [ -0.0014584200000000, -0.0007049200000000, 0.0009836900000000 ] - [ 0.0008783100000000, -0.0022413600000000, -0.0012822500000000 ] - [ -0.0016483700000000, 0.0014601400000000, 0.0001244400000000 ] - [ -0.0002592200000000, 0.0043958200000000, -0.0034089400000000 ] - [ -0.0007073500000000, -0.0012107100000000, -0.0006223000000000 ] - [ 0.0004824000000000, -0.0004444300000000, 0.0003669500000000 ] - [ -0.0000243700000000, 0.0001469200000000, 0.0000834500000000 ] - [ 0.0623920100000000, -0.0302788500000000, -0.0022582300000000 ] - [ -0.0060735100000000, -0.0019168900000000, 0.0011343300000000 ] - [ 0.0620364800000000, 0.0132187500000000, -0.0254916800000000 ] - [ -0.0058406500000000, 0.0008154700000000, -0.0012650500000000 ] - [ -0.0002582000000000, 0.0000100500000000, 0.0007465600000000 ] - [ -0.0004844100000000, -0.0000175100000000, 0.0006362800000000 ] - [ -0.0001089000000000, 0.0000505500000000, -0.0008317700000000 ] - [ -0.0002009200000000, 0.0003262900000000, -0.0008629000000000 ] - [ 0.0013291400000000, 0.0012421400000000, 0.0009334400000000 ] - [ -0.0022617300000000, -0.0001826800000000, -0.0029313400000000 ] - [ -0.0019417500000000, -0.0000734900000000, 0.0001959700000000 ] - [ 0.0056935300000000, -0.0005575100000000, -0.0019668700000000 ] - [ -0.0006188300000000, -0.0002453800000000, -0.0001548400000000 ] - [ 0.0001424700000000, -0.0003037200000000, -0.0002211400000000 ] - [ 0.0582660900000000, 0.0170936600000000, 0.0167766700000000 ] - [ -0.0053537400000000, 0.0006102500000000, 0.0013166400000000 ] - [ 0.0002374400000000, 0.0001621800000000, -0.0003171800000000 ] - [ -0.0001185800000000, -0.0000612500000000, -0.0002903300000000 ] - [ 0.0009546800000000, -0.0004172100000000, 0.0012140200000000 ] - [ -0.0009398800000000, 0.0010668200000000, 0.0002948200000000 ] - [ 0.0005900300000000, 0.0013388300000000, 0.0014448200000000 ] - [ -0.0008501700000000, -0.0002184000000000, 0.0008061500000000 ] - [ 0.0018501700000000, -0.0020315900000000, 0.0036521700000000 ] - [ -0.0009210400000000, 0.0004545500000000, -0.0006653500000000 ] - [ 0.0001781100000000, 0.0001799000000000, -0.0002562400000000 ] - [ -0.0001119800000000, -0.0000945900000000, -0.0002921500000000 ] - [ -0.0005182400000000, 0.0001632800000000, 0.0004110800000000 ] - [ 0.0004999300000000, 0.0002085500000000, 0.0002834700000000 ] - [ -0.0019801600000000, 0.0000956900000000, 0.0005108000000000 ] - [ 0.0074400700000000, -0.0040983600000000, 0.0013748700000000 ] - [ 0.0002076700000000, 0.0000200700000000, -0.0006920900000000 ] - [ 0.0006543600000000, -0.0000010400000000, -0.0005831000000000 ] - [ -0.0006909600000000, -0.0000586700000000, -0.0008577900000000 ] - [ 0.0016457900000000, -0.0004368300000000, 0.0001451700000000 ] - [ 0.0014714900000000, -0.0015791100000000, -0.0028867700000000 ] - [ -0.0012537900000000, 0.0004126800000000, 0.0010431300000000 ] - [ -0.0001881600000000, 0.0001713000000000, 0.0005164300000000 ] - [ -0.0005672700000000, -0.0001243000000000, 0.0006003800000000 ]- atom: 33 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ -0.0003289000000000, -0.0003333800000000, 0.0002303700000000 ] - [ 0.0000354100000000, 0.0001415900000000, 0.0000448200000000 ] - [ -0.0082821600000000, 0.0064392500000000, 0.0092950100000000 ] - [ -0.0073241300000000, -0.0087039200000000, -0.0118868800000000 ] - [ -0.0009078800000000, 0.0002470700000000, -0.0000912200000000 ] - [ -0.0004414600000000, 0.0005197500000000, -0.0001883600000000 ] - [ -0.0000321200000000, 0.0001263200000000, -0.0001627600000000 ] - [ 0.0002104700000000, 0.0001012200000000, -0.0001483000000000 ] - [ -0.0006973500000000, -0.0005344100000000, -0.0002067000000000 ] - [ -0.0001742400000000, 0.0008772100000000, 0.0009335900000000 ] - [ -0.0009171600000000, 0.0006354400000000, -0.0007557200000000 ] - [ -0.0002939300000000, -0.0009247000000000, 0.0007180900000000 ] - [ -0.0068724700000000, -0.0111067600000000, -0.0005306100000000 ] - [ -0.0066809900000000, 0.0128934000000000, 0.0000955300000000 ] - [ -0.0006081100000000, 0.0007346900000000, 0.0002169700000000 ] - [ 0.0004130800000000, -0.0005751200000000, -0.0002721000000000 ] - [ -0.0037977000000000, 0.0006752600000000, 0.0012910500000000 ] - [ 0.0195335200000000, 0.0059979000000000, 0.0038297000000000 ] - [ 0.0000236100000000, -0.0001826000000000, -0.0005533300000000 ] - [ 0.0013024600000000, -0.0000344900000000, -0.0006190900000000 ] - [ -0.0040542000000000, 0.0009337600000000, -0.0025004200000000 ] - [ 0.0195955200000000, 0.0029707500000000, -0.0048870800000000 ] - [ 0.0002089100000000, 0.0001736300000000, -0.0004451600000000 ] - [ 0.0009526000000000, 0.0002467500000000, -0.0004236400000000 ] - [ 0.0002125000000000, -0.0006897900000000, 0.0002983600000000 ] - [ -0.0009302900000000, 0.0000011100000000, 0.0004604700000000 ] - [ 0.0027292700000000, 0.0005033900000000, 0.0005450500000000 ] - [ -0.0028520600000000, -0.0015591400000000, 0.0004603600000000 ] - [ 0.0015199000000000, -0.0002565900000000, 0.0009853900000000 ] - [ -0.0021106900000000, 0.0010061700000000, -0.0001141100000000 ] - [ 0.0174364400000000, 0.0017410600000000, -0.0052497700000000 ] - [ -0.0044718300000000, -0.0026543000000000, 0.0016670900000000 ] - [ 0.3006421800000000, 0.0020534300000000, -0.0172233700000000 ] - [ -0.0101704100000000, 0.0008541800000000, -0.0003718600000000 ] - [ 0.0003603000000000, 0.0005217800000000, -0.0004130800000000 ] - [ -0.0001305400000000, 0.0006547300000000, -0.0004861300000000 ] - [ -0.0003057300000000, -0.0004587900000000, 0.0005491800000000 ] - [ 0.0001506700000000, -0.0004781000000000, 0.0005646300000000 ] - [ -0.0021886400000000, -0.0003020300000000, 0.0000926600000000 ] - [ 0.0055640200000000, -0.0016826100000000, 0.0032280800000000 ] - [ -0.0012690700000000, 0.0002411200000000, 0.0005994200000000 ] - [ 0.0016254600000000, 0.0013178300000000, 0.0005277900000000 ] - [ -0.0012666400000000, 0.0006762800000000, 0.0004311700000000 ] - [ 0.0016224000000000, 0.0003107200000000, 0.0009257800000000 ] - [ 0.0026335300000000, -0.0020716100000000, -0.0004255000000000 ] - [ -0.0007929100000000, -0.0000702100000000, -0.0004274100000000 ] - [ 0.0005306900000000, -0.0004882900000000, -0.0005268800000000 ] - [ -0.0002666900000000, -0.0008403900000000, -0.0004961500000000 ] - [ -0.0000422200000000, -0.0007422000000000, -0.0003546200000000 ] - [ 0.0000072700000000, -0.0006620500000000, -0.0003251300000000 ] - [ -0.0007543200000000, 0.0008908400000000, -0.0051070600000000 ] - [ -0.0010949800000000, -0.0010838200000000, 0.0007682500000000 ] - [ -0.0001016100000000, -0.0008285800000000, 0.0003504700000000 ] - [ -0.0000336900000000, -0.0005668100000000, 0.0001821000000000 ] - [ -0.0000286500000000, -0.0006894000000000, 0.0003472000000000 ] - [ 0.0000338200000000, -0.0008440800000000, 0.0003162200000000 ] - [ -0.0033542500000000, 0.0015293500000000, -0.0013278900000000 ] - [ -0.0135746200000000, -0.0043630700000000, 0.0098579800000000 ] - [ -0.0000212200000000, 0.0007399200000000, 0.0003101200000000 ] - [ 0.0000414100000000, 0.0007435800000000, 0.0003373900000000 ] - [ -0.0001260600000000, 0.0002906000000000, -0.0001702200000000 ] - [ 0.0000168200000000, 0.0008401000000000, -0.0004956900000000 ] - [ -0.0002148400000000, 0.0006950500000000, -0.0001634200000000 ] - [ 0.0000441000000000, 0.0005564500000000, -0.0004196300000000 ] - [ 0.0087351400000000, 0.0005440600000000, -0.0006584800000000 ] - [ -0.1034503700000000, -0.0040298000000000, 0.0052642200000000 ] - [ 0.0002571800000000, 0.0004403000000000, -0.0008091700000000 ] - [ -0.0001282900000000, 0.0004971200000000, -0.0008404500000000 ] - [ 0.0026352400000000, 0.0007043200000000, 0.0003589300000000 ] - [ -0.0057960200000000, -0.0026227100000000, 0.0048408600000000 ] - [ 0.0002924200000000, -0.0001953300000000, 0.0008161100000000 ] - [ -0.0000042900000000, -0.0002926600000000, 0.0008199300000000 ] - [ 0.0003654000000000, -0.0000512900000000, 0.0003058600000000 ] - [ -0.0004461800000000, -0.0004149100000000, 0.0005462400000000 ] - [ 0.0013202300000000, -0.0003961300000000, -0.0002626800000000 ] - [ -0.0016828000000000, 0.0008455000000000, 0.0007913900000000 ] - [ 0.0016496300000000, 0.0001792900000000, -0.0002376900000000 ] - [ -0.0066237300000000, -0.0015534800000000, -0.0037160000000000 ] - [ -0.0000494900000000, 0.0000928100000000, -0.0001999400000000 ] - [ -0.0003366500000000, 0.0001940100000000, -0.0002217200000000 ] - [ 0.0007799000000000, -0.0004603300000000, -0.0007985000000000 ] - [ -0.0010497600000000, -0.0006927600000000, -0.0008911100000000 ] - [ 0.0003379300000000, -0.0005284000000000, -0.0007661400000000 ] - [ -0.0002190800000000, -0.0003611800000000, -0.0008426200000000 ] - [ 0.0012604800000000, 0.0003184600000000, -0.0005860100000000 ] - [ -0.0006108800000000, -0.0006309500000000, -0.0006746000000000 ] - [ 0.0021422600000000, 0.0001776800000000, -0.0002654400000000 ] - [ -0.0065421800000000, -0.0008629300000000, -0.0018766600000000 ] - [ 0.0023535100000000, 0.0000402600000000, 0.0017286800000000 ] - [ -0.0058673900000000, -0.0018097400000000, -0.0024822200000000 ] - [ 0.0007177500000000, 0.0000184500000000, 0.0009179600000000 ] - [ -0.0003868300000000, 0.0006370600000000, 0.0008909300000000 ] - [ -0.0001594100000000, 0.0012384000000000, 0.0003492600000000 ] - [ 0.0004404800000000, -0.0000609800000000, 0.0001273800000000 ] - [ -0.0004354800000000, -0.0001483600000000, 0.0002378200000000 ] - [ 0.0006187000000000, 0.0007180100000000, 0.0002170200000000 ] - [ -0.0001881800000000, -0.0004108300000000, 0.0008617300000000 ] - [ 0.0000427100000000, -0.0006612300000000, 0.0007586900000000 ] - [ -0.0026717700000000, -0.0014231400000000, 0.0030553500000000 ] - [ 0.0013289200000000, -0.0003204300000000, 0.0006704400000000 ] - [ -0.0011875600000000, 0.0017489100000000, -0.0003732100000000 ] - [ 0.0013388200000000, -0.0019311500000000, -0.0017799100000000 ] - [ -0.0000493800000000, -0.0048030200000000, 0.0017066800000000 ] - [ 0.0004006400000000, 0.0007281300000000, -0.0010353700000000 ] - [ -0.0001000400000000, 0.0000745400000000, 0.0000618700000000 ] - [ 0.0004048500000000, -0.0005111400000000, 0.0003438400000000 ] - [ -0.0619945200000000, 0.0309682500000000, 0.0026203600000000 ] - [ 0.0064796000000000, 0.0015472200000000, -0.0007048800000000 ] - [ -0.0627145200000000, -0.0135681500000000, 0.0274900200000000 ] - [ 0.0050684300000000, -0.0008575700000000, 0.0025955800000000 ] - [ -0.0005256100000000, -0.0000547000000000, 0.0005887600000000 ] - [ -0.0002998400000000, -0.0000271200000000, 0.0006976900000000 ] - [ -0.0001971700000000, 0.0004248600000000, -0.0008264500000000 ] - [ -0.0001046900000000, 0.0001518400000000, -0.0007950000000000 ] - [ -0.0016370700000000, -0.0007553200000000, -0.0025860800000000 ] - [ 0.0019505300000000, 0.0006569800000000, 0.0012660900000000 ] - [ 0.0015586900000000, -0.0002860600000000, -0.0006259300000000 ] - [ -0.0060493300000000, 0.0002053100000000, 0.0015308500000000 ] - [ 0.0002352000000000, -0.0001238300000000, -0.0002725500000000 ] - [ -0.0005204200000000, -0.0000677600000000, -0.0002111400000000 ] - [ -0.0580819200000000, -0.0175511200000000, -0.0178550600000000 ] - [ 0.0054077700000000, -0.0007183900000000, -0.0019279700000000 ] - [ -0.0001965500000000, -0.0002722200000000, -0.0003016500000000 ] - [ 0.0001554000000000, -0.0000517900000000, -0.0003281100000000 ] - [ -0.0010806000000000, 0.0014359300000000, 0.0004429000000000 ] - [ 0.0008075200000000, -0.0000400100000000, 0.0013562200000000 ] - [ -0.0007211900000000, -0.0003095800000000, 0.0002143500000000 ] - [ 0.0007191700000000, 0.0012416000000000, 0.0008487400000000 ] - [ -0.0017943600000000, 0.0021114400000000, -0.0042076000000000 ] - [ 0.0009583800000000, -0.0003380100000000, 0.0000436000000000 ] - [ -0.0001389700000000, -0.0000662700000000, -0.0003625500000000 ] - [ 0.0001505800000000, 0.0002067500000000, -0.0003265700000000 ] - [ 0.0004787900000000, -0.0000484200000000, 0.0002088900000000 ] - [ -0.0005347900000000, -0.0000952800000000, 0.0003345900000000 ] - [ 0.0019439700000000, 0.0000098900000000, 0.0001134900000000 ] - [ -0.0074323600000000, 0.0041726700000000, -0.0007254900000000 ] - [ 0.0005744200000000, 0.0000250800000000, -0.0006428300000000 ] - [ 0.0001326700000000, 0.0000438800000000, -0.0007501000000000 ] - [ 0.0014734200000000, 0.0001013200000000, -0.0004757000000000 ] - [ -0.0008536900000000, 0.0004777100000000, -0.0014705700000000 ] - [ -0.0022374100000000, 0.0015933600000000, 0.0041534900000000 ] - [ 0.0004695200000000, -0.0003649200000000, 0.0002951000000000 ] - [ -0.0005961200000000, -0.0001249700000000, 0.0008166800000000 ] - [ -0.0002210100000000, 0.0001684900000000, 0.0007346300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003809200000000, 0.0025140100000000, 0.0000157300000000 ] - [ -0.0004747000000000, 0.0023206800000000, 0.0000193900000000 ] - [ -0.0096260000000000, -0.0078575900000000, 0.0144220700000000 ] - [ 0.0041694300000000, -0.0037842900000000, 0.0036567300000000 ] - [ 0.0014203500000000, -0.0043111800000000, 0.0000910600000000 ] - [ -0.0012020200000000, -0.0027806600000000, -0.0002946400000000 ] - [ 0.0000772800000000, 0.0023669500000000, -0.0002530100000000 ] - [ 0.0002390400000000, 0.0021707500000000, -0.0001453200000000 ] - [ 0.0014608000000000, 0.0025256800000000, 0.0012989000000000 ] - [ -0.0016606400000000, 0.0022948300000000, 0.0010296900000000 ] - [ -0.0024360500000000, 0.0007474600000000, -0.0036256600000000 ] - [ 0.0017948000000000, 0.0009133400000000, -0.0015928200000000 ] - [ 0.0141650000000000, 0.0100630600000000, -0.0016008800000000 ] - [ -0.0055332300000000, -0.0009085900000000, -0.0009178400000000 ] - [ -0.0022494200000000, 0.0044103400000000, 0.0008997100000000 ] - [ 0.0019731600000000, 0.0028987200000000, -0.0003902000000000 ] - [ 0.0025410100000000, -0.0044408800000000, -0.0004322500000000 ] - [ -0.0182947400000000, 0.0067895600000000, 0.0274453100000000 ] - [ 0.0000447500000000, 0.0028635400000000, -0.0009372000000000 ] - [ 0.0010433000000000, 0.0047989800000000, -0.0015905700000000 ] - [ 0.0011858700000000, -0.0031233600000000, -0.0002680500000000 ] - [ -0.0120974000000000, 0.0041346700000000, -0.0216316200000000 ] - [ 0.0003729600000000, 0.0030276500000000, -0.0001310900000000 ] - [ 0.0003378400000000, 0.0046927700000000, 0.0001767000000000 ] - [ -0.0005368600000000, 0.0036014000000000, -0.0000618800000000 ] - [ -0.0003234000000000, 0.0018720700000000, 0.0003129100000000 ] - [ -0.0015433500000000, -0.0032357900000000, 0.0020157300000000 ] - [ -0.0014389200000000, -0.0023976400000000, 0.0011087100000000 ] - [ -0.0015880100000000, 0.0062909400000000, 0.0002952100000000 ] - [ -0.0000429000000000, 0.0030689800000000, 0.0006799100000000 ] - [ 0.0205401500000000, 0.0498490600000000, -0.0207165600000000 ] - [ -0.0026798100000000, -0.0021352200000000, 0.0001737800000000 ] - [ 0.0015214600000000, -0.3078073100000000, 0.0169753200000000 ] - [ -0.0002442800000000, -0.0019702500000000, -0.0006855200000000 ] - [ 0.0001001000000000, 0.0040622800000000, -0.0003096300000000 ] - [ -0.0000335100000000, 0.0028201300000000, -0.0004255100000000 ] - [ -0.0001623200000000, 0.0017002700000000, 0.0006522100000000 ] - [ -0.0001427800000000, 0.0025177200000000, 0.0007609500000000 ] - [ -0.0003196400000000, -0.0045178700000000, -0.0008970800000000 ] - [ 0.0010558000000000, -0.0120950400000000, -0.0068640600000000 ] - [ 0.0000532800000000, 0.0013697700000000, -0.0000963500000000 ] - [ -0.0003113600000000, 0.0051632100000000, -0.0002127500000000 ] - [ -0.0003754100000000, 0.0013647200000000, 0.0020157300000000 ] - [ 0.0007018000000000, 0.0051816100000000, 0.0082633600000000 ] - [ -0.0014697800000000, 0.0019094100000000, 0.0010260700000000 ] - [ 0.0005556300000000, -0.0006457300000000, -0.0001132200000000 ] - [ 0.0001320300000000, 0.0003200400000000, -0.0006802300000000 ] - [ -0.0002205400000000, 0.0000763700000000, -0.0006673800000000 ] - [ -0.0000166500000000, 0.0000602700000000, -0.0004023800000000 ] - [ -0.0000501000000000, -0.0001699700000000, -0.0003990900000000 ] - [ -0.0008352500000000, -0.0097286600000000, -0.0061039400000000 ] - [ 0.0000769000000000, -0.0016673600000000, -0.0004317400000000 ] - [ 0.0002930300000000, -0.0005664100000000, 0.0003002700000000 ] - [ -0.0002116400000000, -0.0003791600000000, -0.0001417200000000 ] - [ -0.0000998600000000, -0.0005626600000000, 0.0004487300000000 ] - [ 0.0001740300000000, -0.0004554200000000, 0.0006568900000000 ] - [ -0.0018125600000000, -0.0025354700000000, -0.0009438600000000 ] - [ 0.0123794200000000, -0.0001965000000000, -0.0003058700000000 ] - [ 0.0000219400000000, 0.0013213800000000, 0.0002708200000000 ] - [ -0.0000166800000000, 0.0014214300000000, 0.0002432600000000 ] - [ 0.0003302400000000, 0.0012213100000000, -0.0006921200000000 ] - [ -0.0003916800000000, 0.0007921800000000, -0.0004937100000000 ] - [ -0.0004301200000000, 0.0007661200000000, 0.0003821400000000 ] - [ 0.0002524200000000, 0.0008974300000000, -0.0000899000000000 ] - [ 0.0009955800000000, 0.0046799100000000, -0.0003366300000000 ] - [ -0.0053619900000000, 0.0486454500000000, -0.0071085900000000 ] - [ 0.0001545800000000, -0.0008218100000000, -0.0009246800000000 ] - [ -0.0000045600000000, -0.0010621400000000, -0.0008961900000000 ] - [ 0.0000875600000000, 0.0033406700000000, 0.0001929300000000 ] - [ 0.0056105700000000, 0.0045331000000000, 0.0031859600000000 ] - [ -0.0002582100000000, -0.0018189400000000, 0.0007749000000000 ] - [ -0.0004378100000000, -0.0024239600000000, 0.0006092900000000 ] - [ -0.0001254000000000, -0.0010505300000000, 0.0008078000000000 ] - [ 0.0003558300000000, -0.0025697200000000, 0.0014854100000000 ] - [ 0.0008954500000000, 0.0002241300000000, -0.0010064900000000 ] - [ -0.0005453400000000, 0.0010120900000000, -0.0029581400000000 ] - [ -0.0010645200000000, 0.0037855700000000, -0.0005003600000000 ] - [ 0.0044899900000000, 0.0100588300000000, -0.0047423100000000 ] - [ -0.0000970300000000, -0.0021173900000000, 0.0001598500000000 ] - [ -0.0001718700000000, -0.0028496800000000, 0.0002687700000000 ] - [ -0.0005568700000000, -0.0003028200000000, -0.0011234800000000 ] - [ 0.0012707500000000, -0.0009360500000000, -0.0010087300000000 ] - [ 0.0004084800000000, -0.0011042400000000, -0.0006155000000000 ] - [ -0.0000643100000000, -0.0011507100000000, -0.0008402800000000 ] - [ -0.0004214000000000, -0.0013874900000000, -0.0005976300000000 ] - [ 0.0009278800000000, -0.0022481700000000, -0.0009742900000000 ] - [ 0.0024561100000000, -0.0003666900000000, -0.0012369500000000 ] - [ -0.0076259400000000, -0.0098579800000000, -0.0061821300000000 ] - [ -0.0031354400000000, 0.0007373600000000, -0.0007622500000000 ] - [ 0.0065958300000000, -0.0035978200000000, -0.0022991200000000 ] - [ 0.0015756700000000, -0.0014867700000000, 0.0014660200000000 ] - [ -0.0003455800000000, -0.0021156900000000, 0.0016331300000000 ] - [ 0.0002285100000000, -0.0027664200000000, -0.0003080100000000 ] - [ 0.0004832600000000, -0.0005072700000000, -0.0000483100000000 ] - [ 0.0001528000000000, 0.0004745300000000, 0.0000929200000000 ] - [ 0.0000326700000000, 0.0004310100000000, 0.0002909100000000 ] - [ -0.0001260900000000, -0.0020529600000000, 0.0006673200000000 ] - [ 0.0000057000000000, -0.0016457900000000, 0.0007508800000000 ] - [ 0.0000397600000000, 0.0064897200000000, 0.0047846300000000 ] - [ 0.0000375500000000, 0.0012995800000000, 0.0014178100000000 ] - [ 0.0001792900000000, -0.0046465800000000, -0.0017858800000000 ] - [ 0.0004667900000000, -0.0013006400000000, -0.0005680500000000 ] - [ 0.0025946700000000, -0.0131104000000000, 0.0050684600000000 ] - [ -0.0007201700000000, -0.0001187500000000, -0.0005844200000000 ] - [ 0.0003003100000000, -0.0039632200000000, 0.0007379800000000 ] - [ 0.0002397500000000, -0.0024528200000000, 0.0004642100000000 ] - [ -0.0291968200000000, 0.1078090000000000, -0.0049885700000000 ] - [ 0.0005473500000000, 0.0028085900000000, -0.0001631000000000 ] - [ 0.0106972300000000, 0.0560364200000000, -0.0231311000000000 ] - [ -0.0005523600000000, 0.0017442100000000, -0.0003160400000000 ] - [ -0.0003498700000000, -0.0021053700000000, 0.0010667400000000 ] - [ -0.0004135900000000, -0.0013684900000000, 0.0008853400000000 ] - [ -0.0008119200000000, -0.0018838300000000, -0.0007730000000000 ] - [ -0.0004344800000000, -0.0010993800000000, -0.0007667400000000 ] - [ -0.0000549000000000, 0.0043090200000000, -0.0016046400000000 ] - [ 0.0004561200000000, 0.0020850300000000, -0.0012285000000000 ] - [ -0.0017653000000000, 0.0005450200000000, 0.0008642600000000 ] - [ 0.0022768700000000, -0.0040755100000000, 0.0023347000000000 ] - [ 0.0003639100000000, -0.0017652100000000, -0.0009899600000000 ] - [ -0.0005736100000000, -0.0042471900000000, -0.0021949200000000 ] - [ 0.0147730600000000, 0.0615188300000000, 0.0218422300000000 ] - [ -0.0000089300000000, 0.0021907300000000, 0.0008674200000000 ] - [ -0.0002809200000000, -0.0028120300000000, -0.0008023800000000 ] - [ -0.0001247000000000, -0.0016793800000000, -0.0005819500000000 ] - [ -0.0002066700000000, -0.0016016200000000, 0.0017097100000000 ] - [ 0.0002121300000000, 0.0000441700000000, 0.0010343700000000 ] - [ 0.0007966700000000, -0.0018812600000000, -0.0021482400000000 ] - [ -0.0003335800000000, 0.0004244600000000, 0.0002422900000000 ] - [ 0.0002179300000000, -0.0014933000000000, 0.0032549300000000 ] - [ 0.0001780000000000, 0.0009824600000000, -0.0005915200000000 ] - [ 0.0001865600000000, -0.0015370100000000, -0.0005538900000000 ] - [ 0.0001416600000000, -0.0009289200000000, -0.0002373900000000 ] - [ -0.0003530900000000, -0.0015293100000000, -0.0001144200000000 ] - [ 0.0002604000000000, -0.0023157800000000, -0.0005268400000000 ] - [ 0.0019636100000000, 0.0017632200000000, 0.0019492800000000 ] - [ -0.0083646400000000, 0.0004955500000000, 0.0129316100000000 ] - [ 0.0002643600000000, -0.0011396800000000, -0.0004632400000000 ] - [ 0.0005578400000000, -0.0016310300000000, -0.0002066100000000 ] - [ 0.0006679700000000, 0.0014554900000000, -0.0005005400000000 ] - [ -0.0000177700000000, 0.0024911200000000, 0.0008075500000000 ] - [ 0.0004471400000000, -0.0029322000000000, -0.0069298200000000 ] - [ -0.0003399900000000, 0.0008628900000000, 0.0004250400000000 ] - [ -0.0004671600000000, -0.0014302400000000, 0.0012345400000000 ] - [ -0.0004045100000000, -0.0008960700000000, 0.0008210100000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005903800000000, -0.0027544200000000, 0.0002995400000000 ] - [ 0.0002698400000000, -0.0025613200000000, 0.0002949600000000 ] - [ 0.0093743700000000, 0.0075656800000000, -0.0140728000000000 ] - [ -0.0043666300000000, 0.0034913700000000, -0.0033500600000000 ] - [ -0.0012072000000000, 0.0045334800000000, -0.0004104800000000 ] - [ 0.0014046900000000, 0.0030176100000000, -0.0000249800000000 ] - [ 0.0001289600000000, -0.0021196300000000, -0.0000599700000000 ] - [ -0.0000297500000000, -0.0019229600000000, -0.0001674100000000 ] - [ -0.0016651000000000, -0.0022673600000000, -0.0009907900000000 ] - [ 0.0014550000000000, -0.0020481900000000, -0.0007212200000000 ] - [ 0.0022241900000000, -0.0004988000000000, 0.0039402600000000 ] - [ -0.0019884000000000, -0.0006648100000000, 0.0018984700000000 ] - [ -0.0140669700000000, -0.0103369100000000, 0.0012898500000000 ] - [ 0.0057802700000000, 0.0006750100000000, 0.0006060100000000 ] - [ 0.0024542000000000, -0.0046530300000000, -0.0012182900000000 ] - [ -0.0017529900000000, -0.0031309800000000, 0.0000747800000000 ] - [ -0.0014918500000000, 0.0039929100000000, -0.0005036700000000 ] - [ 0.0192898700000000, -0.0072093600000000, -0.0285291100000000 ] - [ 0.0010068100000000, -0.0033100500000000, -0.0000078600000000 ] - [ -0.0000008000000000, -0.0052453200000000, 0.0006456500000000 ] - [ -0.0001379600000000, 0.0035759800000000, -0.0006845300000000 ] - [ 0.0130812800000000, -0.0035739000000000, 0.0207320100000000 ] - [ 0.0006774700000000, -0.0025759700000000, -0.0008123800000000 ] - [ 0.0007079000000000, -0.0042297800000000, -0.0011175800000000 ] - [ -0.0005197300000000, -0.0040358100000000, 0.0010128200000000 ] - [ -0.0007257600000000, -0.0023138700000000, 0.0006317400000000 ] - [ 0.0004904000000000, 0.0027768700000000, -0.0010694700000000 ] - [ 0.0003847400000000, 0.0019355700000000, -0.0001636200000000 ] - [ 0.0005395200000000, -0.0058490700000000, 0.0006470100000000 ] - [ -0.0010065800000000, -0.0026140400000000, 0.0002634900000000 ] - [ -0.0216784500000000, -0.0487745900000000, 0.0214849600000000 ] - [ 0.0016245000000000, 0.0025616300000000, 0.0007768800000000 ] - [ 0.0052505900000000, 0.3006557500000000, -0.0153074000000000 ] - [ 0.0004216000000000, 0.0030119800000000, -0.0002813400000000 ] - [ 0.0000941600000000, -0.0030165700000000, -0.0006596300000000 ] - [ 0.0002279500000000, -0.0017739100000000, -0.0005419600000000 ] - [ -0.0000311600000000, -0.0027393100000000, 0.0003138100000000 ] - [ -0.0000523500000000, -0.0035568500000000, 0.0002026700000000 ] - [ 0.0001225500000000, 0.0034651800000000, 0.0018625500000000 ] - [ -0.0012389100000000, 0.0109868300000000, 0.0077981200000000 ] - [ -0.0002465600000000, -0.0003189300000000, 0.0010657200000000 ] - [ 0.0001138700000000, -0.0041308300000000, 0.0011918200000000 ] - [ 0.0001810600000000, -0.0003239300000000, -0.0010490400000000 ] - [ -0.0009065300000000, -0.0041126000000000, -0.0072468200000000 ] - [ 0.0016455200000000, -0.0029219400000000, -0.0019957400000000 ] - [ -0.0003586300000000, -0.0003924200000000, -0.0008546400000000 ] - [ 0.0000612600000000, -0.0013601800000000, -0.0002834700000000 ] - [ 0.0004150500000000, -0.0011199300000000, -0.0002999600000000 ] - [ -0.0000100800000000, -0.0014982000000000, -0.0002668500000000 ] - [ 0.0000235600000000, -0.0012676500000000, -0.0002695800000000 ] - [ 0.0007907600000000, 0.0082506100000000, 0.0054434100000000 ] - [ -0.0001063300000000, 0.0002242600000000, -0.0002318400000000 ] - [ -0.0002646500000000, -0.0008692400000000, 0.0003690900000000 ] - [ 0.0002388300000000, -0.0010567400000000, 0.0008148900000000 ] - [ 0.0001257200000000, -0.0008754300000000, 0.0002204200000000 ] - [ -0.0001464200000000, -0.0009819700000000, 0.0000135900000000 ] - [ 0.0018448100000000, 0.0039651900000000, 0.0016068100000000 ] - [ -0.0123218800000000, 0.0015022500000000, 0.0008914500000000 ] - [ 0.0000045800000000, 0.0001176200000000, 0.0003969800000000 ] - [ 0.0000434300000000, 0.0000172800000000, 0.0004251500000000 ] - [ -0.0003568100000000, 0.0002254900000000, 0.0000269000000000 ] - [ 0.0003659800000000, 0.0006471300000000, -0.0001746800000000 ] - [ 0.0004029000000000, 0.0006721600000000, -0.0010456700000000 ] - [ -0.0002774200000000, 0.0005402500000000, -0.0005785700000000 ] - [ -0.0008655300000000, -0.0036434900000000, -0.0013186600000000 ] - [ 0.0046388600000000, -0.0474376000000000, 0.0054995600000000 ] - [ -0.0000265600000000, 0.0018506800000000, -0.0007364600000000 ] - [ 0.0001316100000000, 0.0020909300000000, -0.0007654900000000 ] - [ 0.0002278800000000, -0.0037945100000000, 0.0014710000000000 ] - [ -0.0052691100000000, -0.0049906500000000, -0.0014901900000000 ] - [ 0.0005743600000000, 0.0013488000000000, 0.0008877300000000 ] - [ 0.0007512600000000, 0.0019500000000000, 0.0010517300000000 ] - [ 0.0000831200000000, 0.0009341800000000, -0.0001895600000000 ] - [ -0.0003969500000000, 0.0024578000000000, -0.0008726900000000 ] - [ -0.0009341100000000, -0.0003341600000000, 0.0016217300000000 ] - [ 0.0004988500000000, -0.0011175100000000, 0.0035598000000000 ] - [ 0.0006714400000000, -0.0034088900000000, 0.0000681200000000 ] - [ -0.0048939400000000, -0.0096649600000000, 0.0042947700000000 ] - [ -0.0002942300000000, 0.0024841900000000, -0.0005883900000000 ] - [ -0.0002185800000000, 0.0032148100000000, -0.0006964100000000 ] - [ 0.0006809600000000, -0.0007300700000000, -0.0005381500000000 ] - [ -0.0011322100000000, -0.0001022500000000, -0.0006526300000000 ] - [ -0.0002798100000000, 0.0000736100000000, -0.0010469600000000 ] - [ 0.0001912500000000, 0.0001185800000000, -0.0008222000000000 ] - [ 0.0012074000000000, 0.0013380400000000, -0.0007391800000000 ] - [ -0.0001448600000000, 0.0022043900000000, -0.0003635700000000 ] - [ -0.0016658800000000, 0.0003238100000000, -0.0000964700000000 ] - [ 0.0083794700000000, 0.0097304900000000, 0.0048235400000000 ] - [ 0.0034485000000000, -0.0002763500000000, 0.0024287200000000 ] - [ -0.0062853200000000, 0.0040601100000000, 0.0039913600000000 ] - [ -0.0012595800000000, 0.0019542300000000, 0.0001967900000000 ] - [ 0.0006648400000000, 0.0025773000000000, 0.0000325900000000 ] - [ 0.0001650200000000, 0.0031130700000000, 0.0007333400000000 ] - [ -0.0000922300000000, 0.0008708800000000, 0.0004769400000000 ] - [ 0.0002409600000000, -0.0001049000000000, 0.0003347900000000 ] - [ 0.0003578500000000, -0.0000568400000000, 0.0001399800000000 ] - [ -0.0000004300000000, 0.0010198700000000, 0.0009975300000000 ] - [ -0.0001347500000000, 0.0006130800000000, 0.0009118900000000 ] - [ -0.0001541500000000, -0.0074948900000000, -0.0031195600000000 ] - [ -0.0001655300000000, -0.0023235300000000, 0.0002431800000000 ] - [ -0.0004867000000000, 0.0041840100000000, 0.0001375100000000 ] - [ -0.0007852200000000, 0.0008298300000000, -0.0010937100000000 ] - [ -0.0028984800000000, 0.0127106200000000, -0.0067892600000000 ] - [ 0.0003959200000000, -0.0003433800000000, -0.0010793200000000 ] - [ 0.0000922500000000, 0.0035926800000000, -0.0003087300000000 ] - [ 0.0001511800000000, 0.0020798700000000, -0.0000348000000000 ] - [ 0.0256739600000000, -0.0987549700000000, 0.0044111200000000 ] - [ -0.0001406200000000, -0.0031570200000000, 0.0005879300000000 ] - [ -0.0119656600000000, -0.0563410600000000, 0.0254339600000000 ] - [ -0.0002199100000000, -0.0017952000000000, 0.0016562800000000 ] - [ -0.0004323100000000, 0.0020549900000000, 0.0002683500000000 ] - [ -0.0003722700000000, 0.0013199700000000, 0.0004480900000000 ] - [ 0.0004961000000000, 0.0023466100000000, -0.0008910800000000 ] - [ 0.0001164700000000, 0.0015638300000000, -0.0008958100000000 ] - [ -0.0002599000000000, -0.0038277400000000, -0.0000653000000000 ] - [ -0.0007675700000000, -0.0016093700000000, -0.0004301500000000 ] - [ 0.0013726200000000, -0.0009233200000000, -0.0012961500000000 ] - [ -0.0026668600000000, 0.0036892900000000, -0.0027976800000000 ] - [ -0.0007545900000000, 0.0013952300000000, 0.0005607200000000 ] - [ 0.0001821800000000, 0.0038584700000000, 0.0017529200000000 ] - [ -0.0157809600000000, -0.0631694900000000, -0.0248008000000000 ] - [ 0.0000604300000000, -0.0023087600000000, -0.0014922200000000 ] - [ 0.0003252600000000, 0.0027001700000000, 0.0001847900000000 ] - [ 0.0001645500000000, 0.0015652600000000, -0.0000363800000000 ] - [ 0.0000852200000000, 0.0026305700000000, -0.0000571100000000 ] - [ -0.0003426600000000, 0.0009835500000000, 0.0006277300000000 ] - [ -0.0009144700000000, 0.0029023400000000, 0.0038007800000000 ] - [ 0.0002025600000000, 0.0006095500000000, 0.0014175700000000 ] - [ -0.0001592500000000, 0.0015577200000000, -0.0037998000000000 ] - [ -0.0001351800000000, -0.0008732300000000, -0.0000249700000000 ] - [ -0.0001419500000000, 0.0016458300000000, -0.0000679700000000 ] - [ -0.0000999800000000, 0.0010407400000000, -0.0003810300000000 ] - [ 0.0003099300000000, 0.0016384600000000, 0.0007335600000000 ] - [ -0.0003035700000000, 0.0024274200000000, 0.0011478000000000 ] - [ -0.0020002800000000, -0.0016438300000000, -0.0013305700000000 ] - [ 0.0082690300000000, -0.0003941800000000, -0.0122354500000000 ] - [ 0.0005204900000000, 0.0011829500000000, -0.0008696100000000 ] - [ 0.0002284900000000, 0.0016730000000000, -0.0011249000000000 ] - [ 0.0001181700000000, -0.0014040900000000, -0.0008337300000000 ] - [ 0.0007993200000000, -0.0024341000000000, -0.0021262200000000 ] - [ -0.0012144500000000, 0.0029449200000000, 0.0081945200000000 ] - [ -0.0004454200000000, -0.0008178900000000, 0.0009087800000000 ] - [ -0.0003153700000000, 0.0014775400000000, 0.0000970300000000 ] - [ -0.0003822600000000, 0.0009425500000000, 0.0005143700000000 ]- atom: 33 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ -0.0004787500000000, -0.0008798500000000, -0.0002927600000000 ] - [ 0.0002108800000000, -0.0007402800000000, -0.0002138500000000 ] - [ -0.0101140000000000, 0.0119994400000000, 0.0004514200000000 ] - [ 0.0045575600000000, 0.0027822800000000, -0.0020952000000000 ] - [ 0.0000260500000000, 0.0002096900000000, 0.0070676100000000 ] - [ 0.0002367200000000, 0.0002601400000000, 0.0056776400000000 ] - [ 0.0000579100000000, 0.0000359100000000, 0.0002208800000000 ] - [ 0.0001084100000000, 0.0000730000000000, 0.0001883900000000 ] - [ 0.0010321600000000, 0.0021277700000000, 0.0020617100000000 ] - [ -0.0013450100000000, 0.0018620100000000, 0.0021158300000000 ] - [ 0.0006579100000000, -0.0011022000000000, 0.0007561100000000 ] - [ -0.0009062900000000, -0.0007168800000000, 0.0008294000000000 ] - [ 0.0011087100000000, -0.0007241100000000, -0.0172297200000000 ] - [ -0.0001454500000000, 0.0000111100000000, -0.0055948600000000 ] - [ 0.0003084700000000, -0.0003535300000000, -0.0005975300000000 ] - [ -0.0000290500000000, -0.0002475600000000, -0.0005750400000000 ] - [ 0.0028319700000000, -0.0006079100000000, -0.0001747800000000 ] - [ -0.0223544300000000, 0.0207313700000000, 0.0413074100000000 ] - [ 0.0006491400000000, -0.0002837500000000, -0.0003740500000000 ] - [ 0.0007579800000000, -0.0004458900000000, -0.0003172100000000 ] - [ -0.0022104200000000, -0.0010476200000000, -0.0012131400000000 ] - [ 0.0259252300000000, -0.0224232900000000, 0.0471815200000000 ] - [ 0.0004073700000000, 0.0003240500000000, -0.0005195400000000 ] - [ 0.0003603200000000, 0.0001869500000000, -0.0005725200000000 ] - [ -0.0009188800000000, -0.0011748600000000, 0.0024735800000000 ] - [ -0.0005912000000000, -0.0004654200000000, 0.0013116000000000 ] - [ 0.0018770900000000, 0.0031446800000000, 0.0056313400000000 ] - [ -0.0005566300000000, 0.0005696000000000, 0.0021624300000000 ] - [ -0.0025768300000000, 0.0026426300000000, -0.0029069900000000 ] - [ -0.0006749000000000, 0.0008294000000000, -0.0006338100000000 ] - [ -0.0008015900000000, -0.0099223100000000, 0.0003983800000000 ] - [ -0.0003859200000000, 0.0002193600000000, -0.0009007000000000 ] - [ 0.0207152400000000, 0.0209922200000000, -0.3157559900000000 ] - [ -0.0000746300000000, 0.0003266300000000, -0.0015945600000000 ] - [ 0.0000261100000000, 0.0006952200000000, -0.0007490200000000 ] - [ 0.0000973600000000, 0.0005815100000000, -0.0007224700000000 ] - [ -0.0001623700000000, -0.0003557000000000, 0.0009123200000000 ] - [ -0.0001778900000000, -0.0002466800000000, 0.0013644300000000 ] - [ 0.0002848500000000, -0.0018990600000000, 0.0013594600000000 ] - [ -0.0027982400000000, -0.0078217900000000, 0.0061869300000000 ] - [ -0.0000511100000000, -0.0010117400000000, -0.0002224500000000 ] - [ -0.0005295600000000, -0.0072434100000000, -0.0012190000000000 ] - [ -0.0002185100000000, 0.0011056800000000, -0.0002277100000000 ] - [ -0.0001362700000000, 0.0012243000000000, -0.0012359300000000 ] - [ 0.0000553200000000, -0.0020366200000000, 0.0104247100000000 ] - [ 0.0000385600000000, -0.0008948000000000, 0.0014735400000000 ] - [ 0.0001428000000000, -0.0003214700000000, -0.0001764200000000 ] - [ 0.0001101600000000, -0.0003412700000000, -0.0002056500000000 ] - [ -0.0000046700000000, -0.0005699900000000, -0.0003500300000000 ] - [ -0.0000345300000000, -0.0006548400000000, -0.0003719900000000 ] - [ 0.0033296500000000, -0.0075126700000000, 0.0043217600000000 ] - [ -0.0003645000000000, -0.0008233000000000, -0.0007318200000000 ] - [ -0.0003053300000000, -0.0010701600000000, 0.0006870600000000 ] - [ 0.0003437200000000, -0.0013160400000000, 0.0014352200000000 ] - [ 0.0000308300000000, -0.0005799500000000, 0.0004341800000000 ] - [ 0.0000405900000000, -0.0005435700000000, 0.0004900300000000 ] - [ 0.0023136300000000, -0.0003220700000000, -0.0003917300000000 ] - [ -0.0257772500000000, -0.0004508900000000, 0.0005649700000000 ] - [ 0.0000272500000000, 0.0007784900000000, 0.0002759900000000 ] - [ -0.0000086400000000, 0.0007927700000000, 0.0002287800000000 ] - [ -0.0004313700000000, -0.0010038000000000, 0.0006454900000000 ] - [ 0.0004864400000000, 0.0004147900000000, -0.0000696200000000 ] - [ 0.0000934300000000, 0.0010396400000000, -0.0002813800000000 ] - [ -0.0000010200000000, 0.0008303800000000, -0.0002929500000000 ] - [ 0.0002163700000000, 0.0009542500000000, 0.0014035800000000 ] - [ 0.0142237900000000, -0.0050947100000000, 0.0567832100000000 ] - [ 0.0000668700000000, 0.0005224500000000, -0.0006739100000000 ] - [ 0.0001319200000000, 0.0005134500000000, -0.0006259300000000 ] - [ 0.0032427700000000, -0.0002544100000000, -0.0009035500000000 ] - [ -0.0103735100000000, -0.0024335200000000, -0.0085880500000000 ] - [ 0.0002166800000000, -0.0001375700000000, 0.0007607200000000 ] - [ 0.0001565300000000, -0.0000163600000000, 0.0007843500000000 ] - [ 0.0001653400000000, 0.0004120200000000, -0.0000479900000000 ] - [ 0.0000161300000000, 0.0023294900000000, -0.0012805700000000 ] - [ 0.0007450100000000, -0.0010101900000000, -0.0001029500000000 ] - [ -0.0002550700000000, -0.0016647000000000, 0.0001493000000000 ] - [ -0.0016127100000000, 0.0007877200000000, -0.0010981100000000 ] - [ 0.0068009500000000, 0.0043387300000000, -0.0085282200000000 ] - [ -0.0001442800000000, 0.0000860400000000, -0.0003256000000000 ] - [ -0.0001467900000000, 0.0000823600000000, -0.0004232300000000 ] - [ 0.0001303900000000, -0.0001585000000000, -0.0018575600000000 ] - [ -0.0000805700000000, 0.0000805600000000, -0.0041896500000000 ] - [ 0.0000201500000000, -0.0005482100000000, -0.0010316900000000 ] - [ 0.0000087000000000, -0.0005568200000000, -0.0010952100000000 ] - [ 0.0003418500000000, 0.0001936100000000, 0.0004420500000000 ] - [ 0.0005582800000000, 0.0013910300000000, 0.0025328100000000 ] - [ 0.0006194900000000, -0.0002725300000000, 0.0002390700000000 ] - [ 0.0020928400000000, 0.0008042800000000, 0.0012707100000000 ] - [ -0.0021414700000000, -0.0008735500000000, 0.0011594300000000 ] - [ 0.0095515700000000, -0.0068553100000000, -0.0017102700000000 ] - [ 0.0000027700000000, 0.0004557400000000, 0.0009200400000000 ] - [ 0.0001514900000000, 0.0006859900000000, 0.0008892800000000 ] - [ 0.0004723900000000, 0.0005466200000000, -0.0023412500000000 ] - [ 0.0003536300000000, 0.0003721300000000, -0.0005479400000000 ] - [ -0.0000710300000000, -0.0007031500000000, -0.0008681400000000 ] - [ 0.0003147500000000, -0.0001785400000000, -0.0003264400000000 ] - [ -0.0000148500000000, -0.0007904300000000, 0.0004766000000000 ] - [ 0.0000259100000000, -0.0007228800000000, 0.0006833500000000 ] - [ -0.0001227100000000, 0.0039378000000000, -0.0028301500000000 ] - [ 0.0001454700000000, -0.0002294200000000, 0.0004364000000000 ] - [ -0.0004883500000000, -0.0044659300000000, 0.0007461000000000 ] - [ 0.0002718000000000, -0.0007401100000000, -0.0000183100000000 ] - [ -0.0006683500000000, -0.0006421600000000, -0.0008832600000000 ] - [ 0.0000656400000000, -0.0001248000000000, -0.0004074900000000 ] - [ 0.0004620500000000, -0.0009151300000000, 0.0010376700000000 ] - [ 0.0001555400000000, -0.0003713600000000, 0.0005438600000000 ] - [ -0.0012301200000000, -0.0062205400000000, 0.0451307000000000 ] - [ -0.0000347100000000, -0.0003194300000000, 0.0008775700000000 ] - [ -0.0240900000000000, -0.0245263900000000, 0.0983916000000000 ] - [ 0.0000847300000000, -0.0003219000000000, 0.0024738500000000 ] - [ -0.0003706200000000, -0.0001156800000000, 0.0009570300000000 ] - [ -0.0003791200000000, -0.0000738300000000, 0.0008630700000000 ] - [ 0.0001372800000000, 0.0007612100000000, -0.0013097700000000 ] - [ -0.0001969600000000, 0.0004094800000000, -0.0010917000000000 ] - [ -0.0002525400000000, -0.0031089500000000, -0.0061280800000000 ] - [ -0.0005703700000000, -0.0004938800000000, -0.0016874200000000 ] - [ 0.0008258500000000, 0.0012956000000000, 0.0005689700000000 ] - [ -0.0073728400000000, 0.0112322900000000, -0.0013160300000000 ] - [ -0.0002518700000000, -0.0004908700000000, -0.0000836000000000 ] - [ -0.0002452200000000, -0.0004265700000000, 0.0000929000000000 ] - [ 0.0147495500000000, 0.0218329200000000, 0.0721776900000000 ] - [ -0.0001782500000000, 0.0007020300000000, 0.0010077700000000 ] - [ -0.0000109200000000, -0.0000128500000000, -0.0001962000000000 ] - [ 0.0000251600000000, -0.0000082000000000, -0.0002023100000000 ] - [ 0.0005239100000000, 0.0042416900000000, 0.0011304900000000 ] - [ -0.0004192300000000, 0.0010318400000000, 0.0011450300000000 ] - [ -0.0003877900000000, 0.0002570100000000, 0.0017665000000000 ] - [ -0.0000039400000000, 0.0002094800000000, 0.0010593800000000 ] - [ -0.0002945500000000, 0.0060595500000000, -0.0146885300000000 ] - [ -0.0000113400000000, 0.0008697400000000, -0.0015444900000000 ] - [ 0.0000241700000000, 0.0001078400000000, -0.0004024000000000 ] - [ 0.0000231700000000, 0.0000367700000000, -0.0004228400000000 ] - [ -0.0002063500000000, -0.0003635700000000, 0.0003311700000000 ] - [ 0.0001473600000000, -0.0008820200000000, 0.0002938800000000 ] - [ -0.0005910700000000, 0.0004733000000000, 0.0006879400000000 ] - [ 0.0010402200000000, 0.0030170600000000, 0.0006143200000000 ] - [ 0.0002808000000000, 0.0000407100000000, -0.0011503300000000 ] - [ 0.0001710600000000, 0.0002266400000000, -0.0016063600000000 ] - [ 0.0002037400000000, 0.0002701500000000, -0.0021185500000000 ] - [ 0.0005833200000000, 0.0015584000000000, -0.0051919300000000 ] - [ -0.0002112500000000, -0.0044681000000000, -0.0127702100000000 ] - [ -0.0004353600000000, -0.0001176700000000, -0.0007994600000000 ] - [ -0.0004090900000000, -0.0000363100000000, 0.0003248900000000 ] - [ -0.0003587300000000, -0.0000167100000000, 0.0004327200000000 ]- atom: 33 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ 0.0002696700000000, 0.0006321100000000, 0.0006029300000000 ] - [ -0.0004159700000000, 0.0004931300000000, 0.0005244200000000 ] - [ 0.0098461600000000, -0.0121757400000000, -0.0001910300000000 ] - [ -0.0047438800000000, -0.0030048000000000, 0.0023438700000000 ] - [ 0.0001729100000000, 0.0000168800000000, -0.0073767700000000 ] - [ -0.0000043500000000, -0.0000175600000000, -0.0059793100000000 ] - [ 0.0001488300000000, 0.0002042500000000, -0.0005321100000000 ] - [ 0.0000988200000000, 0.0001680100000000, -0.0004991000000000 ] - [ -0.0012360000000000, -0.0018791900000000, -0.0017506700000000 ] - [ 0.0011410200000000, -0.0016224300000000, -0.0018020100000000 ] - [ -0.0008657700000000, 0.0013540200000000, -0.0004262600000000 ] - [ 0.0007020600000000, 0.0009649500000000, -0.0005095100000000 ] - [ -0.0009009400000000, 0.0004980500000000, 0.0168947000000000 ] - [ 0.0003337400000000, -0.0002045000000000, 0.0052776200000000 ] - [ -0.0000946100000000, 0.0000962600000000, 0.0002794400000000 ] - [ 0.0002312600000000, -0.0000038800000000, 0.0002635100000000 ] - [ -0.0017821300000000, 0.0001642600000000, -0.0007518500000000 ] - [ 0.0233825900000000, -0.0215469100000000, -0.0425307400000000 ] - [ 0.0004093200000000, -0.0001702700000000, -0.0005670500000000 ] - [ 0.0002944500000000, -0.0000128300000000, -0.0006195500000000 ] - [ 0.0032584000000000, 0.0014988200000000, 0.0002525300000000 ] - [ -0.0248903500000000, 0.0225086100000000, -0.0476444800000000 ] - [ 0.0006496300000000, 0.0001204400000000, -0.0004260000000000 ] - [ 0.0006967600000000, 0.0002561000000000, -0.0003747100000000 ] - [ -0.0001431400000000, 0.0007226100000000, -0.0015232100000000 ] - [ -0.0004648000000000, 0.0000125800000000, -0.0003685000000000 ] - [ -0.0029242600000000, -0.0035532100000000, -0.0046904500000000 ] - [ -0.0004954200000000, -0.0010109000000000, -0.0012185900000000 ] - [ 0.0015216800000000, -0.0022017200000000, 0.0038491500000000 ] - [ -0.0003844000000000, -0.0003814100000000, 0.0015746300000000 ] - [ -0.0002986800000000, 0.0103127300000000, 0.0006851400000000 ] - [ -0.0006704200000000, 0.0002208700000000, 0.0018531200000000 ] - [ -0.0150196900000000, -0.0113214200000000, 0.3119727100000000 ] - [ 0.0002512900000000, 0.0007261200000000, 0.0006211900000000 ] - [ 0.0001685400000000, 0.0003441100000000, -0.0002210000000000 ] - [ 0.0000983200000000, 0.0004618100000000, -0.0002464800000000 ] - [ -0.0000329000000000, -0.0006927000000000, 0.0000577400000000 ] - [ -0.0000200800000000, -0.0008034300000000, -0.0003952000000000 ] - [ -0.0004759800000000, 0.0008600000000000, -0.0003824200000000 ] - [ 0.0026234700000000, 0.0068541400000000, -0.0052338600000000 ] - [ -0.0001462800000000, 0.0020542000000000, 0.0011902700000000 ] - [ 0.0003261700000000, 0.0082572100000000, 0.0021828500000000 ] - [ 0.0000244400000000, -0.0000596200000000, 0.0011852600000000 ] - [ -0.0000578800000000, -0.0001806900000000, 0.0021625100000000 ] - [ 0.0001220500000000, 0.0010014700000000, -0.0113833600000000 ] - [ 0.0001588100000000, -0.0001552900000000, -0.0024380200000000 ] - [ 0.0000528900000000, -0.0007158000000000, -0.0007904300000000 ] - [ 0.0000868000000000, -0.0007027100000000, -0.0007615600000000 ] - [ -0.0000226100000000, -0.0008700400000000, -0.0003164500000000 ] - [ 0.0000078800000000, -0.0007842700000000, -0.0002947300000000 ] - [ -0.0034058200000000, 0.0061120100000000, -0.0050012700000000 ] - [ 0.0003386500000000, -0.0006150700000000, 0.0000727200000000 ] - [ 0.0003326100000000, -0.0003686400000000, -0.0000198600000000 ] - [ -0.0003154500000000, -0.0001257800000000, -0.0007657600000000 ] - [ -0.0000043100000000, -0.0008578900000000, 0.0002320700000000 ] - [ -0.0000140200000000, -0.0008928000000000, 0.0001763400000000 ] - [ -0.0022754300000000, 0.0017672800000000, 0.0010665300000000 ] - [ 0.0258860800000000, 0.0020406500000000, 0.0001345600000000 ] - [ -0.0000008200000000, 0.0006592700000000, 0.0003907600000000 ] - [ 0.0000350600000000, 0.0006445000000000, 0.0004385800000000 ] - [ 0.0004039900000000, 0.0024445100000000, -0.0013085500000000 ] - [ -0.0005120200000000, 0.0010223800000000, -0.0005968000000000 ] - [ -0.0001197800000000, 0.0004004700000000, -0.0003874700000000 ] - [ -0.0000254800000000, 0.0006082300000000, -0.0003754800000000 ] - [ -0.0000901100000000, 0.0000600000000000, -0.0030507400000000 ] - [ -0.0147754500000000, 0.0058006700000000, -0.0583037800000000 ] - [ 0.0000598300000000, 0.0005057000000000, -0.0009805400000000 ] - [ -0.0000058200000000, 0.0005143600000000, -0.0010289400000000 ] - [ -0.0029245100000000, -0.0002222800000000, 0.0025635100000000 ] - [ 0.0106157200000000, 0.0019630200000000, 0.0101745800000000 ] - [ 0.0000918300000000, -0.0003389800000000, 0.0008972400000000 ] - [ 0.0001482300000000, -0.0004614000000000, 0.0008749000000000 ] - [ -0.0002035400000000, -0.0005233500000000, 0.0006640300000000 ] - [ -0.0000537300000000, -0.0024298000000000, 0.0018898600000000 ] - [ -0.0007816900000000, 0.0008919900000000, 0.0007240500000000 ] - [ 0.0002111700000000, 0.0015354900000000, 0.0004835500000000 ] - [ 0.0012383100000000, -0.0004208900000000, 0.0006633800000000 ] - [ -0.0072180700000000, -0.0039755200000000, 0.0081390300000000 ] - [ -0.0002362100000000, 0.0002850200000000, -0.0001045500000000 ] - [ -0.0002357000000000, 0.0002901100000000, -0.0000065100000000 ] - [ -0.0000052400000000, -0.0008653500000000, 0.0002036900000000 ] - [ 0.0002176300000000, -0.0011003700000000, 0.0025316800000000 ] - [ 0.0001086900000000, -0.0004764300000000, -0.0006214200000000 ] - [ 0.0001160900000000, -0.0004710700000000, -0.0005599500000000 ] - [ 0.0004483600000000, -0.0002348500000000, -0.0017735300000000 ] - [ 0.0002251900000000, -0.0014281400000000, -0.0038588900000000 ] - [ 0.0001628000000000, 0.0002329500000000, -0.0015647100000000 ] - [ -0.0012811800000000, -0.0008066300000000, -0.0025741400000000 ] - [ 0.0024495700000000, 0.0013513500000000, 0.0005006000000000 ] - [ -0.0092608300000000, 0.0073534800000000, 0.0033669200000000 ] - [ 0.0002985500000000, 0.0000284400000000, 0.0007318200000000 ] - [ 0.0001547700000000, -0.0002017600000000, 0.0007626400000000 ] - [ -0.0000893200000000, -0.0001844500000000, 0.0027666600000000 ] - [ 0.0000257100000000, -0.0000020900000000, 0.0009768800000000 ] - [ 0.0004526500000000, 0.0010563000000000, 0.0012961500000000 ] - [ 0.0000653400000000, 0.0005432000000000, 0.0007547800000000 ] - [ -0.0001138000000000, -0.0002323500000000, 0.0011764200000000 ] - [ -0.0001541400000000, -0.0003015200000000, 0.0009703600000000 ] - [ 0.0000084000000000, -0.0049816700000000, 0.0044709600000000 ] - [ -0.0002748000000000, -0.0008022800000000, 0.0012148600000000 ] - [ 0.0001823700000000, 0.0039919900000000, -0.0023953900000000 ] - [ -0.0005752900000000, 0.0002553400000000, -0.0016421400000000 ] - [ 0.0003570800000000, 0.0002291000000000, -0.0008285300000000 ] - [ -0.0003701300000000, -0.0003539500000000, -0.0012535500000000 ] - [ -0.0000799300000000, 0.0005517100000000, -0.0006091700000000 ] - [ 0.0002262400000000, 0.0000052700000000, -0.0001156900000000 ] - [ 0.0017996600000000, 0.0050045900000000, -0.0445502500000000 ] - [ 0.0004304800000000, -0.0000407000000000, -0.0004486200000000 ] - [ 0.0203888500000000, 0.0209753100000000, -0.0898453400000000 ] - [ -0.0008579400000000, 0.0002725600000000, -0.0011230000000000 ] - [ -0.0004134400000000, 0.0000766100000000, 0.0003755800000000 ] - [ -0.0004055400000000, 0.0000329800000000, 0.0004686800000000 ] - [ -0.0004408600000000, -0.0002780700000000, -0.0003484200000000 ] - [ -0.0001072800000000, 0.0000738000000000, -0.0005636700000000 ] - [ -0.0000432700000000, 0.0035694000000000, 0.0044495900000000 ] - [ 0.0002566900000000, 0.0009663400000000, 0.0000355100000000 ] - [ -0.0012013000000000, -0.0016649000000000, -0.0009984200000000 ] - [ 0.0069626400000000, -0.0115403000000000, 0.0008779000000000 ] - [ -0.0001298400000000, 0.0001249800000000, -0.0003412200000000 ] - [ -0.0001361900000000, 0.0000659800000000, -0.0005123300000000 ] - [ -0.0167120100000000, -0.0255738500000000, -0.0775517900000000 ] - [ 0.0002303800000000, -0.0008222700000000, -0.0016377600000000 ] - [ 0.0000518600000000, -0.0000922700000000, -0.0004208200000000 ] - [ 0.0000151300000000, -0.0001006000000000, -0.0004153700000000 ] - [ -0.0006452600000000, -0.0032060200000000, 0.0005204800000000 ] - [ 0.0002894100000000, -0.0000080500000000, 0.0005083400000000 ] - [ 0.0002577400000000, 0.0007681100000000, -0.0000983200000000 ] - [ -0.0001205300000000, 0.0008152600000000, 0.0006003900000000 ] - [ 0.0003593100000000, -0.0059803700000000, 0.0141438800000000 ] - [ 0.0000468700000000, -0.0007553000000000, 0.0009301600000000 ] - [ 0.0000150300000000, 0.0000038500000000, -0.0002109000000000 ] - [ 0.0000171800000000, 0.0000755800000000, -0.0001922100000000 ] - [ 0.0001688100000000, 0.0004765800000000, 0.0002856800000000 ] - [ -0.0001887000000000, 0.0009964000000000, 0.0003242300000000 ] - [ 0.0005483600000000, -0.0003641200000000, -0.0000835300000000 ] - [ -0.0010738100000000, -0.0029204000000000, -0.0000657900000000 ] - [ 0.0005029300000000, 0.0000035600000000, -0.0001820300000000 ] - [ 0.0006106400000000, -0.0001827100000000, 0.0002740900000000 ] - [ 0.0005874700000000, -0.0002287400000000, 0.0007814700000000 ] - [ 0.0001971000000000, -0.0015357800000000, 0.0038597700000000 ] - [ -0.0005529500000000, 0.0044876200000000, 0.0140160600000000 ] - [ -0.0003532100000000, 0.0001617000000000, 0.0021270300000000 ] - [ -0.0003734000000000, 0.0000807200000000, 0.0010018100000000 ] - [ -0.0004267800000000, 0.0000605900000000, 0.0008982200000000 ]- atom: 49 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ -0.0012437200000000, -0.0002228300000000, -0.0001818300000000 ] - [ 0.0005660300000000, -0.0000446100000000, 0.0003482000000000 ] - [ -0.0002193600000000, -0.0001339200000000, 0.0001642400000000 ] - [ 0.0000066300000000, -0.0001397400000000, 0.0001596300000000 ] - [ -0.0000266100000000, 0.0001217700000000, -0.0001409100000000 ] - [ 0.0002194200000000, 0.0001041600000000, -0.0001607200000000 ] - [ -0.0020927300000000, -0.0001123600000000, 0.0024830600000000 ] - [ 0.0010422100000000, 0.0005659200000000, -0.0004623100000000 ] - [ -0.0017983600000000, -0.0013331000000000, 0.0015814000000000 ] - [ 0.0007188100000000, 0.0001100700000000, -0.0003449400000000 ] - [ -0.0005623200000000, 0.0002624600000000, 0.0002387000000000 ] - [ 0.0002935600000000, 0.0000630500000000, 0.0000493900000000 ] - [ -0.0002448900000000, -0.0001409500000000, -0.0001631600000000 ] - [ 0.0004348100000000, -0.0001607700000000, -0.0001987100000000 ] - [ -0.0010089600000000, -0.0000530700000000, -0.0002707700000000 ] - [ 0.0007626500000000, -0.0001504800000000, -0.0000714500000000 ] - [ 0.0005677200000000, -0.0004435500000000, -0.0004454500000000 ] - [ 0.0005185700000000, -0.0000690300000000, -0.0004826700000000 ] - [ 0.0024085600000000, 0.0032698100000000, -0.0016735100000000 ] - [ 0.0022371100000000, -0.0059020200000000, -0.0009465900000000 ] - [ 0.0005153300000000, 0.0001004100000000, -0.0004601400000000 ] - [ 0.0005804200000000, 0.0003246800000000, -0.0005069000000000 ] - [ 0.0004109800000000, 0.0004879400000000, -0.0007298500000000 ] - [ 0.0009377000000000, -0.0000752800000000, -0.0000580800000000 ] - [ 0.0022166900000000, 0.0001272900000000, 0.0001604500000000 ] - [ -0.0001412700000000, -0.0006515200000000, 0.0013103400000000 ] - [ -0.0005181000000000, -0.0003656100000000, 0.0004672800000000 ] - [ -0.0005313000000000, -0.0000862100000000, 0.0005069700000000 ] - [ -0.0001922000000000, 0.0049385100000000, 0.0042433600000000 ] - [ 0.0012318700000000, -0.0010703500000000, -0.0018833900000000 ] - [ -0.0005024300000000, -0.0000084900000000, 0.0005171500000000 ] - [ -0.0004628800000000, 0.0003850200000000, 0.0003996600000000 ] - [ 0.0001262500000000, 0.0005180500000000, -0.0004741600000000 ] - [ 0.0000777300000000, 0.0004847100000000, -0.0005042300000000 ] - [ 0.0008288300000000, -0.0002807600000000, 0.0028726900000000 ] - [ 0.0011786300000000, 0.0006122600000000, -0.0008257100000000 ] - [ 0.0032333500000000, -0.0023341000000000, 0.0027817900000000 ] - [ 0.0139773200000000, 0.0119322600000000, -0.0254706800000000 ] - [ -0.0000633900000000, -0.0005129600000000, 0.0004975600000000 ] - [ -0.0001262500000000, -0.0005515300000000, 0.0004616700000000 ] - [ 0.0000178300000000, 0.0002443100000000, 0.0001656900000000 ] - [ -0.0000529100000000, 0.0007447900000000, 0.0008112900000000 ] - [ -0.0000556200000000, 0.0006339800000000, 0.0005006200000000 ] - [ -0.0001190700000000, 0.0003625500000000, 0.0005103600000000 ] - [ 0.0002991200000000, -0.0001073200000000, -0.0003761000000000 ] - [ 0.0000418500000000, -0.0007837800000000, -0.0004720600000000 ] - [ 0.0002100700000000, -0.0008625900000000, -0.0008971600000000 ] - [ 0.0000687100000000, -0.0001459900000000, 0.0000109500000000 ] - [ -0.0896093800000000, -0.0590611700000000, 0.1181899600000000 ] - [ 0.0005052600000000, -0.0006858200000000, -0.0003993800000000 ] - [ -0.0000331600000000, -0.0007207000000000, -0.0003424000000000 ] - [ 0.0000066500000000, -0.0007267400000000, -0.0003288800000000 ] - [ -0.0000563500000000, -0.0007410800000000, 0.0003283900000000 ] - [ 0.0000739200000000, -0.0007392500000000, 0.0003625200000000 ] - [ -0.0000563900000000, -0.0007236600000000, 0.0003534900000000 ] - [ 0.0000743900000000, -0.0007212200000000, 0.0003363600000000 ] - [ -0.0000059600000000, 0.0007186200000000, 0.0003230800000000 ] - [ 0.0000313100000000, 0.0007126900000000, 0.0003424400000000 ] - [ 0.0014472100000000, 0.0012088900000000, -0.0014497300000000 ] - [ 0.0005448200000000, 0.0005919000000000, 0.0006982200000000 ] - [ -0.0000678800000000, 0.0007445000000000, -0.0003727700000000 ] - [ 0.0000186800000000, 0.0006952600000000, -0.0003051700000000 ] - [ -0.0000613900000000, 0.0006898400000000, -0.0003425300000000 ] - [ 0.0000335200000000, 0.0007445400000000, -0.0003092500000000 ] - [ 0.0001030500000000, 0.0005243400000000, -0.0008146300000000 ] - [ 0.0000219400000000, 0.0005241700000000, -0.0008427200000000 ] - [ -0.0003817300000000, 0.0004821900000000, -0.0005098200000000 ] - [ -0.0004443100000000, 0.0005995600000000, -0.0012939900000000 ] - [ 0.0002179400000000, -0.0001838900000000, 0.0008372200000000 ] - [ 0.0000949200000000, -0.0002682000000000, 0.0008233200000000 ] - [ 0.0004217400000000, -0.0001931300000000, 0.0008464000000000 ] - [ -0.0001829400000000, -0.0003226700000000, 0.0006633500000000 ] - [ 0.0000941900000000, 0.0000346500000000, 0.0001721800000000 ] - [ -0.0003099400000000, -0.0000281800000000, 0.0000514200000000 ] - [ -0.0000034800000000, -0.0001296100000000, 0.0002902100000000 ] - [ -0.0000472300000000, 0.0000267000000000, 0.0002950800000000 ] - [ -0.0001820200000000, 0.0002420700000000, -0.0002412700000000 ] - [ -0.0002155700000000, 0.0001523800000000, -0.0001931300000000 ] - [ -0.0035952500000000, -0.0017035400000000, -0.0011039100000000 ] - [ -0.0031196800000000, 0.0012817100000000, 0.0015988300000000 ] - [ 0.0001672000000000, -0.0004227500000000, -0.0008448300000000 ] - [ -0.0001166000000000, -0.0005341700000000, -0.0008520600000000 ] - [ 0.0002388700000000, -0.0006677600000000, -0.0010002400000000 ] - [ -0.0001101300000000, -0.0003902500000000, -0.0007239400000000 ] - [ 0.0004291900000000, 0.0003677800000000, 0.0000077700000000 ] - [ 0.0002219200000000, -0.0003957100000000, -0.0011828600000000 ] - [ 0.0004283100000000, -0.0000672100000000, -0.0006417000000000 ] - [ 0.0003554300000000, 0.0000518700000000, -0.0006871200000000 ] - [ 0.0003198800000000, 0.0004433200000000, 0.0008074300000000 ] - [ 0.0000165200000000, 0.0000594100000000, 0.0008230600000000 ] - [ 0.0004723600000000, -0.0008228900000000, 0.0011736500000000 ] - [ -0.0003827900000000, 0.0009346800000000, 0.0007126100000000 ] - [ -0.0001466200000000, -0.0006124200000000, 0.0004462700000000 ] - [ 0.0000589100000000, 0.0005181400000000, 0.0001586900000000 ] - [ 0.0002621700000000, 0.0004270100000000, 0.0002989400000000 ] - [ 0.0001304600000000, -0.0000626600000000, 0.0001089800000000 ] - [ 0.0716075300000000, 0.0455950600000000, -0.0946554000000000 ] - [ -0.0016787500000000, -0.0002838100000000, 0.0005371500000000 ] - [ -0.0000163800000000, -0.0005108900000000, 0.0008452400000000 ] - [ -0.0001126500000000, -0.0005098100000000, 0.0008256000000000 ] - [ 0.0008382900000000, -0.0008999100000000, -0.0008883500000000 ] - [ -0.0010940700000000, 0.0003847600000000, -0.0005708400000000 ] - [ 0.0000303200000000, 0.0000036600000000, -0.0008002800000000 ] - [ -0.0003481200000000, -0.0003019200000000, -0.0008000200000000 ] - [ 0.0019564000000000, -0.0006467500000000, -0.0023701600000000 ] - [ -0.0005356500000000, -0.0002081900000000, 0.0007105300000000 ] - [ 0.0002101200000000, -0.0001207000000000, 0.0001904000000000 ] - [ 0.0001740800000000, -0.0001920400000000, 0.0002327700000000 ] - [ -0.0003745900000000, -0.0000445000000000, 0.0006788700000000 ] - [ -0.0004107300000000, 0.0000123100000000, 0.0006612600000000 ] - [ -0.0002447700000000, 0.0003065600000000, -0.0001737900000000 ] - [ -0.0007646100000000, -0.0002353100000000, 0.0010703500000000 ] - [ -0.0001978800000000, 0.0004544300000000, 0.0007710200000000 ] - [ -0.0004014900000000, 0.0001247400000000, -0.0011162400000000 ] - [ -0.0001018800000000, 0.0002840300000000, -0.0008228800000000 ] - [ -0.0002118800000000, 0.0001893900000000, -0.0008515300000000 ] - [ -0.0001437200000000, 0.0000116000000000, -0.0001561200000000 ] - [ -0.0002706200000000, -0.0003219000000000, -0.0002616100000000 ] - [ -0.0001084900000000, -0.0003657700000000, -0.0002334400000000 ] - [ -0.0003149800000000, -0.0000105200000000, -0.0002614700000000 ] - [ 0.0000478000000000, -0.0000949900000000, -0.0003319100000000 ] - [ -0.0000015400000000, 0.0000060000000000, -0.0002795900000000 ] - [ 0.0015407200000000, 0.0027362900000000, -0.0025960800000000 ] - [ -0.0007968000000000, -0.0004255800000000, 0.0002460500000000 ] - [ 0.0000277200000000, 0.0003728000000000, 0.0007810400000000 ] - [ -0.0002058700000000, 0.0005899400000000, 0.0008842600000000 ] - [ 0.0000028400000000, 0.0005825300000000, 0.0008285800000000 ] - [ -0.0001395500000000, 0.0004795600000000, 0.0008072600000000 ] - [ 0.0000190300000000, -0.0001263100000000, -0.0002496000000000 ] - [ 0.0000066000000000, 0.0001621000000000, -0.0003481900000000 ] - [ 0.0001030700000000, 0.0001388700000000, -0.0003296500000000 ] - [ -0.0000559700000000, 0.0000103500000000, -0.0004039200000000 ] - [ -0.0025975100000000, 0.0017852100000000, 0.0011218700000000 ] - [ -0.0026193900000000, -0.0022713200000000, 0.0005592200000000 ] - [ -0.0000184500000000, -0.0000090700000000, 0.0003023700000000 ] - [ -0.0000475200000000, 0.0001280900000000, 0.0003414500000000 ] - [ 0.0004246000000000, 0.0007487000000000, -0.0020463600000000 ] - [ 0.0045117800000000, 0.0010753800000000, -0.0025943100000000 ] - [ 0.0004124100000000, -0.0000124800000000, -0.0006689100000000 ] - [ 0.0003653100000000, 0.0000586600000000, -0.0006715400000000 ] - [ -0.0003461800000000, -0.0000733100000000, 0.0006227500000000 ] - [ -0.0004400700000000, 0.0001037600000000, 0.0006717600000000 ] - [ 0.0000409600000000, 0.0006853700000000, 0.0012706200000000 ] - [ -0.0011477800000000, -0.0008677200000000, 0.0002132700000000 ]- atom: 49 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ 0.0010524500000000, -0.0000209800000000, 0.0004867000000000 ] - [ -0.0007830000000000, -0.0001990200000000, -0.0000344000000000 ] - [ 0.0000133400000000, -0.0001099500000000, 0.0001484100000000 ] - [ -0.0002152600000000, -0.0001033900000000, 0.0001525200000000 ] - [ 0.0002360300000000, 0.0001211500000000, -0.0001711600000000 ] - [ -0.0000137200000000, 0.0001392000000000, -0.0001523600000000 ] - [ 0.0023486000000000, 0.0003547000000000, -0.0027732100000000 ] - [ -0.0008432700000000, -0.0003204400000000, 0.0001381000000000 ] - [ 0.0016290800000000, 0.0015656500000000, -0.0012544000000000 ] - [ -0.0009337400000000, 0.0001390700000000, 0.0006496000000000 ] - [ 0.0003603500000000, -0.0000184100000000, 0.0000736700000000 ] - [ -0.0005053100000000, 0.0001781300000000, 0.0002648100000000 ] - [ 0.0004596600000000, -0.0001063400000000, -0.0001518600000000 ] - [ -0.0002322300000000, -0.0000796900000000, -0.0001102900000000 ] - [ 0.0012304200000000, -0.0001835600000000, -0.0000448000000000 ] - [ -0.0005623500000000, -0.0000948400000000, -0.0002400000000000 ] - [ 0.0004843600000000, -0.0000024800000000, -0.0004986800000000 ] - [ 0.0005273700000000, -0.0003820300000000, -0.0004617500000000 ] - [ -0.0013743100000000, -0.0037754500000000, 0.0007555700000000 ] - [ -0.0012514100000000, 0.0054203400000000, 0.0000327100000000 ] - [ 0.0005358700000000, 0.0003500600000000, -0.0004843400000000 ] - [ 0.0004688200000000, 0.0001223000000000, -0.0004368500000000 ] - [ 0.0006444900000000, -0.0000402400000000, -0.0002133700000000 ] - [ 0.0001031400000000, 0.0005280500000000, -0.0008930500000000 ] - [ -0.0032799600000000, -0.0005919100000000, 0.0008199800000000 ] - [ -0.0009159900000000, 0.0002100300000000, -0.0003824500000000 ] - [ -0.0005333000000000, -0.0000819500000000, 0.0004767600000000 ] - [ -0.0005176800000000, -0.0003653200000000, 0.0004363800000000 ] - [ -0.0009400000000000, -0.0045006600000000, -0.0032746000000000 ] - [ -0.0022968700000000, 0.0015343800000000, 0.0028654000000000 ] - [ -0.0005500000000000, 0.0004594700000000, 0.0004270200000000 ] - [ -0.0005869400000000, 0.0000618800000000, 0.0005457800000000 ] - [ 0.0000683000000000, 0.0005245300000000, -0.0004937000000000 ] - [ 0.0001186300000000, 0.0005586300000000, -0.0004624100000000 ] - [ -0.0006792400000000, 0.0013337500000000, -0.0038610100000000 ] - [ -0.0009848500000000, 0.0004294200000000, -0.0001338100000000 ] - [ -0.0034688800000000, 0.0013210500000000, -0.0018416200000000 ] - [ -0.0137788000000000, -0.0127718900000000, 0.0260623500000000 ] - [ -0.0001320100000000, -0.0005306600000000, 0.0004695900000000 ] - [ -0.0000696800000000, -0.0004918600000000, 0.0005057900000000 ] - [ -0.0002136900000000, 0.0008023300000000, 0.0008040600000000 ] - [ -0.0001455100000000, 0.0002952700000000, 0.0001545600000000 ] - [ -0.0001394800000000, 0.0004084200000000, 0.0004662100000000 ] - [ -0.0000767300000000, 0.0006828500000000, 0.0004567300000000 ] - [ -0.0001067800000000, -0.0009424200000000, -0.0005919800000000 ] - [ 0.0001556200000000, -0.0002550500000000, -0.0004962200000000 ] - [ -0.0000201200000000, -0.0001754400000000, -0.0000615200000000 ] - [ 0.0001294900000000, -0.0009035500000000, -0.0009880000000000 ] - [ 0.0913280800000000, 0.0571702400000000, -0.1180171500000000 ] - [ -0.0005333300000000, -0.0007531400000000, -0.0002658900000000 ] - [ 0.0000071900000000, -0.0007174700000000, -0.0003262300000000 ] - [ -0.0000334500000000, -0.0007114800000000, -0.0003393500000000 ] - [ 0.0000838900000000, -0.0006965000000000, 0.0003401800000000 ] - [ -0.0000484100000000, -0.0006994500000000, 0.0003056300000000 ] - [ 0.0000838300000000, -0.0007143600000000, 0.0003145100000000 ] - [ -0.0000480000000000, -0.0007166400000000, 0.0003317300000000 ] - [ 0.0000328900000000, 0.0007195900000000, 0.0003453200000000 ] - [ -0.0000051100000000, 0.0007256500000000, 0.0003258200000000 ] - [ -0.0014148200000000, 0.0002241300000000, 0.0021390000000000 ] - [ -0.0005169600000000, 0.0008436100000000, -0.0000225500000000 ] - [ 0.0000427400000000, 0.0006932100000000, -0.0002951800000000 ] - [ -0.0000459100000000, 0.0007432600000000, -0.0003637800000000 ] - [ 0.0000355600000000, 0.0007488000000000, -0.0003260200000000 ] - [ -0.0000606800000000, 0.0006931900000000, -0.0003598700000000 ] - [ 0.0000240800000000, 0.0005069400000000, -0.0008488300000000 ] - [ 0.0001060600000000, 0.0005069100000000, -0.0008201500000000 ] - [ 0.0005006500000000, 0.0005474700000000, -0.0011540600000000 ] - [ 0.0005905900000000, 0.0004334900000000, -0.0003717200000000 ] - [ 0.0000976800000000, -0.0002834600000000, 0.0008257600000000 ] - [ 0.0002232300000000, -0.0001972200000000, 0.0008396300000000 ] - [ -0.0001112800000000, -0.0002750700000000, 0.0008162300000000 ] - [ 0.0005047700000000, -0.0001448800000000, 0.0010027400000000 ] - [ -0.0001393700000000, -0.0001496200000000, 0.0004503100000000 ] - [ 0.0002682100000000, -0.0000836800000000, 0.0005658200000000 ] - [ -0.0000411400000000, 0.0000169100000000, 0.0003294900000000 ] - [ 0.0000046000000000, -0.0001410100000000, 0.0003241100000000 ] - [ -0.0002097500000000, 0.0001259200000000, -0.0001878900000000 ] - [ -0.0001759200000000, 0.0002161700000000, -0.0002360600000000 ] - [ 0.0032421100000000, 0.0021085400000000, 0.0006902500000000 ] - [ 0.0027175200000000, -0.0008860200000000, -0.0020211400000000 ] - [ -0.0000413000000000, -0.0006093500000000, -0.0008182500000000 ] - [ 0.0002460900000000, -0.0004952900000000, -0.0008099100000000 ] - [ -0.0001148300000000, -0.0003616300000000, -0.0006604900000000 ] - [ 0.0002420600000000, -0.0006411200000000, -0.0009398400000000 ] - [ 0.0003500200000000, -0.0004187000000000, -0.0013509800000000 ] - [ 0.0005719800000000, 0.0003546700000000, -0.0001535200000000 ] - [ 0.0003538100000000, 0.0000209300000000, -0.0006933500000000 ] - [ 0.0004286700000000, -0.0000992800000000, -0.0006475700000000 ] - [ -0.0000078300000000, 0.0000225000000000, 0.0008546000000000 ] - [ 0.0003047300000000, 0.0004058700000000, 0.0008394400000000 ] - [ -0.0001655600000000, 0.0013032100000000, 0.0004827900000000 ] - [ 0.0007113500000000, -0.0004672900000000, 0.0009433600000000 ] - [ 0.0005392000000000, 0.0009905300000000, -0.0000216500000000 ] - [ 0.0003348600000000, -0.0001551800000000, 0.0002729000000000 ] - [ 0.0001307700000000, -0.0000624400000000, 0.0001287900000000 ] - [ 0.0002618100000000, 0.0004356800000000, 0.0003228400000000 ] - [ -0.0740221000000000, -0.0463279000000000, 0.0956992400000000 ] - [ 0.0015652300000000, -0.0007530500000000, 0.0011304800000000 ] - [ -0.0001100500000000, -0.0005204400000000, 0.0008172100000000 ] - [ -0.0000143100000000, -0.0005211400000000, 0.0008369400000000 ] - [ -0.0011495000000000, 0.0004568000000000, -0.0007679100000000 ] - [ 0.0007850700000000, -0.0008615600000000, -0.0010982500000000 ] - [ -0.0003475200000000, -0.0004745400000000, -0.0008634400000000 ] - [ 0.0000316000000000, -0.0001627400000000, -0.0008640300000000 ] - [ -0.0015177500000000, 0.0002880600000000, 0.0028496800000000 ] - [ 0.0009319700000000, -0.0001581700000000, -0.0002899200000000 ] - [ 0.0001824700000000, -0.0002484400000000, 0.0002390100000000 ] - [ 0.0002175100000000, -0.0001761100000000, 0.0001964800000000 ] - [ -0.0004075700000000, -0.0000009400000000, 0.0006550400000000 ] - [ -0.0003723000000000, -0.0000592100000000, 0.0006725000000000 ] - [ -0.0005369700000000, -0.0003600000000000, 0.0015215900000000 ] - [ -0.0000170800000000, 0.0001911300000000, 0.0002583600000000 ] - [ -0.0001260500000000, 0.0000132500000000, -0.0024436300000000 ] - [ 0.0000895400000000, 0.0003411600000000, -0.0005413500000000 ] - [ -0.0002154300000000, 0.0001818200000000, -0.0008409200000000 ] - [ -0.0001054300000000, 0.0002778100000000, -0.0008125700000000 ] - [ -0.0002495100000000, -0.0003824000000000, -0.0002733800000000 ] - [ -0.0001194700000000, -0.0000439300000000, -0.0001678900000000 ] - [ -0.0002851100000000, -0.0000013900000000, -0.0001954500000000 ] - [ -0.0000745100000000, -0.0003610900000000, -0.0001676800000000 ] - [ -0.0000033400000000, -0.0000164700000000, -0.0002871000000000 ] - [ 0.0000448900000000, -0.0001207600000000, -0.0003400600000000 ] - [ -0.0014337900000000, -0.0028889400000000, 0.0020017100000000 ] - [ 0.0008455600000000, 0.0003171500000000, -0.0008766500000000 ] - [ -0.0001553800000000, 0.0006609200000000, 0.0008832200000000 ] - [ 0.0000795400000000, 0.0004406900000000, 0.0007789400000000 ] - [ -0.0001304300000000, 0.0004477100000000, 0.0008356500000000 ] - [ 0.0000120700000000, 0.0005522400000000, 0.0008559600000000 ] - [ 0.0000258200000000, 0.0002426000000000, -0.0003708000000000 ] - [ 0.0000363700000000, -0.0000500800000000, -0.0002700100000000 ] - [ -0.0000584100000000, -0.0000274200000000, -0.0002896500000000 ] - [ 0.0000981400000000, 0.0001037700000000, -0.0002116000000000 ] - [ 0.0025770900000000, -0.0016998900000000, -0.0005194400000000 ] - [ 0.0025744600000000, 0.0023590500000000, 0.0000468100000000 ] - [ -0.0000253900000000, 0.0001233000000000, 0.0003169000000000 ] - [ 0.0000042800000000, -0.0000150700000000, 0.0002772700000000 ] - [ 0.0003654900000000, -0.0007139900000000, 0.0007343500000000 ] - [ -0.0036277500000000, -0.0010133800000000, 0.0012293500000000 ] - [ 0.0003697100000000, 0.0000590700000000, -0.0006649800000000 ] - [ 0.0004174100000000, -0.0000130000000000, -0.0006623900000000 ] - [ -0.0004358500000000, 0.0001223200000000, 0.0007127700000000 ] - [ -0.0003434300000000, -0.0000589800000000, 0.0006629100000000 ] - [ -0.0008126200000000, -0.0006487600000000, 0.0000539200000000 ] - [ 0.0003725400000000, 0.0009306100000000, 0.0011281200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005889800000000, -0.0010997300000000, 0.0006352000000000 ] - [ -0.0000516100000000, -0.0008833600000000, 0.0001919200000000 ] - [ -0.0000383800000000, 0.0003934400000000, 0.0001285800000000 ] - [ -0.0001423000000000, 0.0003454400000000, 0.0001320200000000 ] - [ 0.0001313700000000, 0.0006479000000000, -0.0002218600000000 ] - [ 0.0001085100000000, 0.0005865900000000, -0.0001889300000000 ] - [ 0.0000396700000000, -0.0018956000000000, 0.0026768200000000 ] - [ 0.0000182700000000, -0.0006062100000000, 0.0000662000000000 ] - [ -0.0015706000000000, 0.0045962500000000, -0.0030844600000000 ] - [ 0.0002940600000000, 0.0003998500000000, -0.0003002100000000 ] - [ 0.0002377900000000, 0.0010075600000000, 0.0004770300000000 ] - [ -0.0004095900000000, 0.0007195300000000, 0.0004050600000000 ] - [ -0.0004196600000000, 0.0009006100000000, 0.0004889900000000 ] - [ 0.0002527300000000, 0.0003257700000000, 0.0000353600000000 ] - [ 0.0016448400000000, 0.0012350000000000, -0.0017127400000000 ] - [ -0.0004917400000000, -0.0000712400000000, -0.0006422100000000 ] - [ 0.0002403100000000, 0.0007083500000000, -0.0006283900000000 ] - [ 0.0007408300000000, 0.0009901600000000, -0.0007647000000000 ] - [ 0.0018375800000000, -0.0003107700000000, -0.0005466800000000 ] - [ -0.0080900400000000, 0.0042704500000000, 0.0049271700000000 ] - [ 0.0004872300000000, 0.0008205300000000, -0.0004538600000000 ] - [ 0.0005599700000000, 0.0008769700000000, -0.0003759700000000 ] - [ 0.0004949600000000, -0.0003652500000000, -0.0005840700000000 ] - [ -0.0000182100000000, -0.0003093800000000, -0.0010610400000000 ] - [ -0.0004102600000000, 0.0004449500000000, 0.0002149600000000 ] - [ -0.0008968300000000, -0.0006001900000000, 0.0001432900000000 ] - [ -0.0006215900000000, 0.0005943300000000, 0.0005397500000000 ] - [ -0.0004907800000000, 0.0003063500000000, 0.0004967200000000 ] - [ 0.0051204800000000, 0.0034857100000000, 0.0068480200000000 ] - [ -0.0016716700000000, -0.0000570300000000, 0.0018664600000000 ] - [ -0.0008766200000000, 0.0015503900000000, 0.0001986000000000 ] - [ -0.0004374400000000, 0.0010087900000000, 0.0003890000000000 ] - [ 0.0001204900000000, 0.0012994600000000, -0.0003322000000000 ] - [ 0.0000390300000000, 0.0010692200000000, -0.0004187200000000 ] - [ -0.0015200400000000, -0.0083900800000000, -0.0072679800000000 ] - [ 0.0004642700000000, -0.0004226200000000, -0.0005858100000000 ] - [ -0.0008891100000000, -0.0037772600000000, -0.0005646700000000 ] - [ 0.0049461500000000, -0.0013847000000000, -0.0007245600000000 ] - [ -0.0001176000000000, 0.0000787400000000, 0.0005424600000000 ] - [ -0.0001206100000000, 0.0001778100000000, 0.0005567300000000 ] - [ -0.0002059100000000, 0.0006708200000000, 0.0008350500000000 ] - [ 0.0000571300000000, 0.0008566400000000, 0.0010825600000000 ] - [ -0.0000674300000000, 0.0006792300000000, 0.0003458700000000 ] - [ -0.0002210700000000, 0.0007843900000000, 0.0003102300000000 ] - [ 0.0000708900000000, -0.0004830600000000, -0.0008060700000000 ] - [ -0.0000671100000000, -0.0003466000000000, -0.0005961100000000 ] - [ -0.0003299800000000, -0.0000253600000000, 0.0012298200000000 ] - [ 0.0002176300000000, -0.0004470900000000, -0.0001790600000000 ] - [ -0.0585131500000000, -0.0791428000000000, 0.1413014800000000 ] - [ 0.0000205800000000, -0.0010673300000000, -0.0003532200000000 ] - [ -0.0000147800000000, -0.0005283800000000, -0.0003577000000000 ] - [ -0.0000206200000000, -0.0005806600000000, -0.0003524000000000 ] - [ 0.0000180300000000, -0.0006988500000000, 0.0003066900000000 ] - [ 0.0000149000000000, -0.0006750200000000, 0.0003382300000000 ] - [ 0.0000349000000000, -0.0006974800000000, 0.0003657000000000 ] - [ 0.0000329500000000, -0.0006741700000000, 0.0003527200000000 ] - [ 0.0000123900000000, 0.0008780000000000, 0.0003177100000000 ] - [ 0.0000066600000000, 0.0008802300000000, 0.0003149100000000 ] - [ 0.0005145300000000, -0.0006981600000000, 0.0001138700000000 ] - [ -0.0001126400000000, -0.0000124400000000, 0.0005065100000000 ] - [ -0.0000385500000000, 0.0007843800000000, -0.0002861800000000 ] - [ 0.0000108800000000, 0.0007461400000000, -0.0003277100000000 ] - [ 0.0000162500000000, 0.0007378800000000, -0.0003323600000000 ] - [ -0.0000384700000000, 0.0007302300000000, -0.0003411400000000 ] - [ 0.0001042100000000, 0.0001796900000000, -0.0008698800000000 ] - [ 0.0000372500000000, 0.0001854500000000, -0.0008722900000000 ] - [ -0.0004037400000000, 0.0013921900000000, -0.0006373100000000 ] - [ 0.0010732300000000, 0.0024745400000000, 0.0000290100000000 ] - [ 0.0000680100000000, -0.0005787000000000, 0.0008275500000000 ] - [ 0.0000601300000000, -0.0005956500000000, 0.0008074700000000 ] - [ 0.0002630300000000, 0.0002560200000000, 0.0008286800000000 ] - [ 0.0003904400000000, 0.0003053600000000, 0.0010108100000000 ] - [ 0.0000669700000000, 0.0000645400000000, 0.0002174000000000 ] - [ -0.0001509000000000, 0.0000486000000000, 0.0001728000000000 ] - [ -0.0000233600000000, -0.0002842000000000, 0.0003842800000000 ] - [ 0.0000712900000000, -0.0003630900000000, 0.0003742100000000 ] - [ -0.0001525200000000, -0.0004617500000000, -0.0001060100000000 ] - [ -0.0002024800000000, -0.0005219700000000, -0.0000988400000000 ] - [ -0.0018492500000000, 0.0018344800000000, -0.0007055500000000 ] - [ 0.0005338500000000, 0.0032401800000000, -0.0021978100000000 ] - [ 0.0002263000000000, -0.0007404600000000, -0.0006461900000000 ] - [ 0.0000719300000000, -0.0006589200000000, -0.0007429300000000 ] - [ -0.0000594400000000, -0.0004941500000000, -0.0010200800000000 ] - [ 0.0003776300000000, -0.0006036700000000, -0.0011900600000000 ] - [ 0.0006833900000000, -0.0000336100000000, -0.0011282500000000 ] - [ -0.0001114900000000, -0.0001294600000000, -0.0015069400000000 ] - [ 0.0002625300000000, -0.0003194800000000, -0.0005834000000000 ] - [ 0.0004852800000000, -0.0003433500000000, -0.0005343500000000 ] - [ 0.0006591400000000, -0.0004583600000000, 0.0008416200000000 ] - [ -0.0000250900000000, -0.0003234500000000, 0.0009370700000000 ] - [ -0.0006703600000000, -0.0001200300000000, 0.0006938800000000 ] - [ 0.0019143000000000, -0.0007875600000000, 0.0002170700000000 ] - [ 0.0001350200000000, 0.0005177200000000, 0.0001341200000000 ] - [ 0.0001977300000000, 0.0002055800000000, 0.0003349200000000 ] - [ 0.0002495900000000, -0.0005465600000000, -0.0002191500000000 ] - [ 0.0002457200000000, -0.0000620500000000, 0.0000848300000000 ] - [ 0.0554539400000000, 0.0763466000000000, -0.1410159500000000 ] - [ -0.0000143500000000, 0.0004549600000000, 0.0011231000000000 ] - [ -0.0000636900000000, -0.0008887800000000, 0.0007944700000000 ] - [ -0.0000461800000000, -0.0008068500000000, 0.0008098600000000 ] - [ -0.0006516800000000, -0.0029621800000000, -0.0024190000000000 ] - [ 0.0000197800000000, -0.0004245900000000, -0.0010706100000000 ] - [ -0.0000401400000000, -0.0013470500000000, -0.0008003100000000 ] - [ -0.0000374400000000, -0.0005805500000000, -0.0007370100000000 ] - [ -0.0015677100000000, 0.0044426800000000, -0.0039220100000000 ] - [ 0.0003293300000000, 0.0008305900000000, -0.0002021800000000 ] - [ 0.0002401500000000, -0.0010209600000000, 0.0003495300000000 ] - [ 0.0002109200000000, -0.0007421900000000, 0.0002901300000000 ] - [ -0.0004319000000000, -0.0004036300000000, 0.0006723300000000 ] - [ -0.0003781300000000, -0.0003033500000000, 0.0007072900000000 ] - [ -0.0003324200000000, 0.0014631500000000, 0.0023702200000000 ] - [ -0.0004104700000000, 0.0003022300000000, 0.0007096500000000 ] - [ 0.0001667100000000, 0.0004440300000000, 0.0003544600000000 ] - [ 0.0000752400000000, 0.0006591200000000, -0.0007409700000000 ] - [ -0.0002813300000000, -0.0001991900000000, -0.0008578500000000 ] - [ -0.0002340300000000, -0.0000774000000000, -0.0008359900000000 ] - [ -0.0000657400000000, -0.0004732500000000, -0.0003956200000000 ] - [ -0.0002283800000000, -0.0005987600000000, -0.0003947600000000 ] - [ -0.0004030200000000, -0.0000663200000000, 0.0000049500000000 ] - [ -0.0001221600000000, -0.0001797000000000, -0.0000470000000000 ] - [ -0.0000804300000000, -0.0007482500000000, -0.0004489500000000 ] - [ 0.0000622500000000, -0.0004749000000000, -0.0004350600000000 ] - [ 0.0057998900000000, -0.0034041500000000, 0.0051134200000000 ] - [ -0.0001431600000000, 0.0004232000000000, 0.0000307200000000 ] - [ -0.0000549500000000, 0.0003933400000000, 0.0005120000000000 ] - [ -0.0000130900000000, 0.0005170200000000, 0.0007247200000000 ] - [ -0.0000077300000000, 0.0003106600000000, 0.0009741700000000 ] - [ -0.0000431700000000, 0.0004128300000000, 0.0008979300000000 ] - [ 0.0000431800000000, -0.0001535400000000, -0.0002452000000000 ] - [ 0.0000928100000000, -0.0001916200000000, -0.0002184300000000 ] - [ 0.0000300000000000, 0.0003624200000000, -0.0007039900000000 ] - [ 0.0000061700000000, 0.0002605800000000, -0.0004493300000000 ] - [ 0.0024915600000000, 0.0005302200000000, 0.0000878300000000 ] - [ -0.0031440100000000, -0.0004025700000000, 0.0002805100000000 ] - [ -0.0001053700000000, -0.0003948900000000, 0.0002146600000000 ] - [ 0.0000334900000000, -0.0004936800000000, 0.0001567300000000 ] - [ 0.0009032100000000, 0.0006136300000000, -0.0002562300000000 ] - [ -0.0005909000000000, -0.0016887500000000, -0.0003162300000000 ] - [ 0.0003562100000000, -0.0002833500000000, -0.0006298300000000 ] - [ 0.0004196800000000, -0.0003426400000000, -0.0006024800000000 ] - [ -0.0005170800000000, -0.0003471000000000, 0.0008981300000000 ] - [ -0.0003474000000000, -0.0002220700000000, 0.0007471000000000 ] - [ 0.0003457500000000, -0.0011629400000000, -0.0016039800000000 ] - [ -0.0005554300000000, 0.0000027600000000, 0.0003977300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003869500000000, 0.0008595000000000, -0.0003206900000000 ] - [ -0.0001553900000000, 0.0006438000000000, 0.0001277200000000 ] - [ -0.0001703300000000, -0.0006409000000000, 0.0001869200000000 ] - [ -0.0000639900000000, -0.0005928200000000, 0.0001826800000000 ] - [ 0.0000759200000000, -0.0004074200000000, -0.0000928100000000 ] - [ 0.0000988900000000, -0.0003466600000000, -0.0001261600000000 ] - [ 0.0001776800000000, 0.0021945100000000, -0.0029470100000000 ] - [ 0.0001853400000000, 0.0008641800000000, -0.0003750600000000 ] - [ 0.0013288500000000, -0.0043072800000000, 0.0033500100000000 ] - [ -0.0005064700000000, -0.0001666700000000, 0.0006073600000000 ] - [ -0.0004512000000000, -0.0007683600000000, -0.0001689700000000 ] - [ 0.0002078600000000, -0.0004782000000000, -0.0000962200000000 ] - [ 0.0006208700000000, -0.0011412500000000, -0.0007942700000000 ] - [ -0.0000452900000000, -0.0005739700000000, -0.0003480900000000 ] - [ -0.0014687900000000, -0.0014964800000000, 0.0014198800000000 ] - [ 0.0007103000000000, -0.0001711100000000, 0.0003348900000000 ] - [ 0.0008051500000000, -0.0011583200000000, -0.0003196400000000 ] - [ 0.0003131200000000, -0.0014395600000000, -0.0001857900000000 ] - [ -0.0007898200000000, -0.0001049800000000, -0.0004108700000000 ] - [ 0.0092747300000000, -0.0047383400000000, -0.0059984900000000 ] - [ 0.0005616600000000, -0.0003786300000000, -0.0004902400000000 ] - [ 0.0004900700000000, -0.0004376700000000, -0.0005658600000000 ] - [ 0.0005562100000000, 0.0008242300000000, -0.0003583600000000 ] - [ 0.0010791900000000, 0.0007656800000000, 0.0001339800000000 ] - [ -0.0006577100000000, -0.0009283500000000, 0.0008020800000000 ] - [ -0.0001499200000000, 0.0001483400000000, 0.0008083400000000 ] - [ -0.0004274100000000, -0.0010460000000000, 0.0004054000000000 ] - [ -0.0005598300000000, -0.0007531000000000, 0.0004481700000000 ] - [ -0.0061127800000000, -0.0030848400000000, -0.0058421300000000 ] - [ 0.0006242200000000, 0.0005010200000000, -0.0009263600000000 ] - [ -0.0001672300000000, -0.0011165000000000, 0.0007500500000000 ] - [ -0.0006130600000000, -0.0005652000000000, 0.0005568100000000 ] - [ 0.0000750300000000, -0.0002593800000000, -0.0006332400000000 ] - [ 0.0001541600000000, -0.0000286800000000, -0.0005481600000000 ] - [ 0.0017226600000000, 0.0095894000000000, 0.0063723300000000 ] - [ -0.0002634400000000, 0.0014689200000000, -0.0003816100000000 ] - [ 0.0007179300000000, 0.0027235600000000, 0.0015325700000000 ] - [ -0.0053365700000000, 0.0003138900000000, 0.0017172900000000 ] - [ -0.0000767000000000, -0.0011249700000000, 0.0004238200000000 ] - [ -0.0000731800000000, -0.0012262900000000, 0.0004089300000000 ] - [ 0.0000118700000000, 0.0003679300000000, 0.0001354200000000 ] - [ -0.0002499500000000, 0.0001789500000000, -0.0001083300000000 ] - [ -0.0001267100000000, 0.0003662700000000, 0.0006242900000000 ] - [ 0.0000286000000000, 0.0002576800000000, 0.0006609900000000 ] - [ 0.0001223000000000, -0.0005771900000000, -0.0001669300000000 ] - [ 0.0002591700000000, -0.0007038900000000, -0.0003723900000000 ] - [ 0.0005295600000000, -0.0010209200000000, -0.0022145300000000 ] - [ -0.0000244100000000, -0.0005917800000000, -0.0007881500000000 ] - [ 0.0574359900000000, 0.0795027000000000, -0.1390230500000000 ] - [ -0.0000471000000000, -0.0003697100000000, -0.0003180800000000 ] - [ -0.0000116600000000, -0.0009104200000000, -0.0003121600000000 ] - [ -0.0000056200000000, -0.0008578500000000, -0.0003172500000000 ] - [ 0.0000089700000000, -0.0007404600000000, 0.0003634100000000 ] - [ 0.0000106200000000, -0.0007646700000000, 0.0003325000000000 ] - [ -0.0000094100000000, -0.0007390800000000, 0.0003051200000000 ] - [ -0.0000066900000000, -0.0007635200000000, 0.0003171500000000 ] - [ 0.0000136500000000, 0.0005590300000000, 0.0003520000000000 ] - [ 0.0000198700000000, 0.0005567000000000, 0.0003543200000000 ] - [ -0.0004694700000000, 0.0021483700000000, 0.0005406700000000 ] - [ 0.0001389700000000, 0.0014563000000000, 0.0001574900000000 ] - [ 0.0000123700000000, 0.0006519500000000, -0.0003819800000000 ] - [ -0.0000374800000000, 0.0006903800000000, -0.0003416800000000 ] - [ -0.0000429100000000, 0.0007001700000000, -0.0003372500000000 ] - [ 0.0000127300000000, 0.0007083000000000, -0.0003282100000000 ] - [ 0.0000237600000000, 0.0008526200000000, -0.0007952200000000 ] - [ 0.0000882000000000, 0.0008477500000000, -0.0007915100000000 ] - [ 0.0005283800000000, -0.0003655000000000, -0.0010295700000000 ] - [ -0.0009684500000000, -0.0014691600000000, -0.0017068800000000 ] - [ 0.0002501500000000, 0.0001129400000000, 0.0008349900000000 ] - [ 0.0002570300000000, 0.0001312500000000, 0.0008538600000000 ] - [ 0.0000496800000000, -0.0007289900000000, 0.0008291300000000 ] - [ -0.0000784300000000, -0.0007813400000000, 0.0006433500000000 ] - [ -0.0001083800000000, -0.0001711200000000, 0.0003969800000000 ] - [ 0.0001110300000000, -0.0001515700000000, 0.0004340000000000 ] - [ -0.0000184500000000, 0.0001730800000000, 0.0002332700000000 ] - [ -0.0001135000000000, 0.0002537500000000, 0.0002427800000000 ] - [ -0.0002379500000000, 0.0008322200000000, -0.0003228700000000 ] - [ -0.0001901400000000, 0.0008942500000000, -0.0003295300000000 ] - [ 0.0014293400000000, -0.0014956600000000, 0.0002805200000000 ] - [ -0.0009097000000000, -0.0029228500000000, 0.0017696600000000 ] - [ -0.0000972300000000, -0.0002900500000000, -0.0010165500000000 ] - [ 0.0000552200000000, -0.0003673600000000, -0.0009219700000000 ] - [ 0.0001875500000000, -0.0005425300000000, -0.0006446300000000 ] - [ -0.0002552500000000, -0.0004294300000000, -0.0004699400000000 ] - [ 0.0001012900000000, -0.0000104500000000, -0.0002073000000000 ] - [ 0.0008942800000000, 0.0000922600000000, 0.0001684900000000 ] - [ 0.0005237800000000, 0.0002729800000000, -0.0007533700000000 ] - [ 0.0002974600000000, 0.0002974900000000, -0.0008034800000000 ] - [ -0.0003363600000000, 0.0009242900000000, 0.0008211500000000 ] - [ 0.0003361200000000, 0.0007951200000000, 0.0007281400000000 ] - [ 0.0010013600000000, 0.0005827200000000, 0.0009744600000000 ] - [ -0.0016261600000000, 0.0012679000000000, 0.0014623000000000 ] - [ 0.0002548600000000, -0.0001203600000000, 0.0002929000000000 ] - [ 0.0001945000000000, 0.0001704400000000, 0.0000940300000000 ] - [ 0.0001427300000000, 0.0009197800000000, 0.0006524000000000 ] - [ 0.0001458700000000, 0.0004288800000000, 0.0003448600000000 ] - [ -0.0544490400000000, -0.0793261400000000, 0.1398216800000000 ] - [ -0.0001126800000000, -0.0014866400000000, 0.0005437900000000 ] - [ -0.0000626500000000, -0.0001414100000000, 0.0008703000000000 ] - [ -0.0000808900000000, -0.0002239000000000, 0.0008550600000000 ] - [ 0.0003219100000000, 0.0024713200000000, 0.0007293100000000 ] - [ -0.0003374000000000, -0.0000392100000000, -0.0005886100000000 ] - [ -0.0002763600000000, 0.0008929400000000, -0.0008612100000000 ] - [ -0.0002825600000000, 0.0001151600000000, -0.0009259600000000 ] - [ 0.0019902200000000, -0.0048050300000000, 0.0043960100000000 ] - [ 0.0000602400000000, -0.0012009200000000, 0.0006325200000000 ] - [ 0.0001519800000000, 0.0006563700000000, 0.0000772200000000 ] - [ 0.0001808100000000, 0.0003743000000000, 0.0001387700000000 ] - [ -0.0003523400000000, 0.0003586300000000, 0.0006587000000000 ] - [ -0.0004059400000000, 0.0002578200000000, 0.0006255600000000 ] - [ -0.0004510800000000, -0.0015264100000000, -0.0010763000000000 ] - [ -0.0003781800000000, -0.0003523000000000, 0.0006238300000000 ] - [ -0.0004857100000000, 0.0000174400000000, -0.0020550900000000 ] - [ -0.0003913800000000, -0.0001920500000000, -0.0009259300000000 ] - [ -0.0000338600000000, 0.0006690300000000, -0.0008042500000000 ] - [ -0.0000833200000000, 0.0005453400000000, -0.0008275200000000 ] - [ -0.0003245100000000, 0.0001076200000000, -0.0000354200000000 ] - [ -0.0001626700000000, 0.0002349300000000, -0.0000362900000000 ] - [ 0.0000141800000000, -0.0003081500000000, -0.0004388100000000 ] - [ -0.0002714000000000, -0.0001910600000000, -0.0003875000000000 ] - [ 0.0001198000000000, 0.0006360400000000, -0.0001687600000000 ] - [ -0.0000202100000000, 0.0003645400000000, -0.0001831900000000 ] - [ -0.0058844500000000, 0.0033498600000000, -0.0058301800000000 ] - [ 0.0001793500000000, -0.0005406100000000, -0.0006460100000000 ] - [ -0.0000729100000000, 0.0006429800000000, 0.0011460900000000 ] - [ -0.0001142400000000, 0.0005172900000000, 0.0009390000000000 ] - [ -0.0001189300000000, 0.0007234400000000, 0.0006888300000000 ] - [ -0.0000850300000000, 0.0006190700000000, 0.0007651100000000 ] - [ -0.0000016500000000, 0.0002710300000000, -0.0003756900000000 ] - [ -0.0000516100000000, 0.0003050700000000, -0.0004008600000000 ] - [ 0.0000136300000000, -0.0002571100000000, 0.0000863200000000 ] - [ 0.0000345400000000, -0.0001538000000000, -0.0001690800000000 ] - [ -0.0025291700000000, -0.0004050900000000, 0.0005338200000000 ] - [ 0.0031021400000000, 0.0005414200000000, 0.0003506700000000 ] - [ 0.0000651700000000, 0.0005079300000000, 0.0004044300000000 ] - [ -0.0000763800000000, 0.0006086200000000, 0.0004634300000000 ] - [ -0.0001267000000000, -0.0005599600000000, -0.0010807400000000 ] - [ 0.0014842700000000, 0.0017547100000000, -0.0010784300000000 ] - [ 0.0004287000000000, 0.0003307300000000, -0.0007029300000000 ] - [ 0.0003623400000000, 0.0003910900000000, -0.0007307400000000 ] - [ -0.0002686500000000, 0.0003976500000000, 0.0004430500000000 ] - [ -0.0004349500000000, 0.0002722100000000, 0.0005900400000000 ] - [ -0.0011349200000000, 0.0012152400000000, 0.0029710200000000 ] - [ -0.0002310000000000, 0.0000362800000000, 0.0009378700000000 ]- atom: 49 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ -0.0018001200000000, 0.0000779300000000, 0.0027913200000000 ] - [ 0.0005656500000000, 0.0000456100000000, 0.0008698400000000 ] - [ -0.0001548300000000, -0.0001966800000000, 0.0002373700000000 ] - [ -0.0000611300000000, -0.0001792300000000, 0.0002124100000000 ] - [ 0.0000882400000000, 0.0000082800000000, -0.0001219700000000 ] - [ 0.0001172500000000, 0.0000338300000000, -0.0001297200000000 ] - [ 0.0019944900000000, 0.0021498000000000, 0.0071186000000000 ] - [ -0.0001966800000000, 0.0003957800000000, 0.0006254900000000 ] - [ 0.0010798000000000, -0.0027888700000000, -0.0007010800000000 ] - [ -0.0003451100000000, -0.0003230000000000, -0.0000509000000000 ] - [ -0.0001066700000000, 0.0003639900000000, -0.0001642400000000 ] - [ 0.0000015400000000, 0.0001530100000000, -0.0000674000000000 ] - [ -0.0001476000000000, 0.0002148600000000, -0.0002206300000000 ] - [ 0.0003148800000000, 0.0000572600000000, -0.0003260600000000 ] - [ -0.0009466600000000, -0.0013859900000000, 0.0001422400000000 ] - [ 0.0005860000000000, -0.0004699300000000, -0.0001987300000000 ] - [ 0.0006281600000000, -0.0004192200000000, -0.0005479100000000 ] - [ 0.0005368300000000, -0.0002754600000000, -0.0007984100000000 ] - [ 0.0010943800000000, 0.0014375000000000, -0.0018409500000000 ] - [ 0.0021547300000000, 0.0019791300000000, -0.0080768500000000 ] - [ 0.0004808300000000, 0.0002303900000000, -0.0003083500000000 ] - [ 0.0004172900000000, 0.0003615300000000, -0.0001919400000000 ] - [ 0.0005911400000000, 0.0003806600000000, 0.0002037100000000 ] - [ 0.0012547500000000, -0.0004102000000000, 0.0016547300000000 ] - [ -0.0006801900000000, -0.0004514600000000, 0.0034290000000000 ] - [ -0.0001026300000000, -0.0006635600000000, 0.0016384800000000 ] - [ -0.0006575300000000, -0.0000895800000000, 0.0006416600000000 ] - [ -0.0005477500000000, -0.0001381500000000, 0.0005802300000000 ] - [ 0.0053543900000000, 0.0084051200000000, -0.0041728100000000 ] - [ -0.0007347900000000, 0.0003758800000000, -0.0003303900000000 ] - [ -0.0003451900000000, -0.0001217000000000, 0.0004597600000000 ] - [ -0.0005174900000000, 0.0001482600000000, 0.0003758500000000 ] - [ 0.0001199800000000, 0.0004514000000000, -0.0005022000000000 ] - [ 0.0000901000000000, 0.0004550200000000, -0.0005239100000000 ] - [ 0.0049321700000000, -0.0053352600000000, 0.0042164300000000 ] - [ -0.0010131900000000, 0.0004243000000000, -0.0008935100000000 ] - [ 0.0015425400000000, -0.0017866200000000, -0.0002420300000000 ] - [ -0.0100100500000000, -0.0012002600000000, 0.0008198900000000 ] - [ -0.0000745900000000, -0.0005871200000000, 0.0004270900000000 ] - [ -0.0001024900000000, -0.0006155900000000, 0.0003793900000000 ] - [ -0.0001143900000000, 0.0005577100000000, 0.0008410500000000 ] - [ 0.0000563200000000, 0.0010050100000000, 0.0015979500000000 ] - [ -0.0001116900000000, 0.0004052500000000, 0.0005863600000000 ] - [ -0.0000798900000000, 0.0001967500000000, 0.0006423600000000 ] - [ -0.0000748000000000, -0.0012481500000000, -0.0004324000000000 ] - [ 0.0001862000000000, -0.0007670200000000, -0.0004418500000000 ] - [ -0.0000631500000000, -0.0001617700000000, 0.0004931900000000 ] - [ 0.0002614800000000, -0.0003629000000000, -0.0002209400000000 ] - [ 0.1138244500000000, 0.1340902800000000, -0.3042322900000000 ] - [ -0.0000834700000000, -0.0007353000000000, -0.0005711600000000 ] - [ -0.0000213200000000, -0.0007421400000000, -0.0003631000000000 ] - [ -0.0000082200000000, -0.0007369400000000, -0.0003449000000000 ] - [ 0.0000335500000000, -0.0007491600000000, 0.0004404200000000 ] - [ 0.0000151700000000, -0.0007368200000000, 0.0004491400000000 ] - [ 0.0000075700000000, -0.0006904400000000, 0.0004395100000000 ] - [ 0.0000416000000000, -0.0007218300000000, 0.0004484400000000 ] - [ 0.0000023200000000, 0.0007011900000000, 0.0003163700000000 ] - [ 0.0000215900000000, 0.0006985700000000, 0.0003197200000000 ] - [ -0.0017932600000000, 0.0005044600000000, -0.0002071200000000 ] - [ 0.0003726700000000, 0.0008968900000000, -0.0004111900000000 ] - [ -0.0000520300000000, 0.0006698500000000, -0.0001027500000000 ] - [ 0.0000160200000000, 0.0007116700000000, -0.0002528100000000 ] - [ -0.0000215000000000, 0.0007159700000000, -0.0002111600000000 ] - [ 0.0000119800000000, 0.0007251500000000, -0.0002728100000000 ] - [ 0.0000870400000000, 0.0005416000000000, -0.0008071600000000 ] - [ 0.0000407000000000, 0.0005385400000000, -0.0008162800000000 ] - [ 0.0015000700000000, 0.0006422200000000, -0.0004924100000000 ] - [ -0.0021026900000000, 0.0010606100000000, -0.0007585100000000 ] - [ 0.0001745400000000, -0.0002030800000000, 0.0007661400000000 ] - [ 0.0001607400000000, -0.0002425600000000, 0.0007465500000000 ] - [ -0.0000763700000000, -0.0000724100000000, -0.0004025500000000 ] - [ -0.0001732600000000, -0.0002915300000000, -0.0000075900000000 ] - [ 0.0001432700000000, -0.0000082700000000, -0.0002410200000000 ] - [ 0.0000178700000000, 0.0000825900000000, -0.0005812400000000 ] - [ -0.0000201500000000, -0.0000286200000000, 0.0001797300000000 ] - [ -0.0000156200000000, 0.0000450800000000, 0.0001053300000000 ] - [ -0.0002029100000000, 0.0002785000000000, -0.0001975100000000 ] - [ -0.0001861600000000, 0.0002774600000000, -0.0001635300000000 ] - [ -0.0027233700000000, -0.0009610900000000, 0.0008132000000000 ] - [ 0.0028867400000000, -0.0027676000000000, 0.0011516700000000 ] - [ -0.0000524200000000, -0.0003385800000000, -0.0009590900000000 ] - [ 0.0001587900000000, -0.0003387800000000, -0.0009160600000000 ] - [ -0.0000956500000000, -0.0007525800000000, -0.0009402800000000 ] - [ 0.0002077000000000, -0.0006639100000000, -0.0010430900000000 ] - [ 0.0007103000000000, -0.0002362700000000, -0.0006526400000000 ] - [ -0.0008624900000000, -0.0015992300000000, -0.0009898000000000 ] - [ 0.0004715700000000, 0.0000589400000000, -0.0006672800000000 ] - [ 0.0003564000000000, 0.0000954700000000, -0.0006872100000000 ] - [ 0.0000271200000000, 0.0005191500000000, 0.0011943400000000 ] - [ 0.0000714500000000, 0.0003244100000000, 0.0010592200000000 ] - [ 0.0004636900000000, -0.0000638400000000, 0.0014671800000000 ] - [ -0.0007153500000000, 0.0005274000000000, 0.0020072200000000 ] - [ 0.0003760600000000, 0.0010759300000000, -0.0006172900000000 ] - [ 0.0000990500000000, 0.0004694800000000, 0.0000516200000000 ] - [ 0.0002033800000000, -0.0001355000000000, -0.0000405200000000 ] - [ 0.0001262400000000, 0.0000086800000000, 0.0001398000000000 ] - [ -0.1107068200000000, -0.1353811700000000, 0.2981707300000000 ] - [ -0.0003180700000000, -0.0001951100000000, 0.0010192000000000 ] - [ -0.0000490400000000, -0.0004738400000000, 0.0008910000000000 ] - [ -0.0000830700000000, -0.0004796400000000, 0.0008551100000000 ] - [ 0.0000587100000000, -0.0015709300000000, 0.0009982900000000 ] - [ -0.0001480500000000, -0.0001805800000000, -0.0005338800000000 ] - [ -0.0001604300000000, 0.0002538500000000, -0.0005779200000000 ] - [ -0.0002508800000000, -0.0001677900000000, -0.0007435900000000 ] - [ -0.0044916500000000, -0.0029447500000000, -0.0040073000000000 ] - [ 0.0002991500000000, -0.0004356600000000, 0.0005290400000000 ] - [ 0.0001918700000000, -0.0000464500000000, 0.0001881000000000 ] - [ 0.0001954900000000, -0.0001216500000000, 0.0002292400000000 ] - [ -0.0003858900000000, -0.0000475600000000, 0.0006152200000000 ] - [ -0.0004063600000000, -0.0000204500000000, 0.0006396400000000 ] - [ -0.0006193200000000, 0.0015295200000000, -0.0014616200000000 ] - [ -0.0003475000000000, 0.0000491300000000, 0.0003877000000000 ] - [ -0.0001603000000000, 0.0003500300000000, -0.0018572100000000 ] - [ -0.0003434700000000, 0.0002386800000000, -0.0013633200000000 ] - [ -0.0001383400000000, 0.0002319200000000, -0.0009010500000000 ] - [ -0.0001720800000000, 0.0002337500000000, -0.0008800600000000 ] - [ -0.0001617000000000, -0.0002542100000000, -0.0003427500000000 ] - [ -0.0002469200000000, -0.0005120700000000, -0.0005008600000000 ] - [ -0.0000700800000000, -0.0001684500000000, -0.0004740400000000 ] - [ -0.0003717800000000, 0.0001742000000000, -0.0005570300000000 ] - [ -0.0000100500000000, -0.0000751800000000, -0.0002128300000000 ] - [ -0.0000401500000000, 0.0000046800000000, -0.0002217700000000 ] - [ -0.0030452400000000, 0.0036437800000000, 0.0030944500000000 ] - [ -0.0000585700000000, -0.0000749800000000, 0.0005186700000000 ] - [ 0.0000046600000000, 0.0001690100000000, 0.0003842100000000 ] - [ -0.0001131400000000, 0.0004956700000000, 0.0007098900000000 ] - [ -0.0000697600000000, 0.0006807300000000, 0.0006713500000000 ] - [ -0.0000917300000000, 0.0005622700000000, 0.0007657900000000 ] - [ 0.0000482700000000, 0.0002639300000000, -0.0006058800000000 ] - [ -0.0000034200000000, 0.0001583200000000, -0.0004572600000000 ] - [ 0.0003099800000000, 0.0000461600000000, -0.0012693300000000 ] - [ 0.0000420700000000, 0.0000239000000000, -0.0005925900000000 ] - [ -0.0001834800000000, 0.0003539100000000, 0.0017813700000000 ] - [ 0.0014097300000000, 0.0009853800000000, 0.0044957100000000 ] - [ -0.0000322500000000, 0.0000920300000000, 0.0003880600000000 ] - [ -0.0000729600000000, 0.0001649700000000, 0.0004214400000000 ] - [ -0.0005735600000000, 0.0005331500000000, -0.0013314000000000 ] - [ 0.0028374100000000, 0.0004514800000000, -0.0035386000000000 ] - [ 0.0003875800000000, 0.0000075400000000, -0.0006631100000000 ] - [ 0.0004122400000000, 0.0000058300000000, -0.0006432700000000 ] - [ -0.0002969300000000, 0.0002530500000000, 0.0008548700000000 ] - [ -0.0004051700000000, 0.0001221300000000, 0.0007266700000000 ] - [ 0.0001453800000000, -0.0012647100000000, 0.0011790900000000 ] - [ -0.0005982500000000, -0.0004440100000000, 0.0005973800000000 ]- atom: 49 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ 0.0015519400000000, -0.0003140600000000, -0.0024214600000000 ] - [ -0.0007562200000000, -0.0002833300000000, -0.0005443800000000 ] - [ -0.0000533700000000, -0.0000507900000000, 0.0000747000000000 ] - [ -0.0001439300000000, -0.0000675800000000, 0.0000997400000000 ] - [ 0.0001180400000000, 0.0002297100000000, -0.0001888300000000 ] - [ 0.0000896000000000, 0.0002053000000000, -0.0001813000000000 ] - [ -0.0017950000000000, -0.0018926300000000, -0.0074654300000000 ] - [ 0.0003984700000000, -0.0001407400000000, -0.0009250200000000 ] - [ -0.0012485100000000, 0.0029502200000000, 0.0010196000000000 ] - [ 0.0001310900000000, 0.0005557000000000, 0.0003614100000000 ] - [ -0.0001039200000000, -0.0001227900000000, 0.0004728500000000 ] - [ -0.0002038400000000, 0.0000876700000000, 0.0003763100000000 ] - [ 0.0003517000000000, -0.0004570900000000, -0.0000974400000000 ] - [ -0.0001032200000000, -0.0002981900000000, 0.0000087900000000 ] - [ 0.0011340800000000, 0.0011249900000000, -0.0004530500000000 ] - [ -0.0003693000000000, 0.0002202900000000, -0.0001129800000000 ] - [ 0.0004301600000000, -0.0000374800000000, -0.0003967300000000 ] - [ 0.0005174000000000, -0.0001799100000000, -0.0001505100000000 ] - [ -0.0000296600000000, -0.0018616300000000, 0.0008817300000000 ] - [ -0.0010614500000000, -0.0023750200000000, 0.0070480400000000 ] - [ 0.0005748300000000, 0.0002142400000000, -0.0006330100000000 ] - [ 0.0006345400000000, 0.0000867200000000, -0.0007459300000000 ] - [ 0.0004598400000000, 0.0000656100000000, -0.0011424600000000 ] - [ -0.0001782800000000, 0.0008510700000000, -0.0025613700000000 ] - [ -0.0004022500000000, -0.0000225700000000, -0.0023870900000000 ] - [ -0.0009493700000000, 0.0002152500000000, -0.0006760000000000 ] - [ -0.0003976100000000, -0.0003626400000000, 0.0003048500000000 ] - [ -0.0005079300000000, -0.0003107500000000, 0.0003646600000000 ] - [ -0.0063229300000000, -0.0077923900000000, 0.0049115800000000 ] - [ -0.0003129700000000, 0.0000708300000000, 0.0012450900000000 ] - [ -0.0007079400000000, 0.0005583300000000, 0.0004842500000000 ] - [ -0.0005375400000000, 0.0002948400000000, 0.0005679700000000 ] - [ 0.0000746600000000, 0.0005899600000000, -0.0004680800000000 ] - [ 0.0001045600000000, 0.0005871600000000, -0.0004471200000000 ] - [ -0.0046270800000000, 0.0062091000000000, -0.0051206600000000 ] - [ 0.0011978500000000, 0.0006279600000000, -0.0000812800000000 ] - [ -0.0017159200000000, 0.0007432000000000, 0.0012219800000000 ] - [ 0.0093779600000000, 0.0001128200000000, 0.0002322900000000 ] - [ -0.0001200300000000, -0.0004640700000000, 0.0005416200000000 ] - [ -0.0000914600000000, -0.0004353600000000, 0.0005875700000000 ] - [ -0.0000810100000000, 0.0004899000000000, 0.0001289200000000 ] - [ -0.0002486100000000, 0.0000523300000000, -0.0006023800000000 ] - [ -0.0000815900000000, 0.0006364200000000, 0.0003837900000000 ] - [ -0.0001148100000000, 0.0008416000000000, 0.0003292800000000 ] - [ 0.0002651900000000, 0.0001823500000000, -0.0005356100000000 ] - [ 0.0000102500000000, -0.0002831700000000, -0.0005234300000000 ] - [ 0.0002621900000000, -0.0008883600000000, -0.0014634800000000 ] - [ -0.0000672800000000, -0.0006825100000000, -0.0007433400000000 ] - [ -0.1228739600000000, -0.1471146900000000, 0.3210940000000000 ] - [ 0.0000557700000000, -0.0007007700000000, -0.0000990500000000 ] - [ -0.0000052200000000, -0.0006979100000000, -0.0003037000000000 ] - [ -0.0000183100000000, -0.0007029100000000, -0.0003214200000000 ] - [ -0.0000061900000000, -0.0006896100000000, 0.0002288900000000 ] - [ 0.0000111900000000, -0.0007025100000000, 0.0002206800000000 ] - [ 0.0000185800000000, -0.0007485300000000, 0.0002284000000000 ] - [ -0.0000146700000000, -0.0007174500000000, 0.0002198900000000 ] - [ 0.0000242400000000, 0.0007363600000000, 0.0003500800000000 ] - [ 0.0000053600000000, 0.0007391100000000, 0.0003465500000000 ] - [ 0.0018106100000000, 0.0009376600000000, 0.0008457100000000 ] - [ -0.0003409800000000, 0.0005478600000000, 0.0010623100000000 ] - [ 0.0000247900000000, 0.0007672100000000, -0.0005581400000000 ] - [ -0.0000425800000000, 0.0007267900000000, -0.0004123600000000 ] - [ -0.0000057600000000, 0.0007213700000000, -0.0004545000000000 ] - [ -0.0000379800000000, 0.0007131900000000, -0.0003931300000000 ] - [ 0.0000391600000000, 0.0004857800000000, -0.0008467700000000 ] - [ 0.0000834700000000, 0.0004883200000000, -0.0008369000000000 ] - [ -0.0013556500000000, 0.0003834700000000, -0.0011526600000000 ] - [ 0.0021824000000000, -0.0000176500000000, -0.0008903400000000 ] - [ 0.0001339900000000, -0.0002753100000000, 0.0008891900000000 ] - [ 0.0001459600000000, -0.0002362800000000, 0.0009080000000000 ] - [ 0.0003912700000000, -0.0004040800000000, 0.0020525700000000 ] - [ 0.0004728800000000, -0.0001919300000000, 0.0016487700000000 ] - [ -0.0001782700000000, -0.0001041200000000, 0.0008467600000000 ] - [ -0.0000536100000000, -0.0001901300000000, 0.0011741300000000 ] - [ -0.0000155600000000, -0.0000789400000000, 0.0004322000000000 ] - [ -0.0000228800000000, -0.0001509400000000, 0.0005061800000000 ] - [ -0.0001806500000000, 0.0000976000000000, -0.0002324800000000 ] - [ -0.0001983700000000, 0.0000992900000000, -0.0002655600000000 ] - [ 0.0023304100000000, 0.0013180600000000, -0.0012506800000000 ] - [ -0.0032492900000000, 0.0030855100000000, -0.0015643100000000 ] - [ 0.0001746600000000, -0.0006838900000000, -0.0006998100000000 ] - [ -0.0000313000000000, -0.0006815300000000, -0.0007413900000000 ] - [ 0.0002236200000000, -0.0002736200000000, -0.0007160100000000 ] - [ -0.0000849300000000, -0.0003615800000000, -0.0006125300000000 ] - [ 0.0000825900000000, 0.0001902400000000, -0.0006713200000000 ] - [ 0.0016176500000000, 0.0015120400000000, -0.0003438200000000 ] - [ 0.0003183100000000, -0.0000989200000000, -0.0006620400000000 ] - [ 0.0004281600000000, -0.0001339300000000, -0.0006420500000000 ] - [ 0.0002767400000000, -0.0000304600000000, 0.0004695600000000 ] - [ 0.0002348800000000, 0.0001599200000000, 0.0006031000000000 ] - [ -0.0001492300000000, 0.0005375400000000, 0.0001955500000000 ] - [ 0.0010053000000000, -0.0000412300000000, -0.0003342700000000 ] - [ 0.0000163100000000, -0.0006808900000000, 0.0010292800000000 ] - [ 0.0002844000000000, -0.0000968300000000, 0.0003740700000000 ] - [ 0.0001801500000000, 0.0005109800000000, 0.0004713100000000 ] - [ 0.0002559500000000, 0.0003639600000000, 0.0002899900000000 ] - [ 0.1199969000000000, 0.1460298300000000, -0.3139533800000000 ] - [ 0.0001877700000000, -0.0008325900000000, 0.0006346300000000 ] - [ -0.0000736600000000, -0.0005488600000000, 0.0007646800000000 ] - [ -0.0000432700000000, -0.0005432300000000, 0.0007989400000000 ] - [ -0.0003515700000000, 0.0010785600000000, -0.0026013700000000 ] - [ -0.0001630000000000, -0.0002952100000000, -0.0011134500000000 ] - [ -0.0001456000000000, -0.0007239900000000, -0.0010773300000000 ] - [ -0.0000601900000000, -0.0003080900000000, -0.0009116900000000 ] - [ 0.0047288300000000, 0.0024781200000000, 0.0043068700000000 ] - [ 0.0000809800000000, 0.0000552100000000, -0.0000901800000000 ] - [ 0.0001924100000000, -0.0003190600000000, 0.0002407800000000 ] - [ 0.0001869600000000, -0.0002460800000000, 0.0002006500000000 ] - [ -0.0003997000000000, 0.0000055100000000, 0.0007140200000000 ] - [ -0.0003813300000000, -0.0000214400000000, 0.0006894500000000 ] - [ -0.0001693600000000, -0.0015331300000000, 0.0027509600000000 ] - [ -0.0004406000000000, -0.0000920700000000, 0.0009401500000000 ] - [ -0.0001575400000000, 0.0001187000000000, 0.0001403200000000 ] - [ 0.0000328600000000, 0.0002379100000000, -0.0003030500000000 ] - [ -0.0001670100000000, 0.0002510900000000, -0.0007571300000000 ] - [ -0.0001366800000000, 0.0002477000000000, -0.0007781900000000 ] - [ -0.0002209400000000, -0.0001190600000000, -0.0000883800000000 ] - [ -0.0001383800000000, 0.0001324500000000, 0.0000643400000000 ] - [ -0.0003100500000000, -0.0002004500000000, 0.0000423600000000 ] - [ -0.0000165700000000, -0.0005362600000000, 0.0001222500000000 ] - [ 0.0000489100000000, -0.0000322400000000, -0.0003990100000000 ] - [ 0.0000748800000000, -0.0001127800000000, -0.0003901800000000 ] - [ 0.0030343000000000, -0.0036785700000000, -0.0036407100000000 ] - [ 0.0000937800000000, -0.0000371900000000, -0.0011237200000000 ] - [ -0.0001261900000000, 0.0008477200000000, 0.0012604900000000 ] - [ -0.0000165400000000, 0.0005284700000000, 0.0009427500000000 ] - [ -0.0000548900000000, 0.0003489800000000, 0.0009821700000000 ] - [ -0.0000353400000000, 0.0004654800000000, 0.0008875100000000 ] - [ -0.0000089500000000, -0.0001478200000000, -0.0000162100000000 ] - [ 0.0000403600000000, -0.0000465600000000, -0.0001595200000000 ] - [ -0.0002708400000000, 0.0000656700000000, 0.0006461200000000 ] - [ -0.0000019000000000, 0.0000863100000000, -0.0000252400000000 ] - [ 0.0001164600000000, -0.0002372300000000, -0.0011473900000000 ] - [ -0.0014164100000000, -0.0008467300000000, -0.0038197400000000 ] - [ -0.0000050300000000, 0.0000215300000000, 0.0002275700000000 ] - [ 0.0000335000000000, -0.0000504500000000, 0.0001946500000000 ] - [ 0.0013499900000000, -0.0004922100000000, -0.0000092800000000 ] - [ -0.0019778100000000, -0.0003826600000000, 0.0021710100000000 ] - [ 0.0003992400000000, 0.0000374500000000, -0.0006669200000000 ] - [ 0.0003743600000000, 0.0000399700000000, -0.0006872200000000 ] - [ -0.0004862700000000, -0.0002033600000000, 0.0004782100000000 ] - [ -0.0003843000000000, -0.0000767100000000, 0.0006034700000000 ] - [ -0.0009357400000000, 0.0013106600000000, 0.0001623100000000 ] - [ -0.0001915100000000, 0.0004805900000000, 0.0007320200000000 ]- atom: 65 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ 0.0002433000000000, 0.0000076600000000, 0.0000350200000000 ] - [ -0.0004612700000000, -0.0003050000000000, 0.0001993500000000 ] - [ 0.0042661400000000, -0.0008267200000000, -0.0051325500000000 ] - [ -0.0047003300000000, 0.0014808700000000, 0.0036485200000000 ] - [ 0.0011451600000000, 0.0005787900000000, -0.0000464500000000 ] - [ -0.0012505100000000, 0.0003006200000000, -0.0002826800000000 ] - [ 0.0003135600000000, 0.0000709900000000, -0.0001614900000000 ] - [ -0.0001177400000000, 0.0000809300000000, -0.0001606800000000 ] - [ 0.0003938100000000, 0.0004788200000000, 0.0007686900000000 ] - [ -0.0008643900000000, -0.0004318600000000, -0.0001333900000000 ] - [ 0.0005769900000000, -0.0003727000000000, 0.0005164400000000 ] - [ -0.0011318600000000, 0.0004426600000000, -0.0004861900000000 ] - [ 0.0017664100000000, 0.0075351400000000, -0.0004982100000000 ] - [ -0.0042079400000000, -0.0037809900000000, 0.0004635800000000 ] - [ 0.0007121500000000, -0.0005846400000000, -0.0002061500000000 ] - [ -0.0006901500000000, 0.0004522900000000, 0.0001716500000000 ] - [ 0.0140228900000000, -0.0034955500000000, -0.0087364500000000 ] - [ -0.0038231800000000, 0.0017727400000000, 0.0030723100000000 ] - [ 0.0009804700000000, 0.0000240300000000, -0.0006084200000000 ] - [ 0.0001587800000000, -0.0003587300000000, -0.0004652300000000 ] - [ 0.0089372300000000, -0.0027979100000000, 0.0078179800000000 ] - [ -0.0037669500000000, 0.0018844400000000, -0.0044410700000000 ] - [ 0.0007775300000000, 0.0002616300000000, -0.0004458300000000 ] - [ 0.0003204500000000, -0.0000387900000000, -0.0005113200000000 ] - [ -0.0007425400000000, 0.0000389100000000, 0.0003707500000000 ] - [ -0.0002366700000000, -0.0007872700000000, 0.0005636200000000 ] - [ -0.0021681000000000, -0.0015137400000000, 0.0002732100000000 ] - [ 0.0010965500000000, 0.0007993100000000, 0.0002944400000000 ] - [ -0.0017891900000000, 0.0010979900000000, 0.0000674300000000 ] - [ 0.0007441800000000, -0.0004672400000000, 0.0007319500000000 ] - [ -0.0042991100000000, -0.0048898500000000, 0.0026475100000000 ] - [ 0.0103587200000000, 0.0102345400000000, -0.0046759400000000 ] - [ -0.0085431100000000, 0.0014498000000000, -0.0003770100000000 ] - [ 0.1037674800000000, -0.0045752500000000, 0.0143561400000000 ] - [ -0.0000943000000000, 0.0006129900000000, -0.0004820900000000 ] - [ 0.0002947600000000, 0.0004556000000000, -0.0004142800000000 ] - [ 0.0000220300000000, -0.0005841800000000, 0.0005351500000000 ] - [ -0.0002067900000000, -0.0004505200000000, 0.0005750600000000 ] - [ 0.0024957100000000, -0.0004263100000000, 0.0004162500000000 ] - [ -0.0014899100000000, -0.0004227500000000, 0.0006899300000000 ] - [ 0.0005513200000000, -0.0003373600000000, 0.0001624300000000 ] - [ -0.0008807400000000, 0.0007937400000000, 0.0005382100000000 ] - [ 0.0009141700000000, 0.0006718700000000, 0.0010814200000000 ] - [ -0.0009707700000000, 0.0002417400000000, 0.0001248200000000 ] - [ -0.0006161100000000, 0.0000983600000000, -0.0004202900000000 ] - [ 0.0012142000000000, -0.0017227400000000, -0.0006272600000000 ] - [ -0.0001735600000000, -0.0008652800000000, -0.0005308400000000 ] - [ 0.0003838200000000, -0.0003930500000000, -0.0005365200000000 ] - [ 0.0000263100000000, -0.0006787100000000, -0.0003111500000000 ] - [ -0.0000557500000000, -0.0007440100000000, -0.0003573400000000 ] - [ -0.0004541300000000, -0.0011877000000000, 0.0010955000000000 ] - [ -0.0005342500000000, 0.0002973600000000, -0.0024738800000000 ] - [ 0.0001062500000000, -0.0007284300000000, 0.0004025500000000 ] - [ -0.0001293100000000, -0.0007692300000000, 0.0002851900000000 ] - [ 0.0000808700000000, -0.0007740800000000, 0.0003288800000000 ] - [ -0.0000623500000000, -0.0007401600000000, 0.0003068000000000 ] - [ 0.0715960800000000, 0.0559922100000000, -0.1152175100000000 ] - [ -0.0016070800000000, 0.0007683200000000, 0.0000742800000000 ] - [ 0.0000608300000000, 0.0007188400000000, 0.0003490100000000 ] - [ -0.0000355600000000, 0.0007366500000000, 0.0003153900000000 ] - [ 0.0001640000000000, 0.0008428300000000, -0.0004935300000000 ] - [ -0.0001901800000000, 0.0004034300000000, -0.0001911600000000 ] - [ 0.0000910500000000, 0.0005575800000000, -0.0004486800000000 ] - [ -0.0001945800000000, 0.0007107800000000, -0.0002421400000000 ] - [ -0.2744649200000000, -0.0549076000000000, 0.0979830300000000 ] - [ 0.0054100100000000, 0.0004581900000000, -0.0007267600000000 ] - [ -0.0001180700000000, 0.0005436500000000, -0.0008573800000000 ] - [ 0.0002479000000000, 0.0004769100000000, -0.0008171400000000 ] - [ -0.0042952100000000, -0.0018660300000000, -0.0003093200000000 ] - [ 0.0028747900000000, 0.0003867700000000, 0.0012083600000000 ] - [ 0.0000049600000000, -0.0002480900000000, 0.0008226400000000 ] - [ 0.0003272000000000, -0.0001222500000000, 0.0008494500000000 ] - [ -0.0002846600000000, 0.0003339300000000, 0.0002100800000000 ] - [ 0.0002930200000000, -0.0002462400000000, 0.0004373600000000 ] - [ -0.0014466100000000, 0.0003626600000000, 0.0007113200000000 ] - [ 0.0008915600000000, -0.0001280300000000, 0.0001062700000000 ] - [ -0.0044257300000000, -0.0005794400000000, -0.0001642300000000 ] - [ 0.0015394400000000, 0.0001838300000000, -0.0008714700000000 ] - [ -0.0003100300000000, 0.0002131300000000, -0.0002078100000000 ] - [ -0.0000847700000000, 0.0001563300000000, -0.0002330700000000 ] - [ -0.0007479700000000, -0.0003541800000000, -0.0009760500000000 ] - [ 0.0006920100000000, -0.0005722200000000, -0.0007762200000000 ] - [ -0.0001764200000000, -0.0004742500000000, -0.0008416000000000 ] - [ 0.0003044500000000, -0.0004687700000000, -0.0007618400000000 ] - [ -0.0004595600000000, -0.0001261100000000, -0.0004576900000000 ] - [ 0.0010588100000000, 0.0000481200000000, -0.0006440800000000 ] - [ -0.0028964100000000, -0.0007317300000000, -0.0014589200000000 ] - [ 0.0022500300000000, 0.0009257900000000, -0.0001076300000000 ] - [ -0.0041830700000000, -0.0001867100000000, -0.0007718800000000 ] - [ 0.0029646200000000, -0.0003523300000000, 0.0010935600000000 ] - [ -0.0003626900000000, 0.0003112600000000, 0.0008426600000000 ] - [ 0.0006420700000000, 0.0001772100000000, 0.0008612900000000 ] - [ 0.0002738900000000, -0.0001566900000000, 0.0001836800000000 ] - [ 0.0001205900000000, 0.0009820600000000, 0.0003000900000000 ] - [ 0.0004023300000000, 0.0007605800000000, 0.0003391600000000 ] - [ -0.0000846600000000, -0.0001865300000000, 0.0002709300000000 ] - [ -0.0000440000000000, -0.0006192400000000, 0.0007555200000000 ] - [ -0.0000835200000000, -0.0004199100000000, 0.0008689200000000 ] - [ 0.0005406400000000, -0.0003619100000000, 0.0003494600000000 ] - [ -0.0011690200000000, -0.0013460200000000, 0.0024120700000000 ] - [ 0.0010029300000000, -0.0018397600000000, -0.0018582600000000 ] - [ -0.0006348200000000, 0.0012412200000000, -0.0005628000000000 ] - [ -0.0001809100000000, 0.0012043800000000, -0.0013703900000000 ] - [ -0.0003802200000000, -0.0033507300000000, 0.0006464400000000 ] - [ 0.0003193200000000, -0.0005126000000000, 0.0003337900000000 ] - [ 0.0000489000000000, 0.0001213400000000, 0.0000892800000000 ] - [ 0.0083588500000000, 0.0043283000000000, -0.0011640400000000 ] - [ 0.0303714300000000, -0.0270116400000000, 0.0047296500000000 ] - [ 0.0065948500000000, -0.0019883200000000, 0.0049498400000000 ] - [ 0.0198039000000000, 0.0092770700000000, -0.0185663000000000 ] - [ -0.0003602300000000, 0.0000324200000000, 0.0006835600000000 ] - [ -0.0004494500000000, -0.0000244700000000, 0.0006042500000000 ] - [ -0.0002193600000000, 0.0001320000000000, -0.0008017600000000 ] - [ -0.0000542000000000, 0.0004733700000000, -0.0008416600000000 ] - [ 0.0013628400000000, 0.0002979400000000, 0.0014044500000000 ] - [ -0.0006413600000000, -0.0004673400000000, -0.0017849000000000 ] - [ -0.0026816300000000, 0.0017600700000000, -0.0002555300000000 ] - [ 0.0014679200000000, -0.0010232700000000, -0.0002636100000000 ] - [ -0.0004971600000000, -0.0002669600000000, -0.0002821100000000 ] - [ 0.0001785200000000, 0.0001624500000000, -0.0001541400000000 ] - [ 0.0062519500000000, -0.0020765600000000, -0.0037984000000000 ] - [ 0.0264784200000000, 0.0161464200000000, 0.0224055500000000 ] - [ 0.0001050600000000, 0.0000041600000000, -0.0003257500000000 ] - [ -0.0000820900000000, -0.0002065500000000, -0.0003225900000000 ] - [ 0.0004646700000000, -0.0001050900000000, 0.0013469400000000 ] - [ -0.0003570400000000, 0.0012990600000000, 0.0006288500000000 ] - [ 0.0004626900000000, 0.0013044500000000, 0.0009289200000000 ] - [ -0.0003562700000000, -0.0000307700000000, 0.0003870900000000 ] - [ 0.0004557000000000, -0.0004645600000000, 0.0004985800000000 ] - [ -0.0007609000000000, 0.0009861000000000, -0.0020475800000000 ] - [ 0.0000855200000000, 0.0002557400000000, -0.0002821700000000 ] - [ -0.0000527700000000, -0.0000544200000000, -0.0003254000000000 ] - [ -0.0003893100000000, 0.0000758800000000, 0.0003779300000000 ] - [ 0.0004097200000000, -0.0000975700000000, 0.0001683500000000 ] - [ -0.0045694800000000, 0.0003196100000000, 0.0011110200000000 ] - [ 0.0018065600000000, 0.0004257700000000, -0.0005475800000000 ] - [ 0.0002099800000000, 0.0001265300000000, -0.0007834100000000 ] - [ 0.0005438900000000, 0.0000085500000000, -0.0006409500000000 ] - [ -0.0003941000000000, -0.0000939300000000, -0.0006477600000000 ] - [ 0.0012892300000000, 0.0001996800000000, -0.0006676400000000 ] - [ 0.0000590700000000, -0.0005247400000000, -0.0000870900000000 ] - [ -0.0015628400000000, 0.0011713400000000, 0.0028042100000000 ] - [ -0.0003240600000000, 0.0001788900000000, 0.0007123800000000 ] - [ -0.0004795200000000, -0.0001033100000000, 0.0007842600000000 ]- atom: 65 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ -0.0004492800000000, -0.0002500100000000, 0.0002785000000000 ] - [ 0.0002541900000000, 0.0000650600000000, 0.0001132100000000 ] - [ -0.0043779700000000, 0.0007143600000000, 0.0055664700000000 ] - [ 0.0045101400000000, -0.0017433800000000, -0.0033576500000000 ] - [ -0.0009175800000000, -0.0003381800000000, -0.0002727900000000 ] - [ 0.0014513300000000, -0.0000602600000000, -0.0000354000000000 ] - [ -0.0001052300000000, 0.0001743200000000, -0.0001505400000000 ] - [ 0.0003241400000000, 0.0001647300000000, -0.0001520100000000 ] - [ -0.0005916100000000, -0.0002399300000000, -0.0004599000000000 ] - [ 0.0006562400000000, 0.0006805400000000, 0.0004502000000000 ] - [ -0.0007672200000000, 0.0006266900000000, -0.0002099400000000 ] - [ 0.0009195200000000, -0.0001995100000000, 0.0008012700000000 ] - [ -0.0014740000000000, -0.0078770600000000, 0.0001749700000000 ] - [ 0.0044312300000000, 0.0035630400000000, -0.0007722700000000 ] - [ -0.0004991000000000, 0.0003439300000000, -0.0001062200000000 ] - [ 0.0008947200000000, -0.0006983500000000, -0.0004831500000000 ] - [ -0.0131013200000000, 0.0029978800000000, 0.0077849100000000 ] - [ 0.0048836900000000, -0.0022163700000000, -0.0039994400000000 ] - [ 0.0000715400000000, -0.0004669400000000, -0.0003358300000000 ] - [ 0.0009001500000000, -0.0000894000000000, -0.0004766500000000 ] - [ -0.0079488600000000, 0.0032742400000000, -0.0088550600000000 ] - [ 0.0048328100000000, -0.0014283500000000, 0.0034815900000000 ] - [ 0.0002767500000000, 0.0001917300000000, -0.0004976600000000 ] - [ 0.0007377300000000, 0.0004869800000000, -0.0004332900000000 ] - [ -0.0003102300000000, -0.0004859800000000, 0.0005708100000000 ] - [ -0.0008232600000000, 0.0003412100000000, 0.0003783600000000 ] - [ 0.0011224600000000, 0.0010648700000000, 0.0006697300000000 ] - [ -0.0021742000000000, -0.0012460400000000, 0.0006346300000000 ] - [ 0.0007389900000000, -0.0006460000000000, 0.0008798000000000 ] - [ -0.0018094100000000, 0.0009186600000000, 0.0002150100000000 ] - [ 0.0032498200000000, 0.0053191600000000, -0.0016943300000000 ] - [ -0.0115488000000000, -0.0097749900000000, 0.0056646400000000 ] - [ 0.0087103100000000, -0.0004072800000000, -0.0005933700000000 ] - [ -0.1144954000000000, 0.0054098300000000, -0.0155844800000000 ] - [ 0.0002909300000000, 0.0004333700000000, -0.0004858700000000 ] - [ -0.0000998300000000, 0.0005931300000000, -0.0005535200000000 ] - [ -0.0002195700000000, -0.0004616500000000, 0.0004330200000000 ] - [ 0.0000128300000000, -0.0005931300000000, 0.0003924600000000 ] - [ -0.0027276900000000, -0.0006127400000000, 0.0005138300000000 ] - [ 0.0013013900000000, -0.0006269300000000, 0.0002825700000000 ] - [ -0.0007535800000000, 0.0013807700000000, 0.0008021300000000 ] - [ 0.0006905200000000, 0.0002598400000000, 0.0004305000000000 ] - [ -0.0011218700000000, 0.0003797000000000, -0.0000964000000000 ] - [ 0.0007806400000000, 0.0007992500000000, 0.0008381600000000 ] - [ 0.0008117100000000, -0.0011402300000000, -0.0005476300000000 ] - [ -0.0010288800000000, 0.0006771300000000, -0.0003463900000000 ] - [ 0.0003709700000000, -0.0001810600000000, -0.0004390700000000 ] - [ -0.0001900700000000, -0.0006510900000000, -0.0004325300000000 ] - [ -0.0000526300000000, -0.0007596400000000, -0.0003558000000000 ] - [ 0.0000287600000000, -0.0006937500000000, -0.0003095600000000 ] - [ 0.0004262400000000, -0.0002554500000000, -0.0017513000000000 ] - [ 0.0005059300000000, -0.0017425700000000, 0.0018199600000000 ] - [ -0.0000785200000000, -0.0007103500000000, 0.0002644200000000 ] - [ 0.0001552400000000, -0.0006684200000000, 0.0003807400000000 ] - [ -0.0000532600000000, -0.0006635800000000, 0.0003383300000000 ] - [ 0.0000887800000000, -0.0006985500000000, 0.0003598900000000 ] - [ -0.0739895300000000, -0.0541913300000000, 0.1151422700000000 ] - [ 0.0016362800000000, 0.0006707100000000, 0.0005934000000000 ] - [ -0.0000336100000000, 0.0007200800000000, 0.0003179800000000 ] - [ 0.0000621700000000, 0.0007022500000000, 0.0003520500000000 ] - [ -0.0001894000000000, 0.0005962100000000, -0.0001739000000000 ] - [ 0.0001627100000000, 0.0010371800000000, -0.0004781300000000 ] - [ -0.0001170400000000, 0.0008808500000000, -0.0002184400000000 ] - [ 0.0001687000000000, 0.0007279800000000, -0.0004255600000000 ] - [ 0.2890645100000000, 0.0557124800000000, -0.0986101100000000 ] - [ -0.0052861200000000, 0.0005663500000000, -0.0009259700000000 ] - [ 0.0002453100000000, 0.0004802500000000, -0.0007961900000000 ] - [ -0.0001226000000000, 0.0005478500000000, -0.0008369800000000 ] - [ 0.0046378000000000, 0.0013880200000000, 0.0019168100000000 ] - [ -0.0025728000000000, -0.0008680400000000, 0.0004604900000000 ] - [ 0.0003024000000000, -0.0002332900000000, 0.0008347100000000 ] - [ -0.0000198000000000, -0.0003567900000000, 0.0008078200000000 ] - [ 0.0002472600000000, -0.0004436100000000, 0.0004056100000000 ] - [ -0.0003312600000000, 0.0001317800000000, 0.0001797800000000 ] - [ 0.0014086900000000, -0.0004743600000000, -0.0000973100000000 ] - [ -0.0009370600000000, 0.0000207900000000, 0.0005123600000000 ] - [ 0.0040835400000000, 0.0009656900000000, -0.0001978900000000 ] - [ -0.0019214200000000, 0.0001915100000000, 0.0004349500000000 ] - [ -0.0000705700000000, 0.0001555600000000, -0.0002208200000000 ] - [ -0.0002989200000000, 0.0002141600000000, -0.0001961500000000 ] - [ 0.0008761700000000, -0.0006689200000000, -0.0006750200000000 ] - [ -0.0005708600000000, -0.0004553600000000, -0.0008798400000000 ] - [ 0.0003043000000000, -0.0005523500000000, -0.0008102100000000 ] - [ -0.0001796900000000, -0.0005548800000000, -0.0008900400000000 ] - [ 0.0012500000000000, 0.0000840600000000, -0.0008747000000000 ] - [ -0.0002754300000000, -0.0000952600000000, -0.0006886300000000 ] - [ 0.0037037600000000, 0.0006595500000000, 0.0001126000000000 ] - [ -0.0014634100000000, -0.0009593700000000, -0.0012204100000000 ] - [ 0.0044953000000000, 0.0007144500000000, 0.0024608200000000 ] - [ -0.0026601600000000, 0.0008253800000000, 0.0005564900000000 ] - [ 0.0006723800000000, 0.0001613200000000, 0.0008140500000000 ] - [ -0.0003372900000000, 0.0003059500000000, 0.0007954600000000 ] - [ 0.0001084500000000, 0.0005255300000000, 0.0002464300000000 ] - [ 0.0002633200000000, -0.0006144300000000, 0.0001305900000000 ] - [ -0.0000222900000000, -0.0003897200000000, 0.0000927100000000 ] - [ 0.0004705400000000, 0.0005553500000000, 0.0001613100000000 ] - [ -0.0000825900000000, -0.0004058300000000, 0.0008969900000000 ] - [ -0.0000424400000000, -0.0006055400000000, 0.0007834800000000 ] - [ -0.0006695600000000, -0.0006612500000000, 0.0013008700000000 ] - [ 0.0010725200000000, 0.0003253300000000, -0.0007600200000000 ] - [ -0.0013148300000000, 0.0013621700000000, 0.0002042300000000 ] - [ 0.0003352600000000, -0.0017303900000000, -0.0010964900000000 ] - [ -0.0001342300000000, -0.0016794200000000, -0.0002908700000000 ] - [ 0.0000919300000000, 0.0028847300000000, -0.0023183200000000 ] - [ 0.0000651300000000, 0.0001404300000000, 0.0000944400000000 ] - [ 0.0003357000000000, -0.0004944600000000, 0.0003404300000000 ] - [ -0.0079096100000000, -0.0046479200000000, 0.0015851400000000 ] - [ -0.0304558000000000, 0.0271156800000000, -0.0043927000000000 ] - [ -0.0073296800000000, 0.0019254900000000, -0.0035754300000000 ] - [ -0.0211356700000000, -0.0094996500000000, 0.0202636600000000 ] - [ -0.0004255200000000, -0.0000751700000000, 0.0006459700000000 ] - [ -0.0003358300000000, -0.0000188100000000, 0.0007257500000000 ] - [ -0.0000877600000000, 0.0003473500000000, -0.0008542000000000 ] - [ -0.0002535500000000, 0.0000055800000000, -0.0008147600000000 ] - [ -0.0016783300000000, 0.0001803500000000, -0.0030660600000000 ] - [ 0.0003460000000000, 0.0009529800000000, 0.0001410200000000 ] - [ 0.0023213500000000, -0.0021176900000000, -0.0001794800000000 ] - [ -0.0018537600000000, 0.0006418500000000, -0.0001626300000000 ] - [ 0.0001159500000000, -0.0001098200000000, -0.0001519600000000 ] - [ -0.0005615900000000, -0.0005300300000000, -0.0002751800000000 ] - [ -0.0061649100000000, 0.0019463200000000, 0.0031549000000000 ] - [ -0.0268288800000000, -0.0165196900000000, -0.0234300800000000 ] - [ -0.0000655100000000, -0.0001150500000000, -0.0002897900000000 ] - [ 0.0001237700000000, 0.0000952700000000, -0.0002932100000000 ] - [ -0.0005919000000000, 0.0011291800000000, 0.0003061800000000 ] - [ 0.0002349100000000, -0.0002797100000000, 0.0010270300000000 ] - [ -0.0005925000000000, -0.0002793400000000, 0.0007256500000000 ] - [ 0.0002363500000000, 0.0010585700000000, 0.0012656800000000 ] - [ -0.0004218100000000, 0.0005733800000000, -0.0011078800000000 ] - [ 0.0008132000000000, -0.0008804400000000, 0.0014483400000000 ] - [ -0.0000452600000000, -0.0001448500000000, -0.0003324300000000 ] - [ 0.0000939100000000, 0.0001641500000000, -0.0002886800000000 ] - [ 0.0003520400000000, 0.0000357500000000, 0.0002369300000000 ] - [ -0.0004519200000000, 0.0002064900000000, 0.0004462300000000 ] - [ 0.0045892200000000, -0.0002731500000000, -0.0004479400000000 ] - [ -0.0018469700000000, -0.0003112900000000, 0.0011547300000000 ] - [ 0.0005760000000000, -0.0000847900000000, -0.0005456300000000 ] - [ 0.0002428200000000, 0.0000332300000000, -0.0006886100000000 ] - [ 0.0011854300000000, 0.0001279300000000, -0.0006593300000000 ] - [ -0.0005020200000000, -0.0001545500000000, -0.0006655900000000 ] - [ -0.0008526900000000, 0.0005668300000000, 0.0014143000000000 ] - [ 0.0007945000000000, -0.0011270300000000, -0.0014847500000000 ] - [ -0.0004608100000000, -0.0001362100000000, 0.0006189700000000 ] - [ -0.0003047500000000, 0.0001462300000000, 0.0005467200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000077300000000, -0.0015042100000000, 0.0003635500000000 ] - [ -0.0002416800000000, -0.0012471200000000, 0.0002557900000000 ] - [ -0.0004997900000000, 0.0066047100000000, -0.0024445700000000 ] - [ 0.0009604000000000, 0.0023750600000000, -0.0022064400000000 ] - [ 0.0006921200000000, 0.0020710900000000, -0.0005252400000000 ] - [ -0.0001534900000000, 0.0018238000000000, -0.0002597300000000 ] - [ 0.0000234500000000, -0.0009845600000000, -0.0001934900000000 ] - [ 0.0001257000000000, -0.0009286200000000, -0.0001552800000000 ] - [ 0.0008430700000000, -0.0013940400000000, -0.0011626000000000 ] - [ -0.0005229300000000, -0.0005402600000000, -0.0002701200000000 ] - [ -0.0013556100000000, -0.0008088900000000, 0.0012729800000000 ] - [ 0.0006280500000000, -0.0001317600000000, 0.0010724000000000 ] - [ 0.0049966100000000, -0.0017087400000000, 0.0005871000000000 ] - [ -0.0017967500000000, -0.0009374600000000, 0.0004379800000000 ] - [ -0.0006937600000000, -0.0019486100000000, -0.0000451300000000 ] - [ 0.0007408100000000, -0.0016530200000000, -0.0003619400000000 ] - [ -0.0008880300000000, 0.0017504600000000, -0.0096801300000000 ] - [ 0.0009859700000000, 0.0014588900000000, -0.0013455700000000 ] - [ 0.0007274100000000, -0.0025479700000000, -0.0001045500000000 ] - [ 0.0005114800000000, -0.0017944700000000, -0.0003590200000000 ] - [ 0.0010119700000000, 0.0023683700000000, 0.0045246900000000 ] - [ 0.0006820700000000, 0.0018124100000000, -0.0000746500000000 ] - [ 0.0008023300000000, -0.0019982500000000, -0.0007295100000000 ] - [ 0.0005104100000000, -0.0012557400000000, -0.0005399000000000 ] - [ -0.0004697200000000, -0.0012734900000000, 0.0005905900000000 ] - [ -0.0009216400000000, -0.0016643900000000, 0.0008146800000000 ] - [ -0.0012913300000000, -0.0002472500000000, -0.0000279500000000 ] - [ 0.0006943300000000, 0.0010050600000000, -0.0001250400000000 ] - [ 0.0004667000000000, -0.0018731800000000, 0.0008784400000000 ] - [ -0.0012148700000000, -0.0023527600000000, 0.0003580100000000 ] - [ -0.0013228800000000, -0.0001506000000000, 0.0012869900000000 ] - [ 0.0028093500000000, -0.0082716700000000, 0.0037141700000000 ] - [ 0.0000531100000000, 0.0046896500000000, -0.0000361100000000 ] - [ 0.0049118000000000, 0.0484623500000000, -0.0058274100000000 ] - [ 0.0001664200000000, -0.0008151200000000, -0.0004720600000000 ] - [ 0.0001096000000000, -0.0010561700000000, -0.0004804100000000 ] - [ -0.0001945600000000, -0.0020598800000000, 0.0002021000000000 ] - [ 0.0000540900000000, -0.0016524900000000, 0.0002720500000000 ] - [ 0.0008301400000000, 0.0064904400000000, 0.0049464000000000 ] - [ -0.0002893500000000, 0.0012927000000000, 0.0007669900000000 ] - [ -0.0009134900000000, -0.0018706600000000, 0.0007312000000000 ] - [ 0.0006326000000000, 0.0004280500000000, 0.0007872700000000 ] - [ 0.0008349500000000, -0.0015950600000000, -0.0032571600000000 ] - [ -0.0006497700000000, 0.0000524200000000, -0.0000431600000000 ] - [ 0.0001437100000000, -0.0003087700000000, -0.0008337600000000 ] - [ -0.0000809800000000, -0.0009441500000000, -0.0010742500000000 ] - [ 0.0000784600000000, -0.0011110000000000, -0.0004448500000000 ] - [ 0.0002479300000000, -0.0011555800000000, -0.0004377600000000 ] - [ -0.0000037800000000, -0.0010554900000000, -0.0003098400000000 ] - [ -0.0000040400000000, -0.0010505900000000, -0.0003123800000000 ] - [ -0.0000488300000000, 0.0001599800000000, -0.0002042000000000 ] - [ 0.0000673500000000, 0.0012549900000000, 0.0001994200000000 ] - [ 0.0001577600000000, -0.0008440800000000, 0.0006772700000000 ] - [ -0.0000619300000000, -0.0007195500000000, 0.0003540400000000 ] - [ -0.0000544400000000, -0.0009251800000000, 0.0001711700000000 ] - [ 0.0000496900000000, -0.0008220300000000, 0.0002891800000000 ] - [ 0.0465385700000000, 0.0774749300000000, -0.1414069800000000 ] - [ 0.0002459600000000, 0.0016916900000000, 0.0006573000000000 ] - [ 0.0000184800000000, 0.0003452200000000, 0.0003752800000000 ] - [ 0.0000193300000000, 0.0004272600000000, 0.0003694400000000 ] - [ 0.0001408500000000, 0.0007429800000000, -0.0000985400000000 ] - [ -0.0001383300000000, 0.0006308500000000, -0.0001874000000000 ] - [ -0.0001066900000000, 0.0004935000000000, -0.0005112700000000 ] - [ 0.0000052400000000, 0.0005733700000000, -0.0005091200000000 ] - [ -0.0559746200000000, -0.1430022400000000, 0.1485130300000000 ] - [ 0.0000123500000000, -0.0012950400000000, -0.0010350300000000 ] - [ 0.0000904300000000, 0.0013186100000000, -0.0008100700000000 ] - [ 0.0000240700000000, 0.0011555600000000, -0.0008158900000000 ] - [ -0.0013354900000000, -0.0036347100000000, -0.0011179700000000 ] - [ 0.0000690100000000, -0.0015194900000000, 0.0007483400000000 ] - [ 0.0004549000000000, 0.0008883800000000, 0.0009064700000000 ] - [ 0.0003635300000000, 0.0005466500000000, 0.0008420700000000 ] - [ 0.0000208500000000, 0.0012720100000000, -0.0004343500000000 ] - [ -0.0002202800000000, 0.0003970900000000, 0.0000085900000000 ] - [ -0.0006674200000000, -0.0000324600000000, 0.0019859100000000 ] - [ 0.0001143800000000, -0.0001549100000000, 0.0006334100000000 ] - [ -0.0002066600000000, -0.0050230800000000, 0.0021862600000000 ] - [ -0.0001180400000000, -0.0015545800000000, 0.0001869800000000 ] - [ -0.0002302700000000, 0.0017262700000000, -0.0004128000000000 ] - [ -0.0002429600000000, 0.0013406100000000, -0.0003491500000000 ] - [ -0.0000989900000000, -0.0005961000000000, -0.0005468700000000 ] - [ 0.0001195400000000, -0.0006797100000000, -0.0006965400000000 ] - [ 0.0000207300000000, -0.0000708100000000, -0.0008309700000000 ] - [ 0.0000169600000000, -0.0001869200000000, -0.0008834600000000 ] - [ 0.0008440800000000, 0.0013318500000000, -0.0006464100000000 ] - [ 0.0002261600000000, 0.0004222700000000, -0.0008499100000000 ] - [ -0.0007902900000000, 0.0053453300000000, 0.0014967800000000 ] - [ 0.0003429800000000, 0.0002825600000000, -0.0003636000000000 ] - [ 0.0003813700000000, 0.0047777100000000, 0.0067927900000000 ] - [ 0.0006698400000000, -0.0000096600000000, 0.0012311800000000 ] - [ 0.0000752300000000, 0.0016664800000000, 0.0004937300000000 ] - [ -0.0002112300000000, 0.0009935100000000, 0.0006365000000000 ] - [ -0.0000990000000000, 0.0004027900000000, 0.0004161200000000 ] - [ 0.0003143000000000, 0.0008520200000000, 0.0003322900000000 ] - [ 0.0004637800000000, 0.0004927800000000, 0.0002645200000000 ] - [ 0.0000014000000000, 0.0003371600000000, 0.0003466200000000 ] - [ -0.0001656400000000, 0.0001890000000000, 0.0009558300000000 ] - [ 0.0000328300000000, 0.0001427700000000, 0.0009291100000000 ] - [ 0.0000918500000000, -0.0015028300000000, 0.0006957500000000 ] - [ -0.0008962400000000, -0.0027767300000000, -0.0001172200000000 ] - [ -0.0018581500000000, 0.0017458900000000, 0.0001064500000000 ] - [ 0.0002713800000000, 0.0008559200000000, -0.0007167100000000 ] - [ 0.0004397100000000, 0.0001519000000000, -0.0010709200000000 ] - [ -0.0017078000000000, 0.0021391100000000, -0.0017421100000000 ] - [ 0.0000518200000000, 0.0012448000000000, -0.0000354200000000 ] - [ 0.0002957800000000, 0.0014214400000000, 0.0000134900000000 ] - [ 0.0033541900000000, -0.0015098400000000, -0.0003584100000000 ] - [ -0.0310518100000000, 0.0075017900000000, -0.0018770100000000 ] - [ -0.0013397600000000, -0.0019783300000000, 0.0003758900000000 ] - [ 0.0133458600000000, -0.0022583800000000, -0.0065481100000000 ] - [ -0.0003626300000000, 0.0007546400000000, 0.0004758900000000 ] - [ -0.0004751700000000, 0.0009138900000000, 0.0004184000000000 ] - [ -0.0000428500000000, 0.0009409300000000, -0.0008987300000000 ] - [ 0.0001722100000000, 0.0011069500000000, -0.0008719200000000 ] - [ 0.0010647500000000, -0.0006534800000000, 0.0013030300000000 ] - [ -0.0005545900000000, -0.0010516100000000, -0.0006853400000000 ] - [ 0.0010081300000000, 0.0020523600000000, -0.0031780100000000 ] - [ -0.0000120300000000, -0.0007237000000000, -0.0005318000000000 ] - [ -0.0002195100000000, 0.0019641900000000, 0.0008300800000000 ] - [ -0.0001968400000000, 0.0007165000000000, 0.0000693700000000 ] - [ -0.0018429800000000, -0.0018805800000000, -0.0002404300000000 ] - [ 0.0196775500000000, -0.0016626600000000, 0.0101328600000000 ] - [ 0.0001515000000000, 0.0008441300000000, -0.0001555400000000 ] - [ 0.0000440600000000, 0.0010653000000000, -0.0000718800000000 ] - [ -0.0008487700000000, 0.0010614000000000, 0.0001848700000000 ] - [ 0.0004830100000000, 0.0011323500000000, 0.0006181400000000 ] - [ 0.0005593600000000, 0.0010633300000000, 0.0010509800000000 ] - [ -0.0008516000000000, 0.0011293000000000, 0.0016772500000000 ] - [ -0.0000784200000000, -0.0005912100000000, -0.0002141800000000 ] - [ 0.0002942100000000, -0.0004111600000000, -0.0008914300000000 ] - [ 0.0000198500000000, 0.0006809700000000, -0.0003705700000000 ] - [ -0.0001388500000000, 0.0008095600000000, -0.0002749100000000 ] - [ 0.0001639500000000, 0.0013680100000000, 0.0007194400000000 ] - [ -0.0002454800000000, 0.0009543400000000, 0.0006387900000000 ] - [ -0.0030062200000000, 0.0044898100000000, -0.0087155300000000 ] - [ -0.0001064800000000, -0.0005956200000000, -0.0005143800000000 ] - [ 0.0004640700000000, 0.0007900800000000, -0.0007738600000000 ] - [ 0.0003678200000000, 0.0005367400000000, -0.0007223300000000 ] - [ 0.0003405500000000, -0.0014137200000000, -0.0018907400000000 ] - [ 0.0006422800000000, -0.0005049100000000, -0.0004251800000000 ] - [ -0.0006848000000000, -0.0004526100000000, 0.0010342300000000 ] - [ 0.0000792700000000, -0.0001924600000000, 0.0022472800000000 ] - [ -0.0002904100000000, 0.0006189900000000, 0.0006993800000000 ] - [ -0.0004614900000000, 0.0007061400000000, 0.0005886000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001987600000000, 0.0012596800000000, -0.0000513000000000 ] - [ 0.0000335600000000, 0.0010006200000000, 0.0000570800000000 ] - [ 0.0004247800000000, -0.0067378300000000, 0.0028555800000000 ] - [ -0.0011874700000000, -0.0026090900000000, 0.0025299000000000 ] - [ -0.0004727200000000, -0.0018237200000000, 0.0002090000000000 ] - [ 0.0003537200000000, -0.0015778200000000, -0.0000558200000000 ] - [ 0.0001843800000000, 0.0012269100000000, -0.0001194900000000 ] - [ 0.0000816400000000, 0.0011708300000000, -0.0001578500000000 ] - [ -0.0010503100000000, 0.0016387200000000, 0.0014816500000000 ] - [ 0.0003124200000000, 0.0007769600000000, 0.0005815800000000 ] - [ 0.0011508100000000, 0.0010525700000000, -0.0009565500000000 ] - [ -0.0008391600000000, 0.0003790000000000, -0.0007621200000000 ] - [ -0.0046415700000000, 0.0012099600000000, -0.0009010000000000 ] - [ 0.0019806800000000, 0.0006737900000000, -0.0007413400000000 ] - [ 0.0008966900000000, 0.0016958900000000, -0.0002653100000000 ] - [ -0.0005346500000000, 0.0014110000000000, 0.0000514100000000 ] - [ 0.0020186200000000, -0.0022574300000000, 0.0086997300000000 ] - [ 0.0000508100000000, -0.0019023600000000, 0.0004062800000000 ] - [ 0.0003269500000000, 0.0020985700000000, -0.0008397700000000 ] - [ 0.0005374400000000, 0.0013444900000000, -0.0005846800000000 ] - [ 0.0000984800000000, -0.0019232200000000, -0.0054721000000000 ] - [ 0.0003590400000000, -0.0013613700000000, -0.0008756200000000 ] - [ 0.0002541900000000, 0.0024402900000000, -0.0002166500000000 ] - [ 0.0005389500000000, 0.0017025400000000, -0.0004050100000000 ] - [ -0.0005831200000000, 0.0008231300000000, 0.0003529800000000 ] - [ -0.0001255800000000, 0.0012099500000000, 0.0001293300000000 ] - [ 0.0002349100000000, -0.0002022600000000, 0.0009712900000000 ] - [ -0.0017375800000000, -0.0014409100000000, 0.0010631300000000 ] - [ -0.0015270100000000, 0.0023241600000000, 0.0000633200000000 ] - [ 0.0001746400000000, 0.0027956800000000, 0.0005890100000000 ] - [ 0.0002559700000000, 0.0005917800000000, -0.0003377600000000 ] - [ -0.0037327300000000, 0.0087356300000000, -0.0027339000000000 ] - [ 0.0001170600000000, -0.0036353300000000, -0.0009335200000000 ] - [ -0.0044495700000000, -0.0476219800000000, 0.0050144100000000 ] - [ 0.0000272800000000, 0.0018578900000000, -0.0004952200000000 ] - [ 0.0000866000000000, 0.0020971900000000, -0.0004860200000000 ] - [ 0.0000015600000000, 0.0010148900000000, 0.0007661000000000 ] - [ -0.0002502300000000, 0.0006080800000000, 0.0006959300000000 ] - [ -0.0010201300000000, -0.0074948800000000, -0.0039757700000000 ] - [ 0.0000885200000000, -0.0023317100000000, 0.0002007500000000 ] - [ 0.0007258400000000, 0.0029114600000000, 0.0002347900000000 ] - [ -0.0008338300000000, 0.0006130100000000, 0.0001799300000000 ] - [ -0.0010149600000000, 0.0026364400000000, 0.0041872200000000 ] - [ 0.0004504200000000, 0.0009909600000000, 0.0010093000000000 ] - [ 0.0000482800000000, -0.0007357900000000, -0.0001335800000000 ] - [ 0.0002828500000000, -0.0001101500000000, 0.0001018600000000 ] - [ 0.0001153200000000, 0.0000671400000000, -0.0005225000000000 ] - [ -0.0000508900000000, 0.0001142100000000, -0.0005304700000000 ] - [ -0.0000224000000000, -0.0003827600000000, -0.0003584800000000 ] - [ -0.0000225400000000, -0.0003883700000000, -0.0003558700000000 ] - [ 0.0000163300000000, -0.0015980100000000, -0.0004558500000000 ] - [ -0.0000995800000000, -0.0026886000000000, -0.0008731100000000 ] - [ -0.0001309700000000, -0.0005946200000000, -0.0000096200000000 ] - [ 0.0000877300000000, -0.0007193600000000, 0.0003145000000000 ] - [ 0.0000811200000000, -0.0005128100000000, 0.0004964500000000 ] - [ -0.0000231700000000, -0.0006159500000000, 0.0003794200000000 ] - [ -0.0451057300000000, -0.0781984800000000, 0.1392379800000000 ] - [ -0.0002230400000000, -0.0002503700000000, 0.0000101800000000 ] - [ 0.0000085500000000, 0.0010928200000000, 0.0002931200000000 ] - [ 0.0000073700000000, 0.0010106400000000, 0.0002988700000000 ] - [ -0.0001664100000000, 0.0006945000000000, -0.0005713500000000 ] - [ 0.0001113500000000, 0.0008051200000000, -0.0004809600000000 ] - [ 0.0000801100000000, 0.0009440700000000, -0.0001582400000000 ] - [ -0.0000331800000000, 0.0008643900000000, -0.0001597300000000 ] - [ 0.0543476200000000, 0.1463475300000000, -0.1475906200000000 ] - [ 0.0001276600000000, 0.0023202700000000, -0.0006266200000000 ] - [ 0.0000351600000000, -0.0002865000000000, -0.0008525700000000 ] - [ 0.0001031200000000, -0.0001248300000000, -0.0008464900000000 ] - [ 0.0016345100000000, 0.0031810400000000, 0.0027807000000000 ] - [ 0.0002521600000000, 0.0010500700000000, 0.0009143900000000 ] - [ -0.0001404300000000, -0.0013558900000000, 0.0007556600000000 ] - [ -0.0000493400000000, -0.0010156800000000, 0.0008196100000000 ] - [ -0.0000644700000000, -0.0013827100000000, 0.0010528600000000 ] - [ 0.0001798700000000, -0.0005082200000000, 0.0006096600000000 ] - [ 0.0006191300000000, -0.0000841800000000, -0.0013563300000000 ] - [ -0.0001535900000000, 0.0000415400000000, -0.0000152200000000 ] - [ -0.0001855100000000, 0.0053912100000000, -0.0025808800000000 ] - [ -0.0002670800000000, 0.0019204000000000, -0.0006165900000000 ] - [ -0.0001607200000000, -0.0013549000000000, -0.0000165200000000 ] - [ -0.0001470500000000, -0.0009700700000000, -0.0000802500000000 ] - [ 0.0002214600000000, -0.0004304900000000, -0.0011153800000000 ] - [ 0.0000078900000000, -0.0003499200000000, -0.0009648900000000 ] - [ 0.0001049300000000, -0.0009597500000000, -0.0008300100000000 ] - [ 0.0001096400000000, -0.0008436800000000, -0.0007781600000000 ] - [ -0.0000636900000000, -0.0013785200000000, -0.0006859300000000 ] - [ 0.0005630800000000, -0.0004663200000000, -0.0004829000000000 ] - [ 0.0015307600000000, -0.0053020600000000, -0.0028052600000000 ] - [ 0.0004470200000000, -0.0003275000000000, -0.0009679800000000 ] - [ -0.0000828900000000, -0.0043577400000000, -0.0052028000000000 ] - [ -0.0003442000000000, 0.0004815300000000, 0.0004336200000000 ] - [ 0.0002373700000000, -0.0011953400000000, 0.0011649300000000 ] - [ 0.0005274200000000, -0.0005228000000000, 0.0010250500000000 ] - [ 0.0004910800000000, -0.0000323000000000, 0.0000135900000000 ] - [ 0.0000756400000000, -0.0004750000000000, 0.0000991500000000 ] - [ -0.0000709300000000, -0.0001224500000000, 0.0001654700000000 ] - [ 0.0003882800000000, 0.0000282600000000, 0.0000845200000000 ] - [ 0.0000408900000000, -0.0012195400000000, 0.0007061400000000 ] - [ -0.0001600400000000, -0.0011718700000000, 0.0007336900000000 ] - [ -0.0002137400000000, 0.0004696500000000, 0.0009637600000000 ] - [ 0.0007715400000000, 0.0017380000000000, 0.0017811600000000 ] - [ 0.0015537000000000, -0.0022273700000000, -0.0017783000000000 ] - [ -0.0005913000000000, -0.0013147800000000, -0.0009439000000000 ] - [ -0.0007481500000000, -0.0006194700000000, -0.0005940600000000 ] - [ 0.0013870300000000, -0.0026271400000000, 0.0000803600000000 ] - [ 0.0003404900000000, -0.0016150000000000, 0.0004651600000000 ] - [ 0.0000928200000000, -0.0017872600000000, 0.0004144500000000 ] - [ -0.0029283500000000, 0.0011430300000000, 0.0007869000000000 ] - [ 0.0311768000000000, -0.0079491100000000, 0.0023411700000000 ] - [ 0.0005671500000000, 0.0019293900000000, 0.0009611300000000 ] - [ -0.0142404600000000, 0.0022942400000000, 0.0078956100000000 ] - [ -0.0004201800000000, -0.0007987500000000, 0.0008560700000000 ] - [ -0.0003109000000000, -0.0009570300000000, 0.0009117700000000 ] - [ -0.0002701100000000, -0.0004696400000000, -0.0007627100000000 ] - [ -0.0004867900000000, -0.0006341000000000, -0.0007899700000000 ] - [ -0.0013710200000000, 0.0011203100000000, -0.0029502900000000 ] - [ 0.0002383300000000, 0.0015142900000000, -0.0009790500000000 ] - [ -0.0014168400000000, -0.0024430500000000, 0.0027777100000000 ] - [ -0.0003717000000000, 0.0003539300000000, 0.0001006200000000 ] - [ -0.0001719800000000, -0.0023221600000000, -0.0012492000000000 ] - [ -0.0001922300000000, -0.0010847300000000, -0.0004990200000000 ] - [ 0.0018974700000000, 0.0017640200000000, -0.0003829900000000 ] - [ -0.0196343600000000, 0.0017126000000000, -0.0107322800000000 ] - [ -0.0001071500000000, -0.0009543600000000, -0.0004629200000000 ] - [ -0.0000035600000000, -0.0011766400000000, -0.0005463900000000 ] - [ 0.0007291200000000, -0.0000340600000000, 0.0014814200000000 ] - [ -0.0006127900000000, -0.0000974000000000, 0.0010430400000000 ] - [ -0.0006804800000000, -0.0000318200000000, 0.0006129200000000 ] - [ 0.0007180400000000, -0.0001006200000000, -0.0000122500000000 ] - [ 0.0001219900000000, 0.0007024600000000, -0.0004010900000000 ] - [ -0.0002543900000000, 0.0005277300000000, 0.0002686300000000 ] - [ 0.0000239900000000, -0.0005684700000000, -0.0002467700000000 ] - [ 0.0001794800000000, -0.0006978800000000, -0.0003403300000000 ] - [ -0.0002077000000000, -0.0012558400000000, -0.0001015100000000 ] - [ 0.0002061500000000, -0.0008426700000000, -0.0000219500000000 ] - [ 0.0029367300000000, -0.0043419100000000, 0.0092311000000000 ] - [ 0.0000696400000000, 0.0007053700000000, 0.0011278800000000 ] - [ 0.0003196200000000, -0.0007428500000000, -0.0005591500000000 ] - [ 0.0004168300000000, -0.0004901600000000, -0.0006095900000000 ] - [ 0.0004424300000000, 0.0014485500000000, 0.0005594200000000 ] - [ 0.0001466900000000, 0.0005491400000000, -0.0009057300000000 ] - [ -0.0000977500000000, 0.0004984200000000, 0.0002983000000000 ] - [ -0.0008688500000000, 0.0002522800000000, -0.0008981900000000 ] - [ -0.0004928300000000, -0.0005719600000000, 0.0006343700000000 ] - [ -0.0003248700000000, -0.0006605300000000, 0.0007455500000000 ]- atom: 65 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ -0.0002003700000000, 0.0000315600000000, 0.0003033400000000 ] - [ -0.0000276100000000, 0.0000314000000000, 0.0002936300000000 ] - [ -0.0007248000000000, 0.0009691100000000, 0.0043163600000000 ] - [ 0.0009714400000000, -0.0019693900000000, 0.0006422900000000 ] - [ 0.0006314200000000, 0.0003961200000000, -0.0044142700000000 ] - [ -0.0002292200000000, 0.0001518900000000, -0.0022135200000000 ] - [ 0.0001405100000000, 0.0000772000000000, -0.0003489000000000 ] - [ 0.0000820600000000, 0.0001008500000000, -0.0003232100000000 ] - [ 0.0007459200000000, -0.0009154500000000, -0.0008196600000000 ] - [ -0.0004486200000000, -0.0004699100000000, -0.0003148700000000 ] - [ 0.0010447700000000, 0.0010081500000000, -0.0005106400000000 ] - [ -0.0006410100000000, 0.0005186000000000, -0.0001698000000000 ] - [ 0.0006263100000000, -0.0011022300000000, 0.0055104300000000 ] - [ -0.0001388900000000, -0.0000606100000000, 0.0034704500000000 ] - [ 0.0001501200000000, -0.0003295100000000, 0.0003421400000000 ] - [ -0.0000297000000000, -0.0000581100000000, 0.0001949700000000 ] - [ -0.0021111200000000, -0.0069463000000000, -0.0075444000000000 ] - [ 0.0004949000000000, -0.0002139900000000, -0.0011841700000000 ] - [ 0.0003290000000000, 0.0000176300000000, -0.0005809100000000 ] - [ 0.0004640700000000, -0.0002414900000000, -0.0005042100000000 ] - [ 0.0017872400000000, 0.0057001100000000, -0.0078282300000000 ] - [ 0.0002146400000000, 0.0012107600000000, -0.0010653800000000 ] - [ 0.0007083500000000, -0.0000414800000000, -0.0005399500000000 ] - [ 0.0005234000000000, -0.0000359100000000, -0.0004891100000000 ] - [ -0.0004988700000000, -0.0002108900000000, 0.0001571700000000 ] - [ -0.0003148400000000, -0.0000326500000000, -0.0003227500000000 ] - [ -0.0015110800000000, -0.0013519900000000, -0.0005939300000000 ] - [ -0.0007629700000000, -0.0008643500000000, -0.0026217600000000 ] - [ -0.0003984600000000, -0.0000689700000000, 0.0008653300000000 ] - [ -0.0003004100000000, -0.0005906800000000, 0.0016906800000000 ] - [ -0.0006950700000000, -0.0000578100000000, 0.0012026100000000 ] - [ -0.0024162700000000, 0.0020284300000000, 0.0060045700000000 ] - [ -0.0000484200000000, 0.0010105000000000, 0.0017276600000000 ] - [ -0.0061116600000000, -0.0056283200000000, 0.0568551300000000 ] - [ 0.0000834700000000, 0.0004282500000000, -0.0003343300000000 ] - [ 0.0001162300000000, 0.0004580400000000, -0.0002857900000000 ] - [ -0.0001390500000000, -0.0006837700000000, 0.0001385400000000 ] - [ -0.0000334100000000, -0.0006009100000000, 0.0003442500000000 ] - [ -0.0023462200000000, 0.0034020400000000, -0.0031793800000000 ] - [ 0.0000549400000000, 0.0000627700000000, 0.0000960300000000 ] - [ 0.0005108800000000, 0.0034974800000000, 0.0014276500000000 ] - [ -0.0001186700000000, 0.0011089400000000, 0.0007163000000000 ] - [ 0.0002822300000000, -0.0003607400000000, 0.0007988000000000 ] - [ -0.0006315100000000, 0.0003181400000000, 0.0008068600000000 ] - [ 0.0000738500000000, -0.0002300500000000, -0.0015173400000000 ] - [ 0.0001591600000000, -0.0003400100000000, -0.0038459400000000 ] - [ 0.0000408500000000, -0.0007367600000000, -0.0006946400000000 ] - [ 0.0001153100000000, -0.0005123200000000, -0.0007559800000000 ] - [ 0.0000032200000000, -0.0007567900000000, -0.0003091500000000 ] - [ -0.0000247600000000, -0.0007592300000000, -0.0003194400000000 ] - [ 0.0003038600000000, -0.0005236800000000, 0.0000017000000000 ] - [ -0.0004726900000000, 0.0001445500000000, -0.0002609100000000 ] - [ -0.0000386600000000, -0.0004019000000000, -0.0001083300000000 ] - [ 0.0000666200000000, -0.0006113900000000, 0.0002123300000000 ] - [ 0.0000099300000000, -0.0008617200000000, 0.0001739800000000 ] - [ -0.0000109500000000, -0.0007854500000000, 0.0002686100000000 ] - [ -0.0908255800000000, -0.1342026400000000, 0.2978389700000000 ] - [ -0.0002791200000000, 0.0010076300000000, 0.0005187200000000 ] - [ 0.0000272500000000, 0.0006819700000000, 0.0003920800000000 ] - [ 0.0000076700000000, 0.0006970100000000, 0.0003567300000000 ] - [ -0.0001837100000000, 0.0009067200000000, -0.0004404900000000 ] - [ 0.0000946400000000, 0.0010802900000000, -0.0005441100000000 ] - [ -0.0000268000000000, 0.0005345100000000, -0.0004582400000000 ] - [ -0.0000340400000000, 0.0006292900000000, -0.0004168300000000 ] - [ 0.0946216600000000, 0.1430240700000000, -0.3870234600000000 ] - [ 0.0001545700000000, 0.0003139400000000, -0.0017141400000000 ] - [ 0.0000393500000000, 0.0005368000000000, -0.0009495500000000 ] - [ 0.0000784000000000, 0.0005308100000000, -0.0008984000000000 ] - [ 0.0001961200000000, -0.0012941600000000, 0.0122537000000000 ] - [ -0.0001206600000000, -0.0002090500000000, 0.0014273600000000 ] - [ 0.0001610900000000, -0.0002229700000000, 0.0008863300000000 ] - [ 0.0001788500000000, -0.0001859500000000, 0.0008675800000000 ] - [ -0.0000916900000000, -0.0010532900000000, 0.0009286600000000 ] - [ -0.0000765200000000, -0.0002180300000000, 0.0004487600000000 ] - [ -0.0007571400000000, 0.0009111600000000, 0.0011532900000000 ] - [ 0.0001358500000000, 0.0002761600000000, 0.0003490800000000 ] - [ 0.0021266900000000, 0.0000007600000000, 0.0095296300000000 ] - [ -0.0000143200000000, -0.0001496100000000, 0.0001343500000000 ] - [ -0.0002023000000000, 0.0002172400000000, -0.0001083400000000 ] - [ -0.0002133400000000, 0.0002513800000000, -0.0001818900000000 ] - [ -0.0000790500000000, -0.0008017500000000, 0.0006600600000000 ] - [ 0.0001176900000000, -0.0006503700000000, -0.0004190100000000 ] - [ 0.0000545500000000, -0.0005156300000000, -0.0005933400000000 ] - [ 0.0001327200000000, -0.0004632500000000, -0.0007152600000000 ] - [ 0.0003746900000000, -0.0005294700000000, -0.0018380900000000 ] - [ 0.0003913500000000, -0.0001027600000000, -0.0010688900000000 ] - [ -0.0003711500000000, 0.0008214500000000, -0.0023798700000000 ] - [ 0.0004574700000000, 0.0000094400000000, -0.0010559000000000 ] - [ -0.0007711600000000, 0.0058768100000000, 0.0033475600000000 ] - [ 0.0005927600000000, 0.0006311500000000, 0.0008421000000000 ] - [ 0.0001072400000000, -0.0002309700000000, 0.0006369700000000 ] - [ 0.0002521500000000, 0.0001643300000000, 0.0007976400000000 ] - [ 0.0000786400000000, 0.0000798300000000, 0.0005936200000000 ] - [ 0.0001113400000000, 0.0002031200000000, 0.0010042200000000 ] - [ 0.0001789100000000, 0.0006410200000000, 0.0006601000000000 ] - [ 0.0002546700000000, 0.0002800900000000, 0.0008211500000000 ] - [ -0.0001401200000000, -0.0003913500000000, 0.0008778800000000 ] - [ -0.0000275600000000, -0.0004194100000000, 0.0009371900000000 ] - [ -0.0005405000000000, -0.0006485300000000, 0.0010506800000000 ] - [ 0.0015213800000000, -0.0014584900000000, 0.0015538600000000 ] - [ -0.0003600300000000, -0.0000943200000000, -0.0012904600000000 ] - [ 0.0000854500000000, 0.0005529200000000, -0.0013596600000000 ] - [ -0.0003894700000000, -0.0002287700000000, -0.0012589600000000 ] - [ 0.0005749500000000, -0.0008023800000000, -0.0016127000000000 ] - [ 0.0001919000000000, -0.0000449100000000, 0.0000671800000000 ] - [ 0.0001496700000000, -0.0000003700000000, -0.0000508300000000 ] - [ 0.0006677200000000, -0.0003317600000000, -0.0010529900000000 ] - [ 0.0033370400000000, -0.0013709000000000, -0.0090310200000000 ] - [ 0.0016190300000000, -0.0005752600000000, 0.0000957400000000 ] - [ -0.0292946700000000, -0.0077614700000000, 0.0100963300000000 ] - [ -0.0003872100000000, 0.0000909800000000, 0.0005502600000000 ] - [ -0.0004354100000000, 0.0000818300000000, 0.0005166500000000 ] - [ -0.0001408700000000, 0.0002179900000000, -0.0007202000000000 ] - [ -0.0002419800000000, 0.0001343700000000, -0.0006563500000000 ] - [ 0.0012342800000000, 0.0004030900000000, 0.0014067100000000 ] - [ -0.0004297500000000, 0.0009041700000000, 0.0004993900000000 ] - [ -0.0005204600000000, -0.0052254600000000, 0.0008056800000000 ] - [ -0.0002012000000000, -0.0008955000000000, -0.0004012200000000 ] - [ -0.0002206400000000, 0.0002705100000000, -0.0002152600000000 ] - [ -0.0000083100000000, 0.0001054600000000, -0.0002600200000000 ] - [ -0.0014325000000000, -0.0002394800000000, -0.0007947100000000 ] - [ 0.0256630700000000, 0.0099532300000000, 0.0036233300000000 ] - [ 0.0000317400000000, -0.0000408500000000, -0.0003843400000000 ] - [ 0.0000636900000000, -0.0001242800000000, -0.0004154900000000 ] - [ 0.0000295800000000, 0.0002996600000000, 0.0006696200000000 ] - [ -0.0005081300000000, -0.0003310100000000, 0.0006548400000000 ] - [ 0.0004501200000000, 0.0011635200000000, 0.0006718300000000 ] - [ -0.0002681700000000, 0.0007295800000000, 0.0006536400000000 ] - [ 0.0002389500000000, -0.0004847700000000, 0.0004473800000000 ] - [ -0.0006511000000000, -0.0015031300000000, 0.0026863600000000 ] - [ 0.0000457400000000, 0.0001723700000000, -0.0002066400000000 ] - [ -0.0000001800000000, 0.0000556700000000, -0.0001525200000000 ] - [ 0.0000469300000000, 0.0005462100000000, 0.0002633500000000 ] - [ 0.0000209800000000, 0.0002115900000000, 0.0002959400000000 ] - [ 0.0027723900000000, -0.0061966900000000, 0.0026509000000000 ] - [ 0.0001597700000000, -0.0000332300000000, 0.0000664800000000 ] - [ 0.0004792000000000, 0.0000122800000000, -0.0002913500000000 ] - [ 0.0004248700000000, 0.0000316800000000, -0.0004989800000000 ] - [ 0.0002957500000000, -0.0011660600000000, 0.0024729600000000 ] - [ 0.0007274000000000, -0.0000465200000000, 0.0001213400000000 ] - [ -0.0005439400000000, 0.0000661300000000, 0.0014310400000000 ] - [ 0.0005313700000000, 0.0015284700000000, 0.0035792900000000 ] - [ -0.0004497100000000, 0.0000705700000000, 0.0008387900000000 ] - [ -0.0003602200000000, 0.0000177900000000, 0.0008653100000000 ]- atom: 65 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ -0.0000060800000000, -0.0002743000000000, 0.0000093800000000 ] - [ -0.0001804100000000, -0.0002744100000000, 0.0000202000000000 ] - [ 0.0007018600000000, -0.0010156000000000, -0.0038587800000000 ] - [ -0.0012056700000000, 0.0017339100000000, -0.0003088200000000 ] - [ -0.0004253800000000, -0.0001524100000000, 0.0041119500000000 ] - [ 0.0004308900000000, 0.0000909700000000, 0.0019018900000000 ] - [ 0.0000679600000000, 0.0001678300000000, 0.0000358800000000 ] - [ 0.0001243300000000, 0.0001437200000000, 0.0000108700000000 ] - [ -0.0009580100000000, 0.0011694900000000, 0.0011380500000000 ] - [ 0.0002402500000000, 0.0007152700000000, 0.0006299500000000 ] - [ -0.0012410500000000, -0.0007664600000000, 0.0008216400000000 ] - [ 0.0004255100000000, -0.0002735500000000, 0.0004756600000000 ] - [ -0.0004187400000000, 0.0009207500000000, -0.0058708900000000 ] - [ 0.0003265900000000, -0.0001971400000000, -0.0037892600000000 ] - [ 0.0000634100000000, 0.0000852300000000, -0.0006552100000000 ] - [ 0.0002302100000000, -0.0001802500000000, -0.0005058700000000 ] - [ 0.0033271800000000, 0.0065474100000000, 0.0066636200000000 ] - [ 0.0005367800000000, -0.0002268900000000, 0.0002595100000000 ] - [ 0.0007289900000000, -0.0004612100000000, -0.0003654000000000 ] - [ 0.0005898400000000, -0.0002084200000000, -0.0004394100000000 ] - [ -0.0006663200000000, -0.0052854800000000, 0.0069461900000000 ] - [ 0.0008273500000000, -0.0007594800000000, 0.0001167500000000 ] - [ 0.0003492900000000, 0.0004956000000000, -0.0004013600000000 ] - [ 0.0005311400000000, 0.0004859600000000, -0.0004531700000000 ] - [ -0.0005589800000000, -0.0002360500000000, 0.0007866000000000 ] - [ -0.0007383800000000, -0.0004168800000000, 0.0012677400000000 ] - [ 0.0004472100000000, 0.0008942700000000, 0.0015390500000000 ] - [ -0.0002829800000000, 0.0004151300000000, 0.0035645400000000 ] - [ -0.0006602700000000, 0.0005223400000000, 0.0000766400000000 ] - [ -0.0007489600000000, 0.0010439900000000, -0.0007523900000000 ] - [ -0.0003815400000000, 0.0004800500000000, -0.0002507400000000 ] - [ 0.0014097900000000, -0.0015179000000000, -0.0050803900000000 ] - [ 0.0001967300000000, 0.0000411400000000, -0.0027180000000000 ] - [ 0.0069648600000000, 0.0069342600000000, -0.0580167400000000 ] - [ 0.0001108900000000, 0.0006187800000000, -0.0006337400000000 ] - [ 0.0000814300000000, 0.0005902900000000, -0.0006820800000000 ] - [ -0.0000553100000000, -0.0003577700000000, 0.0008306700000000 ] - [ -0.0001646600000000, -0.0004429700000000, 0.0006239900000000 ] - [ 0.0021716800000000, -0.0045028800000000, 0.0041362200000000 ] - [ -0.0002652300000000, -0.0011104500000000, 0.0008707900000000 ] - [ -0.0007023700000000, -0.0024568100000000, -0.0004553800000000 ] - [ -0.0000775000000000, -0.0000633900000000, 0.0002529600000000 ] - [ -0.0004741400000000, 0.0014074300000000, 0.0001844300000000 ] - [ 0.0004303600000000, 0.0007251700000000, 0.0001597900000000 ] - [ 0.0001160700000000, -0.0008101400000000, 0.0005546500000000 ] - [ 0.0000450000000000, -0.0007099200000000, 0.0028834800000000 ] - [ 0.0001524600000000, -0.0003105500000000, -0.0002733800000000 ] - [ 0.0000826400000000, -0.0005323300000000, -0.0002115100000000 ] - [ -0.0000301700000000, -0.0006813000000000, -0.0003574400000000 ] - [ -0.0000021100000000, -0.0006786700000000, -0.0003476500000000 ] - [ -0.0003451400000000, -0.0009217300000000, -0.0006560900000000 ] - [ 0.0004457200000000, -0.0015818500000000, -0.0004175700000000 ] - [ 0.0000651400000000, -0.0010363700000000, 0.0007765400000000 ] - [ -0.0000408100000000, -0.0008273100000000, 0.0004552900000000 ] - [ 0.0000181300000000, -0.0005775300000000, 0.0004931500000000 ] - [ 0.0000371500000000, -0.0006529000000000, 0.0003989500000000 ] - [ 0.0998690800000000, 0.1474869100000000, -0.3144680700000000 ] - [ 0.0002968700000000, 0.0004280900000000, 0.0001459900000000 ] - [ -0.0000001000000000, 0.0007575300000000, 0.0002747200000000 ] - [ 0.0000189900000000, 0.0007421200000000, 0.0003100900000000 ] - [ 0.0001578100000000, 0.0005325800000000, -0.0002259800000000 ] - [ -0.0001217000000000, 0.0003568300000000, -0.0001218300000000 ] - [ 0.0000006300000000, 0.0009032800000000, -0.0002085700000000 ] - [ 0.0000064200000000, 0.0008092600000000, -0.0002492900000000 ] - [ -0.1041845300000000, -0.1539503000000000, 0.4023323900000000 ] - [ -0.0000005400000000, 0.0007137400000000, 0.0000661300000000 ] - [ 0.0000889500000000, 0.0004869700000000, -0.0007030700000000 ] - [ 0.0000500100000000, 0.0004939100000000, -0.0007553500000000 ] - [ 0.0000981000000000, 0.0008066700000000, -0.0104133100000000 ] - [ 0.0004428300000000, -0.0002623800000000, 0.0002298500000000 ] - [ 0.0001485600000000, -0.0002531100000000, 0.0007712300000000 ] - [ 0.0001328300000000, -0.0002884500000000, 0.0007916300000000 ] - [ 0.0000507700000000, 0.0009396300000000, -0.0003121300000000 ] - [ 0.0000381200000000, 0.0001048400000000, 0.0001674100000000 ] - [ 0.0007114900000000, -0.0010197100000000, -0.0005389500000000 ] - [ -0.0001715600000000, -0.0003880500000000, 0.0002649700000000 ] - [ -0.0025487900000000, 0.0003926200000000, -0.0101086400000000 ] - [ -0.0003608000000000, 0.0005212200000000, -0.0005659800000000 ] - [ -0.0001822700000000, 0.0001505100000000, -0.0003188500000000 ] - [ -0.0001702400000000, 0.0001183800000000, -0.0002462200000000 ] - [ 0.0002012500000000, -0.0002254100000000, -0.0023176800000000 ] - [ 0.0000108300000000, -0.0003763300000000, -0.0012378500000000 ] - [ 0.0000746600000000, -0.0005073400000000, -0.0010568500000000 ] - [ -0.0000034000000000, -0.0005603900000000, -0.0009376400000000 ] - [ 0.0004123300000000, 0.0004864800000000, 0.0005078200000000 ] - [ 0.0003947000000000, 0.0000590200000000, -0.0002623900000000 ] - [ 0.0011442400000000, -0.0008822500000000, 0.0010332500000000 ] - [ 0.0003409300000000, -0.0000478800000000, -0.0002729800000000 ] - [ 0.0010632100000000, -0.0054835900000000, -0.0017216400000000 ] - [ -0.0002711500000000, -0.0001619400000000, 0.0008164900000000 ] - [ 0.0002009200000000, 0.0007046300000000, 0.0010230000000000 ] - [ 0.0000603100000000, 0.0003128800000000, 0.0008610200000000 ] - [ 0.0003075600000000, 0.0002865600000000, -0.0001669700000000 ] - [ 0.0002701200000000, 0.0001681600000000, -0.0005760500000000 ] - [ 0.0002062300000000, -0.0002666200000000, -0.0002302700000000 ] - [ 0.0001265800000000, 0.0000892100000000, -0.0003910100000000 ] - [ 0.0000118600000000, -0.0006328800000000, 0.0007755500000000 ] - [ -0.0001024200000000, -0.0006057200000000, 0.0007162100000000 ] - [ 0.0004244800000000, -0.0003720800000000, 0.0006014600000000 ] - [ -0.0016535600000000, 0.0004375000000000, 0.0001143600000000 ] - [ 0.0000511100000000, -0.0003846900000000, -0.0003635700000000 ] - [ -0.0004000300000000, -0.0010264600000000, -0.0002966000000000 ] - [ 0.0000776200000000, -0.0002375400000000, -0.0004019700000000 ] - [ -0.0008816100000000, 0.0003027300000000, -0.0000386300000000 ] - [ 0.0001926100000000, -0.0003261400000000, 0.0003611500000000 ] - [ 0.0002338500000000, -0.0003701900000000, 0.0004796300000000 ] - [ -0.0002377400000000, -0.0000138700000000, 0.0014833000000000 ] - [ -0.0027777200000000, 0.0008561200000000, 0.0095303100000000 ] - [ -0.0023938500000000, 0.0005261300000000, 0.0012471200000000 ] - [ 0.0282123000000000, 0.0076194300000000, -0.0087522400000000 ] - [ -0.0003979700000000, -0.0001324800000000, 0.0007799100000000 ] - [ -0.0003499200000000, -0.0001239100000000, 0.0008131200000000 ] - [ -0.0001697600000000, 0.0002575000000000, -0.0009392000000000 ] - [ -0.0000703700000000, 0.0003408900000000, -0.0010028000000000 ] - [ -0.0015403600000000, 0.0000728600000000, -0.0030603700000000 ] - [ 0.0001139100000000, -0.0004314300000000, -0.0021663800000000 ] - [ 0.0001164600000000, 0.0048229500000000, -0.0012255100000000 ] - [ -0.0001791500000000, 0.0005235000000000, -0.0000272500000000 ] - [ -0.0001643500000000, -0.0006439300000000, -0.0002169600000000 ] - [ -0.0003733300000000, -0.0004732400000000, -0.0001688200000000 ] - [ 0.0015199300000000, 0.0001117200000000, 0.0001696300000000 ] - [ -0.0258455900000000, -0.0101831300000000, -0.0040624000000000 ] - [ 0.0000095100000000, -0.0000702100000000, -0.0002320600000000 ] - [ -0.0000235400000000, 0.0000105700000000, -0.0002014800000000 ] - [ -0.0001569000000000, 0.0007237600000000, 0.0009845200000000 ] - [ 0.0003798500000000, 0.0013591400000000, 0.0009997500000000 ] - [ -0.0005758700000000, -0.0001334300000000, 0.0009805500000000 ] - [ 0.0001389600000000, 0.0002907400000000, 0.0009951200000000 ] - [ -0.0001957400000000, 0.0005943400000000, -0.0010646400000000 ] - [ 0.0006867400000000, 0.0016203600000000, -0.0033167300000000 ] - [ -0.0000040800000000, -0.0000586800000000, -0.0004097500000000 ] - [ 0.0000406600000000, 0.0000561900000000, -0.0004637500000000 ] - [ -0.0000894600000000, -0.0004383000000000, 0.0003536600000000 ] - [ -0.0000627100000000, -0.0001009100000000, 0.0003202400000000 ] - [ -0.0028210900000000, 0.0063336900000000, -0.0020191000000000 ] - [ -0.0001884800000000, 0.0001494900000000, 0.0005486400000000 ] - [ 0.0003061100000000, 0.0000298600000000, -0.0010403500000000 ] - [ 0.0003601800000000, 0.0000097400000000, -0.0008310400000000 ] - [ 0.0004869300000000, 0.0012207000000000, -0.0038009800000000 ] - [ 0.0000663900000000, 0.0000922800000000, -0.0014549400000000 ] - [ -0.0002379200000000, -0.0000286300000000, -0.0001052500000000 ] - [ -0.0013286800000000, -0.0014795900000000, -0.0022405600000000 ] - [ -0.0003362100000000, -0.0000259500000000, 0.0004953900000000 ] - [ -0.0004278900000000, 0.0000251800000000, 0.0004695900000000 ]- atom: 69 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ 0.0005367800000000, -0.0005847800000000, 0.0001386800000000 ] - [ -0.0007834400000000, -0.0008156700000000, 0.0000840000000000 ] - [ 0.0125630800000000, 0.0088131700000000, -0.0051676400000000 ] - [ -0.0047845400000000, 0.0025461700000000, -0.0011638200000000 ] - [ 0.0141431800000000, 0.0006235600000000, 0.0103451000000000 ] - [ -0.0050607400000000, 0.0012689100000000, 0.0028098100000000 ] - [ 0.0005151800000000, -0.0003722100000000, -0.0001918100000000 ] - [ -0.0003406800000000, -0.0003917600000000, -0.0000848000000000 ] - [ 0.0009694000000000, 0.0004646100000000, 0.0000900100000000 ] - [ -0.0013664000000000, -0.0001986100000000, 0.0005906900000000 ] - [ 0.0009056300000000, -0.0006323300000000, -0.0002058800000000 ] - [ -0.0010465000000000, 0.0001669100000000, 0.0003949200000000 ] - [ 0.0022000500000000, 0.0017487300000000, 0.0008258800000000 ] - [ -0.0029558500000000, -0.0018897700000000, -0.0020421400000000 ] - [ 0.0005958500000000, -0.0009845800000000, 0.0001055700000000 ] - [ -0.0003627000000000, -0.0003375900000000, -0.0000914600000000 ] - [ 0.0040695900000000, 0.0011775800000000, -0.0007007300000000 ] - [ -0.0019269000000000, 0.0006728500000000, -0.0014491100000000 ] - [ 0.0008545000000000, -0.0008309200000000, -0.0003411400000000 ] - [ 0.0002035000000000, -0.0008960800000000, -0.0006317800000000 ] - [ 0.1697583600000000, 0.1308840600000000, 0.0571994000000000 ] - [ -0.0082395700000000, 0.0019969400000000, 0.0000980400000000 ] - [ 0.0008384200000000, -0.0004431400000000, -0.0006146100000000 ] - [ 0.0002339700000000, -0.0008354400000000, -0.0004412400000000 ] - [ -0.0011132500000000, 0.0003719700000000, 0.0007282900000000 ] - [ 0.0003699500000000, -0.0026789700000000, 0.0002757800000000 ] - [ -0.0061072500000000, -0.0045277500000000, -0.0012782900000000 ] - [ 0.0069222100000000, 0.0062916900000000, 0.0031124900000000 ] - [ -0.0008626500000000, 0.0002114300000000, 0.0004282300000000 ] - [ -0.0004122200000000, -0.0007547600000000, -0.0001523700000000 ] - [ -0.0020260700000000, -0.0015170900000000, 0.0009767700000000 ] - [ 0.0014979100000000, 0.0025222100000000, 0.0004250000000000 ] - [ -0.0023864500000000, 0.0004544100000000, 0.0025959400000000 ] - [ 0.0060171200000000, 0.0059479200000000, -0.0109216400000000 ] - [ -0.0000485800000000, 0.0001071200000000, -0.0004207200000000 ] - [ 0.0002513700000000, -0.0000698500000000, -0.0004774200000000 ] - [ -0.0000476700000000, -0.0011804800000000, 0.0007719400000000 ] - [ -0.0001400000000000, -0.0008011900000000, 0.0004375600000000 ] - [ 0.0013858700000000, -0.0004248900000000, 0.0003975400000000 ] - [ -0.0021967500000000, 0.0000875500000000, 0.0000586100000000 ] - [ -0.0002151300000000, -0.0022514500000000, -0.0000289300000000 ] - [ -0.0006401200000000, 0.0010863200000000, 0.0006963400000000 ] - [ 0.0009403400000000, 0.0001955400000000, 0.0001401800000000 ] - [ -0.0015861600000000, -0.0001038500000000, 0.0008985800000000 ] - [ -0.0021129300000000, 0.0027729600000000, -0.0027905800000000 ] - [ 0.0061023600000000, -0.0069618800000000, 0.0089408700000000 ] - [ -0.0004758600000000, -0.0019452700000000, -0.0006337600000000 ] - [ 0.0006348100000000, -0.0000196200000000, -0.0004790200000000 ] - [ 0.0000483600000000, -0.0008106700000000, -0.0003171100000000 ] - [ -0.0000764800000000, -0.0008174800000000, -0.0003314300000000 ] - [ 0.0002550400000000, -0.0006130000000000, -0.0005698400000000 ] - [ -0.0003561000000000, -0.0004850700000000, -0.0006613800000000 ] - [ 0.0010087900000000, -0.0002399000000000, 0.0005502200000000 ] - [ -0.0009267100000000, -0.0008962800000000, 0.0003407300000000 ] - [ 0.0002029700000000, -0.0008359000000000, 0.0003320300000000 ] - [ -0.0001775300000000, -0.0008421500000000, 0.0002414900000000 ] - [ -0.0000189400000000, 0.0010474400000000, 0.0003391000000000 ] - [ -0.0002330900000000, 0.0009524700000000, 0.0001490500000000 ] - [ 0.0000701500000000, 0.0005951000000000, 0.0003525300000000 ] - [ -0.0000414000000000, 0.0006436000000000, 0.0003198600000000 ] - [ 0.0003108500000000, 0.0015556300000000, -0.0000289900000000 ] - [ -0.0005621800000000, -0.0010474800000000, -0.0011974600000000 ] - [ 0.0001524800000000, 0.0002207600000000, -0.0004617000000000 ] - [ -0.0001569100000000, 0.0008989500000000, -0.0004205200000000 ] - [ -0.0044053400000000, -0.0009775000000000, -0.0007869400000000 ] - [ 0.0027829500000000, 0.0004209900000000, -0.0010954400000000 ] - [ -0.0000864300000000, 0.0008092200000000, -0.0008180100000000 ] - [ 0.0002347300000000, 0.0007186400000000, -0.0008006600000000 ] - [ -0.2315189400000000, -0.1669840100000000, -0.0732101400000000 ] - [ 0.0045350200000000, 0.0000150600000000, 0.0011015700000000 ] - [ 0.0000079600000000, 0.0001455600000000, 0.0008430500000000 ] - [ 0.0005314200000000, 0.0002509900000000, 0.0008455600000000 ] - [ -0.0005418000000000, 0.0010970200000000, -0.0000525900000000 ] - [ 0.0004348400000000, -0.0001959300000000, 0.0002238200000000 ] - [ -0.0031549100000000, -0.0002215300000000, 0.0010219200000000 ] - [ 0.0023669500000000, 0.0007749200000000, -0.0004253300000000 ] - [ -0.0029933200000000, -0.0007478200000000, 0.0013510200000000 ] - [ 0.0012060100000000, -0.0004820300000000, -0.0003491300000000 ] - [ -0.0003213300000000, 0.0007394900000000, -0.0003299400000000 ] - [ -0.0000499400000000, 0.0005715900000000, -0.0002630000000000 ] - [ -0.0042663400000000, -0.0007209000000000, -0.0017785100000000 ] - [ 0.0028731600000000, -0.0010210300000000, -0.0003784100000000 ] - [ -0.0004537900000000, -0.0004308900000000, -0.0008734300000000 ] - [ 0.0005499100000000, -0.0001408400000000, -0.0007274300000000 ] - [ 0.0000519700000000, 0.0009452400000000, 0.0003502200000000 ] - [ 0.0008426100000000, -0.0000116100000000, -0.0007719900000000 ] - [ -0.0014042900000000, 0.0003110600000000, -0.0013826900000000 ] - [ 0.0013029200000000, 0.0001221100000000, -0.0006454000000000 ] - [ -0.0010997700000000, 0.0001982000000000, 0.0007657700000000 ] - [ 0.0016191500000000, -0.0004119500000000, 0.0014851400000000 ] - [ -0.0002746200000000, 0.0006440900000000, 0.0007321500000000 ] - [ 0.0003817500000000, 0.0004769600000000, 0.0008505400000000 ] - [ 0.0002569100000000, -0.0013103400000000, 0.0003874300000000 ] - [ -0.0004914600000000, 0.0044080300000000, -0.0013159900000000 ] - [ 0.0007968400000000, 0.0026881900000000, 0.0010508900000000 ] - [ -0.0006876200000000, -0.0016416700000000, -0.0003603700000000 ] - [ -0.0001287300000000, -0.0003970200000000, 0.0008378400000000 ] - [ 0.0000375500000000, -0.0001815200000000, 0.0007374000000000 ] - [ 0.0014603600000000, 0.0007062400000000, 0.0022199600000000 ] - [ -0.0005506700000000, -0.0009066900000000, 0.0005491600000000 ] - [ -0.0002490800000000, -0.0004661400000000, -0.0008025400000000 ] - [ -0.0001709000000000, 0.0003170700000000, -0.0004996300000000 ] - [ -0.0002486600000000, 0.0005082400000000, -0.0010561500000000 ] - [ -0.0001726200000000, -0.0008064500000000, -0.0007805700000000 ] - [ 0.0001673500000000, 0.0000495800000000, 0.0001995000000000 ] - [ 0.0002240600000000, 0.0005373200000000, 0.0002166100000000 ] - [ 0.0021754300000000, -0.0001130800000000, -0.0018029700000000 ] - [ -0.0004954200000000, -0.0033641700000000, 0.0021955000000000 ] - [ 0.0046689700000000, -0.0010509200000000, -0.0026931700000000 ] - [ 0.0109369400000000, 0.0048005300000000, 0.0182474300000000 ] - [ -0.0004030000000000, 0.0003932100000000, 0.0005264300000000 ] - [ -0.0004279400000000, 0.0002813700000000, 0.0006125800000000 ] - [ -0.0002953200000000, 0.0002064400000000, -0.0009330900000000 ] - [ 0.0002392000000000, 0.0012142000000000, -0.0007153200000000 ] - [ 0.0102391700000000, 0.0080067500000000, 0.0027517500000000 ] - [ 0.0062483300000000, -0.0080700700000000, -0.0045436200000000 ] - [ -0.0049291200000000, 0.0029928700000000, 0.0011808600000000 ] - [ 0.0019916600000000, -0.0013329800000000, -0.0007844700000000 ] - [ -0.0005242500000000, 0.0001974900000000, -0.0000363600000000 ] - [ 0.0003532600000000, 0.0006992700000000, -0.0002195200000000 ] - [ 0.0004698300000000, -0.0008826600000000, -0.0011170600000000 ] - [ -0.0014217800000000, -0.0001270700000000, 0.0034600500000000 ] - [ 0.0000945500000000, 0.0002780200000000, -0.0002308100000000 ] - [ 0.0000004800000000, 0.0002734500000000, -0.0002541000000000 ] - [ -0.0000863000000000, -0.0000824400000000, 0.0005924800000000 ] - [ -0.0002886700000000, 0.0020573800000000, 0.0015464500000000 ] - [ 0.0010996600000000, 0.0022205700000000, 0.0006248000000000 ] - [ -0.0005425300000000, 0.0000800800000000, 0.0010673400000000 ] - [ 0.0052892700000000, -0.0038857200000000, 0.0012891900000000 ] - [ 0.0111664800000000, 0.0170407400000000, -0.0090370900000000 ] - [ 0.0000925700000000, 0.0007807600000000, -0.0004009700000000 ] - [ -0.0000764700000000, 0.0000886500000000, -0.0002430100000000 ] - [ -0.0002172700000000, 0.0003650700000000, 0.0004877200000000 ] - [ 0.0001853500000000, 0.0002157400000000, 0.0003090900000000 ] - [ -0.0008602800000000, -0.0002724800000000, 0.0005789700000000 ] - [ 0.0010828700000000, 0.0003529800000000, 0.0003807700000000 ] - [ -0.0001609200000000, 0.0007501800000000, -0.0011038200000000 ] - [ 0.0007026500000000, 0.0000195500000000, -0.0006207100000000 ] - [ -0.0025583500000000, 0.0001326300000000, -0.0008883700000000 ] - [ 0.0028786500000000, 0.0001122200000000, 0.0003404300000000 ] - [ 0.0011301800000000, -0.0016386100000000, 0.0019984800000000 ] - [ -0.0011463300000000, -0.0000349800000000, -0.0022667800000000 ] - [ -0.0003398900000000, 0.0006179100000000, 0.0010298800000000 ] - [ -0.0004358900000000, -0.0000115100000000, 0.0005117800000000 ]- atom: 69 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ -0.0007378400000000, 0.0003351700000000, 0.0001734600000000 ] - [ 0.0005736600000000, 0.0005709600000000, 0.0002272800000000 ] - [ -0.0126234400000000, -0.0086638300000000, 0.0051964000000000 ] - [ 0.0045778700000000, -0.0028008500000000, 0.0014752800000000 ] - [ -0.0137418700000000, -0.0003805400000000, -0.0101215600000000 ] - [ 0.0052658400000000, -0.0010314900000000, -0.0031324600000000 ] - [ -0.0003065700000000, 0.0006143600000000, -0.0001189700000000 ] - [ 0.0005457600000000, 0.0006335100000000, -0.0002247200000000 ] - [ -0.0011675900000000, -0.0002200500000000, 0.0002250900000000 ] - [ 0.0011583400000000, 0.0004469000000000, -0.0002796900000000 ] - [ -0.0011040500000000, 0.0008756500000000, 0.0005185600000000 ] - [ 0.0008362500000000, 0.0000739900000000, -0.0000840000000000 ] - [ -0.0019697800000000, -0.0019933200000000, -0.0011565400000000 ] - [ 0.0031606000000000, 0.0016581700000000, 0.0017351100000000 ] - [ -0.0003857900000000, 0.0007368300000000, -0.0004162600000000 ] - [ 0.0005665300000000, 0.0000914600000000, -0.0002199700000000 ] - [ -0.0030224400000000, -0.0016260000000000, -0.0002405600000000 ] - [ 0.0029846000000000, -0.0011184100000000, 0.0005003700000000 ] - [ 0.0002056500000000, 0.0003798700000000, -0.0006017800000000 ] - [ 0.0008575500000000, 0.0004440300000000, -0.0003113200000000 ] - [ -0.1737860900000000, -0.1375830400000000, -0.0613267000000000 ] - [ 0.0092835900000000, -0.0015325800000000, -0.0010361800000000 ] - [ 0.0002217800000000, 0.0008926600000000, -0.0003270100000000 ] - [ 0.0008261600000000, 0.0012797700000000, -0.0005024100000000 ] - [ 0.0000545000000000, -0.0008184000000000, 0.0002149600000000 ] - [ -0.0014446300000000, 0.0022284000000000, 0.0006799300000000 ] - [ 0.0050421300000000, 0.0040678100000000, 0.0022180900000000 ] - [ -0.0080398600000000, -0.0066881300000000, -0.0021450700000000 ] - [ -0.0001922500000000, 0.0002391600000000, 0.0005154700000000 ] - [ -0.0006605200000000, 0.0012010500000000, 0.0010834400000000 ] - [ 0.0009640900000000, 0.0019601800000000, -0.0000304000000000 ] - [ -0.0025635300000000, -0.0020692000000000, 0.0005196900000000 ] - [ 0.0025851800000000, 0.0005922200000000, -0.0035531300000000 ] - [ -0.0058795600000000, -0.0049289400000000, 0.0099824500000000 ] - [ 0.0002435200000000, 0.0009366700000000, -0.0005467500000000 ] - [ -0.0000552800000000, 0.0011146200000000, -0.0004928800000000 ] - [ -0.0001503600000000, 0.0001291200000000, 0.0001970800000000 ] - [ -0.0000553100000000, -0.0002481600000000, 0.0005320100000000 ] - [ -0.0015855300000000, -0.0006279600000000, 0.0005876900000000 ] - [ 0.0019992300000000, -0.0011347000000000, 0.0009064800000000 ] - [ -0.0000181400000000, 0.0032261400000000, 0.0010022200000000 ] - [ 0.0004542400000000, -0.0000323600000000, 0.0002738400000000 ] - [ -0.0011396200000000, 0.0008593600000000, 0.0008106200000000 ] - [ 0.0013895700000000, 0.0011456200000000, 0.0000734400000000 ] - [ 0.0023088700000000, -0.0038050000000000, 0.0018158400000000 ] - [ -0.0059681800000000, 0.0059292600000000, -0.0099426000000000 ] - [ 0.0006684500000000, 0.0008895600000000, -0.0003368400000000 ] - [ -0.0004405700000000, -0.0010292600000000, -0.0004880700000000 ] - [ -0.0000751900000000, -0.0006288600000000, -0.0003483300000000 ] - [ 0.0000490700000000, -0.0006219600000000, -0.0003339600000000 ] - [ -0.0002803800000000, -0.0008266400000000, -0.0000974500000000 ] - [ 0.0003298600000000, -0.0009545400000000, -0.0000033300000000 ] - [ -0.0009782800000000, -0.0012110500000000, 0.0001223800000000 ] - [ 0.0009545600000000, -0.0005397700000000, 0.0003245800000000 ] - [ -0.0001736900000000, -0.0006008200000000, 0.0003346600000000 ] - [ 0.0002033000000000, -0.0005981500000000, 0.0004234400000000 ] - [ 0.0000588500000000, 0.0003988900000000, 0.0003283000000000 ] - [ 0.0002607000000000, 0.0004866100000000, 0.0005167800000000 ] - [ -0.0000423200000000, 0.0008431000000000, 0.0003123400000000 ] - [ 0.0000680500000000, 0.0007951800000000, 0.0003451400000000 ] - [ -0.0003311200000000, -0.0001146300000000, -0.0006338800000000 ] - [ 0.0005317000000000, 0.0024954700000000, 0.0005416700000000 ] - [ -0.0001778800000000, 0.0012161000000000, -0.0002033700000000 ] - [ 0.0001288200000000, 0.0005391300000000, -0.0002443000000000 ] - [ 0.0045322200000000, 0.0019857800000000, -0.0008127400000000 ] - [ -0.0026541000000000, 0.0005994500000000, -0.0005530100000000 ] - [ 0.0002165100000000, 0.0002118600000000, -0.0008247300000000 ] - [ -0.0001071400000000, 0.0003029800000000, -0.0008446300000000 ] - [ 0.2366964000000000, 0.1733346000000000, 0.0777753600000000 ] - [ -0.0042320200000000, -0.0005016600000000, 0.0005500400000000 ] - [ 0.0002943700000000, -0.0006291800000000, 0.0008094300000000 ] - [ -0.0002272700000000, -0.0007333300000000, 0.0008090400000000 ] - [ 0.0005095500000000, -0.0011863400000000, 0.0006535600000000 ] - [ -0.0004702400000000, 0.0000835200000000, 0.0003886700000000 ] - [ 0.0031247200000000, 0.0000712400000000, -0.0004032200000000 ] - [ -0.0023988700000000, -0.0008776600000000, 0.0010340800000000 ] - [ 0.0026166400000000, 0.0011181700000000, -0.0017824800000000 ] - [ -0.0015824500000000, 0.0008499700000000, -0.0000762400000000 ] - [ -0.0000531200000000, -0.0003656600000000, -0.0000990800000000 ] - [ -0.0003226200000000, -0.0001987000000000, -0.0001672700000000 ] - [ 0.0044129200000000, -0.0002676200000000, 0.0001064200000000 ] - [ -0.0027471500000000, -0.0000060200000000, -0.0012659000000000 ] - [ 0.0005833000000000, -0.0005896100000000, -0.0007721300000000 ] - [ -0.0004238400000000, -0.0008765800000000, -0.0009193700000000 ] - [ 0.0007420500000000, -0.0009629500000000, -0.0016591700000000 ] - [ -0.0000520000000000, -0.0000323600000000, -0.0005588300000000 ] - [ 0.0021900500000000, -0.0003515500000000, 0.0000552700000000 ] - [ -0.0005130800000000, -0.0001612000000000, -0.0006851800000000 ] - [ 0.0014051100000000, 0.0002870700000000, 0.0008897700000000 ] - [ -0.0013175700000000, 0.0008953900000000, 0.0001684600000000 ] - [ 0.0005782900000000, -0.0001575900000000, 0.0009213000000000 ] - [ -0.0000799000000000, 0.0000120900000000, 0.0008028100000000 ] - [ 0.0001142400000000, 0.0016736100000000, 0.0000420000000000 ] - [ 0.0008760500000000, -0.0040602600000000, 0.0017520300000000 ] - [ -0.0004250800000000, -0.0023054700000000, -0.0006155300000000 ] - [ 0.0010660500000000, 0.0020146200000000, 0.0007912900000000 ] - [ -0.0000015000000000, -0.0006203400000000, 0.0008060100000000 ] - [ -0.0001654400000000, -0.0008372300000000, 0.0009066500000000 ] - [ -0.0015829500000000, -0.0017225500000000, -0.0005706900000000 ] - [ 0.0004328200000000, -0.0001118700000000, 0.0010982100000000 ] - [ -0.0000568600000000, -0.0000192000000000, -0.0008494800000000 ] - [ -0.0001263500000000, -0.0008056700000000, -0.0011514100000000 ] - [ -0.0000557500000000, -0.0009903500000000, -0.0005990600000000 ] - [ -0.0001273600000000, 0.0003204700000000, -0.0008731900000000 ] - [ 0.0002084400000000, -0.0004184100000000, 0.0002286600000000 ] - [ 0.0001535600000000, -0.0009027100000000, 0.0002139400000000 ] - [ -0.0017997200000000, -0.0002582300000000, 0.0022290200000000 ] - [ 0.0008783600000000, 0.0029993300000000, -0.0017694100000000 ] - [ -0.0054267200000000, 0.0010026200000000, 0.0039869000000000 ] - [ -0.0118637300000000, -0.0049312000000000, -0.0171763300000000 ] - [ -0.0003885000000000, -0.0004318100000000, 0.0008019300000000 ] - [ -0.0003585100000000, -0.0003191700000000, 0.0007150500000000 ] - [ -0.0000072300000000, 0.0002816900000000, -0.0007209100000000 ] - [ -0.0005395700000000, -0.0007268400000000, -0.0009400300000000 ] - [ -0.0104345700000000, -0.0074323600000000, -0.0043636600000000 ] - [ -0.0065950200000000, 0.0086348300000000, 0.0029262200000000 ] - [ 0.0046548400000000, -0.0031824500000000, -0.0015562100000000 ] - [ -0.0023668600000000, 0.0009513900000000, 0.0003529800000000 ] - [ 0.0001519700000000, -0.0005720700000000, -0.0003895300000000 ] - [ -0.0007261900000000, -0.0010637900000000, -0.0002101700000000 ] - [ -0.0004349700000000, 0.0007680400000000, 0.0005011200000000 ] - [ 0.0014703700000000, 0.0000151300000000, -0.0040940300000000 ] - [ -0.0000576200000000, -0.0003855200000000, -0.0003821600000000 ] - [ 0.0000375900000000, -0.0003803300000000, -0.0003590600000000 ] - [ -0.0000467500000000, 0.0011021200000000, 0.0010545100000000 ] - [ 0.0001826300000000, -0.0010368800000000, 0.0000905500000000 ] - [ -0.0012256100000000, -0.0011957400000000, 0.0010196300000000 ] - [ 0.0004202300000000, 0.0009393700000000, 0.0005812900000000 ] - [ -0.0052233200000000, 0.0039621300000000, -0.0018810400000000 ] - [ -0.0112669100000000, -0.0171984000000000, 0.0085418900000000 ] - [ -0.0000551200000000, -0.0006673200000000, -0.0002131900000000 ] - [ 0.0001158900000000, 0.0000224400000000, -0.0003705800000000 ] - [ 0.0001802000000000, -0.0002530300000000, 0.0001297500000000 ] - [ -0.0002248100000000, -0.0001060300000000, 0.0003057000000000 ] - [ 0.0008279700000000, 0.0003797500000000, 0.0000292000000000 ] - [ -0.0011184400000000, -0.0002410400000000, 0.0002336200000000 ] - [ 0.0009514700000000, -0.0007071900000000, -0.0002273500000000 ] - [ 0.0000824800000000, 0.0000195200000000, -0.0007075300000000 ] - [ 0.0033524200000000, -0.0001121900000000, -0.0004684500000000 ] - [ -0.0020854200000000, -0.0000695500000000, -0.0016619100000000 ] - [ -0.0019210000000000, 0.0016727800000000, -0.0006651600000000 ] - [ 0.0003669000000000, 0.0000726500000000, 0.0036037600000000 ] - [ -0.0004466900000000, -0.0005741600000000, 0.0003022600000000 ] - [ -0.0003518700000000, 0.0000543900000000, 0.0008180800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007873400000000, -0.0025820400000000, 0.0001098900000000 ] - [ -0.0008977400000000, -0.0021182500000000, 0.0000044100000000 ] - [ 0.0081762100000000, 0.0192872800000000, -0.0090377700000000 ] - [ 0.0007551900000000, 0.0023014800000000, 0.0017062500000000 ] - [ 0.0008101800000000, 0.0097326600000000, -0.0023835200000000 ] - [ -0.0010197700000000, 0.0054573300000000, 0.0002370300000000 ] - [ 0.0001982200000000, -0.0018138500000000, -0.0001625200000000 ] - [ -0.0001011500000000, -0.0017280800000000, -0.0000612500000000 ] - [ 0.0011566300000000, -0.0006864000000000, 0.0013534000000000 ] - [ -0.0011313800000000, -0.0003026600000000, 0.0009024300000000 ] - [ -0.0005767300000000, -0.0009074700000000, -0.0007587200000000 ] - [ 0.0002329400000000, -0.0004286800000000, -0.0004232800000000 ] - [ 0.0034263700000000, 0.0012376300000000, -0.0042788000000000 ] - [ -0.0014628100000000, 0.0009586700000000, -0.0014662400000000 ] - [ -0.0001306800000000, -0.0020646500000000, 0.0005975000000000 ] - [ 0.0002672500000000, -0.0015118000000000, 0.0002766100000000 ] - [ 0.0015369200000000, 0.0041456600000000, 0.0012548000000000 ] - [ 0.0003674200000000, 0.0023257300000000, -0.0000800200000000 ] - [ 0.0005587200000000, -0.0027227100000000, -0.0008165200000000 ] - [ 0.0003284000000000, -0.0022232500000000, -0.0006628200000000 ] - [ 0.1298078200000000, 0.1597444200000000, 0.0512178600000000 ] - [ 0.0006482300000000, 0.0045246700000000, -0.0017742800000000 ] - [ 0.0009676300000000, -0.0036968400000000, -0.0007199500000000 ] - [ 0.0003196500000000, -0.0024171900000000, -0.0004553700000000 ] - [ -0.0003751700000000, -0.0017938100000000, 0.0007628700000000 ] - [ -0.0015472500000000, -0.0045423800000000, 0.0019304400000000 ] - [ -0.0033398000000000, -0.0023604200000000, -0.0012671500000000 ] - [ 0.0080141900000000, -0.0076121100000000, -0.0068498500000000 ] - [ -0.0002975500000000, -0.0010941500000000, 0.0001412800000000 ] - [ -0.0023207900000000, -0.0020362400000000, -0.0021324700000000 ] - [ -0.0016797600000000, -0.0005861400000000, 0.0017310400000000 ] - [ 0.0016552000000000, 0.0014461300000000, 0.0023609300000000 ] - [ -0.0008538300000000, 0.0041037300000000, -0.0005077700000000 ] - [ 0.0024813300000000, 0.0053024200000000, -0.0026968600000000 ] - [ 0.0000487600000000, -0.0010626800000000, -0.0003793200000000 ] - [ 0.0001469000000000, -0.0016646200000000, -0.0002559500000000 ] - [ -0.0002765700000000, -0.0026389700000000, 0.0009998600000000 ] - [ -0.0000048100000000, -0.0018562000000000, 0.0006494400000000 ] - [ 0.0009035100000000, 0.0035601300000000, -0.0028558400000000 ] - [ -0.0005070800000000, 0.0013289100000000, -0.0002529300000000 ] - [ -0.0046761500000000, -0.0123626300000000, 0.0008836500000000 ] - [ 0.0008753600000000, 0.0006308900000000, 0.0003696500000000 ] - [ 0.0019170600000000, -0.0038995700000000, 0.0047365000000000 ] - [ -0.0017925400000000, -0.0005412400000000, 0.0009695700000000 ] - [ -0.0001084300000000, -0.0000240300000000, 0.0006346300000000 ] - [ -0.0019487800000000, -0.0043584200000000, 0.0066176500000000 ] - [ -0.0001282000000000, -0.0022423900000000, -0.0006960600000000 ] - [ 0.0004935600000000, -0.0028685100000000, -0.0009243400000000 ] - [ 0.0000380300000000, -0.0010649000000000, -0.0003045400000000 ] - [ -0.0000470000000000, -0.0010823400000000, -0.0003443200000000 ] - [ 0.0000295200000000, -0.0002250500000000, -0.0001719400000000 ] - [ -0.0001022200000000, -0.0001741300000000, -0.0003908100000000 ] - [ 0.0006892600000000, -0.0034297600000000, 0.0016623700000000 ] - [ -0.0006101600000000, -0.0009121200000000, 0.0002802500000000 ] - [ -0.0002279800000000, -0.0018417300000000, -0.0001522100000000 ] - [ 0.0000826700000000, -0.0010662700000000, 0.0002708800000000 ] - [ 0.0002379800000000, 0.0009370600000000, 0.0004604400000000 ] - [ -0.0000974300000000, 0.0011454300000000, 0.0003405700000000 ] - [ 0.0000637500000000, 0.0002847400000000, 0.0003314900000000 ] - [ -0.0000315800000000, 0.0004070900000000, 0.0003336700000000 ] - [ 0.0010487600000000, 0.0003662200000000, -0.0000361000000000 ] - [ -0.0007124300000000, -0.0003114000000000, -0.0006303100000000 ] - [ -0.0002237200000000, 0.0000266700000000, -0.0006178500000000 ] - [ 0.0001614000000000, 0.0001596500000000, -0.0004226000000000 ] - [ -0.0015751100000000, -0.0029021900000000, -0.0018711800000000 ] - [ 0.0006909600000000, -0.0007700400000000, -0.0008037700000000 ] - [ 0.0000528800000000, 0.0016398100000000, -0.0008206500000000 ] - [ 0.0001775400000000, 0.0012989600000000, -0.0007829700000000 ] - [ -0.1668839200000000, -0.2181247100000000, -0.0502267600000000 ] - [ 0.0004192900000000, -0.0027224400000000, 0.0009707200000000 ] - [ 0.0005491500000000, 0.0017869800000000, 0.0008821600000000 ] - [ 0.0006516400000000, 0.0011497300000000, 0.0008186800000000 ] - [ 0.0002159400000000, 0.0041465400000000, -0.0016262500000000 ] - [ 0.0000003000000000, 0.0004601900000000, 0.0001144900000000 ] - [ -0.0033752000000000, 0.0100859500000000, -0.0007256300000000 ] - [ 0.0008185700000000, 0.0006361700000000, -0.0000815500000000 ] - [ -0.0006683000000000, -0.0034223300000000, 0.0004470100000000 ] - [ 0.0000198800000000, -0.0017716600000000, -0.0000040100000000 ] - [ -0.0002336300000000, 0.0021848700000000, -0.0004851700000000 ] - [ -0.0001468800000000, 0.0016239000000000, -0.0004150300000000 ] - [ 0.0005002600000000, 0.0040365900000000, -0.0064901100000000 ] - [ 0.0006457500000000, -0.0007601200000000, -0.0012290500000000 ] - [ -0.0000136800000000, 0.0009149300000000, -0.0003654200000000 ] - [ 0.0001252000000000, 0.0002400300000000, -0.0007614000000000 ] - [ 0.0006281600000000, 0.0046134400000000, 0.0035095700000000 ] - [ 0.0004065700000000, 0.0003492800000000, -0.0002780700000000 ] - [ -0.0011553200000000, 0.0010626200000000, -0.0030794400000000 ] - [ 0.0008339700000000, 0.0001539700000000, -0.0010513900000000 ] - [ 0.0002031200000000, -0.0010502900000000, 0.0006547900000000 ] - [ 0.0008128100000000, -0.0007565100000000, 0.0008469300000000 ] - [ -0.0002419300000000, 0.0014179400000000, 0.0007597600000000 ] - [ -0.0000728200000000, 0.0011225400000000, 0.0008194500000000 ] - [ -0.0003651600000000, 0.0005182300000000, 0.0000139200000000 ] - [ 0.0010762600000000, 0.0032108100000000, -0.0008853600000000 ] - [ 0.0008055300000000, 0.0019269000000000, 0.0009274100000000 ] - [ -0.0007812300000000, 0.0022559600000000, 0.0014154500000000 ] - [ -0.0001678400000000, 0.0001881500000000, 0.0008160800000000 ] - [ 0.0001727500000000, 0.0003533000000000, 0.0007338200000000 ] - [ -0.0000067600000000, -0.0014122100000000, 0.0009949500000000 ] - [ -0.0007696700000000, -0.0018031700000000, 0.0014985500000000 ] - [ -0.0009082600000000, 0.0002609000000000, -0.0006212300000000 ] - [ 0.0004023200000000, -0.0000107800000000, -0.0002194400000000 ] - [ 0.0000661200000000, 0.0002575400000000, -0.0012088500000000 ] - [ -0.0007217800000000, -0.0000183500000000, -0.0012298600000000 ] - [ -0.0000089400000000, 0.0011817600000000, 0.0001629400000000 ] - [ 0.0006044000000000, 0.0019857600000000, 0.0002571300000000 ] - [ 0.0028311100000000, -0.0021358300000000, -0.0022606800000000 ] - [ -0.0003136400000000, -0.0029483000000000, 0.0004007400000000 ] - [ -0.0001490900000000, -0.0031452200000000, 0.0014097600000000 ] - [ 0.0017643600000000, -0.0067720700000000, 0.0041014400000000 ] - [ -0.0004275300000000, 0.0011487100000000, 0.0003425900000000 ] - [ -0.0006326300000000, 0.0014629200000000, 0.0001588900000000 ] - [ -0.0001960100000000, 0.0013364700000000, -0.0010456300000000 ] - [ 0.0008101100000000, 0.0023118100000000, -0.0009946600000000 ] - [ 0.0075898700000000, 0.0017836200000000, 0.0034495000000000 ] - [ -0.0085332400000000, -0.0001686200000000, 0.0012061200000000 ] - [ 0.0098593600000000, 0.0301980400000000, 0.0125208800000000 ] - [ 0.0001988200000000, -0.0014681700000000, -0.0000300000000000 ] - [ -0.0002579600000000, 0.0036633100000000, -0.0007096200000000 ] - [ 0.0001907400000000, 0.0015517600000000, -0.0000926600000000 ] - [ -0.0002439600000000, -0.0019677400000000, -0.0007648800000000 ] - [ -0.0005115100000000, -0.0018757200000000, -0.0002453700000000 ] - [ 0.0001675700000000, 0.0010190200000000, -0.0000899100000000 ] - [ 0.0000789100000000, 0.0012212100000000, 0.0000190200000000 ] - [ -0.0014976500000000, 0.0009044800000000, 0.0008231300000000 ] - [ 0.0030471600000000, 0.0028998200000000, 0.0014051000000000 ] - [ 0.0015458500000000, 0.0025077600000000, 0.0006997800000000 ] - [ -0.0015536100000000, 0.0016022000000000, 0.0000351900000000 ] - [ -0.0020507100000000, -0.0012096100000000, -0.0006842000000000 ] - [ 0.0135619400000000, 0.0054611900000000, -0.0055299600000000 ] - [ 0.0001061700000000, 0.0013658900000000, -0.0004609800000000 ] - [ -0.0002261200000000, 0.0016433200000000, -0.0005156400000000 ] - [ 0.0000874600000000, 0.0011942100000000, 0.0009867700000000 ] - [ 0.0000400900000000, 0.0007771000000000, 0.0004840800000000 ] - [ -0.0003528000000000, -0.0007694900000000, 0.0010791200000000 ] - [ 0.0003619000000000, -0.0003354200000000, -0.0000220100000000 ] - [ 0.0001546100000000, 0.0017408600000000, -0.0017016700000000 ] - [ 0.0004054000000000, 0.0008038100000000, -0.0010165200000000 ] - [ -0.0009238700000000, 0.0011751500000000, 0.0059355500000000 ] - [ 0.0012814600000000, -0.0004955600000000, 0.0007704500000000 ] - [ -0.0003530900000000, -0.0013815100000000, -0.0000227700000000 ] - [ 0.0001415000000000, -0.0014899700000000, -0.0026693500000000 ] - [ -0.0002926300000000, 0.0010493900000000, 0.0011393100000000 ] - [ -0.0004941400000000, 0.0012436600000000, 0.0013508200000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010007000000000, 0.0023397000000000, 0.0002023200000000 ] - [ 0.0006943700000000, 0.0018728800000000, 0.0003084200000000 ] - [ -0.0078362300000000, -0.0189689500000000, 0.0087773300000000 ] - [ -0.0009749300000000, -0.0025224500000000, -0.0013938200000000 ] - [ -0.0006421800000000, -0.0094307800000000, 0.0019672000000000 ] - [ 0.0012164700000000, -0.0052146400000000, -0.0005443700000000 ] - [ 0.0000073100000000, 0.0020553500000000, -0.0001520900000000 ] - [ 0.0003104100000000, 0.0019700900000000, -0.0002529000000000 ] - [ -0.0013669900000000, 0.0009234900000000, -0.0010407100000000 ] - [ 0.0009254100000000, 0.0005398000000000, -0.0005885200000000 ] - [ 0.0003685400000000, 0.0011583800000000, 0.0010709600000000 ] - [ -0.0004400700000000, 0.0006779800000000, 0.0007361200000000 ] - [ -0.0032321700000000, -0.0015028900000000, 0.0039787500000000 ] - [ 0.0016639300000000, -0.0012256400000000, 0.0011470200000000 ] - [ 0.0003358200000000, 0.0018169100000000, -0.0009046000000000 ] - [ -0.0000584200000000, 0.0012689700000000, -0.0005864900000000 ] - [ -0.0004840600000000, -0.0046180900000000, -0.0022035300000000 ] - [ 0.0006850600000000, -0.0027733500000000, -0.0008583200000000 ] - [ 0.0004913100000000, 0.0022756600000000, -0.0001288200000000 ] - [ 0.0007189200000000, 0.0017757800000000, -0.0002817800000000 ] - [ -0.1354629700000000, -0.1633072700000000, -0.0549688000000000 ] - [ 0.0004152500000000, -0.0040807500000000, 0.0008241600000000 ] - [ 0.0000870300000000, 0.0041352000000000, -0.0002289700000000 ] - [ 0.0007272700000000, 0.0028615400000000, -0.0004905800000000 ] - [ -0.0006742300000000, 0.0013380600000000, 0.0001797500000000 ] - [ 0.0005108400000000, 0.0040908800000000, -0.0009995200000000 ] - [ 0.0022909900000000, 0.0019236700000000, 0.0022072800000000 ] - [ -0.0089747600000000, 0.0071629700000000, 0.0077315500000000 ] - [ -0.0007535700000000, 0.0015352900000000, 0.0008046000000000 ] - [ 0.0012850500000000, 0.0024798800000000, 0.0030929900000000 ] - [ 0.0006198600000000, 0.0010325500000000, -0.0007729800000000 ] - [ -0.0026888500000000, -0.0009728100000000, -0.0014013300000000 ] - [ 0.0010401000000000, -0.0030343100000000, -0.0004702300000000 ] - [ -0.0022817300000000, -0.0042243100000000, 0.0016709900000000 ] - [ 0.0001454800000000, 0.0021039700000000, -0.0005867300000000 ] - [ 0.0000483600000000, 0.0027079500000000, -0.0007093500000000 ] - [ 0.0000841500000000, 0.0015948500000000, -0.0000317300000000 ] - [ -0.0001901200000000, 0.0008100800000000, 0.0003185700000000 ] - [ -0.0010988700000000, -0.0045754800000000, 0.0038216600000000 ] - [ 0.0003219000000000, -0.0023649100000000, 0.0012206500000000 ] - [ 0.0045107800000000, 0.0134533100000000, 0.0000627800000000 ] - [ -0.0010748700000000, 0.0004028100000000, 0.0005969800000000 ] - [ -0.0020930400000000, 0.0049278800000000, -0.0037332300000000 ] - [ 0.0015857200000000, 0.0015874300000000, -0.0000032700000000 ] - [ 0.0003065600000000, -0.0010363000000000, -0.0015965400000000 ] - [ 0.0021649700000000, 0.0033007400000000, -0.0075803400000000 ] - [ 0.0003219500000000, 0.0012009100000000, -0.0002730900000000 ] - [ -0.0002936200000000, 0.0018273800000000, -0.0000469700000000 ] - [ -0.0000645900000000, -0.0003737100000000, -0.0003638100000000 ] - [ 0.0000208100000000, -0.0003563200000000, -0.0003237800000000 ] - [ -0.0000539900000000, -0.0012109100000000, -0.0004916800000000 ] - [ 0.0000741300000000, -0.0012622300000000, -0.0002787600000000 ] - [ -0.0006683500000000, 0.0020022100000000, -0.0010066700000000 ] - [ 0.0006379000000000, -0.0005280400000000, 0.0003878400000000 ] - [ 0.0002524000000000, 0.0003975600000000, 0.0008156400000000 ] - [ -0.0000559200000000, -0.0003711300000000, 0.0003976500000000 ] - [ -0.0002009300000000, 0.0005108800000000, 0.0002136100000000 ] - [ 0.0001215800000000, 0.0002945100000000, 0.0003276200000000 ] - [ -0.0000372800000000, 0.0011536700000000, 0.0003374200000000 ] - [ 0.0000586400000000, 0.0010305500000000, 0.0003351800000000 ] - [ -0.0010811000000000, 0.0010692500000000, -0.0006354700000000 ] - [ 0.0006875000000000, 0.0017448300000000, -0.0000413400000000 ] - [ 0.0001956200000000, 0.0014096400000000, -0.0000535000000000 ] - [ -0.0001860200000000, 0.0012786200000000, -0.0002476100000000 ] - [ 0.0016870700000000, 0.0039088800000000, 0.0002531400000000 ] - [ -0.0005551100000000, 0.0017952700000000, -0.0008555300000000 ] - [ 0.0000760000000000, -0.0006082800000000, -0.0008437600000000 ] - [ -0.0000500300000000, -0.0002669000000000, -0.0008805100000000 ] - [ 0.1735341700000000, 0.2213693600000000, 0.0555067500000000 ] - [ -0.0000953500000000, 0.0022564200000000, 0.0006917000000000 ] - [ -0.0002263000000000, -0.0022468000000000, 0.0007844500000000 ] - [ -0.0003316600000000, -0.0016118200000000, 0.0008468900000000 ] - [ -0.0002593900000000, -0.0042738700000000, 0.0022590700000000 ] - [ -0.0000427000000000, -0.0005677800000000, 0.0005049200000000 ] - [ 0.0032966500000000, -0.0100321100000000, 0.0013322200000000 ] - [ -0.0008550600000000, -0.0007535200000000, 0.0007023800000000 ] - [ 0.0002853000000000, 0.0037862600000000, -0.0008844100000000 ] - [ -0.0004130900000000, 0.0021371400000000, -0.0004249400000000 ] - [ -0.0001572300000000, -0.0018146100000000, 0.0000562500000000 ] - [ -0.0002446100000000, -0.0012528300000000, -0.0000140900000000 ] - [ -0.0003799100000000, -0.0050944500000000, 0.0048731500000000 ] - [ -0.0005236300000000, -0.0002664900000000, -0.0004343300000000 ] - [ 0.0001405400000000, -0.0019432300000000, -0.0012920300000000 ] - [ 0.0000029900000000, -0.0012724000000000, -0.0009005600000000 ] - [ 0.0001562700000000, -0.0046909700000000, -0.0048710600000000 ] - [ 0.0003783400000000, -0.0003917600000000, -0.0010564100000000 ] - [ 0.0019277600000000, -0.0011103500000000, 0.0017258900000000 ] - [ -0.0000446000000000, -0.0002044200000000, -0.0002850600000000 ] - [ 0.0001147400000000, 0.0015230300000000, 0.0010080500000000 ] - [ -0.0004926300000000, 0.0012232400000000, 0.0008182800000000 ] - [ 0.0005628300000000, -0.0009560000000000, 0.0009029500000000 ] - [ 0.0003939400000000, -0.0006605500000000, 0.0008441400000000 ] - [ 0.0007578600000000, -0.0001385900000000, 0.0004169300000000 ] - [ -0.0006884000000000, -0.0028244600000000, 0.0013133400000000 ] - [ -0.0004105600000000, -0.0015618500000000, -0.0004966000000000 ] - [ 0.0011648400000000, -0.0018981000000000, -0.0009813100000000 ] - [ 0.0000411100000000, -0.0012184600000000, 0.0008480100000000 ] - [ -0.0003018400000000, -0.0013834800000000, 0.0009300200000000 ] - [ -0.0001321000000000, 0.0003656800000000, 0.0006562300000000 ] - [ 0.0006433900000000, 0.0007659900000000, 0.0001623400000000 ] - [ 0.0005893100000000, -0.0007209200000000, -0.0010453500000000 ] - [ -0.0007286700000000, -0.0004448500000000, -0.0014479200000000 ] - [ -0.0003830800000000, -0.0007231600000000, -0.0004604900000000 ] - [ 0.0003993800000000, -0.0004513500000000, -0.0004380200000000 ] - [ 0.0004015200000000, -0.0015472800000000, 0.0002645200000000 ] - [ -0.0002163700000000, -0.0023547000000000, 0.0001692500000000 ] - [ -0.0024174600000000, 0.0017477900000000, 0.0026655200000000 ] - [ 0.0007053000000000, 0.0025521800000000, 0.0000343500000000 ] - [ -0.0006517600000000, 0.0030908800000000, -0.0000598300000000 ] - [ -0.0024693000000000, 0.0067949200000000, -0.0026835400000000 ] - [ -0.0003560900000000, -0.0011940900000000, 0.0009900300000000 ] - [ -0.0001552500000000, -0.0015073900000000, 0.0011727100000000 ] - [ -0.0001222400000000, -0.0008703700000000, -0.0006177700000000 ] - [ -0.0011333800000000, -0.0018480600000000, -0.0006666300000000 ] - [ -0.0078581000000000, -0.0013333300000000, -0.0050744200000000 ] - [ 0.0081670400000000, 0.0005872400000000, -0.0028676600000000 ] - [ -0.0103911000000000, -0.0310489400000000, -0.0132365300000000 ] - [ -0.0005900600000000, 0.0011092600000000, -0.0003969900000000 ] - [ -0.0001337000000000, -0.0040134300000000, 0.0002726300000000 ] - [ -0.0005802100000000, -0.0019201200000000, -0.0003359700000000 ] - [ 0.0002858000000000, 0.0018526500000000, 0.0001443600000000 ] - [ 0.0005535500000000, 0.0017703500000000, -0.0003506700000000 ] - [ -0.0001248700000000, -0.0011303600000000, -0.0005304000000000 ] - [ -0.0000385100000000, -0.0013339700000000, -0.0006393500000000 ] - [ 0.0013782300000000, 0.0001300600000000, 0.0008401600000000 ] - [ -0.0031976500000000, -0.0018706000000000, 0.0002604200000000 ] - [ -0.0016623300000000, -0.0014682200000000, 0.0009659200000000 ] - [ 0.0014124200000000, -0.0005718600000000, 0.0016230800000000 ] - [ 0.0020830500000000, 0.0013368500000000, 0.0000649300000000 ] - [ -0.0136574300000000, -0.0053246600000000, 0.0049346500000000 ] - [ -0.0000628600000000, -0.0012530300000000, -0.0001561500000000 ] - [ 0.0002652100000000, -0.0015307500000000, -0.0001002600000000 ] - [ -0.0001279300000000, -0.0010805000000000, -0.0003717700000000 ] - [ -0.0000807200000000, -0.0006619400000000, 0.0001352100000000 ] - [ 0.0003100900000000, 0.0008692200000000, -0.0004590700000000 ] - [ -0.0004028900000000, 0.0004424500000000, 0.0006347800000000 ] - [ 0.0006297000000000, -0.0016930300000000, 0.0003705300000000 ] - [ 0.0003791800000000, -0.0007540000000000, -0.0003171300000000 ] - [ 0.0017027500000000, -0.0011301000000000, -0.0072093500000000 ] - [ -0.0004950600000000, 0.0005378400000000, -0.0020986800000000 ] - [ -0.0004360400000000, 0.0014363400000000, 0.0013522400000000 ] - [ -0.0009268600000000, 0.0015456900000000, 0.0040080700000000 ] - [ -0.0004918700000000, -0.0010019200000000, 0.0001961600000000 ] - [ -0.0002921900000000, -0.0011968600000000, -0.0000148200000000 ]- atom: 69 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ 0.0001729900000000, -0.0004709800000000, 0.0003876200000000 ] - [ -0.0002890300000000, -0.0003439200000000, 0.0003955900000000 ] - [ -0.0050303100000000, -0.0088208700000000, 0.0167219800000000 ] - [ -0.0018498700000000, 0.0018116800000000, 0.0025682200000000 ] - [ 0.0119506600000000, -0.0029156200000000, 0.0256901900000000 ] - [ 0.0018673300000000, -0.0003122500000000, -0.0004793600000000 ] - [ 0.0000989800000000, 0.0001439200000000, -0.0000569700000000 ] - [ 0.0000988300000000, 0.0001303100000000, -0.0001002000000000 ] - [ -0.0003559700000000, 0.0012125800000000, -0.0014336700000000 ] - [ 0.0000269900000000, 0.0005369400000000, -0.0007775400000000 ] - [ -0.0004138400000000, -0.0011770000000000, -0.0010600000000000 ] - [ -0.0000643800000000, -0.0002875200000000, -0.0005290000000000 ] - [ 0.0024692900000000, -0.0032755700000000, -0.0034062500000000 ] - [ -0.0017888400000000, -0.0022825000000000, -0.0016713400000000 ] - [ 0.0002371000000000, 0.0003787600000000, -0.0004944300000000 ] - [ -0.0000126700000000, 0.0001206600000000, -0.0002125700000000 ] - [ 0.0022769000000000, 0.0004918800000000, -0.0070303700000000 ] - [ -0.0006050300000000, -0.0005302700000000, -0.0040238900000000 ] - [ 0.0005624200000000, -0.0001910500000000, -0.0008476100000000 ] - [ 0.0005010900000000, -0.0002036200000000, -0.0007918100000000 ] - [ 0.0576215900000000, 0.0517765900000000, 0.0618773800000000 ] - [ 0.0004360600000000, -0.0010508300000000, 0.0046696600000000 ] - [ 0.0003200400000000, 0.0004030800000000, -0.0000643400000000 ] - [ 0.0005207700000000, 0.0004174500000000, -0.0001543900000000 ] - [ -0.0008410100000000, 0.0006642900000000, 0.0011117000000000 ] - [ -0.0013076200000000, 0.0011432400000000, 0.0023668400000000 ] - [ -0.0018534100000000, -0.0020547700000000, 0.0008710700000000 ] - [ 0.0029402700000000, -0.0073000000000000, 0.0043524500000000 ] - [ -0.0004427800000000, 0.0000737400000000, 0.0001532200000000 ] - [ -0.0008815300000000, -0.0003967400000000, -0.0006798700000000 ] - [ 0.0003439700000000, 0.0015240700000000, -0.0014008200000000 ] - [ -0.0002070400000000, 0.0024940000000000, -0.0026027900000000 ] - [ 0.0005631200000000, -0.0001117700000000, -0.0022346800000000 ] - [ -0.0039441400000000, 0.0028451700000000, -0.0098462400000000 ] - [ 0.0001077400000000, 0.0004656700000000, -0.0005510900000000 ] - [ 0.0001034900000000, 0.0003008500000000, -0.0005292500000000 ] - [ -0.0000970700000000, -0.0004623400000000, 0.0000011600000000 ] - [ -0.0001284100000000, -0.0004570800000000, 0.0002172600000000 ] - [ 0.0016642000000000, -0.0013011000000000, -0.0048051600000000 ] - [ -0.0021997400000000, -0.0009253200000000, -0.0003862800000000 ] - [ -0.0026624600000000, -0.0054331600000000, 0.0004515900000000 ] - [ 0.0001163400000000, 0.0002725500000000, 0.0009052500000000 ] - [ -0.0005518800000000, 0.0014860000000000, 0.0020411700000000 ] - [ 0.0008623400000000, 0.0002598800000000, 0.0012959400000000 ] - [ -0.0008002700000000, 0.0010662400000000, -0.0001343300000000 ] - [ 0.0034104600000000, 0.0026370600000000, -0.0030082800000000 ] - [ 0.0000060800000000, -0.0011534500000000, -0.0003871400000000 ] - [ 0.0000309800000000, -0.0013247500000000, -0.0004173600000000 ] - [ -0.0000069400000000, -0.0007223000000000, -0.0003999600000000 ] - [ -0.0000211400000000, -0.0007419900000000, -0.0004186200000000 ] - [ -0.0000015000000000, -0.0007201300000000, -0.0015680000000000 ] - [ -0.0001819500000000, -0.0005361000000000, -0.0011654700000000 ] - [ -0.0000478900000000, 0.0008479800000000, 0.0021424300000000 ] - [ 0.0002795600000000, -0.0004781000000000, 0.0006287000000000 ] - [ 0.0000444500000000, -0.0007480500000000, 0.0005885600000000 ] - [ 0.0000459700000000, -0.0008133300000000, 0.0004217000000000 ] - [ 0.0016125800000000, 0.0019187500000000, -0.0006660800000000 ] - [ -0.0002741500000000, 0.0008106500000000, -0.0001943100000000 ] - [ 0.0000222000000000, 0.0006922000000000, 0.0002647400000000 ] - [ -0.0000069300000000, 0.0007145900000000, 0.0002865800000000 ] - [ 0.0003344800000000, 0.0008547700000000, 0.0003003300000000 ] - [ -0.0001267000000000, 0.0013449700000000, 0.0008348300000000 ] - [ -0.0000358800000000, 0.0007099100000000, 0.0000247100000000 ] - [ -0.0000206100000000, 0.0006142300000000, -0.0001085300000000 ] - [ -0.0010224000000000, -0.0014196000000000, 0.0104131800000000 ] - [ 0.0004247300000000, 0.0004328400000000, -0.0002299400000000 ] - [ 0.0000564700000000, 0.0005924700000000, -0.0007754800000000 ] - [ 0.0000824500000000, 0.0005282500000000, -0.0007947300000000 ] - [ -0.0747494000000000, -0.0522944500000000, -0.1139748600000000 ] - [ 0.0004177600000000, -0.0000973300000000, -0.0009820800000000 ] - [ 0.0001741500000000, -0.0001849000000000, 0.0006296500000000 ] - [ 0.0001749100000000, -0.0002483800000000, 0.0006869700000000 ] - [ 0.0001548100000000, 0.0016449000000000, -0.0019660700000000 ] - [ -0.0000085100000000, -0.0000244600000000, -0.0002744800000000 ] - [ 0.0007893800000000, -0.0000126200000000, -0.0031912300000000 ] - [ 0.0004070000000000, 0.0006409000000000, -0.0007394000000000 ] - [ -0.0023661300000000, -0.0002803000000000, 0.0052585200000000 ] - [ 0.0002610100000000, 0.0000453700000000, 0.0007359500000000 ] - [ -0.0001896200000000, 0.0001283500000000, -0.0000503900000000 ] - [ -0.0001693600000000, 0.0001328500000000, -0.0001019300000000 ] - [ -0.0015422300000000, -0.0065346000000000, 0.0016956600000000 ] - [ 0.0003235500000000, -0.0009130600000000, -0.0008241000000000 ] - [ 0.0000772300000000, -0.0001811400000000, -0.0010288200000000 ] - [ 0.0000939500000000, -0.0003222100000000, -0.0008647100000000 ] - [ 0.0006440400000000, 0.0014576800000000, 0.0006184000000000 ] - [ 0.0005452100000000, 0.0001326400000000, -0.0006649900000000 ] - [ 0.0010752500000000, -0.0015583800000000, -0.0003897800000000 ] - [ 0.0002022400000000, -0.0003756000000000, -0.0007552400000000 ] - [ 0.0001037000000000, 0.0004028200000000, 0.0032664400000000 ] - [ 0.0008161600000000, 0.0002195200000000, 0.0022065200000000 ] - [ 0.0000651500000000, 0.0003066600000000, 0.0012466800000000 ] - [ 0.0001814600000000, 0.0002470100000000, 0.0010521100000000 ] - [ 0.0003767800000000, -0.0009978000000000, -0.0001693800000000 ] - [ -0.0004773100000000, -0.0021143800000000, 0.0000496500000000 ] - [ 0.0003950700000000, 0.0011263200000000, 0.0001591300000000 ] - [ -0.0001208500000000, 0.0014377700000000, -0.0001634500000000 ] - [ -0.0000349000000000, -0.0005851700000000, 0.0009443600000000 ] - [ -0.0000751100000000, -0.0005580600000000, 0.0010068200000000 ] - [ 0.0021823200000000, 0.0016181400000000, 0.0030824600000000 ] - [ -0.0010275800000000, -0.0003667800000000, 0.0021598500000000 ] - [ -0.0003847300000000, 0.0001397900000000, 0.0000095900000000 ] - [ -0.0001088800000000, 0.0001582900000000, -0.0000229400000000 ] - [ -0.0001324100000000, -0.0004469600000000, 0.0000102500000000 ] - [ 0.0001682400000000, -0.0008433000000000, -0.0000231600000000 ] - [ 0.0001610000000000, -0.0001202800000000, 0.0002967000000000 ] - [ 0.0003403000000000, 0.0001549400000000, 0.0003279200000000 ] - [ -0.0013792700000000, -0.0007206200000000, 0.0022553600000000 ] - [ 0.0013588000000000, -0.0031825500000000, 0.0022522100000000 ] - [ -0.0036982400000000, 0.0008333100000000, 0.0003388700000000 ] - [ 0.0157700600000000, 0.0056375700000000, 0.0089767200000000 ] - [ -0.0004483200000000, -0.0000716800000000, 0.0006108400000000 ] - [ -0.0003719500000000, -0.0000249100000000, 0.0005725000000000 ] - [ -0.0002653600000000, 0.0000212400000000, -0.0011124200000000 ] - [ -0.0000465500000000, 0.0000694100000000, -0.0012681100000000 ] - [ 0.0033500800000000, 0.0044667600000000, -0.0053888100000000 ] - [ -0.0039127500000000, 0.0022900400000000, -0.0038042700000000 ] - [ 0.0046266400000000, 0.0171274600000000, -0.0014187400000000 ] - [ 0.0000491300000000, 0.0001284700000000, -0.0013901800000000 ] - [ -0.0001355500000000, -0.0005328600000000, -0.0006177000000000 ] - [ -0.0004554900000000, -0.0003397000000000, -0.0004601900000000 ] - [ -0.0003273600000000, 0.0004795900000000, 0.0017458000000000 ] - [ 0.0003516000000000, 0.0012041500000000, 0.0047108400000000 ] - [ -0.0000283400000000, -0.0000647300000000, -0.0001513000000000 ] - [ -0.0000187800000000, -0.0000224500000000, -0.0001290000000000 ] - [ -0.0006054500000000, 0.0007573500000000, 0.0004018100000000 ] - [ 0.0014288600000000, 0.0014281500000000, 0.0000522000000000 ] - [ -0.0010952500000000, -0.0004289600000000, 0.0003661600000000 ] - [ 0.0002072200000000, 0.0004029400000000, 0.0003029200000000 ] - [ 0.0026945000000000, -0.0012177000000000, -0.0028181800000000 ] - [ -0.0095376300000000, -0.0077343600000000, -0.0039323300000000 ] - [ 0.0000097300000000, 0.0001642300000000, -0.0006306400000000 ] - [ 0.0000726400000000, 0.0002754200000000, -0.0006588200000000 ] - [ -0.0001659000000000, 0.0001851600000000, 0.0009015700000000 ] - [ -0.0000933900000000, 0.0000987600000000, 0.0005701100000000 ] - [ -0.0001738500000000, 0.0002274400000000, 0.0038967500000000 ] - [ 0.0003638600000000, 0.0003755000000000, 0.0017608900000000 ] - [ 0.0004549800000000, -0.0005019500000000, -0.0006816400000000 ] - [ 0.0004590400000000, -0.0002434200000000, -0.0005780000000000 ] - [ -0.0019811400000000, 0.0051988900000000, 0.0040799700000000 ] - [ 0.0007678400000000, 0.0003618300000000, -0.0004517500000000 ] - [ 0.0017041000000000, -0.0016546100000000, 0.0024106400000000 ] - [ -0.0011005500000000, -0.0000964700000000, 0.0027252400000000 ] - [ -0.0003294300000000, 0.0002105700000000, 0.0008460200000000 ] - [ -0.0003817200000000, 0.0002027500000000, 0.0009121100000000 ]- atom: 69 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ -0.0003747900000000, 0.0002197600000000, -0.0000744500000000 ] - [ 0.0000763800000000, 0.0000933100000000, -0.0000836900000000 ] - [ 0.0051741500000000, 0.0090284600000000, -0.0165960200000000 ] - [ 0.0016257000000000, -0.0020465800000000, -0.0022733300000000 ] - [ -0.0107970500000000, 0.0030898200000000, -0.0247533400000000 ] - [ -0.0016818400000000, 0.0005672400000000, 0.0001958400000000 ] - [ 0.0001108100000000, 0.0000954300000000, -0.0002557600000000 ] - [ 0.0001062200000000, 0.0001091400000000, -0.0002116900000000 ] - [ 0.0001539700000000, -0.0009581200000000, 0.0017472000000000 ] - [ -0.0002416100000000, -0.0002908900000000, 0.0010967400000000 ] - [ 0.0002065300000000, 0.0014038300000000, 0.0013715900000000 ] - [ -0.0001450300000000, 0.0005268700000000, 0.0008459900000000 ] - [ -0.0022538500000000, 0.0030516600000000, 0.0030701900000000 ] - [ 0.0019847900000000, 0.0020423100000000, 0.0013449600000000 ] - [ -0.0000266500000000, -0.0006299500000000, 0.0001790500000000 ] - [ 0.0002186200000000, -0.0003685200000000, -0.0001025000000000 ] - [ -0.0011904100000000, -0.0008917700000000, 0.0060818000000000 ] - [ 0.0016322200000000, 0.0000914900000000, 0.0030599700000000 ] - [ 0.0004896100000000, -0.0002644300000000, -0.0000967300000000 ] - [ 0.0005467700000000, -0.0002501700000000, -0.0001538600000000 ] - [ -0.0569434600000000, -0.0516497800000000, -0.0619559400000000 ] - [ 0.0006064800000000, 0.0015015600000000, -0.0056088100000000 ] - [ 0.0007289600000000, 0.0000398300000000, -0.0008800000000000 ] - [ 0.0005270400000000, 0.0000225100000000, -0.0007906100000000 ] - [ -0.0002111200000000, -0.0011094000000000, -0.0001621800000000 ] - [ 0.0002616300000000, -0.0016073300000000, -0.0014148800000000 ] - [ 0.0007853900000000, 0.0015945100000000, 0.0000762700000000 ] - [ -0.0039471400000000, 0.0068833300000000, -0.0033348400000000 ] - [ -0.0006083000000000, 0.0003744300000000, 0.0007877300000000 ] - [ -0.0001754100000000, 0.0008393300000000, 0.0016078000000000 ] - [ -0.0014001200000000, -0.0010860600000000, 0.0023389100000000 ] - [ -0.0008286900000000, -0.0020557700000000, 0.0035375500000000 ] - [ -0.0003768000000000, 0.0011644500000000, 0.0012542300000000 ] - [ 0.0041970200000000, -0.0017783300000000, 0.0088476600000000 ] - [ 0.0000857600000000, 0.0005739000000000, -0.0004175900000000 ] - [ 0.0000912900000000, 0.0007365400000000, -0.0004400300000000 ] - [ -0.0000970000000000, -0.0005865500000000, 0.0009690500000000 ] - [ -0.0000659900000000, -0.0005885700000000, 0.0007511300000000 ] - [ -0.0018340600000000, 0.0002392800000000, 0.0057575900000000 ] - [ 0.0019730300000000, -0.0001202400000000, 0.0013559200000000 ] - [ 0.0024475600000000, 0.0063964600000000, 0.0005285300000000 ] - [ -0.0003083900000000, 0.0007717000000000, 0.0000618400000000 ] - [ 0.0003585300000000, -0.0004410500000000, -0.0010962400000000 ] - [ -0.0010629700000000, 0.0007792600000000, -0.0003298100000000 ] - [ 0.0009764800000000, -0.0020916500000000, -0.0008105200000000 ] - [ -0.0031674800000000, -0.0037143400000000, 0.0021250800000000 ] - [ 0.0001859200000000, 0.0001025000000000, -0.0005799500000000 ] - [ 0.0001655800000000, 0.0002811500000000, -0.0005478000000000 ] - [ -0.0000189100000000, -0.0007163400000000, -0.0002693800000000 ] - [ -0.0000056600000000, -0.0006969500000000, -0.0002504700000000 ] - [ -0.0000273200000000, -0.0007188700000000, 0.0008902200000000 ] - [ 0.0001548200000000, -0.0009016800000000, 0.0004956600000000 ] - [ 0.0000784700000000, -0.0022955100000000, -0.0014602600000000 ] - [ -0.0002576500000000, -0.0009620400000000, 0.0000399600000000 ] - [ -0.0000165600000000, -0.0006888500000000, 0.0000829800000000 ] - [ -0.0000201300000000, -0.0006256200000000, 0.0002465600000000 ] - [ -0.0016000300000000, -0.0004872000000000, 0.0013079000000000 ] - [ 0.0002999300000000, 0.0006284500000000, 0.0008611900000000 ] - [ 0.0000048600000000, 0.0007448700000000, 0.0004032100000000 ] - [ 0.0000330500000000, 0.0007229200000000, 0.0003819100000000 ] - [ -0.0003550600000000, 0.0005825800000000, -0.0009652400000000 ] - [ 0.0000952800000000, 0.0000839200000000, -0.0015068700000000 ] - [ 0.0000109400000000, 0.0007258500000000, -0.0006944400000000 ] - [ -0.0000071800000000, 0.0008252800000000, -0.0005599800000000 ] - [ 0.0011444200000000, 0.0024629000000000, -0.0122394400000000 ] - [ -0.0002939200000000, 0.0005964000000000, -0.0014289400000000 ] - [ 0.0000706500000000, 0.0004428400000000, -0.0008861300000000 ] - [ 0.0000459900000000, 0.0005056200000000, -0.0008676800000000 ] - [ 0.0741596000000000, 0.0517400900000000, 0.1138017800000000 ] - [ -0.0000855900000000, -0.0003708500000000, 0.0026468400000000 ] - [ 0.0001444200000000, -0.0002763900000000, 0.0010328000000000 ] - [ 0.0001456700000000, -0.0002132100000000, 0.0009757600000000 ] - [ -0.0001967900000000, -0.0017432300000000, 0.0025740600000000 ] - [ -0.0000312300000000, -0.0000863500000000, 0.0008902900000000 ] - [ -0.0008335500000000, -0.0001313900000000, 0.0038150200000000 ] - [ -0.0004379900000000, -0.0007509100000000, 0.0013554800000000 ] - [ 0.0019445200000000, 0.0006413000000000, -0.0056610600000000 ] - [ -0.0006402600000000, 0.0003186300000000, -0.0011657100000000 ] - [ -0.0002025300000000, 0.0002470300000000, -0.0003802900000000 ] - [ -0.0002214900000000, 0.0002406500000000, -0.0003284100000000 ] - [ 0.0016438000000000, 0.0054600700000000, -0.0033615800000000 ] - [ -0.0001839800000000, -0.0001191200000000, -0.0008444300000000 ] - [ 0.0000479000000000, -0.0008490600000000, -0.0006385000000000 ] - [ 0.0000354200000000, -0.0007061600000000, -0.0007973700000000 ] - [ 0.0001414400000000, -0.0014790000000000, -0.0019284600000000 ] - [ 0.0002399700000000, -0.0001791000000000, -0.0006664800000000 ] - [ -0.0002948800000000, 0.0015179300000000, -0.0009363600000000 ] - [ 0.0005866500000000, 0.0003302200000000, -0.0005756700000000 ] - [ 0.0002123500000000, 0.0000473500000000, -0.0015989300000000 ] - [ -0.0004882100000000, 0.0002393200000000, -0.0005380500000000 ] - [ 0.0002509300000000, 0.0001655100000000, 0.0004170600000000 ] - [ 0.0001376300000000, 0.0002229400000000, 0.0006117700000000 ] - [ 0.0000155600000000, 0.0013597500000000, 0.0005933600000000 ] - [ 0.0008627200000000, 0.0025102000000000, 0.0003648400000000 ] - [ -0.0000001400000000, -0.0007485400000000, 0.0002704300000000 ] - [ 0.0005058200000000, -0.0010749400000000, 0.0005831100000000 ] - [ -0.0000920900000000, -0.0004460800000000, 0.0007202500000000 ] - [ -0.0000516000000000, -0.0004710500000000, 0.0006555100000000 ] - [ -0.0022792900000000, -0.0026207500000000, -0.0013975500000000 ] - [ 0.0008874700000000, -0.0006627300000000, -0.0005018600000000 ] - [ 0.0000656800000000, -0.0006083600000000, -0.0016685300000000 ] - [ -0.0002074900000000, -0.0006258900000000, -0.0016354600000000 ] - [ -0.0001852400000000, -0.0000127500000000, -0.0016708700000000 ] - [ -0.0004905800000000, 0.0003822300000000, -0.0016380600000000 ] - [ 0.0002296000000000, -0.0002466100000000, 0.0001339000000000 ] - [ 0.0000527900000000, -0.0005173100000000, 0.0001034500000000 ] - [ 0.0017770800000000, 0.0003485100000000, -0.0018225100000000 ] - [ -0.0009774600000000, 0.0028071500000000, -0.0018113600000000 ] - [ 0.0029199700000000, -0.0008899200000000, 0.0010051500000000 ] - [ -0.0167132200000000, -0.0057367700000000, -0.0076312200000000 ] - [ -0.0003360100000000, 0.0000286200000000, 0.0007218800000000 ] - [ -0.0004130600000000, -0.0000190800000000, 0.0007603200000000 ] - [ -0.0000539600000000, 0.0004462700000000, -0.0005535500000000 ] - [ -0.0002683500000000, 0.0004048400000000, -0.0003965100000000 ] - [ -0.0036549500000000, -0.0039841300000000, 0.0036909300000000 ] - [ 0.0036226900000000, -0.0018664500000000, 0.0020981000000000 ] - [ -0.0049933800000000, -0.0174512000000000, 0.0010754300000000 ] - [ -0.0004345900000000, -0.0005015400000000, 0.0009591600000000 ] - [ -0.0002579100000000, 0.0001616800000000, 0.0001926300000000 ] - [ 0.0000660600000000, -0.0000244200000000, 0.0000309200000000 ] - [ 0.0003729800000000, -0.0005972600000000, -0.0023545400000000 ] - [ -0.0003294500000000, -0.0013277100000000, -0.0053109600000000 ] - [ 0.0000695400000000, -0.0000435200000000, -0.0004657300000000 ] - [ 0.0000581800000000, -0.0000850400000000, -0.0004872900000000 ] - [ 0.0004720300000000, 0.0002742700000000, 0.0012590100000000 ] - [ -0.0015415200000000, -0.0003811700000000, 0.0016148500000000 ] - [ 0.0009733200000000, 0.0014706300000000, 0.0012973600000000 ] - [ -0.0003344600000000, 0.0006252900000000, 0.0013630700000000 ] - [ -0.0026499000000000, 0.0013201500000000, 0.0021706600000000 ] - [ 0.0096113600000000, 0.0079057000000000, 0.0032292500000000 ] - [ 0.0000317100000000, -0.0000475400000000, 0.0000111000000000 ] - [ -0.0000322100000000, -0.0001609700000000, 0.0000390500000000 ] - [ 0.0001248100000000, -0.0000712700000000, -0.0002793300000000 ] - [ 0.0000541600000000, 0.0000139800000000, 0.0000485400000000 ] - [ 0.0001263900000000, -0.0001040400000000, -0.0032697900000000 ] - [ -0.0003950200000000, -0.0002589700000000, -0.0011380200000000 ] - [ 0.0003258200000000, 0.0005536600000000, -0.0006571000000000 ] - [ 0.0003274200000000, 0.0002912100000000, -0.0007568700000000 ] - [ 0.0027375100000000, -0.0050796900000000, -0.0053792600000000 ] - [ 0.0000279600000000, -0.0003133100000000, -0.0008871600000000 ] - [ -0.0024632500000000, 0.0016712800000000, -0.0010695900000000 ] - [ 0.0003062800000000, 0.0001315800000000, -0.0014215800000000 ] - [ -0.0004538200000000, -0.0001593300000000, 0.0004892300000000 ] - [ -0.0004040000000000, -0.0001540100000000, 0.0004208500000000 ]- atom: 73 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ 0.0046665400000000, -0.0004532800000000, -0.0005997500000000 ] - [ -0.0041189800000000, -0.0025750700000000, -0.0030490100000000 ] - [ -0.0000360600000000, -0.0001449700000000, 0.0002077400000000 ] - [ -0.0002190300000000, 0.0000716000000000, 0.0001470100000000 ] - [ 0.0001728200000000, -0.0004595300000000, -0.0003100300000000 ] - [ -0.0004164200000000, 0.0007395700000000, -0.0001380800000000 ] - [ 0.0006042500000000, 0.0018311600000000, -0.0017291200000000 ] - [ -0.0020364200000000, -0.0024814300000000, 0.0017372700000000 ] - [ 0.0003838900000000, -0.0002174200000000, -0.0016088300000000 ] - [ -0.0024825400000000, 0.0000676000000000, 0.0023585500000000 ] - [ -0.0000379300000000, 0.0002557400000000, 0.0001588400000000 ] - [ -0.0001949000000000, 0.0001221000000000, 0.0002393500000000 ] - [ 0.0003788700000000, -0.0013571800000000, 0.0012652900000000 ] - [ -0.0017356200000000, 0.0017723400000000, -0.0027349400000000 ] - [ 0.0002020300000000, 0.0004188600000000, 0.0000937000000000 ] - [ -0.0000443200000000, -0.0001602500000000, -0.0001913600000000 ] - [ 0.0024001000000000, -0.0000941200000000, 0.0001047700000000 ] - [ -0.0006605900000000, 0.0000097400000000, -0.0008921100000000 ] - [ 0.0012456100000000, -0.0000670100000000, -0.0001305500000000 ] - [ -0.0001714900000000, -0.0002594100000000, -0.0001420200000000 ] - [ 0.0039446600000000, 0.0001236000000000, -0.0021940900000000 ] - [ -0.0008530700000000, -0.0000533300000000, 0.0000393100000000 ] - [ 0.0039671700000000, 0.0003163400000000, -0.0006275500000000 ] - [ -0.0016437600000000, 0.0005869400000000, -0.0013136800000000 ] - [ -0.0071752600000000, -0.0013075800000000, -0.0007988100000000 ] - [ 0.1008050200000000, 0.0306934700000000, -0.0737602100000000 ] - [ -0.0007519900000000, -0.0001652000000000, 0.0003875000000000 ] - [ -0.0002147000000000, -0.0001038700000000, 0.0003975300000000 ] - [ -0.0026120200000000, -0.0008566700000000, 0.0012365400000000 ] - [ 0.0030858600000000, 0.0000907300000000, 0.0002436900000000 ] - [ -0.0006884400000000, 0.0003826000000000, 0.0005032400000000 ] - [ -0.0003344500000000, 0.0004382400000000, 0.0005334000000000 ] - [ -0.0002875100000000, 0.0004180500000000, -0.0003029800000000 ] - [ 0.0005275000000000, 0.0009014200000000, -0.0004521500000000 ] - [ -0.0012431900000000, 0.0014406700000000, 0.0002743700000000 ] - [ 0.0017694500000000, -0.0000026400000000, -0.0007099300000000 ] - [ 0.0017109700000000, -0.0003432800000000, 0.0001867500000000 ] - [ -0.0010368900000000, -0.0003649900000000, 0.0004502000000000 ] - [ 0.0000598900000000, -0.0003562700000000, 0.0004907900000000 ] - [ -0.0002281300000000, -0.0004014600000000, 0.0004879500000000 ] - [ 0.0582686500000000, -0.0144732300000000, 0.0160497800000000 ] - [ -0.0054874900000000, 0.0005570100000000, 0.0002533000000000 ] - [ 0.0001187900000000, 0.0008269400000000, 0.0004554300000000 ] - [ -0.0002348600000000, 0.0006696100000000, 0.0004899700000000 ] - [ -0.0018654200000000, -0.0025104400000000, -0.0010668500000000 ] - [ 0.0075202000000000, 0.0077949300000000, 0.0006200400000000 ] - [ -0.0004000700000000, -0.0001886600000000, -0.0006766400000000 ] - [ 0.0006156600000000, -0.0008030900000000, -0.0003148200000000 ] - [ 0.0001059400000000, -0.0006311500000000, -0.0001712500000000 ] - [ -0.0003014800000000, -0.0008498300000000, -0.0002980900000000 ] - [ 0.0000070900000000, -0.0007215200000000, -0.0003337000000000 ] - [ -0.0000380100000000, -0.0006262600000000, -0.0003295300000000 ] - [ 0.0015280600000000, -0.0065658400000000, -0.0027146900000000 ] - [ -0.0008102300000000, -0.0005582000000000, 0.0002517300000000 ] - [ 0.0000378900000000, -0.0006183400000000, 0.0003039200000000 ] - [ -0.0000111700000000, -0.0007593900000000, 0.0002746400000000 ] - [ 0.0000095100000000, 0.0007410700000000, 0.0003615400000000 ] - [ -0.0000030700000000, 0.0007908700000000, 0.0003112100000000 ] - [ 0.0000943200000000, 0.0007266800000000, 0.0006255600000000 ] - [ -0.0000656100000000, 0.0007048700000000, 0.0003549900000000 ] - [ -0.0026075000000000, -0.0018017900000000, -0.0004950700000000 ] - [ -0.0026040700000000, 0.0038346800000000, 0.0010610800000000 ] - [ -0.0000078000000000, 0.0008045400000000, -0.0003466600000000 ] - [ -0.0000379500000000, 0.0006642200000000, -0.0003860300000000 ] - [ -0.0002034900000000, 0.0005561300000000, -0.0009013900000000 ] - [ 0.0003765600000000, 0.0003161000000000, -0.0008850300000000 ] - [ -0.0013703600000000, -0.0001288000000000, -0.0015738700000000 ] - [ 0.0009788400000000, 0.0006483700000000, -0.0006730300000000 ] - [ -0.0003731600000000, -0.0000075600000000, 0.0009999100000000 ] - [ 0.0006101400000000, -0.0002142600000000, 0.0008440400000000 ] - [ -0.0029910600000000, -0.0035661000000000, 0.0016270200000000 ] - [ 0.0025406300000000, 0.0005982100000000, 0.0012642200000000 ] - [ -0.1874474100000000, -0.0042120300000000, 0.0668415300000000 ] - [ 0.0030416300000000, 0.0000113800000000, 0.0000378500000000 ] - [ -0.0001299500000000, -0.0001711100000000, 0.0004034000000000 ] - [ 0.0000801900000000, -0.0001218200000000, 0.0003590100000000 ] - [ -0.0006855700000000, 0.0000123300000000, -0.0001523700000000 ] - [ 0.0000821600000000, 0.0000543400000000, -0.0001817500000000 ] - [ -0.0007852800000000, -0.0000029700000000, -0.0000639600000000 ] - [ 0.0005066200000000, 0.0000919200000000, -0.0006308200000000 ] - [ -0.0045267700000000, 0.0024465300000000, 0.0019431700000000 ] - [ 0.0018922500000000, -0.0004259000000000, -0.0006468200000000 ] - [ -0.0003076900000000, -0.0007016800000000, -0.0007645700000000 ] - [ 0.0004938700000000, -0.0002908300000000, -0.0007869000000000 ] - [ -0.0093623100000000, 0.0007669900000000, -0.0075496300000000 ] - [ 0.0027061600000000, 0.0000640900000000, -0.0006314800000000 ] - [ 0.0002922600000000, -0.0001788900000000, -0.0007602600000000 ] - [ 0.0004614400000000, -0.0000858000000000, -0.0006880500000000 ] - [ -0.0006889100000000, 0.0005685000000000, 0.0006758300000000 ] - [ 0.0012559100000000, -0.0001438000000000, 0.0012129800000000 ] - [ -0.0000446600000000, 0.0001300800000000, 0.0006826300000000 ] - [ 0.0003620500000000, 0.0001753700000000, 0.0007568400000000 ] - [ 0.0028633200000000, 0.0014298800000000, 0.0014983300000000 ] - [ 0.0077322100000000, -0.0070304600000000, -0.0165062300000000 ] - [ 0.0003122800000000, 0.0000499700000000, 0.0002600200000000 ] - [ 0.0001028900000000, 0.0002666300000000, 0.0001831000000000 ] - [ 0.0003728800000000, -0.0006155900000000, 0.0010499400000000 ] - [ -0.0008456800000000, -0.0002401100000000, 0.0001580100000000 ] - [ 0.0000021200000000, -0.0005176600000000, 0.0008552700000000 ] - [ -0.0001346600000000, -0.0006750100000000, 0.0008095400000000 ] - [ 0.0002921700000000, 0.0000303400000000, -0.0011800200000000 ] - [ -0.0015964200000000, 0.0002942600000000, -0.0004970300000000 ] - [ -0.0000789500000000, -0.0003843700000000, -0.0008781400000000 ] - [ -0.0001733800000000, -0.0002969400000000, -0.0008684800000000 ] - [ 0.0020506500000000, -0.0000509200000000, -0.0014990200000000 ] - [ -0.0009382000000000, 0.0003918600000000, 0.0007471600000000 ] - [ 0.0002835300000000, -0.0002172100000000, 0.0001780300000000 ] - [ 0.0001341400000000, -0.0004332100000000, 0.0002272600000000 ] - [ -0.0000598800000000, 0.0001994200000000, 0.0005159100000000 ] - [ -0.0016482800000000, -0.0000819400000000, 0.0006800900000000 ] - [ 0.0011347400000000, -0.0012767400000000, 0.0006621900000000 ] - [ -0.0013057900000000, 0.0004629200000000, 0.0010095000000000 ] - [ 0.0051174800000000, -0.0018408500000000, 0.0018792800000000 ] - [ 0.0109905000000000, 0.0137409700000000, -0.0102842400000000 ] - [ -0.0000820600000000, 0.0003210700000000, -0.0008404500000000 ] - [ -0.0002510900000000, -0.0000090600000000, -0.0007780800000000 ] - [ -0.0104361400000000, 0.0070979700000000, -0.0024900800000000 ] - [ 0.0023356700000000, 0.0001786800000000, -0.0004122300000000 ] - [ -0.0006542300000000, -0.0008178000000000, -0.0003414500000000 ] - [ 0.0001848300000000, -0.0002794200000000, -0.0000770400000000 ] - [ 0.0003416400000000, 0.0000136700000000, -0.0003848200000000 ] - [ -0.0004367300000000, -0.0004381600000000, -0.0004230500000000 ] - [ 0.0003426500000000, -0.0004304100000000, -0.0007708400000000 ] - [ -0.0004388900000000, 0.0000909600000000, -0.0003799200000000 ] - [ 0.0061735400000000, 0.0023977400000000, -0.0006285500000000 ] - [ 0.0263743800000000, -0.0189679200000000, 0.0264820500000000 ] - [ 0.0000216000000000, 0.0003852400000000, 0.0008423300000000 ] - [ -0.0001647400000000, 0.0004908500000000, 0.0008739300000000 ] - [ 0.0009355700000000, 0.0008556600000000, -0.0003428600000000 ] - [ -0.0016983200000000, -0.0021421400000000, 0.0001160000000000 ] - [ 0.0005876900000000, -0.0003856300000000, -0.0001356900000000 ] - [ -0.0009713900000000, 0.0006753800000000, -0.0000714900000000 ] - [ -0.0009342400000000, -0.0000104100000000, 0.0002177600000000 ] - [ 0.0009029800000000, 0.0003868800000000, -0.0000976800000000 ] - [ -0.0000994700000000, -0.0000341100000000, 0.0002656900000000 ] - [ 0.0000599500000000, -0.0000229700000000, 0.0002709400000000 ] - [ -0.0047291600000000, -0.0023138600000000, 0.0051300700000000 ] - [ 0.0026062500000000, -0.0000399900000000, -0.0000933100000000 ] - [ 0.0002700700000000, -0.0000123300000000, -0.0006251300000000 ] - [ 0.0005051200000000, -0.0000544400000000, -0.0006164800000000 ] - [ 0.0001238800000000, 0.0005286400000000, 0.0012663000000000 ] - [ -0.0018525900000000, -0.0024236300000000, -0.0009948200000000 ] - [ -0.0001519600000000, -0.0001367800000000, 0.0007170900000000 ] - [ -0.0007688500000000, 0.0002388500000000, 0.0004243800000000 ]- atom: 73 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ -0.0046203400000000, -0.0000955500000000, 0.0006759400000000 ] - [ 0.0039051700000000, 0.0023289800000000, 0.0033761800000000 ] - [ -0.0001658800000000, -0.0000913300000000, 0.0001037000000000 ] - [ 0.0000078700000000, -0.0003111300000000, 0.0001667300000000 ] - [ 0.0000428100000000, 0.0007051400000000, 0.0000014300000000 ] - [ 0.0006196500000000, -0.0004961400000000, -0.0001725100000000 ] - [ -0.0003918500000000, -0.0015774900000000, 0.0014111300000000 ] - [ 0.0022466700000000, 0.0027289200000000, -0.0020547800000000 ] - [ -0.0005820800000000, 0.0004536500000000, 0.0019100000000000 ] - [ 0.0022734300000000, 0.0001716800000000, -0.0020532300000000 ] - [ -0.0001677800000000, -0.0000088800000000, 0.0001525700000000 ] - [ -0.0000133700000000, 0.0001244900000000, 0.0000725800000000 ] - [ -0.0001388300000000, 0.0011138000000000, -0.0015902500000000 ] - [ 0.0019321100000000, -0.0020182500000000, 0.0024256900000000 ] - [ 0.0000081700000000, -0.0006578800000000, -0.0004050900000000 ] - [ 0.0002495100000000, -0.0000807200000000, -0.0001207600000000 ] - [ -0.0013574600000000, -0.0003504800000000, -0.0010543600000000 ] - [ 0.0017136900000000, -0.0004619300000000, -0.0000556800000000 ] - [ -0.0001963700000000, -0.0003802600000000, -0.0008166700000000 ] - [ 0.0012218800000000, -0.0001830500000000, -0.0008029700000000 ] - [ -0.0029484800000000, 0.0003937800000000, 0.0012925600000000 ] - [ 0.0019057700000000, 0.0004898700000000, -0.0009814900000000 ] - [ -0.0029264200000000, 0.0001321500000000, -0.0003120900000000 ] - [ 0.0026912000000000, -0.0001277000000000, 0.0003675400000000 ] - [ 0.0061079700000000, 0.0008530000000000, 0.0017364300000000 ] - [ -0.1033198800000000, -0.0327972500000000, 0.0783022200000000 ] - [ -0.0002967500000000, -0.0002773900000000, 0.0005577400000000 ] - [ -0.0008375400000000, -0.0003361700000000, 0.0005488800000000 ] - [ 0.0015647600000000, 0.0012931100000000, -0.0002818600000000 ] - [ -0.0041950700000000, 0.0003220400000000, 0.0006423600000000 ] - [ -0.0003609700000000, 0.0000696100000000, 0.0004416500000000 ] - [ -0.0007158600000000, 0.0000164400000000, 0.0004109500000000 ] - [ 0.0004830000000000, 0.0006264600000000, -0.0006642700000000 ] - [ -0.0003372800000000, 0.0001499700000000, -0.0005251500000000 ] - [ 0.0014320100000000, -0.0003927600000000, -0.0012354100000000 ] - [ -0.0015704500000000, 0.0010330700000000, -0.0002581000000000 ] - [ -0.0019204800000000, -0.0007115800000000, 0.0007878900000000 ] - [ 0.0008438800000000, -0.0006777800000000, 0.0005122600000000 ] - [ -0.0002549500000000, -0.0006838800000000, 0.0004766800000000 ] - [ 0.0000351500000000, -0.0006413500000000, 0.0004796000000000 ] - [ -0.0580758100000000, 0.0160140000000000, -0.0157787300000000 ] - [ 0.0052801700000000, 0.0004836300000000, 0.0007124400000000 ] - [ -0.0003134600000000, 0.0002201900000000, 0.0005122000000000 ] - [ 0.0000415300000000, 0.0003787200000000, 0.0004781200000000 ] - [ 0.0020567200000000, 0.0014505200000000, 0.0000965000000000 ] - [ -0.0073557000000000, -0.0088633000000000, -0.0015639000000000 ] - [ 0.0005952900000000, -0.0008498700000000, -0.0002918200000000 ] - [ -0.0004227100000000, -0.0002349400000000, -0.0006543300000000 ] - [ -0.0001307900000000, -0.0008069800000000, -0.0004970100000000 ] - [ 0.0002744100000000, -0.0005891000000000, -0.0003724700000000 ] - [ -0.0000325600000000, -0.0007158400000000, -0.0003359000000000 ] - [ 0.0000114500000000, -0.0008110400000000, -0.0003401500000000 ] - [ -0.0014433300000000, 0.0051052200000000, 0.0033598400000000 ] - [ 0.0008359600000000, -0.0008819800000000, 0.0004171500000000 ] - [ -0.0000112700000000, -0.0008185300000000, 0.0003662800000000 ] - [ 0.0000375800000000, -0.0006773100000000, 0.0003949700000000 ] - [ 0.0000181100000000, 0.0006968800000000, 0.0003071100000000 ] - [ 0.0000289100000000, 0.0006470600000000, 0.0003581800000000 ] - [ -0.0000657400000000, 0.0007095600000000, 0.0000443800000000 ] - [ 0.0000907600000000, 0.0007328500000000, 0.0003142300000000 ] - [ 0.0025667700000000, 0.0032203800000000, -0.0001698900000000 ] - [ 0.0025854500000000, -0.0024102900000000, -0.0017320800000000 ] - [ -0.0000178000000000, 0.0006343400000000, -0.0003226700000000 ] - [ 0.0000117000000000, 0.0007748300000000, -0.0002828300000000 ] - [ 0.0003283700000000, 0.0004701800000000, -0.0007585500000000 ] - [ -0.0002510400000000, 0.0007166200000000, -0.0007797500000000 ] - [ 0.0014876300000000, 0.0011620800000000, -0.0000931500000000 ] - [ -0.0008503000000000, 0.0003826600000000, -0.0009930500000000 ] - [ 0.0006826000000000, -0.0004831400000000, 0.0006508200000000 ] - [ -0.0002946400000000, -0.0002540800000000, 0.0008171000000000 ] - [ 0.0032931200000000, 0.0031082200000000, 0.0000283800000000 ] - [ -0.0022265200000000, -0.0010718900000000, 0.0003952700000000 ] - [ 0.1888720300000000, 0.0056780900000000, -0.0691576900000000 ] - [ -0.0030772300000000, -0.0001191900000000, 0.0005777100000000 ] - [ 0.0000889300000000, 0.0000560600000000, 0.0002151700000000 ] - [ -0.0001214800000000, 0.0000075700000000, 0.0002595100000000 ] - [ 0.0002969800000000, 0.0003536700000000, -0.0002760600000000 ] - [ -0.0004741200000000, 0.0003162000000000, -0.0002468200000000 ] - [ 0.0003937400000000, 0.0003772100000000, -0.0003637800000000 ] - [ -0.0008992000000000, 0.0002762600000000, 0.0002046100000000 ] - [ 0.0046260700000000, -0.0034783400000000, -0.0036034300000000 ] - [ -0.0017637100000000, -0.0006011600000000, -0.0010164900000000 ] - [ 0.0004342600000000, -0.0003321400000000, -0.0008997500000000 ] - [ -0.0003684300000000, -0.0007440800000000, -0.0008761000000000 ] - [ 0.0101330400000000, -0.0008418700000000, 0.0064276900000000 ] - [ -0.0019190200000000, -0.0001103600000000, -0.0007078600000000 ] - [ 0.0004922400000000, 0.0001293900000000, -0.0005740500000000 ] - [ 0.0003219100000000, 0.0000364200000000, -0.0006466900000000 ] - [ 0.0010027600000000, -0.0001002300000000, 0.0009934100000000 ] - [ -0.0009440900000000, 0.0006167800000000, 0.0004478700000000 ] - [ 0.0003586300000000, 0.0003395700000000, 0.0009785000000000 ] - [ -0.0000471500000000, 0.0002926400000000, 0.0009045700000000 ] - [ -0.0024578500000000, -0.0010496100000000, -0.0010557600000000 ] - [ -0.0074066600000000, 0.0075082600000000, 0.0171674100000000 ] - [ 0.0000795500000000, 0.0003156900000000, 0.0001697800000000 ] - [ 0.0002893500000000, 0.0000988000000000, 0.0002466300000000 ] - [ -0.0005004600000000, -0.0004160900000000, 0.0006176400000000 ] - [ 0.0007241200000000, -0.0007900700000000, 0.0015113300000000 ] - [ -0.0001281900000000, -0.0005153100000000, 0.0008091200000000 ] - [ 0.0000106900000000, -0.0003574100000000, 0.0008541400000000 ] - [ -0.0006149400000000, -0.0004936300000000, -0.0004813000000000 ] - [ 0.0012994100000000, -0.0007669300000000, -0.0011552900000000 ] - [ -0.0002341600000000, -0.0000887400000000, -0.0007834600000000 ] - [ -0.0001393500000000, -0.0001761500000000, -0.0007931000000000 ] - [ -0.0016524800000000, -0.0003150000000000, 0.0019178600000000 ] - [ 0.0013394400000000, -0.0007465300000000, -0.0003137200000000 ] - [ 0.0001070100000000, -0.0001548600000000, 0.0002520100000000 ] - [ 0.0002588000000000, 0.0000570100000000, 0.0002046700000000 ] - [ -0.0007282300000000, -0.0002449200000000, 0.0008150900000000 ] - [ 0.0008817500000000, 0.0000224100000000, 0.0006592200000000 ] - [ -0.0019119400000000, 0.0012215000000000, 0.0006691000000000 ] - [ 0.0005230700000000, -0.0005071100000000, 0.0003188900000000 ] - [ -0.0053984400000000, 0.0022889200000000, -0.0035241900000000 ] - [ -0.0114463400000000, -0.0134947500000000, 0.0087482600000000 ] - [ -0.0002336900000000, 0.0001472100000000, -0.0008212900000000 ] - [ -0.0000605700000000, 0.0004768800000000, -0.0008840100000000 ] - [ 0.0100139400000000, -0.0077164200000000, 0.0021686500000000 ] - [ -0.0027227000000000, -0.0005391200000000, -0.0000159400000000 ] - [ 0.0002632400000000, 0.0004461300000000, -0.0000881100000000 ] - [ -0.0005765400000000, -0.0000963100000000, -0.0003529800000000 ] - [ -0.0003037100000000, -0.0001257400000000, -0.0002303800000000 ] - [ 0.0004818600000000, 0.0003261600000000, -0.0001912000000000 ] - [ -0.0003016500000000, 0.0003159600000000, 0.0001506300000000 ] - [ 0.0004791800000000, -0.0002003600000000, -0.0002368900000000 ] - [ -0.0062466800000000, -0.0013419900000000, 0.0022642400000000 ] - [ -0.0269384600000000, 0.0203261300000000, -0.0252765000000000 ] - [ -0.0001474400000000, 0.0006440700000000, 0.0008217800000000 ] - [ 0.0000401900000000, 0.0005387600000000, 0.0007898600000000 ] - [ -0.0008952000000000, -0.0007370300000000, -0.0002757500000000 ] - [ 0.0017532000000000, 0.0022542200000000, -0.0007500900000000 ] - [ -0.0005456800000000, 0.0004921200000000, -0.0004798900000000 ] - [ 0.0010145100000000, -0.0005701300000000, -0.0005458500000000 ] - [ 0.0008963600000000, 0.0001334600000000, 0.0004195700000000 ] - [ -0.0009426100000000, -0.0002728400000000, 0.0007162700000000 ] - [ 0.0000587500000000, 0.0001428500000000, 0.0003526600000000 ] - [ -0.0001015500000000, 0.0001332900000000, 0.0003469800000000 ] - [ 0.0055236100000000, 0.0023512700000000, -0.0064088100000000 ] - [ -0.0018188300000000, 0.0000866300000000, -0.0012333300000000 ] - [ 0.0005139700000000, 0.0000561200000000, -0.0007083400000000 ] - [ 0.0002779300000000, 0.0001001500000000, -0.0007158300000000 ] - [ -0.0009096200000000, -0.0004773800000000, 0.0000712600000000 ] - [ 0.0010718000000000, 0.0024831400000000, 0.0023346500000000 ] - [ -0.0006319700000000, 0.0001815000000000, 0.0006175100000000 ] - [ -0.0000134500000000, -0.0001935900000000, 0.0009117300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005360600000000, 0.0088569400000000, -0.0006538800000000 ] - [ -0.0022773100000000, 0.0030060500000000, -0.0035964800000000 ] - [ -0.0009122900000000, -0.0025022100000000, 0.0005017400000000 ] - [ 0.0004931800000000, -0.0020009400000000, 0.0000642200000000 ] - [ -0.0014104000000000, -0.0016605600000000, -0.0011173800000000 ] - [ 0.0010336300000000, -0.0010903400000000, -0.0006426000000000 ] - [ 0.0024112100000000, -0.0017526300000000, 0.0022185000000000 ] - [ -0.0020107700000000, -0.0022455900000000, 0.0019749200000000 ] - [ -0.0001659800000000, 0.0040743900000000, 0.0004447200000000 ] - [ 0.0006325300000000, 0.0026315700000000, 0.0000400700000000 ] - [ -0.0000347600000000, -0.0014589100000000, 0.0002941900000000 ] - [ -0.0001121900000000, -0.0013462900000000, 0.0003387100000000 ] - [ -0.0034284500000000, 0.0010015900000000, 0.0036216400000000 ] - [ 0.0019874900000000, -0.0000716200000000, 0.0017331400000000 ] - [ 0.0004773000000000, -0.0016056200000000, -0.0007242200000000 ] - [ -0.0001331500000000, -0.0013996800000000, -0.0005363700000000 ] - [ 0.0003734000000000, -0.0008470700000000, -0.0013289200000000 ] - [ 0.0003143700000000, -0.0002680300000000, -0.0003213800000000 ] - [ 0.0003365300000000, -0.0020634800000000, 0.0001129000000000 ] - [ 0.0007439700000000, -0.0011721300000000, -0.0002507800000000 ] - [ 0.0081474900000000, -0.0125085700000000, -0.0073192300000000 ] - [ -0.0000484800000000, 0.0000602500000000, -0.0004968100000000 ] - [ -0.0033088000000000, -0.0062658400000000, -0.0031322400000000 ] - [ 0.0009554200000000, -0.0016817400000000, -0.0006806100000000 ] - [ 0.0008093600000000, 0.0051605300000000, 0.0008297200000000 ] - [ 0.0299471400000000, 0.0516530700000000, -0.0398686300000000 ] - [ -0.0007106500000000, -0.0025414000000000, 0.0003494300000000 ] - [ -0.0003508400000000, -0.0034699500000000, 0.0002909000000000 ] - [ -0.0002976300000000, 0.0038737400000000, 0.0006923100000000 ] - [ 0.0000907400000000, 0.0060849400000000, 0.0035204900000000 ] - [ -0.0005687400000000, -0.0017883700000000, 0.0004732600000000 ] - [ -0.0006708400000000, -0.0025091500000000, 0.0003883700000000 ] - [ 0.0000922700000000, -0.0004696400000000, -0.0000148400000000 ] - [ 0.0004631200000000, -0.0019926100000000, 0.0019019100000000 ] - [ 0.0004308200000000, 0.0008021500000000, -0.0014313400000000 ] - [ -0.0008041900000000, 0.0015833900000000, -0.0020831300000000 ] - [ -0.0021621700000000, -0.0020482300000000, 0.0065066900000000 ] - [ 0.0002991800000000, 0.0004037100000000, 0.0012989200000000 ] - [ 0.0000273000000000, -0.0021118000000000, 0.0005370500000000 ] - [ -0.0002479500000000, -0.0015049700000000, 0.0004638100000000 ] - [ -0.0180075900000000, 0.0635846100000000, -0.0246672600000000 ] - [ -0.0007654300000000, 0.0027710600000000, -0.0002821400000000 ] - [ -0.0003122000000000, -0.0022315800000000, 0.0004423600000000 ] - [ -0.0000922300000000, -0.0011006600000000, 0.0004371600000000 ] - [ 0.0000486400000000, 0.0011853900000000, -0.0009025600000000 ] - [ 0.0042598300000000, -0.0000291100000000, -0.0034330100000000 ] - [ -0.0000094500000000, -0.0021055100000000, -0.0000655400000000 ] - [ -0.0000528900000000, -0.0028930100000000, 0.0004514900000000 ] - [ 0.0000800700000000, -0.0006012400000000, -0.0002849100000000 ] - [ 0.0000150300000000, -0.0006198200000000, -0.0001968200000000 ] - [ -0.0000857400000000, -0.0009475300000000, -0.0003088300000000 ] - [ 0.0000717500000000, -0.0010270100000000, -0.0002351300000000 ] - [ -0.0028148200000000, -0.0041007700000000, -0.0033666200000000 ] - [ 0.0003814100000000, -0.0002359000000000, 0.0003531000000000 ] - [ 0.0000512200000000, -0.0014100000000000, 0.0003555300000000 ] - [ -0.0000511300000000, -0.0011389300000000, 0.0002750500000000 ] - [ -0.0001719300000000, 0.0005075600000000, 0.0005388500000000 ] - [ 0.0001191700000000, 0.0004708700000000, 0.0004368100000000 ] - [ 0.0000955300000000, 0.0010279000000000, 0.0003255900000000 ] - [ -0.0000347700000000, 0.0009257100000000, 0.0003028200000000 ] - [ -0.0017568900000000, 0.0011888800000000, -0.0006385100000000 ] - [ 0.0023039300000000, 0.0002553700000000, -0.0012373600000000 ] - [ 0.0000533300000000, 0.0002676600000000, -0.0003691900000000 ] - [ -0.0000841300000000, 0.0001679700000000, -0.0004419800000000 ] - [ 0.0004523300000000, 0.0018445800000000, -0.0018282500000000 ] - [ -0.0001248300000000, 0.0009671000000000, -0.0009944700000000 ] - [ 0.0004819700000000, 0.0005421900000000, 0.0001332300000000 ] - [ -0.0000086300000000, 0.0004183500000000, -0.0005002100000000 ] - [ 0.0013045500000000, 0.0039827300000000, 0.0025387500000000 ] - [ 0.0000197100000000, 0.0002786900000000, 0.0008624700000000 ] - [ 0.0000228900000000, 0.0097543000000000, 0.0008928200000000 ] - [ 0.0009888700000000, 0.0004636500000000, 0.0015322900000000 ] - [ -0.0041422700000000, -0.1660821600000000, 0.1254723000000000 ] - [ 0.0000488300000000, -0.0024486100000000, 0.0014553200000000 ] - [ -0.0001352200000000, 0.0017069900000000, -0.0001002100000000 ] - [ -0.0000855500000000, 0.0011033400000000, 0.0000764700000000 ] - [ -0.0002562600000000, 0.0015229600000000, -0.0001507700000000 ] - [ -0.0003141400000000, 0.0008112800000000, -0.0002723300000000 ] - [ 0.0000456500000000, 0.0015869700000000, -0.0015763100000000 ] - [ 0.0001649100000000, 0.0000431300000000, -0.0006840100000000 ] - [ -0.0002312200000000, 0.0039324200000000, 0.0054965500000000 ] - [ -0.0002998200000000, -0.0011688500000000, -0.0007400000000000 ] - [ 0.0000435500000000, 0.0007945100000000, -0.0013225500000000 ] - [ 0.0002165400000000, 0.0003830800000000, -0.0009855900000000 ] - [ 0.0003665600000000, -0.0112444100000000, -0.0092400900000000 ] - [ 0.0001053800000000, -0.0016160900000000, -0.0011633300000000 ] - [ 0.0004394100000000, 0.0014468000000000, -0.0000718900000000 ] - [ 0.0003936600000000, 0.0009307100000000, -0.0003691900000000 ] - [ 0.0004836100000000, -0.0005902000000000, 0.0006681200000000 ] - [ -0.0001342200000000, -0.0001584500000000, 0.0005131700000000 ] - [ -0.0001493000000000, 0.0013713000000000, 0.0007011700000000 ] - [ -0.0000007100000000, 0.0009528500000000, 0.0007882900000000 ] - [ 0.0006822000000000, -0.0026758800000000, 0.0001384600000000 ] - [ -0.0077587200000000, -0.0060282900000000, 0.0090767200000000 ] - [ 0.0002430300000000, 0.0018567800000000, 0.0003760100000000 ] - [ 0.0002915200000000, 0.0024272900000000, 0.0003294900000000 ] - [ -0.0005823900000000, -0.0011611100000000, 0.0002891000000000 ] - [ 0.0008684500000000, -0.0009823900000000, -0.0007278900000000 ] - [ 0.0001367500000000, 0.0001085400000000, 0.0009474800000000 ] - [ -0.0001743200000000, 0.0002370900000000, 0.0008301700000000 ] - [ 0.0006661200000000, -0.0021438700000000, -0.0013669000000000 ] - [ -0.0000873300000000, -0.0020542500000000, -0.0020935700000000 ] - [ -0.0004911300000000, 0.0008407000000000, -0.0008227400000000 ] - [ -0.0004877600000000, 0.0010446900000000, -0.0008649400000000 ] - [ -0.0010747800000000, -0.0019007400000000, 0.0017676000000000 ] - [ 0.0000533600000000, -0.0028505000000000, 0.0008134300000000 ] - [ 0.0003673000000000, 0.0011093400000000, -0.0001116400000000 ] - [ 0.0000593300000000, 0.0020644600000000, -0.0004435100000000 ] - [ 0.0002070800000000, 0.0004863700000000, 0.0003976500000000 ] - [ -0.0035059800000000, 0.0036609600000000, -0.0011256600000000 ] - [ -0.0012235600000000, 0.0007868400000000, 0.0013071000000000 ] - [ 0.0004785800000000, 0.0005867600000000, 0.0024236400000000 ] - [ -0.0040772900000000, -0.0010354000000000, -0.0021166200000000 ] - [ 0.0168497600000000, 0.0056209500000000, -0.0085376700000000 ] - [ 0.0005657700000000, 0.0015421400000000, -0.0007219600000000 ] - [ -0.0001275100000000, 0.0018183600000000, -0.0006127700000000 ] - [ -0.0011295300000000, 0.0488693100000000, -0.0254097000000000 ] - [ -0.0007016100000000, -0.0010886300000000, -0.0001459800000000 ] - [ 0.0002398600000000, 0.0034773700000000, 0.0008749400000000 ] - [ -0.0002020700000000, 0.0014081900000000, 0.0000942900000000 ] - [ 0.0003948100000000, 0.0002660700000000, -0.0006363300000000 ] - [ -0.0001275100000000, 0.0002926500000000, -0.0009484200000000 ] - [ -0.0000474800000000, 0.0002679000000000, -0.0000333700000000 ] - [ 0.0004021900000000, 0.0002976200000000, -0.0001182800000000 ] - [ 0.0019509800000000, -0.0013073800000000, 0.0010164300000000 ] - [ -0.0163856200000000, -0.0012610700000000, -0.0092996400000000 ] - [ -0.0001224600000000, 0.0014145800000000, 0.0008162800000000 ] - [ 0.0000860300000000, 0.0016357900000000, 0.0008983000000000 ] - [ 0.0008204500000000, -0.0002989100000000, 0.0001098800000000 ] - [ -0.0021819300000000, 0.0007784600000000, 0.0020429800000000 ] - [ -0.0004167300000000, 0.0012490500000000, -0.0006684100000000 ] - [ 0.0006386200000000, 0.0023831600000000, -0.0011253400000000 ] - [ 0.0000462800000000, -0.0025723400000000, -0.0037659300000000 ] - [ -0.0003483200000000, -0.0013910400000000, -0.0002101300000000 ] - [ 0.0000679900000000, 0.0013394600000000, 0.0004764700000000 ] - [ 0.0000577200000000, 0.0009274700000000, 0.0004764100000000 ] - [ 0.0035147000000000, 0.0034030700000000, -0.0173801800000000 ] - [ 0.0005591400000000, -0.0013550300000000, -0.0013111500000000 ] - [ 0.0002924800000000, 0.0012569100000000, -0.0007991200000000 ] - [ 0.0003583700000000, 0.0008708600000000, -0.0007910200000000 ] - [ -0.0000846600000000, -0.0003949600000000, 0.0007903400000000 ] - [ -0.0014048700000000, 0.0002422100000000, 0.0020251800000000 ] - [ -0.0005865600000000, 0.0007047300000000, 0.0004976100000000 ] - [ -0.0003805100000000, 0.0009696300000000, 0.0003534800000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005642600000000, -0.0092839100000000, 0.0007881600000000 ] - [ 0.0020681300000000, -0.0032669700000000, 0.0039083200000000 ] - [ 0.0007016700000000, 0.0022561600000000, -0.0001884300000000 ] - [ -0.0006979800000000, 0.0017589400000000, 0.0002483200000000 ] - [ 0.0016134500000000, 0.0019040200000000, 0.0008009900000000 ] - [ -0.0008267700000000, 0.0013430000000000, 0.0003284700000000 ] - [ -0.0022129400000000, 0.0019960900000000, -0.0025502900000000 ] - [ 0.0022161300000000, 0.0024809000000000, -0.0022881800000000 ] - [ -0.0000355500000000, -0.0038254700000000, -0.0001225000000000 ] - [ -0.0008589400000000, -0.0023918600000000, 0.0002933900000000 ] - [ -0.0001733500000000, 0.0017035100000000, 0.0000176400000000 ] - [ -0.0000944000000000, 0.0015907400000000, -0.0000257400000000 ] - [ 0.0036264400000000, -0.0012305700000000, -0.0039173600000000 ] - [ -0.0017885200000000, -0.0001577600000000, -0.0020577000000000 ] - [ -0.0002718200000000, 0.0013628700000000, 0.0004150100000000 ] - [ 0.0003422200000000, 0.0011557500000000, 0.0002248800000000 ] - [ 0.0006908800000000, 0.0004084600000000, 0.0003902200000000 ] - [ 0.0007289200000000, -0.0001717200000000, -0.0006220200000000 ] - [ 0.0007124000000000, 0.0016091100000000, -0.0010569900000000 ] - [ 0.0003032300000000, 0.0007209100000000, -0.0006932900000000 ] - [ -0.0070464900000000, 0.0129346900000000, 0.0063269400000000 ] - [ 0.0010913500000000, 0.0003971100000000, -0.0004492900000000 ] - [ 0.0043948300000000, 0.0067356700000000, 0.0021988000000000 ] - [ 0.0000877100000000, 0.0021270800000000, -0.0002660400000000 ] - [ -0.0018637700000000, -0.0056224400000000, 0.0001125100000000 ] - [ -0.0314937900000000, -0.0519196100000000, 0.0414811400000000 ] - [ -0.0003405400000000, 0.0020953500000000, 0.0005940600000000 ] - [ -0.0006961100000000, 0.0030237700000000, 0.0006516100000000 ] - [ -0.0007613300000000, -0.0034365800000000, 0.0002545700000000 ] - [ -0.0011623300000000, -0.0056806400000000, -0.0026042600000000 ] - [ -0.0004817400000000, 0.0022375700000000, 0.0004728700000000 ] - [ -0.0003759500000000, 0.0029573700000000, 0.0005595400000000 ] - [ 0.0000995100000000, 0.0015151300000000, -0.0009509500000000 ] - [ -0.0002598200000000, 0.0030350000000000, -0.0028610600000000 ] - [ -0.0002408100000000, 0.0002418800000000, 0.0004678300000000 ] - [ 0.0010054800000000, -0.0005480600000000, 0.0011263100000000 ] - [ 0.0019662800000000, 0.0010024000000000, -0.0055111900000000 ] - [ -0.0004964500000000, -0.0014522200000000, -0.0003302100000000 ] - [ -0.0002203300000000, 0.0010721700000000, 0.0004303200000000 ] - [ 0.0000525400000000, 0.0004653200000000, 0.0005033300000000 ] - [ 0.0167042300000000, -0.0611093300000000, 0.0228734700000000 ] - [ 0.0005639600000000, -0.0017300300000000, 0.0012480300000000 ] - [ 0.0001207800000000, 0.0032809100000000, 0.0005247900000000 ] - [ -0.0001033700000000, 0.0021442000000000, 0.0005302600000000 ] - [ 0.0001371400000000, -0.0022226900000000, -0.0000654800000000 ] - [ -0.0040031700000000, -0.0009196600000000, 0.0024639700000000 ] - [ 0.0002031200000000, 0.0010635500000000, -0.0009036900000000 ] - [ 0.0002501800000000, 0.0018518400000000, -0.0014236900000000 ] - [ -0.0001058500000000, -0.0008376900000000, -0.0003830300000000 ] - [ -0.0000423200000000, -0.0008206300000000, -0.0004705000000000 ] - [ 0.0000591600000000, -0.0004902700000000, -0.0003596500000000 ] - [ -0.0000979900000000, -0.0004101900000000, -0.0004333500000000 ] - [ 0.0028192300000000, 0.0026516400000000, 0.0039848300000000 ] - [ -0.0003604100000000, -0.0012005200000000, 0.0003132800000000 ] - [ -0.0000247900000000, -0.0000257100000000, 0.0003126800000000 ] - [ 0.0000781700000000, -0.0002992300000000, 0.0003937200000000 ] - [ 0.0001975300000000, 0.0009321600000000, 0.0001309500000000 ] - [ -0.0000922800000000, 0.0009679000000000, 0.0002323300000000 ] - [ -0.0000683300000000, 0.0004079500000000, 0.0003449700000000 ] - [ 0.0000611700000000, 0.0005109400000000, 0.0003666300000000 ] - [ 0.0017266100000000, 0.0002526900000000, -0.0000321700000000 ] - [ -0.0023267000000000, 0.0011988600000000, 0.0005704100000000 ] - [ -0.0000803100000000, 0.0011707200000000, -0.0003002700000000 ] - [ 0.0000580800000000, 0.0012706000000000, -0.0002269000000000 ] - [ -0.0003252400000000, -0.0008097600000000, 0.0001593400000000 ] - [ 0.0002525400000000, 0.0000611500000000, -0.0006696200000000 ] - [ -0.0003575000000000, 0.0004903300000000, -0.0018024100000000 ] - [ 0.0001379800000000, 0.0006141400000000, -0.0011638900000000 ] - [ -0.0009863300000000, -0.0044405800000000, -0.0008612800000000 ] - [ 0.0002972500000000, -0.0007512700000000, 0.0008015800000000 ] - [ 0.0003130000000000, -0.0103661900000000, 0.0007755800000000 ] - [ -0.0006689000000000, -0.0009283100000000, 0.0001313900000000 ] - [ 0.0054546800000000, 0.1640101800000000, -0.1223200700000000 ] - [ -0.0000841800000000, 0.0023418500000000, -0.0008367800000000 ] - [ 0.0000929900000000, -0.0018209800000000, 0.0007198500000000 ] - [ 0.0000447500000000, -0.0012163200000000, 0.0005421500000000 ] - [ -0.0001393200000000, -0.0011589300000000, -0.0002773500000000 ] - [ -0.0000763100000000, -0.0004466600000000, -0.0001562700000000 ] - [ -0.0004388600000000, -0.0012031300000000, 0.0011418000000000 ] - [ -0.0005552800000000, 0.0003312100000000, 0.0002539100000000 ] - [ 0.0003469100000000, -0.0048994000000000, -0.0070340400000000 ] - [ 0.0004359700000000, 0.0001328300000000, -0.0009206800000000 ] - [ 0.0000828800000000, -0.0018288000000000, -0.0003368800000000 ] - [ -0.0000894000000000, -0.0014138900000000, -0.0006746400000000 ] - [ 0.0004152700000000, 0.0111165000000000, 0.0080735200000000 ] - [ 0.0006855100000000, 0.0015726900000000, -0.0001690100000000 ] - [ 0.0003459700000000, -0.0014959800000000, -0.0012648700000000 ] - [ 0.0003916700000000, -0.0009786700000000, -0.0009655300000000 ] - [ -0.0001713800000000, 0.0010507300000000, 0.0009957100000000 ] - [ 0.0004572800000000, 0.0006216500000000, 0.0011496400000000 ] - [ 0.0004665200000000, -0.0009018500000000, 0.0009604200000000 ] - [ 0.0003177300000000, -0.0004837900000000, 0.0008738500000000 ] - [ -0.0002942700000000, 0.0030449400000000, 0.0002906700000000 ] - [ 0.0082263700000000, 0.0063173500000000, -0.0087175300000000 ] - [ 0.0001508000000000, -0.0014879800000000, 0.0000539700000000 ] - [ 0.0000988600000000, -0.0020591300000000, 0.0001012300000000 ] - [ 0.0004570900000000, 0.0001324900000000, 0.0013740600000000 ] - [ -0.0009942300000000, -0.0000426100000000, 0.0023874500000000 ] - [ -0.0002618700000000, -0.0011410200000000, 0.0007154700000000 ] - [ 0.0000462400000000, -0.0012700000000000, 0.0008307100000000 ] - [ -0.0009813200000000, 0.0016738400000000, -0.0002978100000000 ] - [ -0.0002253400000000, 0.0015889600000000, 0.0004378500000000 ] - [ 0.0001762600000000, -0.0013102900000000, -0.0008402000000000 ] - [ 0.0001694600000000, -0.0015118200000000, -0.0007987700000000 ] - [ 0.0014765300000000, 0.0015362400000000, -0.0013509700000000 ] - [ 0.0003371700000000, 0.0024955300000000, -0.0003900100000000 ] - [ 0.0000260600000000, -0.0014817300000000, 0.0005398700000000 ] - [ 0.0003310000000000, -0.0024361800000000, 0.0008712400000000 ] - [ -0.0009872700000000, -0.0005351300000000, 0.0009361800000000 ] - [ 0.0026936100000000, -0.0037013200000000, 0.0024546100000000 ] - [ 0.0004432400000000, -0.0008339500000000, 0.0000241900000000 ] - [ -0.0012716300000000, -0.0006309800000000, -0.0010992100000000 ] - [ 0.0037766400000000, 0.0015130800000000, 0.0004612100000000 ] - [ -0.0173677900000000, -0.0051633400000000, 0.0069375400000000 ] - [ -0.0008801000000000, -0.0010751500000000, -0.0009400300000000 ] - [ -0.0001920200000000, -0.0013532300000000, -0.0010485800000000 ] - [ 0.0007814100000000, -0.0483447000000000, 0.0243329600000000 ] - [ 0.0003186400000000, 0.0007134000000000, -0.0002844300000000 ] - [ -0.0006362800000000, -0.0038632300000000, -0.0013112000000000 ] - [ -0.0001896600000000, -0.0017781800000000, -0.0005239300000000 ] - [ -0.0003504900000000, -0.0003803400000000, 0.0000150600000000 ] - [ 0.0001648700000000, -0.0004115000000000, 0.0003237300000000 ] - [ 0.0000905800000000, -0.0003790300000000, -0.0005871600000000 ] - [ -0.0003627700000000, -0.0004066400000000, -0.0005028300000000 ] - [ -0.0020702100000000, 0.0023369300000000, 0.0006462800000000 ] - [ 0.0163001100000000, 0.0021136300000000, 0.0109945000000000 ] - [ -0.0000023700000000, -0.0003845400000000, 0.0008466000000000 ] - [ -0.0002156200000000, -0.0006066600000000, 0.0007634200000000 ] - [ -0.0007732200000000, 0.0004056200000000, -0.0007256800000000 ] - [ 0.0022097000000000, -0.0006935900000000, -0.0026448400000000 ] - [ 0.0004616600000000, -0.0011378600000000, 0.0000516300000000 ] - [ -0.0006056500000000, -0.0022747700000000, 0.0005127200000000 ] - [ -0.0000883900000000, 0.0026925400000000, 0.0043951000000000 ] - [ 0.0003127400000000, 0.0015070400000000, 0.0008257100000000 ] - [ -0.0001095400000000, -0.0012283200000000, 0.0001400900000000 ] - [ -0.0000987300000000, -0.0008178000000000, 0.0001410300000000 ] - [ -0.0027307400000000, -0.0033172700000000, 0.0161760000000000 ] - [ 0.0002296700000000, 0.0014063500000000, -0.0000200700000000 ] - [ 0.0004926900000000, -0.0012119600000000, -0.0005324200000000 ] - [ 0.0004276000000000, -0.0008261900000000, -0.0005403400000000 ] - [ -0.0006961500000000, 0.0004378000000000, 0.0005429100000000 ] - [ 0.0006041400000000, -0.0002216800000000, -0.0007063900000000 ] - [ -0.0001972500000000, -0.0006569700000000, 0.0008382800000000 ] - [ -0.0004060300000000, -0.0009205900000000, 0.0009834300000000 ]- atom: 73 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ -0.0011885800000000, -0.0010631400000000, 0.0100319100000000 ] - [ -0.0009932700000000, -0.0027642900000000, 0.0039255000000000 ] - [ 0.0002048200000000, 0.0007603400000000, 0.0002701500000000 ] - [ -0.0003757500000000, 0.0005888300000000, 0.0004763300000000 ] - [ -0.0003912400000000, -0.0010934100000000, 0.0006565000000000 ] - [ 0.0004256200000000, -0.0005657200000000, 0.0002747500000000 ] - [ -0.0023490700000000, 0.0031920300000000, 0.0003936300000000 ] - [ 0.0018659300000000, 0.0022957800000000, -0.0010587100000000 ] - [ -0.0027210900000000, -0.0018963100000000, -0.0056031600000000 ] - [ 0.0021536500000000, -0.0005468200000000, -0.0047543000000000 ] - [ -0.0001989800000000, 0.0005658500000000, 0.0000182800000000 ] - [ -0.0000150200000000, 0.0005262700000000, -0.0000465000000000 ] - [ 0.0039284400000000, 0.0029357100000000, -0.0032596400000000 ] - [ -0.0020557000000000, 0.0015634200000000, -0.0024295400000000 ] - [ 0.0000269200000000, -0.0003507100000000, -0.0003256200000000 ] - [ 0.0001358500000000, -0.0000600800000000, -0.0001895900000000 ] - [ -0.0006707600000000, -0.0002771200000000, -0.0047939700000000 ] - [ 0.0006170700000000, -0.0003363600000000, -0.0018285800000000 ] - [ 0.0014924400000000, 0.0016934000000000, -0.0022548700000000 ] - [ 0.0007241600000000, 0.0002067800000000, -0.0013220200000000 ] - [ -0.0046205300000000, 0.0070795700000000, 0.0079933200000000 ] - [ 0.0005193800000000, 0.0009881600000000, 0.0010852800000000 ] - [ 0.0005552400000000, 0.0012785900000000, 0.0014101200000000 ] - [ 0.0012021500000000, 0.0005697900000000, 0.0009197400000000 ] - [ -0.0013677400000000, -0.0008406400000000, 0.0022888600000000 ] - [ -0.0764973100000000, -0.0425278600000000, 0.1227277000000000 ] - [ -0.0005446100000000, 0.0003037100000000, 0.0006631900000000 ] - [ -0.0007182400000000, 0.0006029200000000, 0.0008255900000000 ] - [ 0.0006512400000000, -0.0004767700000000, -0.0014353900000000 ] - [ -0.0107369500000000, -0.0094787800000000, -0.0151418500000000 ] - [ -0.0004198900000000, 0.0008339800000000, 0.0002669500000000 ] - [ -0.0003551700000000, 0.0011525800000000, 0.0001356000000000 ] - [ 0.0001018200000000, 0.0010201400000000, -0.0008418700000000 ] - [ -0.0001446100000000, 0.0017000200000000, -0.0020753400000000 ] - [ 0.0006738600000000, -0.0007961700000000, -0.0008989300000000 ] - [ -0.0003923600000000, -0.0027275300000000, -0.0006579500000000 ] - [ 0.0038323900000000, 0.0030182600000000, -0.0139346100000000 ] - [ -0.0004531200000000, -0.0008053700000000, -0.0007514300000000 ] - [ -0.0000450000000000, -0.0007668500000000, 0.0003871900000000 ] - [ -0.0000801800000000, -0.0004508000000000, 0.0003676100000000 ] - [ 0.0159406500000000, -0.0207822100000000, 0.0730334300000000 ] - [ 0.0015525200000000, -0.0006575600000000, 0.0018138600000000 ] - [ -0.0001065300000000, 0.0010115800000000, 0.0005958600000000 ] - [ -0.0000777400000000, 0.0007931100000000, 0.0005903000000000 ] - [ 0.0003081900000000, -0.0021504900000000, -0.0000906000000000 ] - [ 0.0011085300000000, -0.0131629900000000, -0.0001380200000000 ] - [ 0.0001996800000000, -0.0000991200000000, -0.0004569700000000 ] - [ 0.0000702700000000, 0.0003163700000000, -0.0004939500000000 ] - [ -0.0001553500000000, -0.0008081300000000, -0.0008833600000000 ] - [ -0.0002715700000000, -0.0008481800000000, -0.0012162000000000 ] - [ -0.0000332700000000, -0.0006436700000000, -0.0004632900000000 ] - [ -0.0000280800000000, -0.0006539300000000, -0.0005370500000000 ] - [ -0.0022929600000000, -0.0061427100000000, 0.0037447200000000 ] - [ 0.0005811600000000, -0.0010580900000000, 0.0011624800000000 ] - [ -0.0000089400000000, -0.0005798200000000, 0.0004303800000000 ] - [ 0.0000438800000000, -0.0005931900000000, 0.0004212500000000 ] - [ 0.0000739100000000, 0.0007836600000000, 0.0000413700000000 ] - [ -0.0000257300000000, 0.0008100500000000, 0.0001876600000000 ] - [ -0.0000085900000000, 0.0003266600000000, -0.0006248100000000 ] - [ -0.0000813900000000, 0.0005796100000000, 0.0000519900000000 ] - [ 0.0008280200000000, 0.0009579700000000, 0.0011291100000000 ] - [ 0.0002444400000000, 0.0007546500000000, 0.0038264800000000 ] - [ -0.0000205000000000, 0.0008134000000000, -0.0002565600000000 ] - [ 0.0000186000000000, 0.0008723500000000, -0.0002233700000000 ] - [ -0.0000341700000000, -0.0002278400000000, -0.0002107700000000 ] - [ 0.0001900300000000, 0.0002167700000000, -0.0006908600000000 ] - [ 0.0004747000000000, 0.0021873500000000, 0.0000221600000000 ] - [ -0.0001453500000000, 0.0008396700000000, -0.0007911700000000 ] - [ -0.0001928400000000, -0.0021770600000000, -0.0014418200000000 ] - [ 0.0000744800000000, -0.0004282800000000, 0.0002479700000000 ] - [ 0.0008803400000000, -0.0012179200000000, -0.0026747500000000 ] - [ -0.0005792300000000, -0.0006258600000000, -0.0002188900000000 ] - [ 0.0723039400000000, 0.1231763400000000, -0.3052050300000000 ] - [ -0.0003064500000000, 0.0010881800000000, -0.0017191900000000 ] - [ 0.0000739700000000, -0.0004651800000000, 0.0002192800000000 ] - [ 0.0000299000000000, -0.0002886600000000, 0.0002073300000000 ] - [ 0.0000651400000000, 0.0005023900000000, 0.0005649200000000 ] - [ -0.0002483700000000, 0.0001715800000000, 0.0001084000000000 ] - [ -0.0003545900000000, -0.0035783900000000, 0.0032161400000000 ] - [ -0.0004593100000000, -0.0000820100000000, 0.0004186700000000 ] - [ 0.0008737800000000, 0.0084811100000000, 0.0014980200000000 ] - [ -0.0008013400000000, 0.0003056000000000, -0.0010803600000000 ] - [ 0.0001349100000000, -0.0009257100000000, -0.0008812000000000 ] - [ -0.0000779500000000, -0.0008469800000000, -0.0008473200000000 ] - [ 0.0052670500000000, -0.0052227100000000, 0.0602176900000000 ] - [ 0.0005766100000000, 0.0005311700000000, -0.0004050500000000 ] - [ 0.0003953900000000, -0.0004111400000000, -0.0007676200000000 ] - [ 0.0003902400000000, -0.0002802900000000, -0.0007328600000000 ] - [ 0.0004424500000000, -0.0005286700000000, 0.0044153900000000 ] - [ 0.0002290900000000, 0.0005653000000000, 0.0022820100000000 ] - [ 0.0003413000000000, -0.0004504300000000, 0.0014250300000000 ] - [ 0.0001601000000000, 0.0000586700000000, 0.0010927900000000 ] - [ 0.0015103300000000, 0.0009520700000000, -0.0002024800000000 ] - [ -0.0178168800000000, 0.0101804300000000, 0.0135650200000000 ] - [ 0.0001687100000000, -0.0002612400000000, 0.0001115000000000 ] - [ 0.0001545000000000, -0.0005066700000000, 0.0000986400000000 ] - [ 0.0007456400000000, -0.0004238300000000, 0.0015926500000000 ] - [ -0.0018161100000000, -0.0011021000000000, 0.0038306000000000 ] - [ -0.0000372600000000, -0.0005777000000000, 0.0009343200000000 ] - [ -0.0000811800000000, -0.0004819300000000, 0.0009885200000000 ] - [ -0.0009626700000000, 0.0002210100000000, 0.0012188600000000 ] - [ 0.0036105200000000, -0.0002805400000000, 0.0041968200000000 ] - [ -0.0000825500000000, -0.0004535800000000, -0.0006736700000000 ] - [ -0.0001070300000000, -0.0005628600000000, -0.0006519100000000 ] - [ -0.0009479800000000, 0.0006146600000000, 0.0014072700000000 ] - [ 0.0020125100000000, 0.0036397200000000, 0.0017816000000000 ] - [ 0.0001636300000000, -0.0007283800000000, 0.0004140100000000 ] - [ 0.0002899300000000, -0.0011740600000000, 0.0006632100000000 ] - [ -0.0007905700000000, -0.0005656000000000, 0.0005251700000000 ] - [ 0.0012794900000000, -0.0024599000000000, 0.0011521100000000 ] - [ -0.0013047800000000, 0.0009335400000000, 0.0001608100000000 ] - [ -0.0003399600000000, 0.0005129800000000, -0.0005964700000000 ] - [ 0.0013922200000000, -0.0001259900000000, -0.0033385000000000 ] - [ -0.0089538100000000, -0.0050264000000000, -0.0044806700000000 ] - [ -0.0002547500000000, 0.0000798700000000, -0.0011536100000000 ] - [ -0.0000967500000000, 0.0000264500000000, -0.0011820900000000 ] - [ 0.0008355700000000, -0.0313386500000000, 0.0001205800000000 ] - [ 0.0001087800000000, -0.0007527700000000, -0.0010542600000000 ] - [ -0.0002541800000000, -0.0008789700000000, -0.0006466700000000 ] - [ -0.0003593600000000, -0.0004344500000000, -0.0005185500000000 ] - [ -0.0004403600000000, -0.0003320100000000, 0.0003919800000000 ] - [ -0.0000489700000000, -0.0002440300000000, 0.0011405600000000 ] - [ -0.0000566900000000, 0.0002708700000000, 0.0003934400000000 ] - [ -0.0000943600000000, 0.0005760900000000, 0.0011399200000000 ] - [ -0.0035680600000000, 0.0004355600000000, 0.0003450300000000 ] - [ 0.0227240900000000, -0.0098168200000000, 0.0047498700000000 ] - [ -0.0000803800000000, 0.0003630000000000, 0.0007576700000000 ] - [ -0.0000768300000000, 0.0002795000000000, 0.0007258700000000 ] - [ -0.0000197200000000, 0.0004697600000000, -0.0016436900000000 ] - [ 0.0004561700000000, 0.0024141400000000, -0.0055148900000000 ] - [ 0.0001906300000000, -0.0003009200000000, -0.0006593900000000 ] - [ 0.0002618500000000, -0.0007612000000000, -0.0005828800000000 ] - [ -0.0001084100000000, 0.0041286700000000, 0.0107220200000000 ] - [ -0.0004299900000000, 0.0005718500000000, 0.0018610500000000 ] - [ -0.0000641500000000, -0.0001115300000000, 0.0005989100000000 ] - [ -0.0000589300000000, -0.0001109900000000, 0.0004630000000000 ] - [ -0.0053404600000000, -0.0144523500000000, 0.0301555600000000 ] - [ -0.0001784600000000, -0.0000220500000000, -0.0003215400000000 ] - [ 0.0003977500000000, -0.0001586600000000, -0.0007509600000000 ] - [ 0.0003540400000000, -0.0001282400000000, -0.0006541400000000 ] - [ -0.0000575800000000, 0.0005367800000000, 0.0013711100000000 ] - [ -0.0004246900000000, 0.0030502700000000, 0.0039550500000000 ] - [ -0.0002456800000000, -0.0002777300000000, 0.0008501300000000 ] - [ -0.0004956600000000, -0.0006627700000000, 0.0008155300000000 ]- atom: 73 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ 0.0011448700000000, 0.0006924500000000, -0.0098292600000000 ] - [ 0.0007736500000000, 0.0025147200000000, -0.0036452100000000 ] - [ -0.0004110600000000, -0.0010031900000000, 0.0000422400000000 ] - [ 0.0001672900000000, -0.0008310300000000, -0.0001640800000000 ] - [ 0.0005957600000000, 0.0013338400000000, -0.0009637300000000 ] - [ -0.0002172100000000, 0.0008067000000000, -0.0005838700000000 ] - [ 0.0025380400000000, -0.0029280500000000, -0.0006794500000000 ] - [ -0.0016650600000000, -0.0020683200000000, 0.0007711700000000 ] - [ 0.0024809700000000, 0.0021159500000000, 0.0059071600000000 ] - [ -0.0023475300000000, 0.0007894000000000, 0.0050673400000000 ] - [ -0.0000096900000000, -0.0003202800000000, 0.0002963900000000 ] - [ -0.0001915400000000, -0.0002835000000000, 0.0003611300000000 ] - [ -0.0037312100000000, -0.0032033200000000, 0.0029298800000000 ] - [ 0.0022561000000000, -0.0018022600000000, 0.0020953100000000 ] - [ 0.0001794400000000, 0.0001084900000000, 0.0000071900000000 ] - [ 0.0000726600000000, -0.0001824200000000, -0.0001270700000000 ] - [ 0.0017293300000000, -0.0001868400000000, 0.0038469300000000 ] - [ 0.0004315600000000, -0.0001151500000000, 0.0008839700000000 ] - [ -0.0004290900000000, -0.0021170400000000, 0.0013076000000000 ] - [ 0.0003232400000000, -0.0006529900000000, 0.0003790400000000 ] - [ 0.0056478500000000, -0.0065780600000000, -0.0089025900000000 ] - [ 0.0005303900000000, -0.0005364100000000, -0.0020293900000000 ] - [ 0.0004792900000000, -0.0008533500000000, -0.0023734700000000 ] - [ -0.0001591800000000, -0.0001288100000000, -0.0018706600000000 ] - [ 0.0003224700000000, 0.0004004700000000, -0.0013314600000000 ] - [ 0.0703708200000000, 0.0393465000000000, -0.1168223700000000 ] - [ -0.0005054900000000, -0.0007528000000000, 0.0002833200000000 ] - [ -0.0003309800000000, -0.0010521200000000, 0.0001215200000000 ] - [ -0.0017113800000000, 0.0009286900000000, 0.0023679200000000 ] - [ 0.0097587200000000, 0.0099504400000000, 0.0160746600000000 ] - [ -0.0006311800000000, -0.0003857400000000, 0.0006761100000000 ] - [ -0.0006943100000000, -0.0007026900000000, 0.0008061800000000 ] - [ 0.0000916600000000, 0.0000217300000000, -0.0001290000000000 ] - [ 0.0003392100000000, -0.0006547000000000, 0.0010972600000000 ] - [ -0.0004815300000000, 0.0018412100000000, -0.0000717600000000 ] - [ 0.0005888300000000, 0.0037852600000000, -0.0003223900000000 ] - [ -0.0039786200000000, -0.0040335100000000, 0.0148565800000000 ] - [ 0.0002501000000000, -0.0002370500000000, 0.0017280900000000 ] - [ -0.0001486500000000, -0.0002803000000000, 0.0005809100000000 ] - [ -0.0001147200000000, -0.0005942600000000, 0.0006005500000000 ] - [ -0.0183300900000000, 0.0257563300000000, -0.0767147300000000 ] - [ -0.0017459600000000, 0.0017029000000000, -0.0008488800000000 ] - [ -0.0000884300000000, 0.0000270000000000, 0.0003708200000000 ] - [ -0.0001168700000000, 0.0002484500000000, 0.0003765800000000 ] - [ -0.0001093400000000, 0.0011106400000000, -0.0008702800000000 ] - [ -0.0009203400000000, 0.0120833000000000, -0.0008180000000000 ] - [ -0.0000081300000000, -0.0009446900000000, -0.0005061400000000 ] - [ 0.0001255400000000, -0.0013619200000000, -0.0004622400000000 ] - [ 0.0001254500000000, -0.0006278200000000, 0.0002122200000000 ] - [ 0.0002420400000000, -0.0005881200000000, 0.0005463800000000 ] - [ 0.0000067900000000, -0.0007947600000000, -0.0002060100000000 ] - [ 0.0000016900000000, -0.0007844900000000, -0.0001322600000000 ] - [ 0.0023117700000000, 0.0047425100000000, -0.0029998700000000 ] - [ -0.0005513100000000, -0.0003797000000000, -0.0004900400000000 ] - [ 0.0000352100000000, -0.0008594600000000, 0.0002400800000000 ] - [ -0.0000177300000000, -0.0008456300000000, 0.0002479600000000 ] - [ -0.0000472200000000, 0.0006530600000000, 0.0006265300000000 ] - [ 0.0000520600000000, 0.0006277700000000, 0.0004810000000000 ] - [ 0.0000329600000000, 0.0011169100000000, 0.0012896000000000 ] - [ 0.0001094400000000, 0.0008595300000000, 0.0006163100000000 ] - [ -0.0008404900000000, 0.0004875700000000, -0.0018043900000000 ] - [ -0.0003018200000000, 0.0007148600000000, -0.0044721500000000 ] - [ -0.0000055700000000, 0.0006240100000000, -0.0004125900000000 ] - [ -0.0000453500000000, 0.0005645700000000, -0.0004460300000000 ] - [ 0.0001595600000000, 0.0012579700000000, -0.0014476400000000 ] - [ -0.0000624900000000, 0.0008144800000000, -0.0009707100000000 ] - [ -0.0003472700000000, -0.0011623000000000, -0.0016776000000000 ] - [ 0.0002717800000000, 0.0001914000000000, -0.0008684200000000 ] - [ 0.0005089600000000, 0.0017069800000000, 0.0031020300000000 ] - [ 0.0002400600000000, -0.0000415400000000, 0.0014124700000000 ] - [ -0.0005710000000000, 0.0008039800000000, 0.0043306800000000 ] - [ 0.0009018900000000, 0.0001630700000000, 0.0018858700000000 ] - [ -0.0648802100000000, -0.1247459600000000, 0.3059075800000000 ] - [ 0.0002667500000000, -0.0012038200000000, 0.0023371800000000 ] - [ -0.0001158600000000, 0.0003546900000000, 0.0003976600000000 ] - [ -0.0000703900000000, 0.0001776300000000, 0.0004099600000000 ] - [ -0.0004570900000000, -0.0001249200000000, -0.0009942500000000 ] - [ -0.0001446200000000, 0.0002001700000000, -0.0005373000000000 ] - [ -0.0000381600000000, 0.0038985600000000, -0.0036236800000000 ] - [ 0.0000703400000000, 0.0004490300000000, -0.0008519800000000 ] - [ -0.0007330500000000, -0.0094338000000000, -0.0031488600000000 ] - [ 0.0009208200000000, -0.0013352000000000, -0.0005850700000000 ] - [ -0.0000083800000000, -0.0001044700000000, -0.0007865900000000 ] - [ 0.0002059800000000, -0.0001814000000000, -0.0008173000000000 ] - [ -0.0044918900000000, 0.0054481700000000, -0.0627948500000000 ] - [ 0.0002118400000000, -0.0005762600000000, -0.0009197700000000 ] - [ 0.0003891400000000, 0.0003654000000000, -0.0005640800000000 ] - [ 0.0003950600000000, 0.0002340100000000, -0.0005997900000000 ] - [ -0.0001275900000000, 0.0010153400000000, -0.0027574700000000 ] - [ 0.0000851700000000, -0.0000914500000000, -0.0006155800000000 ] - [ -0.0000246800000000, 0.0009111200000000, 0.0002385700000000 ] - [ 0.0001540200000000, 0.0004109900000000, 0.0005691400000000 ] - [ -0.0011185100000000, -0.0005849900000000, 0.0006210000000000 ] - [ 0.0179362900000000, -0.0097019600000000, -0.0130216300000000 ] - [ 0.0002257600000000, 0.0006319400000000, 0.0003162100000000 ] - [ 0.0002376000000000, 0.0008779600000000, 0.0003284100000000 ] - [ -0.0008598700000000, -0.0006098800000000, 0.0000700300000000 ] - [ 0.0016637700000000, 0.0000618900000000, -0.0021665500000000 ] - [ -0.0000883700000000, -0.0004528000000000, 0.0007277400000000 ] - [ -0.0000465200000000, -0.0005476600000000, 0.0006731300000000 ] - [ 0.0006600400000000, -0.0006898200000000, -0.0028754100000000 ] - [ -0.0039647200000000, -0.0001731200000000, -0.0058563600000000 ] - [ -0.0002297800000000, -0.0000177800000000, -0.0009871900000000 ] - [ -0.0002090700000000, 0.0000922400000000, -0.0010087200000000 ] - [ 0.0013385600000000, -0.0009882800000000, -0.0009701700000000 ] - [ -0.0016371700000000, -0.0040275900000000, -0.0013406900000000 ] - [ 0.0002296700000000, 0.0003585100000000, 0.0000157000000000 ] - [ 0.0001006400000000, 0.0008026300000000, -0.0002310500000000 ] - [ 0.0000070800000000, 0.0005185300000000, 0.0008104600000000 ] - [ -0.0020604000000000, 0.0024026400000000, 0.0001819900000000 ] - [ 0.0005246400000000, -0.0009823800000000, 0.0011769100000000 ] - [ -0.0004457300000000, -0.0005608500000000, 0.0019447500000000 ] - [ -0.0017171100000000, 0.0006065300000000, 0.0016633200000000 ] - [ 0.0087442900000000, 0.0055742200000000, 0.0026756800000000 ] - [ -0.0000593000000000, 0.0003896600000000, -0.0005088500000000 ] - [ -0.0002192100000000, 0.0004428400000000, -0.0004822000000000 ] - [ -0.0012560000000000, 0.0309906600000000, -0.0003658900000000 ] - [ -0.0004983500000000, 0.0003802700000000, 0.0006239400000000 ] - [ -0.0001363700000000, 0.0005188100000000, 0.0002234300000000 ] - [ -0.0000315500000000, 0.0000673900000000, 0.0000909900000000 ] - [ 0.0004837400000000, 0.0002228200000000, -0.0010082500000000 ] - [ 0.0000874300000000, 0.0001365600000000, -0.0017512400000000 ] - [ 0.0001011900000000, -0.0003827700000000, -0.0010102800000000 ] - [ 0.0001310000000000, -0.0006938400000000, -0.0017513800000000 ] - [ 0.0034430100000000, 0.0005935700000000, 0.0013258600000000 ] - [ -0.0228592400000000, 0.0108549700000000, -0.0029134100000000 ] - [ -0.0000455100000000, 0.0006684600000000, 0.0009067400000000 ] - [ -0.0000503800000000, 0.0007529200000000, 0.0009373500000000 ] - [ 0.0000594100000000, -0.0003594400000000, 0.0010226100000000 ] - [ -0.0004139000000000, -0.0022963600000000, 0.0048804100000000 ] - [ -0.0001464100000000, 0.0004148300000000, 0.0000386900000000 ] - [ -0.0002207800000000, 0.0008824100000000, -0.0000388200000000 ] - [ 0.0000610500000000, -0.0040344500000000, -0.0101016000000000 ] - [ 0.0003878600000000, -0.0004624200000000, -0.0012426200000000 ] - [ 0.0000215300000000, 0.0002233600000000, 0.0000207300000000 ] - [ 0.0000168000000000, 0.0002226500000000, 0.0001554900000000 ] - [ 0.0060533300000000, 0.0142029700000000, -0.0309417600000000 ] - [ 0.0009647900000000, 0.0000667400000000, -0.0010220800000000 ] - [ 0.0003870200000000, 0.0002060400000000, -0.0005844800000000 ] - [ 0.0004296400000000, 0.0001754200000000, -0.0006799800000000 ] - [ -0.0007248700000000, -0.0004894100000000, -0.0000398400000000 ] - [ -0.0003614200000000, -0.0029987700000000, -0.0026210500000000 ] - [ -0.0005370100000000, 0.0003233400000000, 0.0004821600000000 ] - [ -0.0002954300000000, 0.0007044500000000, 0.0005109900000000 ]- atom: 77 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ 0.0000500600000000, 0.0000147800000000, 0.0001072400000000 ] - [ -0.0003131500000000, -0.0001717700000000, 0.0001265000000000 ] - [ 0.0004352400000000, -0.0008438800000000, 0.0006771000000000 ] - [ -0.0010989800000000, 0.0001165200000000, 0.0004428600000000 ] - [ 0.0074355900000000, -0.0008821100000000, -0.0025686800000000 ] - [ -0.0037472100000000, -0.0004263600000000, -0.0037892400000000 ] - [ 0.0002571400000000, 0.0001477100000000, -0.0001679800000000 ] - [ -0.0000725200000000, 0.0001095800000000, -0.0001751800000000 ] - [ -0.0001922300000000, 0.0018867600000000, 0.0007190200000000 ] - [ -0.0019265300000000, -0.0015570700000000, 0.0006563300000000 ] - [ 0.0008498400000000, -0.0015444500000000, -0.0000894800000000 ] - [ -0.0021989300000000, 0.0031991300000000, 0.0001719300000000 ] - [ 0.0000657300000000, 0.0008466300000000, -0.0018545500000000 ] - [ -0.0021149900000000, -0.0018474900000000, 0.0010979900000000 ] - [ 0.0003714700000000, -0.0002687300000000, -0.0001559900000000 ] - [ -0.0002209900000000, 0.0001050900000000, 0.0001330300000000 ] - [ 0.0714525700000000, 0.0532937600000000, -0.0278179100000000 ] - [ -0.0045477000000000, 0.0005808800000000, -0.0009055900000000 ] - [ 0.0009088200000000, -0.0000194600000000, -0.0004091000000000 ] - [ 0.0000696500000000, -0.0001010400000000, -0.0006326000000000 ] - [ 0.0042806900000000, 0.0012152300000000, -0.0000291700000000 ] - [ -0.0017180600000000, 0.0001114100000000, 0.0003839900000000 ] - [ 0.0007494000000000, 0.0002335100000000, -0.0005348500000000 ] - [ 0.0003668900000000, 0.0001080700000000, -0.0004626800000000 ] - [ -0.0010713000000000, 0.0004312300000000, 0.0005665400000000 ] - [ 0.0005898700000000, -0.0011901200000000, 0.0001795800000000 ] - [ -0.0028818300000000, -0.0018257900000000, 0.0001860000000000 ] - [ 0.0021098000000000, 0.0006179700000000, -0.0005023400000000 ] - [ -0.0013177500000000, 0.0007353100000000, 0.0003533600000000 ] - [ 0.0010201900000000, 0.0003198300000000, 0.0003942100000000 ] - [ -0.0018517100000000, -0.0009167800000000, 0.0003328600000000 ] - [ 0.0018398400000000, 0.0022170900000000, 0.0014944200000000 ] - [ -0.0017406800000000, -0.0003473900000000, -0.0019286300000000 ] - [ 0.0065445600000000, 0.0052059800000000, 0.0065628700000000 ] - [ -0.0000386200000000, 0.0006230700000000, -0.0004444800000000 ] - [ 0.0002494500000000, 0.0005483600000000, -0.0004429900000000 ] - [ 0.0001887500000000, -0.0004207700000000, 0.0007596900000000 ] - [ -0.0003181200000000, -0.0004798800000000, 0.0004523400000000 ] - [ 0.0622159900000000, -0.0272429900000000, -0.0008262900000000 ] - [ -0.0063905900000000, -0.0001764800000000, 0.0002236800000000 ] - [ 0.0005233300000000, 0.0005689300000000, 0.0002315200000000 ] - [ -0.0005312600000000, 0.0006869200000000, 0.0006134500000000 ] - [ 0.0002474400000000, 0.0004948800000000, 0.0007766200000000 ] - [ -0.0003530800000000, 0.0002338900000000, 0.0006539400000000 ] - [ -0.0016510600000000, 0.0010530400000000, 0.0005174400000000 ] - [ 0.0059623600000000, -0.0030023600000000, -0.0076213000000000 ] - [ -0.0003253700000000, -0.0010863200000000, -0.0005542500000000 ] - [ 0.0004325400000000, -0.0001459100000000, -0.0005438200000000 ] - [ 0.0000005200000000, -0.0006766400000000, -0.0003389100000000 ] - [ -0.0000334300000000, -0.0007254900000000, -0.0003224800000000 ] - [ -0.0034440400000000, -0.0023665200000000, -0.0028811000000000 ] - [ -0.0029251000000000, 0.0000043400000000, 0.0027182300000000 ] - [ -0.0003283700000000, -0.0006579700000000, 0.0005065300000000 ] - [ -0.0001252000000000, -0.0007207900000000, 0.0002343600000000 ] - [ 0.0000794400000000, -0.0007725900000000, 0.0003399400000000 ] - [ -0.0000531200000000, -0.0007698500000000, 0.0002619300000000 ] - [ 0.0017705900000000, -0.0010534000000000, -0.0042765000000000 ] - [ -0.0007214600000000, 0.0008542900000000, 0.0004320300000000 ] - [ 0.0000273300000000, 0.0007636500000000, 0.0003278100000000 ] - [ -0.0000086800000000, 0.0007345600000000, 0.0003317500000000 ] - [ 0.0000757700000000, 0.0009296200000000, -0.0002066100000000 ] - [ -0.0001342600000000, 0.0006446600000000, -0.0005059500000000 ] - [ 0.0000401600000000, 0.0005897500000000, -0.0002975500000000 ] - [ -0.0000890500000000, 0.0007521100000000, -0.0003831700000000 ] - [ -0.0041931300000000, 0.0004944200000000, 0.0014844500000000 ] - [ 0.0018031900000000, 0.0005842600000000, -0.0006357100000000 ] - [ -0.0000516200000000, 0.0004750200000000, -0.0008303100000000 ] - [ 0.0001751100000000, 0.0004620400000000, -0.0008400400000000 ] - [ -0.0026649900000000, -0.0007179500000000, -0.0013525000000000 ] - [ 0.0015510000000000, -0.0000239600000000, 0.0012840400000000 ] - [ 0.0000172300000000, -0.0002803600000000, 0.0008337700000000 ] - [ 0.0002886600000000, -0.0001926100000000, 0.0008549300000000 ] - [ -0.0005084300000000, -0.0001139400000000, 0.0005651900000000 ] - [ 0.0002608800000000, -0.0001755700000000, 0.0002567000000000 ] - [ -0.0006064600000000, 0.0001870900000000, 0.0001468300000000 ] - [ 0.0006857500000000, 0.0003074400000000, 0.0000437400000000 ] - [ -0.1627959700000000, -0.0184876300000000, 0.0431121900000000 ] - [ 0.0027543800000000, 0.0000989100000000, -0.0003888800000000 ] - [ -0.0003082100000000, 0.0000728800000000, -0.0002607000000000 ] - [ -0.0000572600000000, 0.0000934700000000, -0.0001845000000000 ] - [ -0.0024368600000000, -0.0017252700000000, -0.0011478100000000 ] - [ 0.0017297000000000, -0.0006920900000000, -0.0008230300000000 ] - [ -0.0002385900000000, -0.0004870800000000, -0.0008471100000000 ] - [ 0.0004381800000000, -0.0005065900000000, -0.0006347200000000 ] - [ -0.0000727200000000, -0.0002566900000000, -0.0003690700000000 ] - [ 0.0008087600000000, 0.0000139500000000, -0.0006903000000000 ] - [ -0.0002559500000000, -0.0001564300000000, -0.0009771000000000 ] - [ 0.0008375400000000, 0.0001684100000000, -0.0006473600000000 ] - [ -0.0046440500000000, -0.0098837800000000, 0.0056367900000000 ] - [ 0.0023376400000000, -0.0001561000000000, 0.0010836200000000 ] - [ -0.0001876300000000, 0.0002992600000000, 0.0008872600000000 ] - [ 0.0006926000000000, -0.0001424300000000, 0.0005712300000000 ] - [ 0.0005353600000000, -0.0007223200000000, -0.0001446500000000 ] - [ -0.0007911200000000, 0.0028347400000000, 0.0022625200000000 ] - [ 0.0005335600000000, 0.0010818800000000, 0.0003357500000000 ] - [ -0.0007879100000000, -0.0000121700000000, 0.0006221400000000 ] - [ 0.0000578700000000, -0.0006536800000000, 0.0008187800000000 ] - [ -0.0002101900000000, -0.0004090200000000, 0.0007766500000000 ] - [ 0.0081132000000000, 0.0026582900000000, 0.0013106800000000 ] - [ 0.0300707300000000, -0.0313375100000000, 0.0039943700000000 ] - [ 0.0004574700000000, -0.0008509700000000, -0.0006265400000000 ] - [ -0.0010269800000000, 0.0007321200000000, -0.0011445800000000 ] - [ -0.0000848800000000, 0.0003224800000000, -0.0006469200000000 ] - [ -0.0008249500000000, -0.0011269100000000, -0.0015024200000000 ] - [ 0.0003083600000000, -0.0004127000000000, 0.0002585500000000 ] - [ 0.0000168600000000, -0.0000215900000000, 0.0001498300000000 ] - [ 0.0010353200000000, 0.0004797300000000, 0.0006922200000000 ] - [ -0.0009008700000000, -0.0017518700000000, -0.0013319600000000 ] - [ 0.0002084800000000, -0.0000030900000000, 0.0009813400000000 ] - [ -0.0019876100000000, -0.0004770700000000, -0.0025387100000000 ] - [ -0.0003657700000000, -0.0000058900000000, 0.0006502000000000 ] - [ -0.0004443700000000, -0.0000237200000000, 0.0006494300000000 ] - [ -0.0001725300000000, 0.0000360300000000, -0.0008621200000000 ] - [ -0.0001166900000000, 0.0006502100000000, -0.0006838600000000 ] - [ 0.0018396800000000, 0.0028803000000000, -0.0024043800000000 ] - [ -0.0008325900000000, -0.0002661200000000, 0.0003381000000000 ] - [ -0.0010823900000000, -0.0003926300000000, -0.0001451100000000 ] - [ 0.0006052500000000, -0.0004238400000000, -0.0006934500000000 ] - [ -0.0003193500000000, -0.0001775200000000, -0.0002396600000000 ] - [ -0.0000284800000000, 0.0000150000000000, -0.0002529400000000 ] - [ 0.0026879200000000, -0.0005469900000000, 0.0010280300000000 ] - [ 0.0075473900000000, 0.0078972300000000, -0.0180394400000000 ] - [ 0.0001344300000000, -0.0001009300000000, -0.0003360700000000 ] - [ -0.0000742400000000, -0.0001520400000000, -0.0003504100000000 ] - [ 0.0001430100000000, 0.0002418500000000, 0.0008045300000000 ] - [ -0.0003473800000000, 0.0007033200000000, 0.0008786900000000 ] - [ 0.0000136200000000, 0.0008061900000000, 0.0007038700000000 ] - [ -0.0001375500000000, 0.0003908000000000, 0.0007377500000000 ] - [ 0.0018760300000000, -0.0012276500000000, -0.0014465800000000 ] - [ -0.0011179200000000, -0.0000868300000000, 0.0015114200000000 ] - [ 0.0001057200000000, 0.0002270900000000, -0.0003402000000000 ] - [ -0.0000441400000000, -0.0000811000000000, -0.0002122800000000 ] - [ -0.0004772800000000, -0.0003820700000000, 0.0002466500000000 ] - [ 0.0003595400000000, 0.0000608700000000, 0.0001455400000000 ] - [ -0.0102244900000000, 0.0008692600000000, 0.0012465800000000 ] - [ 0.0025139600000000, 0.0005695700000000, 0.0006287600000000 ] - [ -0.0000040500000000, 0.0001048700000000, -0.0008606700000000 ] - [ 0.0006939100000000, -0.0000479300000000, -0.0005288100000000 ] - [ -0.0094649500000000, 0.0034997200000000, -0.0031869300000000 ] - [ 0.0030178600000000, 0.0002528700000000, -0.0006173700000000 ] - [ 0.0021645100000000, -0.0015656300000000, 0.0005048900000000 ] - [ 0.0055882900000000, 0.0179561500000000, 0.0069376100000000 ] - [ -0.0002656700000000, 0.0001941400000000, 0.0008109300000000 ] - [ -0.0005783700000000, -0.0002017600000000, 0.0006809800000000 ]- atom: 77 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ -0.0002552200000000, -0.0002567200000000, 0.0002071100000000 ] - [ 0.0001055100000000, -0.0000699200000000, 0.0001873400000000 ] - [ -0.0006296000000000, 0.0005948400000000, -0.0003561500000000 ] - [ 0.0008852800000000, -0.0003646200000000, -0.0001303100000000 ] - [ -0.0069414500000000, 0.0010886700000000, 0.0018279800000000 ] - [ 0.0039447500000000, 0.0006719300000000, 0.0034850600000000 ] - [ -0.0000480400000000, 0.0000997200000000, -0.0001470000000000 ] - [ 0.0002777800000000, 0.0001366200000000, -0.0001390700000000 ] - [ -0.0000034300000000, -0.0016397500000000, -0.0004153600000000 ] - [ 0.0017182300000000, 0.0018044400000000, -0.0003441200000000 ] - [ -0.0010280000000000, 0.0017934100000000, 0.0003982000000000 ] - [ 0.0019850000000000, -0.0029672900000000, 0.0001367800000000 ] - [ 0.0001522700000000, -0.0010853300000000, 0.0015473300000000 ] - [ 0.0023192000000000, 0.0016063700000000, -0.0014093000000000 ] - [ -0.0001597700000000, 0.0000257500000000, -0.0001558600000000 ] - [ 0.0004228100000000, -0.0003476200000000, -0.0004459400000000 ] - [ -0.0703706900000000, -0.0555767400000000, 0.0276287300000000 ] - [ 0.0055893200000000, -0.0010195300000000, -0.0000420300000000 ] - [ 0.0001481500000000, -0.0004229400000000, -0.0005356700000000 ] - [ 0.0009939900000000, -0.0003497200000000, -0.0003094700000000 ] - [ -0.0032171000000000, -0.0007632800000000, -0.0009148500000000 ] - [ 0.0027697000000000, 0.0003399400000000, -0.0013185800000000 ] - [ 0.0003103800000000, 0.0002227000000000, -0.0004081200000000 ] - [ 0.0006952100000000, 0.0003424000000000, -0.0004788300000000 ] - [ 0.0000079000000000, -0.0008757900000000, 0.0003755400000000 ] - [ -0.0016553400000000, 0.0007447000000000, 0.0007615100000000 ] - [ 0.0018167800000000, 0.0013583300000000, 0.0007644400000000 ] - [ -0.0032209400000000, -0.0010584700000000, 0.0013986300000000 ] - [ 0.0002590600000000, -0.0002797500000000, 0.0005906600000000 ] - [ -0.0020852100000000, 0.0001321000000000, 0.0005514900000000 ] - [ 0.0007942400000000, 0.0013521300000000, 0.0006014500000000 ] - [ -0.0029630400000000, -0.0017577000000000, -0.0004923300000000 ] - [ 0.0019323800000000, 0.0013873500000000, 0.0009490100000000 ] - [ -0.0063758800000000, -0.0041865300000000, -0.0075263900000000 ] - [ 0.0002345100000000, 0.0004257000000000, -0.0005243200000000 ] - [ -0.0000556700000000, 0.0005019300000000, -0.0005240500000000 ] - [ -0.0003862400000000, -0.0006270900000000, 0.0002086700000000 ] - [ 0.0001198400000000, -0.0005669400000000, 0.0005165900000000 ] - [ -0.0621641600000000, 0.0275189700000000, 0.0016819300000000 ] - [ 0.0061732400000000, -0.0008662300000000, 0.0007396800000000 ] - [ -0.0007202700000000, 0.0004817400000000, 0.0007378500000000 ] - [ 0.0003389000000000, 0.0003623600000000, 0.0003547100000000 ] - [ -0.0004457300000000, 0.0005591000000000, 0.0001966100000000 ] - [ 0.0001586600000000, 0.0008103200000000, 0.0003160600000000 ] - [ 0.0018382000000000, -0.0020870300000000, -0.0014811200000000 ] - [ -0.0057777000000000, 0.0019369300000000, 0.0066633000000000 ] - [ 0.0005203500000000, 0.0000336900000000, -0.0004170100000000 ] - [ -0.0002401500000000, -0.0008976500000000, -0.0004258600000000 ] - [ -0.0000281800000000, -0.0007619000000000, -0.0003266900000000 ] - [ 0.0000060700000000, -0.0007126800000000, -0.0003431200000000 ] - [ 0.0033954100000000, 0.0009113700000000, 0.0021986800000000 ] - [ 0.0029090800000000, -0.0014437200000000, -0.0033947900000000 ] - [ 0.0003578100000000, -0.0007778600000000, 0.0001559200000000 ] - [ 0.0001511300000000, -0.0007175100000000, 0.0004316200000000 ] - [ -0.0000512700000000, -0.0006647700000000, 0.0003249900000000 ] - [ 0.0000788300000000, -0.0006692300000000, 0.0004039400000000 ] - [ -0.0016987600000000, 0.0024959000000000, 0.0049232300000000 ] - [ 0.0007474700000000, 0.0005845300000000, 0.0002316700000000 ] - [ -0.0000003600000000, 0.0006755700000000, 0.0003376500000000 ] - [ 0.0000354100000000, 0.0007045800000000, 0.0003338000000000 ] - [ -0.0001015300000000, 0.0005113700000000, -0.0004578000000000 ] - [ 0.0001063500000000, 0.0007936800000000, -0.0001594500000000 ] - [ -0.0000660200000000, 0.0008486100000000, -0.0003673600000000 ] - [ 0.0000619600000000, 0.0006870800000000, -0.0002825600000000 ] - [ 0.0043019700000000, 0.0005200900000000, -0.0031352900000000 ] - [ -0.0016715200000000, 0.0004367600000000, -0.0010044800000000 ] - [ 0.0001764200000000, 0.0005442000000000, -0.0008161800000000 ] - [ -0.0000494900000000, 0.0005568700000000, -0.0008053500000000 ] - [ 0.0029592800000000, 0.0002388600000000, 0.0030003200000000 ] - [ -0.0012383000000000, -0.0004556600000000, 0.0003699100000000 ] - [ 0.0002902600000000, -0.0002015900000000, 0.0008210900000000 ] - [ 0.0000192500000000, -0.0002879900000000, 0.0008013100000000 ] - [ 0.0004714600000000, 0.0000020300000000, 0.0000465000000000 ] - [ -0.0002971600000000, 0.0000618200000000, 0.0003552600000000 ] - [ 0.0005721000000000, -0.0002999900000000, 0.0004727200000000 ] - [ -0.0007212000000000, -0.0004120200000000, 0.0005636500000000 ] - [ 0.1624887200000000, 0.0195300000000000, -0.0438116200000000 ] - [ -0.0031219800000000, 0.0002693900000000, -0.0000403400000000 ] - [ -0.0000631200000000, 0.0002937500000000, -0.0001675600000000 ] - [ -0.0003179000000000, 0.0002771700000000, -0.0002451700000000 ] - [ 0.0025561800000000, 0.0007063300000000, -0.0004927100000000 ] - [ -0.0016026900000000, -0.0003324700000000, -0.0008255800000000 ] - [ 0.0003639000000000, -0.0005358200000000, -0.0007951700000000 ] - [ -0.0003134500000000, -0.0005103300000000, -0.0010105700000000 ] - [ 0.0008631000000000, 0.0002157100000000, -0.0009625300000000 ] - [ -0.0000168600000000, -0.0000570800000000, -0.0006417200000000 ] - [ 0.0010473000000000, 0.0001112600000000, -0.0003675100000000 ] - [ -0.0000473800000000, -0.0002042500000000, -0.0006805900000000 ] - [ 0.0049388000000000, 0.0103348300000000, -0.0039388700000000 ] - [ -0.0020216400000000, 0.0006300900000000, 0.0005746800000000 ] - [ 0.0004946300000000, 0.0001740100000000, 0.0007670300000000 ] - [ -0.0003855800000000, 0.0006285000000000, 0.0010870800000000 ] - [ -0.0001628000000000, 0.0010834100000000, 0.0005749700000000 ] - [ 0.0011625400000000, -0.0024762000000000, -0.0018390500000000 ] - [ -0.0001646200000000, -0.0007013200000000, 0.0000983000000000 ] - [ 0.0011698000000000, 0.0003782200000000, -0.0001888400000000 ] - [ -0.0001882500000000, -0.0003632300000000, 0.0008229400000000 ] - [ 0.0000844100000000, -0.0006110500000000, 0.0008681000000000 ] - [ -0.0081473200000000, -0.0036257400000000, 0.0003306100000000 ] - [ -0.0307428000000000, 0.0308935800000000, -0.0024287900000000 ] - [ -0.0007679100000000, 0.0003655800000000, -0.0010287900000000 ] - [ 0.0007219100000000, -0.0012158700000000, -0.0005117300000000 ] - [ -0.0002311200000000, -0.0007974300000000, -0.0010107300000000 ] - [ 0.0005362200000000, 0.0006419600000000, -0.0001551800000000 ] - [ 0.0000679400000000, 0.0000401800000000, 0.0001707500000000 ] - [ 0.0003573300000000, -0.0003514700000000, 0.0002801100000000 ] - [ -0.0006617600000000, -0.0008433000000000, -0.0002568300000000 ] - [ 0.0012863500000000, 0.0013916500000000, 0.0017538800000000 ] - [ -0.0009980900000000, -0.0000370500000000, 0.0003474100000000 ] - [ 0.0011973600000000, 0.0004426400000000, 0.0038750400000000 ] - [ -0.0004211800000000, -0.0000322000000000, 0.0006769600000000 ] - [ -0.0003459000000000, -0.0000161000000000, 0.0006779100000000 ] - [ -0.0001347800000000, 0.0004454100000000, -0.0007943100000000 ] - [ -0.0001922400000000, -0.0001717200000000, -0.0009718400000000 ] - [ -0.0021403900000000, -0.0023790900000000, 0.0007371200000000 ] - [ 0.0005374000000000, 0.0007527300000000, -0.0019885900000000 ] - [ 0.0007112100000000, 0.0000196700000000, -0.0002888000000000 ] - [ -0.0009807800000000, 0.0000470300000000, 0.0002606700000000 ] - [ -0.0000563900000000, -0.0001967300000000, -0.0001914300000000 ] - [ -0.0003444400000000, -0.0003821800000000, -0.0001789700000000 ] - [ -0.0026352700000000, 0.0004285800000000, -0.0016245100000000 ] - [ -0.0075848500000000, -0.0081061700000000, 0.0176723500000000 ] - [ -0.0000965000000000, -0.0000087400000000, -0.0002768600000000 ] - [ 0.0001131100000000, 0.0000398800000000, -0.0002628400000000 ] - [ -0.0002669600000000, 0.0007764600000000, 0.0008409500000000 ] - [ 0.0002199100000000, 0.0003139900000000, 0.0007636000000000 ] - [ -0.0001413300000000, 0.0002152400000000, 0.0009388500000000 ] - [ 0.0000168700000000, 0.0006290300000000, 0.0009077400000000 ] - [ -0.0018296300000000, 0.0013274700000000, 0.0008285100000000 ] - [ 0.0011580600000000, 0.0001976300000000, -0.0021214800000000 ] - [ -0.0000687000000000, -0.0001146700000000, -0.0002724200000000 ] - [ 0.0000830400000000, 0.0001901700000000, -0.0003983200000000 ] - [ 0.0004399500000000, 0.0004925300000000, 0.0003650200000000 ] - [ -0.0004012300000000, 0.0000475000000000, 0.0004663600000000 ] - [ 0.0102191200000000, -0.0009893300000000, -0.0007469300000000 ] - [ -0.0025464300000000, -0.0004502200000000, -0.0000057800000000 ] - [ 0.0007897000000000, -0.0000672100000000, -0.0004643200000000 ] - [ 0.0000895700000000, 0.0000847400000000, -0.0007970200000000 ] - [ 0.0102537600000000, -0.0036129900000000, 0.0019558900000000 ] - [ -0.0022220100000000, -0.0002070700000000, -0.0007195900000000 ] - [ -0.0029418300000000, 0.0015897700000000, 0.0008213700000000 ] - [ -0.0064163800000000, -0.0181304800000000, -0.0056953000000000 ] - [ -0.0005223200000000, -0.0001536600000000, 0.0005209200000000 ] - [ -0.0002079000000000, 0.0002410700000000, 0.0006498700000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001993800000000, -0.0023008300000000, 0.0004386200000000 ] - [ -0.0004654400000000, -0.0019907400000000, 0.0002447100000000 ] - [ -0.0009741100000000, 0.0026446000000000, 0.0002746300000000 ] - [ 0.0009041800000000, 0.0021009600000000, 0.0005749300000000 ] - [ -0.0004629100000000, 0.0112104000000000, -0.0000319300000000 ] - [ -0.0000744800000000, 0.0073614500000000, -0.0000525500000000 ] - [ -0.0000696200000000, -0.0024812900000000, -0.0001997800000000 ] - [ 0.0001498700000000, -0.0023635000000000, -0.0001149700000000 ] - [ 0.0045334300000000, -0.0055553200000000, -0.0031770900000000 ] - [ -0.0031039600000000, -0.0029970500000000, 0.0005178200000000 ] - [ -0.0053758800000000, -0.0049575700000000, 0.0006108800000000 ] - [ 0.0029301200000000, -0.0027279700000000, 0.0003343100000000 ] - [ 0.0042647800000000, 0.0016557900000000, 0.0061306700000000 ] - [ -0.0018501000000000, 0.0004506400000000, 0.0016116000000000 ] - [ -0.0007937500000000, -0.0023998700000000, -0.0009273600000000 ] - [ 0.0010216000000000, -0.0023783900000000, -0.0008947000000000 ] - [ 0.0508965700000000, 0.1347218900000000, -0.0412834300000000 ] - [ 0.0019484900000000, 0.0047330700000000, -0.0005609700000000 ] - [ 0.0011202900000000, -0.0055007700000000, -0.0003740700000000 ] - [ 0.0005070300000000, -0.0035049900000000, -0.0005573400000000 ] - [ 0.0018912800000000, 0.0055579600000000, -0.0016477500000000 ] - [ 0.0009988300000000, 0.0031564600000000, -0.0004817400000000 ] - [ 0.0004966300000000, -0.0034508200000000, 0.0000205100000000 ] - [ 0.0004194300000000, -0.0022567400000000, -0.0002155000000000 ] - [ -0.0003562700000000, -0.0024305600000000, 0.0000180700000000 ] - [ -0.0004652500000000, -0.0045608700000000, -0.0005535300000000 ] - [ -0.0007231800000000, 0.0007411300000000, 0.0017851400000000 ] - [ 0.0095266000000000, -0.0014299700000000, 0.0135237200000000 ] - [ 0.0004895300000000, -0.0027493800000000, 0.0012851700000000 ] - [ -0.0024858500000000, -0.0061696300000000, 0.0026198800000000 ] - [ -0.0010994100000000, 0.0018429500000000, -0.0010019500000000 ] - [ 0.0107585200000000, -0.0002743100000000, -0.0150473100000000 ] - [ 0.0001030300000000, 0.0041247400000000, 0.0001250300000000 ] - [ 0.0018348300000000, 0.0104090400000000, 0.0037011100000000 ] - [ 0.0001866600000000, -0.0017802700000000, -0.0005814000000000 ] - [ 0.0000858000000000, -0.0025125700000000, -0.0005867700000000 ] - [ -0.0003552200000000, -0.0043012800000000, -0.0002490400000000 ] - [ 0.0002316400000000, -0.0027899200000000, 0.0002974500000000 ] - [ -0.0329417600000000, 0.1074176500000000, -0.0058435500000000 ] - [ -0.0018202800000000, 0.0024639900000000, 0.0003354700000000 ] - [ -0.0004254000000000, 0.0008066000000000, 0.0013593700000000 ] - [ 0.0004397300000000, 0.0007626000000000, 0.0008467000000000 ] - [ 0.0009709200000000, -0.0024225900000000, 0.0001220800000000 ] - [ -0.0003416600000000, -0.0001646200000000, 0.0002941000000000 ] - [ -0.0000092900000000, 0.0002048000000000, -0.0019644500000000 ] - [ 0.0004706400000000, -0.0044042500000000, -0.0118579600000000 ] - [ 0.0001574400000000, -0.0021001700000000, -0.0001743900000000 ] - [ 0.0002166700000000, -0.0045775400000000, -0.0002357000000000 ] - [ 0.0000455700000000, -0.0013662200000000, -0.0002424500000000 ] - [ -0.0000439900000000, -0.0014275300000000, -0.0002440700000000 ] - [ -0.0019123800000000, 0.0009585700000000, -0.0014782100000000 ] - [ 0.0010616200000000, 0.0023685300000000, -0.0032454900000000 ] - [ 0.0008097600000000, -0.0004035100000000, -0.0005415200000000 ] - [ -0.0003242100000000, -0.0007016200000000, 0.0000487400000000 ] - [ -0.0002324000000000, -0.0014532900000000, 0.0006560900000000 ] - [ 0.0002630200000000, -0.0009637100000000, 0.0005120000000000 ] - [ -0.0004568000000000, 0.0053653800000000, -0.0023587700000000 ] - [ -0.0000132100000000, 0.0017371900000000, 0.0000872400000000 ] - [ 0.0000771500000000, -0.0001196700000000, 0.0004691800000000 ] - [ 0.0000054700000000, 0.0001604700000000, 0.0003951700000000 ] - [ 0.0001695700000000, 0.0008388300000000, -0.0003487200000000 ] - [ -0.0001883300000000, 0.0007241200000000, -0.0006891900000000 ] - [ -0.0002106200000000, 0.0004292200000000, -0.0002660500000000 ] - [ 0.0001265500000000, 0.0003023300000000, -0.0000094700000000 ] - [ -0.0007047400000000, -0.0047035300000000, -0.0010586400000000 ] - [ 0.0000604900000000, -0.0012252200000000, -0.0011665000000000 ] - [ 0.0000926200000000, 0.0020562700000000, -0.0007948500000000 ] - [ 0.0000342900000000, 0.0016709000000000, -0.0007624200000000 ] - [ -0.0007717200000000, -0.0038401300000000, 0.0003713200000000 ] - [ -0.0005117900000000, -0.0021903200000000, 0.0006899300000000 ] - [ 0.0007104700000000, 0.0017660200000000, 0.0007731300000000 ] - [ 0.0005418100000000, 0.0012040700000000, 0.0007778400000000 ] - [ -0.0001922300000000, 0.0012867600000000, 0.0006203400000000 ] - [ -0.0001522600000000, 0.0005754600000000, 0.0002931200000000 ] - [ -0.0002157200000000, 0.0013434200000000, -0.0034469400000000 ] - [ -0.0001151800000000, -0.0002025100000000, 0.0000443100000000 ] - [ -0.0143401700000000, -0.3895017200000000, 0.0761183300000000 ] - [ -0.0002809400000000, -0.0040091500000000, 0.0004963500000000 ] - [ -0.0003052900000000, 0.0039870200000000, -0.0005617500000000 ] - [ -0.0002861800000000, 0.0025919400000000, -0.0004847100000000 ] - [ -0.0018645800000000, 0.0017230800000000, 0.0041639400000000 ] - [ 0.0008931100000000, -0.0010516200000000, -0.0001163400000000 ] - [ 0.0001420700000000, 0.0016325400000000, -0.0012869900000000 ] - [ -0.0002831000000000, 0.0003860700000000, -0.0011210000000000 ] - [ 0.0007094500000000, 0.0015545900000000, -0.0024261400000000 ] - [ 0.0002407200000000, 0.0005328700000000, -0.0011569700000000 ] - [ 0.0001224600000000, 0.0012428900000000, 0.0031733400000000 ] - [ 0.0003225600000000, -0.0001791300000000, -0.0001972200000000 ] - [ -0.0029205700000000, 0.0306053700000000, -0.0163055500000000 ] - [ 0.0012979200000000, -0.0010486300000000, 0.0005228200000000 ] - [ -0.0002268800000000, 0.0040799000000000, 0.0011758600000000 ] - [ -0.0007255100000000, 0.0019713100000000, 0.0009835400000000 ] - [ -0.0006952900000000, 0.0007818200000000, 0.0011230300000000 ] - [ 0.0003902700000000, 0.0044205100000000, 0.0028870600000000 ] - [ 0.0010998100000000, 0.0007732900000000, -0.0004621900000000 ] - [ -0.0024723400000000, 0.0044235900000000, -0.0009810300000000 ] - [ -0.0003899800000000, 0.0009160300000000, 0.0009691500000000 ] - [ 0.0002423300000000, 0.0010909100000000, 0.0010164600000000 ] - [ 0.0044240600000000, -0.0018528800000000, 0.0006893800000000 ] - [ -0.0271787400000000, 0.0071482400000000, -0.0004262300000000 ] - [ -0.0026507900000000, 0.0015101800000000, -0.0017787300000000 ] - [ 0.0016641300000000, 0.0018465600000000, -0.0020767000000000 ] - [ 0.0013420400000000, 0.0000906300000000, 0.0003569800000000 ] - [ -0.0044067700000000, 0.0027871600000000, 0.0014616300000000 ] - [ -0.0000323600000000, 0.0021489100000000, -0.0002512200000000 ] - [ 0.0003570300000000, 0.0029139900000000, -0.0004347600000000 ] - [ 0.0008561500000000, -0.0028566300000000, 0.0010029700000000 ] - [ -0.0013767400000000, -0.0065243200000000, 0.0032343400000000 ] - [ -0.0007385900000000, -0.0018093400000000, 0.0005786400000000 ] - [ -0.0007341500000000, -0.0026627700000000, -0.0003768400000000 ] - [ -0.0003678600000000, 0.0012464500000000, 0.0003378300000000 ] - [ -0.0004727800000000, 0.0016317600000000, 0.0001326800000000 ] - [ 0.0000780500000000, 0.0016017500000000, -0.0007666400000000 ] - [ 0.0005631500000000, 0.0024072900000000, -0.0004912100000000 ] - [ -0.0000908700000000, -0.0017206700000000, -0.0013605200000000 ] - [ -0.0033508400000000, -0.0025227900000000, -0.0038453700000000 ] - [ 0.0000112500000000, -0.0017011300000000, -0.0004940900000000 ] - [ 0.0000412000000000, -0.0012846100000000, -0.0005390700000000 ] - [ -0.0002041900000000, 0.0024217400000000, 0.0000610600000000 ] - [ -0.0003934800000000, 0.0010434500000000, 0.0000136300000000 ] - [ -0.0012272400000000, -0.0029128900000000, -0.0010875800000000 ] - [ 0.0073141700000000, -0.0061852800000000, -0.0102544900000000 ] - [ 0.0001559600000000, 0.0016184200000000, 0.0001383600000000 ] - [ -0.0000630100000000, 0.0021896000000000, 0.0003835300000000 ] - [ -0.0006374200000000, 0.0008230400000000, 0.0003740700000000 ] - [ 0.0003058600000000, 0.0006711500000000, 0.0007359400000000 ] - [ 0.0002790100000000, 0.0007303500000000, 0.0009351300000000 ] - [ -0.0008650700000000, 0.0011781000000000, 0.0008081500000000 ] - [ 0.0001491100000000, -0.0016565500000000, 0.0004957500000000 ] - [ 0.0005952300000000, -0.0026123900000000, 0.0035239000000000 ] - [ -0.0000099900000000, 0.0013515000000000, -0.0008531100000000 ] - [ -0.0002259600000000, 0.0023075500000000, -0.0012992400000000 ] - [ 0.0006103100000000, 0.0037223100000000, 0.0010099000000000 ] - [ 0.0000707300000000, 0.0016496800000000, 0.0005600200000000 ] - [ -0.0074449100000000, 0.0491097100000000, 0.0317114800000000 ] - [ -0.0003813800000000, -0.0008489800000000, 0.0008726000000000 ] - [ 0.0004311200000000, 0.0021104500000000, -0.0007193700000000 ] - [ 0.0004799500000000, 0.0012038900000000, -0.0007177300000000 ] - [ -0.0046762300000000, 0.0372054400000000, -0.0377504700000000 ] - [ -0.0000317400000000, -0.0008131300000000, -0.0011960600000000 ] - [ -0.0022325700000000, -0.0012296800000000, 0.0012733400000000 ] - [ 0.0184139800000000, 0.0150363900000000, 0.0089897000000000 ] - [ -0.0000055600000000, 0.0014309300000000, 0.0008212600000000 ] - [ -0.0005260200000000, 0.0021106900000000, 0.0011453400000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004090900000000, 0.0020553800000000, -0.0001269600000000 ] - [ 0.0002595300000000, 0.0017436400000000, 0.0000678700000000 ] - [ 0.0007653200000000, -0.0028652400000000, 0.0000400900000000 ] - [ -0.0011097800000000, -0.0023338700000000, -0.0002586200000000 ] - [ 0.0005969100000000, -0.0109243200000000, -0.0002156000000000 ] - [ 0.0002769900000000, -0.0071209800000000, -0.0002638800000000 ] - [ 0.0002738100000000, 0.0027232700000000, -0.0001118500000000 ] - [ 0.0000599000000000, 0.0026054200000000, -0.0001970300000000 ] - [ -0.0047579300000000, 0.0058069000000000, 0.0035031800000000 ] - [ 0.0029000300000000, 0.0032365700000000, -0.0002087700000000 ] - [ 0.0051366100000000, 0.0051903400000000, -0.0002946500000000 ] - [ -0.0031341700000000, 0.0029856300000000, -0.0000192100000000 ] - [ -0.0040681500000000, -0.0019241000000000, -0.0064588600000000 ] - [ 0.0020455400000000, -0.0007157900000000, -0.0019166400000000 ] - [ 0.0009938400000000, 0.0021531500000000, 0.0006104000000000 ] - [ -0.0008092000000000, 0.0021339800000000, 0.0005794400000000 ] - [ -0.0545516600000000, -0.1419505100000000, 0.0439315900000000 ] - [ -0.0008832200000000, -0.0051909400000000, -0.0003880900000000 ] - [ -0.0000647800000000, 0.0050449800000000, -0.0005702200000000 ] - [ 0.0005411900000000, 0.0030576100000000, -0.0003877700000000 ] - [ -0.0008459400000000, -0.0051366000000000, 0.0007133300000000 ] - [ 0.0000602100000000, -0.0027104800000000, -0.0004671700000000 ] - [ 0.0005552700000000, 0.0038944300000000, -0.0009646000000000 ] - [ 0.0006294500000000, 0.0027059200000000, -0.0007295400000000 ] - [ -0.0006952300000000, 0.0019765800000000, 0.0009279400000000 ] - [ -0.0005792300000000, 0.0041082000000000, 0.0015010700000000 ] - [ -0.0003191800000000, -0.0011669600000000, -0.0008380600000000 ] - [ -0.0105346000000000, 0.0010041300000000, -0.0125667400000000 ] - [ -0.0015448300000000, 0.0031932800000000, -0.0003433100000000 ] - [ 0.0014559500000000, 0.0066269300000000, -0.0016829000000000 ] - [ 0.0000465600000000, -0.0013738300000000, 0.0019472500000000 ] - [ -0.0117505000000000, 0.0007651800000000, 0.0159538400000000 ] - [ 0.0000945800000000, -0.0030721700000000, -0.0010837800000000 ] - [ -0.0016585900000000, -0.0093173900000000, -0.0046291900000000 ] - [ 0.0000076500000000, 0.0028227900000000, -0.0003865800000000 ] - [ 0.0001099400000000, 0.0035537400000000, -0.0003819400000000 ] - [ 0.0001633100000000, 0.0032570100000000, 0.0012197000000000 ] - [ -0.0004282800000000, 0.0017445300000000, 0.0006705100000000 ] - [ 0.0284203000000000, -0.0991524600000000, 0.0057112900000000 ] - [ 0.0016410000000000, -0.0035037800000000, 0.0006343400000000 ] - [ 0.0002345200000000, 0.0002256600000000, -0.0003962100000000 ] - [ -0.0006369800000000, 0.0002733700000000, 0.0001202100000000 ] - [ -0.0011563700000000, 0.0034576000000000, 0.0008437600000000 ] - [ 0.0001461900000000, 0.0012143700000000, 0.0006722100000000 ] - [ 0.0002088100000000, -0.0012639600000000, 0.0009955300000000 ] - [ -0.0002664100000000, 0.0033600800000000, 0.0109084600000000 ] - [ 0.0000370200000000, 0.0010606400000000, -0.0007913600000000 ] - [ -0.0000181700000000, 0.0035285600000000, -0.0007299600000000 ] - [ -0.0000726000000000, -0.0000714700000000, -0.0004264800000000 ] - [ 0.0000178300000000, -0.0000110000000000, -0.0004243900000000 ] - [ 0.0019015600000000, -0.0023730400000000, 0.0008161900000000 ] - [ -0.0010998200000000, -0.0037954600000000, 0.0025940700000000 ] - [ -0.0007902900000000, -0.0010424900000000, 0.0012095400000000 ] - [ 0.0003510900000000, -0.0007374900000000, 0.0006206600000000 ] - [ 0.0002572600000000, 0.0000127800000000, 0.0000145500000000 ] - [ -0.0002353500000000, -0.0004728700000000, 0.0001576000000000 ] - [ 0.0004855400000000, -0.0038827900000000, 0.0030696000000000 ] - [ 0.0000385400000000, -0.0002954400000000, 0.0005804500000000 ] - [ -0.0000509600000000, 0.0015582700000000, 0.0001986800000000 ] - [ 0.0000212400000000, 0.0012773700000000, 0.0002737200000000 ] - [ -0.0001967100000000, 0.0005969300000000, -0.0003205800000000 ] - [ 0.0001618900000000, 0.0007123700000000, 0.0000209900000000 ] - [ 0.0001830000000000, 0.0010102200000000, -0.0004024400000000 ] - [ -0.0001523400000000, 0.0011361900000000, -0.0006585400000000 ] - [ 0.0008382800000000, 0.0057129800000000, -0.0006613300000000 ] - [ 0.0000666500000000, 0.0022518500000000, -0.0004983000000000 ] - [ 0.0000346900000000, -0.0010235100000000, -0.0008666600000000 ] - [ 0.0000916200000000, -0.0006388000000000, -0.0008999400000000 ] - [ 0.0010993000000000, 0.0033721300000000, 0.0013034700000000 ] - [ 0.0008237100000000, 0.0017213400000000, 0.0009707900000000 ] - [ -0.0003930600000000, -0.0022303700000000, 0.0008883600000000 ] - [ -0.0002269200000000, -0.0016706000000000, 0.0008838000000000 ] - [ 0.0001496300000000, -0.0013953300000000, -0.0000043200000000 ] - [ 0.0001104400000000, -0.0006826200000000, 0.0003240100000000 ] - [ 0.0001720000000000, -0.0014474600000000, 0.0040327700000000 ] - [ 0.0000702300000000, 0.0000854400000000, 0.0005761200000000 ] - [ 0.0234846300000000, 0.3863113400000000, -0.0792216800000000 ] - [ -0.0001142300000000, 0.0043762700000000, -0.0009226700000000 ] - [ -0.0000854600000000, -0.0036133000000000, 0.0001310500000000 ] - [ -0.0001046000000000, -0.0022200200000000, 0.0000556000000000 ] - [ 0.0020037700000000, -0.0027733100000000, -0.0058684900000000 ] - [ -0.0007740300000000, 0.0000246200000000, -0.0015464500000000 ] - [ -0.0000156400000000, -0.0026561300000000, -0.0003769600000000 ] - [ 0.0004083800000000, -0.0014174800000000, -0.0005421000000000 ] - [ 0.0000731400000000, -0.0016026500000000, 0.0011045700000000 ] - [ 0.0005465500000000, -0.0005748000000000, -0.0001745100000000 ] - [ 0.0006601200000000, -0.0012864100000000, -0.0044747100000000 ] - [ 0.0004605300000000, 0.0001276500000000, -0.0011366200000000 ] - [ 0.0032951900000000, -0.0306452800000000, 0.0183084800000000 ] - [ -0.0009845700000000, 0.0015257600000000, 0.0011433500000000 ] - [ 0.0005450900000000, -0.0036000200000000, 0.0004859900000000 ] - [ 0.0010416300000000, -0.0015044600000000, 0.0006783300000000 ] - [ 0.0010896600000000, -0.0004028000000000, -0.0006951200000000 ] - [ -0.0000027000000000, -0.0040455100000000, -0.0024550400000000 ] - [ -0.0007040200000000, -0.0004120600000000, 0.0008870800000000 ] - [ 0.0028427800000000, -0.0040433600000000, 0.0014135100000000 ] - [ 0.0002653400000000, -0.0019463400000000, 0.0006940200000000 ] - [ -0.0003718500000000, -0.0021197300000000, 0.0006454700000000 ] - [ -0.0045509900000000, 0.0007988900000000, 0.0009682100000000 ] - [ 0.0269461400000000, -0.0083051500000000, 0.0020679800000000 ] - [ 0.0023438600000000, -0.0019759800000000, 0.0001190400000000 ] - [ -0.0019920500000000, -0.0023041900000000, 0.0004163600000000 ] - [ -0.0016478300000000, -0.0005641800000000, -0.0020167500000000 ] - [ 0.0040543900000000, -0.0032464700000000, -0.0031235500000000 ] - [ 0.0004244000000000, -0.0025163900000000, 0.0006808300000000 ] - [ 0.0000314000000000, -0.0032799200000000, 0.0008641000000000 ] - [ -0.0004672200000000, 0.0024747900000000, -0.0005745100000000 ] - [ 0.0017628100000000, 0.0061179900000000, -0.0027960000000000 ] - [ -0.0000462900000000, 0.0017655700000000, 0.0007525400000000 ] - [ -0.0000450300000000, 0.0026179200000000, 0.0016870500000000 ] - [ -0.0004147300000000, -0.0012915000000000, 0.0009958900000000 ] - [ -0.0003133400000000, -0.0016753300000000, 0.0011994800000000 ] - [ -0.0003917900000000, -0.0011301600000000, -0.0008968500000000 ] - [ -0.0008799800000000, -0.0019363100000000, -0.0011721100000000 ] - [ -0.0002371700000000, 0.0021604800000000, -0.0002936100000000 ] - [ 0.0030176000000000, 0.0029754000000000, 0.0021734100000000 ] - [ -0.0004038400000000, 0.0013445100000000, 0.0000655100000000 ] - [ -0.0004316500000000, 0.0009208300000000, 0.0001100400000000 ] - [ -0.0001872400000000, -0.0027852600000000, -0.0004892400000000 ] - [ 0.0000014800000000, -0.0014153900000000, -0.0004430200000000 ] - [ 0.0012540200000000, 0.0028086600000000, 0.0004604000000000 ] - [ -0.0072024900000000, 0.0061604000000000, 0.0095560400000000 ] - [ -0.0001116100000000, -0.0017276100000000, -0.0007562100000000 ] - [ 0.0001023000000000, -0.0022975100000000, -0.0009998700000000 ] - [ 0.0005135600000000, 0.0002097500000000, 0.0012900200000000 ] - [ -0.0004360100000000, 0.0003652600000000, 0.0009269700000000 ] - [ -0.0004019200000000, 0.0002967900000000, 0.0007289500000000 ] - [ 0.0007321900000000, -0.0001475800000000, 0.0008540500000000 ] - [ -0.0001174700000000, 0.0017815400000000, -0.0011089200000000 ] - [ -0.0005531900000000, 0.0027346800000000, -0.0041496400000000 ] - [ 0.0000525400000000, -0.0012404100000000, 0.0002345200000000 ] - [ 0.0002657000000000, -0.0021935700000000, 0.0006800300000000 ] - [ -0.0006549500000000, -0.0036181800000000, -0.0003932300000000 ] - [ -0.0001117400000000, -0.0015365700000000, 0.0000588100000000 ] - [ 0.0073064200000000, -0.0481060600000000, -0.0305559000000000 ] - [ 0.0003365200000000, 0.0009531100000000, -0.0002582100000000 ] - [ 0.0003524500000000, -0.0020629500000000, -0.0006162800000000 ] - [ 0.0003038400000000, -0.0011551000000000, -0.0006161900000000 ] - [ 0.0053857200000000, -0.0365478300000000, 0.0358127200000000 ] - [ 0.0008097300000000, 0.0008546700000000, -0.0001349200000000 ] - [ 0.0014416800000000, 0.0012901700000000, 0.0000617600000000 ] - [ -0.0194568400000000, -0.0150924700000000, -0.0077183100000000 ] - [ -0.0007761600000000, -0.0013835200000000, 0.0005113900000000 ] - [ -0.0002614800000000, -0.0020614300000000, 0.0001892200000000 ]- atom: 77 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ -0.0001309700000000, 0.0001625100000000, -0.0002242100000000 ] - [ -0.0000582600000000, 0.0001594300000000, -0.0001883200000000 ] - [ -0.0009750200000000, -0.0009855000000000, -0.0036289700000000 ] - [ 0.0003391900000000, -0.0007927100000000, -0.0019417300000000 ] - [ -0.0032240300000000, 0.0000403500000000, 0.0081738900000000 ] - [ -0.0022601200000000, -0.0003490700000000, -0.0002215000000000 ] - [ 0.0001764000000000, 0.0005406500000000, 0.0000022800000000 ] - [ 0.0000483100000000, 0.0004543000000000, -0.0000231400000000 ] - [ -0.0012972700000000, 0.0010040400000000, 0.0027773200000000 ] - [ -0.0003501500000000, -0.0002748000000000, 0.0014161100000000 ] - [ 0.0000664700000000, 0.0011312600000000, 0.0032851800000000 ] - [ -0.0003235400000000, 0.0006126200000000, 0.0012761700000000 ] - [ -0.0021945000000000, 0.0014357100000000, -0.0027571800000000 ] - [ 0.0024592500000000, 0.0020087300000000, -0.0017002800000000 ] - [ -0.0001280700000000, -0.0002547000000000, -0.0004530200000000 ] - [ 0.0003099400000000, -0.0002679500000000, -0.0004680400000000 ] - [ -0.0265504900000000, -0.0438173700000000, 0.0488195600000000 ] - [ 0.0006883700000000, -0.0005622100000000, 0.0021705300000000 ] - [ 0.0009120000000000, -0.0001045900000000, 0.0002766900000000 ] - [ 0.0005789000000000, 0.0000951400000000, -0.0001201200000000 ] - [ -0.0015323600000000, -0.0007189000000000, -0.0066756000000000 ] - [ 0.0013213900000000, -0.0000594100000000, -0.0029593900000000 ] - [ 0.0005923000000000, 0.0007322700000000, -0.0010474200000000 ] - [ 0.0005642700000000, 0.0005976500000000, -0.0007846700000000 ] - [ -0.0003894600000000, -0.0004209800000000, 0.0003233400000000 ] - [ -0.0002471700000000, -0.0009754800000000, 0.0002839400000000 ] - [ 0.0012399400000000, 0.0011361700000000, 0.0008662000000000 ] - [ -0.0073583400000000, 0.0024443900000000, -0.0076735500000000 ] - [ -0.0009120600000000, 0.0010474400000000, 0.0003358000000000 ] - [ -0.0001410000000000, 0.0021800200000000, -0.0003382300000000 ] - [ -0.0010012100000000, -0.0004628700000000, 0.0010777100000000 ] - [ 0.0025538300000000, -0.0033518600000000, -0.0027452200000000 ] - [ 0.0001321000000000, 0.0002424200000000, -0.0013563500000000 ] - [ 0.0036143000000000, -0.0040244000000000, -0.0088330300000000 ] - [ 0.0000835900000000, 0.0008985400000000, -0.0005942100000000 ] - [ 0.0001056700000000, 0.0010087600000000, -0.0006935600000000 ] - [ 0.0000538100000000, 0.0000004600000000, 0.0013094900000000 ] - [ -0.0002292500000000, -0.0002729800000000, 0.0008154600000000 ] - [ -0.0026360000000000, -0.0052224000000000, 0.0453797100000000 ] - [ 0.0008501600000000, -0.0009030700000000, 0.0011507000000000 ] - [ -0.0001249200000000, 0.0006503500000000, -0.0005974900000000 ] - [ -0.0000996000000000, 0.0004496900000000, -0.0000563700000000 ] - [ -0.0002377200000000, 0.0010444400000000, -0.0020674000000000 ] - [ -0.0000124700000000, 0.0007868800000000, -0.0002764500000000 ] - [ 0.0005116200000000, -0.0016038800000000, 0.0002909800000000 ] - [ -0.0016610100000000, -0.0030792000000000, -0.0015875500000000 ] - [ 0.0001569700000000, 0.0002521300000000, -0.0003558800000000 ] - [ 0.0000941700000000, 0.0014499300000000, -0.0001810100000000 ] - [ -0.0000411600000000, -0.0006112900000000, -0.0003147400000000 ] - [ 0.0000076400000000, -0.0006040500000000, -0.0002810800000000 ] - [ -0.0008882800000000, -0.0012055800000000, 0.0007111500000000 ] - [ 0.0018020900000000, -0.0027087900000000, 0.0010366400000000 ] - [ 0.0002492700000000, -0.0006394800000000, -0.0004913600000000 ] - [ -0.0000434200000000, -0.0008400000000000, 0.0001709800000000 ] - [ 0.0000988100000000, -0.0002846800000000, 0.0000765600000000 ] - [ -0.0000933500000000, -0.0005899100000000, 0.0002569200000000 ] - [ -0.0026248200000000, -0.0034602000000000, -0.0038240000000000 ] - [ 0.0005178000000000, 0.0003002100000000, 0.0006456200000000 ] - [ -0.0000108500000000, 0.0008563500000000, 0.0003058600000000 ] - [ 0.0000317400000000, 0.0007959800000000, 0.0003467500000000 ] - [ -0.0000330700000000, 0.0004987000000000, -0.0005903900000000 ] - [ -0.0000610800000000, 0.0005509500000000, -0.0006716500000000 ] - [ 0.0000441800000000, 0.0008996600000000, -0.0004593400000000 ] - [ -0.0000608500000000, 0.0008988700000000, -0.0006150800000000 ] - [ 0.0001057000000000, 0.0029050800000000, 0.0090995700000000 ] - [ -0.0005982900000000, 0.0009128200000000, -0.0004766500000000 ] - [ 0.0000698300000000, 0.0003108000000000, -0.0007174500000000 ] - [ 0.0000441700000000, 0.0003748300000000, -0.0007911400000000 ] - [ 0.0017316500000000, 0.0004239200000000, 0.0062973300000000 ] - [ 0.0000131800000000, -0.0000327500000000, 0.0017758700000000 ] - [ 0.0000367900000000, -0.0005137800000000, 0.0009909100000000 ] - [ 0.0001035200000000, -0.0004431900000000, 0.0009399000000000 ] - [ 0.0000450000000000, 0.0000059900000000, 0.0010864500000000 ] - [ 0.0000153300000000, -0.0001147600000000, 0.0006292900000000 ] - [ 0.0001396600000000, -0.0014140600000000, 0.0037274300000000 ] - [ -0.0004361900000000, -0.0005233700000000, 0.0009388100000000 ] - [ 0.0437665900000000, 0.0786076600000000, -0.1167884300000000 ] - [ -0.0003736200000000, 0.0008988900000000, -0.0011525500000000 ] - [ -0.0002343100000000, -0.0001619600000000, -0.0005018900000000 ] - [ -0.0001578900000000, -0.0000849300000000, -0.0003211700000000 ] - [ 0.0000316500000000, 0.0024610800000000, 0.0001990100000000 ] - [ 0.0000080300000000, -0.0001942800000000, -0.0010078800000000 ] - [ -0.0000008500000000, -0.0015478200000000, -0.0008195000000000 ] - [ 0.0001214700000000, -0.0007939700000000, -0.0008671200000000 ] - [ 0.0002734500000000, -0.0004129400000000, 0.0002528300000000 ] - [ 0.0002674000000000, -0.0002461100000000, -0.0003067400000000 ] - [ 0.0005911100000000, 0.0011245500000000, 0.0014626000000000 ] - [ 0.0003798100000000, 0.0002346500000000, -0.0002920500000000 ] - [ 0.0015497600000000, -0.0126495300000000, -0.0004264800000000 ] - [ -0.0004282500000000, 0.0000618600000000, -0.0003539200000000 ] - [ 0.0003283700000000, 0.0007324300000000, 0.0004226300000000 ] - [ 0.0001441800000000, 0.0001234500000000, 0.0005816900000000 ] - [ 0.0003047600000000, 0.0008605100000000, -0.0000269200000000 ] - [ 0.0005936600000000, 0.0013764600000000, 0.0005708800000000 ] - [ -0.0001741500000000, -0.0007245200000000, -0.0000270400000000 ] - [ 0.0022388100000000, -0.0024857400000000, 0.0005749700000000 ] - [ 0.0000540500000000, -0.0007590600000000, 0.0006748100000000 ] - [ -0.0001889500000000, -0.0007111300000000, 0.0005570700000000 ] - [ -0.0014813400000000, -0.0010962300000000, -0.0004490600000000 ] - [ 0.0044378500000000, -0.0025454500000000, -0.0084304400000000 ] - [ 0.0006811300000000, -0.0009565800000000, -0.0008796900000000 ] - [ -0.0007232500000000, -0.0014476200000000, -0.0012031400000000 ] - [ 0.0000193900000000, -0.0000441100000000, -0.0012087400000000 ] - [ -0.0016772600000000, 0.0008541500000000, -0.0009947700000000 ] - [ 0.0002321300000000, -0.0006520300000000, 0.0003491300000000 ] - [ 0.0001228900000000, -0.0008367800000000, 0.0004655800000000 ] - [ 0.0006596600000000, 0.0006046400000000, 0.0002484200000000 ] - [ -0.0013531400000000, 0.0028491300000000, 0.0009499500000000 ] - [ -0.0000618000000000, 0.0000044700000000, 0.0020135800000000 ] - [ -0.0005854700000000, -0.0004070500000000, 0.0057362700000000 ] - [ -0.0003619100000000, -0.0002215500000000, 0.0008874700000000 ] - [ -0.0003476000000000, -0.0002823500000000, 0.0010095400000000 ] - [ -0.0001648200000000, 0.0001936500000000, -0.0007441900000000 ] - [ -0.0001500400000000, 0.0002865900000000, -0.0007140900000000 ] - [ -0.0021630000000000, -0.0022171800000000, 0.0012071800000000 ] - [ 0.0018350100000000, 0.0004331400000000, 0.0012154200000000 ] - [ -0.0001120900000000, 0.0000866000000000, 0.0013754200000000 ] - [ -0.0006663500000000, 0.0001370700000000, 0.0007376600000000 ] - [ -0.0002094400000000, -0.0004604000000000, 0.0003587200000000 ] - [ -0.0002239900000000, -0.0004133700000000, 0.0000004600000000 ] - [ 0.0012851800000000, 0.0000231900000000, -0.0007204100000000 ] - [ -0.0169768900000000, -0.0090519900000000, 0.0130530700000000 ] - [ 0.0000628400000000, -0.0002166600000000, -0.0004075900000000 ] - [ -0.0000140600000000, -0.0001704500000000, -0.0004205500000000 ] - [ 0.0000628300000000, 0.0004598700000000, 0.0012698900000000 ] - [ -0.0000086400000000, 0.0003749700000000, 0.0014276600000000 ] - [ -0.0000949000000000, 0.0003090600000000, 0.0012011200000000 ] - [ 0.0000224500000000, 0.0003947400000000, 0.0016124200000000 ] - [ -0.0016902800000000, 0.0016105800000000, 0.0008774600000000 ] - [ 0.0005510900000000, 0.0006488700000000, 0.0012576000000000 ] - [ -0.0000182600000000, -0.0002712500000000, -0.0001059200000000 ] - [ 0.0000309300000000, -0.0006022900000000, 0.0001425100000000 ] - [ -0.0001426800000000, -0.0010369600000000, -0.0001300400000000 ] - [ 0.0001187100000000, -0.0002544600000000, 0.0000019600000000 ] - [ -0.0022826500000000, 0.0249448500000000, 0.0004570300000000 ] - [ -0.0002255600000000, -0.0000156700000000, -0.0005381300000000 ] - [ 0.0002386700000000, 0.0001375600000000, -0.0011087800000000 ] - [ 0.0003920900000000, 0.0000667100000000, -0.0008171600000000 ] - [ 0.0046399800000000, -0.0348418600000000, 0.0151394300000000 ] - [ 0.0001748400000000, 0.0000515900000000, -0.0012428900000000 ] - [ -0.0012088500000000, 0.0008433900000000, -0.0008780900000000 ] - [ 0.0056231800000000, 0.0080105200000000, -0.0039273600000000 ] - [ -0.0004397600000000, -0.0002987500000000, 0.0003105800000000 ] - [ -0.0004448600000000, -0.0005040600000000, -0.0000736400000000 ]- atom: 77 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ -0.0000750800000000, -0.0004030600000000, 0.0005365900000000 ] - [ -0.0001486000000000, -0.0003992200000000, 0.0004999300000000 ] - [ 0.0007593400000000, 0.0007163600000000, 0.0039422000000000 ] - [ -0.0005449600000000, 0.0005419500000000, 0.0022516100000000 ] - [ 0.0039396700000000, 0.0001530500000000, -0.0089834900000000 ] - [ 0.0024639800000000, 0.0005850100000000, -0.0001191300000000 ] - [ 0.0000315800000000, -0.0002944100000000, -0.0003161400000000 ] - [ 0.0001577000000000, -0.0002082300000000, -0.0002890300000000 ] - [ 0.0010939500000000, -0.0007550500000000, -0.0024663500000000 ] - [ 0.0001328400000000, 0.0005096500000000, -0.0010971700000000 ] - [ -0.0002613700000000, -0.0008770500000000, -0.0029843100000000 ] - [ 0.0001007200000000, -0.0003449900000000, -0.0009671300000000 ] - [ 0.0023934200000000, -0.0016642400000000, 0.0024528200000000 ] - [ -0.0022508500000000, -0.0022453600000000, 0.0013941800000000 ] - [ 0.0003375400000000, 0.0000126500000000, 0.0001457700000000 ] - [ -0.0001074500000000, 0.0000284600000000, 0.0001617000000000 ] - [ 0.0271640300000000, 0.0422057500000000, -0.0500177600000000 ] - [ 0.0003605800000000, 0.0001038400000000, -0.0031132100000000 ] - [ 0.0001488400000000, -0.0003381800000000, -0.0012214800000000 ] - [ 0.0004795100000000, -0.0005416100000000, -0.0008233000000000 ] - [ 0.0026224900000000, 0.0011979200000000, 0.0057294800000000 ] - [ -0.0002780100000000, 0.0005076000000000, 0.0020260500000000 ] - [ 0.0004730500000000, -0.0002800200000000, 0.0001042700000000 ] - [ 0.0004950900000000, -0.0001468200000000, -0.0001588200000000 ] - [ -0.0006763000000000, -0.0000228900000000, 0.0006177500000000 ] - [ -0.0008082300000000, 0.0005248200000000, 0.0006537000000000 ] - [ -0.0023216500000000, -0.0016034000000000, 0.0000615900000000 ] - [ 0.0062899300000000, -0.0028963900000000, 0.0085746100000000 ] - [ -0.0001514800000000, -0.0005909600000000, 0.0006097100000000 ] - [ -0.0009150800000000, -0.0017245800000000, 0.0012856100000000 ] - [ -0.0000654800000000, 0.0009035100000000, -0.0001237600000000 ] - [ -0.0036444200000000, 0.0037952600000000, 0.0037581600000000 ] - [ 0.0000562100000000, 0.0008015900000000, 0.0003937300000000 ] - [ -0.0033473500000000, 0.0050567400000000, 0.0078683800000000 ] - [ 0.0001089500000000, 0.0001517200000000, -0.0003723400000000 ] - [ 0.0000902100000000, 0.0000432000000000, -0.0002748700000000 ] - [ -0.0002494700000000, -0.0010462500000000, -0.0003383400000000 ] - [ 0.0000299300000000, -0.0007727500000000, 0.0001544500000000 ] - [ 0.0027547100000000, 0.0038840700000000, -0.0442904600000000 ] - [ -0.0010498400000000, -0.0001495000000000, -0.0001859000000000 ] - [ -0.0000681200000000, 0.0004083700000000, 0.0015647300000000 ] - [ -0.0000945300000000, 0.0006031200000000, 0.0010252300000000 ] - [ 0.0000449600000000, 0.0000040500000000, 0.0030436100000000 ] - [ -0.0001862100000000, 0.0002588600000000, 0.0012502000000000 ] - [ -0.0003296700000000, 0.0005705500000000, -0.0012708100000000 ] - [ 0.0018935100000000, 0.0020293400000000, 0.0005539000000000 ] - [ 0.0000333100000000, -0.0013035500000000, -0.0006152100000000 ] - [ 0.0001055400000000, -0.0024950400000000, -0.0007872200000000 ] - [ 0.0000133200000000, -0.0008272100000000, -0.0003498100000000 ] - [ -0.0000354000000000, -0.0008344200000000, -0.0003834500000000 ] - [ 0.0008708000000000, -0.0002348200000000, -0.0013682100000000 ] - [ -0.0018483300000000, 0.0012657800000000, -0.0016673000000000 ] - [ -0.0002211100000000, -0.0007969500000000, 0.0011562600000000 ] - [ 0.0000692300000000, -0.0005983500000000, 0.0004929000000000 ] - [ -0.0000707300000000, -0.0011556100000000, 0.0005880100000000 ] - [ 0.0001196800000000, -0.0008497400000000, 0.0004072600000000 ] - [ 0.0026203100000000, 0.0048406000000000, 0.0044692000000000 ] - [ -0.0004905000000000, 0.0011358900000000, 0.0000222300000000 ] - [ 0.0000381700000000, 0.0005838800000000, 0.0003590900000000 ] - [ -0.0000047700000000, 0.0006438300000000, 0.0003184400000000 ] - [ 0.0000069700000000, 0.0009436800000000, -0.0000735500000000 ] - [ 0.0000331200000000, 0.0008902400000000, 0.0000059200000000 ] - [ -0.0000714700000000, 0.0005380600000000, -0.0002054400000000 ] - [ 0.0000335100000000, 0.0005398100000000, -0.0000503800000000 ] - [ 0.0000104000000000, -0.0018638700000000, -0.0105173700000000 ] - [ 0.0007237100000000, 0.0001090300000000, -0.0011700000000000 ] - [ 0.0000556400000000, 0.0007073700000000, -0.0009280600000000 ] - [ 0.0000823000000000, 0.0006437400000000, -0.0008548600000000 ] - [ -0.0014375200000000, -0.0009082400000000, -0.0046590200000000 ] - [ 0.0002990100000000, -0.0004493600000000, -0.0001195300000000 ] - [ 0.0002670500000000, 0.0000293500000000, 0.0006634500000000 ] - [ 0.0002034000000000, -0.0000388600000000, 0.0007162800000000 ] - [ -0.0000842000000000, -0.0001211200000000, -0.0004708600000000 ] - [ -0.0000493500000000, 0.0000007300000000, -0.0000166600000000 ] - [ -0.0001761100000000, 0.0013066400000000, -0.0031142100000000 ] - [ 0.0004040700000000, 0.0004174700000000, -0.0003289800000000 ] - [ -0.0444941200000000, -0.0768206200000000, 0.1167582600000000 ] - [ 0.0000058100000000, -0.0005210400000000, 0.0007213800000000 ] - [ -0.0001421900000000, 0.0005310200000000, 0.0000732700000000 ] - [ -0.0002161300000000, 0.0004552500000000, -0.0001089500000000 ] - [ 0.0000821400000000, -0.0035067300000000, -0.0018372700000000 ] - [ 0.0001253000000000, -0.0008287300000000, -0.0006346600000000 ] - [ 0.0001267800000000, 0.0005309700000000, -0.0008222100000000 ] - [ 0.0000056800000000, -0.0002249800000000, -0.0007763200000000 ] - [ 0.0005169500000000, 0.0003682400000000, -0.0015833400000000 ] - [ 0.0005241800000000, 0.0002027200000000, -0.0010239600000000 ] - [ 0.0001973000000000, -0.0011636900000000, -0.0028110000000000 ] - [ 0.0004087900000000, -0.0002718200000000, -0.0010394600000000 ] - [ -0.0012274100000000, 0.0130039500000000, 0.0021062600000000 ] - [ 0.0007364400000000, 0.0004212500000000, 0.0020053200000000 ] - [ -0.0000247200000000, -0.0002531700000000, 0.0012320600000000 ] - [ 0.0001622400000000, 0.0003598900000000, 0.0010714700000000 ] - [ 0.0000715700000000, -0.0004968600000000, 0.0004582100000000 ] - [ -0.0002275200000000, -0.0009923300000000, -0.0001235000000000 ] - [ 0.0005492600000000, 0.0011026000000000, 0.0004633100000000 ] - [ -0.0018742100000000, 0.0028539900000000, -0.0001352000000000 ] - [ -0.0001820700000000, -0.0002603700000000, 0.0009682500000000 ] - [ 0.0000595400000000, -0.0003084700000000, 0.0010862700000000 ] - [ 0.0013484200000000, 0.0000802800000000, 0.0021041500000000 ] - [ -0.0043660600000000, 0.0013701300000000, 0.0101179600000000 ] - [ -0.0009835400000000, 0.0004682300000000, -0.0007738700000000 ] - [ 0.0004163600000000, 0.0009637000000000, -0.0004564100000000 ] - [ -0.0003275700000000, -0.0004378700000000, -0.0004489100000000 ] - [ 0.0013818500000000, -0.0013485800000000, -0.0006729100000000 ] - [ 0.0001437800000000, 0.0002782600000000, 0.0000805000000000 ] - [ 0.0002509800000000, 0.0004635300000000, -0.0000353000000000 ] - [ -0.0002814600000000, -0.0009682200000000, 0.0001755800000000 ] - [ 0.0017201100000000, -0.0031972100000000, -0.0005426400000000 ] - [ -0.0007177700000000, -0.0000444400000000, -0.0006896800000000 ] - [ -0.0002268100000000, 0.0003611800000000, -0.0044118300000000 ] - [ -0.0004285900000000, 0.0001827400000000, 0.0004396400000000 ] - [ -0.0004408500000000, 0.0002435900000000, 0.0003165400000000 ] - [ -0.0001395300000000, 0.0002898700000000, -0.0009094600000000 ] - [ -0.0001581400000000, 0.0001979500000000, -0.0009385400000000 ] - [ 0.0018791100000000, 0.0027326600000000, -0.0028689800000000 ] - [ -0.0021423300000000, 0.0000589100000000, -0.0028577100000000 ] - [ -0.0002664000000000, -0.0004754800000000, -0.0018066900000000 ] - [ 0.0002933900000000, -0.0005147800000000, -0.0011709600000000 ] - [ -0.0001634600000000, 0.0000902300000000, -0.0007905700000000 ] - [ -0.0001481400000000, 0.0000455400000000, -0.0004329300000000 ] - [ -0.0012420200000000, -0.0001349800000000, 0.0001044800000000 ] - [ 0.0167407500000000, 0.0088208300000000, -0.0135443800000000 ] - [ -0.0000248300000000, 0.0001059200000000, -0.0002043900000000 ] - [ 0.0000499100000000, 0.0000578700000000, -0.0001917100000000 ] - [ -0.0001842500000000, 0.0005566000000000, 0.0003773000000000 ] - [ -0.0001217700000000, 0.0006385100000000, 0.0002167700000000 ] - [ -0.0000308600000000, 0.0007138600000000, 0.0004411000000000 ] - [ -0.0001481000000000, 0.0006263100000000, 0.0000313100000000 ] - [ 0.0017451400000000, -0.0015216900000000, -0.0014957400000000 ] - [ -0.0005240500000000, -0.0005558700000000, -0.0018530600000000 ] - [ 0.0000560100000000, 0.0003825800000000, -0.0005045500000000 ] - [ 0.0000074400000000, 0.0007110600000000, -0.0007506600000000 ] - [ 0.0001043700000000, 0.0011437500000000, 0.0007403400000000 ] - [ -0.0001554800000000, 0.0003632200000000, 0.0006078800000000 ] - [ 0.0022771600000000, -0.0247818300000000, -0.0000000900000000 ] - [ 0.0001966200000000, 0.0001272100000000, 0.0011442400000000 ] - [ 0.0005439000000000, -0.0000997600000000, -0.0002176500000000 ] - [ 0.0003944900000000, -0.0000300000000000, -0.0005083600000000 ] - [ -0.0038362600000000, 0.0352748200000000, -0.0165022100000000 ] - [ 0.0006275800000000, -0.0000109200000000, -0.0000744200000000 ] - [ 0.0004272700000000, -0.0008084300000000, 0.0022158800000000 ] - [ -0.0063831900000000, -0.0078937700000000, 0.0053021100000000 ] - [ -0.0003484700000000, 0.0003392700000000, 0.0010214200000000 ] - [ -0.0003469500000000, 0.0005427100000000, 0.0014041200000000 ]- atom: 85 displacement: [ 0.0099999945047465, 0.0000000000000000, -0.0000104835604254 ] forces: - [ 0.0009353700000000, 0.0041481100000000, -0.0036486000000000 ] - [ -0.0035374100000000, -0.0021402300000000, 0.0024905000000000 ] - [ 0.0000566800000000, -0.0004105200000000, 0.0000351100000000 ] - [ -0.0002905400000000, -0.0000421200000000, 0.0001762700000000 ] - [ 0.0003060000000000, -0.0000169900000000, -0.0001748500000000 ] - [ -0.0002319100000000, 0.0005023700000000, -0.0001652100000000 ] - [ 0.0004400400000000, 0.0006081500000000, -0.0007663700000000 ] - [ -0.0003534500000000, -0.0002238300000000, -0.0002601300000000 ] - [ 0.0006882000000000, 0.0000827600000000, 0.0022749500000000 ] - [ -0.0026527700000000, 0.0001347500000000, -0.0028950400000000 ] - [ 0.0000342900000000, 0.0000446200000000, 0.0001082200000000 ] - [ -0.0002535400000000, 0.0000209000000000, 0.0000960900000000 ] - [ -0.0006018200000000, -0.0066722700000000, 0.0020293600000000 ] - [ -0.0036397000000000, 0.0038892200000000, 0.0002845400000000 ] - [ 0.0003821500000000, 0.0001772400000000, 0.0000340600000000 ] - [ -0.0004443000000000, -0.0006886000000000, -0.0000365200000000 ] - [ 0.0037711400000000, 0.0002696700000000, -0.0005288800000000 ] - [ -0.0016008900000000, 0.0001902000000000, 0.0001083100000000 ] - [ 0.0019619800000000, -0.0005966500000000, -0.0016633500000000 ] - [ -0.0000988700000000, -0.0000947500000000, -0.0002701800000000 ] - [ 0.0027259300000000, 0.0006325200000000, -0.0008839200000000 ] - [ -0.0009054000000000, 0.0002355300000000, -0.0009194500000000 ] - [ 0.0026070600000000, 0.0005490900000000, 0.0008502000000000 ] - [ -0.0006806400000000, 0.0005058000000000, -0.0010334100000000 ] - [ -0.0027006500000000, -0.0006235900000000, -0.0003591600000000 ] - [ 0.0023477400000000, -0.0011849700000000, 0.0010373900000000 ] - [ -0.0006879500000000, -0.0002947200000000, 0.0004359800000000 ] - [ -0.0003193600000000, -0.0002401000000000, 0.0004756300000000 ] - [ -0.0070362000000000, 0.0017310200000000, 0.0009008200000000 ] - [ 0.0984605000000000, 0.0273649600000000, 0.0705180400000000 ] - [ -0.0007629600000000, -0.0000080000000000, 0.0005475900000000 ] - [ -0.0002295800000000, 0.0000661700000000, 0.0005205800000000 ] - [ -0.0007719800000000, -0.0002955500000000, -0.0005450500000000 ] - [ 0.0011040900000000, 0.0010611700000000, -0.0003201800000000 ] - [ -0.0016542300000000, 0.0025885200000000, -0.0002654600000000 ] - [ 0.0070329000000000, -0.0074723200000000, 0.0012279700000000 ] - [ 0.0017511700000000, 0.0003095400000000, 0.0006754100000000 ] - [ -0.0009574800000000, -0.0004660000000000, 0.0004424100000000 ] - [ 0.0001062600000000, -0.0005969000000000, 0.0004674700000000 ] - [ -0.0002705300000000, -0.0005337800000000, 0.0005184800000000 ] - [ 0.0624594200000000, -0.0106213400000000, -0.0210451200000000 ] - [ -0.0055536200000000, 0.0006882200000000, 0.0009293200000000 ] - [ 0.0000364000000000, 0.0004821200000000, 0.0005058800000000 ] - [ -0.0001883800000000, 0.0005433700000000, 0.0004971900000000 ] - [ -0.0009822700000000, -0.0007969000000000, -0.0006815800000000 ] - [ 0.0013397300000000, -0.0001109100000000, -0.0002767200000000 ] - [ -0.0000879200000000, -0.0003925500000000, -0.0005955600000000 ] - [ 0.0003568700000000, -0.0006854800000000, -0.0007004700000000 ] - [ 0.0000268700000000, -0.0004270600000000, -0.0000178200000000 ] - [ -0.0001891600000000, -0.0012207000000000, -0.0015718200000000 ] - [ 0.0000250600000000, -0.0008501800000000, -0.0002552300000000 ] - [ -0.0000495200000000, -0.0006250300000000, -0.0003701200000000 ] - [ 0.0001621200000000, -0.0007739300000000, 0.0001174100000000 ] - [ -0.0003612300000000, -0.0007034100000000, 0.0003764300000000 ] - [ 0.0000293500000000, -0.0006788800000000, 0.0003403000000000 ] - [ -0.0000069000000000, -0.0007325500000000, 0.0003202400000000 ] - [ 0.0000583000000000, 0.0005941000000000, 0.0004283500000000 ] - [ -0.0000361900000000, 0.0007623000000000, 0.0003212500000000 ] - [ 0.0004402400000000, 0.0014628800000000, 0.0008767000000000 ] - [ -0.0007475500000000, 0.0005575800000000, 0.0001254600000000 ] - [ 0.0000207800000000, 0.0002032300000000, -0.0012954000000000 ] - [ 0.0040283600000000, 0.0017700400000000, 0.0021195600000000 ] - [ 0.0000088100000000, 0.0007554000000000, -0.0003391100000000 ] - [ -0.0000392500000000, 0.0006903300000000, -0.0003135900000000 ] - [ -0.0007922900000000, 0.0009686900000000, -0.0008500300000000 ] - [ 0.0007314800000000, 0.0003482100000000, -0.0008280200000000 ] - [ -0.0032367500000000, -0.0006433500000000, -0.0015999800000000 ] - [ 0.0019223100000000, 0.0004619100000000, -0.0007615000000000 ] - [ -0.0001916400000000, -0.0000175000000000, 0.0010753700000000 ] - [ 0.0006047400000000, -0.0002209600000000, 0.0009863400000000 ] - [ -0.0016439500000000, -0.0017745200000000, 0.0015083900000000 ] - [ 0.0010651000000000, 0.0002033300000000, 0.0006435800000000 ] - [ -0.0097508000000000, -0.0000651700000000, 0.0049539300000000 ] - [ 0.0022923500000000, -0.0003465700000000, 0.0005053900000000 ] - [ -0.0001205700000000, -0.0000103800000000, 0.0003124100000000 ] - [ 0.0000489200000000, -0.0000553000000000, 0.0003069800000000 ] - [ -0.0006646100000000, 0.0005020300000000, -0.0003380000000000 ] - [ 0.0002178000000000, 0.0000339400000000, -0.0003418600000000 ] - [ -0.0008470600000000, -0.0000845700000000, -0.0000232300000000 ] - [ 0.0002466900000000, 0.0001142400000000, -0.0002281900000000 ] - [ -0.0007236400000000, -0.0004682200000000, -0.0009388200000000 ] - [ 0.0009602300000000, -0.0007623800000000, -0.0004954300000000 ] - [ -0.0001196900000000, -0.0005888400000000, -0.0007457400000000 ] - [ 0.0002152300000000, -0.0004911500000000, -0.0007972800000000 ] - [ -0.1858310500000000, -0.0191234100000000, -0.0467105400000000 ] - [ 0.0033180700000000, -0.0000391700000000, -0.0005247500000000 ] - [ 0.0002718700000000, 0.0000069400000000, -0.0007155300000000 ] - [ 0.0005168900000000, 0.0000434900000000, -0.0006679000000000 ] - [ -0.0028032100000000, 0.0015492800000000, -0.0015383300000000 ] - [ 0.0026398100000000, -0.0006483100000000, 0.0012107500000000 ] - [ -0.0003999000000000, 0.0004727400000000, 0.0008913400000000 ] - [ 0.0004678100000000, 0.0002219700000000, 0.0008968800000000 ] - [ 0.0007972200000000, 0.0005323100000000, 0.0005429500000000 ] - [ -0.0013834800000000, 0.0005260700000000, 0.0000192700000000 ] - [ 0.0002241600000000, 0.0001599000000000, 0.0002483900000000 ] - [ 0.0001463600000000, 0.0002636200000000, 0.0002595800000000 ] - [ 0.0003902200000000, -0.0008102400000000, 0.0006774000000000 ] - [ -0.0012422000000000, -0.0000438400000000, 0.0017490200000000 ] - [ 0.0000049200000000, -0.0004147700000000, 0.0007724200000000 ] - [ -0.0001505700000000, -0.0005845700000000, 0.0008623000000000 ] - [ 0.0049027800000000, -0.0004828500000000, -0.0041288900000000 ] - [ 0.0111715100000000, -0.0023182000000000, 0.0153346300000000 ] - [ -0.0001641500000000, -0.0002017800000000, -0.0008869200000000 ] - [ -0.0001910100000000, 0.0000015200000000, -0.0008100900000000 ] - [ 0.0027530200000000, -0.0020272600000000, -0.0005903900000000 ] - [ 0.0061786200000000, 0.0186271200000000, 0.0062162100000000 ] - [ 0.0003246000000000, 0.0002004900000000, 0.0001705600000000 ] - [ 0.0000096400000000, -0.0003192600000000, 0.0001670800000000 ] - [ 0.0004917100000000, 0.0006061200000000, 0.0011403300000000 ] - [ -0.0012472900000000, -0.0004171200000000, 0.0005228200000000 ] - [ 0.0004927200000000, -0.0009828400000000, 0.0007961300000000 ] - [ -0.0012543100000000, 0.0017197400000000, -0.0011353600000000 ] - [ 0.0013692800000000, 0.0002782600000000, 0.0012628300000000 ] - [ -0.0009040600000000, 0.0007772100000000, -0.0015409300000000 ] - [ -0.0001046700000000, 0.0003347500000000, -0.0007679700000000 ] - [ -0.0001975400000000, 0.0001336100000000, -0.0008200500000000 ] - [ -0.0100486600000000, 0.0047031000000000, 0.0038700000000000 ] - [ 0.0024235600000000, 0.0002397000000000, -0.0004280900000000 ] - [ -0.0005943800000000, -0.0002252200000000, -0.0003682700000000 ] - [ 0.0001059100000000, -0.0002747000000000, -0.0002136500000000 ] - [ 0.0015451700000000, 0.0007811900000000, -0.0012178100000000 ] - [ -0.0008919400000000, -0.0009280800000000, -0.0002583900000000 ] - [ 0.0003547200000000, -0.0006543100000000, -0.0007075500000000 ] - [ -0.0012412100000000, 0.0030363600000000, 0.0013505500000000 ] - [ 0.0069248100000000, 0.0014762400000000, 0.0028857700000000 ] - [ 0.0201764300000000, -0.0131700800000000, -0.0275979300000000 ] - [ -0.0000314300000000, 0.0004861400000000, 0.0008366000000000 ] - [ -0.0001206500000000, 0.0005970700000000, 0.0007878900000000 ] - [ 0.0005356400000000, 0.0003621000000000, 0.0000272400000000 ] - [ -0.0014302200000000, -0.0009495300000000, -0.0003545600000000 ] - [ 0.0002608000000000, -0.0001402400000000, -0.0001614100000000 ] - [ -0.0003574300000000, 0.0000682700000000, -0.0004110000000000 ] - [ -0.0051536600000000, -0.0030931600000000, -0.0054649400000000 ] - [ 0.0021914400000000, -0.0001119500000000, -0.0002543400000000 ] - [ -0.0001429100000000, 0.0001541300000000, 0.0003133600000000 ] - [ 0.0000919900000000, 0.0000901100000000, 0.0002715000000000 ] - [ -0.0004663900000000, -0.0001324700000000, -0.0007593100000000 ] - [ 0.0013653700000000, 0.0002633800000000, -0.0002341800000000 ] - [ 0.0003039300000000, 0.0000789500000000, -0.0006883700000000 ] - [ 0.0004910000000000, 0.0000182300000000, -0.0006520600000000 ] - [ 0.0001572500000000, 0.0002016000000000, 0.0005810200000000 ] - [ -0.0012337400000000, -0.0006211100000000, 0.0008211800000000 ] - [ -0.0002860800000000, -0.0000645800000000, 0.0006915300000000 ] - [ -0.0005205900000000, 0.0002628400000000, 0.0010724700000000 ]- atom: 85 displacement: [ -0.0099999945047465, 0.0000000000000000, 0.0000104835604254 ] forces: - [ -0.0010054600000000, -0.0045419000000000, 0.0040523700000000 ] - [ 0.0033235200000000, 0.0019033800000000, -0.0021841700000000 ] - [ -0.0002579200000000, 0.0001702700000000, 0.0002743900000000 ] - [ 0.0000805500000000, -0.0002004900000000, 0.0001363700000000 ] - [ -0.0000913800000000, 0.0002635700000000, -0.0001335400000000 ] - [ 0.0004338100000000, -0.0002587900000000, -0.0001473100000000 ] - [ -0.0002280000000000, -0.0003648400000000, 0.0004512300000000 ] - [ 0.0005563600000000, 0.0004664300000000, -0.0000511900000000 ] - [ -0.0008830800000000, 0.0001568600000000, -0.0019509000000000 ] - [ 0.0024452900000000, 0.0001093800000000, 0.0032162600000000 ] - [ -0.0002399700000000, 0.0002010300000000, 0.0002051000000000 ] - [ 0.0000450800000000, 0.0002243900000000, 0.0002178900000000 ] - [ 0.0009430600000000, 0.0065754400000000, -0.0023733700000000 ] - [ 0.0038421300000000, -0.0041471900000000, -0.0005997900000000 ] - [ -0.0001725500000000, -0.0004199000000000, -0.0003473600000000 ] - [ 0.0006497500000000, 0.0004472900000000, -0.0002773500000000 ] - [ -0.0027334800000000, -0.0007167600000000, -0.0004150800000000 ] - [ 0.0026580500000000, -0.0006467200000000, -0.0010451800000000 ] - [ -0.0009092100000000, 0.0001452400000000, 0.0007221700000000 ] - [ 0.0011540500000000, -0.0003520700000000, -0.0006710400000000 ] - [ -0.0017305900000000, -0.0001179400000000, -0.0000431300000000 ] - [ 0.0019640100000000, 0.0002058700000000, -0.0000302200000000 ] - [ -0.0015505300000000, -0.0001008900000000, -0.0017935600000000 ] - [ 0.0017333300000000, -0.0000507100000000, 0.0000864100000000 ] - [ 0.0016475100000000, 0.0001722900000000, 0.0012956300000000 ] - [ -0.0034750900000000, 0.0007046000000000, -0.0000441300000000 ] - [ -0.0003672800000000, -0.0001536000000000, 0.0005078500000000 ] - [ -0.0007394200000000, -0.0002042800000000, 0.0004683700000000 ] - [ 0.0059693200000000, -0.0012779000000000, 0.0000479300000000 ] - [ -0.1009767000000000, -0.0283721200000000, -0.0731145500000000 ] - [ -0.0002943100000000, 0.0004580800000000, 0.0003955200000000 ] - [ -0.0008273500000000, 0.0003868900000000, 0.0004231000000000 ] - [ 0.0009649900000000, 0.0013358100000000, -0.0004242500000000 ] - [ -0.0009097400000000, -0.0000095500000000, -0.0006551900000000 ] - [ 0.0018445400000000, -0.0015324900000000, -0.0007013900000000 ] - [ -0.0068572800000000, 0.0085222200000000, -0.0022097700000000 ] - [ -0.0019638300000000, -0.0013693500000000, 0.0002862500000000 ] - [ 0.0007628100000000, -0.0005744900000000, 0.0005283800000000 ] - [ -0.0003015600000000, -0.0004455000000000, 0.0005015900000000 ] - [ 0.0000762900000000, -0.0005132900000000, 0.0004497100000000 ] - [ -0.0623028500000000, 0.0120921200000000, 0.0229473000000000 ] - [ 0.0053515200000000, 0.0003575700000000, 0.0000405500000000 ] - [ -0.0002311500000000, 0.0005651500000000, 0.0004610000000000 ] - [ -0.0000071000000000, 0.0005035600000000, 0.0004703000000000 ] - [ 0.0011792700000000, -0.0002491300000000, -0.0002853600000000 ] - [ -0.0011591500000000, -0.0009335500000000, -0.0006820600000000 ] - [ 0.0002817700000000, -0.0006505100000000, -0.0003724700000000 ] - [ -0.0001619000000000, -0.0003593100000000, -0.0002668400000000 ] - [ -0.0000531500000000, -0.0010102800000000, -0.0006475400000000 ] - [ 0.0001620000000000, -0.0002173100000000, 0.0009071000000000 ] - [ -0.0000511800000000, -0.0005889500000000, -0.0004112700000000 ] - [ 0.0000227200000000, -0.0008130500000000, -0.0002974900000000 ] - [ -0.0001300100000000, -0.0006591900000000, 0.0005610700000000 ] - [ 0.0003883600000000, -0.0007365600000000, 0.0002881800000000 ] - [ -0.0000023100000000, -0.0007591100000000, 0.0003268800000000 ] - [ 0.0000333700000000, -0.0007056000000000, 0.0003469200000000 ] - [ -0.0000304300000000, 0.0008438400000000, 0.0002390800000000 ] - [ 0.0000622500000000, 0.0006757300000000, 0.0003456100000000 ] - [ -0.0004114600000000, -0.0000216400000000, -0.0002083200000000 ] - [ 0.0007737400000000, 0.0008819500000000, 0.0005413900000000 ] - [ -0.0000406300000000, 0.0012332300000000, 0.0006254000000000 ] - [ -0.0041221000000000, -0.0003052100000000, -0.0027390800000000 ] - [ -0.0000354700000000, 0.0006835600000000, -0.0003283400000000 ] - [ 0.0000124500000000, 0.0007482700000000, -0.0003536800000000 ] - [ 0.0009142300000000, 0.0000541800000000, -0.0008003400000000 ] - [ -0.0006043700000000, 0.0006785700000000, -0.0008241400000000 ] - [ 0.0033616100000000, 0.0016752500000000, -0.0000492200000000 ] - [ -0.0017940000000000, 0.0005599500000000, -0.0008925500000000 ] - [ 0.0004978900000000, -0.0004844300000000, 0.0005763400000000 ] - [ -0.0002916700000000, -0.0002523900000000, 0.0006739400000000 ] - [ 0.0019459800000000, 0.0012993800000000, 0.0001533700000000 ] - [ -0.0007527700000000, -0.0006813100000000, 0.0010168500000000 ] - [ 0.0097202000000000, -0.0000344600000000, -0.0045850800000000 ] - [ -0.0023296100000000, 0.0002313000000000, 0.0001145000000000 ] - [ 0.0000809600000000, -0.0001027900000000, 0.0003034900000000 ] - [ -0.0000891200000000, -0.0000564600000000, 0.0003084200000000 ] - [ 0.0002835500000000, -0.0001362600000000, -0.0000918800000000 ] - [ -0.0006001900000000, 0.0003404100000000, -0.0000905200000000 ] - [ 0.0004636500000000, 0.0004608300000000, -0.0004077100000000 ] - [ -0.0006299300000000, 0.0002540800000000, -0.0002030800000000 ] - [ 0.0008529600000000, -0.0005620900000000, -0.0007264300000000 ] - [ -0.0008387800000000, -0.0002604700000000, -0.0011602900000000 ] - [ 0.0002459700000000, -0.0004369400000000, -0.0009069500000000 ] - [ -0.0000892300000000, -0.0005342600000000, -0.0008553100000000 ] - [ 0.1881670300000000, 0.0202211200000000, 0.0481379300000000 ] - [ -0.0025255600000000, -0.0000042700000000, -0.0008062500000000 ] - [ 0.0005147500000000, -0.0000511400000000, -0.0006151800000000 ] - [ 0.0002698700000000, -0.0000863100000000, -0.0006627900000000 ] - [ 0.0031098900000000, -0.0010867400000000, 0.0032167700000000 ] - [ -0.0023310200000000, 0.0011301300000000, 0.0004466200000000 ] - [ 0.0007102000000000, 0.0000039200000000, 0.0007652400000000 ] - [ -0.0001559000000000, 0.0002533800000000, 0.0007616900000000 ] - [ -0.0004191700000000, -0.0001587600000000, -0.0001096800000000 ] - [ 0.0017871700000000, -0.0001602800000000, 0.0004044700000000 ] - [ 0.0001587500000000, 0.0002096600000000, 0.0001820300000000 ] - [ 0.0002355100000000, 0.0001054500000000, 0.0001712600000000 ] - [ -0.0005200000000000, -0.0002151000000000, 0.0009730700000000 ] - [ 0.0011217000000000, -0.0009826400000000, -0.0001000500000000 ] - [ -0.0001318400000000, -0.0006097600000000, 0.0008790200000000 ] - [ 0.0000289200000000, -0.0004419400000000, 0.0007931400000000 ] - [ -0.0051896600000000, 0.0000141800000000, 0.0024421000000000 ] - [ -0.0116245100000000, 0.0019047000000000, -0.0172393100000000 ] - [ -0.0001464500000000, -0.0002762700000000, -0.0007735500000000 ] - [ -0.0001201500000000, -0.0004781600000000, -0.0008491200000000 ] - [ -0.0023616600000000, 0.0016460200000000, 0.0010172000000000 ] - [ -0.0058321100000000, -0.0192276100000000, -0.0058578200000000 ] - [ 0.0000570800000000, -0.0005696700000000, 0.0002597000000000 ] - [ 0.0003723900000000, -0.0000540400000000, 0.0002648300000000 ] - [ -0.0012789600000000, -0.0006446600000000, 0.0001922600000000 ] - [ 0.0004717000000000, 0.0003658400000000, 0.0008132100000000 ] - [ -0.0012778000000000, 0.0009360000000000, 0.0005349600000000 ] - [ 0.0004704000000000, -0.0017643600000000, 0.0024683400000000 ] - [ -0.0016809800000000, 0.0001991100000000, -0.0029133100000000 ] - [ 0.0006082800000000, -0.0002939400000000, -0.0001198800000000 ] - [ -0.0002092200000000, 0.0001402700000000, -0.0008904200000000 ] - [ -0.0001111400000000, 0.0003416900000000, -0.0008394600000000 ] - [ 0.0096660200000000, -0.0052818600000000, -0.0044776500000000 ] - [ -0.0028086500000000, -0.0006027000000000, -0.0000000300000000 ] - [ 0.0002105100000000, -0.0001469500000000, -0.0000609000000000 ] - [ -0.0004888600000000, -0.0000991100000000, -0.0002169300000000 ] - [ -0.0015006900000000, -0.0008871900000000, 0.0005985800000000 ] - [ 0.0009371000000000, 0.0008182300000000, -0.0003546600000000 ] - [ -0.0003148900000000, 0.0005401600000000, 0.0000891400000000 ] - [ 0.0012838600000000, -0.0031608200000000, -0.0019727800000000 ] - [ -0.0069911800000000, -0.0004348700000000, -0.0012020600000000 ] - [ -0.0207378900000000, 0.0144266700000000, 0.0297266600000000 ] - [ -0.0000949800000000, 0.0005366000000000, 0.0008166700000000 ] - [ -0.0000039700000000, 0.0004274900000000, 0.0008658200000000 ] - [ -0.0005011200000000, -0.0002481400000000, -0.0006396400000000 ] - [ 0.0014919100000000, 0.0010624600000000, -0.0002667600000000 ] - [ -0.0002212300000000, 0.0002492100000000, -0.0004513800000000 ] - [ 0.0003977800000000, 0.0000416500000000, -0.0002023700000000 ] - [ 0.0051246400000000, 0.0031872900000000, 0.0060381600000000 ] - [ -0.0022306000000000, 0.0002179700000000, 0.0008650700000000 ] - [ 0.0001027600000000, -0.0000442200000000, 0.0003007900000000 ] - [ -0.0001329800000000, 0.0000215100000000, 0.0003421100000000 ] - [ 0.0012577100000000, 0.0001863200000000, -0.0005893200000000 ] - [ -0.0005793600000000, -0.0002230500000000, -0.0010960700000000 ] - [ 0.0004817500000000, -0.0000381500000000, -0.0006425500000000 ] - [ 0.0002956000000000, 0.0000249500000000, -0.0006786300000000 ] - [ -0.0009500900000000, -0.0001570300000000, 0.0007474700000000 ] - [ 0.0004514900000000, 0.0006660800000000, 0.0005029200000000 ] - [ -0.0005019900000000, 0.0001059700000000, 0.0006383900000000 ] - [ -0.0002657900000000, -0.0002201900000000, 0.0002571000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030640400000000, 0.0038819200000000, 0.0041842200000000 ] - [ -0.0024299200000000, 0.0022833300000000, 0.0031467300000000 ] - [ -0.0007807900000000, -0.0022540500000000, 0.0004331200000000 ] - [ 0.0003243000000000, -0.0016543500000000, 0.0000835800000000 ] - [ -0.0008380700000000, -0.0006831600000000, -0.0010304300000000 ] - [ 0.0007223500000000, -0.0006946100000000, -0.0005283100000000 ] - [ 0.0007855000000000, -0.0001693200000000, -0.0000354600000000 ] - [ -0.0003573300000000, 0.0000791700000000, -0.0004616700000000 ] - [ 0.0004122100000000, 0.0039913500000000, -0.0001234600000000 ] - [ -0.0000151800000000, 0.0021301000000000, 0.0003387000000000 ] - [ 0.0000651000000000, -0.0013851500000000, -0.0000632300000000 ] - [ -0.0001724000000000, -0.0012269100000000, 0.0000237400000000 ] - [ -0.0059018600000000, 0.0009185700000000, 0.0033812100000000 ] - [ 0.0023622900000000, 0.0001616300000000, 0.0008786500000000 ] - [ 0.0010075300000000, -0.0023473700000000, -0.0001192100000000 ] - [ -0.0006092100000000, -0.0020741700000000, -0.0000835100000000 ] - [ 0.0023717700000000, -0.0021108800000000, 0.0008336400000000 ] - [ -0.0001540400000000, 0.0001868200000000, 0.0003119700000000 ] - [ 0.0010327200000000, -0.0029222500000000, -0.0027167100000000 ] - [ 0.0007274600000000, -0.0011225100000000, -0.0011075300000000 ] - [ 0.0079580300000000, -0.0101378800000000, -0.0033172700000000 ] - [ -0.0002510600000000, 0.0003860200000000, -0.0010825000000000 ] - [ 0.0006885200000000, -0.0023763100000000, 0.0016280000000000 ] - [ 0.0009873500000000, -0.0009620100000000, 0.0002900400000000 ] - [ 0.0003392100000000, 0.0028527800000000, 0.0001811200000000 ] - [ -0.0022183200000000, 0.0034899600000000, -0.0006757100000000 ] - [ -0.0007146200000000, -0.0020778000000000, 0.0004104500000000 ] - [ -0.0002972600000000, -0.0027939000000000, 0.0003047600000000 ] - [ -0.0001919500000000, 0.0043136100000000, 0.0001764900000000 ] - [ 0.0275184900000000, 0.0487893700000000, 0.0385867100000000 ] - [ -0.0005785500000000, -0.0018389900000000, 0.0005908200000000 ] - [ -0.0004842200000000, -0.0025059000000000, 0.0006087100000000 ] - [ -0.0002442500000000, -0.0008395300000000, -0.0002727400000000 ] - [ 0.0007123200000000, -0.0017007000000000, 0.0009287500000000 ] - [ -0.0001066000000000, 0.0001774400000000, -0.0007374400000000 ] - [ 0.0009416900000000, -0.0092617900000000, 0.0003281000000000 ] - [ -0.0016894100000000, -0.0034662100000000, -0.0040032900000000 ] - [ 0.0002878700000000, 0.0003117400000000, 0.0003476400000000 ] - [ 0.0000521400000000, -0.0019744500000000, 0.0004285400000000 ] - [ -0.0002459500000000, -0.0014408100000000, 0.0004468300000000 ] - [ -0.0136714400000000, 0.0568006600000000, 0.0238541200000000 ] - [ -0.0009380200000000, 0.0022928000000000, 0.0007813200000000 ] - [ -0.0001287500000000, -0.0015545500000000, 0.0005822400000000 ] - [ -0.0001040400000000, -0.0008192100000000, 0.0005390100000000 ] - [ 0.0001743000000000, 0.0009086400000000, -0.0007351100000000 ] - [ 0.0005588500000000, 0.0019455300000000, -0.0020325900000000 ] - [ 0.0000997000000000, -0.0016852700000000, -0.0005061300000000 ] - [ 0.0001208500000000, -0.0021760100000000, -0.0006913600000000 ] - [ 0.0003789100000000, -0.0007314100000000, -0.0005409200000000 ] - [ -0.0003912500000000, -0.0008323200000000, -0.0018832000000000 ] - [ -0.0000574600000000, -0.0010157300000000, -0.0002513700000000 ] - [ 0.0000628200000000, -0.0010393800000000, -0.0002151600000000 ] - [ -0.0003209200000000, 0.0007818700000000, -0.0012078700000000 ] - [ 0.0002257300000000, -0.0003918700000000, 0.0002605400000000 ] - [ 0.0000349800000000, -0.0011005600000000, 0.0003566900000000 ] - [ -0.0000227700000000, -0.0010002400000000, 0.0003295000000000 ] - [ -0.0000838400000000, 0.0003472700000000, 0.0005587100000000 ] - [ 0.0000952300000000, 0.0004729400000000, 0.0004302000000000 ] - [ 0.0006777400000000, -0.0004668900000000, -0.0009471600000000 ] - [ -0.0008841000000000, 0.0007024000000000, -0.0001353300000000 ] - [ -0.0007458000000000, 0.0013077100000000, -0.0008476000000000 ] - [ -0.0010530500000000, -0.0010043600000000, -0.0007356900000000 ] - [ 0.0000216700000000, 0.0004124500000000, -0.0003157400000000 ] - [ -0.0000492600000000, 0.0003525300000000, -0.0003140500000000 ] - [ -0.0000429100000000, 0.0018655200000000, -0.0013309200000000 ] - [ 0.0001388700000000, 0.0009519800000000, -0.0009020400000000 ] - [ -0.0006334000000000, 0.0057995200000000, 0.0000181600000000 ] - [ 0.0010081700000000, 0.0008154700000000, -0.0007869800000000 ] - [ 0.0011045900000000, 0.0044162400000000, 0.0023002600000000 ] - [ 0.0001612800000000, 0.0001238600000000, 0.0009823900000000 ] - [ 0.0004773100000000, 0.0008426400000000, -0.0007043700000000 ] - [ 0.0002930200000000, -0.0000619100000000, 0.0004739600000000 ] - [ 0.0007878000000000, -0.0112184500000000, -0.0051256400000000 ] - [ 0.0000731300000000, -0.0016482600000000, 0.0008601600000000 ] - [ -0.0001724200000000, 0.0014139900000000, -0.0000806000000000 ] - [ -0.0000785700000000, 0.0008972400000000, 0.0000511400000000 ] - [ -0.0004228000000000, 0.0017564400000000, -0.0006050600000000 ] - [ -0.0001505800000000, 0.0007330900000000, -0.0004385300000000 ] - [ -0.0003186900000000, 0.0014539400000000, 0.0009262900000000 ] - [ 0.0000019800000000, 0.0000331800000000, 0.0000384300000000 ] - [ 0.0001730200000000, -0.0019465100000000, 0.0003776500000000 ] - [ -0.0001104300000000, -0.0010393100000000, -0.0007520500000000 ] - [ -0.0000394700000000, 0.0002566700000000, -0.0008118300000000 ] - [ 0.0000768000000000, 0.0000027300000000, -0.0008326800000000 ] - [ -0.0190992100000000, -0.1391063500000000, -0.1158597200000000 ] - [ 0.0003825200000000, -0.0016241600000000, -0.0013084800000000 ] - [ 0.0004244100000000, 0.0012077500000000, -0.0004189300000000 ] - [ 0.0004617300000000, 0.0008636000000000, -0.0004994100000000 ] - [ 0.0000212600000000, 0.0013884700000000, -0.0043284800000000 ] - [ 0.0000665400000000, -0.0002796200000000, 0.0004903400000000 ] - [ -0.0005798500000000, 0.0019597300000000, 0.0013476800000000 ] - [ 0.0001507100000000, 0.0010224800000000, 0.0010936800000000 ] - [ 0.0001708000000000, -0.0016017700000000, 0.0001916900000000 ] - [ 0.0006477400000000, -0.0024591900000000, 0.0005967500000000 ] - [ 0.0001728600000000, 0.0014507200000000, 0.0004163300000000 ] - [ 0.0001883000000000, 0.0018348000000000, 0.0004779400000000 ] - [ -0.0006098700000000, -0.0009830000000000, 0.0008650600000000 ] - [ 0.0010857900000000, -0.0007268800000000, 0.0023286500000000 ] - [ 0.0000925400000000, 0.0000845100000000, 0.0008700200000000 ] - [ -0.0001880500000000, 0.0001698100000000, 0.0008203200000000 ] - [ 0.0008721200000000, -0.0033636500000000, -0.0016847600000000 ] - [ -0.0049764700000000, -0.0070306000000000, -0.0064932700000000 ] - [ -0.0005611000000000, 0.0009254600000000, -0.0007789200000000 ] - [ -0.0004517600000000, 0.0012406700000000, -0.0008257900000000 ] - [ -0.0013849100000000, -0.0014385000000000, 0.0010287900000000 ] - [ 0.0180787500000000, 0.0148082100000000, 0.0081986600000000 ] - [ 0.0003595000000000, 0.0012221600000000, -0.0001036300000000 ] - [ -0.0000370900000000, 0.0018993600000000, -0.0003099900000000 ] - [ 0.0005687300000000, 0.0007085000000000, 0.0009224900000000 ] - [ -0.0021422700000000, 0.0023574500000000, -0.0005798800000000 ] - [ -0.0010208400000000, 0.0007075500000000, 0.0003184900000000 ] - [ -0.0000106400000000, 0.0023584300000000, -0.0017618800000000 ] - [ -0.0018036400000000, -0.0011611500000000, -0.0024890800000000 ] - [ -0.0001998400000000, -0.0012639400000000, -0.0009426600000000 ] - [ 0.0004470400000000, 0.0012685000000000, -0.0006387500000000 ] - [ -0.0001842400000000, 0.0014618900000000, -0.0006481700000000 ] - [ -0.0036930700000000, 0.0369560300000000, 0.0351751200000000 ] - [ -0.0004110300000000, -0.0010196500000000, -0.0002480400000000 ] - [ -0.0002721200000000, 0.0019014800000000, -0.0003327700000000 ] - [ -0.0001177500000000, 0.0009962300000000, -0.0002627900000000 ] - [ 0.0012748200000000, 0.0007559100000000, -0.0012670500000000 ] - [ -0.0004712300000000, 0.0005467400000000, -0.0008504700000000 ] - [ -0.0002022500000000, 0.0004555800000000, 0.0002316700000000 ] - [ 0.0000698400000000, 0.0036243200000000, 0.0021205400000000 ] - [ 0.0018962100000000, -0.0014449600000000, 0.0013839200000000 ] - [ -0.0094179100000000, -0.0018286300000000, 0.0084150400000000 ] - [ -0.0001193100000000, 0.0012848000000000, 0.0007080700000000 ] - [ -0.0000619100000000, 0.0014450700000000, 0.0007188700000000 ] - [ 0.0005236200000000, -0.0003628100000000, 0.0002091200000000 ] - [ -0.0024411600000000, 0.0002813200000000, 0.0027095900000000 ] - [ -0.0001414500000000, 0.0007371600000000, -0.0006075200000000 ] - [ 0.0002320500000000, 0.0010009500000000, -0.0009884100000000 ] - [ 0.0023217600000000, 0.0034166700000000, 0.0145650600000000 ] - [ 0.0000480600000000, -0.0013196700000000, 0.0003523600000000 ] - [ 0.0000172700000000, 0.0012886400000000, 0.0004889600000000 ] - [ 0.0000600200000000, 0.0009026100000000, 0.0004585700000000 ] - [ 0.0005590000000000, -0.0011588500000000, 0.0025089600000000 ] - [ 0.0001548400000000, -0.0009300900000000, -0.0004308400000000 ] - [ 0.0003374800000000, 0.0010474800000000, -0.0007454900000000 ] - [ 0.0003995500000000, 0.0007212600000000, -0.0007583900000000 ] - [ -0.0002162200000000, -0.0004603900000000, 0.0004786900000000 ] - [ -0.0010409800000000, -0.0002574400000000, 0.0006824700000000 ] - [ -0.0004806600000000, 0.0005822500000000, 0.0009505700000000 ] - [ -0.0001556700000000, 0.0010489000000000, 0.0015342200000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031364200000000, -0.0042851000000000, -0.0037893800000000 ] - [ 0.0022211700000000, -0.0025460600000000, -0.0028433200000000 ] - [ 0.0005731100000000, 0.0020102600000000, -0.0001222900000000 ] - [ -0.0005292200000000, 0.0014142200000000, 0.0002269400000000 ] - [ 0.0010424200000000, 0.0009289400000000, 0.0007145600000000 ] - [ -0.0005165300000000, 0.0009448100000000, 0.0002134900000000 ] - [ -0.0005784400000000, 0.0004093000000000, -0.0002798000000000 ] - [ 0.0005624200000000, 0.0001582300000000, 0.0001493000000000 ] - [ -0.0006141600000000, -0.0037508500000000, 0.0004334200000000 ] - [ -0.0002090500000000, -0.0018909800000000, -0.0000531000000000 ] - [ -0.0002726200000000, 0.0016307900000000, 0.0003750100000000 ] - [ -0.0000331400000000, 0.0014724700000000, 0.0002880700000000 ] - [ 0.0062447200000000, -0.0009584800000000, -0.0037017300000000 ] - [ -0.0021691500000000, -0.0003735900000000, -0.0011763500000000 ] - [ -0.0008060900000000, 0.0021107600000000, -0.0001914900000000 ] - [ 0.0008175500000000, 0.0018337700000000, -0.0002270700000000 ] - [ -0.0013005000000000, 0.0016786800000000, -0.0017753300000000 ] - [ 0.0011993600000000, -0.0006210100000000, -0.0012514300000000 ] - [ 0.0000298500000000, 0.0024716800000000, 0.0017829500000000 ] - [ 0.0003308700000000, 0.0006712100000000, 0.0001690600000000 ] - [ -0.0068708500000000, 0.0105891000000000, 0.0023812000000000 ] - [ 0.0013016500000000, 0.0000743800000000, 0.0001365400000000 ] - [ 0.0003777300000000, 0.0028304700000000, -0.0025800100000000 ] - [ 0.0000681600000000, 0.0014118900000000, -0.0012385100000000 ] - [ -0.0014105000000000, -0.0033133200000000, 0.0007590700000000 ] - [ 0.0011244500000000, -0.0039820100000000, 0.0016509600000000 ] - [ -0.0003475300000000, 0.0016303700000000, 0.0005306100000000 ] - [ -0.0007607200000000, 0.0023476000000000, 0.0006361500000000 ] - [ -0.0008814400000000, -0.0038816600000000, 0.0007714000000000 ] - [ -0.0288883800000000, -0.0481143600000000, -0.0382799400000000 ] - [ -0.0004848200000000, 0.0022905400000000, 0.0003527800000000 ] - [ -0.0005740800000000, 0.0029593600000000, 0.0003360500000000 ] - [ 0.0004316100000000, 0.0018855000000000, -0.0006963700000000 ] - [ -0.0005111700000000, 0.0027516400000000, -0.0018925700000000 ] - [ 0.0002969100000000, 0.0008688300000000, -0.0002288700000000 ] - [ -0.0007157100000000, 0.0103252400000000, -0.0012890700000000 ] - [ 0.0014936500000000, 0.0024103900000000, 0.0049663900000000 ] - [ -0.0004882300000000, -0.0013687700000000, 0.0006211500000000 ] - [ -0.0002422100000000, 0.0009327800000000, 0.0005408900000000 ] - [ 0.0000497900000000, 0.0003971600000000, 0.0005229500000000 ] - [ 0.0130756700000000, -0.0555806000000000, -0.0214467400000000 ] - [ 0.0007371300000000, -0.0012474300000000, 0.0001886200000000 ] - [ -0.0000635100000000, 0.0026051100000000, 0.0003873300000000 ] - [ -0.0000918800000000, 0.0018686600000000, 0.0004311000000000 ] - [ 0.0000130900000000, -0.0019528700000000, -0.0002367100000000 ] - [ -0.0003547700000000, -0.0029812100000000, 0.0010586200000000 ] - [ 0.0000935800000000, 0.0006369200000000, -0.0004651900000000 ] - [ 0.0000732900000000, 0.0011281700000000, -0.0002778000000000 ] - [ -0.0004070100000000, -0.0007084900000000, -0.0001225600000000 ] - [ 0.0003628100000000, -0.0006108000000000, 0.0012270500000000 ] - [ 0.0000308900000000, -0.0004233000000000, -0.0004129300000000 ] - [ -0.0000890600000000, -0.0003986400000000, -0.0004494600000000 ] - [ 0.0003486900000000, -0.0022082200000000, 0.0018621200000000 ] - [ -0.0002007200000000, -0.0010470000000000, 0.0004041400000000 ] - [ -0.0000082200000000, -0.0003383800000000, 0.0003074500000000 ] - [ 0.0000495600000000, -0.0004388900000000, 0.0003351400000000 ] - [ 0.0001111200000000, 0.0010920300000000, 0.0001074200000000 ] - [ -0.0000684500000000, 0.0009671300000000, 0.0002347300000000 ] - [ -0.0006530400000000, 0.0019108800000000, 0.0016257500000000 ] - [ 0.0009151000000000, 0.0007356500000000, 0.0008018500000000 ] - [ 0.0007176500000000, 0.0001336700000000, 0.0001808300000000 ] - [ 0.0010367900000000, 0.0024388200000000, 0.0001042400000000 ] - [ -0.0000490500000000, 0.0010265500000000, -0.0003498500000000 ] - [ 0.0000225400000000, 0.0010865100000000, -0.0003511500000000 ] - [ 0.0001658600000000, -0.0008450100000000, -0.0003170800000000 ] - [ -0.0000082300000000, 0.0000641000000000, -0.0007452000000000 ] - [ 0.0007546400000000, -0.0048482400000000, -0.0016824600000000 ] - [ -0.0008848400000000, 0.0002046700000000, -0.0008593100000000 ] - [ -0.0008012300000000, -0.0048839300000000, -0.0006439900000000 ] - [ 0.0001411000000000, -0.0006143500000000, 0.0006705800000000 ] - [ -0.0001786400000000, -0.0013312400000000, 0.0023695800000000 ] - [ 0.0000105900000000, -0.0004211700000000, 0.0011811600000000 ] - [ -0.0008098500000000, 0.0111414200000000, 0.0055345100000000 ] - [ -0.0001037300000000, 0.0015408200000000, -0.0002489000000000 ] - [ 0.0001373000000000, -0.0015268100000000, 0.0006941300000000 ] - [ 0.0000442800000000, -0.0010108000000000, 0.0005624000000000 ] - [ 0.0000500500000000, -0.0013969400000000, 0.0001764600000000 ] - [ -0.0002208300000000, -0.0003711800000000, 0.0000090200000000 ] - [ -0.0000562600000000, -0.0010734400000000, -0.0013593400000000 ] - [ -0.0003746300000000, 0.0003413300000000, -0.0004696000000000 ] - [ -0.0000516900000000, 0.0009164000000000, -0.0020127800000000 ] - [ 0.0002406000000000, 0.0000147400000000, -0.0008919700000000 ] - [ 0.0001667700000000, -0.0012764900000000, -0.0008328800000000 ] - [ 0.0000493900000000, -0.0010233600000000, -0.0008145300000000 ] - [ 0.0204720600000000, 0.1384196400000000, 0.1134531600000000 ] - [ 0.0004189000000000, 0.0015875400000000, -0.0000255500000000 ] - [ 0.0003646000000000, -0.0012513700000000, -0.0009137100000000 ] - [ 0.0003268400000000, -0.0009060400000000, -0.0008318000000000 ] - [ 0.0002795600000000, -0.0009175500000000, 0.0059531900000000 ] - [ 0.0002520800000000, 0.0007523200000000, 0.0011673100000000 ] - [ 0.0008817000000000, -0.0014759400000000, 0.0002998800000000 ] - [ 0.0001509700000000, -0.0005357800000000, 0.0005586800000000 ] - [ 0.0002055200000000, 0.0019738500000000, 0.0002395800000000 ] - [ -0.0002734700000000, 0.0028224400000000, -0.0001741700000000 ] - [ 0.0002009700000000, -0.0010828400000000, 0.0000139100000000 ] - [ 0.0001811000000000, -0.0014671000000000, -0.0000470500000000 ] - [ 0.0004841900000000, -0.0000330500000000, 0.0007807800000000 ] - [ -0.0012147300000000, -0.0002827800000000, -0.0006867300000000 ] - [ -0.0002170000000000, -0.0011062900000000, 0.0007763900000000 ] - [ 0.0000636400000000, -0.0011941900000000, 0.0008296400000000 ] - [ -0.0011806400000000, 0.0028730300000000, 0.0000301300000000 ] - [ 0.0047605300000000, 0.0065373900000000, 0.0049275600000000 ] - [ 0.0002627000000000, -0.0014154600000000, -0.0008758600000000 ] - [ 0.0001466900000000, -0.0017272500000000, -0.0008287600000000 ] - [ 0.0017703600000000, 0.0010765800000000, -0.0006067300000000 ] - [ -0.0180194900000000, -0.0153262200000000, -0.0078821100000000 ] - [ 0.0000147800000000, -0.0015926700000000, 0.0005332200000000 ] - [ 0.0004059000000000, -0.0022724000000000, 0.0007397200000000 ] - [ -0.0013486000000000, -0.0007480000000000, 0.0004126700000000 ] - [ 0.0013424000000000, -0.0023998500000000, 0.0019051600000000 ] - [ 0.0002357700000000, -0.0007498200000000, 0.0010125800000000 ] - [ -0.0007825200000000, -0.0023999800000000, 0.0030959600000000 ] - [ 0.0015135000000000, 0.0016560100000000, 0.0008542600000000 ] - [ -0.0000945100000000, 0.0017670600000000, -0.0007118400000000 ] - [ -0.0007458800000000, -0.0007823700000000, -0.0010141000000000 ] - [ -0.0001224100000000, -0.0009788300000000, -0.0010062900000000 ] - [ 0.0033444300000000, -0.0367992000000000, -0.0349144400000000 ] - [ 0.0000473700000000, 0.0006452100000000, -0.0001855200000000 ] - [ -0.0001025900000000, -0.0022744000000000, -0.0000949000000000 ] - [ -0.0002539100000000, -0.0013655300000000, -0.0001669900000000 ] - [ -0.0012224500000000, -0.0008644300000000, 0.0006407500000000 ] - [ 0.0004995000000000, -0.0006705800000000, 0.0002320500000000 ] - [ 0.0002411200000000, -0.0005660600000000, -0.0008488000000000 ] - [ -0.0000383000000000, -0.0037375900000000, -0.0027415000000000 ] - [ -0.0020139200000000, 0.0024627600000000, 0.0002658400000000 ] - [ 0.0093433200000000, 0.0027238800000000, -0.0068700200000000 ] - [ -0.0000067200000000, -0.0002671500000000, 0.0009381500000000 ] - [ -0.0000668900000000, -0.0004263100000000, 0.0009281100000000 ] - [ -0.0004839600000000, 0.0004704000000000, -0.0008195400000000 ] - [ 0.0024577300000000, -0.0001824500000000, -0.0033131600000000 ] - [ 0.0001790700000000, -0.0006257400000000, -0.0000043900000000 ] - [ -0.0001986000000000, -0.0008898200000000, 0.0003780300000000 ] - [ -0.0023724600000000, -0.0033055100000000, -0.0141126800000000 ] - [ -0.0000788200000000, 0.0014405400000000, 0.0002600400000000 ] - [ -0.0000522300000000, -0.0011790000000000, 0.0001227600000000 ] - [ -0.0000952000000000, -0.0007933200000000, 0.0001529400000000 ] - [ 0.0002293700000000, 0.0012115500000000, -0.0038646400000000 ] - [ 0.0006359300000000, 0.0009757500000000, -0.0008962200000000 ] - [ 0.0004532000000000, -0.0010088900000000, -0.0005835400000000 ] - [ 0.0003897500000000, -0.0006826500000000, -0.0005706000000000 ] - [ -0.0005708500000000, 0.0004980500000000, 0.0008538800000000 ] - [ 0.0002457400000000, 0.0002890000000000, 0.0006522000000000 ] - [ -0.0003054000000000, -0.0005406900000000, 0.0003806600000000 ] - [ -0.0006370600000000, -0.0010068600000000, -0.0002036300000000 ]- atom: 85 displacement: [ -0.0000485921744360, 0.0000000000000000, 0.0099998819393323 ] forces: - [ -0.0028480000000000, 0.0042417900000000, 0.0062368700000000 ] - [ 0.0006974800000000, 0.0022518700000000, 0.0035229100000000 ] - [ -0.0006875400000000, -0.0012000300000000, 0.0008854900000000 ] - [ 0.0002491700000000, -0.0008342900000000, 0.0004544300000000 ] - [ -0.0005876000000000, -0.0003988400000000, -0.0018855200000000 ] - [ 0.0006473800000000, -0.0003832100000000, -0.0012673100000000 ] - [ 0.0003559000000000, 0.0007124900000000, -0.0022322400000000 ] - [ 0.0001606000000000, 0.0005393400000000, -0.0018651400000000 ] - [ 0.0026032700000000, 0.0018942600000000, -0.0057680600000000 ] - [ -0.0020387200000000, 0.0009495900000000, -0.0052845700000000 ] - [ 0.0000399800000000, -0.0003613800000000, -0.0001570800000000 ] - [ -0.0001915800000000, -0.0002933500000000, -0.0000696700000000 ] - [ 0.0006099400000000, 0.0021463400000000, 0.0084673800000000 ] - [ -0.0007964400000000, 0.0022940000000000, 0.0057161000000000 ] - [ 0.0005362100000000, -0.0008112500000000, 0.0003943000000000 ] - [ -0.0002635500000000, -0.0008858100000000, 0.0002512800000000 ] - [ -0.0026147100000000, 0.0047697400000000, -0.0034305200000000 ] - [ 0.0000929600000000, 0.0011558200000000, -0.0013034200000000 ] - [ 0.0001346000000000, -0.0029944300000000, -0.0008651900000000 ] - [ 0.0004415900000000, -0.0009108600000000, -0.0007527700000000 ] - [ 0.0063780600000000, -0.0097338800000000, -0.0023695300000000 ] - [ 0.0003836400000000, -0.0006733200000000, -0.0002893500000000 ] - [ 0.0021375700000000, 0.0014210000000000, 0.0015050600000000 ] - [ 0.0003370400000000, 0.0006162300000000, -0.0001480200000000 ] - [ -0.0018275800000000, 0.0000685100000000, -0.0017110400000000 ] - [ 0.0096449400000000, 0.0093101200000000, -0.0146306800000000 ] - [ -0.0007270800000000, -0.0008571600000000, 0.0001637900000000 ] - [ -0.0004835300000000, -0.0013880700000000, -0.0001352200000000 ] - [ 0.0007360400000000, -0.0006808700000000, 0.0031536600000000 ] - [ 0.0679903000000000, 0.0364441500000000, 0.1161787100000000 ] - [ -0.0005086600000000, -0.0002192000000000, 0.0007006300000000 ] - [ -0.0004976600000000, -0.0005152600000000, 0.0008648700000000 ] - [ 0.0000230900000000, 0.0006012900000000, 0.0006235200000000 ] - [ 0.0001002000000000, 0.0002148500000000, 0.0027120600000000 ] - [ -0.0002970600000000, -0.0000610400000000, 0.0004135200000000 ] - [ 0.0012858100000000, -0.0049762200000000, 0.0014378200000000 ] - [ -0.0036202200000000, -0.0080713000000000, -0.0129172200000000 ] - [ 0.0002766900000000, -0.0007674700000000, -0.0009802100000000 ] - [ -0.0002464100000000, 0.0000424200000000, 0.0001446900000000 ] - [ -0.0001627600000000, -0.0003708900000000, 0.0002510500000000 ] - [ -0.0284539500000000, 0.0267837600000000, 0.0981291000000000 ] - [ -0.0019939300000000, 0.0015099400000000, 0.0022741700000000 ] - [ -0.0000173700000000, 0.0001226500000000, 0.0007772200000000 ] - [ -0.0001270500000000, 0.0003047400000000, 0.0006830400000000 ] - [ -0.0000922500000000, -0.0006901500000000, -0.0019354300000000 ] - [ 0.0008977600000000, -0.0020027800000000, -0.0050074400000000 ] - [ 0.0000715500000000, -0.0007286000000000, -0.0009697900000000 ] - [ 0.0001786900000000, -0.0009834900000000, -0.0014233500000000 ] - [ 0.0006629800000000, -0.0011801900000000, -0.0003214900000000 ] - [ -0.0005268000000000, -0.0015537800000000, -0.0006580800000000 ] - [ 0.0000120100000000, -0.0006336200000000, -0.0003340400000000 ] - [ -0.0000326700000000, -0.0005854400000000, -0.0003528400000000 ] - [ -0.0008387500000000, -0.0024520800000000, -0.0017807900000000 ] - [ 0.0004208000000000, -0.0007622800000000, 0.0000565600000000 ] - [ 0.0000245500000000, -0.0007265300000000, 0.0002816500000000 ] - [ 0.0000069400000000, -0.0007600800000000, 0.0003057800000000 ] - [ -0.0000321900000000, 0.0009472100000000, 0.0005170400000000 ] - [ 0.0000181300000000, 0.0007974700000000, 0.0003923000000000 ] - [ 0.0006190000000000, -0.0015667100000000, 0.0008269600000000 ] - [ -0.0004435200000000, 0.0004492700000000, 0.0002594000000000 ] - [ -0.0014085900000000, 0.0003083800000000, -0.0009928400000000 ] - [ -0.0019491300000000, 0.0003439000000000, -0.0032000600000000 ] - [ -0.0000153100000000, 0.0006820600000000, -0.0003285400000000 ] - [ -0.0000174900000000, 0.0006547100000000, -0.0003087700000000 ] - [ 0.0002781100000000, 0.0005261600000000, -0.0019925300000000 ] - [ 0.0000820600000000, 0.0003265300000000, -0.0012239800000000 ] - [ -0.0007116800000000, 0.0026811500000000, -0.0025189900000000 ] - [ 0.0006141700000000, 0.0008136400000000, -0.0012100600000000 ] - [ 0.0011644100000000, 0.0039526700000000, 0.0021072200000000 ] - [ 0.0000438700000000, 0.0001471000000000, 0.0008251800000000 ] - [ -0.0005534900000000, -0.0026369100000000, 0.0010878900000000 ] - [ 0.0001673000000000, -0.0006265300000000, 0.0007348100000000 ] - [ -0.0069300600000000, -0.0087441600000000, 0.0623797700000000 ] - [ 0.0000076000000000, -0.0005490700000000, 0.0005588900000000 ] - [ -0.0001099800000000, 0.0005422600000000, 0.0002020400000000 ] - [ -0.0000401500000000, 0.0002439500000000, 0.0002379000000000 ] - [ 0.0001137100000000, -0.0015760600000000, 0.0007041800000000 ] - [ -0.0002139200000000, -0.0003041000000000, 0.0001451600000000 ] - [ -0.0004868100000000, 0.0039869300000000, 0.0019200200000000 ] - [ -0.0001721600000000, 0.0006550900000000, 0.0001618400000000 ] - [ 0.0000757700000000, 0.0007247200000000, 0.0023173400000000 ] - [ 0.0000565700000000, -0.0007480600000000, -0.0000366200000000 ] - [ -0.0000525700000000, -0.0004023800000000, -0.0004478700000000 ] - [ 0.0000852500000000, -0.0004548800000000, -0.0006559900000000 ] - [ -0.0421664500000000, -0.1153380900000000, -0.3402926100000000 ] - [ 0.0005194200000000, -0.0006621200000000, -0.0031224100000000 ] - [ 0.0003463700000000, 0.0002285600000000, -0.0009210900000000 ] - [ 0.0003917500000000, 0.0001474300000000, -0.0008317000000000 ] - [ -0.0000294500000000, -0.0063074000000000, 0.0055569000000000 ] - [ 0.0011406400000000, -0.0011873500000000, 0.0010496800000000 ] - [ -0.0002819700000000, 0.0012743500000000, 0.0008160500000000 ] - [ 0.0001952100000000, 0.0005918600000000, 0.0009182400000000 ] - [ 0.0005070000000000, 0.0002725500000000, 0.0015646300000000 ] - [ -0.0030226600000000, 0.0012274800000000, 0.0052788500000000 ] - [ 0.0001731600000000, 0.0005144900000000, 0.0004388800000000 ] - [ 0.0001709400000000, 0.0007179600000000, 0.0005622900000000 ] - [ -0.0008104800000000, -0.0001401300000000, 0.0015867500000000 ] - [ 0.0020743700000000, 0.0010571600000000, 0.0037386900000000 ] - [ -0.0000164600000000, -0.0004777100000000, 0.0009948100000000 ] - [ 0.0000546700000000, -0.0005871300000000, 0.0010199800000000 ] - [ -0.0035159100000000, -0.0009729300000000, -0.0011486500000000 ] - [ 0.0174202700000000, -0.0036131100000000, 0.0074827600000000 ] - [ -0.0002903300000000, 0.0000811200000000, -0.0008833700000000 ] - [ -0.0002063000000000, 0.0002645700000000, -0.0009210900000000 ] - [ 0.0000116400000000, 0.0004318500000000, -0.0013274100000000 ] - [ 0.0065145100000000, 0.0081453800000000, -0.0043498700000000 ] - [ 0.0003304600000000, -0.0000340500000000, -0.0001393500000000 ] - [ 0.0002012100000000, 0.0002931400000000, -0.0005233900000000 ] - [ -0.0002706100000000, 0.0003239600000000, -0.0002064900000000 ] - [ -0.0022014400000000, 0.0024154000000000, -0.0018058500000000 ] - [ 0.0000747800000000, -0.0002671500000000, -0.0002044600000000 ] - [ -0.0005407000000000, 0.0012224000000000, -0.0018045000000000 ] - [ 0.0011741700000000, -0.0004460600000000, 0.0009032500000000 ] - [ -0.0030964600000000, -0.0031067900000000, 0.0012310700000000 ] - [ 0.0002122900000000, 0.0007142300000000, -0.0006483400000000 ] - [ -0.0003079300000000, 0.0009253300000000, -0.0005835100000000 ] - [ -0.0027131400000000, 0.0367270100000000, 0.0155775700000000 ] - [ -0.0001506500000000, 0.0003418800000000, -0.0007993500000000 ] - [ -0.0003842500000000, -0.0001336400000000, -0.0006617800000000 ] - [ -0.0000537000000000, -0.0001345900000000, -0.0003708800000000 ] - [ 0.0000032800000000, -0.0007022300000000, -0.0008043700000000 ] - [ 0.0003661200000000, -0.0018100700000000, -0.0015719300000000 ] - [ -0.0001311400000000, 0.0002197500000000, -0.0004447900000000 ] - [ 0.0000305400000000, 0.0017345000000000, 0.0001858100000000 ] - [ 0.0041668100000000, 0.0007980900000000, 0.0002509300000000 ] - [ -0.0196185600000000, 0.0078084300000000, 0.0102314700000000 ] - [ -0.0000445800000000, 0.0006994200000000, 0.0007070200000000 ] - [ -0.0001252600000000, 0.0007563400000000, 0.0006728100000000 ] - [ 0.0006137100000000, 0.0001770100000000, 0.0003991400000000 ] - [ -0.0016357600000000, 0.0014254300000000, 0.0029719100000000 ] - [ 0.0000679300000000, -0.0001159500000000, -0.0001230500000000 ] - [ -0.0002217000000000, -0.0002622200000000, -0.0001562100000000 ] - [ 0.0057738200000000, 0.0166973500000000, 0.0306570300000000 ] - [ 0.0005398900000000, 0.0007004200000000, 0.0006647800000000 ] - [ 0.0000234600000000, 0.0001876100000000, 0.0002230700000000 ] - [ 0.0000302900000000, 0.0001796300000000, 0.0003186500000000 ] - [ 0.0003255400000000, -0.0031814900000000, 0.0111162100000000 ] - [ 0.0008219100000000, -0.0002154800000000, 0.0009701100000000 ] - [ 0.0003752000000000, 0.0001003600000000, -0.0000571300000000 ] - [ 0.0004086800000000, 0.0001131900000000, -0.0003719500000000 ] - [ -0.0004795300000000, -0.0001682700000000, 0.0019438800000000 ] - [ -0.0002311900000000, 0.0000394400000000, 0.0041982200000000 ] - [ -0.0003689800000000, 0.0003034500000000, 0.0010830000000000 ] - [ 0.0000106800000000, 0.0008833900000000, 0.0015597800000000 ]- atom: 85 displacement: [ 0.0000485921744360, 0.0000000000000000, -0.0099998819393323 ] forces: - [ 0.0027047600000000, -0.0045416600000000, -0.0058308900000000 ] - [ -0.0009127200000000, -0.0024913700000000, -0.0031851400000000 ] - [ 0.0004793400000000, 0.0009560500000000, -0.0005721800000000 ] - [ -0.0004534500000000, 0.0005893500000000, -0.0001434100000000 ] - [ 0.0007889800000000, 0.0006373600000000, 0.0015745900000000 ] - [ -0.0004383200000000, 0.0006238000000000, 0.0009556700000000 ] - [ -0.0001591800000000, -0.0004604600000000, 0.0019293500000000 ] - [ 0.0000516600000000, -0.0002885000000000, 0.0015542900000000 ] - [ -0.0028457200000000, -0.0016697900000000, 0.0060809300000000 ] - [ 0.0018423200000000, -0.0007068000000000, 0.0055865000000000 ] - [ -0.0002476900000000, 0.0006047300000000, 0.0004650600000000 ] - [ -0.0000133300000000, 0.0005363800000000, 0.0003779500000000 ] - [ -0.0003822400000000, -0.0023550500000000, -0.0087920300000000 ] - [ 0.0010008000000000, -0.0025343500000000, -0.0060282200000000 ] - [ -0.0003269600000000, 0.0005610400000000, -0.0007071200000000 ] - [ 0.0004665200000000, 0.0006362400000000, -0.0005617800000000 ] - [ 0.0036830300000000, -0.0052276300000000, 0.0024803700000000 ] - [ 0.0009698600000000, -0.0016064800000000, 0.0003493100000000 ] - [ 0.0009439800000000, 0.0025603800000000, -0.0001087300000000 ] - [ 0.0006180100000000, 0.0004640100000000, -0.0001971000000000 ] - [ -0.0053290400000000, 0.0102168000000000, 0.0014260200000000 ] - [ 0.0006783100000000, 0.0011213600000000, -0.0006465600000000 ] - [ -0.0010704600000000, -0.0009740500000000, -0.0024310300000000 ] - [ 0.0007234000000000, -0.0001687000000000, -0.0007894700000000 ] - [ 0.0007625500000000, -0.0005142600000000, 0.0026592000000000 ] - [ -0.0106447900000000, -0.0097432400000000, 0.0155789600000000 ] - [ -0.0003354200000000, 0.0004076900000000, 0.0007789600000000 ] - [ -0.0005759100000000, 0.0009383000000000, 0.0010791600000000 ] - [ -0.0017798100000000, 0.0011318200000000, -0.0022188700000000 ] - [ -0.0740977100000000, -0.0385354000000000, -0.1200755600000000 ] - [ -0.0005516900000000, 0.0006674700000000, 0.0002410000000000 ] - [ -0.0005624000000000, 0.0009608400000000, 0.0000771200000000 ] - [ 0.0001764600000000, 0.0004513700000000, -0.0015925700000000 ] - [ 0.0000909400000000, 0.0008304600000000, -0.0036803800000000 ] - [ 0.0004899000000000, 0.0010987700000000, -0.0013835500000000 ] - [ -0.0010605100000000, 0.0059505100000000, -0.0024005300000000 ] - [ 0.0034653100000000, 0.0070601200000000, 0.0139054500000000 ] - [ -0.0004786900000000, -0.0002830200000000, 0.0019431900000000 ] - [ 0.0000544100000000, -0.0010948400000000, 0.0008229000000000 ] - [ -0.0000324700000000, -0.0006775300000000, 0.0007175600000000 ] - [ 0.0250168000000000, -0.0219760000000000, -0.0900726000000000 ] - [ 0.0018079100000000, -0.0004613800000000, -0.0013005600000000 ] - [ -0.0001769900000000, 0.0009210700000000, 0.0001945600000000 ] - [ -0.0000689000000000, 0.0007420900000000, 0.0002873400000000 ] - [ 0.0002847500000000, -0.0003595800000000, 0.0009656100000000 ] - [ -0.0006949800000000, 0.0009346700000000, 0.0040402700000000 ] - [ 0.0001218400000000, -0.0003198700000000, -0.0000010200000000 ] - [ 0.0000171000000000, -0.0000661800000000, 0.0004565900000000 ] - [ -0.0006956200000000, -0.0002568800000000, -0.0003475800000000 ] - [ 0.0005013600000000, 0.0001165400000000, -0.0000232000000000 ] - [ -0.0000398700000000, -0.0008050300000000, -0.0003321000000000 ] - [ 0.0000060600000000, -0.0008541400000000, -0.0003123500000000 ] - [ 0.0008640000000000, 0.0009925100000000, 0.0024407900000000 ] - [ -0.0003928100000000, -0.0006774100000000, 0.0006090500000000 ] - [ 0.0000024200000000, -0.0007130500000000, 0.0003832000000000 ] - [ 0.0000198100000000, -0.0006790800000000, 0.0003589800000000 ] - [ 0.0000589100000000, 0.0004917100000000, 0.0001455200000000 ] - [ 0.0000093800000000, 0.0006415700000000, 0.0002718400000000 ] - [ -0.0005936000000000, 0.0030157300000000, -0.0001866300000000 ] - [ 0.0004649300000000, 0.0009883700000000, 0.0004006900000000 ] - [ 0.0013726000000000, 0.0011285800000000, 0.0003298000000000 ] - [ 0.0019193900000000, 0.0011170600000000, 0.0025482500000000 ] - [ -0.0000121200000000, 0.0007569500000000, -0.0003359700000000 ] - [ -0.0000096500000000, 0.0007837000000000, -0.0003556900000000 ] - [ -0.0001452000000000, 0.0004906600000000, 0.0003466300000000 ] - [ 0.0000428500000000, 0.0006925900000000, -0.0004230300000000 ] - [ 0.0008293400000000, -0.0016303600000000, 0.0008885500000000 ] - [ -0.0004801600000000, 0.0002097900000000, -0.0004368500000000 ] - [ -0.0008578600000000, -0.0044296400000000, -0.0004487000000000 ] - [ 0.0002541800000000, -0.0006358800000000, 0.0008236700000000 ] - [ 0.0008578500000000, 0.0021474500000000, 0.0005530400000000 ] - [ 0.0001317200000000, 0.0001404000000000, 0.0009102900000000 ] - [ 0.0068260500000000, 0.0085699800000000, -0.0605189000000000 ] - [ -0.0000428200000000, 0.0004407300000000, 0.0000462200000000 ] - [ 0.0000765700000000, -0.0006501900000000, 0.0004069800000000 ] - [ 0.0000033000000000, -0.0003525900000000, 0.0003717000000000 ] - [ -0.0004879800000000, 0.0019561200000000, -0.0011343800000000 ] - [ -0.0001631400000000, 0.0006759500000000, -0.0005717200000000 ] - [ 0.0001112100000000, -0.0036628100000000, -0.0023486800000000 ] - [ -0.0002028000000000, -0.0002847800000000, -0.0005858900000000 ] - [ 0.0000500800000000, -0.0017255400000000, -0.0039601200000000 ] - [ 0.0000674900000000, -0.0002699300000000, -0.0016115500000000 ] - [ 0.0001809800000000, -0.0006169200000000, -0.0011983000000000 ] - [ 0.0000392700000000, -0.0005652100000000, -0.0009906900000000 ] - [ 0.0515312000000000, 0.1138970600000000, 0.3359349700000000 ] - [ 0.0002688200000000, 0.0006186200000000, 0.0017902000000000 ] - [ 0.0004425800000000, -0.0002677900000000, -0.0004086700000000 ] - [ 0.0003967800000000, -0.0001869900000000, -0.0004979600000000 ] - [ 0.0003447500000000, 0.0068543800000000, -0.0039263800000000 ] - [ -0.0008429900000000, 0.0016761300000000, 0.0006053700000000 ] - [ 0.0005825100000000, -0.0007892500000000, 0.0008433000000000 ] - [ 0.0001065200000000, -0.0001023000000000, 0.0007384900000000 ] - [ -0.0001236500000000, 0.0001012600000000, -0.0011395400000000 ] - [ 0.0033644700000000, -0.0008341500000000, -0.0048409000000000 ] - [ 0.0002006900000000, -0.0001426100000000, -0.0000097300000000 ] - [ 0.0001998700000000, -0.0003464100000000, -0.0001326700000000 ] - [ 0.0006927100000000, -0.0008805400000000, 0.0000603600000000 ] - [ -0.0022296400000000, -0.0020848300000000, -0.0020887300000000 ] - [ -0.0001085800000000, -0.0005415900000000, 0.0006528700000000 ] - [ -0.0001821900000000, -0.0004316600000000, 0.0006275700000000 ] - [ 0.0032190300000000, 0.0004881200000000, -0.0004804200000000 ] - [ -0.0178986800000000, 0.0031429700000000, -0.0091365800000000 ] - [ -0.0000085100000000, -0.0005705000000000, -0.0007689900000000 ] - [ -0.0000958200000000, -0.0007504700000000, -0.0007296400000000 ] - [ 0.0003570400000000, -0.0007969000000000, 0.0017589000000000 ] - [ -0.0060469000000000, -0.0083773600000000, 0.0048749700000000 ] - [ 0.0000449200000000, -0.0003398400000000, 0.0005675700000000 ] - [ 0.0001717000000000, -0.0006630100000000, 0.0009524200000000 ] - [ -0.0005201700000000, -0.0003666400000000, 0.0015286400000000 ] - [ 0.0014040800000000, -0.0024487900000000, 0.0031274300000000 ] - [ -0.0008621900000000, 0.0002304400000000, 0.0015266100000000 ] - [ -0.0002514600000000, -0.0012481200000000, 0.0031125300000000 ] - [ -0.0014736900000000, 0.0009318800000000, -0.0025671700000000 ] - [ 0.0027671800000000, 0.0035779500000000, -0.0028931300000000 ] - [ -0.0005108800000000, -0.0002253500000000, -0.0010062100000000 ] - [ 0.0000037100000000, -0.0004370000000000, -0.0010718300000000 ] - [ 0.0023002500000000, -0.0367823200000000, -0.0159967400000000 ] - [ -0.0002274600000000, -0.0007154600000000, 0.0003674000000000 ] - [ 0.0000079400000000, -0.0002360200000000, 0.0002296500000000 ] - [ -0.0003205000000000, -0.0002363900000000, -0.0000621500000000 ] - [ 0.0000247300000000, 0.0005871800000000, 0.0002003100000000 ] - [ -0.0003323000000000, 0.0017024700000000, 0.0009632100000000 ] - [ 0.0001692200000000, -0.0003250300000000, -0.0001636400000000 ] - [ -0.0000027600000000, -0.0018155200000000, -0.0007707000000000 ] - [ -0.0042870800000000, 0.0002221600000000, 0.0013820600000000 ] - [ 0.0193880600000000, -0.0067704500000000, -0.0087048600000000 ] - [ -0.0000818700000000, 0.0003196400000000, 0.0009373700000000 ] - [ -0.0000038000000000, 0.0002645300000000, 0.0009711600000000 ] - [ -0.0005788200000000, -0.0000665800000000, -0.0010152400000000 ] - [ 0.0016717900000000, -0.0013158100000000, -0.0035894400000000 ] - [ -0.0000322000000000, 0.0002253000000000, -0.0004913000000000 ] - [ 0.0002602800000000, 0.0003698400000000, -0.0004609500000000 ] - [ -0.0058785900000000, -0.0168905300000000, -0.0305507300000000 ] - [ -0.0005782100000000, -0.0005909600000000, -0.0000448800000000 ] - [ -0.0000590500000000, -0.0000763500000000, 0.0003910300000000 ] - [ -0.0000673400000000, -0.0000702500000000, 0.0002940900000000 ] - [ 0.0004585900000000, 0.0031934700000000, -0.0124297600000000 ] - [ -0.0000367300000000, 0.0002543400000000, -0.0022967400000000 ] - [ 0.0004156600000000, -0.0000592600000000, -0.0012719000000000 ] - [ 0.0003791300000000, -0.0000737800000000, -0.0009551900000000 ] - [ -0.0003093000000000, 0.0002112100000000, -0.0006113000000000 ] - [ -0.0005636000000000, 0.0000049100000000, -0.0028664500000000 ] - [ -0.0004194200000000, -0.0002632800000000, 0.0002475800000000 ] - [ -0.0008055500000000, -0.0008472400000000, -0.0002270500000000 ]