# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cc629621-7c39-419d-a074-51b790bd4c08/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 K2SrP2O7 / P2_1/c (14) / materials id 557747](https://mdr.nims.go.jp/datasets/7ced54fb-910b-477e-9d9a-e73cee41fb70) ## 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:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.154372390000001, 0.000000000000000, 0.037230340000000 ] # a - [ 0.000000000000000, 5.736465060000000, 0.000000000000000 ] # b - [ -3.964053290000000, 0.000000000000000, 14.191083730000001 ] # c points: - symbol: K # 1 coordinates: [ 0.465958780000000, 0.261037520000000, 0.163796190000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.967851370000000, 0.733066910000000, 0.383870780000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.032148630000000, 0.266933090000000, 0.616129220000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.534041220000000, 0.761037520000000, 0.336203810000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.534041220000000, 0.738962480000000, 0.836203810000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.032148630000000, 0.233066910000000, 0.116129220000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.967851370000000, 0.766933090000000, 0.883870780000000 ] mass: 39.098300 - symbol: K # 8 coordinates: [ 0.465958780000000, 0.238962480000000, 0.663796190000000 ] mass: 39.098300 - symbol: Sr # 9 coordinates: [ 0.736306790000000, 0.726226140000000, 0.132031160000000 ] mass: 87.620000 - symbol: Sr # 10 coordinates: [ 0.736306790000000, 0.773773860000000, 0.632031160000000 ] mass: 87.620000 - symbol: Sr # 11 coordinates: [ 0.263693210000000, 0.226226140000000, 0.367968840000000 ] mass: 87.620000 - symbol: Sr # 12 coordinates: [ 0.263693210000000, 0.273773860000000, 0.867968840000000 ] mass: 87.620000 - symbol: P # 13 coordinates: [ 0.693091840000000, 0.199631270000000, 0.965704620000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.818886230000000, 0.268863490000000, 0.804300460000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.693091840000000, 0.300368730000000, 0.465704620000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.181113770000000, 0.768863490000000, 0.695699540000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.818886230000000, 0.231136510000000, 0.304300460000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.306908160000000, 0.699631270000000, 0.534295380000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.181113770000000, 0.731136510000000, 0.195699540000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.306908160000000, 0.800368730000000, 0.034295380000000 ] mass: 30.973762 - symbol: O # 21 coordinates: [ 0.733010020000000, 0.482559970000000, 0.755761780000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.266989980000000, 0.982559970000000, 0.744238220000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.264032310000000, 0.442696820000000, 0.513458190000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.986993360000000, 0.270851310000000, 0.808375830000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.013006640000000, 0.729148690000000, 0.191624170000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.735967690000000, 0.557303180000000, 0.486541810000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.739909930000000, 0.037851040000000, 0.770542260000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.280784870000000, 0.844040340000000, 0.444515910000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.013006640000000, 0.770851310000000, 0.691624170000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.266989980000000, 0.517440030000000, 0.244238220000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.260090070000000, 0.962148960000000, 0.229457740000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.719215130000000, 0.155959660000000, 0.555484090000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.460560270000000, 0.763841310000000, 0.104739750000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.260090070000000, 0.537851040000000, 0.729457740000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.264032310000000, 0.057303180000000, 0.013458190000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.719215130000000, 0.344040340000000, 0.055484090000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.280784870000000, 0.655959660000000, 0.944515910000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.539439730000000, 0.263841310000000, 0.395260250000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.739909930000000, 0.462148960000000, 0.270542260000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.735967690000000, 0.942696820000000, 0.986541810000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.986993360000000, 0.229148690000000, 0.308375830000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.539439730000000, 0.236158690000000, 0.895260250000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.733010020000000, 0.017440030000000, 0.255761780000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.822603440000000, 0.300490410000000, 0.916473230000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.460560270000000, 0.736158690000000, 0.604739750000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.177396560000000, 0.699509590000000, 0.083526770000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.177396560000000, 0.800490410000000, 0.583526770000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.822603440000000, 0.199509590000000, 0.416473230000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.109113460747886, 0.000000000000000, 0.030479107958934 ] # a* - [ 0.000000000000000, 0.174323383746017, 0.000000000000000 ] # b* - [ -0.000286259409042, 0.000000000000000, 0.070386819742046 ] # c*unit_cell: lattice: - [ 9.154372390000001, 0.000000000000000, 0.037230340000000 ] # a - [ 0.000000000000000, 5.736465060000000, 0.000000000000000 ] # b - [ -3.964053290000000, 0.000000000000000, 14.191083730000001 ] # c points: - symbol: K # 1 coordinates: [ 0.465958780000000, 0.261037520000000, 0.163796190000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.967851370000000, 0.733066910000000, 0.383870780000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.032148630000000, 0.266933090000000, 0.616129220000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.534041220000000, 0.761037520000000, 0.336203810000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.534041220000000, 0.738962480000000, 0.836203810000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.032148630000000, 0.233066910000000, 0.116129220000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.967851370000000, 0.766933090000000, 0.883870780000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.465958780000000, 0.238962480000000, 0.663796190000000 ] mass: 39.098300 reduced_to: 8 - symbol: Sr # 9 coordinates: [ 0.736306790000000, 0.726226140000000, 0.132031160000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.736306790000000, 0.773773860000000, 0.632031160000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.263693210000000, 0.226226140000000, 0.367968840000000 ] mass: 87.620000 reduced_to: 11 - symbol: Sr # 12 coordinates: [ 0.263693210000000, 0.273773860000000, 0.867968840000000 ] mass: 87.620000 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.693091840000000, 0.199631270000000, 0.965704620000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.818886230000000, 0.268863490000000, 0.804300460000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.693091840000000, 0.300368730000000, 0.465704620000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.181113770000000, 0.768863490000000, 0.695699540000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.818886230000000, 0.231136510000000, 0.304300460000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.306908160000000, 0.699631270000000, 0.534295380000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.181113770000000, 0.731136510000000, 0.195699540000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.306908160000000, 0.800368730000000, 0.034295380000000 ] mass: 30.973762 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.733010020000000, 0.482559970000000, 0.755761780000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.266989980000000, 0.982559970000000, 0.744238220000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.264032310000000, 0.442696820000000, 0.513458190000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.986993360000000, 0.270851310000000, 0.808375830000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.013006640000000, 0.729148690000000, 0.191624170000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.735967690000000, 0.557303180000000, 0.486541810000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.739909930000000, 0.037851040000000, 0.770542260000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.280784870000000, 0.844040340000000, 0.444515910000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.013006640000000, 0.770851310000000, 0.691624170000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.266989980000000, 0.517440030000000, 0.244238220000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.260090070000000, 0.962148960000000, 0.229457740000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.719215130000000, 0.155959660000000, 0.555484090000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.460560270000000, 0.763841310000000, 0.104739750000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.260090070000000, 0.537851040000000, 0.729457740000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.264032310000000, 0.057303180000000, 0.013458190000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.719215130000000, 0.344040340000000, 0.055484090000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.280784870000000, 0.655959660000000, 0.944515910000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.539439730000000, 0.263841310000000, 0.395260250000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.739909930000000, 0.462148960000000, 0.270542260000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.735967690000000, 0.942696820000000, 0.986541810000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.986993360000000, 0.229148690000000, 0.308375830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.539439730000000, 0.236158690000000, 0.895260250000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.733010020000000, 0.017440030000000, 0.255761780000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.822603440000000, 0.300490410000000, 0.916473230000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.460560270000000, 0.736158690000000, 0.604739750000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.177396560000000, 0.699509590000000, 0.083526770000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.177396560000000, 0.800490410000000, 0.583526770000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.822603440000000, 0.199509590000000, 0.416473230000000 ] mass: 15.999400 reduced_to: 48supercell: lattice: - [ 9.154372390000001, 0.000000000000000, 0.037230340000000 ] # a - [ 0.000000000000000, 11.472930119999999, 0.000000000000000 ] # b - [ -3.964053290000000, 0.000000000000000, 14.191083730000001 ] # c points: - symbol: K # 1 coordinates: [ 0.465958780000000, 0.130518760000000, 0.163796190000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.465958780000000, 0.630518760000000, 0.163796190000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.967851370000000, 0.366533455000000, 0.383870780000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.967851370000000, 0.866533455000000, 0.383870780000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 5 coordinates: [ 0.032148630000000, 0.133466545000000, 0.616129220000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.032148630000000, 0.633466545000000, 0.616129220000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.534041220000000, 0.380518760000000, 0.336203810000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.534041220000000, 0.880518760000000, 0.336203810000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 9 coordinates: [ 0.534041220000000, 0.369481240000000, 0.836203810000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.534041220000000, 0.869481240000000, 0.836203810000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 11 coordinates: [ 0.032148630000000, 0.116533455000000, 0.116129220000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.032148630000000, 0.616533455000000, 0.116129220000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 13 coordinates: [ 0.967851370000000, 0.383466545000000, 0.883870780000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.967851370000000, 0.883466545000000, 0.883870780000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 15 coordinates: [ 0.465958780000000, 0.119481240000000, 0.663796190000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.465958780000000, 0.619481240000000, 0.663796190000000 ] mass: 39.098300 reduced_to: 15 - symbol: Sr # 17 coordinates: [ 0.736306790000000, 0.363113070000000, 0.132031160000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 18 coordinates: [ 0.736306790000000, 0.863113070000000, 0.132031160000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 19 coordinates: [ 0.736306790000000, 0.386886930000000, 0.632031160000000 ] mass: 87.620000 reduced_to: 19 - symbol: Sr # 20 coordinates: [ 0.736306790000000, 0.886886930000000, 0.632031160000000 ] mass: 87.620000 reduced_to: 19 - symbol: Sr # 21 coordinates: [ 0.263693210000000, 0.113113070000000, 0.367968840000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 22 coordinates: [ 0.263693210000000, 0.613113070000000, 0.367968840000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 23 coordinates: [ 0.263693210000000, 0.136886930000000, 0.867968840000000 ] mass: 87.620000 reduced_to: 23 - symbol: Sr # 24 coordinates: [ 0.263693210000000, 0.636886930000000, 0.867968840000000 ] mass: 87.620000 reduced_to: 23 - symbol: P # 25 coordinates: [ 0.693091840000000, 0.099815635000000, 0.965704620000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.693091840000000, 0.599815635000000, 0.965704620000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 27 coordinates: [ 0.818886230000000, 0.134431745000000, 0.804300460000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.818886230000000, 0.634431745000000, 0.804300460000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 29 coordinates: [ 0.693091840000000, 0.150184365000000, 0.465704620000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.693091840000000, 0.650184365000000, 0.465704620000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 31 coordinates: [ 0.181113770000000, 0.384431745000000, 0.695699540000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.181113770000000, 0.884431745000000, 0.695699540000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 33 coordinates: [ 0.818886230000000, 0.115568255000000, 0.304300460000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.818886230000000, 0.615568255000000, 0.304300460000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 35 coordinates: [ 0.306908160000000, 0.349815635000000, 0.534295380000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.306908160000000, 0.849815635000000, 0.534295380000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 37 coordinates: [ 0.181113770000000, 0.365568255000000, 0.195699540000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.181113770000000, 0.865568255000000, 0.195699540000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 39 coordinates: [ 0.306908160000000, 0.400184365000000, 0.034295380000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.306908160000000, 0.900184365000000, 0.034295380000000 ] mass: 30.973762 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.733010020000000, 0.241279985000000, 0.755761780000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.733010020000000, 0.741279985000000, 0.755761780000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.266989980000000, 0.491279985000000, 0.744238220000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.266989980000000, 0.991279985000000, 0.744238220000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.264032310000000, 0.221348410000000, 0.513458190000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.264032310000000, 0.721348410000000, 0.513458190000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.986993360000000, 0.135425655000000, 0.808375830000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.986993360000000, 0.635425655000000, 0.808375830000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.013006640000000, 0.364574345000000, 0.191624170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.013006640000000, 0.864574345000000, 0.191624170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.735967690000000, 0.278651590000000, 0.486541810000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.735967690000000, 0.778651590000000, 0.486541810000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.739909930000000, 0.018925520000000, 0.770542260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.739909930000000, 0.518925520000000, 0.770542260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.280784870000000, 0.422020170000000, 0.444515910000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.280784870000000, 0.922020170000000, 0.444515910000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.013006640000000, 0.385425655000000, 0.691624170000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.013006640000000, 0.885425655000000, 0.691624170000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.266989980000000, 0.258720015000000, 0.244238220000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.266989980000000, 0.758720015000000, 0.244238220000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.260090070000000, 0.481074480000000, 0.229457740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.260090070000000, 0.981074480000000, 0.229457740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.719215130000000, 0.077979830000000, 0.555484090000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.719215130000000, 0.577979830000000, 0.555484090000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.460560270000000, 0.381920655000000, 0.104739750000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.460560270000000, 0.881920655000000, 0.104739750000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.260090070000000, 0.268925520000000, 0.729457740000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.260090070000000, 0.768925520000000, 0.729457740000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.264032310000000, 0.028651590000000, 0.013458190000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.264032310000000, 0.528651590000000, 0.013458190000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.719215130000000, 0.172020170000000, 0.055484090000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.719215130000000, 0.672020170000000, 0.055484090000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.280784870000000, 0.327979830000000, 0.944515910000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.280784870000000, 0.827979830000000, 0.944515910000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.539439730000000, 0.131920655000000, 0.395260250000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.539439730000000, 0.631920655000000, 0.395260250000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.739909930000000, 0.231074480000000, 0.270542260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.739909930000000, 0.731074480000000, 0.270542260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.735967690000000, 0.471348410000000, 0.986541810000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.735967690000000, 0.971348410000000, 0.986541810000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.986993360000000, 0.114574345000000, 0.308375830000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.986993360000000, 0.614574345000000, 0.308375830000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.539439730000000, 0.118079345000000, 0.895260250000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.539439730000000, 0.618079345000000, 0.895260250000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.733010020000000, 0.008720015000000, 0.255761780000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.733010020000000, 0.508720015000000, 0.255761780000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.822603440000000, 0.150245205000000, 0.916473230000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.822603440000000, 0.650245205000000, 0.916473230000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.460560270000000, 0.368079345000000, 0.604739750000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.460560270000000, 0.868079345000000, 0.604739750000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.177396560000000, 0.349754795000000, 0.083526770000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.177396560000000, 0.849754795000000, 0.083526770000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.177396560000000, 0.400245205000000, 0.583526770000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.177396560000000, 0.900245205000000, 0.583526770000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.822603440000000, 0.099754795000000, 0.416473230000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.822603440000000, 0.599754795000000, 0.416473230000000 ] mass: 15.999400 reduced_to: 95displacements:- atom: 1 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ -0.0261656200000000, -0.0026101200000000, -0.0088172500000000 ] - [ -0.0004478700000000, 0.0000080700000000, -0.0004182100000000 ] - [ 0.0006372700000000, 0.0004233700000000, 0.0003238800000000 ] - [ 0.0005493900000000, -0.0004881800000000, 0.0003054200000000 ] - [ 0.0002358500000000, 0.0000626600000000, 0.0001420200000000 ] - [ 0.0001275200000000, 0.0000432100000000, -0.0000347400000000 ] - [ -0.0015555700000000, 0.0001543500000000, 0.0001521400000000 ] - [ -0.0015553100000000, -0.0001967800000000, 0.0001441000000000 ] - [ -0.0002411000000000, 0.0002470000000000, 0.0001539900000000 ] - [ -0.0002785300000000, -0.0002010500000000, 0.0001964000000000 ] - [ 0.0049346300000000, -0.0000002700000000, 0.0007555600000000 ] - [ 0.0005078100000000, -0.0000674700000000, 0.0000399100000000 ] - [ 0.0002731400000000, 0.0000488700000000, 0.0003690700000000 ] - [ 0.0004035500000000, 0.0000280000000000, 0.0003818500000000 ] - [ -0.0000682400000000, 0.0000333200000000, -0.0004886500000000 ] - [ 0.0000058800000000, 0.0000295500000000, -0.0003804300000000 ] - [ 0.0034206200000000, 0.0058438900000000, -0.0010487500000000 ] - [ 0.0020355300000000, -0.0035529900000000, -0.0009553300000000 ] - [ 0.0002205900000000, -0.0001688500000000, 0.0000561600000000 ] - [ 0.0002254900000000, -0.0006182300000000, -0.0000003400000000 ] - [ 0.0024555200000000, 0.0006927100000000, -0.0041877500000000 ] - [ -0.0000754000000000, 0.0003883700000000, -0.0006263000000000 ] - [ -0.0014707100000000, -0.0006054400000000, 0.0016200400000000 ] - [ -0.0004602300000000, -0.0002727100000000, 0.0005244500000000 ] - [ 0.0020011700000000, -0.0024348500000000, -0.0057123400000000 ] - [ -0.0002124500000000, 0.0004103700000000, -0.0001568200000000 ] - [ 0.0013113600000000, -0.0000129600000000, -0.0012911900000000 ] - [ 0.0007245400000000, -0.0000206000000000, -0.0003429700000000 ] - [ -0.0028031300000000, 0.0004094100000000, 0.0016497600000000 ] - [ -0.0005990600000000, -0.0000942200000000, 0.0001414300000000 ] - [ -0.0002578900000000, 0.0000446400000000, 0.0004641500000000 ] - [ -0.0002813200000000, -0.0000928500000000, 0.0004826100000000 ] - [ 0.0109016600000000, -0.0006886500000000, 0.0095058500000000 ] - [ 0.0012765900000000, 0.0001300300000000, 0.0000584800000000 ] - [ 0.0001092500000000, -0.0000099300000000, -0.0007337600000000 ] - [ 0.0001846800000000, 0.0000731000000000, -0.0008020900000000 ] - [ 0.0042999900000000, -0.0058364600000000, 0.0012203700000000 ] - [ 0.0031478100000000, 0.0054103600000000, 0.0016854800000000 ] - [ -0.0034668400000000, -0.0024432200000000, 0.0007135000000000 ] - [ -0.0031715300000000, 0.0061134600000000, 0.0007525300000000 ] - [ -0.0006761200000000, -0.0001175300000000, 0.0006087600000000 ] - [ -0.0006069300000000, 0.0000898800000000, 0.0003519500000000 ] - [ 0.0005463000000000, -0.0000538200000000, -0.0004964200000000 ] - [ 0.0006162600000000, 0.0000157500000000, -0.0005110700000000 ] - [ -0.0007099000000000, 0.0001430900000000, 0.0005209200000000 ] - [ -0.0006251500000000, -0.0000086000000000, 0.0003283500000000 ] - [ -0.0005011300000000, -0.0000360800000000, -0.0002326700000000 ] - [ 0.0000053100000000, -0.0000606600000000, -0.0002527900000000 ] - [ -0.0033025000000000, 0.0006893600000000, -0.0003173700000000 ] - [ -0.0028694200000000, -0.0006828600000000, -0.0002870300000000 ] - [ 0.0011103400000000, -0.0003306100000000, -0.0005486000000000 ] - [ 0.0007103200000000, 0.0001595100000000, -0.0001245500000000 ] - [ -0.0007366900000000, -0.0003296500000000, -0.0002035400000000 ] - [ -0.0006243600000000, -0.0005338900000000, -0.0005025100000000 ] - [ -0.0002803800000000, 0.0004703400000000, -0.0003180400000000 ] - [ -0.0003214300000000, 0.0001407100000000, -0.0001546800000000 ] - [ -0.0003609300000000, -0.0000984100000000, 0.0000616100000000 ] - [ -0.0003490500000000, 0.0000017200000000, 0.0000611400000000 ] - [ 0.0018287200000000, 0.0005544200000000, -0.0011000800000000 ] - [ 0.0004386800000000, -0.0018654100000000, -0.0000573400000000 ] - [ 0.0004286600000000, 0.0023686900000000, 0.0006549900000000 ] - [ 0.0004734300000000, -0.0013430300000000, 0.0004729900000000 ] - [ 0.0006137900000000, -0.0003598100000000, 0.0004377500000000 ] - [ 0.0002433300000000, -0.0005138400000000, 0.0007620400000000 ] - [ 0.0027455900000000, -0.0000860200000000, 0.0002303800000000 ] - [ 0.0033236800000000, -0.0005428400000000, 0.0007184900000000 ] - [ 0.0005840400000000, -0.0004386200000000, 0.0003269500000000 ] - [ 0.0005509700000000, -0.0003969100000000, 0.0003687600000000 ] - [ 0.0027191900000000, 0.0001491000000000, 0.0017154100000000 ] - [ 0.0000780000000000, 0.0003855700000000, 0.0000320100000000 ] - [ -0.0020673600000000, 0.0008895800000000, 0.0038403900000000 ] - [ 0.0001190000000000, 0.0007555700000000, 0.0009439000000000 ] - [ 0.0006491400000000, -0.0000524400000000, -0.0013043500000000 ] - [ 0.0004084000000000, -0.0019036400000000, -0.0012849700000000 ] - [ 0.0022780000000000, 0.0000847700000000, 0.0005379900000000 ] - [ 0.0004769000000000, 0.0001088500000000, 0.0004732800000000 ] - [ 0.0006417700000000, 0.0006139700000000, -0.0005486500000000 ] - [ -0.0006242400000000, 0.0008594700000000, -0.0006545600000000 ] - [ 0.0003841700000000, -0.0005574200000000, 0.0003413400000000 ] - [ -0.0002307200000000, 0.0012224800000000, 0.0008511200000000 ] - [ -0.0040026300000000, 0.0000935400000000, -0.0011305800000000 ] - [ -0.0004322700000000, 0.0000330400000000, -0.0001393500000000 ] - [ 0.0008556900000000, 0.0002378800000000, 0.0019226600000000 ] - [ 0.0003723400000000, -0.0001584900000000, 0.0004090600000000 ] - [ 0.0004329600000000, 0.0000876100000000, 0.0001384800000000 ] - [ -0.0006079700000000, -0.0006459100000000, 0.0000700500000000 ] - [ -0.0018386900000000, -0.0000660200000000, 0.0013528600000000 ] - [ -0.0005044900000000, -0.0001803300000000, -0.0002707800000000 ] - [ 0.0000822200000000, -0.0000964900000000, -0.0001182900000000 ] - [ 0.0000562900000000, -0.0000426800000000, -0.0000838400000000 ] - [ 0.0005911600000000, 0.0022869900000000, -0.0006960600000000 ] - [ 0.0004654500000000, -0.0010892400000000, -0.0001630800000000 ] - [ 0.0001471600000000, -0.0000459200000000, 0.0004323400000000 ] - [ 0.0001178100000000, -0.0000224200000000, 0.0004562400000000 ] - [ 0.0005481300000000, 0.0000030500000000, -0.0031951900000000 ] - [ -0.0002498700000000, 0.0000357200000000, -0.0005681300000000 ]- atom: 1 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ 0.0261880200000000, 0.0025863300000000, 0.0077887400000000 ] - [ 0.0005596200000000, -0.0000579700000000, -0.0002758200000000 ] - [ -0.0007738500000000, -0.0005030900000000, -0.0001362300000000 ] - [ -0.0006864900000000, 0.0004048100000000, -0.0001184800000000 ] - [ -0.0000984200000000, 0.0000190500000000, -0.0003257500000000 ] - [ 0.0000098800000000, 0.0000384400000000, -0.0001495600000000 ] - [ 0.0014425000000000, -0.0002129800000000, 0.0005308500000000 ] - [ 0.0014427000000000, 0.0001565000000000, 0.0005390000000000 ] - [ 0.0001271200000000, -0.0001966700000000, 0.0005376100000000 ] - [ 0.0001643500000000, 0.0002499200000000, 0.0004950500000000 ] - [ -0.0048321200000000, -0.0000837100000000, -0.0009532200000000 ] - [ -0.0003691900000000, -0.0000136100000000, -0.0002259000000000 ] - [ -0.0004080300000000, 0.0000336400000000, -0.0001851000000000 ] - [ -0.0005372700000000, 0.0000534700000000, -0.0001966500000000 ] - [ 0.0001801200000000, 0.0000162100000000, -0.0002028700000000 ] - [ 0.0001059600000000, 0.0000200000000000, -0.0003106000000000 ] - [ -0.0028621300000000, -0.0050260400000000, 0.0008342800000000 ] - [ -0.0014816600000000, 0.0042987000000000, 0.0007446700000000 ] - [ 0.0003398100000000, -0.0006048500000000, -0.0002609400000000 ] - [ 0.0003349500000000, -0.0001554800000000, -0.0002043700000000 ] - [ -0.0030157100000000, 0.0000811600000000, 0.0044234000000000 ] - [ -0.0004834400000000, 0.0003850900000000, 0.0008320000000000 ] - [ 0.0009129100000000, -0.0001694300000000, -0.0013979900000000 ] - [ -0.0001005000000000, -0.0005000000000000, -0.0003158100000000 ] - [ -0.0022653800000000, 0.0023631400000000, 0.0061481100000000 ] - [ -0.0000574300000000, -0.0004729000000000, 0.0006302400000000 ] - [ -0.0004586500000000, -0.0000189300000000, 0.0005557000000000 ] - [ 0.0001253800000000, -0.0000110100000000, -0.0003848700000000 ] - [ 0.0025103900000000, -0.0003431700000000, -0.0011767000000000 ] - [ 0.0003304400000000, 0.0001596900000000, 0.0003354200000000 ] - [ -0.0005894000000000, -0.0000767600000000, 0.0002659700000000 ] - [ -0.0005661200000000, 0.0000615900000000, 0.0002477200000000 ] - [ -0.0099716000000000, 0.0007110700000000, -0.0101151000000000 ] - [ -0.0004292700000000, -0.0000980600000000, -0.0007835200000000 ] - [ 0.0001581000000000, -0.0000533700000000, 0.0002598200000000 ] - [ 0.0000816600000000, -0.0001392100000000, 0.0003294000000000 ] - [ -0.0051545600000000, 0.0058922200000000, -0.0004753500000000 ] - [ -0.0039997700000000, -0.0054025500000000, -0.0009621600000000 ] - [ 0.0037848600000000, 0.0024973400000000, -0.0011818500000000 ] - [ 0.0034805400000000, -0.0060154800000000, -0.0012244600000000 ] - [ -0.0003871700000000, 0.0001607200000000, 0.0001604100000000 ] - [ -0.0004564300000000, -0.0000453500000000, 0.0004152500000000 ] - [ 0.0005165700000000, 0.0000974800000000, -0.0002718300000000 ] - [ 0.0004470200000000, 0.0000271900000000, -0.0002576700000000 ] - [ -0.0003946900000000, -0.0001626500000000, -0.0002667300000000 ] - [ -0.0004788800000000, -0.0000093000000000, -0.0000729500000000 ] - [ 0.0009497600000000, -0.0000665400000000, -0.0000656900000000 ] - [ 0.0004448700000000, -0.0000423000000000, -0.0000465900000000 ] - [ 0.0028412700000000, -0.0005899900000000, 0.0006102300000000 ] - [ 0.0024106100000000, 0.0007891700000000, 0.0005840900000000 ] - [ -0.0000015500000000, 0.0003484600000000, 0.0002919500000000 ] - [ 0.0003946900000000, -0.0001419900000000, -0.0001319000000000 ] - [ -0.0003497900000000, -0.0005997600000000, -0.0007225200000000 ] - [ -0.0004620600000000, -0.0003976900000000, -0.0004262000000000 ] - [ -0.0000375200000000, 0.0005424700000000, -0.0011781200000000 ] - [ 0.0000036000000000, 0.0008740700000000, -0.0013430900000000 ] - [ -0.0000922500000000, -0.0000046400000000, 0.0002367100000000 ] - [ -0.0001040800000000, -0.0001049700000000, 0.0002371400000000 ] - [ -0.0009249300000000, -0.0004805300000000, 0.0004111500000000 ] - [ 0.0006218100000000, 0.0018279200000000, -0.0007092800000000 ] - [ 0.0006542100000000, -0.0014442900000000, 0.0002720000000000 ] - [ 0.0005083900000000, 0.0021943700000000, 0.0004933600000000 ] - [ -0.0002917300000000, -0.0006538900000000, 0.0010594600000000 ] - [ 0.0000743600000000, -0.0004988000000000, 0.0007326300000000 ] - [ -0.0029721400000000, 0.0002370300000000, -0.0008073500000000 ] - [ -0.0035477400000000, 0.0006605300000000, -0.0012915800000000 ] - [ 0.0005021400000000, -0.0004916000000000, 0.0005995400000000 ] - [ 0.0005353700000000, -0.0005340900000000, 0.0005583900000000 ] - [ -0.0038669500000000, -0.0001941600000000, -0.0015458100000000 ] - [ -0.0011916200000000, -0.0003649600000000, 0.0002238600000000 ] - [ 0.0024330500000000, 0.0001244500000000, -0.0023494300000000 ] - [ 0.0002002400000000, 0.0002587100000000, 0.0005533600000000 ] - [ -0.0009761400000000, -0.0009559600000000, -0.0001964200000000 ] - [ -0.0007275100000000, 0.0008798800000000, -0.0002181500000000 ] - [ -0.0020520700000000, 0.0000495900000000, 0.0000451800000000 ] - [ -0.0002541700000000, 0.0000245700000000, 0.0000963800000000 ] - [ -0.0015861400000000, 0.0003627900000000, -0.0002740800000000 ] - [ -0.0004599700000000, 0.0000723300000000, -0.0002742500000000 ] - [ 0.0007211600000000, 0.0005370500000000, -0.0005949100000000 ] - [ 0.0013346600000000, -0.0012339400000000, -0.0010974400000000 ] - [ 0.0044594400000000, 0.0000098600000000, 0.0008225600000000 ] - [ 0.0008851500000000, 0.0000699400000000, -0.0001600100000000 ] - [ -0.0006211800000000, -0.0003698700000000, -0.0013441900000000 ] - [ -0.0001481000000000, 0.0000245900000000, 0.0001606500000000 ] - [ -0.0013550500000000, -0.0001926800000000, 0.0007224700000000 ] - [ -0.0004512900000000, 0.0005998000000000, 0.0006954800000000 ] - [ 0.0012500600000000, -0.0000815000000000, -0.0020937800000000 ] - [ -0.0000813700000000, 0.0000315300000000, -0.0004795300000000 ] - [ -0.0003052700000000, -0.0000372400000000, -0.0004517600000000 ] - [ -0.0002796600000000, -0.0000906700000000, -0.0004866800000000 ] - [ -0.0000199400000000, -0.0021533900000000, 0.0014599300000000 ] - [ 0.0001053300000000, 0.0012361200000000, 0.0009285400000000 ] - [ 0.0004387100000000, -0.0001028300000000, 0.0003173600000000 ] - [ 0.0004676500000000, -0.0001254400000000, 0.0002926200000000 ] - [ -0.0011272900000000, 0.0001451600000000, 0.0024273600000000 ] - [ -0.0003337100000000, 0.0001120600000000, -0.0001848300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024880700000000, -0.0234893200000000, -0.0059298600000000 ] - [ 0.0000887500000000, 0.0019713800000000, -0.0002464100000000 ] - [ -0.0000167100000000, 0.0000521700000000, 0.0005284900000000 ] - [ -0.0001095200000000, 0.0000975100000000, -0.0003165500000000 ] - [ 0.0000788800000000, -0.0001285000000000, -0.0000451400000000 ] - [ 0.0000699700000000, 0.0002089500000000, -0.0000958200000000 ] - [ 0.0001093500000000, 0.0020204400000000, 0.0030779800000000 ] - [ -0.0002283300000000, 0.0020132700000000, -0.0023971600000000 ] - [ 0.0001675700000000, -0.0000136500000000, -0.0000338100000000 ] - [ -0.0002830500000000, 0.0001226200000000, 0.0007247300000000 ] - [ 0.0003795100000000, -0.0018256100000000, -0.0001677300000000 ] - [ -0.0000432300000000, 0.0010769700000000, -0.0000588900000000 ] - [ -0.0004042300000000, 0.0000340900000000, -0.0004016900000000 ] - [ 0.0003245700000000, 0.0001481700000000, 0.0006070300000000 ] - [ 0.0000479000000000, -0.0001488000000000, -0.0002927300000000 ] - [ 0.0000515600000000, 0.0001971000000000, -0.0003585100000000 ] - [ 0.0052673900000000, 0.0031537400000000, -0.0008491200000000 ] - [ -0.0032948400000000, 0.0031880900000000, 0.0002384100000000 ] - [ 0.0002854100000000, -0.0003245000000000, 0.0000303500000000 ] - [ 0.0002830700000000, -0.0004542800000000, -0.0001406500000000 ] - [ -0.0001851500000000, -0.0024993300000000, -0.0001804400000000 ] - [ -0.0002991100000000, 0.0019048100000000, 0.0002126900000000 ] - [ -0.0004804400000000, -0.0028380200000000, 0.0004639100000000 ] - [ -0.0002390900000000, 0.0013791100000000, -0.0000212200000000 ] - [ -0.0004795300000000, -0.0029853300000000, -0.0004213100000000 ] - [ -0.0002250800000000, 0.0019765300000000, 0.0005118600000000 ] - [ 0.0005215600000000, -0.0005740700000000, -0.0002770600000000 ] - [ 0.0004685500000000, 0.0005234300000000, -0.0004682700000000 ] - [ 0.0001296500000000, -0.0009779600000000, 0.0005310800000000 ] - [ -0.0001497800000000, 0.0009593400000000, 0.0003181600000000 ] - [ -0.0004045200000000, -0.0000694100000000, 0.0002548600000000 ] - [ -0.0004089500000000, 0.0000515600000000, 0.0005777000000000 ] - [ -0.0000503100000000, -0.0090448800000000, -0.0015139200000000 ] - [ 0.0004837900000000, 0.0026444500000000, -0.0000182900000000 ] - [ 0.0000350400000000, -0.0004742200000000, 0.0003380700000000 ] - [ 0.0001819700000000, 0.0004442100000000, -0.0006770200000000 ] - [ -0.0043751300000000, 0.0040336300000000, 0.0014436900000000 ] - [ 0.0025904700000000, 0.0044465100000000, -0.0003035600000000 ] - [ -0.0044590500000000, 0.0053278000000000, -0.0067937300000000 ] - [ 0.0066456300000000, 0.0061767400000000, 0.0091396400000000 ] - [ -0.0006057900000000, 0.0003357400000000, 0.0003303000000000 ] - [ -0.0004879400000000, -0.0002774600000000, 0.0004138100000000 ] - [ 0.0005309700000000, -0.0001570900000000, -0.0002867100000000 ] - [ 0.0005311000000000, 0.0001501300000000, -0.0005540700000000 ] - [ -0.0005409900000000, 0.0003168900000000, 0.0001097800000000 ] - [ -0.0005491100000000, -0.0003298600000000, 0.0001160500000000 ] - [ 0.0001067300000000, 0.0002950800000000, -0.0002494100000000 ] - [ 0.0002058800000000, -0.0003623700000000, -0.0001180500000000 ] - [ 0.0009503600000000, -0.0004907200000000, 0.0000813800000000 ] - [ -0.0013957600000000, -0.0007669900000000, 0.0001701600000000 ] - [ 0.0005479600000000, 0.0006383400000000, -0.0004394400000000 ] - [ 0.0005987300000000, -0.0005762700000000, 0.0000878500000000 ] - [ -0.0005220400000000, -0.0001733200000000, -0.0005305400000000 ] - [ -0.0005873300000000, -0.0007648700000000, -0.0004270100000000 ] - [ -0.0000197800000000, 0.0004146300000000, -0.0012581900000000 ] - [ -0.0002957200000000, 0.0005513300000000, -0.0002600300000000 ] - [ -0.0001951300000000, -0.0000473500000000, 0.0002107100000000 ] - [ -0.0002823900000000, -0.0000585900000000, 0.0000461300000000 ] - [ 0.0006214800000000, 0.0018320500000000, -0.0003686100000000 ] - [ 0.0002976100000000, -0.0021739900000000, 0.0003744100000000 ] - [ 0.0009729600000000, -0.0014946400000000, -0.0002491300000000 ] - [ -0.0005003200000000, 0.0011435100000000, 0.0009967800000000 ] - [ 0.0000968400000000, -0.0001636200000000, 0.0005058700000000 ] - [ 0.0001368600000000, -0.0008245300000000, 0.0008212800000000 ] - [ 0.0009714200000000, -0.0013672100000000, 0.0019371000000000 ] - [ -0.0008172700000000, -0.0014835700000000, -0.0023067300000000 ] - [ 0.0005453000000000, -0.0002005800000000, 0.0004828800000000 ] - [ 0.0005458400000000, -0.0006716600000000, 0.0003689100000000 ] - [ -0.0002556600000000, 0.0035215100000000, 0.0002171100000000 ] - [ 0.0004733500000000, -0.0027139400000000, 0.0015972500000000 ] - [ -0.0004421500000000, 0.0030223100000000, 0.0017942400000000 ] - [ 0.0003446900000000, -0.0008505100000000, 0.0001803000000000 ] - [ 0.0007124600000000, -0.0001962500000000, 0.0019726800000000 ] - [ -0.0009540200000000, -0.0022902700000000, -0.0035598000000000 ] - [ 0.0000847500000000, 0.0015622600000000, 0.0001094200000000 ] - [ 0.0000804700000000, -0.0006529000000000, 0.0002368300000000 ] - [ -0.0005821600000000, 0.0050993100000000, -0.0006370200000000 ] - [ -0.0001798600000000, -0.0011802100000000, 0.0000399900000000 ] - [ 0.0004417200000000, -0.0012920400000000, 0.0004583500000000 ] - [ 0.0008975000000000, 0.0014398700000000, -0.0006853100000000 ] - [ 0.0003696300000000, 0.0020992000000000, 0.0000614600000000 ] - [ 0.0001864500000000, -0.0007602600000000, -0.0002286600000000 ] - [ 0.0002316800000000, 0.0008225000000000, 0.0003526000000000 ] - [ 0.0001892600000000, -0.0006858400000000, 0.0003245200000000 ] - [ -0.0005437900000000, 0.0047291600000000, 0.0009885300000000 ] - [ -0.0010126400000000, -0.0017356400000000, -0.0003432700000000 ] - [ -0.0002673100000000, 0.0004321200000000, -0.0002016700000000 ] - [ -0.0004239700000000, -0.0005159900000000, -0.0003252900000000 ] - [ -0.0001663700000000, -0.0000014600000000, -0.0004491500000000 ] - [ -0.0000458500000000, -0.0001386700000000, -0.0001539300000000 ] - [ 0.0019431600000000, -0.0011997100000000, 0.0008426300000000 ] - [ -0.0014188700000000, -0.0009251700000000, 0.0003415400000000 ] - [ 0.0003592100000000, -0.0000330500000000, 0.0002077900000000 ] - [ 0.0002511400000000, -0.0001196600000000, 0.0004599400000000 ] - [ -0.0005601000000000, 0.0014087900000000, -0.0000384900000000 ] - [ -0.0001596800000000, -0.0004432200000000, -0.0005578700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026624500000000, 0.0235335800000000, 0.0053109500000000 ] - [ 0.0000234400000000, -0.0020208200000000, -0.0004450800000000 ] - [ -0.0001206500000000, -0.0001374900000000, -0.0003431600000000 ] - [ -0.0000278000000000, -0.0001749400000000, 0.0005013800000000 ] - [ 0.0000573700000000, 0.0002096800000000, -0.0001412400000000 ] - [ 0.0000674500000000, -0.0001274700000000, -0.0000891900000000 ] - [ -0.0002216400000000, -0.0020626600000000, -0.0023606500000000 ] - [ 0.0001167100000000, -0.0020697700000000, 0.0031127600000000 ] - [ -0.0002790400000000, 0.0000610900000000, 0.0007240000000000 ] - [ 0.0001712200000000, -0.0000710100000000, -0.0000343300000000 ] - [ -0.0002333200000000, 0.0017450500000000, -0.0000148900000000 ] - [ 0.0001795600000000, -0.0011578100000000, -0.0001258400000000 ] - [ 0.0002661900000000, 0.0000457500000000, 0.0005848800000000 ] - [ -0.0004623000000000, -0.0000644100000000, -0.0004225200000000 ] - [ 0.0000653100000000, 0.0001982800000000, -0.0003989000000000 ] - [ 0.0000608100000000, -0.0001475400000000, -0.0003331100000000 ] - [ -0.0046619100000000, -0.0023795900000000, 0.0006393200000000 ] - [ 0.0038881800000000, -0.0024203100000000, -0.0004433800000000 ] - [ 0.0002747300000000, -0.0004530800000000, -0.0002363600000000 ] - [ 0.0002769600000000, -0.0003154800000000, -0.0000644800000000 ] - [ -0.0003629000000000, 0.0032767700000000, 0.0003728500000000 ] - [ -0.0002628500000000, -0.0011307700000000, -0.0000039500000000 ] - [ -0.0000758400000000, 0.0020600100000000, -0.0002480900000000 ] - [ -0.0003208800000000, -0.0021524300000000, 0.0002217800000000 ] - [ 0.0001996400000000, 0.0029412100000000, 0.0009201000000000 ] - [ -0.0000412400000000, -0.0020413000000000, -0.0000400100000000 ] - [ 0.0003241000000000, 0.0005420200000000, -0.0004456400000000 ] - [ 0.0003782800000000, -0.0005545600000000, -0.0002628100000000 ] - [ -0.0004083200000000, 0.0010365800000000, -0.0000718300000000 ] - [ -0.0001162400000000, -0.0008930800000000, 0.0001635600000000 ] - [ -0.0004433400000000, 0.0000349700000000, 0.0004699700000000 ] - [ -0.0004390000000000, -0.0000800000000000, 0.0001485400000000 ] - [ 0.0008538600000000, 0.0090780300000000, 0.0007508800000000 ] - [ 0.0003671800000000, -0.0026114600000000, -0.0007031500000000 ] - [ 0.0002327300000000, 0.0004028000000000, -0.0008134500000000 ] - [ 0.0000855900000000, -0.0005064800000000, 0.0002005000000000 ] - [ 0.0034949400000000, -0.0040137000000000, -0.0006839000000000 ] - [ -0.0034627000000000, -0.0044096300000000, 0.0010462900000000 ] - [ 0.0047051500000000, -0.0052156500000000, 0.0062723700000000 ] - [ -0.0064406400000000, -0.0061609300000000, -0.0097267200000000 ] - [ -0.0004560000000000, -0.0002911900000000, 0.0004368300000000 ] - [ -0.0005738100000000, 0.0003190500000000, 0.0003555000000000 ] - [ 0.0005313000000000, 0.0002016400000000, -0.0004787800000000 ] - [ 0.0005307100000000, -0.0001090500000000, -0.0002134000000000 ] - [ -0.0005629700000000, -0.0003300300000000, 0.0001485400000000 ] - [ -0.0005547400000000, 0.0003101200000000, 0.0001394500000000 ] - [ 0.0003469200000000, -0.0003973600000000, -0.0000504200000000 ] - [ 0.0002461000000000, 0.0002594100000000, -0.0001796900000000 ] - [ -0.0014041700000000, 0.0006004500000000, 0.0002101200000000 ] - [ 0.0009427400000000, 0.0008637800000000, 0.0001245900000000 ] - [ 0.0005572600000000, -0.0006137100000000, 0.0001858200000000 ] - [ 0.0005038000000000, 0.0005919600000000, -0.0003471800000000 ] - [ -0.0005635500000000, -0.0007593300000000, -0.0003991900000000 ] - [ -0.0004986200000000, -0.0001662600000000, -0.0005008100000000 ] - [ -0.0002963800000000, 0.0006008100000000, -0.0002383800000000 ] - [ -0.0000210100000000, 0.0004574300000000, -0.0012334600000000 ] - [ -0.0002562800000000, -0.0000545000000000, 0.0000894300000000 ] - [ -0.0001688400000000, -0.0000457000000000, 0.0002535000000000 ] - [ 0.0003669500000000, -0.0018111500000000, -0.0003711600000000 ] - [ 0.0007701100000000, 0.0021269300000000, -0.0011442900000000 ] - [ 0.0001202300000000, 0.0024310200000000, 0.0011740100000000 ] - [ 0.0015227100000000, -0.0002827500000000, -0.0000490500000000 ] - [ 0.0002233400000000, -0.0008510100000000, 0.0009952900000000 ] - [ 0.0001804600000000, -0.0001863100000000, 0.0006708000000000 ] - [ -0.0011922400000000, 0.0016428200000000, -0.0025457100000000 ] - [ 0.0005905600000000, 0.0014673200000000, 0.0016981100000000 ] - [ 0.0005406600000000, -0.0007294900000000, 0.0004468700000000 ] - [ 0.0005407300000000, -0.0002623600000000, 0.0005616600000000 ] - [ -0.0008696000000000, -0.0035543600000000, -0.0000031800000000 ] - [ -0.0015773900000000, 0.0027262000000000, -0.0013361400000000 ] - [ 0.0007741300000000, -0.0020067900000000, -0.0003150700000000 ] - [ -0.0000285500000000, 0.0018639400000000, 0.0013171400000000 ] - [ -0.0010242200000000, -0.0008083100000000, -0.0034504200000000 ] - [ 0.0006437900000000, 0.0012751300000000, 0.0020738000000000 ] - [ 0.0001386300000000, -0.0014256500000000, 0.0004755100000000 ] - [ 0.0001407100000000, 0.0007856300000000, 0.0003288900000000 ] - [ -0.0004535700000000, -0.0041463200000000, -0.0002558300000000 ] - [ -0.0009093000000000, 0.0021121800000000, -0.0009717500000000 ] - [ 0.0006610000000000, 0.0012753800000000, -0.0007128400000000 ] - [ 0.0002059200000000, -0.0014680200000000, 0.0004300500000000 ] - [ 0.0000927100000000, -0.0019959700000000, -0.0003588000000000 ] - [ 0.0002626800000000, 0.0008629200000000, -0.0000725000000000 ] - [ -0.0000098900000000, -0.0009582700000000, 0.0002083800000000 ] - [ 0.0000318300000000, 0.0005522400000000, 0.0002458100000000 ] - [ -0.0004367100000000, -0.0048205800000000, -0.0001723600000000 ] - [ -0.0000532200000000, 0.0016905300000000, 0.0011073900000000 ] - [ -0.0003115700000000, -0.0005809100000000, -0.0005565600000000 ] - [ -0.0001619400000000, 0.0003673900000000, -0.0004228300000000 ] - [ -0.0000556900000000, -0.0001302100000000, -0.0001195700000000 ] - [ -0.0001767700000000, 0.0000039800000000, -0.0004151100000000 ] - [ -0.0013403700000000, 0.0013467800000000, -0.0000934600000000 ] - [ 0.0020117900000000, 0.0010692800000000, 0.0004108300000000 ] - [ 0.0002248600000000, -0.0001136300000000, 0.0005444500000000 ] - [ 0.0003333700000000, -0.0000290200000000, 0.0002913300000000 ] - [ -0.0000257500000000, -0.0012602200000000, -0.0007072300000000 ] - [ -0.0004240900000000, 0.0005906900000000, -0.0001964200000000 ]- atom: 1 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ -0.0007099400000000, -0.0047012400000000, -0.0185967500000000 ] - [ 0.0001261100000000, 0.0000619300000000, -0.0010389200000000 ] - [ 0.0001070600000000, 0.0003770200000000, 0.0001841800000000 ] - [ 0.0000280800000000, -0.0004145000000000, 0.0001638200000000 ] - [ 0.0002697200000000, 0.0000217300000000, 0.0006803400000000 ] - [ 0.0001115100000000, 0.0000575200000000, 0.0002670400000000 ] - [ 0.0001556200000000, 0.0025900800000000, 0.0011221500000000 ] - [ 0.0001635500000000, -0.0026064200000000, 0.0011242800000000 ] - [ -0.0001934700000000, -0.0003983600000000, 0.0009235800000000 ] - [ -0.0001432100000000, 0.0004496600000000, 0.0009430000000000 ] - [ -0.0003326600000000, -0.0001096900000000, -0.0019805600000000 ] - [ 0.0000739700000000, 0.0000228000000000, -0.0005985000000000 ] - [ 0.0000646200000000, -0.0002255600000000, 0.0003129700000000 ] - [ 0.0000904600000000, 0.0003796000000000, 0.0004811700000000 ] - [ -0.0000516600000000, -0.0000287800000000, 0.0005458700000000 ] - [ 0.0000347800000000, 0.0000358600000000, 0.0000408300000000 ] - [ -0.0015232800000000, -0.0017204700000000, -0.0032670900000000 ] - [ -0.0012134200000000, 0.0016254100000000, -0.0027081800000000 ] - [ 0.0002926500000000, -0.0001381900000000, 0.0013512400000000 ] - [ 0.0003270100000000, -0.0007838200000000, 0.0012817800000000 ] - [ -0.0045356600000000, -0.0001825900000000, 0.0033707300000000 ] - [ -0.0004686000000000, 0.0005543500000000, 0.0001012100000000 ] - [ 0.0008380000000000, -0.0006376700000000, 0.0047936600000000 ] - [ -0.0002829300000000, -0.0001648100000000, 0.0008094300000000 ] - [ -0.0042469700000000, 0.0016689000000000, 0.0035279700000000 ] - [ -0.0003825500000000, -0.0003116000000000, 0.0001264500000000 ] - [ 0.0005502800000000, -0.0001041600000000, 0.0018070600000000 ] - [ 0.0006341400000000, 0.0000625800000000, 0.0001918300000000 ] - [ 0.0041919900000000, 0.0006619800000000, 0.0052030900000000 ] - [ 0.0001619300000000, -0.0002650000000000, 0.0007162100000000 ] - [ -0.0001876800000000, -0.0003763200000000, 0.0019612400000000 ] - [ -0.0001740300000000, 0.0003743500000000, 0.0019933100000000 ] - [ 0.0051791900000000, -0.0010183600000000, 0.0001134300000000 ] - [ 0.0002764800000000, 0.0001232500000000, -0.0007522300000000 ] - [ -0.0002229500000000, 0.0007797600000000, 0.0011928600000000 ] - [ -0.0003000500000000, -0.0004946500000000, 0.0014013900000000 ] - [ -0.0021402500000000, 0.0039044300000000, -0.0047536700000000 ] - [ -0.0013000200000000, -0.0034492500000000, -0.0039605700000000 ] - [ 0.0029623800000000, -0.0032947400000000, -0.0018592200000000 ] - [ 0.0035366600000000, 0.0087879400000000, -0.0002562900000000 ] - [ -0.0006407400000000, 0.0005218600000000, -0.0006333300000000 ] - [ -0.0005712600000000, 0.0000913800000000, -0.0000865900000000 ] - [ 0.0004380800000000, -0.0000794700000000, -0.0010351500000000 ] - [ 0.0003732500000000, -0.0005826900000000, -0.0014544300000000 ] - [ -0.0003540300000000, -0.0006764300000000, -0.0008081000000000 ] - [ -0.0004512600000000, 0.0001583400000000, -0.0002975900000000 ] - [ -0.0001010400000000, 0.0000123900000000, -0.0010007500000000 ] - [ 0.0000565000000000, -0.0000892300000000, -0.0004267000000000 ] - [ 0.0011167100000000, -0.0007205000000000, 0.0015347800000000 ] - [ 0.0007389200000000, 0.0007927600000000, 0.0013176900000000 ] - [ -0.0003985600000000, -0.0011930400000000, -0.0015847400000000 ] - [ 0.0004212400000000, 0.0002643400000000, -0.0005334200000000 ] - [ -0.0005605500000000, -0.0008353400000000, -0.0014679400000000 ] - [ -0.0005939600000000, -0.0005772200000000, -0.0008968400000000 ] - [ 0.0000156500000000, 0.0003048900000000, -0.0013238500000000 ] - [ 0.0001466100000000, 0.0014131000000000, -0.0017676500000000 ] - [ -0.0004338500000000, 0.0000012500000000, -0.0004222400000000 ] - [ -0.0004351500000000, -0.0001135100000000, -0.0004324700000000 ] - [ -0.0001453600000000, -0.0006995200000000, 0.0029606800000000 ] - [ 0.0006832000000000, 0.0008220300000000, 0.0005340900000000 ] - [ 0.0006844100000000, -0.0007233500000000, 0.0014940900000000 ] - [ 0.0006005400000000, 0.0018400700000000, 0.0033007700000000 ] - [ -0.0006439900000000, 0.0003982800000000, -0.0016590900000000 ] - [ 0.0001178300000000, -0.0003781500000000, 0.0003024400000000 ] - [ -0.0007037900000000, 0.0008198700000000, 0.0014670500000000 ] - [ -0.0001152200000000, -0.0019830700000000, 0.0017668900000000 ] - [ 0.0004347700000000, 0.0000699400000000, -0.0005553300000000 ] - [ 0.0004649100000000, -0.0004567000000000, -0.0001350100000000 ] - [ 0.0005785600000000, 0.0001471500000000, 0.0044053700000000 ] - [ -0.0010606600000000, 0.0007368000000000, 0.0004767300000000 ] - [ 0.0026568800000000, 0.0007239000000000, 0.0004682300000000 ] - [ 0.0003136700000000, 0.0005265600000000, 0.0010591300000000 ] - [ -0.0010538400000000, 0.0015871900000000, -0.0008430300000000 ] - [ -0.0003188000000000, -0.0022889300000000, -0.0014623000000000 ] - [ -0.0014735100000000, -0.0003566300000000, -0.0041319200000000 ] - [ -0.0000384100000000, 0.0000489700000000, 0.0000899800000000 ] - [ -0.0008056800000000, 0.0002841300000000, 0.0019248300000000 ] - [ -0.0005303300000000, 0.0004403900000000, 0.0000741400000000 ] - [ 0.0006974800000000, 0.0002863900000000, 0.0000005500000000 ] - [ 0.0014704900000000, -0.0012720800000000, -0.0002732500000000 ] - [ -0.0003011200000000, 0.0002699600000000, 0.0000015800000000 ] - [ 0.0003297300000000, 0.0000102200000000, -0.0000008300000000 ] - [ 0.0013559700000000, -0.0003334400000000, -0.0012822500000000 ] - [ 0.0002782000000000, -0.0000587200000000, 0.0002524400000000 ] - [ -0.0006773600000000, 0.0007716800000000, 0.0031064300000000 ] - [ -0.0005859900000000, -0.0000457500000000, 0.0010511700000000 ] - [ 0.0010003200000000, 0.0000236900000000, -0.0020284200000000 ] - [ -0.0001819100000000, -0.0000772900000000, -0.0006323000000000 ] - [ -0.0002040900000000, -0.0002762900000000, -0.0009710200000000 ] - [ -0.0001612700000000, 0.0000121100000000, -0.0009580300000000 ] - [ -0.0012551000000000, 0.0000211400000000, 0.0033523900000000 ] - [ -0.0017240700000000, -0.0006640900000000, 0.0035216200000000 ] - [ 0.0007686000000000, -0.0002244200000000, -0.0007570200000000 ] - [ 0.0007271500000000, -0.0001072700000000, -0.0007792700000000 ] - [ -0.0013273600000000, 0.0002601900000000, -0.0005697600000000 ] - [ -0.0003882300000000, 0.0000392000000000, -0.0002125800000000 ]- atom: 1 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ 0.0010491200000000, 0.0047415400000000, 0.0179743100000000 ] - [ -0.0000138500000000, -0.0001119300000000, 0.0003464900000000 ] - [ -0.0002449900000000, -0.0004596700000000, -0.0000031400000000 ] - [ -0.0001666000000000, 0.0003341400000000, 0.0000175200000000 ] - [ -0.0001318700000000, 0.0000595700000000, -0.0008662300000000 ] - [ 0.0000257600000000, 0.0000242300000000, -0.0004526000000000 ] - [ -0.0002637900000000, -0.0026239200000000, -0.0004348600000000 ] - [ -0.0002714000000000, 0.0025426300000000, -0.0004370600000000 ] - [ 0.0000820000000000, 0.0004516600000000, -0.0002326300000000 ] - [ 0.0000305200000000, -0.0004035500000000, -0.0002521900000000 ] - [ 0.0004809100000000, 0.0000282400000000, 0.0017994800000000 ] - [ 0.0000641200000000, -0.0001046000000000, 0.0004142400000000 ] - [ -0.0002017600000000, 0.0003085000000000, -0.0001260400000000 ] - [ -0.0002260100000000, -0.0002989300000000, -0.0002940600000000 ] - [ 0.0001636300000000, 0.0000781500000000, -0.0012377400000000 ] - [ 0.0000777500000000, 0.0000138700000000, -0.0007318600000000 ] - [ 0.0020697700000000, 0.0024864800000000, 0.0030812700000000 ] - [ 0.0017650300000000, -0.0008441700000000, 0.0025179500000000 ] - [ 0.0002677300000000, -0.0006325000000000, -0.0015546900000000 ] - [ 0.0002337700000000, 0.0000065300000000, -0.0014860200000000 ] - [ 0.0039231700000000, 0.0009523500000000, -0.0031461700000000 ] - [ -0.0000926600000000, 0.0002199400000000, 0.0000987100000000 ] - [ -0.0014165200000000, -0.0001378700000000, -0.0046224100000000 ] - [ -0.0002776300000000, -0.0006077800000000, -0.0006000100000000 ] - [ 0.0040302300000000, -0.0017330300000000, -0.0030449500000000 ] - [ 0.0001142600000000, 0.0002457300000000, 0.0003554800000000 ] - [ 0.0002998200000000, 0.0000730200000000, -0.0025342000000000 ] - [ 0.0002144100000000, -0.0000940000000000, -0.0009152500000000 ] - [ -0.0044175200000000, -0.0005938900000000, -0.0047018000000000 ] - [ -0.0004266200000000, 0.0003291800000000, -0.0002439200000000 ] - [ -0.0006608100000000, 0.0003487300000000, -0.0012354700000000 ] - [ -0.0006746600000000, -0.0004101100000000, -0.0012679800000000 ] - [ -0.0043324100000000, 0.0010490900000000, -0.0008973100000000 ] - [ 0.0005712400000000, -0.0000917200000000, 0.0000198600000000 ] - [ 0.0004891300000000, -0.0008405900000000, -0.0016717800000000 ] - [ 0.0005655400000000, 0.0004261000000000, -0.0018782000000000 ] - [ 0.0012943300000000, -0.0038833700000000, 0.0054819800000000 ] - [ 0.0004524100000000, 0.0034922800000000, 0.0046931000000000 ] - [ -0.0026879800000000, 0.0033724800000000, 0.0014275800000000 ] - [ -0.0032829300000000, -0.0087457700000000, -0.0001990000000000 ] - [ -0.0004216500000000, -0.0004806800000000, 0.0014017200000000 ] - [ -0.0004907800000000, -0.0000479400000000, 0.0008536700000000 ] - [ 0.0006236900000000, 0.0001197500000000, 0.0002668800000000 ] - [ 0.0006895500000000, 0.0006286100000000, 0.0006892800000000 ] - [ -0.0007477100000000, 0.0006566600000000, 0.0010640600000000 ] - [ -0.0006517800000000, -0.0001733600000000, 0.0005553100000000 ] - [ 0.0005545900000000, -0.0001148800000000, 0.0007016100000000 ] - [ 0.0003937800000000, -0.0000135700000000, 0.0001261000000000 ] - [ -0.0015709700000000, 0.0008253000000000, -0.0012386000000000 ] - [ -0.0011927100000000, -0.0006935200000000, -0.0010212300000000 ] - [ 0.0014928400000000, 0.0012032700000000, 0.0013240600000000 ] - [ 0.0006815200000000, -0.0002462800000000, 0.0002781300000000 ] - [ -0.0005270000000000, -0.0000950600000000, 0.0005393100000000 ] - [ -0.0004928100000000, -0.0003562100000000, -0.0000340400000000 ] - [ -0.0003316800000000, 0.0007048000000000, -0.0001677500000000 ] - [ -0.0004613500000000, -0.0003981100000000, 0.0002734600000000 ] - [ -0.0000174000000000, -0.0001053000000000, 0.0007215800000000 ] - [ -0.0000162000000000, 0.0000116300000000, 0.0007320200000000 ] - [ 0.0011121600000000, 0.0007303600000000, -0.0036885600000000 ] - [ 0.0003798900000000, -0.0008683100000000, -0.0013002600000000 ] - [ 0.0004037400000000, 0.0016579100000000, -0.0005623200000000 ] - [ 0.0004347400000000, -0.0009541400000000, -0.0023506000000000 ] - [ 0.0009546100000000, -0.0014075400000000, 0.0031461100000000 ] - [ 0.0001991200000000, -0.0006348300000000, 0.0011934900000000 ] - [ 0.0004769900000000, -0.0006650800000000, -0.0020552300000000 ] - [ -0.0001134300000000, 0.0021072900000000, -0.0023568500000000 ] - [ 0.0006522200000000, -0.0010050300000000, 0.0014867100000000 ] - [ 0.0006217400000000, -0.0004735600000000, 0.0010635700000000 ] - [ -0.0017884100000000, -0.0002351300000000, -0.0042950900000000 ] - [ -0.0000466600000000, -0.0007199400000000, -0.0002288500000000 ] - [ -0.0023168000000000, 0.0002830300000000, 0.0009862500000000 ] - [ 0.0000043300000000, 0.0004837100000000, 0.0004322300000000 ] - [ 0.0007421200000000, -0.0026189700000000, -0.0006606000000000 ] - [ 0.0000027300000000, 0.0012733800000000, -0.0000411000000000 ] - [ 0.0016816100000000, 0.0004896700000000, 0.0047063700000000 ] - [ 0.0002605000000000, 0.0000845100000000, 0.0004803300000000 ] - [ -0.0002492000000000, 0.0006563100000000, -0.0028262600000000 ] - [ -0.0005560800000000, 0.0004897300000000, -0.0010010700000000 ] - [ 0.0004064300000000, -0.0003021600000000, -0.0002615100000000 ] - [ -0.0003747200000000, 0.0012618700000000, 0.0000123100000000 ] - [ 0.0007713300000000, -0.0001666200000000, -0.0002913600000000 ] - [ 0.0001219300000000, 0.0000927300000000, -0.0002968700000000 ] - [ -0.0011550300000000, 0.0002023400000000, 0.0018587200000000 ] - [ -0.0000574000000000, -0.0000744500000000, 0.0003133600000000 ] - [ -0.0003606200000000, -0.0008192700000000, -0.0023190900000000 ] - [ -0.0004751200000000, 0.0000055600000000, -0.0002809100000000 ] - [ -0.0015884500000000, -0.0001724000000000, 0.0012740900000000 ] - [ -0.0004006500000000, -0.0000695700000000, -0.0001210600000000 ] - [ -0.0000170100000000, 0.0001415800000000, 0.0004030700000000 ] - [ -0.0000598900000000, -0.0001443200000000, 0.0003898400000000 ] - [ 0.0018368300000000, 0.0001306200000000, -0.0026064800000000 ] - [ 0.0023077800000000, 0.0008143000000000, -0.0027735800000000 ] - [ -0.0001846200000000, 0.0000757000000000, 0.0015086600000000 ] - [ -0.0001439000000000, -0.0000385500000000, 0.0015305000000000 ] - [ 0.0007255100000000, -0.0001109400000000, -0.0001603600000000 ] - [ -0.0001969000000000, 0.0001080700000000, -0.0005335200000000 ]- atom: 3 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ 0.0007624300000000, 0.0000276300000000, 0.0000334400000000 ] - [ 0.0006750600000000, -0.0000665300000000, -0.0000725700000000 ] - [ -0.0216718900000000, -0.0032306800000000, -0.0108043300000000 ] - [ -0.0005814600000000, 0.0000249400000000, 0.0000326900000000 ] - [ -0.0009171200000000, -0.0000207900000000, -0.0004488800000000 ] - [ -0.0005667400000000, 0.0001293300000000, -0.0003303100000000 ] - [ 0.0048094900000000, -0.0003293300000000, 0.0012731300000000 ] - [ 0.0003837300000000, 0.0000862400000000, 0.0004711900000000 ] - [ 0.0001112000000000, 0.0000358700000000, 0.0006048900000000 ] - [ 0.0000029600000000, 0.0000261500000000, 0.0004087600000000 ] - [ -0.0001796800000000, -0.0004148500000000, -0.0002938900000000 ] - [ -0.0001794700000000, 0.0003336200000000, -0.0003458300000000 ] - [ -0.0001762600000000, 0.0000529100000000, -0.0000151200000000 ] - [ -0.0001127500000000, 0.0000458100000000, 0.0000680000000000 ] - [ 0.0005262400000000, -0.0003712900000000, -0.0000476900000000 ] - [ 0.0003960800000000, 0.0003621500000000, -0.0001108200000000 ] - [ -0.0012899800000000, 0.0003530100000000, 0.0033435600000000 ] - [ 0.0000521600000000, 0.0004756300000000, 0.0004427200000000 ] - [ 0.0019595900000000, -0.0007751400000000, -0.0022863000000000 ] - [ 0.0005230800000000, -0.0001453700000000, -0.0007328000000000 ] - [ 0.0021350300000000, -0.0035951600000000, -0.0006734600000000 ] - [ 0.0023340000000000, 0.0049664200000000, -0.0007261600000000 ] - [ -0.0003196500000000, -0.0006285700000000, 0.0003030700000000 ] - [ -0.0003070800000000, -0.0001371300000000, 0.0002462300000000 ] - [ -0.0001109500000000, 0.0000264400000000, 0.0007547600000000 ] - [ -0.0000695700000000, 0.0000519000000000, 0.0006636300000000 ] - [ 0.0002913000000000, -0.0001158700000000, -0.0004810900000000 ] - [ 0.0002471200000000, 0.0000669700000000, -0.0004589900000000 ] - [ 0.0034172600000000, 0.0059171100000000, 0.0000704400000000 ] - [ 0.0027946000000000, -0.0016047600000000, -0.0006222900000000 ] - [ -0.0026887200000000, -0.0001461200000000, 0.0034736400000000 ] - [ -0.0008721400000000, -0.0000534100000000, 0.0004050800000000 ] - [ -0.0044117500000000, 0.0078025500000000, 0.0014604100000000 ] - [ -0.0048719300000000, -0.0073390600000000, 0.0014054500000000 ] - [ 0.0067276900000000, -0.0011026700000000, 0.0114784700000000 ] - [ 0.0003330200000000, 0.0005018300000000, 0.0001937300000000 ] - [ 0.0028691400000000, 0.0001226300000000, -0.0041370000000000 ] - [ -0.0008634700000000, 0.0001148100000000, 0.0001356000000000 ] - [ 0.0016951600000000, 0.0003169900000000, -0.0003907600000000 ] - [ 0.0005113300000000, -0.0000090600000000, -0.0000377000000000 ] - [ -0.0006904600000000, 0.0000203200000000, 0.0005318600000000 ] - [ -0.0005692700000000, -0.0000881000000000, 0.0005222000000000 ] - [ 0.0007718400000000, -0.0004352800000000, -0.0012807000000000 ] - [ 0.0006643900000000, 0.0001344500000000, -0.0004102600000000 ] - [ -0.0018734600000000, 0.0021884100000000, -0.0023396500000000 ] - [ -0.0005605000000000, -0.0007128400000000, -0.0002367100000000 ] - [ 0.0003584900000000, 0.0000137200000000, -0.0000957500000000 ] - [ 0.0003702600000000, -0.0001090600000000, -0.0001055900000000 ] - [ 0.0011059500000000, 0.0001154300000000, 0.0014375100000000 ] - [ 0.0001333200000000, 0.0000087800000000, 0.0001589200000000 ] - [ -0.0013434000000000, -0.0023885900000000, 0.0013502500000000 ] - [ 0.0001527000000000, 0.0006476600000000, 0.0002121300000000 ] - [ -0.0005997600000000, -0.0003747700000000, -0.0003461100000000 ] - [ -0.0006278300000000, -0.0004329300000000, -0.0003092700000000 ] - [ 0.0021650700000000, 0.0010510200000000, -0.0011587800000000 ] - [ -0.0002382900000000, 0.0007006100000000, -0.0008239700000000 ] - [ 0.0012490400000000, -0.0000184700000000, 0.0002296000000000 ] - [ 0.0001134300000000, -0.0000692100000000, 0.0002729600000000 ] - [ -0.0010895700000000, 0.0004637100000000, 0.0007762700000000 ] - [ 0.0004348200000000, -0.0004495000000000, -0.0000613000000000 ] - [ -0.0007758400000000, 0.0000192100000000, 0.0013942800000000 ] - [ 0.0004663400000000, 0.0007005500000000, 0.0006646900000000 ] - [ -0.0003779800000000, -0.0023982900000000, 0.0018845500000000 ] - [ -0.0006128700000000, -0.0000687300000000, 0.0013769300000000 ] - [ -0.0010886200000000, 0.0000883900000000, -0.0007585300000000 ] - [ -0.0003949300000000, 0.0000827900000000, -0.0004899700000000 ] - [ 0.0008684900000000, -0.0000529900000000, -0.0004045400000000 ] - [ 0.0006540600000000, -0.0005477600000000, 0.0004521600000000 ] - [ -0.0006731400000000, 0.0000877900000000, 0.0000174300000000 ] - [ -0.0008761900000000, -0.0001538800000000, 0.0001860200000000 ] - [ 0.0003286600000000, 0.0002648500000000, 0.0002459000000000 ] - [ 0.0002588700000000, 0.0004299000000000, 0.0003963000000000 ] - [ -0.0004181200000000, -0.0004971500000000, -0.0007621600000000 ] - [ -0.0002169500000000, -0.0005690600000000, -0.0008541800000000 ] - [ -0.0021508700000000, -0.0009908400000000, -0.0005310400000000 ] - [ -0.0015591900000000, 0.0002121500000000, 0.0000687600000000 ] - [ 0.0030433000000000, 0.0003361800000000, 0.0006582200000000 ] - [ 0.0001582800000000, 0.0017189700000000, -0.0007721800000000 ] - [ 0.0006980000000000, 0.0000665500000000, -0.0004222900000000 ] - [ 0.0005890200000000, 0.0000111000000000, -0.0003143700000000 ] - [ 0.0042254500000000, -0.0000362500000000, 0.0003715100000000 ] - [ 0.0043513700000000, -0.0002062100000000, 0.0004937700000000 ] - [ -0.0000603500000000, -0.0000239300000000, 0.0000492300000000 ] - [ -0.0000559900000000, -0.0001156500000000, 0.0001016700000000 ] - [ 0.0000812500000000, -0.0015670600000000, -0.0000997000000000 ] - [ 0.0013918300000000, 0.0019195300000000, -0.0002040600000000 ] - [ -0.0001573200000000, -0.0000252700000000, -0.0004574500000000 ] - [ -0.0001938500000000, -0.0000635900000000, -0.0004200400000000 ] - [ -0.0024543300000000, -0.0001223500000000, -0.0026858300000000 ] - [ -0.0005013300000000, -0.0001876200000000, -0.0004339100000000 ] - [ -0.0006673600000000, -0.0000375800000000, 0.0016548000000000 ] - [ 0.0002414500000000, 0.0000487300000000, 0.0005004200000000 ] - [ 0.0023469200000000, -0.0000916300000000, -0.0028010100000000 ] - [ 0.0005169600000000, -0.0001453500000000, 0.0002210200000000 ] - [ -0.0000038400000000, -0.0018491000000000, -0.0006150600000000 ] - [ -0.0002749700000000, 0.0017431000000000, -0.0002878200000000 ]- atom: 3 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ -0.0006468900000000, -0.0000797100000000, -0.0007260900000000 ] - [ -0.0005596400000000, 0.0000186500000000, -0.0006196300000000 ] - [ 0.0213015100000000, 0.0031362000000000, 0.0109535900000000 ] - [ 0.0004435000000000, -0.0001068500000000, 0.0001505300000000 ] - [ 0.0010557800000000, 0.0001058600000000, 0.0002592100000000 ] - [ 0.0007046700000000, -0.0000509500000000, 0.0001411700000000 ] - [ -0.0049574900000000, 0.0002831200000000, -0.0005950900000000 ] - [ -0.0004940900000000, -0.0001363300000000, 0.0002193900000000 ] - [ -0.0002236000000000, 0.0000139800000000, 0.0000874300000000 ] - [ -0.0001153200000000, 0.0000235200000000, 0.0002832200000000 ] - [ 0.0003139400000000, 0.0003331800000000, 0.0001096800000000 ] - [ 0.0003137200000000, -0.0004152300000000, 0.0001618800000000 ] - [ 0.0000387500000000, 0.0000288300000000, 0.0002004400000000 ] - [ -0.0000246400000000, 0.0000360500000000, 0.0001174400000000 ] - [ -0.0004138500000000, 0.0004196900000000, -0.0006416600000000 ] - [ -0.0002846900000000, -0.0003120600000000, -0.0005792300000000 ] - [ 0.0018678200000000, 0.0004216800000000, -0.0035356100000000 ] - [ 0.0005083700000000, 0.0002983600000000, -0.0006442800000000 ] - [ -0.0013986000000000, 0.0000033600000000, 0.0020934300000000 ] - [ 0.0000378400000000, -0.0006297700000000, 0.0005287200000000 ] - [ -0.0026983200000000, 0.0043375500000000, 0.0008736000000000 ] - [ -0.0028908200000000, -0.0041555400000000, 0.0009271300000000 ] - [ -0.0002403400000000, -0.0001453800000000, -0.0000984400000000 ] - [ -0.0002526700000000, -0.0006367900000000, -0.0000416600000000 ] - [ -0.0001564000000000, -0.0000912600000000, -0.0002747300000000 ] - [ -0.0001977300000000, -0.0001180000000000, -0.0001840400000000 ] - [ 0.0005575700000000, 0.0000835600000000, -0.0002428600000000 ] - [ 0.0006014900000000, -0.0000973600000000, -0.0002661500000000 ] - [ -0.0036862100000000, -0.0058862000000000, 0.0004129700000000 ] - [ -0.0030421800000000, 0.0016799400000000, 0.0010913700000000 ] - [ 0.0018407300000000, 0.0001148200000000, -0.0027544900000000 ] - [ 0.0000236700000000, 0.0000215400000000, 0.0003220100000000 ] - [ 0.0053022500000000, -0.0077536500000000, -0.0021970700000000 ] - [ 0.0057633600000000, 0.0073543600000000, -0.0021316000000000 ] - [ -0.0063916100000000, 0.0010405300000000, -0.0118329600000000 ] - [ -0.0000677300000000, -0.0005667900000000, -0.0006687400000000 ] - [ -0.0037517600000000, -0.0000893100000000, 0.0048043800000000 ] - [ 0.0000091000000000, -0.0000832200000000, 0.0005895000000000 ] - [ -0.0014269000000000, -0.0002520600000000, -0.0000894200000000 ] - [ -0.0002432600000000, 0.0000741800000000, -0.0004379200000000 ] - [ -0.0003718700000000, 0.0000234500000000, 0.0002342000000000 ] - [ -0.0004927100000000, 0.0001307400000000, 0.0002451600000000 ] - [ 0.0002903600000000, 0.0004784300000000, 0.0005141100000000 ] - [ 0.0003980500000000, -0.0000918700000000, -0.0003574700000000 ] - [ 0.0007858900000000, -0.0021876100000000, 0.0025830000000000 ] - [ -0.0005412100000000, 0.0006934900000000, 0.0004913700000000 ] - [ 0.0000936000000000, -0.0001163600000000, -0.0002036400000000 ] - [ 0.0000807700000000, 0.0000062600000000, -0.0001935800000000 ] - [ -0.0015142900000000, -0.0000126000000000, -0.0011695700000000 ] - [ -0.0005811500000000, 0.0000939400000000, 0.0001396500000000 ] - [ 0.0023812600000000, 0.0023865700000000, -0.0015878600000000 ] - [ 0.0009467600000000, -0.0006300700000000, -0.0004657800000000 ] - [ -0.0004865400000000, -0.0005558800000000, -0.0005834100000000 ] - [ -0.0004586800000000, -0.0005000000000000, -0.0006215500000000 ] - [ -0.0021979200000000, 0.0000181600000000, -0.0002177900000000 ] - [ -0.0000776000000000, 0.0003136600000000, -0.0006711400000000 ] - [ -0.0017021300000000, -0.0000846600000000, 0.0000711300000000 ] - [ -0.0005653500000000, -0.0000337400000000, 0.0000262400000000 ] - [ 0.0021535500000000, -0.0005047800000000, -0.0015226000000000 ] - [ 0.0006285500000000, 0.0004043800000000, -0.0007043800000000 ] - [ 0.0018661600000000, 0.0009116500000000, -0.0004475900000000 ] - [ 0.0006216500000000, 0.0002331000000000, 0.0002666100000000 ] - [ 0.0006954300000000, 0.0013933600000000, -0.0003931500000000 ] - [ 0.0009276200000000, -0.0009498400000000, 0.0001179800000000 ] - [ 0.0008651300000000, 0.0000447200000000, 0.0001931200000000 ] - [ 0.0001714400000000, 0.0000505700000000, -0.0000794900000000 ] - [ 0.0002183900000000, -0.0008799000000000, 0.0013340500000000 ] - [ 0.0004326400000000, -0.0003836600000000, 0.0004767400000000 ] - [ -0.0004311300000000, -0.0000697100000000, 0.0002391800000000 ] - [ -0.0002280800000000, 0.0001697700000000, 0.0000724700000000 ] - [ -0.0000110300000000, 0.0007452300000000, 0.0012448000000000 ] - [ 0.0000586500000000, 0.0005824700000000, 0.0010969300000000 ] - [ 0.0001007900000000, -0.0005147700000000, -0.0007320500000000 ] - [ -0.0001008800000000, -0.0004432700000000, -0.0006403700000000 ] - [ 0.0023687500000000, 0.0011317100000000, 0.0010984500000000 ] - [ 0.0017734600000000, -0.0000843500000000, 0.0004981000000000 ] - [ -0.0042174600000000, 0.0004946700000000, -0.0016812400000000 ] - [ -0.0012495800000000, -0.0007824900000000, -0.0001574900000000 ] - [ 0.0004059600000000, -0.0000823100000000, 0.0001632800000000 ] - [ 0.0005154700000000, -0.0000289800000000, 0.0000571700000000 ] - [ -0.0037735300000000, 0.0001217900000000, -0.0006766000000000 ] - [ -0.0038969600000000, 0.0003264700000000, -0.0007990300000000 ] - [ 0.0002806900000000, -0.0001091300000000, 0.0005175400000000 ] - [ 0.0002768200000000, -0.0000174400000000, 0.0004656400000000 ] - [ -0.0011484400000000, 0.0015175700000000, 0.0008676200000000 ] - [ -0.0025035400000000, -0.0019201500000000, 0.0009297000000000 ] - [ -0.0004258800000000, -0.0001218600000000, -0.0002951900000000 ] - [ -0.0003898700000000, -0.0000842000000000, -0.0003326800000000 ] - [ 0.0022323100000000, -0.0000131100000000, 0.0021140100000000 ] - [ 0.0002790500000000, 0.0000544200000000, -0.0001354600000000 ] - [ 0.0012602500000000, 0.0001855200000000, -0.0008999600000000 ] - [ 0.0003433500000000, 0.0000988900000000, 0.0002509900000000 ] - [ -0.0017366700000000, -0.0000578000000000, 0.0035495000000000 ] - [ 0.0000683900000000, -0.0000024300000000, 0.0005291500000000 ] - [ -0.0006002800000000, 0.0020046600000000, -0.0001280700000000 ] - [ -0.0003377500000000, -0.0015752300000000, -0.0004562200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005163700000000, 0.0000710700000000, 0.0002168700000000 ] - [ -0.0003888800000000, 0.0001102900000000, -0.0008593800000000 ] - [ -0.0031108600000000, -0.0216944800000000, -0.0018030400000000 ] - [ -0.0000027000000000, 0.0020071800000000, 0.0000891300000000 ] - [ 0.0000122000000000, 0.0005519100000000, -0.0016993200000000 ] - [ 0.0001534200000000, 0.0006570000000000, 0.0012638700000000 ] - [ -0.0000941800000000, -0.0018110600000000, 0.0004076300000000 ] - [ -0.0000293600000000, 0.0010925500000000, 0.0002870400000000 ] - [ -0.0000344800000000, -0.0001442400000000, 0.0003317300000000 ] - [ -0.0000536200000000, 0.0001930500000000, 0.0003638600000000 ] - [ -0.0003080400000000, 0.0000612900000000, 0.0006679400000000 ] - [ 0.0004466400000000, 0.0000585100000000, -0.0008658100000000 ] - [ -0.0000804700000000, -0.0001214000000000, 0.0000857800000000 ] - [ -0.0000736700000000, 0.0002032600000000, 0.0001030200000000 ] - [ 0.0000698400000000, 0.0001325800000000, -0.0006943800000000 ] - [ 0.0000468400000000, 0.0000171900000000, -0.0000706100000000 ] - [ 0.0003183400000000, -0.0029954200000000, 0.0001979600000000 ] - [ 0.0002658100000000, 0.0022373100000000, -0.0001706500000000 ] - [ 0.0001465000000000, -0.0020654700000000, -0.0002942800000000 ] - [ 0.0003052000000000, 0.0009108800000000, -0.0000230400000000 ] - [ -0.0039211100000000, 0.0027127200000000, 0.0002331000000000 ] - [ 0.0038528300000000, 0.0026104900000000, -0.0000019900000000 ] - [ -0.0002896900000000, -0.0004718000000000, 0.0000681100000000 ] - [ -0.0002769400000000, -0.0002968400000000, 0.0001625400000000 ] - [ -0.0001613700000000, 0.0004344000000000, 0.0007735900000000 ] - [ -0.0000858200000000, -0.0004566100000000, -0.0003091800000000 ] - [ 0.0004765800000000, -0.0000038000000000, -0.0004241300000000 ] - [ 0.0003232900000000, -0.0000199900000000, -0.0003334200000000 ] - [ 0.0048085000000000, 0.0006821200000000, -0.0027638700000000 ] - [ -0.0048851500000000, 0.0028795300000000, 0.0036500200000000 ] - [ -0.0006231600000000, -0.0009126900000000, 0.0010893800000000 ] - [ -0.0004681800000000, 0.0007409500000000, 0.0003522600000000 ] - [ 0.0081357900000000, 0.0115278300000000, 0.0061517900000000 ] - [ -0.0074480400000000, 0.0116287500000000, -0.0075400100000000 ] - [ -0.0004530300000000, -0.0074503300000000, 0.0003189000000000 ] - [ 0.0002022200000000, 0.0023490900000000, -0.0004783200000000 ] - [ -0.0003907300000000, -0.0033494200000000, 0.0005658300000000 ] - [ -0.0004351800000000, 0.0021247800000000, 0.0001821000000000 ] - [ 0.0000453300000000, -0.0005085800000000, -0.0002753400000000 ] - [ 0.0001867600000000, 0.0005581800000000, -0.0002091500000000 ] - [ -0.0005384800000000, 0.0001844300000000, 0.0004650600000000 ] - [ -0.0005154500000000, -0.0001476000000000, 0.0003379900000000 ] - [ 0.0005560200000000, 0.0002971300000000, -0.0005396100000000 ] - [ 0.0005056700000000, -0.0003475600000000, -0.0003557900000000 ] - [ 0.0015665200000000, 0.0026418700000000, 0.0018067300000000 ] - [ -0.0009665500000000, -0.0016353100000000, -0.0004621400000000 ] - [ 0.0002253300000000, -0.0000345300000000, -0.0000316100000000 ] - [ 0.0002613100000000, -0.0000669700000000, -0.0002519000000000 ] - [ -0.0001759800000000, 0.0022770200000000, 0.0001487800000000 ] - [ -0.0002224400000000, -0.0009921000000000, 0.0001867800000000 ] - [ -0.0009482400000000, 0.0015610400000000, 0.0011258200000000 ] - [ 0.0011785900000000, -0.0021307000000000, -0.0011482000000000 ] - [ -0.0005366600000000, -0.0006387600000000, -0.0004194500000000 ] - [ -0.0005306800000000, -0.0002751800000000, -0.0004723300000000 ] - [ -0.0000554200000000, 0.0040119500000000, -0.0018373500000000 ] - [ -0.0001228800000000, -0.0009316100000000, -0.0001222700000000 ] - [ -0.0000716400000000, 0.0004685600000000, 0.0000167800000000 ] - [ -0.0002200100000000, -0.0004404400000000, 0.0001544200000000 ] - [ 0.0008278700000000, 0.0014899100000000, -0.0013635100000000 ] - [ 0.0005225000000000, -0.0012775600000000, 0.0002112100000000 ] - [ 0.0003354400000000, 0.0019585400000000, 0.0012999100000000 ] - [ 0.0005569500000000, -0.0007737300000000, -0.0000177900000000 ] - [ -0.0005068900000000, -0.0014366800000000, 0.0021832100000000 ] - [ 0.0011259700000000, -0.0002902900000000, -0.0006817100000000 ] - [ -0.0000976400000000, 0.0005572900000000, -0.0002515400000000 ] - [ -0.0001234900000000, -0.0003310900000000, -0.0003037500000000 ] - [ 0.0004794300000000, 0.0002030700000000, 0.0003391500000000 ] - [ 0.0005660800000000, -0.0008932800000000, 0.0004097700000000 ] - [ -0.0005236500000000, -0.0003148600000000, 0.0000301200000000 ] - [ -0.0005866400000000, 0.0003353600000000, 0.0002203400000000 ] - [ 0.0001637500000000, 0.0005551200000000, 0.0001587000000000 ] - [ 0.0001575900000000, 0.0003828600000000, 0.0012788200000000 ] - [ -0.0001502900000000, -0.0002831100000000, -0.0006607600000000 ] - [ -0.0001573700000000, -0.0007320100000000, -0.0008393100000000 ] - [ -0.0010282200000000, -0.0000523700000000, 0.0002522300000000 ] - [ 0.0013258900000000, -0.0003627200000000, 0.0001510800000000 ] - [ -0.0002218500000000, 0.0036905800000000, -0.0003229000000000 ] - [ 0.0009793500000000, -0.0024366600000000, 0.0010061100000000 ] - [ 0.0005740200000000, 0.0003149700000000, -0.0001185700000000 ] - [ 0.0005353000000000, -0.0003178900000000, -0.0001560800000000 ] - [ 0.0001104900000000, -0.0029202700000000, -0.0017994100000000 ] - [ 0.0004128500000000, -0.0024290700000000, 0.0015662000000000 ] - [ 0.0000040200000000, -0.0001332900000000, 0.0001154800000000 ] - [ 0.0001887300000000, -0.0000071000000000, 0.0004345900000000 ] - [ -0.0020665400000000, -0.0027921600000000, -0.0011658800000000 ] - [ 0.0010007300000000, 0.0018291900000000, 0.0021902800000000 ] - [ -0.0002485000000000, -0.0001078900000000, -0.0005200700000000 ] - [ -0.0003280400000000, -0.0000392500000000, -0.0002252900000000 ] - [ -0.0001482400000000, 0.0012590900000000, -0.0004465100000000 ] - [ -0.0002257900000000, -0.0007051300000000, -0.0003570700000000 ] - [ 0.0004048100000000, 0.0005019300000000, 0.0002586100000000 ] - [ 0.0001997700000000, -0.0002928000000000, 0.0004544700000000 ] - [ -0.0000681300000000, 0.0015806900000000, -0.0001344200000000 ] - [ 0.0004975300000000, -0.0006804400000000, 0.0003698400000000 ] - [ -0.0033863600000000, -0.0016380700000000, 0.0005459300000000 ] - [ 0.0028117300000000, -0.0014628600000000, -0.0014597500000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004052100000000, -0.0001185700000000, -0.0009092500000000 ] - [ 0.0005000900000000, -0.0001621300000000, 0.0001661300000000 ] - [ 0.0032366000000000, 0.0215541200000000, 0.0023026300000000 ] - [ -0.0001347000000000, -0.0020892200000000, 0.0000959300000000 ] - [ 0.0001261700000000, -0.0004656900000000, 0.0015217300000000 ] - [ -0.0000153200000000, -0.0005770500000000, -0.0014408000000000 ] - [ -0.0000105600000000, 0.0017595100000000, 0.0002877900000000 ] - [ -0.0000841100000000, -0.0011420500000000, 0.0004039800000000 ] - [ -0.0000785200000000, 0.0001939300000000, 0.0003586100000000 ] - [ -0.0000584100000000, -0.0001432400000000, 0.0003279400000000 ] - [ 0.0004475100000000, -0.0001402500000000, -0.0008563900000000 ] - [ -0.0003071700000000, -0.0001429900000000, 0.0006775500000000 ] - [ -0.0000568100000000, 0.0002030300000000, 0.0000994000000000 ] - [ -0.0000643300000000, -0.0001212200000000, 0.0000822400000000 ] - [ 0.0000417600000000, -0.0000798600000000, 0.0000024800000000 ] - [ 0.0000641800000000, 0.0000288600000000, -0.0006201300000000 ] - [ 0.0002526100000000, 0.0037698200000000, -0.0003836700000000 ] - [ 0.0002941400000000, -0.0014638000000000, -0.0000399500000000 ] - [ 0.0004169700000000, 0.0012873700000000, 0.0000842300000000 ] - [ 0.0002546400000000, -0.0016837400000000, -0.0001778500000000 ] - [ 0.0033898400000000, -0.0019380200000000, -0.0000267200000000 ] - [ -0.0043797600000000, -0.0018380400000000, 0.0002066400000000 ] - [ -0.0002706800000000, -0.0002985100000000, 0.0001355100000000 ] - [ -0.0002832300000000, -0.0004807400000000, 0.0000419400000000 ] - [ -0.0001046700000000, -0.0004964100000000, -0.0002985600000000 ] - [ -0.0001801100000000, 0.0003868600000000, 0.0007830100000000 ] - [ 0.0003715400000000, -0.0000240200000000, -0.0003023800000000 ] - [ 0.0005247600000000, -0.0000148600000000, -0.0003923200000000 ] - [ -0.0051157200000000, -0.0005790700000000, 0.0032685200000000 ] - [ 0.0045958500000000, -0.0028076600000000, -0.0031602100000000 ] - [ -0.0002201200000000, 0.0008822100000000, -0.0003905600000000 ] - [ -0.0003795500000000, -0.0007716800000000, 0.0003792000000000 ] - [ -0.0073881800000000, -0.0116341600000000, -0.0069989400000000 ] - [ 0.0081956600000000, -0.0114492100000000, 0.0066939500000000 ] - [ 0.0006726000000000, 0.0074099500000000, -0.0008365600000000 ] - [ 0.0000645300000000, -0.0024102900000000, 0.0000082800000000 ] - [ -0.0004891100000000, 0.0033792800000000, 0.0001731900000000 ] - [ -0.0004104500000000, -0.0020926400000000, 0.0005395400000000 ] - [ 0.0002173000000000, 0.0005702500000000, -0.0001989400000000 ] - [ 0.0000794400000000, -0.0004911400000000, -0.0002706600000000 ] - [ -0.0005229600000000, -0.0001439200000000, 0.0003040000000000 ] - [ -0.0005465500000000, 0.0001920700000000, 0.0004287800000000 ] - [ 0.0005065600000000, -0.0002482600000000, -0.0002203300000000 ] - [ 0.0005557500000000, 0.0003881400000000, -0.0004132300000000 ] - [ -0.0026611100000000, -0.0026866500000000, -0.0015459800000000 ] - [ -0.0001405900000000, 0.0016145700000000, 0.0007146300000000 ] - [ 0.0002266000000000, -0.0000698700000000, -0.0002676800000000 ] - [ 0.0001892400000000, -0.0000343800000000, -0.0000478000000000 ] - [ -0.0002704200000000, -0.0021736700000000, 0.0001442700000000 ] - [ -0.0002300900000000, 0.0010948700000000, 0.0001147000000000 ] - [ 0.0020382000000000, -0.0015753500000000, -0.0013824700000000 ] - [ -0.0000709000000000, 0.0021449500000000, 0.0008882700000000 ] - [ -0.0005489400000000, -0.0002935400000000, -0.0005096600000000 ] - [ -0.0005549900000000, -0.0006534300000000, -0.0004560100000000 ] - [ -0.0002440100000000, -0.0029952000000000, 0.0003499900000000 ] - [ -0.0001960900000000, 0.0019440400000000, -0.0013748600000000 ] - [ -0.0003831500000000, -0.0005707600000000, 0.0002888800000000 ] - [ -0.0002313800000000, 0.0003369400000000, 0.0001431600000000 ] - [ 0.0002387400000000, -0.0015411000000000, 0.0005956800000000 ] - [ 0.0005383500000000, 0.0012341100000000, -0.0009770100000000 ] - [ 0.0007542100000000, -0.0010188800000000, -0.0003699400000000 ] - [ 0.0005276300000000, 0.0017043900000000, 0.0009485900000000 ] - [ 0.0008298900000000, 0.0004162500000000, -0.0006942000000000 ] - [ -0.0008032100000000, -0.0007155200000000, 0.0021677700000000 ] - [ -0.0001229200000000, -0.0004231300000000, -0.0003166100000000 ] - [ -0.0000979400000000, 0.0004638700000000, -0.0002632500000000 ] - [ 0.0006067300000000, -0.0011391500000000, 0.0005953200000000 ] - [ 0.0005195300000000, -0.0000368200000000, 0.0005169200000000 ] - [ -0.0005805200000000, 0.0003304000000000, 0.0002282800000000 ] - [ -0.0005169500000000, -0.0003166300000000, 0.0000367200000000 ] - [ 0.0001542900000000, 0.0004537600000000, 0.0013350300000000 ] - [ 0.0001600600000000, 0.0006321200000000, 0.0002192000000000 ] - [ -0.0001666200000000, -0.0007294500000000, -0.0008347500000000 ] - [ -0.0001603100000000, -0.0002793100000000, -0.0006534300000000 ] - [ 0.0012543800000000, 0.0001764000000000, 0.0003124800000000 ] - [ -0.0010964000000000, 0.0004977900000000, 0.0004182600000000 ] - [ -0.0009258400000000, -0.0028483700000000, -0.0006722900000000 ] - [ -0.0020604500000000, 0.0033666500000000, -0.0019262500000000 ] - [ 0.0005295600000000, -0.0003280700000000, -0.0001393600000000 ] - [ 0.0005691300000000, 0.0002981800000000, -0.0000986000000000 ] - [ 0.0003334200000000, 0.0029609900000000, 0.0014878400000000 ] - [ 0.0000316100000000, 0.0026142800000000, -0.0018852200000000 ] - [ 0.0002175300000000, -0.0000010200000000, 0.0004533700000000 ] - [ 0.0000331800000000, -0.0001247800000000, 0.0001345500000000 ] - [ 0.0010099800000000, 0.0027484800000000, 0.0019419600000000 ] - [ -0.0020763100000000, -0.0018082700000000, -0.0014412500000000 ] - [ -0.0003347800000000, -0.0000400900000000, -0.0002292500000000 ] - [ -0.0002550300000000, -0.0001069400000000, -0.0005248400000000 ] - [ -0.0000661900000000, -0.0013957500000000, -0.0001145500000000 ] - [ 0.0000012700000000, 0.0005701000000000, -0.0002153300000000 ] - [ 0.0001860200000000, -0.0003535700000000, 0.0004866600000000 ] - [ 0.0003817000000000, 0.0004395200000000, 0.0002989400000000 ] - [ 0.0006544800000000, -0.0017290800000000, 0.0009039300000000 ] - [ 0.0000859500000000, 0.0005331000000000, 0.0003761400000000 ] - [ 0.0028315200000000, 0.0017872200000000, -0.0013056000000000 ] - [ -0.0034103100000000, 0.0016688600000000, 0.0007089100000000 ]- atom: 3 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ 0.0000889400000000, 0.0003802100000000, -0.0002908100000000 ] - [ 0.0000950500000000, -0.0004070400000000, -0.0002876800000000 ] - [ -0.0046981000000000, -0.0011484900000000, -0.0143409300000000 ] - [ 0.0000144600000000, -0.0000620100000000, -0.0005857900000000 ] - [ -0.0000107500000000, -0.0015009100000000, 0.0010779400000000 ] - [ 0.0000104600000000, 0.0013250400000000, 0.0006277600000000 ] - [ -0.0005327100000000, 0.0001313200000000, -0.0015643500000000 ] - [ -0.0000432500000000, -0.0000870800000000, -0.0001585900000000 ] - [ 0.0001212900000000, 0.0000681100000000, 0.0011118700000000 ] - [ -0.0000181200000000, 0.0000214000000000, 0.0007038300000000 ] - [ -0.0001113500000000, 0.0008006900000000, 0.0005444700000000 ] - [ -0.0000614600000000, -0.0008736000000000, 0.0005586700000000 ] - [ -0.0001480200000000, 0.0000443500000000, 0.0010346900000000 ] - [ -0.0000824400000000, 0.0000298700000000, 0.0004916000000000 ] - [ 0.0002066300000000, -0.0003651300000000, 0.0000387700000000 ] - [ 0.0002302000000000, 0.0004098900000000, -0.0001155100000000 ] - [ 0.0037431700000000, 0.0005898300000000, 0.0060712900000000 ] - [ 0.0003836600000000, 0.0003658500000000, 0.0002525700000000 ] - [ -0.0014482000000000, 0.0000719900000000, 0.0020699300000000 ] - [ 0.0001313900000000, -0.0006407100000000, 0.0001958300000000 ] - [ -0.0015662400000000, 0.0014133400000000, -0.0029249400000000 ] - [ -0.0014550100000000, -0.0004564200000000, -0.0026987700000000 ] - [ -0.0002176700000000, -0.0004988200000000, 0.0015411700000000 ] - [ -0.0002333700000000, -0.0001509600000000, 0.0014864000000000 ] - [ -0.0003365100000000, 0.0003818100000000, 0.0022472600000000 ] - [ -0.0001227200000000, -0.0009371900000000, 0.0018755400000000 ] - [ 0.0001786600000000, -0.0004441900000000, 0.0012522700000000 ] - [ 0.0001894600000000, 0.0004043900000000, 0.0010716700000000 ] - [ -0.0014658800000000, -0.0058451500000000, -0.0026393900000000 ] - [ -0.0011440800000000, 0.0015370400000000, -0.0015946400000000 ] - [ -0.0000019600000000, -0.0000921000000000, 0.0061038200000000 ] - [ -0.0001980600000000, -0.0001126500000000, 0.0004784900000000 ] - [ 0.0038216700000000, 0.0055341100000000, -0.0052562600000000 ] - [ 0.0038820100000000, -0.0054031000000000, -0.0062048900000000 ] - [ 0.0084001600000000, 0.0000838700000000, -0.0012304900000000 ] - [ 0.0002026100000000, 0.0001232800000000, -0.0010374300000000 ] - [ -0.0094037100000000, -0.0000119400000000, 0.0032346700000000 ] - [ -0.0007943300000000, -0.0000176900000000, 0.0005297100000000 ] - [ -0.0008593100000000, -0.0005538000000000, 0.0023359700000000 ] - [ 0.0000586000000000, 0.0001353300000000, 0.0005818900000000 ] - [ -0.0005415800000000, 0.0005446700000000, -0.0004888000000000 ] - [ -0.0005211700000000, 0.0000400800000000, -0.0000906200000000 ] - [ 0.0000758800000000, -0.0010788200000000, -0.0022005300000000 ] - [ 0.0004414400000000, 0.0001404200000000, -0.0007295600000000 ] - [ -0.0025720300000000, 0.0011411100000000, 0.0011390000000000 ] - [ -0.0007037400000000, -0.0001955200000000, 0.0007020000000000 ] - [ 0.0003728700000000, 0.0001132900000000, -0.0007790000000000 ] - [ 0.0003590300000000, -0.0002112500000000, -0.0007047900000000 ] - [ 0.0022752300000000, 0.0000429500000000, -0.0003092100000000 ] - [ -0.0000500300000000, 0.0000635800000000, 0.0001158300000000 ] - [ 0.0026841000000000, 0.0028418500000000, 0.0010561900000000 ] - [ 0.0006158900000000, -0.0004093200000000, 0.0003462000000000 ] - [ -0.0005254800000000, -0.0004019000000000, -0.0009627000000000 ] - [ -0.0005178100000000, -0.0009541900000000, -0.0012669400000000 ] - [ -0.0015218900000000, -0.0006443600000000, 0.0023189900000000 ] - [ -0.0001074100000000, 0.0002351800000000, -0.0000339800000000 ] - [ -0.0002116100000000, -0.0001470900000000, -0.0017980800000000 ] - [ -0.0003134700000000, 0.0000136200000000, -0.0000264900000000 ] - [ 0.0028908500000000, -0.0012649800000000, 0.0001075800000000 ] - [ 0.0006835500000000, 0.0001260400000000, -0.0001490300000000 ] - [ 0.0027019200000000, 0.0017006100000000, 0.0008799300000000 ] - [ 0.0007246900000000, 0.0003592000000000, 0.0006966200000000 ] - [ 0.0004000400000000, 0.0010213300000000, 0.0007695500000000 ] - [ 0.0007469400000000, -0.0018203700000000, 0.0014651800000000 ] - [ -0.0004793600000000, 0.0002211000000000, -0.0010592700000000 ] - [ -0.0002536200000000, 0.0000771000000000, -0.0005662500000000 ] - [ 0.0000994100000000, 0.0005623600000000, -0.0012212000000000 ] - [ 0.0004192300000000, -0.0005140600000000, 0.0001680500000000 ] - [ -0.0004867100000000, -0.0000219400000000, -0.0003761500000000 ] - [ -0.0003878200000000, 0.0006051300000000, -0.0008294000000000 ] - [ 0.0000811900000000, -0.0004978600000000, -0.0005632500000000 ] - [ 0.0000943800000000, 0.0006258500000000, 0.0000351900000000 ] - [ 0.0000560700000000, -0.0009548400000000, -0.0022807800000000 ] - [ -0.0001464800000000, -0.0007486800000000, -0.0013286300000000 ] - [ 0.0012801400000000, 0.0011821200000000, 0.0022018300000000 ] - [ 0.0008904800000000, -0.0000008600000000, 0.0014058500000000 ] - [ -0.0001576400000000, 0.0002461100000000, 0.0030811700000000 ] - [ -0.0010948400000000, 0.0014645100000000, 0.0003941600000000 ] - [ 0.0004480700000000, 0.0007856100000000, -0.0013380300000000 ] - [ 0.0005768100000000, -0.0001267600000000, -0.0006990500000000 ] - [ -0.0002781500000000, -0.0018562900000000, 0.0015863600000000 ] - [ -0.0003476700000000, 0.0017410300000000, 0.0017639700000000 ] - [ -0.0001966800000000, -0.0000535400000000, -0.0005508700000000 ] - [ -0.0002635100000000, 0.0001152300000000, -0.0004997800000000 ] - [ -0.0010916300000000, -0.0010219100000000, 0.0009195000000000 ] - [ -0.0014553000000000, 0.0018007100000000, 0.0027026100000000 ] - [ 0.0001874000000000, -0.0000374800000000, -0.0016395200000000 ] - [ 0.0001923500000000, 0.0000795600000000, -0.0015261600000000 ] - [ -0.0011797400000000, -0.0003031000000000, -0.0003282400000000 ] - [ 0.0000193100000000, -0.0000410000000000, -0.0000903900000000 ] - [ 0.0024537800000000, 0.0002572400000000, -0.0018911700000000 ] - [ 0.0005094900000000, 0.0001482600000000, 0.0000601700000000 ] - [ -0.0015616900000000, 0.0003312000000000, -0.0011608400000000 ] - [ 0.0001075200000000, 0.0000545100000000, 0.0005522600000000 ] - [ -0.0013267600000000, 0.0010947200000000, 0.0032804600000000 ] - [ -0.0008993700000000, -0.0007128800000000, 0.0031524800000000 ]- atom: 3 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ 0.0000259300000000, -0.0004314500000000, -0.0003974500000000 ] - [ 0.0000198600000000, 0.0003586700000000, -0.0004007200000000 ] - [ 0.0045749700000000, 0.0010973700000000, 0.0147026100000000 ] - [ -0.0001532500000000, -0.0000200300000000, 0.0007700900000000 ] - [ 0.0001500000000000, 0.0015706800000000, -0.0012597500000000 ] - [ 0.0001284900000000, -0.0012347500000000, -0.0008125600000000 ] - [ 0.0004336100000000, -0.0001806600000000, 0.0022584900000000 ] - [ -0.0000673800000000, 0.0000372200000000, 0.0008501800000000 ] - [ -0.0002329600000000, -0.0000185200000000, -0.0004214100000000 ] - [ -0.0000941600000000, 0.0000284700000000, -0.0000130700000000 ] - [ 0.0002501600000000, -0.0008886400000000, -0.0007303800000000 ] - [ 0.0001997100000000, 0.0007977800000000, -0.0007441800000000 ] - [ 0.0000093300000000, 0.0000375200000000, -0.0008487900000000 ] - [ -0.0000553900000000, 0.0000521900000000, -0.0003058400000000 ] - [ -0.0000943200000000, 0.0004148000000000, -0.0007322700000000 ] - [ -0.0001181900000000, -0.0003598900000000, -0.0005776000000000 ] - [ -0.0032264000000000, 0.0001837300000000, -0.0063219100000000 ] - [ 0.0001768000000000, 0.0004080500000000, -0.0004502800000000 ] - [ 0.0019871300000000, -0.0008453700000000, -0.0022676200000000 ] - [ 0.0004285900000000, -0.0001328200000000, -0.0004047000000000 ] - [ 0.0009919600000000, -0.0006321900000000, 0.0031402300000000 ] - [ 0.0008796600000000, 0.0012199800000000, 0.0029160400000000 ] - [ -0.0003427900000000, -0.0002775800000000, -0.0013352300000000 ] - [ -0.0003270800000000, -0.0006200500000000, -0.0012806800000000 ] - [ 0.0000718100000000, -0.0004505900000000, -0.0017723900000000 ] - [ -0.0001437900000000, 0.0008792700000000, -0.0013973800000000 ] - [ 0.0006675500000000, 0.0004100300000000, -0.0019781500000000 ] - [ 0.0006573700000000, -0.0004330500000000, -0.0017981000000000 ] - [ 0.0012027100000000, 0.0058982600000000, 0.0031021000000000 ] - [ 0.0008938100000000, -0.0014695100000000, 0.0020466800000000 ] - [ -0.0008199300000000, 0.0000627600000000, -0.0053640600000000 ] - [ -0.0006493300000000, 0.0000813600000000, 0.0002416300000000 ] - [ -0.0029669000000000, -0.0054676400000000, 0.0045526600000000 ] - [ -0.0030226600000000, 0.0054032000000000, 0.0055088400000000 ] - [ -0.0080921500000000, -0.0001535700000000, 0.0006922000000000 ] - [ 0.0000629600000000, -0.0001895800000000, 0.0005557300000000 ] - [ 0.0086112900000000, 0.0000426100000000, -0.0025477000000000 ] - [ -0.0000562900000000, 0.0000485600000000, 0.0001998300000000 ] - [ 0.0011290900000000, 0.0006207700000000, -0.0028144400000000 ] - [ 0.0002067200000000, -0.0000719000000000, -0.0010535800000000 ] - [ -0.0005187600000000, -0.0005011800000000, 0.0012570300000000 ] - [ -0.0005396100000000, -0.0000000300000000, 0.0008603700000000 ] - [ 0.0009805800000000, 0.0011179100000000, 0.0014316900000000 ] - [ 0.0006199200000000, -0.0000973700000000, -0.0000365900000000 ] - [ 0.0014700400000000, -0.0011586700000000, -0.0008584400000000 ] - [ -0.0003996900000000, 0.0001796400000000, -0.0004421000000000 ] - [ 0.0000797600000000, -0.0002147700000000, 0.0004789600000000 ] - [ 0.0000922300000000, 0.0001070800000000, 0.0004049700000000 ] - [ -0.0026476000000000, 0.0000588900000000, 0.0004412200000000 ] - [ -0.0003986400000000, 0.0000393600000000, 0.0001813000000000 ] - [ -0.0016180800000000, -0.0028389800000000, -0.0012771200000000 ] - [ 0.0004846200000000, 0.0004291500000000, -0.0005964800000000 ] - [ -0.0005593400000000, -0.0005264200000000, 0.0000356100000000 ] - [ -0.0005672900000000, 0.0000217000000000, 0.0003379100000000 ] - [ 0.0011983200000000, 0.0016496900000000, -0.0037960400000000 ] - [ -0.0002093600000000, 0.0007755100000000, -0.0014581600000000 ] - [ -0.0002456900000000, 0.0000432200000000, 0.0020830900000000 ] - [ -0.0001370300000000, -0.0001165600000000, 0.0003275000000000 ] - [ -0.0018470400000000, 0.0012326700000000, -0.0008816000000000 ] - [ 0.0003785300000000, -0.0001669800000000, -0.0006223000000000 ] - [ -0.0016325600000000, -0.0007795500000000, 0.0000448900000000 ] - [ 0.0003616600000000, 0.0005719700000000, 0.0002302800000000 ] - [ -0.0000812100000000, -0.0020329400000000, 0.0007294800000000 ] - [ -0.0004262900000000, 0.0007989900000000, 0.0000385700000000 ] - [ 0.0002593700000000, -0.0000883600000000, 0.0004899600000000 ] - [ 0.0000300100000000, 0.0000566700000000, -0.0000049400000000 ] - [ 0.0009807900000000, -0.0014894700000000, 0.0021480900000000 ] - [ 0.0006664200000000, -0.0004181400000000, 0.0007623400000000 ] - [ -0.0006175300000000, 0.0000411500000000, 0.0006314100000000 ] - [ -0.0007169900000000, -0.0005907000000000, 0.0010874100000000 ] - [ 0.0002374000000000, 0.0015139200000000, 0.0020580400000000 ] - [ 0.0002238500000000, 0.0003830800000000, 0.0014566800000000 ] - [ -0.0003741600000000, -0.0000570800000000, 0.0007855300000000 ] - [ -0.0001709700000000, -0.0002640600000000, -0.0001674800000000 ] - [ -0.0010585300000000, -0.0010457400000000, -0.0016310700000000 ] - [ -0.0006703700000000, 0.0001351600000000, -0.0008338600000000 ] - [ -0.0009721400000000, 0.0006388400000000, -0.0040432000000000 ] - [ 0.0000046700000000, -0.0005272800000000, -0.0013254100000000 ] - [ 0.0006563300000000, -0.0008070100000000, 0.0010835900000000 ] - [ 0.0005269700000000, 0.0001118200000000, 0.0004416600000000 ] - [ 0.0007324400000000, 0.0019414400000000, -0.0019040700000000 ] - [ 0.0007989300000000, -0.0016161900000000, -0.0020843100000000 ] - [ 0.0004174400000000, -0.0000786700000000, 0.0011192200000000 ] - [ 0.0004851500000000, -0.0002502600000000, 0.0010677800000000 ] - [ 0.0000269600000000, 0.0009711000000000, -0.0001542000000000 ] - [ 0.0003710300000000, -0.0018142700000000, -0.0019739700000000 ] - [ -0.0007681900000000, -0.0001071000000000, 0.0008905800000000 ] - [ -0.0007741700000000, -0.0002273000000000, 0.0007766100000000 ] - [ 0.0009584700000000, 0.0001713800000000, -0.0002271800000000 ] - [ -0.0002409700000000, -0.0000922000000000, -0.0004760400000000 ] - [ -0.0018732300000000, -0.0001108800000000, 0.0026436000000000 ] - [ 0.0000733000000000, -0.0000021300000000, 0.0006858500000000 ] - [ 0.0021474300000000, -0.0004691200000000, 0.0019865700000000 ] - [ 0.0004718900000000, -0.0001996900000000, 0.0002013900000000 ] - [ 0.0007324300000000, -0.0009497000000000, -0.0040202700000000 ] - [ 0.0003020100000000, 0.0008730000000000, -0.0038914300000000 ]- atom: 17 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ 0.0032038500000000, 0.0049145900000000, -0.0013425500000000 ] - [ 0.0018217200000000, -0.0035989400000000, -0.0014064800000000 ] - [ -0.0016602200000000, -0.0000077600000000, 0.0032911500000000 ] - [ -0.0002965100000000, -0.0000546200000000, 0.0001374000000000 ] - [ 0.0000285000000000, 0.0000305500000000, -0.0000327500000000 ] - [ 0.0000410300000000, 0.0000444300000000, -0.0000457100000000 ] - [ 0.0026818000000000, -0.0001128300000000, -0.0032508100000000 ] - [ 0.0001478900000000, -0.0000066800000000, 0.0002077500000000 ] - [ -0.0012380000000000, -0.0001763900000000, 0.0012094300000000 ] - [ -0.0002326800000000, 0.0000659400000000, 0.0002978900000000 ] - [ 0.0026755500000000, -0.0041747600000000, -0.0005895600000000 ] - [ 0.0024798700000000, 0.0036306400000000, -0.0007604200000000 ] - [ 0.0016004000000000, 0.0001777000000000, -0.0012229500000000 ] - [ 0.0001692600000000, 0.0000156600000000, 0.0000060600000000 ] - [ 0.0000027400000000, 0.0000213400000000, -0.0003052000000000 ] - [ -0.0000018700000000, 0.0000191500000000, -0.0003419200000000 ] - [ -0.0809450400000000, 0.0013239300000000, -0.0018002300000000 ] - [ -0.0006648900000000, 0.0004116600000000, 0.0004372100000000 ] - [ 0.0004317300000000, -0.0003959900000000, -0.0004052300000000 ] - [ 0.0003843000000000, -0.0003676200000000, -0.0003215700000000 ] - [ 0.0004982400000000, -0.0007795000000000, 0.0012202500000000 ] - [ 0.0004984600000000, 0.0014387900000000, 0.0011750900000000 ] - [ -0.0000301900000000, 0.0012356300000000, 0.0014593300000000 ] - [ -0.0005446100000000, -0.0015320400000000, 0.0015468500000000 ] - [ -0.0019370600000000, -0.0011452600000000, -0.0016272200000000 ] - [ -0.0031419100000000, 0.0050769700000000, -0.0013453700000000 ] - [ 0.0012154800000000, -0.0001674100000000, -0.0017824300000000 ] - [ 0.0012514100000000, 0.0001230800000000, -0.0014313500000000 ] - [ 0.0000734000000000, 0.0003083000000000, -0.0003669500000000 ] - [ 0.0000378700000000, -0.0001326000000000, -0.0002257700000000 ] - [ -0.0002149900000000, -0.0001011300000000, 0.0014927000000000 ] - [ -0.0002878200000000, 0.0000154500000000, 0.0006407800000000 ] - [ -0.0048158900000000, 0.0027697400000000, -0.0013237200000000 ] - [ -0.0043816400000000, -0.0025768900000000, -0.0022354700000000 ] - [ 0.0001050100000000, -0.0001851700000000, 0.0008326400000000 ] - [ 0.0000665200000000, 0.0000801900000000, 0.0000513600000000 ] - [ 0.0331631500000000, 0.0001972700000000, -0.0017371000000000 ] - [ 0.0003400600000000, -0.0001201500000000, 0.0001483400000000 ] - [ 0.0302209000000000, -0.0015013600000000, 0.0115403000000000 ] - [ 0.0010522500000000, 0.0004871300000000, -0.0004450100000000 ] - [ -0.0005713400000000, -0.0000421600000000, 0.0007351500000000 ] - [ -0.0006252300000000, -0.0001154900000000, 0.0006739400000000 ] - [ 0.0005450600000000, -0.0000187600000000, -0.0009259700000000 ] - [ 0.0005670300000000, -0.0001793700000000, -0.0006357500000000 ] - [ -0.0006068000000000, 0.0000167200000000, -0.0002687000000000 ] - [ -0.0005310900000000, -0.0001503000000000, -0.0000908400000000 ] - [ -0.0004427400000000, -0.0000917800000000, -0.0000732200000000 ] - [ -0.0004143000000000, -0.0000177600000000, -0.0001870900000000 ] - [ 0.0140534800000000, 0.0000345400000000, 0.0067873800000000 ] - [ -0.0004711300000000, 0.0000629700000000, -0.0000256900000000 ] - [ 0.0007068100000000, -0.0000860200000000, 0.0002572800000000 ] - [ 0.0005295400000000, 0.0001510000000000, 0.0000174400000000 ] - [ -0.0006104600000000, -0.0002834200000000, -0.0001038200000000 ] - [ -0.0006606900000000, -0.0004930900000000, -0.0000842400000000 ] - [ -0.0005338500000000, 0.0005939200000000, -0.0015896600000000 ] - [ -0.0001855700000000, 0.0006724200000000, -0.0009234300000000 ] - [ -0.0004196000000000, -0.0000345100000000, -0.0000152200000000 ] - [ -0.0003069900000000, -0.0000566300000000, 0.0001260300000000 ] - [ -0.0074654400000000, 0.0030003700000000, -0.0016358800000000 ] - [ -0.0000700100000000, -0.0001075600000000, -0.0003303100000000 ] - [ -0.0077806300000000, -0.0029041800000000, -0.0001179400000000 ] - [ -0.0001351200000000, 0.0006539100000000, 0.0004652100000000 ] - [ 0.0001041400000000, -0.0006451400000000, 0.0009735900000000 ] - [ 0.0001208400000000, -0.0005708500000000, 0.0009637800000000 ] - [ 0.0160460900000000, -0.0009862300000000, -0.0004280400000000 ] - [ -0.0002324100000000, -0.0000190600000000, -0.0005036400000000 ] - [ 0.0005624900000000, -0.0003753800000000, -0.0001034500000000 ] - [ 0.0005814100000000, -0.0003434600000000, 0.0002651400000000 ] - [ -0.0012667100000000, -0.0005542500000000, 0.0001011000000000 ] - [ -0.0065321700000000, 0.0038825600000000, -0.0029689800000000 ] - [ 0.0041842500000000, 0.0002583900000000, 0.0009621100000000 ] - [ 0.0018893400000000, -0.0010349400000000, 0.0001989100000000 ] - [ -0.0054108300000000, -0.0022546900000000, -0.0059034200000000 ] - [ -0.0002609800000000, -0.0004085200000000, -0.0008062300000000 ] - [ -0.0002999800000000, -0.0000989900000000, 0.0005681600000000 ] - [ -0.0001869700000000, 0.0002544400000000, 0.0005655400000000 ] - [ 0.0044687200000000, 0.0010370000000000, -0.0017871400000000 ] - [ 0.0003150700000000, 0.0014871000000000, 0.0000020500000000 ] - [ 0.0061352000000000, 0.0011747800000000, -0.0037689700000000 ] - [ 0.0007518300000000, 0.0003648600000000, 0.0001447200000000 ] - [ 0.0033217300000000, 0.0004959400000000, -0.0008539100000000 ] - [ 0.0034004100000000, -0.0003718900000000, -0.0005612800000000 ] - [ 0.0015363300000000, -0.0004528700000000, 0.0011980900000000 ] - [ 0.0022423700000000, -0.0012060200000000, 0.0013911400000000 ] - [ 0.0005153900000000, -0.0010753800000000, 0.0006398000000000 ] - [ 0.0044731900000000, -0.0024912700000000, -0.0021862400000000 ] - [ 0.0000873900000000, 0.0006344200000000, 0.0004964100000000 ] - [ -0.0006301500000000, -0.0007162900000000, 0.0005517500000000 ] - [ -0.0003148000000000, -0.0000509500000000, -0.0006395900000000 ] - [ -0.0001565900000000, -0.0000950000000000, -0.0003564900000000 ] - [ -0.0143436500000000, -0.0014345200000000, 0.0069716800000000 ] - [ -0.0004147100000000, -0.0000902800000000, 0.0008602200000000 ] - [ 0.0004921500000000, -0.0000874900000000, -0.0003077400000000 ] - [ 0.0003913500000000, -0.0001078400000000, 0.0001458500000000 ] - [ 0.0000944800000000, -0.0005632200000000, 0.0002740600000000 ] - [ -0.0000332200000000, 0.0005891500000000, 0.0004975800000000 ]- atom: 17 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ -0.0030791300000000, -0.0050085300000000, 0.0006595900000000 ] - [ -0.0016970400000000, 0.0035806500000000, 0.0007249200000000 ] - [ 0.0014950200000000, -0.0000760200000000, -0.0031154100000000 ] - [ 0.0001555100000000, -0.0000260100000000, 0.0000463800000000 ] - [ 0.0001072600000000, 0.0000500100000000, -0.0001534600000000 ] - [ 0.0000949800000000, 0.0000379100000000, -0.0001402400000000 ] - [ -0.0027835400000000, 0.0000622300000000, 0.0039773900000000 ] - [ -0.0002549400000000, -0.0000423000000000, 0.0004854700000000 ] - [ 0.0011396600000000, 0.0002254600000000, -0.0005063500000000 ] - [ 0.0001232800000000, -0.0000146200000000, 0.0003969200000000 ] - [ -0.0025458800000000, 0.0040565700000000, 0.0003989200000000 ] - [ -0.0023523100000000, -0.0036792600000000, 0.0005708700000000 ] - [ -0.0017506800000000, -0.0000942200000000, 0.0013902500000000 ] - [ -0.0003117000000000, 0.0000670200000000, 0.0001779800000000 ] - [ 0.0001115800000000, 0.0000273300000000, -0.0003833400000000 ] - [ 0.0001160500000000, 0.0000310100000000, -0.0003472800000000 ] - [ 0.0816944200000000, -0.0008126800000000, 0.0012990300000000 ] - [ 0.0012257800000000, 0.0003676600000000, -0.0006486400000000 ] - [ 0.0001276000000000, -0.0003785300000000, 0.0002011700000000 ] - [ 0.0001754900000000, -0.0004053400000000, 0.0001176800000000 ] - [ -0.0010626600000000, 0.0015391800000000, -0.0010000600000000 ] - [ -0.0010625200000000, -0.0006516200000000, -0.0009528900000000 ] - [ -0.0005180400000000, -0.0020300800000000, -0.0012700900000000 ] - [ -0.0000050700000000, 0.0007724500000000, -0.0013600700000000 ] - [ 0.0016481500000000, 0.0011481000000000, 0.0022118600000000 ] - [ 0.0028772400000000, -0.0052211600000000, 0.0018712800000000 ] - [ -0.0003821900000000, 0.0001345300000000, 0.0010718500000000 ] - [ -0.0004184100000000, -0.0001530200000000, 0.0007162000000000 ] - [ -0.0003213900000000, -0.0002462500000000, 0.0008362400000000 ] - [ -0.0002880100000000, 0.0001973000000000, 0.0007006800000000 ] - [ -0.0006336500000000, 0.0000689000000000, -0.0007699900000000 ] - [ -0.0005620700000000, -0.0000459200000000, 0.0000862300000000 ] - [ 0.0056150600000000, -0.0026600000000000, 0.0005472200000000 ] - [ 0.0051895300000000, 0.0025539100000000, 0.0014626800000000 ] - [ 0.0001633500000000, 0.0001140900000000, -0.0012977600000000 ] - [ 0.0002023000000000, -0.0001436100000000, -0.0005231300000000 ] - [ -0.0337786000000000, -0.0001671100000000, 0.0025696100000000 ] - [ -0.0011996300000000, 0.0001530400000000, 0.0005762200000000 ] - [ -0.0301762900000000, 0.0016250600000000, -0.0121628200000000 ] - [ -0.0007746200000000, -0.0004284000000000, -0.0000308600000000 ] - [ -0.0004875700000000, 0.0000885800000000, 0.0000276400000000 ] - [ -0.0004344300000000, 0.0001588300000000, 0.0000905200000000 ] - [ 0.0005150900000000, 0.0000620400000000, 0.0001624000000000 ] - [ 0.0004937000000000, 0.0002237400000000, -0.0001302800000000 ] - [ -0.0004960200000000, -0.0000307600000000, 0.0005221500000000 ] - [ -0.0005727300000000, 0.0001306200000000, 0.0003439000000000 ] - [ 0.0009071700000000, -0.0000082100000000, -0.0002258400000000 ] - [ 0.0008754300000000, -0.0000872800000000, -0.0001100600000000 ] - [ -0.0130980300000000, 0.0000804700000000, -0.0059252900000000 ] - [ 0.0000319400000000, 0.0000386800000000, 0.0003261700000000 ] - [ 0.0003916800000000, 0.0001055200000000, -0.0005122700000000 ] - [ 0.0005708600000000, -0.0001345200000000, -0.0002736600000000 ] - [ -0.0004726700000000, -0.0006491300000000, -0.0008297000000000 ] - [ -0.0004208700000000, -0.0004400200000000, -0.0008497300000000 ] - [ 0.0002186700000000, 0.0004206500000000, 0.0000846000000000 ] - [ -0.0001312700000000, 0.0003412000000000, -0.0005733800000000 ] - [ -0.0000298900000000, -0.0000682200000000, 0.0003169300000000 ] - [ -0.0001427400000000, -0.0000468900000000, 0.0001733800000000 ] - [ 0.0085252200000000, -0.0030317700000000, 0.0008415700000000 ] - [ 0.0011350000000000, 0.0000582200000000, -0.0004394200000000 ] - [ 0.0088634000000000, 0.0038250700000000, 0.0010210100000000 ] - [ 0.0012241900000000, 0.0002838900000000, 0.0004627600000000 ] - [ 0.0002106300000000, -0.0003661400000000, 0.0005207000000000 ] - [ 0.0001938700000000, -0.0004418400000000, 0.0005305100000000 ] - [ -0.0178623700000000, 0.0012756300000000, -0.0004329800000000 ] - [ 0.0000007600000000, 0.0001531300000000, -0.0000657600000000 ] - [ 0.0005217800000000, -0.0005558400000000, 0.0010360100000000 ] - [ 0.0005043100000000, -0.0005912700000000, 0.0006657600000000 ] - [ 0.0001598000000000, 0.0005796200000000, 0.0001587100000000 ] - [ 0.0054533200000000, -0.0039028100000000, 0.0032532500000000 ] - [ -0.0038706200000000, 0.0008094200000000, 0.0005499900000000 ] - [ -0.0015726900000000, 0.0020763700000000, 0.0012931000000000 ] - [ 0.0051198700000000, 0.0012634700000000, 0.0044724900000000 ] - [ -0.0000595000000000, -0.0006031500000000, -0.0006845900000000 ] - [ 0.0005084900000000, 0.0002337900000000, -0.0000039700000000 ] - [ 0.0003993800000000, -0.0001238100000000, -0.0000011900000000 ] - [ -0.0055323600000000, -0.0001090600000000, 0.0008602600000000 ] - [ -0.0014004100000000, -0.0005361200000000, -0.0009263800000000 ] - [ -0.0050646400000000, -0.0011722300000000, 0.0035144800000000 ] - [ 0.0003606300000000, -0.0004124700000000, -0.0004168500000000 ] - [ -0.0028327600000000, -0.0003955000000000, 0.0005559800000000 ] - [ -0.0029159400000000, 0.0004750800000000, 0.0002626400000000 ] - [ -0.0013375500000000, 0.0003129500000000, -0.0006638900000000 ] - [ -0.0020474200000000, 0.0010875700000000, -0.0008388300000000 ] - [ -0.0015774500000000, 0.0010095900000000, 0.0001317200000000 ] - [ -0.0054908700000000, 0.0024318900000000, 0.0029279200000000 ] - [ -0.0006432200000000, -0.0007805900000000, -0.0012771800000000 ] - [ 0.0000642400000000, 0.0005814400000000, -0.0013198000000000 ] - [ 0.0000896800000000, -0.0000814700000000, 0.0000663600000000 ] - [ -0.0000675200000000, -0.0000390900000000, -0.0002145500000000 ] - [ 0.0148693500000000, 0.0015689300000000, -0.0062112100000000 ] - [ 0.0009983700000000, 0.0002365700000000, -0.0001088300000000 ] - [ 0.0000938300000000, -0.0000601700000000, 0.0010577300000000 ] - [ 0.0001938400000000, -0.0000403800000000, 0.0006039700000000 ] - [ -0.0006830100000000, 0.0007014700000000, -0.0010036800000000 ] - [ -0.0005538200000000, -0.0004334600000000, -0.0012295200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0054710900000000, 0.0027429100000000, -0.0010065300000000 ] - [ -0.0038850500000000, 0.0027789800000000, -0.0001580000000000 ] - [ -0.0001063100000000, -0.0034225800000000, 0.0002779000000000 ] - [ 0.0000201000000000, 0.0018091100000000, 0.0000976800000000 ] - [ -0.0001718200000000, -0.0000450300000000, -0.0002756100000000 ] - [ 0.0003168900000000, 0.0001318500000000, 0.0002199100000000 ] - [ -0.0003596800000000, -0.0029126100000000, 0.0008384200000000 ] - [ -0.0000578000000000, 0.0014922200000000, 0.0001737800000000 ] - [ -0.0002724200000000, -0.0024206200000000, 0.0000336000000000 ] - [ 0.0000554800000000, 0.0017883200000000, 0.0006041900000000 ] - [ -0.0044719000000000, 0.0021846900000000, -0.0004941700000000 ] - [ 0.0040496000000000, 0.0022805800000000, -0.0000476500000000 ] - [ 0.0003214900000000, -0.0016343000000000, -0.0002687400000000 ] - [ -0.0003101100000000, 0.0013366100000000, 0.0002873400000000 ] - [ 0.0002850000000000, -0.0000436800000000, 0.0001269400000000 ] - [ -0.0001604400000000, 0.0000880600000000, -0.0006630000000000 ] - [ 0.0013990000000000, -0.0751033100000000, -0.0029669800000000 ] - [ 0.0003029000000000, 0.0084883500000000, -0.0005441400000000 ] - [ 0.0002894400000000, -0.0021833600000000, -0.0002347600000000 ] - [ 0.0002600900000000, 0.0013373200000000, 0.0002432800000000 ] - [ -0.0013184200000000, 0.0004253300000000, -0.0008310500000000 ] - [ 0.0008773600000000, 0.0004103400000000, 0.0010914400000000 ] - [ 0.0013432500000000, -0.0010352800000000, 0.0011818700000000 ] - [ -0.0014300900000000, 0.0004051700000000, -0.0008625300000000 ] - [ -0.0037100200000000, 0.0155775800000000, 0.0202642100000000 ] - [ 0.0007346400000000, 0.0110902600000000, -0.0133240400000000 ] - [ -0.0010207600000000, -0.0002988700000000, 0.0053330400000000 ] - [ 0.0017024500000000, 0.0006367500000000, -0.0045443500000000 ] - [ 0.0020925100000000, -0.0012878000000000, -0.0029440900000000 ] - [ -0.0028761200000000, 0.0020756900000000, 0.0033226800000000 ] - [ -0.0004355300000000, -0.0016007300000000, 0.0001955000000000 ] - [ -0.0004111600000000, 0.0016102300000000, 0.0007206600000000 ] - [ -0.0022959800000000, 0.0136030900000000, -0.0106278400000000 ] - [ 0.0041152300000000, 0.0156594400000000, 0.0121733700000000 ] - [ 0.0001058300000000, -0.0016512000000000, 0.0000894800000000 ] - [ 0.0001643700000000, 0.0016195000000000, -0.0003051700000000 ] - [ -0.0003760100000000, -0.0038111800000000, 0.0010959100000000 ] - [ -0.0003575800000000, 0.0038047300000000, -0.0001082600000000 ] - [ -0.0023390800000000, -0.0032493300000000, -0.0020733600000000 ] - [ 0.0003692200000000, 0.0034360100000000, -0.0002296300000000 ] - [ -0.0006068600000000, 0.0015444800000000, -0.0011573700000000 ] - [ -0.0004431500000000, -0.0013012400000000, 0.0015439000000000 ] - [ 0.0007704500000000, 0.0008542200000000, 0.0000911600000000 ] - [ 0.0002387700000000, -0.0009177900000000, -0.0009600900000000 ] - [ -0.0004287900000000, 0.0010082800000000, 0.0004097500000000 ] - [ -0.0007072300000000, -0.0010546600000000, -0.0002776300000000 ] - [ 0.0014700500000000, 0.0001417200000000, -0.0012459200000000 ] - [ -0.0005586700000000, -0.0002723500000000, 0.0005808900000000 ] - [ 0.0000892900000000, 0.0046552100000000, 0.0002071100000000 ] - [ -0.0002921700000000, -0.0019725500000000, 0.0003006200000000 ] - [ 0.0001838300000000, 0.0015141500000000, 0.0009203100000000 ] - [ 0.0009345000000000, -0.0017493400000000, -0.0010655900000000 ] - [ -0.0003750800000000, -0.0015837200000000, -0.0021052000000000 ] - [ -0.0008474300000000, 0.0000953900000000, 0.0009575200000000 ] - [ -0.0001404200000000, 0.0014724200000000, -0.0012736900000000 ] - [ -0.0001600500000000, -0.0004254900000000, -0.0003539800000000 ] - [ -0.0002027700000000, 0.0005707300000000, 0.0002229900000000 ] - [ -0.0002618400000000, -0.0006819600000000, 0.0000230300000000 ] - [ -0.0002314500000000, 0.0023769600000000, -0.0008480800000000 ] - [ 0.0008714200000000, -0.0021387100000000, -0.0000690500000000 ] - [ 0.0012820800000000, 0.0026332200000000, 0.0005242100000000 ] - [ 0.0002600000000000, -0.0016460100000000, 0.0005565200000000 ] - [ -0.0001634800000000, -0.0009173900000000, 0.0016998700000000 ] - [ 0.0005981200000000, -0.0000456900000000, -0.0004005500000000 ] - [ -0.0015431100000000, 0.0047421400000000, -0.0003465700000000 ] - [ -0.0001251800000000, -0.0019432600000000, -0.0001363900000000 ] - [ 0.0004397300000000, 0.0005724800000000, 0.0001695400000000 ] - [ 0.0006475200000000, -0.0014475600000000, 0.0006955100000000 ] - [ -0.0006456500000000, -0.0019907400000000, -0.0000729300000000 ] - [ -0.0002711000000000, 0.0016908800000000, 0.0004413600000000 ] - [ -0.0005070900000000, 0.0185514700000000, 0.0061124700000000 ] - [ -0.0002314900000000, -0.0064224500000000, 0.0041949200000000 ] - [ -0.0002361000000000, 0.0015934200000000, 0.0006384000000000 ] - [ -0.0000192900000000, -0.0020814300000000, -0.0012612400000000 ] - [ -0.0008062100000000, 0.0001850300000000, 0.0012462600000000 ] - [ 0.0009564600000000, -0.0004952200000000, -0.0006460100000000 ] - [ 0.0020551700000000, 0.0061318600000000, -0.0041748600000000 ] - [ -0.0003401700000000, -0.0054860200000000, -0.0011921300000000 ] - [ 0.0032625900000000, 0.0069539300000000, -0.0080330600000000 ] - [ 0.0015756000000000, -0.0071915100000000, -0.0020514500000000 ] - [ 0.0034782300000000, -0.0024078000000000, 0.0024579700000000 ] - [ -0.0038181200000000, -0.0028643800000000, -0.0031874900000000 ] - [ -0.0027612900000000, -0.0020190100000000, -0.0062612600000000 ] - [ 0.0027360200000000, -0.0020537700000000, 0.0040088600000000 ] - [ -0.0006625400000000, -0.0051478400000000, 0.0011927300000000 ] - [ -0.0045464700000000, 0.0088935000000000, 0.0070693400000000 ] - [ 0.0039270500000000, -0.0007857700000000, -0.0076539100000000 ] - [ -0.0031560400000000, -0.0018835100000000, 0.0038997500000000 ] - [ -0.0001085800000000, 0.0005225100000000, -0.0003067100000000 ] - [ -0.0001690500000000, -0.0006680900000000, -0.0003809500000000 ] - [ 0.0013501200000000, 0.0013361200000000, 0.0001321300000000 ] - [ -0.0001553000000000, -0.0011395900000000, 0.0007322900000000 ] - [ 0.0001523000000000, 0.0004414900000000, 0.0003861700000000 ] - [ 0.0004833000000000, -0.0006049800000000, 0.0001974900000000 ] - [ -0.0016879400000000, -0.0012369200000000, 0.0037847900000000 ] - [ 0.0015378700000000, -0.0020181000000000, -0.0057970600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0054043100000000, -0.0027904900000000, 0.0003243300000000 ] - [ 0.0039682200000000, -0.0028293900000000, -0.0005287900000000 ] - [ -0.0000367600000000, 0.0033428800000000, -0.0001246400000000 ] - [ -0.0001575500000000, -0.0018926900000000, 0.0000920100000000 ] - [ 0.0003102300000000, 0.0001286500000000, 0.0000890300000000 ] - [ -0.0001796200000000, -0.0000519200000000, -0.0004059400000000 ] - [ 0.0002563700000000, 0.0028637300000000, -0.0001684900000000 ] - [ -0.0000557400000000, -0.0015438600000000, 0.0005216800000000 ] - [ 0.0001610500000000, 0.0024774300000000, 0.0006734100000000 ] - [ -0.0001693600000000, -0.0017432400000000, 0.0000813500000000 ] - [ 0.0046470900000000, -0.0022640600000000, 0.0003121400000000 ] - [ -0.0038822400000000, -0.0023704700000000, -0.0001388600000000 ] - [ -0.0004603500000000, 0.0017193000000000, 0.0004655500000000 ] - [ 0.0001749400000000, -0.0012583700000000, -0.0001051300000000 ] - [ -0.0001738600000000, 0.0000953800000000, -0.0008219500000000 ] - [ 0.0002727400000000, -0.0000404200000000, -0.0000287600000000 ] - [ -0.0007596300000000, 0.0768841600000000, 0.0029482900000000 ] - [ 0.0002555000000000, -0.0077195700000000, 0.0003524200000000 ] - [ 0.0002710500000000, 0.0014127000000000, 0.0000284700000000 ] - [ 0.0003006000000000, -0.0021139900000000, -0.0004510800000000 ] - [ 0.0007644000000000, 0.0003636000000000, 0.0010341500000000 ] - [ -0.0014331900000000, 0.0003488100000000, -0.0008907900000000 ] - [ -0.0019136300000000, 0.0002789500000000, -0.0009787900000000 ] - [ 0.0008663700000000, -0.0011922300000000, 0.0010713200000000 ] - [ 0.0034721300000000, -0.0158023100000000, -0.0199725800000000 ] - [ -0.0009588700000000, -0.0112658100000000, 0.0136552600000000 ] - [ 0.0018795400000000, 0.0002755400000000, -0.0060938300000000 ] - [ -0.0008529100000000, -0.0006773000000000, 0.0038161300000000 ] - [ -0.0023627200000000, 0.0013627900000000, 0.0034219600000000 ] - [ 0.0026147900000000, -0.0020190200000000, -0.0028490800000000 ] - [ -0.0004121600000000, 0.0015724000000000, 0.0005317800000000 ] - [ -0.0004370700000000, -0.0016456000000000, 0.0000034600000000 ] - [ 0.0031273200000000, -0.0135738100000000, 0.0099943100000000 ] - [ -0.0033069000000000, -0.0156279600000000, -0.0128304000000000 ] - [ 0.0001604700000000, 0.0015923300000000, -0.0005736700000000 ] - [ 0.0001018800000000, -0.0016890900000000, -0.0001713300000000 ] - [ -0.0005810900000000, 0.0038419000000000, -0.0003969800000000 ] - [ -0.0004796500000000, -0.0037790400000000, 0.0008406000000000 ] - [ 0.0026778600000000, 0.0032779600000000, 0.0016709700000000 ] - [ -0.0001110900000000, -0.0033755400000000, -0.0002572300000000 ] - [ -0.0004550500000000, -0.0015110800000000, 0.0019329300000000 ] - [ -0.0006209900000000, 0.0013497000000000, -0.0007763500000000 ] - [ 0.0002918000000000, -0.0008100300000000, -0.0008597300000000 ] - [ 0.0008257000000000, 0.0009623900000000, 0.0001958700000000 ] - [ -0.0006750400000000, -0.0010304400000000, -0.0001520100000000 ] - [ -0.0003971000000000, 0.0010392400000000, 0.0005348700000000 ] - [ -0.0010254700000000, -0.0002483900000000, 0.0009525800000000 ] - [ 0.0010088300000000, 0.0001728500000000, -0.0008800800000000 ] - [ -0.0006169000000000, -0.0045657100000000, 0.0000656600000000 ] - [ -0.0001695500000000, 0.0020778100000000, -0.0000057100000000 ] - [ 0.0009202800000000, -0.0015032400000000, -0.0011759200000000 ] - [ 0.0001693200000000, 0.0017738300000000, 0.0008099300000000 ] - [ -0.0007128700000000, 0.0006556300000000, 0.0011862100000000 ] - [ -0.0002369600000000, -0.0010199700000000, -0.0018884300000000 ] - [ -0.0001763700000000, -0.0004596600000000, -0.0002148200000000 ] - [ -0.0001576600000000, 0.0014381500000000, -0.0011420700000000 ] - [ -0.0002510100000000, -0.0006748800000000, 0.0000754300000000 ] - [ -0.0001905800000000, 0.0005803100000000, 0.0002773400000000 ] - [ 0.0013224400000000, -0.0024514200000000, 0.0000975100000000 ] - [ 0.0001883100000000, 0.0021022000000000, -0.0007036600000000 ] - [ -0.0001752300000000, -0.0016766500000000, 0.0004182000000000 ] - [ 0.0008245500000000, 0.0025769500000000, 0.0003671400000000 ] - [ 0.0004810300000000, -0.0000975300000000, -0.0002038000000000 ] - [ -0.0002818500000000, -0.0009659800000000, 0.0018968500000000 ] - [ 0.0014013400000000, -0.0046379100000000, -0.0002184800000000 ] - [ -0.0000886500000000, 0.0020787900000000, -0.0004297400000000 ] - [ 0.0006466500000000, -0.0015079700000000, 0.0007589600000000 ] - [ 0.0004392400000000, 0.0005200600000000, 0.0002330700000000 ] - [ -0.0004555100000000, 0.0020090300000000, 0.0003344300000000 ] - [ -0.0008450800000000, -0.0016405100000000, -0.0002023900000000 ] - [ 0.0009105600000000, -0.0186874500000000, -0.0052752700000000 ] - [ 0.0005348300000000, 0.0074114800000000, -0.0026211900000000 ] - [ -0.0000921900000000, -0.0026225100000000, -0.0021713800000000 ] - [ -0.0002960600000000, 0.0010745400000000, -0.0002276200000000 ] - [ 0.0010302400000000, -0.0000563600000000, -0.0006784400000000 ] - [ -0.0007333600000000, 0.0006332500000000, 0.0012161700000000 ] - [ -0.0032243000000000, -0.0054392800000000, 0.0035834900000000 ] - [ -0.0007428200000000, 0.0064396700000000, 0.0002478100000000 ] - [ -0.0020780100000000, -0.0067895800000000, 0.0074159100000000 ] - [ -0.0004714600000000, 0.0071734300000000, 0.0018036700000000 ] - [ -0.0030313100000000, 0.0025083200000000, -0.0027765000000000 ] - [ 0.0042680700000000, 0.0029693200000000, 0.0028730800000000 ] - [ 0.0030018400000000, 0.0018982400000000, 0.0068700000000000 ] - [ -0.0025207800000000, 0.0019492400000000, -0.0034281900000000 ] - [ -0.0003998100000000, 0.0050988600000000, -0.0004481100000000 ] - [ 0.0033379200000000, -0.0084714600000000, -0.0057442700000000 ] - [ -0.0045446600000000, 0.0006407100000000, 0.0069545600000000 ] - [ 0.0025707100000000, 0.0017634100000000, -0.0046412700000000 ] - [ -0.0001126500000000, -0.0006574900000000, -0.0002604700000000 ] - [ -0.0000538600000000, 0.0005360300000000, -0.0001880400000000 ] - [ -0.0007606600000000, -0.0011883700000000, 0.0006018000000000 ] - [ 0.0007407600000000, 0.0012895200000000, 0.0000185200000000 ] - [ 0.0004328200000000, -0.0005908400000000, 0.0003682600000000 ] - [ 0.0001010000000000, 0.0004583300000000, 0.0005546800000000 ] - [ 0.0011096700000000, 0.0013714900000000, -0.0045361700000000 ] - [ -0.0021179300000000, 0.0021796400000000, 0.0050648700000000 ]- atom: 17 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ -0.0016769900000000, -0.0020685300000000, -0.0035133700000000 ] - [ -0.0012246600000000, 0.0012633500000000, -0.0029066400000000 ] - [ 0.0036645100000000, 0.0002308000000000, 0.0063747600000000 ] - [ 0.0005147100000000, -0.0000997100000000, 0.0005779700000000 ] - [ 0.0002673700000000, 0.0000098700000000, 0.0013834100000000 ] - [ 0.0002094600000000, 0.0000987800000000, 0.0013169400000000 ] - [ -0.0049772800000000, 0.0002663400000000, 0.0034268100000000 ] - [ -0.0008137400000000, -0.0001336700000000, 0.0001864900000000 ] - [ 0.0016892900000000, 0.0004207600000000, 0.0052124800000000 ] - [ 0.0003934900000000, -0.0001016600000000, 0.0011777400000000 ] - [ -0.0014248900000000, 0.0011752500000000, -0.0029864400000000 ] - [ -0.0013150100000000, -0.0011564200000000, -0.0031493700000000 ] - [ -0.0026267900000000, 0.0001864800000000, 0.0020204100000000 ] - [ -0.0007418700000000, -0.0000261700000000, 0.0002483800000000 ] - [ 0.0001631300000000, 0.0000612600000000, 0.0010556800000000 ] - [ 0.0002183500000000, -0.0001014200000000, 0.0011486400000000 ] - [ 0.0210022900000000, -0.0030207800000000, -0.0785976300000000 ] - [ 0.0010819800000000, -0.0000455600000000, -0.0060189900000000 ] - [ -0.0000685600000000, -0.0002576700000000, 0.0038348400000000 ] - [ 0.0000285600000000, -0.0007262700000000, 0.0028914800000000 ] - [ 0.0005341900000000, -0.0002548000000000, 0.0003954000000000 ] - [ 0.0005789800000000, 0.0010035200000000, 0.0004084200000000 ] - [ 0.0009661100000000, 0.0002165300000000, 0.0008712600000000 ] - [ 0.0011861600000000, -0.0010100100000000, 0.0007453600000000 ] - [ -0.0015845500000000, 0.0102518300000000, 0.0095544800000000 ] - [ 0.0017486600000000, -0.0240561300000000, 0.0065898600000000 ] - [ -0.0010903100000000, 0.0010707600000000, 0.0045560200000000 ] - [ -0.0014771700000000, -0.0010437200000000, 0.0049222700000000 ] - [ -0.0027492700000000, -0.0010227300000000, 0.0052460200000000 ] - [ -0.0027286300000000, 0.0013850700000000, 0.0046526700000000 ] - [ -0.0002836000000000, 0.0001122400000000, 0.0040487300000000 ] - [ -0.0002779600000000, -0.0001227700000000, 0.0029190800000000 ] - [ 0.0058625900000000, -0.0182830400000000, 0.0066083200000000 ] - [ 0.0051844700000000, 0.0159679400000000, 0.0091948800000000 ] - [ 0.0002718000000000, 0.0001857200000000, 0.0034979200000000 ] - [ 0.0000498800000000, 0.0003363400000000, 0.0022977000000000 ] - [ 0.0001700800000000, 0.0001044400000000, -0.0047548700000000 ] - [ -0.0004745000000000, -0.0000415600000000, -0.0025046100000000 ] - [ -0.0000423800000000, 0.0000971400000000, -0.0047071000000000 ] - [ 0.0003541500000000, 0.0004006200000000, -0.0027660800000000 ] - [ -0.0001789600000000, 0.0001291400000000, -0.0019005200000000 ] - [ -0.0005221600000000, 0.0013097500000000, -0.0018466800000000 ] - [ -0.0001386400000000, -0.0004983900000000, -0.0020279600000000 ] - [ 0.0001826200000000, -0.0004533600000000, -0.0015482000000000 ] - [ -0.0008684000000000, -0.0003172900000000, -0.0012888700000000 ] - [ -0.0007079900000000, -0.0004506600000000, -0.0010462200000000 ] - [ 0.0012919600000000, -0.0003392000000000, -0.0012366900000000 ] - [ 0.0013632400000000, 0.0002507600000000, -0.0011974100000000 ] - [ 0.0012754700000000, 0.0000737900000000, 0.0057543100000000 ] - [ -0.0001836700000000, 0.0000979700000000, 0.0016705500000000 ] - [ 0.0013239000000000, 0.0000844400000000, -0.0027685600000000 ] - [ 0.0009884600000000, -0.0010881300000000, -0.0017625900000000 ] - [ -0.0004780000000000, -0.0015466400000000, -0.0024262900000000 ] - [ 0.0000525000000000, -0.0003462600000000, -0.0030180900000000 ] - [ -0.0004769500000000, 0.0009596100000000, -0.0025720000000000 ] - [ -0.0002486100000000, 0.0010837600000000, -0.0019266700000000 ] - [ -0.0003147200000000, -0.0001211800000000, -0.0012751900000000 ] - [ -0.0003533000000000, -0.0000057900000000, -0.0008469600000000 ] - [ 0.0012199800000000, -0.0005143000000000, 0.0011936200000000 ] - [ 0.0008422500000000, -0.0005746800000000, 0.0007917700000000 ] - [ 0.0010409100000000, 0.0007358300000000, 0.0020697400000000 ] - [ 0.0008394500000000, 0.0009589200000000, 0.0016775500000000 ] - [ 0.0006498600000000, 0.0007847600000000, -0.0019466700000000 ] - [ 0.0006620000000000, 0.0001389700000000, -0.0017410900000000 ] - [ -0.0035733300000000, 0.0001195300000000, 0.0040271800000000 ] - [ 0.0000351600000000, -0.0000502100000000, 0.0012991400000000 ] - [ 0.0000011100000000, -0.0001852200000000, -0.0010699000000000 ] - [ 0.0002326400000000, 0.0000261300000000, -0.0006919000000000 ] - [ -0.0004781700000000, -0.0004055400000000, 0.0013128600000000 ] - [ 0.0000192700000000, -0.0005591800000000, 0.0018243700000000 ] - [ -0.0011197600000000, 0.0063084300000000, 0.0069506300000000 ] - [ -0.0010132000000000, 0.0083672300000000, 0.0055162500000000 ] - [ -0.0006718500000000, 0.0003194300000000, 0.0016783300000000 ] - [ -0.0003739300000000, 0.0000748600000000, 0.0003560600000000 ] - [ 0.0011676500000000, 0.0007540400000000, -0.0010583900000000 ] - [ 0.0007875400000000, -0.0007096700000000, -0.0009804400000000 ] - [ -0.0051091500000000, -0.0011664300000000, 0.0094388500000000 ] - [ -0.0003890600000000, -0.0055297800000000, 0.0002412000000000 ] - [ -0.0052070300000000, -0.0032417900000000, 0.0173643200000000 ] - [ 0.0012519100000000, -0.0041030400000000, -0.0003777500000000 ] - [ -0.0044711500000000, 0.0037023800000000, -0.0012292500000000 ] - [ -0.0043929000000000, -0.0032189000000000, -0.0016623000000000 ] - [ -0.0013414000000000, -0.0018375600000000, -0.0024776500000000 ] - [ -0.0034917900000000, 0.0047007200000000, -0.0030182100000000 ] - [ -0.0005531600000000, 0.0064994900000000, 0.0025698000000000 ] - [ -0.0058311400000000, 0.0073363500000000, 0.0134527200000000 ] - [ 0.0015109900000000, -0.0017295100000000, -0.0042779900000000 ] - [ 0.0029235700000000, 0.0037552500000000, -0.0047606900000000 ] - [ -0.0006711500000000, -0.0002832700000000, -0.0021831600000000 ] - [ -0.0004849700000000, -0.0001883200000000, -0.0015892800000000 ] - [ -0.0004592000000000, -0.0000113900000000, 0.0042693500000000 ] - [ -0.0002668800000000, -0.0000012500000000, 0.0023473000000000 ] - [ 0.0009932000000000, -0.0002019500000000, -0.0023462800000000 ] - [ 0.0008469200000000, -0.0001443100000000, -0.0015013400000000 ] - [ 0.0008683600000000, 0.0021842300000000, -0.0047070300000000 ] - [ 0.0014376200000000, -0.0022050200000000, -0.0049570300000000 ]- atom: 17 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ 0.0018012800000000, 0.0020363600000000, 0.0028026800000000 ] - [ 0.0013381200000000, -0.0013264400000000, 0.0022031200000000 ] - [ -0.0037603000000000, -0.0003116300000000, -0.0061464300000000 ] - [ -0.0006513300000000, 0.0000189400000000, -0.0003929300000000 ] - [ -0.0001286300000000, 0.0000701800000000, -0.0015678600000000 ] - [ -0.0000708200000000, -0.0000157000000000, -0.0015016900000000 ] - [ 0.0048138300000000, -0.0003137300000000, -0.0027173200000000 ] - [ 0.0006993000000000, 0.0000847700000000, 0.0005016100000000 ] - [ -0.0018192600000000, -0.0003734600000000, -0.0045548400000000 ] - [ -0.0005061100000000, 0.0001547200000000, -0.0004838800000000 ] - [ 0.0015496600000000, -0.0012407400000000, 0.0028069500000000 ] - [ 0.0014506800000000, 0.0010613400000000, 0.0029736700000000 ] - [ 0.0025107900000000, -0.0001051500000000, -0.0018418300000000 ] - [ 0.0006043600000000, 0.0001093200000000, -0.0000589900000000 ] - [ -0.0000514600000000, -0.0000136000000000, -0.0017456900000000 ] - [ -0.0001069500000000, 0.0001527400000000, -0.0018409100000000 ] - [ -0.0204167600000000, 0.0032367000000000, 0.0783273900000000 ] - [ -0.0005207600000000, 0.0008308500000000, 0.0058070300000000 ] - [ 0.0006291700000000, -0.0005163900000000, -0.0040377900000000 ] - [ 0.0005318500000000, -0.0000468300000000, -0.0030942700000000 ] - [ -0.0010925200000000, 0.0010330000000000, -0.0002045900000000 ] - [ -0.0011367500000000, -0.0002325600000000, -0.0002164900000000 ] - [ -0.0015250700000000, -0.0009879000000000, -0.0006539700000000 ] - [ -0.0017531100000000, 0.0002346600000000, -0.0005291500000000 ] - [ 0.0012951200000000, -0.0103396400000000, -0.0089916200000000 ] - [ -0.0020131300000000, 0.0241350200000000, -0.0061737000000000 ] - [ 0.0019456500000000, -0.0011115900000000, -0.0052792900000000 ] - [ 0.0023339400000000, 0.0010229800000000, -0.0056493700000000 ] - [ 0.0024819400000000, 0.0010708500000000, -0.0047718000000000 ] - [ 0.0024571900000000, -0.0013136600000000, -0.0041732000000000 ] - [ -0.0005641500000000, -0.0001461900000000, -0.0033172400000000 ] - [ -0.0005685100000000, 0.0000937600000000, -0.0021901000000000 ] - [ -0.0050067300000000, 0.0182323300000000, -0.0072956900000000 ] - [ -0.0043261800000000, -0.0158335400000000, -0.0098752400000000 ] - [ -0.0000053500000000, -0.0002530800000000, -0.0039762300000000 ] - [ 0.0002148900000000, -0.0003995900000000, -0.0027756800000000 ] - [ -0.0011202300000000, -0.0000737500000000, 0.0054589400000000 ] - [ -0.0003714000000000, 0.0000759100000000, 0.0032280800000000 ] - [ 0.0003804500000000, -0.0000473700000000, 0.0043092700000000 ] - [ -0.0000887600000000, -0.0003280600000000, 0.0022930300000000 ] - [ -0.0008869300000000, -0.0000781300000000, 0.0026673900000000 ] - [ -0.0005407000000000, -0.0012713300000000, 0.0026146200000000 ] - [ 0.0012037000000000, 0.0005398600000000, 0.0012591100000000 ] - [ 0.0008789900000000, 0.0004939000000000, 0.0007779500000000 ] - [ -0.0002369700000000, 0.0003014500000000, 0.0015469200000000 ] - [ -0.0003963900000000, 0.0004301700000000, 0.0013037100000000 ] - [ -0.0008417800000000, 0.0002384600000000, 0.0009335600000000 ] - [ -0.0009161900000000, -0.0003560800000000, 0.0008957800000000 ] - [ -0.0017979100000000, 0.0000317200000000, -0.0054932300000000 ] - [ -0.0002713600000000, 0.0000028200000000, -0.0013687600000000 ] - [ -0.0002160300000000, -0.0000560800000000, 0.0025070400000000 ] - [ 0.0001164400000000, 0.0011038700000000, 0.0015057600000000 ] - [ -0.0006076500000000, 0.0006193100000000, 0.0014963100000000 ] - [ -0.0011425000000000, -0.0005908700000000, 0.0020915500000000 ] - [ 0.0001578800000000, 0.0000525600000000, 0.0010796700000000 ] - [ -0.0000687500000000, -0.0000725600000000, 0.0004339100000000 ] - [ -0.0001399200000000, 0.0000188400000000, 0.0015733700000000 ] - [ -0.0001005500000000, -0.0000980000000000, 0.0011451100000000 ] - [ -0.0001297600000000, 0.0004546000000000, -0.0019400800000000 ] - [ 0.0002191800000000, 0.0005317700000000, -0.0015558800000000 ] - [ 0.0000721700000000, 0.0002158200000000, -0.0011218600000000 ] - [ 0.0002459700000000, -0.0000318000000000, -0.0007451200000000 ] - [ -0.0003326200000000, -0.0017932500000000, 0.0034413800000000 ] - [ -0.0003443000000000, -0.0011543100000000, 0.0032369500000000 ] - [ 0.0034363000000000, 0.0000128300000000, -0.0046126000000000 ] - [ -0.0002570400000000, 0.0001804800000000, -0.0018680900000000 ] - [ 0.0010869200000000, -0.0007419200000000, 0.0019955800000000 ] - [ 0.0008537200000000, -0.0009578400000000, 0.0016188700000000 ] - [ -0.0006259100000000, 0.0004193600000000, -0.0010593000000000 ] - [ -0.0011411400000000, 0.0006030500000000, -0.0015926000000000 ] - [ 0.0014395800000000, -0.0056029000000000, -0.0055645700000000 ] - [ 0.0013391500000000, -0.0073932100000000, -0.0040498500000000 ] - [ 0.0003488600000000, -0.0013425600000000, -0.0032146700000000 ] - [ 0.0000573000000000, -0.0010909600000000, -0.0018550500000000 ] - [ -0.0009417200000000, -0.0006157600000000, 0.0016291300000000 ] - [ -0.0005603800000000, 0.0008395400000000, 0.0015509000000000 ] - [ 0.0038820300000000, 0.0015900000000000, -0.0097816200000000 ] - [ -0.0006918700000000, 0.0064529900000000, -0.0011722100000000 ] - [ 0.0065598600000000, 0.0038886500000000, -0.0185669900000000 ] - [ -0.0001399100000000, 0.0040549700000000, 0.0001005200000000 ] - [ 0.0049027600000000, -0.0035855500000000, 0.0009311900000000 ] - [ 0.0048224000000000, 0.0033089800000000, 0.0013610200000000 ] - [ 0.0015565100000000, 0.0017115800000000, 0.0030190200000000 ] - [ 0.0037176200000000, -0.0048532600000000, 0.0035975800000000 ] - [ -0.0005067400000000, -0.0065240600000000, -0.0017992800000000 ] - [ 0.0046236700000000, -0.0067789500000000, -0.0121610200000000 ] - [ -0.0020797200000000, 0.0015995400000000, 0.0035091500000000 ] - [ -0.0035036500000000, -0.0038996500000000, 0.0040126500000000 ] - [ 0.0004503500000000, 0.0001505700000000, 0.0016159800000000 ] - [ 0.0002632000000000, 0.0000543100000000, 0.0010203700000000 ] - [ 0.0010412200000000, 0.0001591200000000, -0.0035403300000000 ] - [ 0.0008505700000000, 0.0001478900000000, -0.0015955300000000 ] - [ -0.0004103400000000, 0.0000548800000000, 0.0030949700000000 ] - [ -0.0002629100000000, -0.0000033300000000, 0.0022512600000000 ] - [ -0.0014523400000000, -0.0020401800000000, 0.0039739100000000 ] - [ -0.0020162800000000, 0.0023448200000000, 0.0042124500000000 ]- atom: 25 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ 0.0021773000000000, -0.0003652500000000, -0.0040195100000000 ] - [ -0.0000199900000000, -0.0001163900000000, -0.0006247900000000 ] - [ -0.0000439900000000, -0.0000669300000000, -0.0001034900000000 ] - [ -0.0000044000000000, 0.0000042000000000, 0.0001291200000000 ] - [ 0.0016348000000000, -0.0000451100000000, -0.0006767800000000 ] - [ 0.0004478400000000, 0.0000943300000000, -0.0000599000000000 ] - [ -0.0000042400000000, -0.0000709000000000, -0.0000823000000000 ] - [ -0.0000796800000000, 0.0000719500000000, -0.0000239900000000 ] - [ -0.0036838400000000, -0.0045890600000000, 0.0022573700000000 ] - [ -0.0033815700000000, 0.0066060500000000, 0.0029486100000000 ] - [ 0.0066746900000000, 0.0005227800000000, 0.0103641300000000 ] - [ 0.0002689800000000, -0.0001095900000000, 0.0000330600000000 ] - [ 0.0028475400000000, 0.0047722500000000, -0.0001623400000000 ] - [ 0.0034916600000000, -0.0049259300000000, -0.0003239600000000 ] - [ -0.0026150300000000, -0.0002445900000000, 0.0034090900000000 ] - [ -0.0004105600000000, 0.0000405800000000, -0.0001669600000000 ] - [ -0.0015091700000000, -0.0031148400000000, -0.0020625500000000 ] - [ -0.0027413800000000, 0.0011879500000000, 0.0010346500000000 ] - [ 0.0004514100000000, 0.0023494200000000, -0.0027298600000000 ] - [ 0.0004857700000000, -0.0026052800000000, -0.0027438100000000 ] - [ -0.0003066900000000, 0.0004136100000000, 0.0002599900000000 ] - [ -0.0003474100000000, 0.0003548600000000, 0.0000109900000000 ] - [ 0.0299291300000000, -0.0028929600000000, 0.0082529200000000 ] - [ 0.0006341600000000, -0.0001494000000000, 0.0005713800000000 ] - [ -0.5003647100000000, 0.0694741100000000, -0.1053109200000000 ] - [ -0.0019379900000000, -0.0008784400000000, -0.0002897400000000 ] - [ 0.0214839200000000, -0.0058138200000000, -0.0785061100000000 ] - [ 0.0006384800000000, 0.0001977800000000, 0.0002397600000000 ] - [ 0.0000621900000000, 0.0002923900000000, -0.0021459600000000 ] - [ -0.0001292500000000, -0.0002655500000000, -0.0006963100000000 ] - [ 0.0036510100000000, -0.0027273000000000, 0.0022551000000000 ] - [ 0.0037666900000000, 0.0035483300000000, 0.0032491500000000 ] - [ -0.0004458800000000, 0.0006996500000000, -0.0025747400000000 ] - [ 0.0003757200000000, -0.0007653000000000, -0.0009584000000000 ] - [ -0.0008226500000000, -0.0003577300000000, -0.0002047000000000 ] - [ -0.0008236400000000, 0.0002123200000000, 0.0000380800000000 ] - [ -0.0002960600000000, 0.0005647400000000, 0.0007353900000000 ] - [ 0.0012756000000000, -0.0005336900000000, -0.0003190400000000 ] - [ 0.0042588700000000, -0.0024117000000000, -0.0033354200000000 ] - [ 0.0038051800000000, 0.0045973900000000, -0.0021957400000000 ] - [ 0.0044457400000000, -0.0096181600000000, 0.0204752700000000 ] - [ -0.0000115600000000, 0.0005695800000000, 0.0002234300000000 ] - [ -0.0004331400000000, 0.0006295700000000, -0.0010711600000000 ] - [ -0.0029571600000000, -0.0034221200000000, -0.0044409800000000 ] - [ -0.0004815400000000, 0.0002022400000000, -0.0000596400000000 ] - [ -0.0003662400000000, -0.0001249700000000, 0.0000711500000000 ] - [ -0.0181656000000000, 0.0005361800000000, 0.0088172700000000 ] - [ -0.0003542100000000, -0.0001382300000000, -0.0001528800000000 ] - [ 0.0002160800000000, -0.0000775500000000, 0.0000299300000000 ] - [ -0.0012138000000000, 0.0005436300000000, -0.0002598300000000 ] - [ 0.0004268300000000, 0.0000945400000000, 0.0008236500000000 ] - [ 0.0004272800000000, 0.0003936100000000, 0.0006229800000000 ] - [ 0.0055168400000000, 0.0105480600000000, 0.0151338000000000 ] - [ 0.0000660000000000, -0.0011878100000000, -0.0006245000000000 ] - [ 0.0000206800000000, 0.0005617500000000, -0.0006667600000000 ] - [ 0.0000007200000000, 0.0005224700000000, -0.0008333700000000 ] - [ -0.0033018000000000, -0.0001152200000000, 0.0001931400000000 ] - [ -0.0035524800000000, -0.0002036300000000, -0.0000708900000000 ] - [ 0.0000588500000000, -0.0003101700000000, -0.0004530600000000 ] - [ 0.0001479100000000, 0.0001356100000000, -0.0001864300000000 ] - [ 0.0004259800000000, 0.0003698800000000, 0.0005342000000000 ] - [ -0.0003103000000000, 0.0007136000000000, 0.0005138500000000 ] - [ 0.0001252000000000, -0.0007950600000000, 0.0026211200000000 ] - [ 0.0001278500000000, -0.0011179500000000, 0.0013821100000000 ] - [ -0.0014518600000000, 0.0012806200000000, 0.0004103700000000 ] - [ -0.0004969200000000, -0.0015870400000000, 0.0003981300000000 ] - [ -0.0021383400000000, 0.0023424600000000, -0.0025281000000000 ] - [ -0.0002156500000000, -0.0014132600000000, -0.0002105200000000 ] - [ -0.0062918300000000, -0.0024860600000000, 0.0017289700000000 ] - [ -0.0015202200000000, 0.0011914400000000, 0.0003995700000000 ] - [ 0.0609694900000000, -0.0119870000000000, -0.0132038400000000 ] - [ 0.0005293900000000, 0.0010928700000000, 0.0007999500000000 ] - [ -0.0043067200000000, 0.0028511200000000, 0.0007751500000000 ] - [ -0.0016247200000000, -0.0020200000000000, -0.0007963700000000 ] - [ 0.0005067700000000, 0.0000506300000000, 0.0012019500000000 ] - [ 0.0003649300000000, 0.0001620000000000, 0.0006698900000000 ] - [ -0.0003596800000000, 0.0000974200000000, 0.0007966600000000 ] - [ -0.0003811200000000, 0.0010197900000000, -0.0007088300000000 ] - [ 0.0021446100000000, 0.0002919000000000, -0.0003827000000000 ] - [ 0.0731422200000000, -0.0592261500000000, 0.0122154400000000 ] - [ 0.0009321800000000, -0.0001284000000000, -0.0000336800000000 ] - [ 0.0002636100000000, 0.0002100900000000, -0.0000632200000000 ] - [ 0.2168922400000000, -0.0311641900000000, 0.1468561500000000 ] - [ 0.0010576400000000, 0.0000471600000000, 0.0008978100000000 ] - [ 0.0000052300000000, -0.0005330200000000, 0.0011921500000000 ] - [ -0.0003813400000000, 0.0007474100000000, 0.0010791900000000 ] - [ 0.1153267800000000, 0.0386161300000000, -0.0203256400000000 ] - [ 0.0004663800000000, 0.0002985200000000, -0.0010043400000000 ] - [ 0.0010758900000000, -0.0000475700000000, -0.0001133600000000 ] - [ 0.0008418500000000, -0.0001113900000000, -0.0002826200000000 ] - [ -0.0018964300000000, -0.0006547400000000, 0.0008601400000000 ] - [ -0.0018808900000000, -0.0007128300000000, 0.0015994500000000 ] - [ 0.0001796400000000, 0.0003773800000000, -0.0003790200000000 ] - [ 0.0003410000000000, -0.0006516500000000, -0.0008946200000000 ] - [ -0.0007652900000000, 0.0000625600000000, 0.0008425000000000 ] - [ -0.0005798400000000, 0.0003190700000000, 0.0001095000000000 ]- atom: 25 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ -0.0020703300000000, 0.0003187400000000, 0.0033582600000000 ] - [ 0.0001362700000000, 0.0000645500000000, -0.0000657600000000 ] - [ -0.0000943600000000, -0.0000148900000000, 0.0002893700000000 ] - [ -0.0001347700000000, -0.0000858200000000, 0.0000567700000000 ] - [ -0.0014916400000000, 0.0001273600000000, 0.0004924000000000 ] - [ -0.0003090600000000, -0.0000131600000000, -0.0001251000000000 ] - [ -0.0001060500000000, 0.0000217500000000, 0.0007757800000000 ] - [ -0.0000295600000000, -0.0001219700000000, 0.0007187700000000 ] - [ 0.0035759200000000, 0.0046285800000000, -0.0015662300000000 ] - [ 0.0032837600000000, -0.0065557900000000, -0.0022685000000000 ] - [ -0.0064558200000000, -0.0005987200000000, -0.0104186800000000 ] - [ -0.0001357300000000, 0.0000258100000000, -0.0002184700000000 ] - [ -0.0029829700000000, -0.0046808500000000, 0.0003405300000000 ] - [ -0.0036122000000000, 0.0049734900000000, 0.0004868400000000 ] - [ 0.0027173600000000, 0.0002967200000000, -0.0040831200000000 ] - [ 0.0005215700000000, 0.0000082800000000, -0.0005231200000000 ] - [ 0.0020754800000000, 0.0039037700000000, 0.0018500300000000 ] - [ 0.0032996600000000, -0.0003964500000000, -0.0012375300000000 ] - [ 0.0001074200000000, -0.0031159200000000, 0.0025201300000000 ] - [ 0.0000735800000000, 0.0018237100000000, 0.0025290100000000 ] - [ -0.0002551600000000, 0.0003617700000000, -0.0000441900000000 ] - [ -0.0002142400000000, 0.0004168100000000, 0.0001992700000000 ] - [ -0.0304947100000000, 0.0021398300000000, -0.0081481200000000 ] - [ -0.0011865700000000, -0.0006302200000000, -0.0003755400000000 ] - [ 0.5019504200000000, -0.0747554100000000, 0.1221541800000000 ] - [ 0.0016652100000000, 0.0008069100000000, 0.0007700900000000 ] - [ -0.0203837400000000, 0.0059496900000000, 0.0774307600000000 ] - [ 0.0002033000000000, -0.0002335900000000, -0.0009642000000000 ] - [ -0.0003264100000000, -0.0002249300000000, 0.0026213100000000 ] - [ -0.0001353800000000, 0.0003287200000000, 0.0011727600000000 ] - [ -0.0044878900000000, 0.0026809300000000, -0.0015213900000000 ] - [ -0.0046040900000000, -0.0035714600000000, -0.0025170200000000 ] - [ 0.0012869700000000, -0.0006708600000000, 0.0018325500000000 ] - [ 0.0004673300000000, 0.0007960700000000, 0.0002286200000000 ] - [ 0.0010891800000000, 0.0002878800000000, -0.0002641400000000 ] - [ 0.0010903700000000, -0.0002766500000000, -0.0005084500000000 ] - [ -0.0005608700000000, -0.0005236300000000, 0.0000008000000000 ] - [ -0.0021340900000000, 0.0005558200000000, 0.0010681500000000 ] - [ -0.0039851000000000, 0.0024897100000000, 0.0028649700000000 ] - [ -0.0035239400000000, -0.0045964800000000, 0.0017238200000000 ] - [ -0.0055207600000000, 0.0096476800000000, -0.0196727500000000 ] - [ -0.0010472700000000, -0.0005214300000000, 0.0005425000000000 ] - [ 0.0014918300000000, -0.0005791100000000, 0.0003052100000000 ] - [ 0.0040080700000000, 0.0034576600000000, 0.0036748700000000 ] - [ -0.0006230000000000, -0.0002181200000000, 0.0003107400000000 ] - [ -0.0007375800000000, 0.0001055300000000, 0.0001829600000000 ] - [ 0.0187168700000000, -0.0006896900000000, -0.0091560400000000 ] - [ 0.0008095500000000, 0.0000382000000000, -0.0001439600000000 ] - [ -0.0006601700000000, 0.0001773300000000, 0.0002682500000000 ] - [ 0.0007727800000000, -0.0004370100000000, 0.0005539500000000 ] - [ 0.0006756800000000, -0.0000774900000000, -0.0010797300000000 ] - [ 0.0006757200000000, -0.0003733300000000, -0.0008777900000000 ] - [ -0.0065829800000000, -0.0114574600000000, -0.0159960500000000 ] - [ -0.0011480000000000, 0.0002579900000000, -0.0003054000000000 ] - [ -0.0003370100000000, 0.0004543800000000, -0.0008335200000000 ] - [ -0.0003172900000000, 0.0004911600000000, -0.0006657900000000 ] - [ 0.0028368000000000, 0.0000147200000000, 0.0001053100000000 ] - [ 0.0030871800000000, 0.0000976000000000, 0.0003704900000000 ] - [ 0.0010050400000000, 0.0002599700000000, -0.0003196800000000 ] - [ 0.0009154900000000, -0.0001730100000000, -0.0005880900000000 ] - [ 0.0006611200000000, 0.0005576000000000, 0.0003912300000000 ] - [ 0.0013970800000000, 0.0002218400000000, 0.0004051700000000 ] - [ 0.0001918700000000, -0.0002192200000000, -0.0011227500000000 ] - [ 0.0001888100000000, 0.0001044900000000, 0.0001133600000000 ] - [ 0.0012224100000000, -0.0011529900000000, -0.0009823900000000 ] - [ 0.0002606600000000, 0.0017365100000000, -0.0009750700000000 ] - [ 0.0032093300000000, -0.0032627600000000, 0.0034507000000000 ] - [ 0.0012979100000000, 0.0004785500000000, 0.0011391100000000 ] - [ 0.0051938600000000, 0.0025443200000000, -0.0014767400000000 ] - [ 0.0004151900000000, -0.0011788200000000, -0.0001412700000000 ] - [ -0.0603333400000000, 0.0120147500000000, 0.0130240400000000 ] - [ -0.0002118100000000, -0.0000815800000000, 0.0006981500000000 ] - [ 0.0039913900000000, -0.0038779000000000, -0.0022693600000000 ] - [ 0.0013006300000000, 0.0010253300000000, -0.0006886300000000 ] - [ -0.0002865900000000, 0.0000818300000000, -0.0006347100000000 ] - [ -0.0001431500000000, -0.0000280800000000, -0.0001010700000000 ] - [ -0.0007307900000000, 0.0008349400000000, -0.0017186500000000 ] - [ -0.0007059500000000, -0.0000926500000000, -0.0002147000000000 ] - [ -0.0010362300000000, -0.0003001500000000, 0.0001249000000000 ] - [ -0.0728342600000000, 0.0599231400000000, -0.0127214700000000 ] - [ -0.0004702400000000, 0.0002312200000000, -0.0002655700000000 ] - [ 0.0001922300000000, -0.0001063500000000, -0.0002358700000000 ] - [ -0.2253145900000000, 0.0332276100000000, -0.1564495000000000 ] - [ -0.0008374700000000, -0.0001784800000000, -0.0003279500000000 ] - [ -0.0010722900000000, 0.0004897200000000, -0.0004144400000000 ] - [ -0.0006827600000000, -0.0007868900000000, -0.0003069500000000 ] - [ -0.1090814700000000, -0.0356351300000000, 0.0155494000000000 ] - [ -0.0010459100000000, -0.0004439400000000, 0.0002480400000000 ] - [ -0.0012967000000000, -0.0000833200000000, -0.0004600400000000 ] - [ -0.0010634900000000, -0.0000240900000000, -0.0002903800000000 ] - [ 0.0024795300000000, 0.0007961400000000, -0.0001134900000000 ] - [ 0.0024722000000000, 0.0008739100000000, -0.0008633400000000 ] - [ 0.0004068300000000, -0.0005236200000000, 0.0011271900000000 ] - [ 0.0002448300000000, 0.0005012600000000, 0.0016431300000000 ] - [ 0.0001774200000000, 0.0000872400000000, -0.0015923100000000 ] - [ -0.0000063800000000, -0.0001701200000000, -0.0008588700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023438800000000, -0.0029939400000000, 0.0007466900000000 ] - [ 0.0004979000000000, 0.0019872000000000, -0.0005102100000000 ] - [ -0.0000126200000000, 0.0004227800000000, 0.0005398400000000 ] - [ 0.0000193300000000, -0.0004611500000000, -0.0008285400000000 ] - [ 0.0003553000000000, -0.0004995600000000, -0.0006224800000000 ] - [ 0.0000267000000000, 0.0005664600000000, 0.0000016700000000 ] - [ -0.0001637900000000, 0.0004490500000000, 0.0007940800000000 ] - [ -0.0000735000000000, -0.0004619300000000, -0.0005025100000000 ] - [ -0.0025215000000000, 0.0053255300000000, -0.0038298100000000 ] - [ 0.0059417200000000, 0.0061477400000000, 0.0110837600000000 ] - [ 0.0011342200000000, -0.0074788600000000, 0.0000755200000000 ] - [ -0.0004628800000000, 0.0023439400000000, -0.0004014700000000 ] - [ 0.0015869300000000, 0.0028851100000000, -0.0010123000000000 ] - [ -0.0059741600000000, 0.0006691300000000, 0.0045360300000000 ] - [ -0.0003173400000000, -0.0009835000000000, -0.0011033700000000 ] - [ 0.0001814000000000, 0.0009516900000000, -0.0000050300000000 ] - [ -0.0009149200000000, 0.0160880300000000, 0.0103108900000000 ] - [ 0.0055321600000000, 0.0115523400000000, -0.0236151500000000 ] - [ 0.0004510300000000, 0.0016588700000000, -0.0014595500000000 ] - [ 0.0000002100000000, -0.0017118200000000, 0.0009014100000000 ] - [ -0.0001312100000000, -0.0012372300000000, -0.0000888200000000 ] - [ -0.0003899900000000, 0.0020447200000000, -0.0003123500000000 ] - [ -0.0018655000000000, -0.0036604000000000, -0.0002540600000000 ] - [ 0.0001722100000000, 0.0030228400000000, 0.0006089300000000 ] - [ 0.0690094400000000, -0.6171591400000001, -0.0505659200000000 ] - [ -0.0009849600000000, 0.0125061100000000, 0.0020107600000000 ] - [ 0.0050014500000000, -0.0121576900000000, -0.0317748000000000 ] - [ -0.0002579700000000, 0.0049423700000000, 0.0015070200000000 ] - [ -0.0003904000000000, -0.0006394300000000, 0.0002188000000000 ] - [ 0.0001662200000000, 0.0006160000000000, -0.0005618300000000 ] - [ -0.0000410800000000, 0.0015750900000000, -0.0003486300000000 ] - [ -0.0000976500000000, -0.0023523100000000, 0.0012779300000000 ] - [ 0.0004526900000000, -0.0065879000000000, 0.0021761800000000 ] - [ -0.0000497300000000, 0.0054673000000000, -0.0010358000000000 ] - [ -0.0001073700000000, 0.0000143600000000, -0.0010082900000000 ] - [ 0.0004544700000000, 0.0000192300000000, 0.0000452500000000 ] - [ 0.0021623600000000, 0.0010970200000000, 0.0025636000000000 ] - [ -0.0058973600000000, -0.0010933800000000, -0.0037573800000000 ] - [ -0.0023213100000000, 0.0043529300000000, -0.0010233200000000 ] - [ 0.0047105600000000, -0.0049588300000000, 0.0028248000000000 ] - [ -0.0015511100000000, -0.0008594600000000, 0.0071921700000000 ] - [ 0.0004665800000000, -0.0022815500000000, -0.0009597100000000 ] - [ 0.0006432200000000, -0.0013804500000000, -0.0004547000000000 ] - [ 0.0002216300000000, 0.0023877400000000, -0.0001286700000000 ] - [ -0.0005582900000000, 0.0001539100000000, 0.0004718800000000 ] - [ -0.0005693900000000, -0.0002136900000000, 0.0000464600000000 ] - [ -0.0077172700000000, 0.0014527400000000, 0.0068409300000000 ] - [ 0.0006877900000000, -0.0016683600000000, -0.0005790900000000 ] - [ -0.0027309900000000, -0.0012044800000000, -0.0016124000000000 ] - [ 0.0047220700000000, -0.0004606200000000, 0.0043874100000000 ] - [ 0.0006561200000000, 0.0003144800000000, -0.0000540800000000 ] - [ 0.0004510300000000, -0.0002178500000000, 0.0001723800000000 ] - [ 0.0036811600000000, 0.0119954100000000, 0.0027624700000000 ] - [ -0.0010415800000000, -0.0035840300000000, -0.0010581300000000 ] - [ -0.0001372100000000, -0.0000377800000000, -0.0004061800000000 ] - [ -0.0002006700000000, 0.0009421500000000, -0.0007095900000000 ] - [ -0.0005850600000000, -0.0008012800000000, 0.0005560300000000 ] - [ -0.0001637400000000, 0.0008095700000000, -0.0004751000000000 ] - [ 0.0001639800000000, 0.0005226300000000, -0.0012090600000000 ] - [ 0.0018895700000000, -0.0014274600000000, 0.0011340600000000 ] - [ -0.0001350300000000, -0.0013320400000000, -0.0003691600000000 ] - [ 0.0017583600000000, 0.0032607000000000, 0.0018092100000000 ] - [ 0.0002152600000000, 0.0002161400000000, 0.0007970300000000 ] - [ 0.0001032700000000, -0.0013658200000000, 0.0011935800000000 ] - [ 0.0025059000000000, -0.0023536800000000, -0.0003485300000000 ] - [ -0.0057974000000000, 0.0006065100000000, 0.0003839300000000 ] - [ 0.0006967300000000, -0.0010219400000000, 0.0011486400000000 ] - [ -0.0006116000000000, -0.0001538800000000, -0.0007320100000000 ] - [ -0.0009530800000000, 0.0047061400000000, -0.0012446600000000 ] - [ -0.0000715500000000, -0.0031086100000000, 0.0008129600000000 ] - [ -0.0145656000000000, 0.1559204000000000, 0.1452441300000000 ] - [ 0.0003833500000000, -0.0075092800000000, -0.0014398600000000 ] - [ 0.0008781300000000, -0.0019068600000000, -0.0008491400000000 ] - [ -0.0013486100000000, -0.0005910500000000, -0.0014627600000000 ] - [ 0.0004189000000000, 0.0005470700000000, 0.0002959200000000 ] - [ 0.0000392500000000, -0.0003808400000000, 0.0005652800000000 ] - [ -0.0005640900000000, 0.0026364600000000, -0.0042111000000000 ] - [ -0.0006092600000000, -0.0039440400000000, 0.0031092400000000 ] - [ 0.0012195900000000, -0.0089715700000000, 0.0007465600000000 ] - [ -0.0555514900000000, 0.3128694800000000, -0.0432254100000000 ] - [ -0.0002616900000000, 0.0017352200000000, -0.0007755300000000 ] - [ 0.0004885100000000, -0.0013751500000000, 0.0001669700000000 ] - [ -0.0315239000000000, 0.0685924400000000, -0.0286418500000000 ] - [ 0.0002147300000000, -0.0037921800000000, 0.0000665000000000 ] - [ -0.0004392100000000, 0.0054145500000000, 0.0019346500000000 ] - [ -0.0006060300000000, -0.0034587200000000, -0.0011108600000000 ] - [ 0.0329078100000000, 0.0619559200000000, -0.0072780600000000 ] - [ -0.0005878500000000, -0.0037280700000000, -0.0012869700000000 ] - [ 0.0002238100000000, -0.0003478100000000, 0.0002983500000000 ] - [ -0.0001584900000000, 0.0001568200000000, -0.0008570300000000 ] - [ 0.0001498800000000, -0.0006730500000000, -0.0004588500000000 ] - [ 0.0009212200000000, 0.0004878600000000, 0.0013893200000000 ] - [ 0.0001490600000000, -0.0003400700000000, 0.0008106400000000 ] - [ 0.0003217700000000, 0.0003129200000000, 0.0001607100000000 ] - [ -0.0002843200000000, 0.0011329800000000, -0.0005211600000000 ] - [ -0.0003913400000000, -0.0009073700000000, 0.0003606600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024629800000000, 0.0029334600000000, -0.0014425500000000 ] - [ -0.0003867100000000, -0.0020317900000000, -0.0001787500000000 ] - [ -0.0001261000000000, -0.0005082200000000, -0.0003560700000000 ] - [ -0.0001578100000000, 0.0003827900000000, 0.0010073900000000 ] - [ -0.0002187300000000, 0.0005805200000000, 0.0004366800000000 ] - [ 0.0001106500000000, -0.0004840600000000, -0.0001893300000000 ] - [ 0.0000524000000000, -0.0005019100000000, -0.0001015700000000 ] - [ -0.0000368400000000, 0.0004155500000000, 0.0011906300000000 ] - [ 0.0023850700000000, -0.0052178500000000, 0.0044637300000000 ] - [ -0.0060998800000000, -0.0061891300000000, -0.0104850900000000 ] - [ -0.0010079100000000, 0.0073829300000000, -0.0002754500000000 ] - [ 0.0006026100000000, -0.0024172100000000, 0.0002209800000000 ] - [ -0.0017064600000000, -0.0028019400000000, 0.0011895100000000 ] - [ 0.0058652100000000, -0.0005918500000000, -0.0043500000000000 ] - [ 0.0004292700000000, 0.0010321000000000, 0.0004087100000000 ] - [ -0.0000700800000000, -0.0009014400000000, -0.0006921500000000 ] - [ 0.0014629500000000, -0.0152907000000000, -0.0104055900000000 ] - [ -0.0049576200000000, -0.0108036100000000, 0.0234899200000000 ] - [ 0.0001105500000000, -0.0024369200000000, 0.0012461100000000 ] - [ 0.0005632100000000, 0.0009397600000000, -0.0011158600000000 ] - [ -0.0004319700000000, 0.0020084300000000, 0.0002838300000000 ] - [ -0.0001698600000000, -0.0012670700000000, 0.0005137600000000 ] - [ 0.0012572900000000, 0.0028695000000000, 0.0004683400000000 ] - [ -0.0007395400000000, -0.0037907700000000, -0.0004019300000000 ] - [ -0.0757487300000000, 0.6373653500000001, 0.0393340900000000 ] - [ 0.0007152200000000, -0.0125139600000000, -0.0015339500000000 ] - [ -0.0041373400000000, 0.0121612100000000, 0.0311399700000000 ] - [ 0.0011161000000000, -0.0049704800000000, -0.0022377800000000 ] - [ 0.0001274900000000, 0.0007017400000000, 0.0002437100000000 ] - [ -0.0004343100000000, -0.0005471100000000, 0.0010323400000000 ] - [ -0.0008120500000000, -0.0016118000000000, 0.0010648800000000 ] - [ -0.0007572800000000, 0.0023295900000000, -0.0005576700000000 ] - [ 0.0004015900000000, 0.0066091800000000, -0.0029481100000000 ] - [ 0.0009020700000000, -0.0054192900000000, 0.0003099700000000 ] - [ 0.0003747300000000, -0.0000860500000000, 0.0005225400000000 ] - [ -0.0001890200000000, -0.0000815100000000, -0.0005336100000000 ] - [ -0.0030019100000000, -0.0010789600000000, -0.0018221200000000 ] - [ 0.0050342100000000, 0.0011385100000000, 0.0044801900000000 ] - [ 0.0025730600000000, -0.0042855500000000, 0.0005527600000000 ] - [ -0.0044581100000000, 0.0050550500000000, -0.0032945600000000 ] - [ 0.0004662700000000, 0.0009379800000000, -0.0064540100000000 ] - [ -0.0015352800000000, 0.0023259500000000, 0.0017325600000000 ] - [ 0.0004258500000000, 0.0014257500000000, -0.0003052200000000 ] - [ 0.0008460900000000, -0.0023504500000000, -0.0006367900000000 ] - [ -0.0005445500000000, -0.0001664700000000, -0.0002106000000000 ] - [ -0.0005336400000000, 0.0001944900000000, 0.0002135800000000 ] - [ 0.0082364200000000, -0.0015725700000000, -0.0072028000000000 ] - [ -0.0002411400000000, 0.0015631500000000, 0.0002799600000000 ] - [ 0.0022656500000000, 0.0013131200000000, 0.0019002800000000 ] - [ -0.0051685300000000, 0.0005538900000000, -0.0040812100000000 ] - [ 0.0004462300000000, -0.0002929600000000, -0.0001970300000000 ] - [ 0.0006521400000000, 0.0002337000000000, -0.0004249700000000 ] - [ -0.0047955900000000, -0.0129844700000000, -0.0036765500000000 ] - [ -0.0000501100000000, 0.0026485100000000, 0.0001343100000000 ] - [ -0.0001791800000000, 0.0010510300000000, -0.0010854900000000 ] - [ -0.0001155200000000, 0.0000664800000000, -0.0007774000000000 ] - [ 0.0001347600000000, 0.0007008300000000, -0.0002535300000000 ] - [ -0.0002865600000000, -0.0009159600000000, 0.0007743100000000 ] - [ 0.0008959000000000, -0.0005532100000000, 0.0004399400000000 ] - [ -0.0008220400000000, 0.0013745500000000, -0.0018981400000000 ] - [ 0.0012209000000000, 0.0022650000000000, 0.0012950500000000 ] - [ -0.0006681600000000, -0.0023333400000000, -0.0008759600000000 ] - [ 0.0001001400000000, -0.0012319400000000, 0.0007054700000000 ] - [ 0.0002133700000000, 0.0003515800000000, 0.0003059400000000 ] - [ -0.0027121000000000, 0.0024860300000000, -0.0002264300000000 ] - [ 0.0055857600000000, -0.0004819000000000, -0.0009581100000000 ] - [ 0.0003962200000000, 0.0000950500000000, -0.0002149400000000 ] - [ 0.0017054200000000, -0.0007819700000000, 0.0016675100000000 ] - [ -0.0001500200000000, -0.0046985200000000, 0.0014967200000000 ] - [ -0.0010296900000000, 0.0031240800000000, -0.0005584300000000 ] - [ 0.0143371100000000, -0.1530481700000000, -0.1377470900000000 ] - [ -0.0000676000000000, 0.0084979200000000, 0.0029195600000000 ] - [ -0.0011833200000000, 0.0008970700000000, -0.0006500500000000 ] - [ 0.0010402500000000, -0.0004341600000000, -0.0000441800000000 ] - [ -0.0001983200000000, -0.0004122800000000, 0.0002783500000000 ] - [ 0.0001843300000000, 0.0005130300000000, 0.0000068500000000 ] - [ -0.0005279400000000, -0.0016836800000000, 0.0032962600000000 ] - [ -0.0004785300000000, 0.0048631100000000, -0.0040320700000000 ] - [ -0.0001134000000000, 0.0088928700000000, -0.0010042700000000 ] - [ 0.0618050400000000, -0.3340575400000000, 0.0478881000000000 ] - [ 0.0007200800000000, -0.0016288600000000, 0.0004904600000000 ] - [ -0.0000366900000000, 0.0014738500000000, -0.0004661400000000 ] - [ 0.0329235900000000, -0.0695060100000000, 0.0302730200000000 ] - [ 0.0000110000000000, 0.0036506700000000, 0.0005012500000000 ] - [ -0.0006288800000000, -0.0054651700000000, -0.0011449600000000 ] - [ -0.0004566800000000, 0.0033994800000000, 0.0018637100000000 ] - [ -0.0327845500000000, -0.0621546500000000, 0.0062341000000000 ] - [ -0.0000072700000000, 0.0035695400000000, 0.0005403000000000 ] - [ -0.0004446900000000, 0.0002170100000000, -0.0008617300000000 ] - [ -0.0000616500000000, -0.0002911000000000, 0.0002942400000000 ] - [ 0.0004420900000000, 0.0008269400000000, 0.0012013600000000 ] - [ -0.0003251800000000, -0.0003453400000000, -0.0006401700000000 ] - [ 0.0004349400000000, 0.0001931800000000, -0.0000516500000000 ] - [ 0.0002639800000000, -0.0004629700000000, 0.0005965800000000 ] - [ -0.0003097800000000, -0.0009811800000000, -0.0002173900000000 ] - [ -0.0001952900000000, 0.0010525600000000, -0.0011104200000000 ]- atom: 25 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ -0.0062614100000000, -0.0005735700000000, 0.0023434700000000 ] - [ -0.0003008100000000, 0.0002626000000000, -0.0004934700000000 ] - [ 0.0004129000000000, 0.0004846300000000, 0.0022904800000000 ] - [ 0.0003165500000000, -0.0005816600000000, 0.0018327000000000 ] - [ -0.0005050500000000, 0.0000282600000000, 0.0026008100000000 ] - [ 0.0001569000000000, 0.0000549200000000, 0.0007708600000000 ] - [ -0.0006217900000000, 0.0004126300000000, 0.0019457500000000 ] - [ -0.0005351800000000, -0.0006079700000000, 0.0017435500000000 ] - [ 0.0018373400000000, -0.0050265900000000, -0.0015423400000000 ] - [ 0.0017747800000000, 0.0073257000000000, -0.0001120900000000 ] - [ 0.0095465500000000, -0.0007443000000000, -0.0007270100000000 ] - [ 0.0004318600000000, 0.0002092600000000, -0.0008079900000000 ] - [ -0.0016723400000000, -0.0045177600000000, -0.0018832800000000 ] - [ -0.0011696300000000, 0.0042759200000000, -0.0027061900000000 ] - [ 0.0021043400000000, -0.0001892100000000, 0.0039610900000000 ] - [ 0.0000854000000000, -0.0000552500000000, 0.0000613100000000 ] - [ -0.0011150900000000, 0.0207548500000000, 0.0091712800000000 ] - [ -0.0004788200000000, -0.0128885400000000, 0.0055502700000000 ] - [ -0.0002278800000000, -0.0040894300000000, 0.0048899300000000 ] - [ -0.0003702700000000, 0.0032610600000000, 0.0054397200000000 ] - [ 0.0007376500000000, 0.0000621400000000, 0.0040807700000000 ] - [ 0.0000030000000000, 0.0004578300000000, 0.0027378800000000 ] - [ 0.0030058300000000, -0.0015086600000000, -0.0034073100000000 ] - [ -0.0007135500000000, -0.0004408700000000, -0.0026054900000000 ] - [ 0.0272589600000000, -0.0702305100000000, -0.5992644400000000 ] - [ -0.0001334600000000, 0.0018894500000000, -0.0059147000000000 ] - [ -0.0350415400000000, -0.0047723700000000, 0.0597313500000000 ] - [ 0.0005569200000000, -0.0005630600000000, -0.0050557800000000 ] - [ -0.0025174100000000, -0.0000171500000000, 0.0086295100000000 ] - [ -0.0010503200000000, 0.0008756300000000, 0.0044891100000000 ] - [ -0.0015158400000000, -0.0034639800000000, 0.0028537100000000 ] - [ -0.0012684800000000, 0.0038136700000000, 0.0034912300000000 ] - [ 0.0018286800000000, -0.0011186500000000, 0.0117524900000000 ] - [ 0.0015217100000000, 0.0017497100000000, 0.0037955000000000 ] - [ 0.0006306000000000, -0.0002203700000000, 0.0046677600000000 ] - [ 0.0003941600000000, 0.0006357500000000, 0.0046001300000000 ] - [ 0.0047191100000000, 0.0016998500000000, -0.0012614500000000 ] - [ 0.0021301800000000, -0.0018918300000000, -0.0007850000000000 ] - [ -0.0039151900000000, -0.0000753900000000, -0.0106880900000000 ] - [ -0.0027130300000000, 0.0017548300000000, -0.0080187300000000 ] - [ 0.0004458000000000, 0.0084173600000000, -0.0127233500000000 ] - [ -0.0003108200000000, -0.0014406000000000, 0.0015036800000000 ] - [ 0.0006875900000000, 0.0015153000000000, -0.0001789500000000 ] - [ -0.0002899000000000, -0.0027711700000000, -0.0025261300000000 ] - [ -0.0008596000000000, -0.0003006900000000, -0.0024197900000000 ] - [ -0.0007486800000000, -0.0008710500000000, -0.0016783700000000 ] - [ 0.0110255900000000, 0.0001564800000000, -0.0062651700000000 ] - [ 0.0004402300000000, 0.0001325300000000, 0.0008772800000000 ] - [ -0.0050167100000000, -0.0018477800000000, -0.0013592900000000 ] - [ -0.0022784400000000, 0.0013681600000000, -0.0003939000000000 ] - [ 0.0010346800000000, -0.0007284700000000, -0.0032886200000000 ] - [ 0.0008601600000000, -0.0009871700000000, -0.0025867400000000 ] - [ 0.0022718000000000, -0.0094281900000000, -0.0136238800000000 ] - [ -0.0004583100000000, 0.0012712900000000, 0.0005503000000000 ] - [ -0.0003078900000000, 0.0014845100000000, -0.0035761600000000 ] - [ -0.0002893700000000, 0.0015087800000000, -0.0034948300000000 ] - [ 0.0006583200000000, 0.0013702500000000, -0.0009352100000000 ] - [ 0.0005422500000000, -0.0016029800000000, -0.0009063700000000 ] - [ -0.0001339200000000, -0.0006291200000000, -0.0012596800000000 ] - [ -0.0000699600000000, 0.0009170800000000, -0.0009193900000000 ] - [ -0.0006350000000000, -0.0008959700000000, -0.0000283600000000 ] - [ 0.0002035900000000, 0.0017125700000000, -0.0001627100000000 ] - [ 0.0008223700000000, 0.0009159500000000, -0.0044867400000000 ] - [ 0.0003553700000000, 0.0007799000000000, -0.0016145500000000 ] - [ 0.0056817400000000, -0.0026511100000000, 0.0031673700000000 ] - [ 0.0038299700000000, 0.0011682300000000, 0.0023679600000000 ] - [ 0.0001113000000000, 0.0019882300000000, -0.0012667800000000 ] - [ 0.0008558100000000, -0.0020990400000000, 0.0005462800000000 ] - [ 0.0004211200000000, -0.0017652700000000, 0.0053188400000000 ] - [ 0.0003274900000000, -0.0007518500000000, 0.0031489000000000 ] - [ -0.0309641600000000, 0.1414512900000000, 0.2738299800000000 ] - [ 0.0001683500000000, 0.0018780200000000, 0.0032500700000000 ] - [ 0.0007495300000000, 0.0028836500000000, 0.0051810800000000 ] - [ 0.0002045300000000, -0.0001811700000000, 0.0027814000000000 ] - [ -0.0001886700000000, -0.0000269400000000, -0.0028729700000000 ] - [ -0.0002507900000000, -0.0002350000000000, -0.0014315300000000 ] - [ -0.0005143900000000, 0.0011766000000000, -0.0065630300000000 ] - [ -0.0005708600000000, 0.0006104100000000, -0.0017266600000000 ] - [ -0.0001999300000000, -0.0029815900000000, 0.0046857700000000 ] - [ -0.0064138200000000, -0.0309983900000000, 0.0671669000000000 ] - [ -0.0015773500000000, 0.0004033500000000, -0.0036290200000000 ] - [ -0.0004922600000000, -0.0003313800000000, -0.0013647200000000 ] - [ 0.0832644500000000, -0.0185226100000000, 0.1506899200000000 ] - [ 0.0013525200000000, -0.0005871900000000, 0.0030052700000000 ] - [ -0.0005344100000000, 0.0011122800000000, -0.0053282700000000 ] - [ -0.0004170000000000, -0.0034600300000000, -0.0030888200000000 ] - [ -0.0598705500000000, -0.0219785300000000, 0.0659635900000000 ] - [ -0.0021603400000000, -0.0005824900000000, 0.0034946700000000 ] - [ -0.0014568400000000, 0.0004308800000000, -0.0027388000000000 ] - [ -0.0013946600000000, -0.0010180200000000, -0.0026108600000000 ] - [ -0.0005353100000000, -0.0001117100000000, 0.0038888700000000 ] - [ -0.0004252100000000, -0.0001094000000000, 0.0027109100000000 ] - [ 0.0011363300000000, 0.0002803800000000, -0.0021718600000000 ] - [ 0.0013509700000000, -0.0008063700000000, -0.0024629500000000 ] - [ 0.0022969300000000, -0.0001123200000000, -0.0069229500000000 ] - [ 0.0009400200000000, -0.0005514800000000, -0.0036789500000000 ]- atom: 25 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ 0.0063312200000000, 0.0005359000000000, -0.0030236100000000 ] - [ 0.0004141300000000, -0.0003179300000000, -0.0002021700000000 ] - [ -0.0005493500000000, -0.0005627000000000, -0.0021117200000000 ] - [ -0.0004522000000000, 0.0004962000000000, -0.0016486200000000 ] - [ 0.0006470000000000, 0.0000558500000000, -0.0027840400000000 ] - [ -0.0000189600000000, 0.0000248900000000, -0.0009550700000000 ] - [ 0.0005087900000000, -0.0004585000000000, -0.0012604000000000 ] - [ 0.0004199900000000, 0.0005548200000000, -0.0010536400000000 ] - [ -0.0019549100000000, 0.0050917300000000, 0.0022631800000000 ] - [ -0.0019232300000000, -0.0073240300000000, 0.0008168300000000 ] - [ -0.0093794200000000, 0.0006720100000000, 0.0005156700000000 ] - [ -0.0002962700000000, -0.0002960300000000, 0.0006197100000000 ] - [ 0.0015322500000000, 0.0045928000000000, 0.0020851700000000 ] - [ 0.0010484900000000, -0.0042041100000000, 0.0029102500000000 ] - [ -0.0020118000000000, 0.0002466300000000, -0.0046882600000000 ] - [ 0.0000261200000000, 0.0001026300000000, -0.0007501100000000 ] - [ 0.0016926600000000, -0.0199284500000000, -0.0093937400000000 ] - [ 0.0010452900000000, 0.0135516000000000, -0.0057358400000000 ] - [ 0.0007922600000000, 0.0033327100000000, -0.0051000000000000 ] - [ 0.0009394200000000, -0.0040690600000000, -0.0056741700000000 ] - [ -0.0012971300000000, 0.0007158100000000, -0.0038865300000000 ] - [ -0.0005644200000000, 0.0003123100000000, -0.0025426900000000 ] - [ -0.0036009600000000, 0.0007475800000000, 0.0036464100000000 ] - [ 0.0001554300000000, -0.0003383600000000, 0.0028214400000000 ] - [ -0.0282256400000000, 0.0555067900000000, 0.5900253200000000 ] - [ -0.0001335600000000, -0.0019808500000000, 0.0064045400000000 ] - [ 0.0365273000000000, 0.0050604100000000, -0.0606127200000000 ] - [ 0.0002945500000000, 0.0005203500000000, 0.0043549800000000 ] - [ 0.0022459700000000, 0.0000976400000000, -0.0081689400000000 ] - [ 0.0007848100000000, -0.0008221800000000, -0.0040234200000000 ] - [ 0.0006728000000000, 0.0034367100000000, -0.0021163800000000 ] - [ 0.0004306800000000, -0.0038518000000000, -0.0027578200000000 ] - [ -0.0009600700000000, 0.0011875800000000, -0.0124637400000000 ] - [ -0.0006762400000000, -0.0017391000000000, -0.0045390000000000 ] - [ -0.0003691400000000, 0.0001651200000000, -0.0051496900000000 ] - [ -0.0001367200000000, -0.0007079900000000, -0.0050862300000000 ] - [ -0.0055856800000000, -0.0016657500000000, 0.0019669100000000 ] - [ -0.0029751100000000, 0.0019219100000000, 0.0015016000000000 ] - [ 0.0041905300000000, 0.0001248600000000, 0.0102082100000000 ] - [ 0.0029718700000000, -0.0016727600000000, 0.0075171900000000 ] - [ -0.0015639400000000, -0.0084105100000000, 0.0134724300000000 ] - [ -0.0007549700000000, 0.0015029800000000, -0.0007494900000000 ] - [ 0.0003732700000000, -0.0014725500000000, -0.0005935900000000 ] - [ 0.0013618000000000, 0.0028176700000000, 0.0017513900000000 ] - [ -0.0002410000000000, 0.0002774700000000, 0.0026810200000000 ] - [ -0.0003522800000000, 0.0008597400000000, 0.0019386000000000 ] - [ -0.0105464100000000, -0.0003127900000000, 0.0058427200000000 ] - [ 0.0000085400000000, -0.0002318100000000, -0.0011833400000000 ] - [ 0.0045794900000000, 0.0019523300000000, 0.0016742900000000 ] - [ 0.0018202700000000, -0.0012621800000000, 0.0006983100000000 ] - [ 0.0000679600000000, 0.0007370200000000, 0.0030350900000000 ] - [ 0.0002419400000000, 0.0010146300000000, 0.0023388100000000 ] - [ -0.0034891400000000, 0.0084514900000000, 0.0127590600000000 ] - [ -0.0006285500000000, -0.0022038000000000, -0.0014903100000000 ] - [ -0.0000079500000000, -0.0004757700000000, 0.0020866700000000 ] - [ -0.0000257200000000, -0.0004959000000000, 0.0020046000000000 ] - [ -0.0011149500000000, -0.0014764300000000, 0.0012301000000000 ] - [ -0.0010049200000000, 0.0015045800000000, 0.0012029700000000 ] - [ 0.0012050700000000, 0.0005734800000000, 0.0005040900000000 ] - [ 0.0011327200000000, -0.0009599500000000, 0.0001565900000000 ] - [ 0.0017268000000000, 0.0018339900000000, 0.0009666000000000 ] - [ 0.0008850200000000, -0.0007795100000000, 0.0010982100000000 ] - [ -0.0005092500000000, -0.0019361100000000, 0.0059997500000000 ] - [ -0.0000392100000000, -0.0017932500000000, 0.0031125200000000 ] - [ -0.0059104900000000, 0.0027860800000000, -0.0037293100000000 ] - [ -0.0040330900000000, -0.0010280500000000, -0.0029208000000000 ] - [ 0.0009803100000000, -0.0029243400000000, 0.0021872400000000 ] - [ 0.0002279100000000, 0.0011728000000000, 0.0003775100000000 ] - [ -0.0015272500000000, 0.0017760000000000, -0.0050521700000000 ] - [ -0.0014322500000000, 0.0007782300000000, -0.0028937300000000 ] - [ 0.0307743300000000, -0.1299096900000000, -0.2591190600000000 ] - [ 0.0001460800000000, -0.0008521900000000, -0.0017475500000000 ] - [ -0.0010762500000000, -0.0038894600000000, -0.0066796000000000 ] - [ -0.0005231300000000, -0.0008347000000000, -0.0042734100000000 ] - [ 0.0004140300000000, 0.0001568700000000, 0.0034469200000000 ] - [ 0.0004743200000000, 0.0003718500000000, 0.0020056000000000 ] - [ -0.0005771900000000, -0.0002658600000000, 0.0056335000000000 ] - [ -0.0005162100000000, 0.0003349800000000, 0.0007973000000000 ] - [ 0.0013024100000000, 0.0029919300000000, -0.0049513000000000 ] - [ 0.0074166700000000, 0.0324388500000000, -0.0679972100000000 ] - [ 0.0020209000000000, -0.0003075800000000, 0.0033300600000000 ] - [ 0.0009453000000000, 0.0004395000000000, 0.0010708800000000 ] - [ -0.0863094100000000, 0.0189946100000000, -0.1510701200000000 ] - [ -0.0011374300000000, 0.0004619200000000, -0.0024463700000000 ] - [ -0.0005343300000000, -0.0011626500000000, 0.0060629800000000 ] - [ -0.0006487500000000, 0.0034353600000000, 0.0038786200000000 ] - [ 0.0634250100000000, 0.0237363400000000, -0.0684970000000000 ] - [ 0.0015830500000000, 0.0004399500000000, -0.0042627800000000 ] - [ 0.0012405100000000, -0.0005698800000000, 0.0021730900000000 ] - [ 0.0011825200000000, 0.0008922900000000, 0.0020492900000000 ] - [ 0.0011219400000000, 0.0002622100000000, -0.0031288900000000 ] - [ 0.0010137400000000, 0.0002554000000000, -0.0019518200000000 ] - [ -0.0005484300000000, -0.0004304400000000, 0.0029189800000000 ] - [ -0.0007656200000000, 0.0006601100000000, 0.0032124100000000 ] - [ -0.0028849200000000, 0.0002540400000000, 0.0061706600000000 ] - [ -0.0015296700000000, 0.0007054200000000, 0.0029401300000000 ]- atom: 27 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ 0.0009353000000000, 0.0000746500000000, 0.0000407000000000 ] - [ 0.0003546700000000, 0.0000198800000000, -0.0000415400000000 ] - [ -0.0002020700000000, 0.0000119100000000, -0.0001925400000000 ] - [ -0.0002455200000000, -0.0001417400000000, -0.0001942600000000 ] - [ 0.0034021400000000, 0.0000908000000000, -0.0085228500000000 ] - [ -0.0003685100000000, 0.0000277700000000, -0.0005972600000000 ] - [ 0.0000866300000000, -0.0000406200000000, 0.0006519600000000 ] - [ 0.0001099100000000, -0.0000437200000000, 0.0006443200000000 ] - [ 0.0046692500000000, -0.0038827300000000, -0.0001288800000000 ] - [ 0.0035204300000000, 0.0030312200000000, 0.0004212000000000 ] - [ -0.0021845900000000, 0.0001586500000000, -0.0002784100000000 ] - [ -0.0003795600000000, 0.0000035300000000, 0.0000166600000000 ] - [ -0.0054005800000000, 0.0078974000000000, 0.0021748700000000 ] - [ -0.0049387200000000, -0.0077551900000000, 0.0022479500000000 ] - [ 0.0104503100000000, 0.0004765100000000, 0.0074454700000000 ] - [ 0.0009128200000000, -0.0000345900000000, -0.0002615500000000 ] - [ 0.0010809400000000, -0.0010411000000000, -0.0014352400000000 ] - [ 0.0011191900000000, 0.0016476100000000, -0.0018244800000000 ] - [ -0.0045169600000000, -0.0041401200000000, 0.0035200300000000 ] - [ -0.0049484600000000, 0.0023636900000000, 0.0041026900000000 ] - [ -0.0000663600000000, 0.0003988300000000, 0.0003187300000000 ] - [ -0.0001419100000000, 0.0003731600000000, 0.0003003700000000 ] - [ 0.0331437200000000, -0.0002784400000000, 0.0100926400000000 ] - [ 0.0004849000000000, -0.0003278100000000, 0.0002547800000000 ] - [ 0.0207714100000000, 0.0043876600000000, -0.0306917300000000 ] - [ 0.0000914100000000, -0.0007121100000000, 0.0004174000000000 ] - [ -0.6802570600000000, -0.0111433200000000, -0.0854540200000000 ] - [ -0.0035329900000000, 0.0000820300000000, -0.0025355000000000 ] - [ -0.0010132700000000, -0.0000027000000000, 0.0014951900000000 ] - [ -0.0001857800000000, 0.0005136800000000, 0.0013845600000000 ] - [ 0.0036832300000000, 0.0057544000000000, -0.0027667500000000 ] - [ 0.0036846700000000, -0.0053527300000000, -0.0031041400000000 ] - [ 0.0002597400000000, -0.0000014400000000, -0.0011353700000000 ] - [ 0.0000362900000000, 0.0001101700000000, -0.0001447700000000 ] - [ 0.0043265500000000, -0.0003623100000000, 0.0000589900000000 ] - [ 0.0042097000000000, -0.0004178900000000, -0.0002299100000000 ] - [ -0.0016957100000000, -0.0000586200000000, 0.0021845200000000 ] - [ -0.0016952100000000, 0.0001298800000000, 0.0019850600000000 ] - [ 0.0002415400000000, 0.0026255600000000, 0.0051405100000000 ] - [ 0.0018192900000000, -0.0054519300000000, 0.0028811900000000 ] - [ 0.1089092900000000, -0.0929105300000000, 0.0543281500000000 ] - [ 0.0005838300000000, -0.0017109600000000, 0.0010971100000000 ] - [ -0.0009677700000000, -0.0016595500000000, -0.0007524300000000 ] - [ -0.0044145300000000, 0.0037108800000000, 0.0020507000000000 ] - [ -0.0023102500000000, 0.0001726000000000, -0.0001671900000000 ] - [ -0.0014134300000000, 0.0000386900000000, 0.0001630300000000 ] - [ 0.3771663300000000, 0.0030955200000000, 0.0142172600000000 ] - [ 0.0024878400000000, -0.0000482700000000, 0.0004685700000000 ] - [ 0.0007081400000000, 0.0002434200000000, 0.0001286200000000 ] - [ 0.0007038000000000, -0.0001145600000000, 0.0002034900000000 ] - [ 0.0014697600000000, -0.0003225000000000, -0.0007991900000000 ] - [ 0.0011013600000000, -0.0006144400000000, -0.0014015100000000 ] - [ 0.1080995200000000, 0.0997495200000000, 0.0366388900000000 ] - [ 0.0007374200000000, 0.0011756700000000, 0.0006109900000000 ] - [ -0.0008406800000000, 0.0005847000000000, -0.0009397900000000 ] - [ -0.0009012200000000, 0.0004699500000000, -0.0007473900000000 ] - [ -0.0003480900000000, -0.0041993600000000, 0.0028103400000000 ] - [ -0.0003906500000000, 0.0041875400000000, 0.0027180000000000 ] - [ 0.0007207200000000, 0.0002315300000000, -0.0008681600000000 ] - [ 0.0006829500000000, 0.0000853100000000, -0.0008477500000000 ] - [ 0.0007294700000000, 0.0003171600000000, -0.0000653000000000 ] - [ 0.0008478400000000, 0.0003028700000000, -0.0000087100000000 ] - [ 0.0028307400000000, -0.0001356900000000, -0.0006651300000000 ] - [ 0.0005129800000000, 0.0007106500000000, -0.0001300700000000 ] - [ -0.0015769000000000, -0.0000579200000000, -0.0021082200000000 ] - [ -0.0022474600000000, 0.0011944300000000, -0.0017204100000000 ] - [ -0.0040938200000000, -0.0041189700000000, 0.0027460300000000 ] - [ -0.0009248300000000, 0.0014112000000000, 0.0002283500000000 ] - [ -0.0030391200000000, 0.0040123800000000, -0.0044668800000000 ] - [ -0.0004657500000000, -0.0011824500000000, -0.0008028700000000 ] - [ -0.0010007600000000, 0.0024416900000000, 0.0038983600000000 ] - [ 0.0000108000000000, 0.0005129500000000, 0.0009075300000000 ] - [ -0.0024740000000000, -0.0047329200000000, -0.0047382200000000 ] - [ -0.0010409200000000, 0.0010236500000000, -0.0013425600000000 ] - [ 0.0000174400000000, 0.0000529600000000, -0.0000126500000000 ] - [ -0.0002384600000000, -0.0000311900000000, -0.0001618600000000 ] - [ -0.0006118700000000, 0.0004449100000000, -0.0001575700000000 ] - [ -0.0005571300000000, 0.0002842800000000, -0.0003723600000000 ] - [ 0.0007264800000000, 0.0009594700000000, 0.0001281700000000 ] - [ -0.0012200900000000, -0.0049348100000000, 0.0044068400000000 ] - [ 0.0004581400000000, 0.0000538700000000, 0.0001205800000000 ] - [ 0.0004763600000000, 0.0000305600000000, -0.0001723600000000 ] - [ -0.0113225300000000, -0.0005116300000000, 0.0050340200000000 ] - [ -0.0006571900000000, 0.0000832400000000, 0.0002804600000000 ] - [ -0.0006389700000000, 0.0000734000000000, 0.0007955400000000 ] - [ -0.0006022000000000, 0.0000361100000000, 0.0004137300000000 ] - [ 0.0522843500000000, -0.0001190400000000, -0.0175566500000000 ] - [ 0.0004015500000000, 0.0001001700000000, 0.0001043700000000 ] - [ -0.0028595000000000, 0.0005810200000000, -0.0016558300000000 ] - [ -0.0024323100000000, -0.0008938600000000, -0.0014306800000000 ] - [ 0.0012107100000000, -0.0002019200000000, -0.0016716900000000 ] - [ 0.0013147900000000, 0.0009166300000000, -0.0012856900000000 ] - [ -0.0019375500000000, -0.0003974800000000, 0.0027146700000000 ] - [ -0.0020091100000000, 0.0008335200000000, 0.0027188500000000 ] - [ 0.0005533400000000, -0.0000419600000000, -0.0003998100000000 ] - [ 0.0001702900000000, -0.0001723100000000, -0.0007243300000000 ]- atom: 27 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ -0.0008241800000000, -0.0001236200000000, -0.0007293700000000 ] - [ -0.0002425100000000, -0.0000698000000000, -0.0006494900000000 ] - [ 0.0000621700000000, -0.0000935300000000, 0.0003757900000000 ] - [ 0.0001064900000000, 0.0000598700000000, 0.0003781900000000 ] - [ -0.0032502800000000, -0.0000090000000000, 0.0082980900000000 ] - [ 0.0005021800000000, 0.0000540700000000, 0.0004105400000000 ] - [ -0.0001972500000000, -0.0000091400000000, 0.0000393300000000 ] - [ -0.0002205600000000, -0.0000059100000000, 0.0000475700000000 ] - [ -0.0047959400000000, 0.0039786100000000, 0.0008364700000000 ] - [ -0.0036373400000000, -0.0030157700000000, 0.0002778500000000 ] - [ 0.0023184900000000, -0.0002383000000000, 0.0000816300000000 ] - [ 0.0005174900000000, -0.0000854400000000, -0.0002026900000000 ] - [ 0.0052368000000000, -0.0078031100000000, -0.0019729200000000 ] - [ 0.0047776000000000, 0.0078216700000000, -0.0020446000000000 ] - [ -0.0104387000000000, -0.0004365800000000, -0.0082698500000000 ] - [ -0.0007962400000000, 0.0000851200000000, -0.0004299500000000 ] - [ -0.0005168100000000, 0.0018123500000000, 0.0012295900000000 ] - [ -0.0005566100000000, -0.0008732200000000, 0.0016198600000000 ] - [ 0.0050980500000000, 0.0033826400000000, -0.0037479900000000 ] - [ 0.0055239300000000, -0.0031429500000000, -0.0043148600000000 ] - [ -0.0004919900000000, 0.0003741900000000, -0.0001228500000000 ] - [ -0.0004166500000000, 0.0004019100000000, -0.0000999100000000 ] - [ -0.0336958100000000, -0.0004894000000000, -0.0098748400000000 ] - [ -0.0010515700000000, -0.0004459700000000, -0.0000436300000000 ] - [ -0.0207113000000000, -0.0044945600000000, 0.0315180400000000 ] - [ -0.0003469000000000, 0.0006471700000000, 0.0000632000000000 ] - [ 0.6539277000000000, 0.0109521700000000, 0.0851569500000000 ] - [ 0.0043776900000000, -0.0001112200000000, 0.0018049000000000 ] - [ 0.0007479400000000, 0.0000684200000000, -0.0010091900000000 ] - [ -0.0000798700000000, -0.0004442900000000, -0.0009020600000000 ] - [ -0.0045342600000000, -0.0057690500000000, 0.0034897500000000 ] - [ -0.0045354900000000, 0.0053029100000000, 0.0038213200000000 ] - [ 0.0005876400000000, 0.0000335800000000, 0.0004087000000000 ] - [ 0.0008098100000000, -0.0000788000000000, -0.0005809200000000 ] - [ -0.0040657300000000, 0.0003054100000000, -0.0005482600000000 ] - [ -0.0039448500000000, 0.0003480100000000, -0.0002572100000000 ] - [ 0.0008457700000000, 0.0000877100000000, -0.0014625500000000 ] - [ 0.0008457800000000, -0.0000963100000000, -0.0012601200000000 ] - [ 0.0000168400000000, -0.0025574300000000, -0.0056087900000000 ] - [ -0.0015599700000000, 0.0055127000000000, -0.0033546500000000 ] - [ -0.1094873700000000, 0.0949893700000000, -0.0547223100000000 ] - [ -0.0016503200000000, 0.0017462100000000, -0.0003284300000000 ] - [ 0.0020338000000000, 0.0016965800000000, -0.0000144500000000 ] - [ 0.0054961500000000, -0.0036537900000000, -0.0028149000000000 ] - [ 0.0012101400000000, -0.0001967300000000, 0.0004350000000000 ] - [ 0.0003105800000000, -0.0000536500000000, 0.0000967900000000 ] - [ -0.3509193400000000, -0.0029521100000000, -0.0131151700000000 ] - [ -0.0020310000000000, -0.0000551800000000, -0.0007691100000000 ] - [ -0.0011603200000000, -0.0001392000000000, 0.0001726400000000 ] - [ -0.0011550000000000, 0.0002163400000000, 0.0000966800000000 ] - [ -0.0003648700000000, 0.0003390400000000, 0.0005369100000000 ] - [ 0.0000054700000000, 0.0006275600000000, 0.0011358800000000 ] - [ -0.1086666500000000, -0.1028418100000000, -0.0383903400000000 ] - [ -0.0018282900000000, -0.0021041400000000, -0.0015382100000000 ] - [ 0.0005242200000000, 0.0004225400000000, -0.0005464900000000 ] - [ 0.0005840700000000, 0.0005420900000000, -0.0007419700000000 ] - [ -0.0000967900000000, 0.0040868200000000, -0.0025070100000000 ] - [ -0.0000525800000000, -0.0042797800000000, -0.0024142000000000 ] - [ 0.0003427300000000, -0.0002749900000000, 0.0001035300000000 ] - [ 0.0003798300000000, -0.0001298900000000, 0.0000816400000000 ] - [ 0.0003571900000000, 0.0006158200000000, 0.0009962900000000 ] - [ 0.0002392700000000, 0.0006272400000000, 0.0009395900000000 ] - [ -0.0025173900000000, -0.0008781100000000, 0.0021467900000000 ] - [ -0.0001957000000000, -0.0017159300000000, 0.0016213200000000 ] - [ 0.0013573700000000, 0.0001905300000000, 0.0015389500000000 ] - [ 0.0020267500000000, -0.0010606500000000, 0.0011507900000000 ] - [ 0.0051969800000000, 0.0031748500000000, -0.0018165300000000 ] - [ 0.0020135100000000, -0.0023367800000000, 0.0007015500000000 ] - [ 0.0019421200000000, -0.0039892300000000, 0.0047211800000000 ] - [ -0.0006356500000000, 0.0012004500000000, 0.0010588700000000 ] - [ 0.0012135400000000, -0.0014247700000000, -0.0023694700000000 ] - [ 0.0003048600000000, 0.0004996400000000, 0.0005866900000000 ] - [ 0.0021639900000000, 0.0037155400000000, 0.0032348700000000 ] - [ 0.0007294200000000, -0.0020368700000000, -0.0001549000000000 ] - [ 0.0001987100000000, 0.0000808900000000, 0.0005773300000000 ] - [ 0.0004580300000000, 0.0001635200000000, 0.0007288700000000 ] - [ -0.0004738900000000, 0.0004868900000000, -0.0007710900000000 ] - [ -0.0005282400000000, 0.0006458700000000, -0.0005561500000000 ] - [ 0.0003710300000000, -0.0009759300000000, -0.0003885700000000 ] - [ 0.0022469200000000, 0.0048768200000000, -0.0046659000000000 ] - [ -0.0000030300000000, 0.0000491100000000, -0.0004176000000000 ] - [ -0.0000221900000000, 0.0000725500000000, -0.0001259400000000 ] - [ 0.0115466800000000, 0.0004096200000000, -0.0046608200000000 ] - [ 0.0008738700000000, -0.0002164000000000, 0.0002831700000000 ] - [ -0.0004233900000000, -0.0001171500000000, -0.0000283000000000 ] - [ -0.0004597900000000, -0.0000790100000000, 0.0003532900000000 ] - [ -0.0525821200000000, 0.0000430700000000, 0.0169149300000000 ] - [ -0.0009908300000000, -0.0002495000000000, -0.0008527400000000 ] - [ 0.0026381200000000, -0.0007246400000000, 0.0011007200000000 ] - [ 0.0022066500000000, 0.0007691400000000, 0.0008704600000000 ] - [ -0.0006202300000000, 0.0003530400000000, 0.0024243300000000 ] - [ -0.0007265500000000, -0.0007683200000000, 0.0020372100000000 ] - [ 0.0025241000000000, 0.0002461200000000, -0.0019599500000000 ] - [ 0.0025926000000000, -0.0009773200000000, -0.0019620200000000 ] - [ -0.0011363900000000, 0.0001906000000000, -0.0003552900000000 ] - [ -0.0007523400000000, 0.0003188900000000, -0.0000294900000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000609100000000, -0.0005828800000000, -0.0004361300000000 ] - [ 0.0000511000000000, 0.0005150900000000, -0.0002638700000000 ] - [ -0.0001668900000000, -0.0000318800000000, -0.0003775300000000 ] - [ 0.0000113300000000, -0.0000426900000000, 0.0005510800000000 ] - [ 0.0001702400000000, -0.0033245900000000, -0.0000927000000000 ] - [ 0.0001687000000000, 0.0021505900000000, -0.0001030600000000 ] - [ 0.0000227900000000, 0.0000401900000000, -0.0000383800000000 ] - [ -0.0001185600000000, -0.0000756600000000, 0.0007061100000000 ] - [ -0.0059493900000000, 0.0040514400000000, 0.0027470000000000 ] - [ 0.0053475000000000, 0.0044506500000000, -0.0017501300000000 ] - [ 0.0001962600000000, -0.0009377300000000, 0.0000197500000000 ] - [ 0.0001065400000000, 0.0007162700000000, 0.0000215800000000 ] - [ 0.0072929200000000, 0.0116647900000000, 0.0078010700000000 ] - [ -0.0077749800000000, 0.0115439900000000, -0.0077334200000000 ] - [ 0.0007587200000000, -0.0090374100000000, 0.0009251900000000 ] - [ -0.0000585100000000, 0.0026541000000000, -0.0004924000000000 ] - [ 0.0001246100000000, 0.0000914100000000, 0.0009905600000000 ] - [ 0.0004215000000000, 0.0010474400000000, -0.0011303900000000 ] - [ 0.0028948500000000, 0.0152643700000000, -0.0159190400000000 ] - [ -0.0025285900000000, 0.0131935700000000, 0.0180427800000000 ] - [ -0.0001939200000000, -0.0012001800000000, -0.0000050600000000 ] - [ -0.0003111500000000, 0.0020158600000000, 0.0002080400000000 ] - [ -0.0000717900000000, -0.0042167400000000, 0.0002545500000000 ] - [ -0.0004115100000000, 0.0034075300000000, 0.0000026300000000 ] - [ -0.0059608000000000, -0.0121150900000000, -0.0065459300000000 ] - [ 0.0000749400000000, 0.0049271300000000, -0.0002574800000000 ] - [ -0.0022339600000000, -0.6892002500000000, 0.0297865600000000 ] - [ 0.0005269900000000, 0.0140141400000000, -0.0013554500000000 ] - [ -0.0008270900000000, -0.0065684600000000, 0.0012528800000000 ] - [ 0.0006519000000000, 0.0054807300000000, -0.0013543500000000 ] - [ 0.0049239800000000, -0.0000898500000000, 0.0004464900000000 ] - [ -0.0061656500000000, -0.0000722900000000, 0.0005455300000000 ] - [ 0.0004419600000000, -0.0010924800000000, -0.0003626400000000 ] - [ 0.0003290300000000, 0.0010680900000000, -0.0001454900000000 ] - [ -0.0033954400000000, -0.0023813400000000, -0.0052059600000000 ] - [ 0.0028303600000000, 0.0015632900000000, 0.0040964500000000 ] - [ -0.0005041500000000, -0.0000142600000000, 0.0016609400000000 ] - [ -0.0003055700000000, 0.0000326300000000, -0.0010223500000000 ] - [ 0.0006735200000000, 0.0011171300000000, 0.0016664600000000 ] - [ -0.0004000100000000, -0.0010740300000000, -0.0023620500000000 ] - [ -0.1002198300000000, 0.2619883500000000, -0.1114444800000000 ] - [ 0.0002565900000000, -0.0098057700000000, 0.0021261500000000 ] - [ -0.0002510800000000, -0.0020069800000000, -0.0008404200000000 ] - [ 0.0005985000000000, 0.0018555500000000, -0.0001032800000000 ] - [ 0.0000563300000000, 0.0022623600000000, 0.0011638200000000 ] - [ -0.0012696200000000, -0.0021096000000000, -0.0011420500000000 ] - [ 0.0015693400000000, 0.0633214700000000, -0.0005488800000000 ] - [ 0.0001999900000000, -0.0041955700000000, -0.0000394400000000 ] - [ -0.0001873600000000, 0.0000974100000000, -0.0001910700000000 ] - [ -0.0002780400000000, -0.0000198300000000, 0.0005013900000000 ] - [ 0.0005213900000000, 0.0040343300000000, 0.0023603000000000 ] - [ 0.0007566900000000, -0.0043588400000000, -0.0029819600000000 ] - [ 0.0984788000000000, 0.2786378400000000, 0.0746623500000000 ] - [ -0.0014056700000000, -0.0103235700000000, -0.0017990000000000 ] - [ 0.0004876800000000, -0.0002052300000000, 0.0015434800000000 ] - [ -0.0006031500000000, 0.0012316800000000, -0.0026271500000000 ] - [ -0.0060640400000000, -0.0015316000000000, 0.0007660700000000 ] - [ 0.0059655400000000, -0.0014762800000000, -0.0007629300000000 ] - [ 0.0004502200000000, 0.0004951500000000, -0.0007146700000000 ] - [ 0.0005867400000000, -0.0005485500000000, -0.0000428700000000 ] - [ 0.0005212000000000, 0.0000194800000000, 0.0001473000000000 ] - [ 0.0005364700000000, 0.0009352800000000, 0.0007936800000000 ] - [ 0.0007226900000000, 0.0064281600000000, -0.0030721700000000 ] - [ -0.0001767600000000, -0.0054077700000000, 0.0033074600000000 ] - [ -0.0004212000000000, -0.0000133800000000, -0.0009766800000000 ] - [ 0.0002413400000000, 0.0001226800000000, 0.0004808200000000 ] - [ 0.0005595900000000, 0.0013943600000000, 0.0002290900000000 ] - [ 0.0014351300000000, -0.0024917500000000, 0.0008174900000000 ] - [ -0.0001696600000000, 0.0009812900000000, 0.0004890300000000 ] - [ -0.0009502400000000, -0.0009878400000000, -0.0001797900000000 ] - [ 0.0012015900000000, 0.0016671700000000, 0.0011702400000000 ] - [ 0.0001736400000000, -0.0012637800000000, 0.0002677900000000 ] - [ -0.0007161900000000, -0.0001834600000000, -0.0019724200000000 ] - [ 0.0006709100000000, -0.0007721700000000, 0.0006157400000000 ] - [ 0.0001751200000000, 0.0014940400000000, -0.0002345500000000 ] - [ -0.0001766200000000, -0.0011653400000000, 0.0004531300000000 ] - [ -0.0006364500000000, 0.0011604300000000, -0.0005629800000000 ] - [ -0.0004416400000000, -0.0001972300000000, -0.0004117800000000 ] - [ 0.0012681800000000, -0.0032050400000000, -0.0012377800000000 ] - [ 0.0010248200000000, 0.0081353100000000, 0.0030507000000000 ] - [ 0.0003219100000000, 0.0004861600000000, -0.0001707800000000 ] - [ 0.0002375600000000, -0.0003787000000000, -0.0001946900000000 ] - [ 0.0001732200000000, 0.0063219600000000, 0.0017016700000000 ] - [ 0.0003711800000000, -0.0025015600000000, 0.0005478100000000 ] - [ -0.0004280100000000, 0.0005341800000000, 0.0005799100000000 ] - [ -0.0006210600000000, -0.0005985400000000, 0.0001485700000000 ] - [ 0.0040893500000000, 0.0484916700000000, 0.0090002800000000 ] - [ -0.0011003700000000, -0.0031282700000000, 0.0001782600000000 ] - [ 0.0044651900000000, -0.0007172500000000, 0.0037952200000000 ] - [ -0.0038940200000000, -0.0016896900000000, -0.0036891500000000 ] - [ 0.0002466100000000, -0.0000198800000000, -0.0008938600000000 ] - [ 0.0002883900000000, 0.0001139000000000, 0.0017654200000000 ] - [ -0.0002195800000000, 0.0000234400000000, 0.0019046200000000 ] - [ 0.0011747500000000, -0.0000506200000000, -0.0013091600000000 ] - [ -0.0002376000000000, 0.0011964600000000, -0.0008639400000000 ] - [ -0.0000611300000000, -0.0010286600000000, -0.0003316600000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000539800000000, 0.0005337000000000, -0.0002546400000000 ] - [ 0.0000612600000000, -0.0005645700000000, -0.0004244000000000 ] - [ 0.0000287800000000, -0.0000520000000000, 0.0005645400000000 ] - [ -0.0001491500000000, -0.0000374500000000, -0.0003638100000000 ] - [ -0.0000416400000000, 0.0034054300000000, -0.0000959200000000 ] - [ -0.0000292800000000, -0.0020682200000000, -0.0000891000000000 ] - [ -0.0001348800000000, -0.0000917400000000, 0.0007329100000000 ] - [ 0.0000065000000000, 0.0000283700000000, -0.0000113900000000 ] - [ 0.0057986800000000, -0.0039951000000000, -0.0020569500000000 ] - [ -0.0054819000000000, -0.0044048700000000, 0.0024330400000000 ] - [ -0.0000632800000000, 0.0008586300000000, -0.0002133100000000 ] - [ 0.0000323200000000, -0.0007976200000000, -0.0002009000000000 ] - [ -0.0073388100000000, -0.0114127100000000, -0.0075065700000000 ] - [ 0.0077179300000000, -0.0116177800000000, 0.0080178000000000 ] - [ -0.0006308300000000, 0.0090866900000000, -0.0016100400000000 ] - [ 0.0001682400000000, -0.0026029600000000, -0.0002062500000000 ] - [ 0.0004351900000000, 0.0006666600000000, -0.0011893500000000 ] - [ 0.0001371000000000, -0.0002672900000000, 0.0009357800000000 ] - [ -0.0023645600000000, -0.0160228300000000, 0.0156290900000000 ] - [ 0.0030492200000000, -0.0139826600000000, -0.0183116800000000 ] - [ -0.0003646100000000, 0.0019749900000000, 0.0002162000000000 ] - [ -0.0002486400000000, -0.0012428800000000, 0.0000009900000000 ] - [ -0.0004348700000000, 0.0034388900000000, -0.0000315900000000 ] - [ -0.0001385900000000, -0.0041790300000000, 0.0002014500000000 ] - [ 0.0057484900000000, 0.0122038200000000, 0.0069322900000000 ] - [ -0.0003601600000000, -0.0049855000000000, 0.0007458400000000 ] - [ 0.0200776900000000, 0.6931509600000000, -0.0149296400000000 ] - [ 0.0003253300000000, -0.0140310100000000, 0.0006371700000000 ] - [ 0.0005518200000000, 0.0066281500000000, -0.0007567900000000 ] - [ -0.0009222100000000, -0.0054069100000000, 0.0018279400000000 ] - [ -0.0057304800000000, 0.0000413700000000, 0.0002696900000000 ] - [ 0.0053600200000000, 0.0000585400000000, 0.0001765000000000 ] - [ 0.0004066500000000, 0.0011263700000000, -0.0003598900000000 ] - [ 0.0005192700000000, -0.0010378100000000, -0.0005793000000000 ] - [ 0.0036832400000000, 0.0023015200000000, 0.0047307400000000 ] - [ -0.0025425200000000, -0.0016234300000000, -0.0045690200000000 ] - [ -0.0003467700000000, 0.0000401600000000, -0.0009192200000000 ] - [ -0.0005427800000000, 0.0000055800000000, 0.0017632200000000 ] - [ -0.0003998200000000, -0.0010594400000000, -0.0021274800000000 ] - [ 0.0006724600000000, 0.0011573300000000, 0.0018976400000000 ] - [ 0.0922779400000000, -0.2504464200000000, 0.1041301400000000 ] - [ -0.0013123000000000, 0.0098557500000000, -0.0013466500000000 ] - [ 0.0013073300000000, 0.0020549300000000, 0.0000784400000000 ] - [ 0.0004476000000000, -0.0018244700000000, -0.0006612400000000 ] - [ -0.0011649100000000, -0.0022730900000000, -0.0009131000000000 ] - [ 0.0001602900000000, 0.0020834700000000, 0.0013961900000000 ] - [ -0.0033680700000000, -0.0634792900000000, 0.0000726000000000 ] - [ 0.0002510000000000, 0.0040904400000000, -0.0002555500000000 ] - [ -0.0002658500000000, 0.0000088300000000, 0.0004867900000000 ] - [ -0.0001762600000000, 0.0001197200000000, -0.0002061300000000 ] - [ 0.0005850300000000, -0.0040057200000000, -0.0026174400000000 ] - [ 0.0003496700000000, 0.0043747200000000, 0.0027217400000000 ] - [ -0.1076823600000000, -0.2948949000000000, -0.0822913100000000 ] - [ 0.0003207300000000, 0.0093592100000000, 0.0008761800000000 ] - [ -0.0008080800000000, 0.0012246400000000, -0.0030450300000000 ] - [ 0.0002824000000000, -0.0002201600000000, 0.0011295000000000 ] - [ 0.0055766600000000, 0.0014281200000000, -0.0004486100000000 ] - [ -0.0064521000000000, 0.0013744400000000, 0.0010793500000000 ] - [ 0.0006115500000000, -0.0005321900000000, -0.0000583000000000 ] - [ 0.0004749800000000, 0.0005053600000000, -0.0007294000000000 ] - [ 0.0005657200000000, 0.0009141800000000, 0.0007779700000000 ] - [ 0.0005499000000000, -0.0000096300000000, 0.0001317700000000 ] - [ -0.0004006000000000, -0.0074559500000000, 0.0045561600000000 ] - [ 0.0004935400000000, 0.0043941900000000, -0.0018052000000000 ] - [ 0.0001949200000000, 0.0001508100000000, 0.0004009200000000 ] - [ -0.0004650100000000, 0.0000064500000000, -0.0010546600000000 ] - [ 0.0005147400000000, -0.0023123800000000, 0.0007041800000000 ] - [ -0.0003561100000000, 0.0015539900000000, 0.0001152700000000 ] - [ -0.0009342700000000, -0.0009733800000000, -0.0002343400000000 ] - [ -0.0001585500000000, 0.0010106700000000, 0.0004293700000000 ] - [ -0.0009386200000000, -0.0006371700000000, 0.0003966300000000 ] - [ 0.0001463500000000, 0.0022712100000000, 0.0012194700000000 ] - [ 0.0003902800000000, -0.0008237500000000, 0.0004690400000000 ] - [ -0.0009974400000000, -0.0002478900000000, -0.0021203200000000 ] - [ 0.0000433600000000, -0.0013587800000000, 0.0007956900000000 ] - [ 0.0003992400000000, 0.0012972000000000, 0.0001158400000000 ] - [ -0.0004506300000000, -0.0002255000000000, -0.0003682800000000 ] - [ -0.0006449200000000, 0.0011289100000000, -0.0005201400000000 ] - [ -0.0001537100000000, 0.0031821300000000, 0.0009697200000000 ] - [ 0.0001026600000000, -0.0082146000000000, -0.0033200500000000 ] - [ 0.0001342400000000, -0.0003838600000000, -0.0001293800000000 ] - [ 0.0002164900000000, 0.0004821000000000, -0.0001061000000000 ] - [ -0.0000099000000000, -0.0064722500000000, -0.0011355500000000 ] - [ -0.0001439000000000, 0.0023656100000000, 0.0000206500000000 ] - [ -0.0006347300000000, -0.0005811700000000, 0.0001846200000000 ] - [ -0.0004412000000000, 0.0005577500000000, 0.0006171000000000 ] - [ -0.0044546900000000, -0.0488365200000000, -0.0104408500000000 ] - [ 0.0005224800000000, 0.0029805200000000, -0.0009380500000000 ] - [ -0.0046973000000000, 0.0005999000000000, -0.0043722100000000 ] - [ 0.0036632600000000, 0.0015433500000000, 0.0031105500000000 ] - [ 0.0003435200000000, 0.0001734300000000, 0.0016356200000000 ] - [ 0.0002979000000000, 0.0000316900000000, -0.0010219900000000 ] - [ 0.0007893000000000, -0.0001671400000000, -0.0011373300000000 ] - [ -0.0006009900000000, -0.0001013700000000, 0.0020717800000000 ] - [ -0.0003448700000000, -0.0010461800000000, 0.0001009000000000 ] - [ -0.0005240800000000, 0.0011766600000000, -0.0004225400000000 ]- atom: 27 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ -0.0010792200000000, 0.0000309900000000, 0.0014715400000000 ] - [ -0.0000062700000000, -0.0001368200000000, 0.0001303400000000 ] - [ -0.0001534500000000, -0.0001119500000000, 0.0017526900000000 ] - [ -0.0001194800000000, 0.0000132900000000, 0.0015793500000000 ] - [ -0.0051112700000000, 0.0002178200000000, 0.0038442400000000 ] - [ -0.0000326600000000, -0.0001288500000000, 0.0001485000000000 ] - [ 0.0000112800000000, -0.0002251300000000, 0.0019241100000000 ] - [ -0.0000124700000000, 0.0000819800000000, 0.0018891200000000 ] - [ -0.0004920300000000, 0.0021123300000000, -0.0044189100000000 ] - [ 0.0002745000000000, -0.0014436600000000, -0.0036502200000000 ] - [ 0.0036540300000000, -0.0008066100000000, 0.0065357800000000 ] - [ 0.0002298600000000, -0.0000407500000000, 0.0000047500000000 ] - [ 0.0030892000000000, 0.0047829200000000, -0.0058644700000000 ] - [ 0.0030231900000000, -0.0041990400000000, -0.0049131200000000 ] - [ 0.0066825400000000, 0.0009953800000000, 0.0006997300000000 ] - [ 0.0002345000000000, -0.0002907900000000, -0.0006379600000000 ] - [ -0.0013314300000000, 0.0062809400000000, 0.0047862600000000 ] - [ -0.0010037300000000, -0.0039916500000000, 0.0053654000000000 ] - [ -0.0002580200000000, -0.0114052800000000, 0.0079776300000000 ] - [ 0.0007518200000000, 0.0087798800000000, 0.0054776300000000 ] - [ 0.0007340100000000, 0.0005462800000000, 0.0040308700000000 ] - [ -0.0000607800000000, 0.0000441800000000, 0.0026793700000000 ] - [ -0.0113461700000000, 0.0003082400000000, -0.0082706200000000 ] - [ -0.0006829400000000, -0.0008623600000000, -0.0028624400000000 ] - [ -0.0812676800000000, -0.0315573800000000, 0.0481845300000000 ] - [ 0.0004091600000000, 0.0019530100000000, -0.0043639500000000 ] - [ 0.1019460600000000, 0.0229635400000000, -0.3995346100000000 ] - [ -0.0005820900000000, -0.0010069800000000, -0.0058315100000000 ] - [ -0.0020598900000000, -0.0023928300000000, 0.0113714900000000 ] - [ -0.0007090100000000, 0.0005475200000000, 0.0039402000000000 ] - [ -0.0048569300000000, -0.0017442300000000, -0.0004261500000000 ] - [ -0.0045344000000000, 0.0013336200000000, -0.0003365900000000 ] - [ -0.0003041900000000, 0.0000241900000000, 0.0073655400000000 ] - [ 0.0007252000000000, -0.0002212900000000, 0.0030231400000000 ] - [ 0.0017712200000000, -0.0008236200000000, 0.0035884200000000 ] - [ 0.0008453300000000, 0.0007501400000000, 0.0027565900000000 ] - [ 0.0016656300000000, 0.0012812200000000, 0.0029961700000000 ] - [ 0.0014766800000000, -0.0013604700000000, 0.0024234700000000 ] - [ 0.0004657500000000, 0.0014482200000000, -0.0032123100000000 ] - [ -0.0009882400000000, -0.0024627200000000, -0.0024176300000000 ] - [ 0.0223313600000000, -0.0771583700000000, 0.0989536500000000 ] - [ -0.0003951400000000, -0.0013519900000000, 0.0023457600000000 ] - [ 0.0017340700000000, 0.0015520500000000, 0.0011804200000000 ] - [ 0.0020869300000000, -0.0002183000000000, 0.0014231000000000 ] - [ -0.0008780800000000, 0.0000804400000000, -0.0018303900000000 ] - [ -0.0007842000000000, -0.0007166500000000, -0.0010732200000000 ] - [ -0.0777744600000000, -0.0016313700000000, 0.0535536300000000 ] - [ 0.0008883500000000, 0.0001503200000000, 0.0014737200000000 ] - [ -0.0016942000000000, -0.0009722300000000, -0.0015944800000000 ] - [ -0.0016440500000000, 0.0009723000000000, -0.0014175800000000 ] - [ 0.0009657900000000, 0.0004547800000000, -0.0036008500000000 ] - [ 0.0007501700000000, -0.0008063700000000, -0.0018816600000000 ] - [ 0.0070212600000000, 0.0495651800000000, 0.0757390300000000 ] - [ -0.0001626500000000, 0.0022253200000000, 0.0020428000000000 ] - [ -0.0004484100000000, 0.0016728800000000, -0.0032579500000000 ] - [ -0.0003743700000000, 0.0008300600000000, -0.0026070700000000 ] - [ 0.0034252400000000, 0.0022566500000000, 0.0003323500000000 ] - [ 0.0028920500000000, -0.0021223200000000, 0.0002607300000000 ] - [ -0.0002071400000000, -0.0000613400000000, -0.0022682900000000 ] - [ -0.0001103600000000, 0.0011023300000000, -0.0017574500000000 ] - [ -0.0001490900000000, -0.0006173200000000, -0.0008925400000000 ] - [ -0.0001830100000000, 0.0008150500000000, -0.0012611500000000 ] - [ 0.0004311600000000, 0.0000962700000000, -0.0077596600000000 ] - [ 0.0003277200000000, 0.0011279200000000, -0.0012054400000000 ] - [ 0.0010317900000000, -0.0008548100000000, 0.0002654900000000 ] - [ 0.0013834500000000, 0.0009641000000000, -0.0002752800000000 ] - [ 0.0017929500000000, -0.0002297900000000, 0.0018849800000000 ] - [ 0.0017253000000000, -0.0015868700000000, 0.0017246500000000 ] - [ -0.0007855100000000, 0.0009565700000000, 0.0016805700000000 ] - [ -0.0005227200000000, -0.0009461000000000, 0.0013353200000000 ] - [ 0.0121205600000000, -0.0028657400000000, -0.0164057700000000 ] - [ 0.0001588000000000, 0.0014051600000000, 0.0019125100000000 ] - [ 0.0003448100000000, -0.0003703600000000, 0.0015009700000000 ] - [ 0.0002909600000000, 0.0009348500000000, 0.0013713700000000 ] - [ -0.0014766600000000, 0.0002590300000000, -0.0038004200000000 ] - [ -0.0003655900000000, -0.0000667200000000, -0.0012687600000000 ] - [ -0.0003783600000000, 0.0009693300000000, -0.0038591000000000 ] - [ -0.0005461100000000, 0.0015205700000000, -0.0023629400000000 ] - [ 0.0009462800000000, -0.0029516300000000, 0.0017317700000000 ] - [ 0.0110918500000000, 0.0208471900000000, -0.0085002200000000 ] - [ 0.0005424700000000, 0.0000046000000000, -0.0027409200000000 ] - [ 0.0000277300000000, 0.0001100100000000, -0.0012791100000000 ] - [ 0.0267815700000000, 0.0030096300000000, 0.0086746600000000 ] - [ 0.0008969000000000, -0.0003851400000000, 0.0023363200000000 ] - [ -0.0004755600000000, -0.0008514600000000, -0.0030423800000000 ] - [ -0.0005211000000000, -0.0009900200000000, -0.0014972000000000 ] - [ -0.0218017600000000, 0.0159952200000000, 0.1374764800000000 ] - [ -0.0017687000000000, -0.0002325100000000, 0.0033988100000000 ] - [ -0.0024328100000000, 0.0008821200000000, -0.0024074400000000 ] - [ -0.0015195400000000, -0.0010803500000000, -0.0015537600000000 ] - [ -0.0009766300000000, -0.0011058900000000, -0.0000908000000000 ] - [ 0.0000864700000000, 0.0006938200000000, 0.0000091400000000 ] - [ 0.0007686100000000, 0.0001802800000000, -0.0004674900000000 ] - [ 0.0011012900000000, -0.0005333800000000, -0.0003937300000000 ] - [ 0.0026748800000000, -0.0001449800000000, -0.0064045100000000 ] - [ 0.0007578100000000, -0.0000652800000000, -0.0030570600000000 ]- atom: 27 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ 0.0011904700000000, -0.0000785700000000, -0.0021671900000000 ] - [ 0.0001177700000000, 0.0000853200000000, -0.0008250900000000 ] - [ 0.0000190200000000, 0.0000337100000000, -0.0015672200000000 ] - [ -0.0000159000000000, -0.0000981800000000, -0.0013931100000000 ] - [ 0.0053125400000000, -0.0001335500000000, -0.0040584400000000 ] - [ 0.0001704000000000, 0.0002092900000000, -0.0003294900000000 ] - [ -0.0001254600000000, 0.0001799400000000, -0.0012357000000000 ] - [ -0.0001015900000000, -0.0001362000000000, -0.0012004200000000 ] - [ 0.0003798400000000, -0.0020544000000000, 0.0051017500000000 ] - [ -0.0003849200000000, 0.0014855700000000, 0.0043305700000000 ] - [ -0.0035102800000000, 0.0007267800000000, -0.0067043200000000 ] - [ -0.0000914200000000, -0.0000425100000000, -0.0001947100000000 ] - [ -0.0032258000000000, -0.0047167900000000, 0.0060132400000000 ] - [ -0.0031519800000000, 0.0042900400000000, 0.0050671000000000 ] - [ -0.0065894100000000, -0.0009423700000000, -0.0013619400000000 ] - [ -0.0001198400000000, 0.0003380000000000, -0.0000479500000000 ] - [ 0.0018870400000000, -0.0055053300000000, -0.0049987300000000 ] - [ 0.0015580500000000, 0.0047484100000000, -0.0055557900000000 ] - [ 0.0007943300000000, 0.0106798400000000, -0.0081417800000000 ] - [ -0.0002070700000000, -0.0096224300000000, -0.0056580900000000 ] - [ -0.0013009800000000, 0.0002282400000000, -0.0038265500000000 ] - [ -0.0004998300000000, 0.0007281500000000, -0.0024728500000000 ] - [ 0.0107446200000000, -0.0010746400000000, 0.0084758200000000 ] - [ 0.0001194300000000, 0.0000849600000000, 0.0030670700000000 ] - [ 0.0805748500000000, 0.0314972700000000, -0.0469443700000000 ] - [ -0.0006710700000000, -0.0020239800000000, 0.0048188800000000 ] - [ -0.0958357900000000, -0.0260614900000000, 0.3835595500000000 ] - [ 0.0014262100000000, 0.0009655100000000, 0.0050928800000000 ] - [ 0.0018095000000000, 0.0025309600000000, -0.0109850200000000 ] - [ 0.0004394300000000, -0.0004918900000000, -0.0034587900000000 ] - [ 0.0040179000000000, 0.0017118100000000, 0.0011708200000000 ] - [ 0.0036964200000000, -0.0013638700000000, 0.0010802700000000 ] - [ 0.0011581700000000, 0.0000129700000000, -0.0081197600000000 ] - [ 0.0001250800000000, 0.0002483500000000, -0.0037505000000000 ] - [ -0.0014988100000000, 0.0007662700000000, -0.0040499900000000 ] - [ -0.0005775900000000, -0.0008197700000000, -0.0032236000000000 ] - [ -0.0025094600000000, -0.0012448500000000, -0.0022792800000000 ] - [ -0.0023159400000000, 0.0013863100000000, -0.0017039700000000 ] - [ -0.0001943900000000, -0.0013851800000000, 0.0027099200000000 ] - [ 0.0012474800000000, 0.0025304700000000, 0.0019191900000000 ] - [ -0.0243160300000000, 0.0783763700000000, -0.0975818800000000 ] - [ -0.0006671500000000, 0.0013960800000000, -0.0015880200000000 ] - [ -0.0006758400000000, -0.0015079700000000, -0.0019525100000000 ] - [ -0.0010257800000000, 0.0002605100000000, -0.0021976500000000 ] - [ -0.0002292900000000, -0.0001053400000000, 0.0020797600000000 ] - [ -0.0003202900000000, 0.0006991700000000, 0.0013262400000000 ] - [ 0.0775930500000000, 0.0015279700000000, -0.0529998400000000 ] - [ -0.0004297800000000, -0.0002507400000000, -0.0017728900000000 ] - [ 0.0012384800000000, 0.0010718700000000, 0.0018954200000000 ] - [ 0.0011846500000000, -0.0008657900000000, 0.0017155900000000 ] - [ 0.0001354300000000, -0.0004646200000000, 0.0033534800000000 ] - [ 0.0003541400000000, 0.0008339600000000, 0.0016267700000000 ] - [ -0.0080868700000000, -0.0498936700000000, -0.0756441900000000 ] - [ -0.0009206800000000, -0.0031381800000000, -0.0029745900000000 ] - [ 0.0001306300000000, -0.0006587800000000, 0.0017549200000000 ] - [ 0.0000584900000000, 0.0001877100000000, 0.0011062100000000 ] - [ -0.0038848700000000, -0.0023659300000000, -0.0000470200000000 ] - [ -0.0033532800000000, 0.0020255100000000, 0.0000231300000000 ] - [ 0.0012709400000000, 0.0000113300000000, 0.0015066900000000 ] - [ 0.0011720800000000, -0.0011441600000000, 0.0009926900000000 ] - [ 0.0012345400000000, 0.0015468400000000, 0.0018244100000000 ] - [ 0.0012677500000000, 0.0001186900000000, 0.0021929500000000 ] - [ -0.0001111800000000, -0.0011191900000000, 0.0093557700000000 ] - [ -0.0000095700000000, -0.0021394900000000, 0.0026959600000000 ] - [ -0.0012503800000000, 0.0009875900000000, -0.0008249300000000 ] - [ -0.0015957700000000, -0.0008308300000000, -0.0002869300000000 ] - [ -0.0007135100000000, -0.0007015700000000, -0.0009671500000000 ] - [ -0.0006429100000000, 0.0006593800000000, -0.0008011300000000 ] - [ -0.0003124300000000, -0.0009408400000000, -0.0014087800000000 ] - [ -0.0005800700000000, 0.0009652200000000, -0.0010705100000000 ] - [ -0.0119276400000000, 0.0038865900000000, 0.0179969500000000 ] - [ 0.0001574000000000, -0.0003817700000000, -0.0004057400000000 ] - [ -0.0006545000000000, -0.0006357000000000, -0.0029812300000000 ] - [ -0.0006022200000000, -0.0019458400000000, -0.0028559100000000 ] - [ 0.0017131700000000, -0.0001373600000000, 0.0043976400000000 ] - [ 0.0005894900000000, 0.0002019600000000, 0.0018374000000000 ] - [ -0.0007080400000000, -0.0000439400000000, 0.0029405600000000 ] - [ -0.0005399900000000, -0.0005852300000000, 0.0014330500000000 ] - [ 0.0001566000000000, 0.0029309400000000, -0.0019773700000000 ] - [ -0.0099295900000000, -0.0208262000000000, 0.0081832700000000 ] - [ -0.0000929800000000, 0.0000974400000000, 0.0024455900000000 ] - [ 0.0004236500000000, -0.0000058200000000, 0.0009802100000000 ] - [ -0.0264290000000000, -0.0031263700000000, -0.0081089300000000 ] - [ -0.0006747900000000, 0.0002544600000000, -0.0017611500000000 ] - [ -0.0005872200000000, 0.0008077700000000, 0.0038142600000000 ] - [ -0.0005420600000000, 0.0009463200000000, 0.0022656500000000 ] - [ 0.0178592800000000, -0.0149331700000000, -0.1262873500000000 ] - [ 0.0011770600000000, 0.0000852300000000, -0.0041400500000000 ] - [ 0.0022063200000000, -0.0010174000000000, 0.0018223800000000 ] - [ 0.0012985000000000, 0.0009478200000000, 0.0009749200000000 ] - [ 0.0015550900000000, 0.0012510600000000, 0.0008544400000000 ] - [ 0.0004953500000000, -0.0005448300000000, 0.0007528900000000 ] - [ -0.0001811500000000, -0.0003304500000000, 0.0012102700000000 ] - [ -0.0005152400000000, 0.0003869600000000, 0.0011372400000000 ] - [ -0.0032794600000000, 0.0002890800000000, 0.0056823800000000 ] - [ -0.0013435200000000, 0.0002151500000000, 0.0023042200000000 ]- atom: 41 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ -0.0000878000000000, -0.0000997900000000, -0.0005031700000000 ] - [ -0.0000189800000000, 0.0000176900000000, -0.0004102100000000 ] - [ -0.0002262100000000, -0.0000480800000000, 0.0000346300000000 ] - [ -0.0001060500000000, -0.0000251400000000, 0.0000905900000000 ] - [ -0.0015539000000000, 0.0003337600000000, 0.0019193900000000 ] - [ -0.0000261600000000, 0.0000339500000000, 0.0000402600000000 ] - [ 0.0000280600000000, -0.0000243200000000, 0.0002009000000000 ] - [ -0.0000416100000000, -0.0000252000000000, 0.0002504500000000 ] - [ 0.0012500300000000, 0.0002022300000000, 0.0001274600000000 ] - [ -0.0001546600000000, -0.0002109800000000, 0.0004812100000000 ] - [ 0.0003110800000000, -0.0000649500000000, -0.0004991400000000 ] - [ 0.0002022700000000, -0.0000161500000000, -0.0001493800000000 ] - [ 0.0018965200000000, -0.0014879300000000, -0.0002834400000000 ] - [ 0.0005544300000000, 0.0015832800000000, -0.0003112700000000 ] - [ 0.0008761500000000, 0.0000294800000000, -0.0002988500000000 ] - [ -0.0000249900000000, 0.0005049400000000, -0.0004218000000000 ] - [ 0.0002370900000000, 0.0003087500000000, 0.0002451300000000 ] - [ 0.0001849300000000, 0.0004775900000000, -0.0001243400000000 ] - [ 0.0052363800000000, 0.0035237900000000, -0.0040716600000000 ] - [ 0.0013304700000000, -0.0002694800000000, 0.0001585100000000 ] - [ -0.0002649200000000, 0.0001469900000000, -0.0005935200000000 ] - [ -0.0002435600000000, 0.0006813700000000, -0.0002521700000000 ] - [ -0.0082820700000000, -0.0011630200000000, -0.0014322000000000 ] - [ -0.0008812700000000, -0.0000478400000000, 0.0002606100000000 ] - [ 0.0048378000000000, -0.0010223900000000, 0.0026515100000000 ] - [ 0.0003789600000000, 0.0009583000000000, 0.0006145900000000 ] - [ 0.1094318500000000, -0.0977032000000000, 0.0554038300000000 ] - [ 0.0015465900000000, 0.0007683400000000, 0.0001028200000000 ] - [ 0.0004084400000000, -0.0000620200000000, 0.0003596100000000 ] - [ 0.0000200800000000, 0.0001103100000000, 0.0003855500000000 ] - [ -0.0053676000000000, -0.0000990500000000, 0.0006087200000000 ] - [ -0.0019241300000000, 0.0007727100000000, 0.0012029100000000 ] - [ 0.0003191600000000, -0.0000875700000000, -0.0003474800000000 ] - [ 0.0003541100000000, 0.0001059100000000, -0.0003787900000000 ] - [ -0.0033571200000000, 0.0002756600000000, -0.0020720800000000 ] - [ -0.0008348500000000, -0.0001396700000000, -0.0003428400000000 ] - [ -0.0002326100000000, -0.0000654800000000, -0.0003593600000000 ] - [ -0.0002700100000000, 0.0000726400000000, -0.0002658400000000 ] - [ -0.0003356700000000, -0.0003387100000000, -0.0010751200000000 ] - [ -0.0002481600000000, 0.0013988000000000, -0.0009731300000000 ] - [ -0.1209756300000000, 0.1143689500000000, -0.0666112800000000 ] - [ -0.0007885600000000, -0.0003817900000000, 0.0002863000000000 ] - [ 0.0021962200000000, 0.0001491600000000, 0.0001180000000000 ] - [ 0.0022025900000000, -0.0003329700000000, -0.0012964800000000 ] - [ 0.0004480900000000, -0.0000850400000000, 0.0009961700000000 ] - [ -0.0003146600000000, -0.0000418600000000, 0.0001671200000000 ] - [ 0.0254480700000000, -0.0280598200000000, 0.0176375300000000 ] - [ -0.0004416500000000, -0.0001586700000000, -0.0003710700000000 ] - [ -0.0003693600000000, 0.0000833100000000, 0.0002760600000000 ] - [ -0.0003332800000000, 0.0000226600000000, 0.0002684000000000 ] - [ 0.0001636100000000, 0.0000352500000000, -0.0003181000000000 ] - [ 0.0004676800000000, 0.0000157000000000, -0.0001710700000000 ] - [ -0.0127164200000000, 0.0066005800000000, -0.0006515400000000 ] - [ -0.0019028600000000, -0.0016216800000000, -0.0006652000000000 ] - [ 0.0004681100000000, -0.0000276400000000, 0.0003772000000000 ] - [ 0.0000047800000000, 0.0006239600000000, -0.0006442600000000 ] - [ 0.0033508400000000, 0.0015786600000000, -0.0008222000000000 ] - [ 0.0003448400000000, -0.0008860400000000, -0.0004192000000000 ] - [ 0.0005054900000000, -0.0000646800000000, -0.0000860100000000 ] - [ 0.0005268200000000, -0.0001685500000000, -0.0001409100000000 ] - [ 0.0005259600000000, 0.0005535700000000, 0.0007213000000000 ] - [ 0.0005095400000000, 0.0005347400000000, 0.0007446900000000 ] - [ -0.0008971100000000, -0.0005066100000000, 0.0003733000000000 ] - [ 0.0001187600000000, -0.0002910400000000, 0.0005686300000000 ] - [ 0.0002783100000000, 0.0001068500000000, 0.0000321000000000 ] - [ 0.0003134800000000, -0.0002504200000000, 0.0000918300000000 ] - [ 0.0034772000000000, -0.0003421100000000, 0.0002222400000000 ] - [ 0.0009294200000000, -0.0008547300000000, 0.0004384100000000 ] - [ 0.0001053200000000, -0.0009120100000000, 0.0011918300000000 ] - [ -0.0003671900000000, 0.0002433000000000, 0.0003151000000000 ] - [ -0.0007042200000000, 0.0005894300000000, 0.0006046500000000 ] - [ 0.0001376200000000, 0.0001200700000000, 0.0004565600000000 ] - [ 0.0008705300000000, 0.0004217100000000, -0.0001763800000000 ] - [ 0.0001091000000000, -0.0009936300000000, -0.0006535900000000 ] - [ -0.0001886000000000, 0.0001309000000000, 0.0002405300000000 ] - [ 0.0000049600000000, 0.0000065500000000, 0.0002838400000000 ] - [ -0.0005026300000000, 0.0005290500000000, -0.0004540400000000 ] - [ -0.0005050100000000, 0.0003912900000000, -0.0004224100000000 ] - [ 0.0000595800000000, -0.0006648900000000, -0.0007513800000000 ] - [ -0.0005495600000000, 0.0000999100000000, -0.0001224200000000 ] - [ 0.0003142800000000, 0.0001006300000000, -0.0000522900000000 ] - [ 0.0002893600000000, 0.0000056900000000, -0.0000897800000000 ] - [ 0.0010094600000000, 0.0019716200000000, -0.0031497100000000 ] - [ 0.0000795300000000, -0.0007168000000000, -0.0000244700000000 ] - [ -0.0004757100000000, 0.0000345000000000, 0.0004293000000000 ] - [ -0.0004985600000000, -0.0000576100000000, 0.0003870100000000 ] - [ -0.0118549400000000, 0.0006286100000000, -0.0016202000000000 ] - [ -0.0007314400000000, -0.0003889700000000, -0.0003890000000000 ] - [ 0.0020685000000000, -0.0016585000000000, 0.0027658700000000 ] - [ 0.0000899300000000, 0.0004508700000000, -0.0000512300000000 ] - [ 0.0003064300000000, 0.0001942500000000, 0.0009057600000000 ] - [ 0.0000650800000000, -0.0001556200000000, 0.0008897000000000 ] - [ 0.0021685800000000, -0.0003039600000000, -0.0005862000000000 ] - [ 0.0009521000000000, -0.0001409700000000, -0.0002525500000000 ] - [ -0.0004157300000000, 0.0001141900000000, -0.0003842200000000 ] - [ -0.0002991400000000, 0.0000551500000000, -0.0003851200000000 ]- atom: 41 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ 0.0001978700000000, 0.0000505500000000, -0.0001877500000000 ] - [ 0.0001310800000000, -0.0000686500000000, -0.0002811900000000 ] - [ 0.0000907200000000, -0.0000331900000000, 0.0001542000000000 ] - [ -0.0000303200000000, -0.0000564200000000, 0.0000966700000000 ] - [ 0.0016959400000000, -0.0002473400000000, -0.0020961400000000 ] - [ 0.0001662300000000, 0.0000444600000000, -0.0002245100000000 ] - [ -0.0001412300000000, -0.0000249900000000, 0.0004915800000000 ] - [ -0.0000711000000000, -0.0000246800000000, 0.0004413200000000 ] - [ -0.0014991600000000, -0.0000512300000000, 0.0006386700000000 ] - [ 0.0000270200000000, 0.0002548000000000, 0.0002099700000000 ] - [ -0.0001666600000000, -0.0000169200000000, 0.0003223400000000 ] - [ -0.0000640600000000, -0.0000662800000000, -0.0000355600000000 ] - [ -0.0019980500000000, 0.0016034500000000, 0.0005053900000000 ] - [ -0.0006748900000000, -0.0015059300000000, 0.0005021800000000 ] - [ -0.0009097100000000, -0.0000740200000000, -0.0004928400000000 ] - [ 0.0001332500000000, -0.0004610800000000, -0.0002683300000000 ] - [ 0.0003201900000000, 0.0004731800000000, -0.0004473700000000 ] - [ 0.0003727300000000, 0.0002899000000000, -0.0000721100000000 ] - [ -0.0047397400000000, -0.0043068100000000, 0.0038871900000000 ] - [ -0.0007629100000000, -0.0005258800000000, -0.0003964900000000 ] - [ -0.0002960500000000, 0.0006297500000000, 0.0008059100000000 ] - [ -0.0003175900000000, 0.0000895100000000, 0.0004605300000000 ] - [ 0.0077064500000000, 0.0003947300000000, 0.0016191500000000 ] - [ 0.0003249000000000, -0.0007340200000000, -0.0000593300000000 ] - [ -0.0052740600000000, 0.0009397500000000, -0.0021484200000000 ] - [ -0.0006535200000000, -0.0010322700000000, -0.0001435600000000 ] - [ -0.1089601200000000, 0.0955486100000000, -0.0548699600000000 ] - [ -0.0006898600000000, -0.0008146700000000, -0.0008213500000000 ] - [ -0.0006755900000000, 0.0001394100000000, 0.0001055700000000 ] - [ -0.0002870600000000, -0.0000518600000000, 0.0000894500000000 ] - [ 0.0045254000000000, 0.0000545400000000, 0.0001260500000000 ] - [ 0.0010872500000000, -0.0007896100000000, -0.0004704000000000 ] - [ 0.0005312600000000, 0.0001207900000000, -0.0003759000000000 ] - [ 0.0004963200000000, -0.0000761800000000, -0.0003455900000000 ] - [ 0.0036268500000000, -0.0003463400000000, 0.0016113500000000 ] - [ 0.0010954600000000, 0.0000774200000000, -0.0001323500000000 ] - [ -0.0006122200000000, 0.0000985500000000, 0.0010860800000000 ] - [ -0.0005745700000000, -0.0000425500000000, 0.0009937700000000 ] - [ 0.0006056900000000, 0.0003995400000000, 0.0005849800000000 ] - [ 0.0005125800000000, -0.0013261400000000, 0.0004923800000000 ] - [ 0.1201647200000000, -0.1120059100000000, 0.0659324400000000 ] - [ -0.0002759200000000, 0.0004417800000000, 0.0004797200000000 ] - [ -0.0011374700000000, -0.0000971500000000, -0.0008856600000000 ] - [ -0.0011425400000000, 0.0003622800000000, 0.0005277500000000 ] - [ -0.0015544200000000, 0.0000699000000000, -0.0007483400000000 ] - [ -0.0007881200000000, 0.0000248300000000, 0.0000892300000000 ] - [ -0.0244374300000000, 0.0274347400000000, -0.0175993000000000 ] - [ 0.0008887700000000, 0.0000604000000000, 0.0000721600000000 ] - [ -0.0000854500000000, 0.0000181300000000, 0.0000221700000000 ] - [ -0.0001208400000000, 0.0000813000000000, 0.0000295100000000 ] - [ 0.0009392700000000, -0.0000233000000000, 0.0000629800000000 ] - [ 0.0006354300000000, 0.0000070000000000, -0.0000794800000000 ] - [ 0.0115756200000000, -0.0073394000000000, -0.0003319300000000 ] - [ 0.0008226200000000, 0.0006942200000000, -0.0002642400000000 ] - [ -0.0007860600000000, 0.0010461000000000, -0.0018821700000000 ] - [ -0.0003210800000000, 0.0003868600000000, -0.0008509700000000 ] - [ -0.0037960800000000, -0.0016668800000000, 0.0011145500000000 ] - [ -0.0008102100000000, 0.0007793900000000, 0.0007161900000000 ] - [ 0.0005560500000000, 0.0000210500000000, -0.0006829300000000 ] - [ 0.0005344100000000, 0.0001277000000000, -0.0006280400000000 ] - [ 0.0005594400000000, 0.0003772200000000, 0.0002074300000000 ] - [ 0.0005756100000000, 0.0003963300000000, 0.0001831900000000 ] - [ 0.0012133800000000, -0.0005087200000000, 0.0011381300000000 ] - [ 0.0001979700000000, -0.0007227500000000, 0.0009288400000000 ] - [ -0.0004976400000000, 0.0000261900000000, -0.0005957300000000 ] - [ -0.0005321100000000, 0.0003827600000000, -0.0006588800000000 ] - [ -0.0024013800000000, -0.0005818400000000, 0.0007018400000000 ] - [ 0.0001565900000000, -0.0000785100000000, 0.0004915300000000 ] - [ -0.0012090100000000, 0.0009240700000000, -0.0009266200000000 ] - [ -0.0007381000000000, -0.0002244500000000, -0.0000543600000000 ] - [ 0.0010476800000000, 0.0004141600000000, 0.0008752400000000 ] - [ 0.0001811200000000, 0.0008970200000000, 0.0010421700000000 ] - [ -0.0011925800000000, -0.0014288700000000, -0.0013082500000000 ] - [ -0.0004270400000000, -0.0000192300000000, -0.0008389100000000 ] - [ 0.0004135500000000, -0.0000000600000000, 0.0003305400000000 ] - [ 0.0002194300000000, 0.0001284900000000, 0.0002860900000000 ] - [ -0.0005835400000000, 0.0004015000000000, -0.0004761500000000 ] - [ -0.0005812500000000, 0.0005414900000000, -0.0005070600000000 ] - [ 0.0010495000000000, 0.0006514100000000, 0.0005002200000000 ] - [ 0.0016836400000000, -0.0000986400000000, -0.0001475900000000 ] - [ 0.0001369200000000, 0.0000016100000000, -0.0002486000000000 ] - [ 0.0001609900000000, 0.0000980500000000, -0.0002100700000000 ] - [ -0.0007591800000000, -0.0021330000000000, 0.0037630600000000 ] - [ 0.0001467600000000, 0.0005913800000000, 0.0005974600000000 ] - [ -0.0005864400000000, -0.0000775600000000, 0.0003368600000000 ] - [ -0.0005632900000000, 0.0000154400000000, 0.0003803900000000 ] - [ 0.0112874100000000, -0.0006554700000000, 0.0006779600000000 ] - [ 0.0001501300000000, 0.0002455900000000, -0.0003635300000000 ] - [ -0.0022938300000000, 0.0015388500000000, -0.0033528200000000 ] - [ -0.0003040200000000, -0.0005876100000000, -0.0005146000000000 ] - [ 0.0002734500000000, -0.0000474700000000, -0.0001509800000000 ] - [ 0.0005162300000000, 0.0003019100000000, -0.0001383600000000 ] - [ -0.0015847700000000, 0.0001586100000000, 0.0013309200000000 ] - [ -0.0003692000000000, -0.0000093000000000, 0.0010018800000000 ] - [ -0.0001713300000000, 0.0000326800000000, -0.0003652000000000 ] - [ -0.0002851100000000, 0.0000938300000000, -0.0003652400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000856900000000, 0.0002892900000000, 0.0001358400000000 ] - [ 0.0001238500000000, -0.0003239600000000, -0.0002550800000000 ] - [ -0.0000732200000000, 0.0001247800000000, 0.0006356900000000 ] - [ -0.0001789000000000, -0.0002126400000000, 0.0000839900000000 ] - [ 0.0005647700000000, 0.0015543900000000, -0.0012589100000000 ] - [ -0.0003601800000000, -0.0012168900000000, -0.0000595500000000 ] - [ -0.0000528800000000, 0.0001063100000000, 0.0009777100000000 ] - [ 0.0000193900000000, -0.0002059600000000, 0.0004718900000000 ] - [ 0.0004216900000000, 0.0018777400000000, -0.0002293300000000 ] - [ -0.0018961200000000, -0.0021274300000000, 0.0007041100000000 ] - [ 0.0005223900000000, 0.0002316100000000, 0.0011772400000000 ] - [ -0.0000438100000000, -0.0004097900000000, -0.0002488600000000 ] - [ -0.0019588100000000, 0.0018920900000000, -0.0022943700000000 ] - [ 0.0014605500000000, -0.0027338200000000, 0.0015504700000000 ] - [ -0.0001106000000000, 0.0047827700000000, -0.0012289900000000 ] - [ 0.0006816300000000, -0.0016905100000000, -0.0001447400000000 ] - [ 0.0002136900000000, 0.0019205500000000, -0.0000125100000000 ] - [ 0.0001373000000000, -0.0009441600000000, 0.0011992300000000 ] - [ 0.0028389400000000, 0.0084929800000000, -0.0069991700000000 ] - [ 0.0013426400000000, -0.0055114600000000, -0.0065421600000000 ] - [ -0.0002419500000000, 0.0012193500000000, 0.0006526800000000 ] - [ -0.0000794700000000, -0.0005544900000000, 0.0006524500000000 ] - [ 0.0027446000000000, 0.0020306300000000, 0.0004461100000000 ] - [ -0.0003613700000000, -0.0025096600000000, -0.0004956900000000 ] - [ -0.0098172600000000, -0.0009503100000000, 0.0062962700000000 ] - [ 0.0004219100000000, -0.0023346000000000, -0.0011431700000000 ] - [ -0.0897826700000000, 0.2505729100000000, -0.1033366300000000 ] - [ -0.0013054200000000, -0.0098517200000000, -0.0022832800000000 ] - [ 0.0003841800000000, 0.0054844000000000, -0.0008124600000000 ] - [ -0.0009162100000000, -0.0034015800000000, 0.0036121100000000 ] - [ -0.0041061700000000, 0.0018359500000000, -0.0004186100000000 ] - [ 0.0012549500000000, -0.0020579600000000, -0.0007584100000000 ] - [ 0.0003254500000000, 0.0005729900000000, 0.0004695600000000 ] - [ 0.0003614800000000, -0.0005637700000000, 0.0006293100000000 ] - [ 0.0035632100000000, 0.0023454700000000, 0.0036223800000000 ] - [ -0.0004603100000000, -0.0014401600000000, -0.0019548600000000 ] - [ -0.0001702200000000, 0.0005313900000000, 0.0003972300000000 ] - [ -0.0003206000000000, -0.0005146700000000, 0.0015601500000000 ] - [ -0.0001495700000000, 0.0005746000000000, -0.0009414200000000 ] - [ 0.0002833500000000, -0.0013780500000000, 0.0007770200000000 ] - [ 0.1086446200000000, -0.3105011700000000, 0.1485969800000000 ] - [ -0.0009393200000000, 0.0063088300000000, -0.0001925900000000 ] - [ 0.0008763000000000, 0.0007412400000000, -0.0000320300000000 ] - [ 0.0004053200000000, 0.0007529700000000, 0.0004077100000000 ] - [ -0.0012152200000000, -0.0021316000000000, -0.0006586700000000 ] - [ -0.0003690700000000, 0.0012633300000000, 0.0005369500000000 ] - [ -0.0138898800000000, -0.0004370000000000, -0.0082356700000000 ] - [ 0.0013505700000000, 0.0024502700000000, 0.0004035900000000 ] - [ -0.0003878700000000, -0.0002593900000000, 0.0000099100000000 ] - [ -0.0003297600000000, 0.0003482900000000, -0.0002767000000000 ] - [ 0.0007643100000000, -0.0038007700000000, -0.0024242100000000 ] - [ 0.0007229900000000, 0.0027026300000000, 0.0003622500000000 ] - [ -0.0076835800000000, 0.0390184300000000, -0.0091225900000000 ] - [ 0.0006868000000000, 0.0093086800000000, 0.0018238300000000 ] - [ -0.0008595700000000, 0.0008363600000000, -0.0026215700000000 ] - [ -0.0000514200000000, 0.0004721000000000, -0.0001688700000000 ] - [ 0.0047788400000000, -0.0001891100000000, 0.0004201500000000 ] - [ -0.0018604400000000, 0.0011949200000000, 0.0008837100000000 ] - [ 0.0004885600000000, -0.0004359000000000, -0.0005718900000000 ] - [ 0.0003841500000000, 0.0006009600000000, -0.0008921200000000 ] - [ 0.0004314800000000, 0.0003311700000000, 0.0002687300000000 ] - [ 0.0004797700000000, 0.0004619500000000, -0.0000290300000000 ] - [ -0.0002299800000000, -0.0028743900000000, 0.0036097900000000 ] - [ 0.0004824800000000, 0.0047045800000000, -0.0024982400000000 ] - [ 0.0000746000000000, -0.0002443400000000, -0.0000827700000000 ] - [ -0.0003081500000000, 0.0005573700000000, -0.0008704200000000 ] - [ 0.0006812800000000, -0.0030969500000000, 0.0013880900000000 ] - [ 0.0002108300000000, 0.0011647500000000, 0.0004473700000000 ] - [ -0.0010225400000000, 0.0007771600000000, -0.0007199400000000 ] - [ -0.0002465300000000, -0.0001067700000000, 0.0004748900000000 ] - [ 0.0017802200000000, -0.0012457300000000, -0.0020636000000000 ] - [ 0.0000296200000000, 0.0017836500000000, 0.0015587600000000 ] - [ -0.0000734300000000, -0.0018359800000000, -0.0004358700000000 ] - [ -0.0004436500000000, 0.0004555000000000, -0.0009500400000000 ] - [ -0.0000559800000000, -0.0010437400000000, 0.0003617100000000 ] - [ -0.0001198000000000, 0.0007713700000000, -0.0006525400000000 ] - [ -0.0004765100000000, 0.0000318700000000, -0.0008750300000000 ] - [ -0.0005867900000000, 0.0011017500000000, -0.0009527400000000 ] - [ 0.0001769700000000, 0.0010626400000000, 0.0012644100000000 ] - [ 0.0021745600000000, 0.0013788100000000, -0.0024149700000000 ] - [ 0.0001819700000000, -0.0001720500000000, -0.0004778500000000 ] - [ 0.0003090600000000, 0.0002820500000000, -0.0004139400000000 ] - [ 0.0026819600000000, -0.0014121800000000, -0.0002561700000000 ] - [ -0.0001928300000000, 0.0012466200000000, 0.0007307800000000 ] - [ -0.0005846400000000, -0.0002939900000000, -0.0001592300000000 ] - [ -0.0004926600000000, -0.0000288800000000, 0.0000339800000000 ] - [ 0.0016044300000000, 0.0003483300000000, -0.0161815800000000 ] - [ -0.0003100700000000, 0.0017309700000000, 0.0008578700000000 ] - [ -0.0048394200000000, -0.0003439000000000, -0.0040097100000000 ] - [ 0.0009603300000000, 0.0009125700000000, 0.0009458300000000 ] - [ 0.0002048100000000, -0.0002662100000000, 0.0006931500000000 ] - [ 0.0005425800000000, 0.0004624000000000, -0.0005434300000000 ] - [ 0.0003908700000000, -0.0004396600000000, -0.0003697500000000 ] - [ -0.0002401100000000, 0.0003245700000000, 0.0014652600000000 ] - [ -0.0000433800000000, -0.0008465700000000, -0.0005408300000000 ] - [ 0.0001577300000000, 0.0006106000000000, -0.0014843800000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001965400000000, -0.0003388700000000, -0.0008250500000000 ] - [ -0.0000109500000000, 0.0002733200000000, -0.0004359300000000 ] - [ -0.0000655800000000, -0.0002044700000000, -0.0004493300000000 ] - [ 0.0000398100000000, 0.0001279200000000, 0.0001023500000000 ] - [ -0.0004139600000000, -0.0014771100000000, 0.0010623700000000 ] - [ 0.0004930400000000, 0.0012967800000000, -0.0001247200000000 ] - [ -0.0000595400000000, -0.0001532800000000, -0.0002831000000000 ] - [ -0.0001317100000000, 0.0001530100000000, 0.0002216300000000 ] - [ -0.0006193200000000, -0.0017651400000000, 0.0009636400000000 ] - [ 0.0017996900000000, 0.0021752700000000, -0.0000195900000000 ] - [ -0.0003818900000000, -0.0003143800000000, -0.0013553700000000 ] - [ 0.0001808600000000, 0.0003272700000000, 0.0000622300000000 ] - [ 0.0018607800000000, -0.0017460400000000, 0.0025247800000000 ] - [ -0.0016119900000000, 0.0028080500000000, -0.0013775300000000 ] - [ 0.0001629400000000, -0.0047666500000000, 0.0005004100000000 ] - [ -0.0005623600000000, 0.0017374600000000, -0.0005445300000000 ] - [ 0.0003455300000000, -0.0011367400000000, -0.0001900200000000 ] - [ 0.0004221500000000, 0.0017090600000000, -0.0014007700000000 ] - [ -0.0021395000000000, -0.0088724900000000, 0.0062656600000000 ] - [ -0.0007950300000000, 0.0047374700000000, 0.0063838900000000 ] - [ -0.0003189800000000, -0.0004462700000000, -0.0004479000000000 ] - [ -0.0004791300000000, 0.0013275400000000, -0.0004436300000000 ] - [ -0.0032850000000000, -0.0027994200000000, -0.0002318600000000 ] - [ -0.0002014100000000, 0.0017344400000000, 0.0006975900000000 ] - [ 0.0094979800000000, 0.0008452100000000, -0.0057807700000000 ] - [ -0.0006803400000000, 0.0022718800000000, 0.0016041300000000 ] - [ 0.0973621100000000, -0.2618582300000000, 0.1105428500000000 ] - [ 0.0021356200000000, 0.0098094700000000, 0.0015318900000000 ] - [ -0.0006468800000000, -0.0053945500000000, 0.0012606000000000 ] - [ 0.0006455800000000, 0.0034590800000000, -0.0031123400000000 ] - [ 0.0032520300000000, -0.0018455900000000, 0.0011393200000000 ] - [ -0.0021105000000000, 0.0020044800000000, 0.0014782100000000 ] - [ 0.0005228900000000, -0.0005416000000000, -0.0011976400000000 ] - [ 0.0004844800000000, 0.0005945900000000, -0.0013464000000000 ] - [ -0.0032856000000000, -0.0023951100000000, -0.0040925000000000 ] - [ 0.0007337600000000, 0.0013667200000000, 0.0014825000000000 ] - [ -0.0006766100000000, -0.0004952800000000, 0.0003312300000000 ] - [ -0.0005265400000000, 0.0005413500000000, -0.0008309800000000 ] - [ 0.0004141900000000, -0.0005004600000000, 0.0004660700000000 ] - [ -0.0000176800000000, 0.0014265300000000, -0.0012548700000000 ] - [ -0.1165955100000000, 0.3219844500000000, -0.1555157400000000 ] - [ -0.0001213300000000, -0.0062643400000000, 0.0009612600000000 ] - [ 0.0001845100000000, -0.0007045600000000, -0.0007357400000000 ] - [ 0.0006581800000000, -0.0006931700000000, -0.0011694100000000 ] - [ 0.0001091600000000, 0.0021026200000000, 0.0009164600000000 ] - [ -0.0007366100000000, -0.0012783300000000, -0.0002822200000000 ] - [ 0.0143333000000000, 0.0005198300000000, 0.0079527800000000 ] - [ -0.0008857300000000, -0.0025504200000000, -0.0006964200000000 ] - [ -0.0000654200000000, 0.0003595600000000, 0.0002881400000000 ] - [ -0.0001226600000000, -0.0002437700000000, 0.0005747700000000 ] - [ 0.0003401400000000, 0.0037951100000000, 0.0021656500000000 ] - [ 0.0003840300000000, -0.0026809900000000, -0.0006291000000000 ] - [ 0.0067024600000000, -0.0409981300000000, 0.0083989000000000 ] - [ -0.0017721300000000, -0.0101831200000000, -0.0027429800000000 ] - [ 0.0005383900000000, 0.0001734900000000, 0.0011219900000000 ] - [ -0.0002671500000000, 0.0005439700000000, -0.0013285000000000 ] - [ -0.0052145300000000, 0.0000705500000000, -0.0001173300000000 ] - [ 0.0014202900000000, -0.0012894500000000, -0.0005816200000000 ] - [ 0.0005733500000000, 0.0003896800000000, -0.0001963600000000 ] - [ 0.0006768200000000, -0.0006417600000000, 0.0001225400000000 ] - [ 0.0006536400000000, 0.0005975800000000, 0.0006590300000000 ] - [ 0.0006059800000000, 0.0004718400000000, 0.0009572900000000 ] - [ 0.0005428900000000, 0.0018788200000000, -0.0020887700000000 ] - [ -0.0001657800000000, -0.0056904700000000, 0.0039801800000000 ] - [ -0.0002952800000000, 0.0003742000000000, -0.0004858200000000 ] - [ 0.0000856300000000, -0.0004201700000000, 0.0003006100000000 ] - [ 0.0004096800000000, 0.0021459000000000, -0.0004527600000000 ] - [ 0.0008745600000000, -0.0020901900000000, 0.0004814400000000 ] - [ -0.0000835000000000, -0.0007501700000000, 0.0009713900000000 ] - [ -0.0008558400000000, 0.0001178800000000, -0.0002152800000000 ] - [ -0.0014576300000000, 0.0022525400000000, 0.0035409700000000 ] - [ 0.0002859300000000, -0.0007681500000000, -0.0000577600000000 ] - [ -0.0002433600000000, 0.0008132600000000, -0.0010619200000000 ] - [ 0.0001270700000000, -0.0014611600000000, -0.0005397200000000 ] - [ 0.0002777600000000, 0.0011720800000000, 0.0002111400000000 ] - [ 0.0003376300000000, -0.0006375700000000, 0.0012133700000000 ] - [ -0.0006101700000000, 0.0008981800000000, -0.0000550000000000 ] - [ -0.0004993400000000, -0.0001682600000000, 0.0000205700000000 ] - [ 0.0009246300000000, -0.0010847000000000, -0.0015150900000000 ] - [ -0.0010626800000000, -0.0013619000000000, 0.0021536100000000 ] - [ 0.0002698200000000, 0.0002747200000000, 0.0001785300000000 ] - [ 0.0001432900000000, -0.0001792700000000, 0.0001128200000000 ] - [ -0.0024492200000000, 0.0013003900000000, 0.0008067500000000 ] - [ 0.0004106300000000, -0.0013812800000000, -0.0001581700000000 ] - [ -0.0004779700000000, 0.0002522100000000, 0.0009258900000000 ] - [ -0.0005698100000000, -0.0000170000000000, 0.0007300700000000 ] - [ -0.0021272700000000, -0.0003525800000000, 0.0154125500000000 ] - [ -0.0002790500000000, -0.0018780100000000, -0.0015924500000000 ] - [ 0.0045943200000000, 0.0001999700000000, 0.0034251700000000 ] - [ -0.0011916400000000, -0.0010414000000000, -0.0015198900000000 ] - [ 0.0003793300000000, 0.0004111100000000, 0.0000579100000000 ] - [ 0.0000431500000000, -0.0003117400000000, 0.0012937400000000 ] - [ 0.0001919500000000, 0.0002872100000000, 0.0011214400000000 ] - [ 0.0008222600000000, -0.0004673900000000, -0.0007130500000000 ] - [ -0.0005445600000000, 0.0009910700000000, -0.0002063200000000 ] - [ -0.0007361300000000, -0.0004639600000000, 0.0007239300000000 ]- atom: 41 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ 0.0003153200000000, -0.0000556400000000, -0.0012579600000000 ] - [ 0.0000478200000000, -0.0000088300000000, -0.0008054600000000 ] - [ 0.0001191000000000, 0.0000382600000000, -0.0007223400000000 ] - [ 0.0000754800000000, -0.0000886200000000, -0.0003449900000000 ] - [ 0.0016053400000000, -0.0009757300000000, 0.0001635900000000 ] - [ 0.0004014100000000, 0.0006115900000000, 0.0001928900000000 ] - [ -0.0001957100000000, 0.0001382400000000, -0.0007177000000000 ] - [ -0.0001651000000000, -0.0001170200000000, -0.0003087200000000 ] - [ -0.0012073600000000, 0.0000258400000000, 0.0035461700000000 ] - [ 0.0002725900000000, 0.0008153000000000, 0.0013175200000000 ] - [ -0.0008549500000000, 0.0001200700000000, -0.0020394600000000 ] - [ 0.0000085800000000, -0.0000757300000000, -0.0004294300000000 ] - [ -0.0011383300000000, -0.0012775300000000, 0.0023967300000000 ] - [ -0.0007001300000000, 0.0011153600000000, 0.0006175100000000 ] - [ -0.0004897400000000, -0.0005455000000000, 0.0022509600000000 ] - [ -0.0002250900000000, 0.0005902100000000, 0.0002555000000000 ] - [ 0.0006419400000000, -0.0010824500000000, -0.0023826100000000 ] - [ 0.0005958500000000, 0.0014814000000000, -0.0022448800000000 ] - [ -0.0035194200000000, -0.0073452300000000, 0.0128596200000000 ] - [ 0.0002375100000000, -0.0012222800000000, 0.0020485100000000 ] - [ -0.0008003400000000, -0.0000043300000000, -0.0014985400000000 ] - [ -0.0005279900000000, 0.0008621800000000, -0.0010318300000000 ] - [ 0.0006974700000000, -0.0006284100000000, 0.0017555900000000 ] - [ -0.0000694500000000, -0.0001769300000000, 0.0012475600000000 ] - [ 0.0179389300000000, 0.0068234700000000, -0.0080976100000000 ] - [ -0.0004315700000000, -0.0016019500000000, 0.0012226200000000 ] - [ 0.0235965500000000, -0.0784649400000000, 0.0974963900000000 ] - [ 0.0008010300000000, 0.0014303500000000, 0.0016716400000000 ] - [ 0.0005168600000000, -0.0014115200000000, -0.0052593600000000 ] - [ 0.0005047300000000, 0.0014343500000000, -0.0030875300000000 ] - [ 0.0032326200000000, -0.0002565700000000, 0.0027546300000000 ] - [ -0.0003744500000000, 0.0002097100000000, 0.0015976700000000 ] - [ 0.0008615500000000, -0.0001450100000000, -0.0036790100000000 ] - [ 0.0004787500000000, 0.0002157200000000, -0.0022279400000000 ] - [ -0.0028149100000000, -0.0003578400000000, -0.0029653200000000 ] - [ -0.0002712000000000, 0.0000650500000000, -0.0001954000000000 ] - [ -0.0009367100000000, -0.0002792600000000, -0.0014553300000000 ] - [ -0.0009086500000000, 0.0003321200000000, -0.0009619000000000 ] - [ 0.0001992000000000, -0.0006612200000000, -0.0009068800000000 ] - [ 0.0004326900000000, 0.0011240400000000, -0.0005164600000000 ] - [ -0.0318313700000000, 0.1164589200000000, -0.1289148300000000 ] - [ -0.0005532600000000, -0.0004124500000000, -0.0004381800000000 ] - [ -0.0007884100000000, -0.0007699400000000, -0.0019581900000000 ] - [ 0.0005687300000000, -0.0002201200000000, -0.0015760700000000 ] - [ 0.0000947800000000, 0.0005386700000000, 0.0010397700000000 ] - [ -0.0004674100000000, -0.0001831800000000, 0.0001996500000000 ] - [ 0.0026201700000000, -0.0007250600000000, -0.0122883300000000 ] - [ 0.0000428300000000, -0.0003425000000000, -0.0009082200000000 ] - [ 0.0001666600000000, 0.0002852600000000, 0.0009869400000000 ] - [ 0.0001485000000000, -0.0001725600000000, 0.0008204600000000 ] - [ 0.0000840000000000, 0.0015052500000000, 0.0028584200000000 ] - [ 0.0003080300000000, -0.0010321600000000, 0.0003726900000000 ] - [ 0.0036796000000000, -0.0019360800000000, -0.0120451000000000 ] - [ -0.0003397800000000, -0.0018774100000000, -0.0032416400000000 ] - [ 0.0003583500000000, -0.0000733100000000, 0.0007929200000000 ] - [ -0.0000232500000000, 0.0006095200000000, -0.0005659700000000 ] - [ -0.0044338100000000, -0.0009198500000000, -0.0013323500000000 ] - [ -0.0002923500000000, -0.0001616800000000, -0.0005438300000000 ] - [ 0.0008213600000000, -0.0001906300000000, 0.0006264100000000 ] - [ 0.0007637900000000, -0.0004701800000000, 0.0003384100000000 ] - [ 0.0007891700000000, 0.0008469100000000, 0.0012896700000000 ] - [ 0.0007751900000000, 0.0005424700000000, 0.0012866600000000 ] - [ -0.0004680800000000, 0.0020485700000000, 0.0041893300000000 ] - [ -0.0001329700000000, -0.0047954700000000, 0.0035313000000000 ] - [ -0.0002796300000000, 0.0003208400000000, 0.0001616300000000 ] - [ -0.0003377800000000, -0.0002797000000000, 0.0001229900000000 ] - [ -0.0004687000000000, 0.0004739100000000, -0.0012693200000000 ] - [ 0.0004161100000000, -0.0005588000000000, -0.0001238200000000 ] - [ -0.0004579800000000, -0.0005956400000000, 0.0003105100000000 ] - [ -0.0005103300000000, 0.0004422100000000, 0.0001635600000000 ] - [ -0.0025329500000000, 0.0017261700000000, 0.0047989600000000 ] - [ 0.0001544600000000, 0.0006803700000000, 0.0008680100000000 ] - [ -0.0002177600000000, -0.0000596500000000, -0.0005518400000000 ] - [ -0.0002236200000000, -0.0009797800000000, -0.0009837000000000 ] - [ 0.0010970700000000, 0.0005034700000000, 0.0021346000000000 ] - [ 0.0004829600000000, -0.0001971300000000, 0.0014001000000000 ] - [ -0.0006337600000000, 0.0002394200000000, 0.0010266300000000 ] - [ -0.0005294900000000, -0.0000036100000000, 0.0004424800000000 ] - [ 0.0003690200000000, 0.0014780400000000, 0.0000126500000000 ] - [ -0.0021447100000000, -0.0054438300000000, 0.0020819000000000 ] - [ -0.0000132000000000, 0.0001380600000000, 0.0008588000000000 ] - [ 0.0001773900000000, -0.0000291800000000, 0.0004296600000000 ] - [ -0.0047657300000000, -0.0016614900000000, 0.0004886200000000 ] - [ -0.0000654900000000, 0.0003391900000000, -0.0002173400000000 ] - [ -0.0005084300000000, 0.0004845200000000, 0.0018117000000000 ] - [ -0.0005410000000000, 0.0003239900000000, 0.0013686500000000 ] - [ -0.0013090700000000, -0.0260335300000000, 0.0347643900000000 ] - [ 0.0002090700000000, -0.0001474900000000, -0.0017943100000000 ] - [ 0.0039669900000000, -0.0010028200000000, 0.0016563500000000 ] - [ 0.0000560100000000, 0.0001132800000000, -0.0004826900000000 ] - [ 0.0003137300000000, 0.0003530200000000, 0.0013707100000000 ] - [ 0.0001101100000000, -0.0001735300000000, 0.0010935600000000 ] - [ 0.0007257900000000, -0.0001396200000000, 0.0000103000000000 ] - [ 0.0005418600000000, -0.0000277900000000, -0.0002859400000000 ] - [ -0.0019122800000000, 0.0006060100000000, 0.0023392100000000 ] - [ -0.0010093300000000, -0.0000926100000000, 0.0012146200000000 ]- atom: 41 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ -0.0002015800000000, 0.0000072400000000, 0.0005711300000000 ] - [ 0.0000648700000000, -0.0000419300000000, 0.0001167200000000 ] - [ -0.0002601300000000, -0.0001209400000000, 0.0009112600000000 ] - [ -0.0002158200000000, 0.0000073500000000, 0.0005298000000000 ] - [ -0.0014789700000000, 0.0010701900000000, -0.0003649900000000 ] - [ -0.0002677100000000, -0.0005374500000000, -0.0003824900000000 ] - [ 0.0000851600000000, -0.0001894300000000, 0.0014164800000000 ] - [ 0.0000542900000000, 0.0000684100000000, 0.0010026600000000 ] - [ 0.0010135500000000, 0.0000917500000000, -0.0028342900000000 ] - [ -0.0003966700000000, -0.0007752300000000, -0.0006197800000000 ] - [ 0.0009879700000000, -0.0002005000000000, 0.0018542900000000 ] - [ 0.0001285200000000, -0.0000072100000000, 0.0002468200000000 ] - [ 0.0010207600000000, 0.0013928900000000, -0.0021872200000000 ] - [ 0.0005664300000000, -0.0010504100000000, -0.0004156600000000 ] - [ 0.0005760700000000, 0.0006018000000000, -0.0029669600000000 ] - [ 0.0003398600000000, -0.0005494900000000, -0.0009510800000000 ] - [ -0.0000809800000000, 0.0018538000000000, 0.0021813000000000 ] - [ -0.0000350800000000, -0.0007062100000000, 0.0020456200000000 ] - [ 0.0041947700000000, 0.0071182500000000, -0.0135215700000000 ] - [ 0.0003287600000000, 0.0004284800000000, -0.0023103200000000 ] - [ 0.0002434700000000, 0.0007833900000000, 0.0017060800000000 ] - [ -0.0000300300000000, -0.0000937600000000, 0.0012397500000000 ] - [ -0.0012049600000000, -0.0001350200000000, -0.0015338100000000 ] - [ -0.0004887800000000, -0.0006051000000000, -0.0010441400000000 ] - [ -0.0181173000000000, -0.0068614000000000, 0.0085881900000000 ] - [ 0.0001616500000000, 0.0015304900000000, -0.0007406600000000 ] - [ -0.0218704700000000, 0.0772584900000000, -0.0987151000000000 ] - [ 0.0000457400000000, -0.0014923100000000, -0.0023985800000000 ] - [ -0.0007861500000000, 0.0015038100000000, 0.0057676700000000 ] - [ -0.0007772100000000, -0.0013912800000000, 0.0035870100000000 ] - [ -0.0040999600000000, 0.0002406400000000, -0.0020459000000000 ] - [ -0.0004604900000000, -0.0002562600000000, -0.0008867600000000 ] - [ -0.0000173600000000, 0.0001803700000000, 0.0029633800000000 ] - [ 0.0003667300000000, -0.0001873500000000, 0.0015090900000000 ] - [ 0.0031065300000000, 0.0003005800000000, 0.0025038200000000 ] - [ 0.0005378300000000, -0.0001373100000000, -0.0002976000000000 ] - [ 0.0000862700000000, 0.0003098100000000, 0.0021930400000000 ] - [ 0.0000580200000000, -0.0002991500000000, 0.0017009200000000 ] - [ 0.0000682500000000, 0.0007299900000000, 0.0004455800000000 ] - [ -0.0001620300000000, -0.0010682100000000, 0.0000564500000000 ] - [ 0.0298942700000000, -0.1157330100000000, 0.1301136300000000 ] - [ -0.0005111500000000, 0.0004786200000000, 0.0012066000000000 ] - [ 0.0018550100000000, 0.0008170500000000, 0.0011978700000000 ] - [ 0.0004887400000000, 0.0002718100000000, 0.0008192700000000 ] - [ -0.0012036900000000, -0.0005651800000000, -0.0007843400000000 ] - [ -0.0006362800000000, 0.0001717200000000, 0.0000614400000000 ] - [ -0.0023151600000000, 0.0007574100000000, 0.0118645000000000 ] - [ 0.0004095700000000, 0.0002475800000000, 0.0006115400000000 ] - [ -0.0006190300000000, -0.0001816900000000, -0.0006907200000000 ] - [ -0.0005997700000000, 0.0002746800000000, -0.0005241700000000 ] - [ 0.0010226400000000, -0.0015060700000000, -0.0031386100000000 ] - [ 0.0007976700000000, 0.0010680100000000, -0.0006259200000000 ] - [ -0.0047918300000000, 0.0011980600000000, 0.0110320900000000 ] - [ -0.0007444800000000, 0.0009571500000000, 0.0023300300000000 ] - [ -0.0006804500000000, 0.0010881400000000, -0.0022956800000000 ] - [ -0.0002947400000000, 0.0004001200000000, -0.0009216400000000 ] - [ 0.0040084200000000, 0.0008172500000000, 0.0016502700000000 ] - [ -0.0001709200000000, 0.0000679100000000, 0.0008537600000000 ] - [ 0.0002405000000000, 0.0001481000000000, -0.0013981000000000 ] - [ 0.0002979000000000, 0.0004285100000000, -0.0011100800000000 ] - [ 0.0002964800000000, 0.0000848100000000, -0.0003644400000000 ] - [ 0.0003108600000000, 0.0003861100000000, -0.0003617100000000 ] - [ 0.0007889400000000, -0.0031056000000000, -0.0027176700000000 ] - [ 0.0004534800000000, 0.0038304000000000, -0.0020608400000000 ] - [ 0.0000545800000000, -0.0001875100000000, -0.0007363900000000 ] - [ 0.0001097500000000, 0.0004152600000000, -0.0006994200000000 ] - [ 0.0015578700000000, -0.0014240000000000, 0.0022115400000000 ] - [ 0.0006672700000000, -0.0003639800000000, 0.0010547900000000 ] - [ -0.0006503100000000, 0.0006207600000000, -0.0000670100000000 ] - [ -0.0005940900000000, -0.0004261700000000, 0.0000898200000000 ] - [ 0.0028345100000000, -0.0007110900000000, -0.0033002700000000 ] - [ 0.0001627700000000, 0.0003333300000000, 0.0006249000000000 ] - [ -0.0001030500000000, -0.0009638500000000, -0.0009525200000000 ] - [ -0.0000972900000000, -0.0000295200000000, -0.0005172500000000 ] - [ -0.0008851600000000, -0.0003764300000000, -0.0015760900000000 ] - [ -0.0002634900000000, 0.0003350800000000, -0.0008379100000000 ] - [ -0.0004523300000000, 0.0006926900000000, -0.0019610600000000 ] - [ -0.0005571400000000, 0.0009373800000000, -0.0013746700000000 ] - [ 0.0007353800000000, -0.0014903500000000, -0.0002715400000000 ] - [ 0.0032331000000000, 0.0053875700000000, -0.0023431000000000 ] - [ 0.0004699600000000, -0.0000365400000000, -0.0011600500000000 ] - [ 0.0002767800000000, 0.0001334800000000, -0.0007308800000000 ] - [ 0.0049598600000000, 0.0015173400000000, 0.0000693300000000 ] - [ 0.0002856500000000, -0.0004682700000000, 0.0007847100000000 ] - [ -0.0005551000000000, -0.0005316600000000, -0.0010493900000000 ] - [ -0.0005214200000000, -0.0003667800000000, -0.0006052000000000 ] - [ 0.0008346100000000, 0.0254189700000000, -0.0347878500000000 ] - [ -0.0007919400000000, 0.0000056400000000, 0.0010416000000000 ] - [ -0.0042267300000000, 0.0008739300000000, -0.0022384600000000 ] - [ -0.0002736800000000, -0.0002419000000000, -0.0000761300000000 ] - [ 0.0002755700000000, -0.0002038100000000, -0.0006268500000000 ] - [ 0.0004791500000000, 0.0003237900000000, -0.0003522000000000 ] - [ -0.0001463100000000, -0.0000105400000000, 0.0007482000000000 ] - [ 0.0000374900000000, -0.0001185000000000, 0.0010506100000000 ] - [ 0.0013348500000000, -0.0004625900000000, -0.0031034800000000 ] - [ 0.0004281200000000, 0.0002445900000000, -0.0019750100000000 ]- atom: 45 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ -0.0000999300000000, -0.0000141600000000, -0.0001873800000000 ] - [ -0.0000165200000000, -0.0000219600000000, -0.0002641100000000 ] - [ -0.0014086900000000, 0.0020744800000000, -0.0023733000000000 ] - [ -0.0000796900000000, -0.0004530200000000, -0.0000652500000000 ] - [ -0.0018224000000000, -0.0014578600000000, 0.0016344100000000 ] - [ -0.0003291000000000, 0.0006649700000000, -0.0001320500000000 ] - [ -0.0008343300000000, -0.0003731000000000, 0.0010846900000000 ] - [ -0.0002231500000000, 0.0000850200000000, 0.0004511000000000 ] - [ 0.0005025200000000, 0.0000186100000000, -0.0004852800000000 ] - [ 0.0001013700000000, 0.0000740000000000, 0.0002527600000000 ] - [ 0.0002129700000000, -0.0000632700000000, -0.0001644200000000 ] - [ 0.0001038100000000, -0.0000233400000000, -0.0000594100000000 ] - [ -0.0003936000000000, 0.0000746400000000, 0.0001693800000000 ] - [ -0.0001905400000000, 0.0000132200000000, 0.0001240100000000 ] - [ 0.0033573100000000, -0.0003094000000000, 0.0018601600000000 ] - [ 0.0006928800000000, -0.0010028200000000, -0.0006898300000000 ] - [ 0.0002235200000000, 0.0005092300000000, -0.0004499300000000 ] - [ 0.0003001100000000, 0.0002323600000000, -0.0002626500000000 ] - [ -0.0057181100000000, -0.0006808000000000, -0.0011709100000000 ] - [ -0.0004324700000000, -0.0002860500000000, -0.0002213000000000 ] - [ 0.0052971400000000, -0.0022549700000000, -0.0043581300000000 ] - [ -0.0000858200000000, -0.0006113200000000, 0.0008663800000000 ] - [ -0.0001251700000000, -0.0007535700000000, 0.0009339000000000 ] - [ -0.0003020200000000, -0.0000054500000000, 0.0005436900000000 ] - [ -0.0000634200000000, -0.0000379500000000, -0.0000731000000000 ] - [ 0.0000515700000000, -0.0000512700000000, 0.0000776800000000 ] - [ -0.0013330400000000, 0.0005965200000000, -0.0012015900000000 ] - [ -0.0004377700000000, -0.0007340100000000, -0.0008502300000000 ] - [ -0.0058738400000000, 0.0004384100000000, -0.0003321200000000 ] - [ -0.0010990600000000, -0.0004443100000000, 0.0008954400000000 ] - [ -0.0021940700000000, -0.0004994100000000, 0.0107924700000000 ] - [ -0.0002492500000000, -0.0007170400000000, 0.0008289800000000 ] - [ -0.0020802200000000, -0.0003662800000000, -0.0012926300000000 ] - [ 0.0005004900000000, 0.0004119400000000, -0.0003085500000000 ] - [ 0.0727107200000000, 0.0584476600000000, 0.0132038400000000 ] - [ 0.0017248800000000, -0.0006908400000000, -0.0005530100000000 ] - [ 0.0004851400000000, -0.0000122900000000, 0.0010318800000000 ] - [ 0.0001157000000000, 0.0002127000000000, 0.0007129500000000 ] - [ 0.0000131600000000, 0.0001376500000000, 0.0002166600000000 ] - [ 0.0000127500000000, -0.0000656600000000, 0.0000385700000000 ] - [ 0.0004685700000000, -0.0006412800000000, 0.0013412900000000 ] - [ -0.0002951700000000, 0.0002052400000000, 0.0005385200000000 ] - [ -0.0005728400000000, -0.0015884200000000, -0.0034800900000000 ] - [ 0.0000354200000000, 0.0003882700000000, -0.0007101500000000 ] - [ -0.0697322800000000, -0.0615779700000000, -0.0105806800000000 ] - [ -0.0010118100000000, 0.0003960300000000, 0.0003155000000000 ] - [ 0.0013925700000000, -0.0001010500000000, -0.0004288200000000 ] - [ 0.0008718600000000, 0.0000126200000000, -0.0001271900000000 ] - [ -0.0007780800000000, -0.0000325700000000, 0.0002902700000000 ] - [ -0.0005101800000000, 0.0001045200000000, 0.0001329400000000 ] - [ 0.0029417400000000, -0.0000979100000000, -0.0002679100000000 ] - [ 0.0008503200000000, 0.0002661600000000, -0.0001994900000000 ] - [ 0.0000747400000000, -0.0006367200000000, -0.0000931500000000 ] - [ 0.0000961300000000, 0.0002072300000000, 0.0002520800000000 ] - [ -0.0125052600000000, 0.0079235500000000, -0.0025421000000000 ] - [ -0.0009219600000000, 0.0004607400000000, -0.0005793300000000 ] - [ 0.0021712300000000, -0.0003163700000000, -0.0009227500000000 ] - [ -0.0000961900000000, 0.0003150800000000, -0.0000399500000000 ] - [ 0.0001440600000000, 0.0001852100000000, -0.0009664500000000 ] - [ 0.0004476900000000, 0.0001447200000000, -0.0006559100000000 ] - [ 0.0003820700000000, 0.0003772500000000, 0.0000356200000000 ] - [ 0.0005337800000000, 0.0000029800000000, -0.0000796600000000 ] - [ 0.0019951400000000, -0.0008018700000000, 0.0010337600000000 ] - [ 0.0009474100000000, 0.0001382500000000, 0.0003382000000000 ] - [ -0.0001118700000000, 0.0000456100000000, -0.0004415900000000 ] - [ -0.0000814300000000, 0.0000936000000000, -0.0003639000000000 ] - [ -0.0003869100000000, -0.0006535500000000, -0.0024069200000000 ] - [ 0.0002668700000000, -0.0002178300000000, 0.0003438500000000 ] - [ -0.0005222400000000, 0.0001219300000000, -0.0000609200000000 ] - [ -0.0005056200000000, -0.0000070600000000, -0.0000382900000000 ] - [ 0.0001625300000000, 0.0005653700000000, 0.0009349000000000 ] - [ 0.0001189200000000, 0.0005479200000000, 0.0008135900000000 ] - [ -0.0001443300000000, -0.0006179900000000, -0.0011286300000000 ] - [ -0.0001353400000000, -0.0005832900000000, -0.0009032500000000 ] - [ 0.0033675000000000, -0.0008809700000000, -0.0003231500000000 ] - [ 0.0005109200000000, 0.0002900400000000, 0.0001979900000000 ] - [ 0.0002001800000000, 0.0003520500000000, -0.0001469800000000 ] - [ -0.0004977800000000, 0.0004267100000000, -0.0004791600000000 ] - [ 0.0005323200000000, -0.0000201000000000, -0.0000031000000000 ] - [ 0.0005324300000000, -0.0000332500000000, -0.0000413000000000 ] - [ 0.0010054900000000, 0.0009363400000000, 0.0015181200000000 ] - [ -0.0000615300000000, -0.0000923500000000, -0.0002000800000000 ] - [ -0.0000460100000000, -0.0000845300000000, 0.0004979900000000 ] - [ -0.0000909500000000, -0.0000582600000000, 0.0003288000000000 ] - [ 0.0001277300000000, 0.0004484500000000, 0.0006657700000000 ] - [ -0.0003454600000000, -0.0003252400000000, 0.0004795000000000 ] - [ -0.0001839300000000, -0.0001716200000000, -0.0000710700000000 ] - [ -0.0003037800000000, 0.0000280800000000, -0.0001318700000000 ] - [ 0.0045310700000000, 0.0244325600000000, 0.0141742900000000 ] - [ -0.0005975500000000, -0.0002456800000000, -0.0004620400000000 ] - [ 0.0003240300000000, 0.0000943600000000, 0.0000499700000000 ] - [ 0.0003471600000000, 0.0000677200000000, 0.0001006900000000 ] - [ 0.0020031300000000, -0.0224290800000000, -0.0153003600000000 ] - [ -0.0004276400000000, 0.0007543500000000, 0.0004669800000000 ] - [ 0.0022618600000000, -0.0000267500000000, -0.0002944800000000 ] - [ 0.0002074400000000, -0.0001525300000000, -0.0006036700000000 ]- atom: 45 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ 0.0002133700000000, -0.0000361300000000, -0.0005007600000000 ] - [ 0.0001297300000000, -0.0000270700000000, -0.0004279900000000 ] - [ 0.0012504900000000, -0.0021671100000000, 0.0025579300000000 ] - [ -0.0000587600000000, 0.0003775900000000, 0.0002514100000000 ] - [ 0.0019052700000000, 0.0015181300000000, -0.0018006200000000 ] - [ 0.0004626100000000, -0.0005760700000000, -0.0000512800000000 ] - [ 0.0007296700000000, 0.0003139900000000, -0.0003933400000000 ] - [ 0.0001119800000000, -0.0001292500000000, 0.0002411500000000 ] - [ -0.0006126600000000, 0.0000303200000000, 0.0011787400000000 ] - [ -0.0002139700000000, -0.0000228200000000, 0.0004375300000000 ] - [ -0.0000766600000000, -0.0000190100000000, -0.0000191400000000 ] - [ 0.0000330600000000, -0.0000578000000000, -0.0001263100000000 ] - [ 0.0002546500000000, 0.0000059300000000, 0.0000165300000000 ] - [ 0.0000527300000000, 0.0000698500000000, 0.0000600200000000 ] - [ -0.0032240600000000, 0.0003055300000000, -0.0024719800000000 ] - [ -0.0005786000000000, 0.0010595300000000, 0.0000047000000000 ] - [ 0.0003360200000000, 0.0002608700000000, 0.0002485900000000 ] - [ 0.0002600700000000, 0.0005459100000000, 0.0000593900000000 ] - [ 0.0062850400000000, -0.0001046400000000, 0.0009623600000000 ] - [ 0.0009947200000000, -0.0004778100000000, 0.0000135300000000 ] - [ -0.0059098800000000, 0.0030218300000000, 0.0045735100000000 ] - [ -0.0004735700000000, 0.0014198600000000, -0.0006847900000000 ] - [ -0.0004370900000000, -0.0000257700000000, -0.0007298600000000 ] - [ -0.0002588200000000, -0.0007634100000000, -0.0003358900000000 ] - [ -0.0002031100000000, -0.0000267600000000, 0.0005501100000000 ] - [ -0.0003182000000000, -0.0000145200000000, 0.0004001700000000 ] - [ 0.0021842800000000, -0.0006325000000000, 0.0004721300000000 ] - [ 0.0012836700000000, 0.0007062800000000, 0.0001236100000000 ] - [ 0.0055968600000000, -0.0003761900000000, 0.0008046600000000 ] - [ 0.0008419800000000, 0.0005187900000000, -0.0004160700000000 ] - [ 0.0013202800000000, 0.0004491500000000, -0.0099825600000000 ] - [ -0.0006034700000000, 0.0006962600000000, -0.0001069600000000 ] - [ 0.0029322400000000, 0.0004011200000000, 0.0005870900000000 ] - [ 0.0003400500000000, -0.0003829000000000, -0.0004218600000000 ] - [ -0.0732600300000000, -0.0591409200000000, -0.0137821800000000 ] - [ -0.0014587000000000, 0.0006493700000000, 0.0000779100000000 ] - [ -0.0013391600000000, 0.0000307800000000, -0.0003121500000000 ] - [ -0.0009675500000000, -0.0001720300000000, 0.0000123300000000 ] - [ 0.0002556700000000, -0.0000730700000000, -0.0006918700000000 ] - [ 0.0002554300000000, 0.0001326100000000, -0.0005143400000000 ] - [ -0.0015318300000000, 0.0006876400000000, -0.0005732000000000 ] - [ -0.0007662800000000, -0.0001670700000000, 0.0002310800000000 ] - [ 0.0016343000000000, 0.0016279000000000, 0.0027005600000000 ] - [ 0.0010274100000000, -0.0003502500000000, -0.0000545300000000 ] - [ 0.0695964400000000, 0.0620334100000000, 0.0105396300000000 ] - [ -0.0000918700000000, -0.0004303800000000, -0.0000641200000000 ] - [ -0.0009425800000000, 0.0000007900000000, 0.0001336400000000 ] - [ -0.0004198200000000, -0.0001169800000000, -0.0001728500000000 ] - [ 0.0003307300000000, 0.0001387300000000, 0.0000089800000000 ] - [ 0.0000608700000000, -0.0000049200000000, 0.0001663800000000 ] - [ -0.0018433700000000, 0.0001240700000000, 0.0000144700000000 ] - [ 0.0002506600000000, -0.0002573300000000, -0.0000589400000000 ] - [ -0.0011615300000000, -0.0002938900000000, -0.0008342000000000 ] - [ -0.0011828700000000, -0.0011406500000000, -0.0011827900000000 ] - [ 0.0120836100000000, -0.0070451200000000, 0.0010410100000000 ] - [ 0.0006054100000000, 0.0005393400000000, -0.0009139800000000 ] - [ -0.0026051200000000, 0.0002207000000000, 0.0012131700000000 ] - [ -0.0003535400000000, -0.0004241100000000, 0.0003418600000000 ] - [ 0.0009164800000000, -0.0002185400000000, 0.0001980200000000 ] - [ 0.0006132200000000, -0.0001958400000000, -0.0001062400000000 ] - [ 0.0007048600000000, 0.0005608800000000, 0.0009035500000000 ] - [ 0.0005525900000000, 0.0009246200000000, 0.0010075700000000 ] - [ -0.0016788600000000, -0.0002140800000000, 0.0004629300000000 ] - [ -0.0006337900000000, -0.0011527400000000, 0.0011561000000000 ] - [ -0.0001111800000000, 0.0000888300000000, -0.0001275400000000 ] - [ -0.0001414700000000, 0.0000386400000000, -0.0002054600000000 ] - [ 0.0014809600000000, -0.0002639600000000, 0.0033231900000000 ] - [ 0.0008214300000000, -0.0007210300000000, 0.0005873200000000 ] - [ -0.0005813400000000, -0.0001059200000000, 0.0003169600000000 ] - [ -0.0005984600000000, 0.0000234300000000, 0.0002952200000000 ] - [ 0.0001545800000000, 0.0004460300000000, 0.0005571100000000 ] - [ 0.0001979300000000, 0.0004630200000000, 0.0006803800000000 ] - [ -0.0001731400000000, -0.0003927900000000, -0.0003673900000000 ] - [ -0.0001822500000000, -0.0004301000000000, -0.0005911200000000 ] - [ -0.0031334000000000, 0.0010060700000000, 0.0008769500000000 ] - [ -0.0002994900000000, -0.0001624700000000, 0.0003693700000000 ] - [ -0.0012892500000000, 0.0005845700000000, -0.0007899000000000 ] - [ -0.0005875200000000, 0.0005021600000000, -0.0004489400000000 ] - [ 0.0005707800000000, 0.0000049800000000, -0.0002552300000000 ] - [ 0.0005705000000000, 0.0000155800000000, -0.0002152300000000 ] - [ -0.0005533800000000, -0.0008377500000000, -0.0018282700000000 ] - [ 0.0005213300000000, 0.0001947200000000, -0.0000959300000000 ] - [ 0.0002653400000000, -0.0000479900000000, 0.0000698700000000 ] - [ 0.0003110400000000, -0.0000758200000000, 0.0002380900000000 ] - [ -0.0011916500000000, -0.0004961700000000, 0.0000960300000000 ] - [ -0.0007159000000000, 0.0002884200000000, 0.0002887700000000 ] - [ -0.0004003200000000, 0.0000257900000000, -0.0006777900000000 ] - [ -0.0002795500000000, -0.0001755000000000, -0.0006187200000000 ] - [ -0.0047312200000000, -0.0243038200000000, -0.0144997600000000 ] - [ 0.0003741000000000, 0.0001059700000000, -0.0001072000000000 ] - [ 0.0002603900000000, 0.0000549000000000, 0.0007014100000000 ] - [ 0.0002355400000000, 0.0000771000000000, 0.0006501400000000 ] - [ -0.0013689500000000, 0.0223965000000000, 0.0160833600000000 ] - [ 0.0010138200000000, -0.0009087700000000, 0.0002832300000000 ] - [ -0.0028483100000000, 0.0001719500000000, -0.0004656000000000 ] - [ -0.0007916500000000, 0.0002993100000000, -0.0001448300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002110800000000, 0.0002979400000000, -0.0009952200000000 ] - [ 0.0000553800000000, -0.0003456000000000, -0.0001732800000000 ] - [ 0.0021037300000000, 0.0026398600000000, 0.0018879800000000 ] - [ -0.0007683200000000, -0.0016663500000000, -0.0002959800000000 ] - [ -0.0023412800000000, 0.0015969900000000, 0.0021951900000000 ] - [ 0.0007105700000000, -0.0020995100000000, -0.0003502400000000 ] - [ -0.0012895400000000, 0.0014346300000000, 0.0013156900000000 ] - [ 0.0004900000000000, -0.0013114000000000, 0.0001938400000000 ] - [ -0.0003901100000000, 0.0006523700000000, -0.0009905000000000 ] - [ 0.0000929800000000, -0.0005599200000000, 0.0006521300000000 ] - [ -0.0000013200000000, 0.0002803700000000, -0.0009394000000000 ] - [ 0.0000485800000000, -0.0003487300000000, 0.0000257800000000 ] - [ 0.0000955200000000, 0.0003672500000000, -0.0004820100000000 ] - [ -0.0001474600000000, -0.0002829100000000, 0.0001034400000000 ] - [ -0.0000887000000000, 0.0035453000000000, -0.0005437700000000 ] - [ -0.0003163600000000, -0.0026944500000000, -0.0012079200000000 ] - [ 0.0003044100000000, 0.0014081400000000, -0.0004189400000000 ] - [ 0.0001417100000000, -0.0006625200000000, -0.0005989600000000 ] - [ -0.0036056400000000, 0.0012833600000000, -0.0005827600000000 ] - [ 0.0008435300000000, -0.0023903700000000, 0.0004829300000000 ] - [ -0.0014199200000000, 0.0071793200000000, 0.0032834500000000 ] - [ -0.0006861100000000, -0.0068063000000000, 0.0042335100000000 ] - [ -0.0003763200000000, 0.0011205500000000, 0.0001502200000000 ] - [ -0.0001325600000000, -0.0021498200000000, -0.0009953700000000 ] - [ 0.0000782600000000, 0.0001276200000000, -0.0000028500000000 ] - [ -0.0002447700000000, -0.0002356500000000, -0.0006914900000000 ] - [ 0.0006080600000000, 0.0022521500000000, -0.0002148400000000 ] - [ 0.0004739600000000, -0.0021114700000000, -0.0010848700000000 ] - [ 0.0023790700000000, 0.0047297500000000, 0.0027822600000000 ] - [ -0.0013243400000000, -0.0030854200000000, 0.0006985300000000 ] - [ 0.0045615500000000, 0.0081997800000000, -0.0199270500000000 ] - [ -0.0014000400000000, -0.0032096700000000, 0.0031360500000000 ] - [ -0.0035723800000000, 0.0009892200000000, -0.0024680000000000 ] - [ 0.0016132800000000, -0.0009816600000000, 0.0009627200000000 ] - [ 0.0620873200000000, 0.3337184400000000, 0.0517493500000000 ] - [ -0.0001773800000000, -0.0089584300000000, 0.0027726000000000 ] - [ -0.0007532900000000, 0.0040455500000000, 0.0007474400000000 ] - [ -0.0010391500000000, -0.0043558900000000, -0.0006578300000000 ] - [ 0.0002221300000000, 0.0003369000000000, -0.0009748900000000 ] - [ 0.0005195900000000, -0.0001951900000000, -0.0011693400000000 ] - [ -0.0006116700000000, -0.0020948800000000, 0.0009338000000000 ] - [ -0.0005638200000000, 0.0012922300000000, 0.0001915700000000 ] - [ 0.0004140000000000, 0.0013932400000000, 0.0052187500000000 ] - [ 0.0011955400000000, 0.0010979900000000, -0.0017373400000000 ] - [ -0.0647194800000000, -0.4134329300000000, -0.0778056200000000 ] - [ -0.0001400400000000, 0.0053603200000000, 0.0004020200000000 ] - [ 0.0002618500000000, -0.0008505300000000, -0.0004189800000000 ] - [ 0.0001764900000000, 0.0007060500000000, 0.0001810300000000 ] - [ -0.0002212500000000, -0.0009788900000000, -0.0000377800000000 ] - [ 0.0001549100000000, 0.0010937100000000, 0.0005452200000000 ] - [ 0.0004472500000000, -0.0036784000000000, -0.0016332000000000 ] - [ 0.0008139100000000, 0.0021575200000000, 0.0000834700000000 ] - [ -0.0013880800000000, -0.0010090100000000, -0.0012812600000000 ] - [ -0.0000456700000000, 0.0007339700000000, 0.0005500000000000 ] - [ 0.0084029700000000, 0.0357699100000000, -0.0119634600000000 ] - [ -0.0002759300000000, 0.0071262900000000, -0.0021226500000000 ] - [ -0.0033224100000000, -0.0015952700000000, 0.0029399300000000 ] - [ 0.0003811700000000, 0.0009274300000000, -0.0003708000000000 ] - [ 0.0005535900000000, -0.0038207400000000, 0.0011899400000000 ] - [ 0.0005403900000000, 0.0026728600000000, -0.0014759500000000 ] - [ 0.0004941500000000, -0.0010641500000000, -0.0012713800000000 ] - [ 0.0004800900000000, 0.0045095000000000, 0.0038193800000000 ] - [ -0.0006206800000000, -0.0009888100000000, 0.0002247500000000 ] - [ 0.0008280200000000, 0.0010663300000000, -0.0000092700000000 ] - [ 0.0000726900000000, -0.0002287800000000, -0.0000263900000000 ] - [ -0.0002056100000000, 0.0003311300000000, 0.0000415500000000 ] - [ 0.0012453100000000, -0.0063796100000000, 0.0029540600000000 ] - [ 0.0002818600000000, 0.0017544200000000, -0.0003665300000000 ] - [ -0.0006677800000000, 0.0000025500000000, 0.0005733400000000 ] - [ -0.0005379700000000, -0.0001626500000000, 0.0004055500000000 ] - [ 0.0001509500000000, 0.0002463200000000, 0.0009758200000000 ] - [ 0.0001702800000000, 0.0010019300000000, 0.0012241100000000 ] - [ -0.0002190700000000, -0.0008329000000000, -0.0002109700000000 ] - [ -0.0002218300000000, 0.0001439100000000, -0.0002955300000000 ] - [ -0.0038720300000000, -0.0012664400000000, 0.0001373500000000 ] - [ 0.0013550100000000, 0.0015025700000000, 0.0000707000000000 ] - [ 0.0003253400000000, -0.0014443800000000, 0.0002708000000000 ] - [ -0.0008914200000000, 0.0016700200000000, -0.0009155400000000 ] - [ 0.0005746300000000, -0.0000336200000000, 0.0003325500000000 ] - [ 0.0005643300000000, -0.0000333800000000, -0.0000222400000000 ] - [ 0.0040963400000000, -0.0001241200000000, 0.0026543000000000 ] - [ -0.0010345600000000, 0.0008436200000000, -0.0010636000000000 ] - [ 0.0001749400000000, -0.0003889800000000, 0.0001090000000000 ] - [ 0.0003582000000000, 0.0002617800000000, 0.0008294700000000 ] - [ 0.0003845900000000, 0.0007447000000000, 0.0012729100000000 ] - [ -0.0007631000000000, -0.0001366700000000, -0.0001315100000000 ] - [ -0.0003773800000000, -0.0004674900000000, -0.0001907800000000 ] - [ -0.0004259900000000, 0.0002656500000000, 0.0001791300000000 ] - [ 0.0130857000000000, 0.0095693200000000, 0.0107751700000000 ] - [ -0.0006348900000000, 0.0023972500000000, -0.0011752200000000 ] - [ 0.0001133100000000, -0.0006063500000000, 0.0008174000000000 ] - [ 0.0000981800000000, 0.0008330000000000, 0.0012898900000000 ] - [ -0.0148841600000000, 0.0196856900000000, 0.0243581700000000 ] - [ 0.0006445900000000, 0.0026218000000000, -0.0013600000000000 ] - [ 0.0004995800000000, -0.0005768300000000, -0.0001960800000000 ] - [ -0.0002610200000000, 0.0006585600000000, -0.0010766700000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001005800000000, -0.0003493200000000, 0.0003028700000000 ] - [ 0.0000557200000000, 0.0002958700000000, -0.0005167900000000 ] - [ -0.0022576400000000, -0.0026901500000000, -0.0017179700000000 ] - [ 0.0006344000000000, 0.0015834200000000, 0.0004848900000000 ] - [ 0.0024532000000000, -0.0015395600000000, -0.0023632300000000 ] - [ -0.0005687900000000, 0.0021774100000000, 0.0001632200000000 ] - [ 0.0011754400000000, -0.0014736400000000, -0.0006276400000000 ] - [ -0.0006052200000000, 0.0012577800000000, 0.0004983000000000 ] - [ 0.0002786200000000, -0.0006010700000000, 0.0016836500000000 ] - [ -0.0002059100000000, 0.0006080200000000, 0.0000381900000000 ] - [ 0.0001408700000000, -0.0003641800000000, 0.0007541300000000 ] - [ 0.0000904100000000, 0.0002670900000000, -0.0002091800000000 ] - [ -0.0002333400000000, -0.0002849100000000, 0.0006669700000000 ] - [ 0.0000100100000000, 0.0003634800000000, 0.0000818500000000 ] - [ 0.0002520300000000, -0.0035321100000000, -0.0000517800000000 ] - [ 0.0004262900000000, 0.0027457800000000, 0.0005131900000000 ] - [ 0.0002552900000000, -0.0006321000000000, 0.0002105500000000 ] - [ 0.0004195500000000, 0.0014326200000000, 0.0003935100000000 ] - [ 0.0041764900000000, -0.0020488000000000, 0.0003846200000000 ] - [ -0.0002848500000000, 0.0016101500000000, -0.0006885800000000 ] - [ 0.0009547200000000, -0.0065654800000000, -0.0034498400000000 ] - [ 0.0001239700000000, 0.0075596200000000, -0.0040111900000000 ] - [ -0.0001851400000000, -0.0018988500000000, 0.0000580300000000 ] - [ -0.0004279300000000, 0.0013753300000000, 0.0011979900000000 ] - [ -0.0003428600000000, -0.0001951400000000, 0.0004789600000000 ] - [ -0.0000206400000000, 0.0001719700000000, 0.0011667600000000 ] - [ 0.0002409100000000, -0.0022853700000000, -0.0005081100000000 ] - [ 0.0003766200000000, 0.0020813300000000, 0.0003587100000000 ] - [ -0.0026292200000000, -0.0046751700000000, -0.0022958100000000 ] - [ 0.0010509600000000, 0.0031497300000000, -0.0002284500000000 ] - [ -0.0054160400000000, -0.0081509300000000, 0.0205534300000000 ] - [ 0.0005569800000000, 0.0031752700000000, -0.0024264900000000 ] - [ 0.0044131900000000, -0.0009650700000000, 0.0017337100000000 ] - [ -0.0007577000000000, 0.0010190200000000, -0.0016832900000000 ] - [ -0.0567916900000000, -0.3131983600000000, -0.0474204100000000 ] - [ 0.0004377000000000, 0.0089034700000000, -0.0032566100000000 ] - [ -0.0000900900000000, -0.0039927900000000, -0.0000223100000000 ] - [ 0.0001931200000000, 0.0043783500000000, 0.0013881900000000 ] - [ 0.0000429000000000, -0.0002687000000000, 0.0004985900000000 ] - [ -0.0002564900000000, 0.0002569000000000, 0.0006938900000000 ] - [ -0.0004516400000000, 0.0021373600000000, -0.0001685000000000 ] - [ -0.0004978500000000, -0.0012506900000000, 0.0005769200000000 ] - [ 0.0006563600000000, -0.0013502300000000, -0.0059585700000000 ] - [ -0.0001324600000000, -0.0010507300000000, 0.0009747100000000 ] - [ 0.0584096400000000, 0.3919620400000000, 0.0734337100000000 ] - [ -0.0009635600000000, -0.0053777800000000, -0.0001410400000000 ] - [ 0.0001896200000000, 0.0007471900000000, 0.0001185400000000 ] - [ 0.0002724200000000, -0.0008096800000000, -0.0004798500000000 ] - [ -0.0002337400000000, 0.0010765100000000, 0.0003399700000000 ] - [ -0.0006082100000000, -0.0009896800000000, -0.0002470100000000 ] - [ 0.0006564400000000, 0.0036952100000000, 0.0013744600000000 ] - [ 0.0002909800000000, -0.0021386900000000, -0.0003385500000000 ] - [ 0.0003012700000000, 0.0000803100000000, 0.0003516400000000 ] - [ -0.0010411700000000, -0.0016670700000000, -0.0014796400000000 ] - [ -0.0085043400000000, -0.0340776700000000, 0.0101653800000000 ] - [ -0.0000375300000000, -0.0061236800000000, 0.0006166700000000 ] - [ 0.0028545500000000, 0.0014784400000000, -0.0026247300000000 ] - [ -0.0008351300000000, -0.0010287500000000, 0.0006725200000000 ] - [ 0.0005074300000000, 0.0037745500000000, -0.0019476500000000 ] - [ 0.0005222100000000, -0.0027098500000000, 0.0007004100000000 ] - [ 0.0005907100000000, 0.0019860600000000, 0.0021911600000000 ] - [ 0.0006065400000000, -0.0035792600000000, -0.0028902300000000 ] - [ 0.0009365000000000, -0.0000161900000000, 0.0012646300000000 ] - [ -0.0005108400000000, -0.0020820000000000, 0.0015069700000000 ] - [ -0.0002935300000000, 0.0003602600000000, -0.0005418900000000 ] - [ -0.0000158600000000, -0.0001972200000000, -0.0006107100000000 ] - [ -0.0001395900000000, 0.0054130700000000, -0.0020395200000000 ] - [ 0.0008040600000000, -0.0026855500000000, 0.0012992900000000 ] - [ -0.0004352900000000, 0.0000162300000000, -0.0003169400000000 ] - [ -0.0005653300000000, 0.0001759900000000, -0.0001476200000000 ] - [ 0.0001663100000000, 0.0007649300000000, 0.0005184800000000 ] - [ 0.0001468700000000, 0.0000097700000000, 0.0002713400000000 ] - [ -0.0000979000000000, -0.0001811200000000, -0.0012850000000000 ] - [ -0.0000951000000000, -0.0011554300000000, -0.0011983100000000 ] - [ 0.0040796700000000, 0.0014142000000000, 0.0004346800000000 ] - [ -0.0011228300000000, -0.0013669000000000, 0.0005002100000000 ] - [ -0.0014094000000000, 0.0023761400000000, -0.0011952500000000 ] - [ -0.0001957400000000, -0.0007403500000000, -0.0000146600000000 ] - [ 0.0005287500000000, 0.0000153900000000, -0.0005893000000000 ] - [ 0.0005388600000000, 0.0000167500000000, -0.0002346100000000 ] - [ -0.0036383300000000, 0.0002395500000000, -0.0029482700000000 ] - [ 0.0014765700000000, -0.0007430400000000, 0.0007600900000000 ] - [ 0.0000460200000000, 0.0002560900000000, 0.0004588700000000 ] - [ -0.0001355700000000, -0.0003962600000000, -0.0002601500000000 ] - [ -0.0014435500000000, -0.0007815800000000, -0.0005012300000000 ] - [ -0.0002992500000000, 0.0000879300000000, 0.0008987100000000 ] - [ -0.0002044900000000, 0.0003215800000000, -0.0005596800000000 ] - [ -0.0001570700000000, -0.0004131700000000, -0.0009284500000000 ] - [ -0.0131805300000000, -0.0096964000000000, -0.0112453100000000 ] - [ 0.0004180800000000, -0.0025310500000000, 0.0006118600000000 ] - [ 0.0004680800000000, 0.0007491800000000, -0.0000663400000000 ] - [ 0.0004849400000000, -0.0006861900000000, -0.0005441000000000 ] - [ 0.0151804500000000, -0.0194699600000000, -0.0232565000000000 ] - [ -0.0000669200000000, -0.0027722400000000, 0.0021181200000000 ] - [ -0.0010868200000000, 0.0007283400000000, -0.0005519800000000 ] - [ -0.0003190300000000, -0.0005155200000000, 0.0003256700000000 ]- atom: 45 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ 0.0004792300000000, -0.0000475900000000, -0.0012150200000000 ] - [ 0.0002703500000000, -0.0000359300000000, -0.0007406100000000 ] - [ -0.0020927500000000, 0.0010012100000000, 0.0010810600000000 ] - [ -0.0004160400000000, -0.0004919800000000, 0.0006086900000000 ] - [ 0.0019627900000000, 0.0016384900000000, 0.0010158700000000 ] - [ 0.0004986100000000, -0.0011040400000000, 0.0004809700000000 ] - [ 0.0010944700000000, 0.0005995200000000, 0.0002621400000000 ] - [ 0.0004360100000000, -0.0006134100000000, 0.0005730500000000 ] - [ -0.0006053300000000, -0.0002770500000000, -0.0009922300000000 ] - [ -0.0000934700000000, 0.0002227100000000, -0.0000349400000000 ] - [ -0.0002456900000000, -0.0000459100000000, -0.0013582200000000 ] - [ -0.0001171300000000, -0.0000169100000000, -0.0007219400000000 ] - [ 0.0000774600000000, -0.0000580500000000, -0.0008690400000000 ] - [ -0.0001401800000000, 0.0001444800000000, -0.0004489700000000 ] - [ 0.0007741900000000, -0.0000518900000000, 0.0039233400000000 ] - [ -0.0002086400000000, -0.0011027200000000, 0.0000773300000000 ] - [ -0.0000793200000000, 0.0006213900000000, -0.0015319600000000 ] - [ 0.0000714100000000, 0.0000403900000000, -0.0012911100000000 ] - [ -0.0010862400000000, -0.0006220300000000, 0.0010591300000000 ] - [ 0.0004389800000000, -0.0002125600000000, 0.0011063800000000 ] - [ -0.0052584300000000, 0.0082188600000000, 0.0178774500000000 ] - [ -0.0000598400000000, 0.0025419400000000, -0.0002848300000000 ] - [ 0.0000593300000000, 0.0007199100000000, -0.0026557600000000 ] - [ -0.0001282100000000, -0.0013894600000000, -0.0016073300000000 ] - [ -0.0003200500000000, 0.0002975700000000, -0.0022752700000000 ] - [ -0.0002288900000000, -0.0001075500000000, -0.0015382200000000 ] - [ 0.0006167000000000, 0.0008129500000000, -0.0021704800000000 ] - [ 0.0006938500000000, -0.0010383600000000, -0.0014190600000000 ] - [ 0.0029231100000000, 0.0012302800000000, 0.0059922000000000 ] - [ 0.0003808500000000, -0.0004907100000000, 0.0031520500000000 ] - [ 0.0044411300000000, -0.0029913100000000, -0.0094993500000000 ] - [ -0.0002294100000000, 0.0012442500000000, 0.0021558800000000 ] - [ -0.0033174200000000, -0.0002331200000000, 0.0001980300000000 ] - [ -0.0005018800000000, 0.0002049800000000, 0.0005694600000000 ] - [ -0.0078539400000000, 0.0274453300000000, 0.0667920700000000 ] - [ -0.0005577600000000, -0.0006752300000000, 0.0045828200000000 ] - [ -0.0012948600000000, 0.0024006700000000, -0.0034701200000000 ] - [ -0.0017788400000000, -0.0027637800000000, -0.0018206300000000 ] - [ 0.0010931500000000, 0.0000706800000000, -0.0032629600000000 ] - [ 0.0008950900000000, 0.0003477700000000, -0.0025676200000000 ] - [ 0.0000346400000000, -0.0005529800000000, 0.0012686000000000 ] - [ -0.0005571200000000, 0.0003621200000000, 0.0004218900000000 ] - [ 0.0008343900000000, 0.0026561200000000, 0.0026481000000000 ] - [ 0.0000605500000000, -0.0014203400000000, -0.0003211700000000 ] - [ 0.0083489100000000, -0.0553975600000000, -0.0906625300000000 ] - [ -0.0002389100000000, 0.0001280100000000, -0.0015868900000000 ] - [ -0.0000421000000000, -0.0004409300000000, 0.0005889500000000 ] - [ 0.0000351000000000, 0.0003445400000000, 0.0002788400000000 ] - [ 0.0004990100000000, -0.0004853700000000, 0.0012271800000000 ] - [ 0.0005225600000000, 0.0006046700000000, 0.0008015600000000 ] - [ -0.0002172600000000, -0.0014000300000000, -0.0024188600000000 ] - [ 0.0004065600000000, 0.0001361600000000, -0.0011235800000000 ] - [ -0.0000884300000000, -0.0010422900000000, 0.0000001300000000 ] - [ -0.0003544800000000, 0.0003403900000000, 0.0001616500000000 ] - [ -0.0019570900000000, -0.0277785800000000, -0.0056016500000000 ] - [ 0.0001287500000000, 0.0035308500000000, -0.0037795500000000 ] - [ -0.0028653800000000, 0.0004260500000000, 0.0010794500000000 ] - [ -0.0004573300000000, -0.0004030900000000, -0.0002315600000000 ] - [ 0.0004393700000000, -0.0022715300000000, 0.0027082300000000 ] - [ 0.0005068800000000, 0.0004004800000000, 0.0001799800000000 ] - [ 0.0004850500000000, -0.0002675100000000, 0.0014179400000000 ] - [ 0.0004639600000000, 0.0041254800000000, 0.0040453900000000 ] - [ -0.0004016100000000, -0.0000808700000000, -0.0018846700000000 ] - [ 0.0001649700000000, 0.0006438800000000, -0.0009608500000000 ] - [ -0.0000119000000000, -0.0000798400000000, 0.0008143600000000 ] - [ -0.0001157400000000, 0.0000717600000000, 0.0005675400000000 ] - [ -0.0015137100000000, 0.0011391100000000, 0.0056760600000000 ] - [ 0.0005946200000000, -0.0004720000000000, 0.0002357400000000 ] - [ -0.0007461000000000, -0.0004509700000000, 0.0013832000000000 ] - [ -0.0007290200000000, -0.0002529700000000, 0.0012071800000000 ] - [ 0.0002534200000000, 0.0009043000000000, 0.0021458900000000 ] - [ 0.0001998600000000, 0.0009537200000000, 0.0017625300000000 ] - [ -0.0004178900000000, 0.0001180300000000, 0.0012094200000000 ] - [ -0.0003083600000000, -0.0000061100000000, 0.0004690900000000 ] - [ -0.0044294900000000, 0.0002079200000000, -0.0015881100000000 ] - [ -0.0009687100000000, -0.0001686000000000, -0.0007903100000000 ] - [ 0.0001712700000000, 0.0000142700000000, -0.0001097500000000 ] - [ -0.0003692000000000, 0.0004974800000000, -0.0005138700000000 ] - [ 0.0006368000000000, -0.0001070400000000, 0.0007974400000000 ] - [ 0.0006745300000000, -0.0004466800000000, 0.0008091400000000 ] - [ 0.0040890100000000, 0.0007448900000000, 0.0012830000000000 ] - [ 0.0010464000000000, -0.0001538600000000, -0.0001554600000000 ] - [ 0.0006887300000000, -0.0004050400000000, 0.0016156900000000 ] - [ 0.0005188000000000, 0.0000607600000000, 0.0011421400000000 ] - [ 0.0003079800000000, 0.0006655300000000, 0.0007793800000000 ] - [ -0.0004017800000000, -0.0002702500000000, 0.0004465000000000 ] - [ -0.0008325300000000, -0.0002941800000000, 0.0011134800000000 ] - [ -0.0006142700000000, 0.0000245000000000, 0.0006038500000000 ] - [ 0.0143670300000000, 0.0162289900000000, -0.0031091800000000 ] - [ -0.0006021700000000, -0.0003829200000000, -0.0019892600000000 ] - [ -0.0006510400000000, -0.0004024300000000, 0.0028694600000000 ] - [ -0.0003025000000000, 0.0004226700000000, 0.0024294700000000 ] - [ -0.0082080000000000, 0.0249339400000000, 0.0062829300000000 ] - [ 0.0013135200000000, -0.0006930200000000, -0.0015879400000000 ] - [ -0.0000571500000000, -0.0000501200000000, -0.0022122000000000 ] - [ 0.0000741800000000, 0.0000566700000000, -0.0015762400000000 ]- atom: 45 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ -0.0003714600000000, -0.0000042500000000, 0.0005297700000000 ] - [ -0.0001589700000000, -0.0000119300000000, 0.0000486500000000 ] - [ 0.0019409100000000, -0.0010906600000000, -0.0009188700000000 ] - [ 0.0002840800000000, 0.0004194400000000, -0.0004245600000000 ] - [ -0.0018611300000000, -0.0015807600000000, -0.0011831300000000 ] - [ -0.0003637900000000, 0.0011943200000000, -0.0006653900000000 ] - [ -0.0012042600000000, -0.0006610500000000, 0.0004215200000000 ] - [ -0.0005549200000000, 0.0005736300000000, 0.0001167200000000 ] - [ 0.0004920200000000, 0.0003228400000000, 0.0016956700000000 ] - [ -0.0000194400000000, -0.0001706100000000, 0.0007261500000000 ] - [ 0.0003862000000000, -0.0000379400000000, 0.0011830100000000 ] - [ 0.0002555900000000, -0.0000629700000000, 0.0005377600000000 ] - [ -0.0002137200000000, 0.0001376600000000, 0.0010591300000000 ] - [ 0.0000041500000000, -0.0000614500000000, 0.0006364200000000 ] - [ -0.0005614300000000, -0.0000041100000000, -0.0044884100000000 ] - [ 0.0003210700000000, 0.0011714000000000, -0.0007633200000000 ] - [ 0.0006406200000000, 0.0001462000000000, 0.0013304000000000 ] - [ 0.0004908900000000, 0.0007398500000000, 0.0010907400000000 ] - [ 0.0016910200000000, -0.0001562700000000, -0.0012580700000000 ] - [ 0.0001198500000000, -0.0005534800000000, -0.0013138500000000 ] - [ 0.0049209500000000, -0.0081038500000000, -0.0184958700000000 ] - [ -0.0004983600000000, -0.0017210600000000, 0.0004592600000000 ] - [ -0.0006192600000000, -0.0014973400000000, 0.0028622600000000 ] - [ -0.0004335300000000, 0.0006237700000000, 0.0018210400000000 ] - [ 0.0000523600000000, -0.0003644900000000, 0.0027592000000000 ] - [ -0.0000373100000000, 0.0000428700000000, 0.0020238200000000 ] - [ 0.0002342100000000, -0.0008599700000000, 0.0014521900000000 ] - [ 0.0001569700000000, 0.0010210600000000, 0.0007012900000000 ] - [ -0.0032088900000000, -0.0011938200000000, -0.0055482500000000 ] - [ -0.0006385200000000, 0.0005735200000000, -0.0026835500000000 ] - [ -0.0053105900000000, 0.0028961200000000, 0.0103328400000000 ] - [ -0.0006166500000000, -0.0012653000000000, -0.0014398800000000 ] - [ 0.0041963200000000, 0.0002585700000000, -0.0009249500000000 ] - [ 0.0013438800000000, -0.0001676400000000, -0.0013050000000000 ] - [ 0.0079527200000000, -0.0286421500000000, -0.0678214500000000 ] - [ 0.0008277700000000, 0.0006522300000000, -0.0050882900000000 ] - [ 0.0004546300000000, -0.0024106500000000, 0.0042066200000000 ] - [ 0.0009424300000000, 0.0028406100000000, 0.0025603500000000 ] - [ -0.0008306300000000, -0.0000096800000000, 0.0027950500000000 ] - [ -0.0006353100000000, -0.0002806000000000, 0.0021041400000000 ] - [ -0.0011002300000000, 0.0006087700000000, -0.0005090100000000 ] - [ -0.0005050500000000, -0.0003272000000000, 0.0003460800000000 ] - [ 0.0002341100000000, -0.0026140500000000, -0.0034451100000000 ] - [ 0.0010003500000000, 0.0014591000000000, -0.0004436200000000 ] - [ -0.0095403500000000, 0.0570609700000000, 0.0922479200000000 ] - [ -0.0008662300000000, -0.0001734500000000, 0.0018454400000000 ] - [ 0.0004911400000000, 0.0003425100000000, -0.0008896600000000 ] - [ 0.0004139100000000, -0.0004517500000000, -0.0005810000000000 ] - [ -0.0009559200000000, 0.0005972200000000, -0.0009286900000000 ] - [ -0.0009810500000000, -0.0005117200000000, -0.0005059100000000 ] - [ 0.0013235900000000, 0.0014401100000000, 0.0021769500000000 ] - [ 0.0006954600000000, -0.0001307100000000, 0.0008684400000000 ] - [ -0.0009946600000000, 0.0001152100000000, -0.0009269100000000 ] - [ -0.0007371200000000, -0.0012819300000000, -0.0011000200000000 ] - [ 0.0015922600000000, 0.0288462400000000, 0.0041846600000000 ] - [ -0.0004472200000000, -0.0025604300000000, 0.0023085100000000 ] - [ 0.0024201000000000, -0.0005208300000000, -0.0007964300000000 ] - [ 0.0000041500000000, 0.0002962700000000, 0.0005335100000000 ] - [ 0.0006229000000000, 0.0022623100000000, -0.0034982500000000 ] - [ 0.0005545800000000, -0.0004647300000000, -0.0009404000000000 ] - [ 0.0006015400000000, 0.0012141000000000, -0.0004773900000000 ] - [ 0.0006264100000000, -0.0032397400000000, -0.0031617000000000 ] - [ 0.0007209400000000, -0.0009279900000000, 0.0033892400000000 ] - [ 0.0001467800000000, -0.0016677300000000, 0.0024630700000000 ] - [ -0.0002088900000000, 0.0002156100000000, -0.0013846900000000 ] - [ -0.0001042200000000, 0.0000592900000000, -0.0011398100000000 ] - [ 0.0025765700000000, -0.0020181700000000, -0.0047082000000000 ] - [ 0.0004934700000000, -0.0004685000000000, 0.0006960600000000 ] - [ -0.0003562100000000, 0.0004684400000000, -0.0011315200000000 ] - [ -0.0003742700000000, 0.0002719400000000, -0.0009528800000000 ] - [ 0.0000641400000000, 0.0001074400000000, -0.0006563700000000 ] - [ 0.0001175200000000, 0.0000549800000000, -0.0002714700000000 ] - [ 0.0001013700000000, -0.0011291200000000, -0.0027085700000000 ] - [ -0.0000079800000000, -0.0010109700000000, -0.0019694600000000 ] - [ 0.0046860700000000, -0.0000684400000000, 0.0021708900000000 ] - [ 0.0011839900000000, 0.0002934000000000, 0.0013626800000000 ] - [ -0.0012641500000000, 0.0009288800000000, -0.0008211200000000 ] - [ -0.0007147100000000, 0.0004257900000000, -0.0004113300000000 ] - [ 0.0004667000000000, 0.0000911600000000, -0.0010588900000000 ] - [ 0.0004290100000000, 0.0004296500000000, -0.0010682700000000 ] - [ -0.0036724000000000, -0.0006418400000000, -0.0015927200000000 ] - [ -0.0005882900000000, 0.0002516700000000, -0.0001375300000000 ] - [ -0.0004683100000000, 0.0002736700000000, -0.0010501100000000 ] - [ -0.0002987900000000, -0.0001958600000000, -0.0005786300000000 ] - [ -0.0013762400000000, -0.0007117900000000, -0.0000140100000000 ] - [ -0.0006580000000000, 0.0002294500000000, 0.0003255900000000 ] - [ 0.0002516000000000, 0.0001503700000000, -0.0018692800000000 ] - [ 0.0000325200000000, -0.0001737800000000, -0.0013601000000000 ] - [ -0.0145108300000000, -0.0163878300000000, 0.0024298600000000 ] - [ 0.0003838100000000, 0.0002394600000000, 0.0014300300000000 ] - [ 0.0012371300000000, 0.0005565200000000, -0.0021277600000000 ] - [ 0.0008879800000000, -0.0002841700000000, -0.0016924800000000 ] - [ 0.0087234600000000, -0.0248581900000000, -0.0056534900000000 ] - [ -0.0007346200000000, 0.0005387800000000, 0.0023488100000000 ] - [ -0.0005297900000000, 0.0002027300000000, 0.0014713800000000 ] - [ -0.0006585100000000, 0.0000868100000000, 0.0008324800000000 ]- atom: 47 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ -0.0006669600000000, -0.0001450900000000, -0.0008949700000000 ] - [ -0.0001629300000000, -0.0000447400000000, -0.0005836600000000 ] - [ 0.0000640700000000, -0.0000409500000000, 0.0002779100000000 ] - [ 0.0000762500000000, -0.0000058500000000, 0.0002680900000000 ] - [ 0.0013976100000000, 0.0000891100000000, 0.0028029800000000 ] - [ 0.0004259000000000, 0.0000450100000000, 0.0001873500000000 ] - [ -0.0001778900000000, 0.0000329400000000, 0.0000909400000000 ] - [ -0.0001894700000000, -0.0000557300000000, 0.0000889200000000 ] - [ -0.0031351000000000, 0.0011956600000000, 0.0008872500000000 ] - [ -0.0027006700000000, -0.0011398200000000, 0.0006148800000000 ] - [ 0.0015416800000000, -0.0001966100000000, 0.0003331200000000 ] - [ 0.0004093500000000, -0.0000468100000000, -0.0000884500000000 ] - [ 0.0040550500000000, -0.0001394500000000, 0.0006641000000000 ] - [ 0.0039295100000000, 0.0001409500000000, 0.0006997800000000 ] - [ -0.0041727500000000, -0.0001144100000000, -0.0020764900000000 ] - [ -0.0006028700000000, 0.0000628500000000, -0.0004210700000000 ] - [ -0.0003993400000000, 0.0016276200000000, 0.0008096000000000 ] - [ -0.0003691600000000, -0.0003924700000000, 0.0008933400000000 ] - [ 0.0034396700000000, 0.0036732800000000, -0.0040088500000000 ] - [ 0.0033581100000000, -0.0036599000000000, -0.0041121900000000 ] - [ -0.0004754200000000, 0.0003623100000000, -0.0000493500000000 ] - [ -0.0003618800000000, 0.0004229400000000, -0.0000560600000000 ] - [ 0.0139405700000000, -0.0000265000000000, 0.0057732000000000 ] - [ -0.0005285700000000, -0.0004479000000000, 0.0000855100000000 ] - [ -0.0185728500000000, -0.0079702500000000, 0.0062600300000000 ] - [ -0.0007201700000000, 0.0004290800000000, 0.0003048600000000 ] - [ 0.3518070300000000, 0.0023417500000000, 0.0201670600000000 ] - [ 0.0026760500000000, -0.0000409200000000, 0.0009572400000000 ] - [ 0.0005757500000000, 0.0005309400000000, -0.0014577200000000 ] - [ -0.0000932300000000, -0.0002312700000000, -0.0005046700000000 ] - [ -0.0005610100000000, -0.0062425400000000, 0.0035678600000000 ] - [ -0.0005188900000000, 0.0058209600000000, 0.0041358900000000 ] - [ 0.0006554300000000, -0.0000771800000000, 0.0000152900000000 ] - [ 0.0006740800000000, 0.0000057700000000, -0.0005046900000000 ] - [ -0.0031846800000000, -0.0000922600000000, -0.0003629600000000 ] - [ -0.0029345500000000, 0.0003248900000000, -0.0001776100000000 ] - [ 0.0005155300000000, 0.0000543500000000, -0.0009041400000000 ] - [ 0.0005114100000000, -0.0000330600000000, -0.0008515500000000 ] - [ 0.0005978800000000, -0.0024797000000000, -0.0051088400000000 ] - [ -0.0008493100000000, 0.0050067100000000, -0.0026449500000000 ] - [ 0.0242746300000000, -0.0139971600000000, 0.0097888600000000 ] - [ -0.0011919400000000, 0.0011417800000000, 0.0000053000000000 ] - [ 0.0010998500000000, 0.0016635900000000, -0.0002905000000000 ] - [ 0.0041196800000000, -0.0050009000000000, -0.0037894000000000 ] - [ 0.0006131100000000, 0.0000255700000000, 0.0001793500000000 ] - [ 0.0000940500000000, -0.0000561700000000, 0.0001136400000000 ] - [ -0.4589600700000000, -0.0026809700000000, -0.0203793000000000 ] - [ -0.0013122000000000, -0.0000589000000000, -0.0004529000000000 ] - [ -0.0009520000000000, -0.0000803100000000, 0.0001628700000000 ] - [ -0.0008873500000000, 0.0001546700000000, 0.0001412100000000 ] - [ -0.0000025300000000, 0.0000122300000000, 0.0004783900000000 ] - [ 0.0002648500000000, 0.0003927800000000, 0.0005748900000000 ] - [ 0.0233411700000000, 0.0142887400000000, 0.0062753100000000 ] - [ -0.0012082700000000, -0.0015325700000000, -0.0010188200000000 ] - [ 0.0004034800000000, 0.0004715400000000, -0.0005346000000000 ] - [ 0.0003959400000000, 0.0005186700000000, -0.0007299400000000 ] - [ -0.0017597200000000, 0.0024689700000000, -0.0015310800000000 ] - [ -0.0017598700000000, -0.0025795600000000, -0.0015489900000000 ] - [ 0.0003883500000000, -0.0001838600000000, -0.0000115200000000 ] - [ 0.0004241200000000, -0.0001272600000000, -0.0000218500000000 ] - [ 0.0003891000000000, 0.0005558000000000, 0.0008407700000000 ] - [ 0.0003127000000000, 0.0005646500000000, 0.0008670000000000 ] - [ -0.0010540000000000, -0.0008462400000000, 0.0024656800000000 ] - [ -0.0000515700000000, -0.0011407400000000, 0.0012975600000000 ] - [ 0.0009881600000000, 0.0002788500000000, 0.0012937800000000 ] - [ 0.0014343400000000, -0.0008985700000000, 0.0008296300000000 ] - [ 0.0038892200000000, 0.0044023200000000, -0.0028149100000000 ] - [ 0.0011070500000000, -0.0022519100000000, 0.0004380900000000 ] - [ 0.0002061600000000, -0.0038794300000000, 0.0043875300000000 ] - [ -0.0008489300000000, 0.0012725200000000, 0.0008960200000000 ] - [ 0.0038669800000000, -0.0002827100000000, -0.0036388700000000 ] - [ 0.0003414200000000, 0.0004330800000000, 0.0005460400000000 ] - [ 0.0006637800000000, 0.0040726400000000, 0.0030517400000000 ] - [ 0.0001952500000000, -0.0019639700000000, -0.0004372300000000 ] - [ 0.0003711800000000, -0.0000059400000000, 0.0008245300000000 ] - [ 0.0003401400000000, 0.0001198600000000, 0.0005840300000000 ] - [ -0.0004988300000000, 0.0004667500000000, -0.0007034400000000 ] - [ -0.0005171100000000, 0.0005509000000000, -0.0004952000000000 ] - [ 0.0006848000000000, -0.0006136000000000, -0.0003348200000000 ] - [ 0.0029510700000000, 0.0030567300000000, -0.0021944800000000 ] - [ -0.0000134400000000, 0.0000718900000000, -0.0002980100000000 ] - [ 0.0000632200000000, 0.0000519100000000, -0.0001338700000000 ] - [ 0.0128496100000000, -0.0002833700000000, 0.0020030600000000 ] - [ 0.0008004300000000, -0.0001438000000000, 0.0003142800000000 ] - [ -0.0004403500000000, 0.0000242400000000, 0.0001639100000000 ] - [ -0.0004658600000000, -0.0001028400000000, 0.0003529700000000 ] - [ 0.0320791000000000, 0.0039240800000000, -0.0235403500000000 ] - [ -0.0004674200000000, -0.0001101200000000, -0.0008233400000000 ] - [ 0.0022295500000000, -0.0005145700000000, 0.0010196600000000 ] - [ 0.0017076600000000, 0.0004818300000000, 0.0006702900000000 ] - [ -0.0007103800000000, 0.0002453200000000, 0.0019639900000000 ] - [ -0.0007505200000000, -0.0007959200000000, 0.0016516100000000 ] - [ 0.0015968000000000, 0.0004701600000000, -0.0015696500000000 ] - [ 0.0016525300000000, -0.0009507100000000, -0.0016462800000000 ] - [ -0.0009811100000000, 0.0001556500000000, -0.0001710100000000 ] - [ -0.0005792000000000, 0.0002006900000000, -0.0001486300000000 ]- atom: 47 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ 0.0007805500000000, 0.0000952600000000, 0.0001975100000000 ] - [ 0.0002758500000000, -0.0000052800000000, -0.0001084700000000 ] - [ -0.0001999600000000, -0.0000401300000000, -0.0000938400000000 ] - [ -0.0002124500000000, -0.0000763300000000, -0.0000839100000000 ] - [ -0.0012093900000000, -0.0000061600000000, -0.0030362900000000 ] - [ -0.0002857000000000, 0.0000363700000000, -0.0003743200000000 ] - [ 0.0000656100000000, -0.0000819600000000, 0.0005988000000000 ] - [ 0.0000777800000000, 0.0000055400000000, 0.0006008500000000 ] - [ 0.0030164600000000, -0.0011580900000000, -0.0001963800000000 ] - [ 0.0025847700000000, 0.0011990100000000, 0.0000761500000000 ] - [ -0.0014059000000000, 0.0001143200000000, -0.0005110200000000 ] - [ -0.0002703900000000, -0.0000347100000000, -0.0000949200000000 ] - [ -0.0041942900000000, 0.0002553700000000, -0.0004646400000000 ] - [ -0.0040690800000000, -0.0000961600000000, -0.0004985100000000 ] - [ 0.0042834500000000, 0.0001647300000000, 0.0013979400000000 ] - [ 0.0007146500000000, -0.0000137000000000, -0.0002699900000000 ] - [ 0.0009568600000000, -0.0008593500000000, -0.0010186500000000 ] - [ 0.0009282300000000, 0.0011697800000000, -0.0011025100000000 ] - [ -0.0029057500000000, -0.0044377000000000, 0.0037991200000000 ] - [ -0.0028241600000000, 0.0028712000000000, 0.0039025200000000 ] - [ -0.0000851200000000, 0.0004113600000000, 0.0002534400000000 ] - [ -0.0001980700000000, 0.0003506900000000, 0.0002608000000000 ] - [ -0.0132157200000000, -0.0007340500000000, -0.0050543800000000 ] - [ -0.0000235500000000, -0.0003266600000000, 0.0001231100000000 ] - [ 0.0182817100000000, 0.0079270200000000, -0.0057875600000000 ] - [ 0.0004429100000000, -0.0004953400000000, 0.0001751600000000 ] - [ -0.3762014100000000, -0.0025982000000000, -0.0222042500000000 ] - [ -0.0018378000000000, 0.0000108800000000, -0.0016868900000000 ] - [ -0.0008414500000000, -0.0004574900000000, 0.0019136900000000 ] - [ -0.0001733300000000, 0.0002954500000000, 0.0009779700000000 ] - [ -0.0002176000000000, 0.0061689100000000, -0.0028204200000000 ] - [ -0.0002586200000000, -0.0058130900000000, -0.0033814500000000 ] - [ 0.0001939700000000, 0.0001090100000000, -0.0007528300000000 ] - [ 0.0001743800000000, 0.0000253100000000, -0.0002247500000000 ] - [ 0.0034560400000000, 0.0000262900000000, -0.0001068100000000 ] - [ 0.0032047600000000, -0.0003900600000000, -0.0002959900000000 ] - [ -0.0013624600000000, -0.0000233900000000, 0.0016320300000000 ] - [ -0.0013574400000000, 0.0000649200000000, 0.0015776300000000 ] - [ -0.0003163700000000, 0.0025296700000000, 0.0046106200000000 ] - [ 0.0011217400000000, -0.0049192200000000, 0.0021638100000000 ] - [ -0.0256731200000000, 0.0142939200000000, -0.0091852600000000 ] - [ 0.0001371900000000, -0.0010997400000000, 0.0007644900000000 ] - [ -0.0000498700000000, -0.0016122100000000, -0.0004808700000000 ] - [ -0.0030467800000000, 0.0049940400000000, 0.0029857000000000 ] - [ -0.0017195500000000, -0.0000446800000000, 0.0000749600000000 ] - [ -0.0011982300000000, 0.0000365300000000, 0.0001422000000000 ] - [ 0.4842129700000000, 0.0027816400000000, 0.0207973400000000 ] - [ 0.0017669000000000, -0.0000439600000000, 0.0001560100000000 ] - [ 0.0004997400000000, 0.0001831800000000, 0.0001363700000000 ] - [ 0.0004360700000000, -0.0000522900000000, 0.0001582900000000 ] - [ 0.0011091600000000, 0.0000016300000000, -0.0007297700000000 ] - [ 0.0008409300000000, -0.0003735600000000, -0.0008299800000000 ] - [ -0.0247441400000000, -0.0154781100000000, -0.0073156300000000 ] - [ 0.0001299500000000, 0.0006006800000000, 0.0000932600000000 ] - [ -0.0007208400000000, 0.0005417100000000, -0.0009621400000000 ] - [ -0.0007130900000000, 0.0004942300000000, -0.0007652800000000 ] - [ 0.0012656100000000, -0.0025901000000000, 0.0018390000000000 ] - [ 0.0012654700000000, 0.0024954300000000, 0.0018560300000000 ] - [ 0.0006742300000000, 0.0001407200000000, -0.0007554900000000 ] - [ 0.0006386600000000, 0.0000837900000000, -0.0007453100000000 ] - [ 0.0006975800000000, 0.0003753200000000, 0.0000883800000000 ] - [ 0.0007734000000000, 0.0003658300000000, 0.0000631900000000 ] - [ 0.0013817500000000, -0.0001680400000000, -0.0009520400000000 ] - [ 0.0003707300000000, 0.0001282500000000, 0.0001989900000000 ] - [ -0.0012090100000000, -0.0001419000000000, -0.0018559700000000 ] - [ -0.0016553300000000, 0.0010279900000000, -0.0013967000000000 ] - [ -0.0027934200000000, -0.0052866400000000, 0.0037060700000000 ] - [ -0.0000334100000000, 0.0013121000000000, 0.0004853900000000 ] - [ -0.0013318400000000, 0.0038779600000000, -0.0041123200000000 ] - [ -0.0002598000000000, -0.0012454300000000, -0.0006367000000000 ] - [ -0.0035536900000000, 0.0013025600000000, 0.0051668300000000 ] - [ -0.0000211600000000, 0.0005781900000000, 0.0009479000000000 ] - [ -0.0009990800000000, -0.0050535200000000, -0.0045280600000000 ] - [ -0.0005187900000000, 0.0009435800000000, -0.0010596100000000 ] - [ -0.0001448800000000, 0.0001377900000000, -0.0002485600000000 ] - [ -0.0001159600000000, 0.0000136900000000, -0.0000136700000000 ] - [ -0.0005862100000000, 0.0004636300000000, -0.0002214400000000 ] - [ -0.0005676000000000, 0.0003787800000000, -0.0004321000000000 ] - [ 0.0004266400000000, 0.0005981700000000, 0.0000759800000000 ] - [ -0.0018342500000000, -0.0030970700000000, 0.0019488600000000 ] - [ 0.0004673400000000, 0.0000308500000000, 0.0000010300000000 ] - [ 0.0003898800000000, 0.0000510400000000, -0.0001647700000000 ] - [ -0.0125531600000000, 0.0001411600000000, -0.0014242600000000 ] - [ -0.0005743700000000, 0.0000104500000000, 0.0002551800000000 ] - [ -0.0006204400000000, -0.0000662400000000, 0.0006077400000000 ] - [ -0.0005949900000000, 0.0000611800000000, 0.0004161800000000 ] - [ -0.0329614500000000, -0.0040534600000000, 0.0230999200000000 ] - [ -0.0001092900000000, -0.0000359300000000, 0.0000688300000000 ] - [ -0.0024509700000000, 0.0003837200000000, -0.0015942400000000 ] - [ -0.0019288700000000, -0.0006176700000000, -0.0012434100000000 ] - [ 0.0012880300000000, -0.0000979800000000, -0.0012095100000000 ] - [ 0.0013287600000000, 0.0009376500000000, -0.0008983800000000 ] - [ -0.0010219500000000, -0.0006120300000000, 0.0023171900000000 ] - [ -0.0010768900000000, 0.0007993000000000, 0.0023915400000000 ] - [ 0.0003925500000000, -0.0000071400000000, -0.0005733500000000 ] - [ -0.0000048400000000, -0.0000530100000000, -0.0006004300000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000693900000000, 0.0003210700000000, -0.0002754800000000 ] - [ 0.0000466800000000, -0.0003367000000000, -0.0003884700000000 ] - [ -0.0000044300000000, -0.0000232600000000, 0.0002815900000000 ] - [ -0.0001259000000000, -0.0000579700000000, -0.0000877500000000 ] - [ 0.0001349700000000, 0.0022661500000000, -0.0000812400000000 ] - [ 0.0000265700000000, -0.0010030800000000, -0.0000905400000000 ] - [ -0.0001100000000000, -0.0000315400000000, 0.0003958400000000 ] - [ -0.0000090800000000, -0.0000223400000000, 0.0003038800000000 ] - [ 0.0005823000000000, -0.0005162100000000, -0.0002761200000000 ] - [ -0.0007971300000000, -0.0007942000000000, 0.0009111600000000 ] - [ 0.0000387700000000, 0.0004781700000000, -0.0000013900000000 ] - [ 0.0000874900000000, -0.0004307000000000, -0.0001565400000000 ] - [ 0.0002004200000000, -0.0024422200000000, -0.0015597700000000 ] - [ -0.0000012200000000, -0.0029303000000000, 0.0020928200000000 ] - [ 0.0000092600000000, 0.0020717500000000, -0.0005880400000000 ] - [ 0.0000738700000000, -0.0007869500000000, -0.0002975900000000 ] - [ 0.0002388600000000, 0.0005871700000000, -0.0004117400000000 ] - [ 0.0003130200000000, 0.0001604100000000, 0.0002242400000000 ] - [ 0.0006966700000000, -0.0032963000000000, 0.0033981500000000 ] - [ -0.0001437100000000, -0.0028504500000000, -0.0040070500000000 ] - [ -0.0002973300000000, 0.0010100000000000, 0.0001701200000000 ] - [ -0.0002751900000000, -0.0002451000000000, 0.0000558800000000 ] - [ -0.0003549400000000, 0.0042250300000000, 0.0001031700000000 ] - [ -0.0002710800000000, -0.0024134800000000, 0.0001545900000000 ] - [ 0.0004344500000000, 0.0014463500000000, 0.0006756200000000 ] - [ -0.0002184200000000, -0.0016485100000000, 0.0004000000000000 ] - [ 0.0044294700000000, 0.0634067400000000, -0.0010716600000000 ] - [ 0.0004338900000000, -0.0041597700000000, -0.0001500400000000 ] - [ 0.0000484000000000, 0.0017169100000000, -0.0000831700000000 ] - [ -0.0002920800000000, -0.0013929200000000, 0.0005943600000000 ] - [ -0.0046761400000000, -0.0014389600000000, 0.0013341500000000 ] - [ 0.0037109900000000, -0.0014981500000000, -0.0008768800000000 ] - [ 0.0004225800000000, 0.0004507800000000, -0.0003143700000000 ] - [ 0.0004461400000000, -0.0004154100000000, -0.0004160900000000 ] - [ 0.0002716000000000, 0.0008314100000000, 0.0014154000000000 ] - [ 0.0002000900000000, -0.0007842100000000, -0.0016954600000000 ] - [ -0.0002271000000000, 0.0000609000000000, -0.0006470700000000 ] - [ -0.0005918500000000, -0.0000554400000000, 0.0012674000000000 ] - [ 0.0000110300000000, -0.0012260700000000, -0.0022503800000000 ] - [ 0.0006137100000000, -0.0004754100000000, 0.0012572000000000 ] - [ -0.0283412000000000, -0.0004631800000000, -0.0081836200000000 ] - [ -0.0006422800000000, 0.0025239300000000, 0.0000454400000000 ] - [ 0.0013660000000000, 0.0012638100000000, -0.0000317000000000 ] - [ -0.0010884300000000, -0.0001062700000000, 0.0000645300000000 ] - [ -0.0006006600000000, -0.0008089600000000, -0.0002919100000000 ] - [ -0.0004881300000000, 0.0007481800000000, 0.0005587500000000 ] - [ -0.0032774500000000, -0.0566502400000000, -0.0000105700000000 ] - [ 0.0002165100000000, 0.0016395800000000, -0.0001869800000000 ] - [ -0.0003608700000000, 0.0000131000000000, 0.0003588700000000 ] - [ -0.0001236400000000, 0.0000978400000000, -0.0000430400000000 ] - [ 0.0004683600000000, -0.0010203000000000, -0.0007127400000000 ] - [ 0.0006040200000000, 0.0010513300000000, 0.0004663400000000 ] - [ 0.0289504500000000, 0.0015870000000000, 0.0066375700000000 ] - [ -0.0005310700000000, 0.0020731300000000, -0.0002993300000000 ] - [ -0.0001855800000000, 0.0007429500000000, -0.0014932600000000 ] - [ -0.0001837100000000, 0.0002757000000000, -0.0001122900000000 ] - [ 0.0023275200000000, 0.0025422800000000, -0.0018174000000000 ] - [ -0.0027559800000000, 0.0025176400000000, 0.0021594400000000 ] - [ 0.0005626200000000, -0.0003320100000000, -0.0001319000000000 ] - [ 0.0005025100000000, 0.0002746400000000, -0.0006233100000000 ] - [ 0.0005352100000000, 0.0007080300000000, 0.0007286900000000 ] - [ 0.0005637900000000, 0.0002666300000000, 0.0002089400000000 ] - [ 0.0001348500000000, -0.0019760700000000, 0.0015784100000000 ] - [ 0.0001926000000000, 0.0006272900000000, 0.0001643400000000 ] - [ 0.0002917100000000, 0.0001871600000000, 0.0004790900000000 ] - [ -0.0005403500000000, 0.0002572800000000, -0.0008544300000000 ] - [ 0.0020474400000000, -0.0006850700000000, 0.0000582700000000 ] - [ -0.0002728700000000, 0.0008433900000000, 0.0002039200000000 ] - [ -0.0014327200000000, -0.0001718400000000, -0.0008355100000000 ] - [ -0.0004083600000000, 0.0008014400000000, 0.0003810700000000 ] - [ 0.0000923900000000, 0.0000095600000000, 0.0004404700000000 ] - [ 0.0001602400000000, 0.0011071500000000, 0.0009149500000000 ] - [ 0.0010105200000000, 0.0000797200000000, 0.0007882600000000 ] - [ -0.0006986100000000, 0.0000120100000000, -0.0014705900000000 ] - [ 0.0000865700000000, -0.0003340100000000, 0.0003843300000000 ] - [ 0.0001754900000000, 0.0004223800000000, 0.0002543800000000 ] - [ -0.0005162400000000, 0.0001885600000000, -0.0004299700000000 ] - [ -0.0005771200000000, 0.0007334500000000, -0.0005074100000000 ] - [ 0.0001791400000000, 0.0009676100000000, 0.0001322900000000 ] - [ 0.0008245500000000, -0.0015358200000000, -0.0005487400000000 ] - [ 0.0002062800000000, -0.0001304100000000, -0.0001677700000000 ] - [ 0.0002256100000000, 0.0002338300000000, -0.0001341700000000 ] - [ 0.0002622600000000, -0.0011785500000000, 0.0001344100000000 ] - [ 0.0000552300000000, 0.0006771400000000, 0.0001965300000000 ] - [ -0.0005802500000000, -0.0002446100000000, 0.0002789400000000 ] - [ -0.0004853300000000, 0.0002085700000000, 0.0004805900000000 ] - [ -0.0031889200000000, -0.0095857700000000, 0.0017651500000000 ] - [ -0.0000139800000000, 0.0009702800000000, -0.0005238300000000 ] - [ -0.0008444900000000, 0.0000210500000000, -0.0013168400000000 ] - [ 0.0004522600000000, 0.0003463000000000, 0.0005545900000000 ] - [ 0.0001652700000000, 0.0001759700000000, 0.0013663000000000 ] - [ 0.0004320600000000, 0.0001834900000000, -0.0004683300000000 ] - [ 0.0012168800000000, -0.0001013200000000, -0.0008288100000000 ] - [ -0.0006897200000000, 0.0000478000000000, 0.0016311600000000 ] - [ -0.0002591900000000, -0.0002444000000000, -0.0003140100000000 ] - [ -0.0003662100000000, 0.0003844200000000, -0.0003863400000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000395700000000, -0.0003716500000000, -0.0004160700000000 ] - [ 0.0000646600000000, 0.0002860200000000, -0.0003047500000000 ] - [ -0.0001329500000000, -0.0000583300000000, -0.0000957600000000 ] - [ -0.0000116300000000, -0.0000252300000000, 0.0002739800000000 ] - [ 0.0000068100000000, -0.0021851200000000, -0.0001001400000000 ] - [ 0.0001114500000000, 0.0010844600000000, -0.0000918700000000 ] - [ -0.0000027600000000, -0.0000179100000000, 0.0002954600000000 ] - [ -0.0001036300000000, -0.0000287600000000, 0.0003878500000000 ] - [ -0.0007021000000000, 0.0005744800000000, 0.0009695900000000 ] - [ 0.0006793400000000, 0.0008358700000000, -0.0002198100000000 ] - [ 0.0001052900000000, -0.0005616800000000, -0.0001803000000000 ] - [ 0.0000513400000000, 0.0003480400000000, -0.0000309000000000 ] - [ -0.0003453900000000, 0.0026009500000000, 0.0017719100000000 ] - [ -0.0001431400000000, 0.0029508300000000, -0.0018899600000000 ] - [ 0.0000910800000000, -0.0020244200000000, -0.0001118900000000 ] - [ 0.0000373700000000, 0.0008365000000000, -0.0003935500000000 ] - [ 0.0003198300000000, 0.0001965500000000, 0.0002107200000000 ] - [ 0.0002458700000000, 0.0006059400000000, -0.0004248800000000 ] - [ -0.0001221300000000, 0.0025374900000000, -0.0036086200000000 ] - [ 0.0007156200000000, 0.0020655800000000, 0.0037994200000000 ] - [ -0.0002630300000000, -0.0002371600000000, 0.0000340700000000 ] - [ -0.0002851600000000, 0.0010186300000000, 0.0001488400000000 ] - [ -0.0003082600000000, -0.0049977800000000, 0.0000725000000000 ] - [ -0.0002950300000000, 0.0016386500000000, 0.0000488500000000 ] - [ -0.0007888500000000, -0.0015796700000000, -0.0001533000000000 ] - [ -0.0000415200000000, 0.0015839200000000, 0.0000710100000000 ] - [ -0.0016194100000000, -0.0633935400000000, 0.0005178700000000 ] - [ 0.0004280600000000, 0.0041270900000000, -0.0005689000000000 ] - [ -0.0003145800000000, -0.0016479600000000, 0.0005533400000000 ] - [ 0.0000263200000000, 0.0014566500000000, -0.0001172900000000 ] - [ 0.0038001500000000, 0.0014115100000000, -0.0006043000000000 ] - [ -0.0045853900000000, 0.0014612700000000, 0.0016052600000000 ] - [ 0.0004273900000000, -0.0004202600000000, -0.0004102700000000 ] - [ 0.0004033800000000, 0.0004462900000000, -0.0003085700000000 ] - [ -0.0000151000000000, -0.0008943500000000, -0.0018916300000000 ] - [ 0.0000585600000000, 0.0007184000000000, 0.0012208500000000 ] - [ -0.0006174600000000, -0.0000281800000000, 0.0013672500000000 ] - [ -0.0002532800000000, 0.0000840500000000, -0.0005465600000000 ] - [ 0.0002506800000000, 0.0012913500000000, 0.0017620000000000 ] - [ -0.0003542600000000, 0.0005383000000000, -0.0017442100000000 ] - [ 0.0270808400000000, 0.0004927400000000, 0.0088370700000000 ] - [ -0.0004256000000000, -0.0024772900000000, 0.0007182700000000 ] - [ -0.0002969100000000, -0.0012209700000000, -0.0007344300000000 ] - [ 0.0021602900000000, 0.0001528800000000, -0.0008316000000000 ] - [ -0.0005019500000000, 0.0007892500000000, 0.0005487000000000 ] - [ -0.0006142800000000, -0.0007668400000000, -0.0003032900000000 ] - [ 0.0021805500000000, 0.0566025800000000, -0.0001504000000000 ] - [ 0.0002305200000000, -0.0017435300000000, -0.0001156800000000 ] - [ -0.0000952700000000, 0.0000875800000000, -0.0000594400000000 ] - [ -0.0003312100000000, 0.0000055800000000, 0.0003425300000000 ] - [ 0.0006347700000000, 0.0010350700000000, 0.0004576500000000 ] - [ 0.0004990000000000, -0.0010328800000000, -0.0007220900000000 ] - [ -0.0303093600000000, -0.0025557300000000, -0.0076671800000000 ] - [ -0.0005617700000000, -0.0030082900000000, -0.0006350700000000 ] - [ -0.0001299200000000, 0.0002688200000000, -0.0000023000000000 ] - [ -0.0001322900000000, 0.0007374300000000, -0.0013841400000000 ] - [ -0.0027633800000000, -0.0026211100000000, 0.0020928500000000 ] - [ 0.0023205300000000, -0.0026456300000000, -0.0018832400000000 ] - [ 0.0004994600000000, 0.0002863900000000, -0.0006344700000000 ] - [ 0.0005591400000000, -0.0003177400000000, -0.0001434100000000 ] - [ 0.0005501500000000, 0.0002217500000000, 0.0002015100000000 ] - [ 0.0005217300000000, 0.0006653300000000, 0.0007209700000000 ] - [ 0.0001819000000000, 0.0009633200000000, -0.0000765600000000 ] - [ 0.0001238800000000, -0.0016427100000000, 0.0013306800000000 ] - [ -0.0005085100000000, -0.0000562300000000, -0.0010428700000000 ] - [ 0.0003225500000000, -0.0001239600000000, 0.0002886100000000 ] - [ -0.0009524000000000, -0.0002506600000000, 0.0008698500000000 ] - [ 0.0013655700000000, -0.0017758700000000, 0.0007260200000000 ] - [ 0.0003335600000000, 0.0001913200000000, 0.0010976100000000 ] - [ -0.0006932300000000, -0.0007856300000000, -0.0001197800000000 ] - [ 0.0002431700000000, 0.0009987600000000, 0.0010260600000000 ] - [ 0.0001562300000000, -0.0000929100000000, 0.0005832700000000 ] - [ -0.0013180600000000, -0.0010925200000000, -0.0022769700000000 ] - [ 0.0003865500000000, -0.0010243400000000, -0.0000187800000000 ] - [ 0.0001363300000000, 0.0004658800000000, 0.0001862500000000 ] - [ 0.0000474200000000, -0.0002895500000000, 0.0003148800000000 ] - [ -0.0005699800000000, 0.0007415100000000, -0.0005004800000000 ] - [ -0.0005088800000000, 0.0001973300000000, -0.0004216000000000 ] - [ 0.0009205000000000, -0.0009884500000000, -0.0003870300000000 ] - [ 0.0002839700000000, 0.0015389000000000, 0.0002831200000000 ] - [ 0.0002463900000000, 0.0002328500000000, -0.0001320700000000 ] - [ 0.0002259600000000, -0.0001314600000000, -0.0001652700000000 ] - [ -0.0000083700000000, 0.0010509700000000, 0.0004360700000000 ] - [ 0.0001663900000000, -0.0008112600000000, 0.0003725900000000 ] - [ -0.0004820300000000, 0.0002018600000000, 0.0004873500000000 ] - [ -0.0005769100000000, -0.0002531100000000, 0.0002860600000000 ] - [ 0.0027847600000000, 0.0094638400000000, -0.0025996900000000 ] - [ -0.0005771600000000, -0.0011208000000000, -0.0002260500000000 ] - [ 0.0006277800000000, -0.0001569400000000, 0.0007508700000000 ] - [ -0.0006716400000000, -0.0004788700000000, -0.0011227200000000 ] - [ 0.0004183600000000, -0.0000291900000000, -0.0006086000000000 ] - [ 0.0001520600000000, -0.0000355500000000, 0.0012247500000000 ] - [ -0.0006238500000000, -0.0000495000000000, 0.0015734700000000 ] - [ 0.0012807500000000, -0.0001947800000000, -0.0008860000000000 ] - [ -0.0003278400000000, 0.0003926700000000, -0.0004373000000000 ] - [ -0.0002179900000000, -0.0002371500000000, -0.0003657700000000 ]- atom: 47 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ 0.0001738200000000, -0.0000883600000000, -0.0010725600000000 ] - [ 0.0000167400000000, 0.0000104500000000, -0.0005858800000000 ] - [ -0.0000500300000000, 0.0000722200000000, -0.0005713700000000 ] - [ -0.0000630100000000, -0.0001474500000000, -0.0004973800000000 ] - [ 0.0010043100000000, 0.0000289100000000, -0.0009782000000000 ] - [ -0.0000167400000000, 0.0000749000000000, -0.0001985900000000 ] - [ -0.0001057900000000, 0.0000593400000000, -0.0001920300000000 ] - [ -0.0001019300000000, -0.0000743000000000, -0.0001811400000000 ] - [ 0.0003140400000000, -0.0003507700000000, 0.0014664300000000 ] - [ 0.0002249500000000, 0.0003581100000000, 0.0013290500000000 ] - [ -0.0002432800000000, 0.0001327600000000, -0.0021292600000000 ] - [ 0.0000975700000000, -0.0000444500000000, -0.0002370600000000 ] - [ -0.0005617000000000, -0.0015610900000000, 0.0020467500000000 ] - [ -0.0006436700000000, 0.0015848400000000, 0.0018252300000000 ] - [ 0.0002419300000000, -0.0001405400000000, -0.0000015700000000 ] - [ 0.0002413300000000, 0.0000902300000000, -0.0001753400000000 ] - [ 0.0005411800000000, -0.0010103200000000, -0.0014127300000000 ] - [ 0.0004220900000000, 0.0013036000000000, -0.0014275300000000 ] - [ -0.0009511500000000, 0.0014508400000000, -0.0006889700000000 ] - [ -0.0012128200000000, -0.0020345400000000, -0.0003084600000000 ] - [ -0.0003827400000000, 0.0003226500000000, -0.0013268400000000 ] - [ -0.0002773200000000, 0.0004999300000000, -0.0008585400000000 ] - [ 0.0021212900000000, -0.0004149700000000, 0.0059535700000000 ] - [ -0.0003879100000000, -0.0002225400000000, 0.0015799100000000 ] - [ 0.0135157300000000, 0.0088976700000000, -0.0050148100000000 ] - [ 0.0000143600000000, -0.0005709300000000, 0.0012533200000000 ] - [ -0.0841698100000000, -0.0009825900000000, 0.0504639400000000 ] - [ 0.0004111900000000, 0.0000958000000000, 0.0010760000000000 ] - [ -0.0001935000000000, 0.0005074100000000, -0.0027550300000000 ] - [ -0.0000540100000000, -0.0002018700000000, -0.0007601400000000 ] - [ 0.0020870200000000, 0.0025349800000000, 0.0003112600000000 ] - [ 0.0021640800000000, -0.0021596600000000, 0.0002543400000000 ] - [ 0.0006321800000000, 0.0000610400000000, -0.0029842300000000 ] - [ 0.0003394600000000, 0.0000612700000000, -0.0014615900000000 ] - [ 0.0008087200000000, 0.0005820100000000, -0.0013223500000000 ] - [ 0.0009967200000000, -0.0005171100000000, -0.0013272600000000 ] - [ -0.0006912700000000, -0.0003226700000000, -0.0010476300000000 ] - [ -0.0006179500000000, 0.0003718600000000, -0.0008632300000000 ] - [ -0.0001002200000000, -0.0009887100000000, -0.0004770300000000 ] - [ 0.0000077100000000, 0.0027849000000000, -0.0002448000000000 ] - [ 0.0098353600000000, -0.0039901200000000, -0.0094733600000000 ] - [ -0.0005635700000000, 0.0002530100000000, -0.0003340900000000 ] - [ -0.0001651800000000, -0.0011236100000000, -0.0012594200000000 ] - [ -0.0013512500000000, 0.0011026200000000, -0.0012222300000000 ] - [ -0.0011340500000000, -0.0002738300000000, 0.0007798900000000 ] - [ -0.0007034600000000, 0.0003224800000000, 0.0005693700000000 ] - [ 0.1073102400000000, 0.0007065900000000, -0.0522482200000000 ] - [ 0.0003451100000000, -0.0000837300000000, -0.0008176400000000 ] - [ -0.0000191000000000, 0.0002894100000000, 0.0007372000000000 ] - [ -0.0000567400000000, -0.0001628600000000, 0.0006757200000000 ] - [ 0.0008301200000000, -0.0001724900000000, 0.0008256100000000 ] - [ 0.0006097900000000, 0.0002878300000000, 0.0003343900000000 ] - [ 0.0054906100000000, 0.0018699500000000, -0.0117458400000000 ] - [ -0.0006518900000000, -0.0007821600000000, -0.0012487000000000 ] - [ -0.0002734400000000, 0.0000138700000000, 0.0000739900000000 ] - [ -0.0003114200000000, 0.0004282400000000, -0.0000780400000000 ] - [ -0.0014581800000000, -0.0026696400000000, 0.0004314700000000 ] - [ -0.0014407100000000, 0.0025049300000000, 0.0004362100000000 ] - [ 0.0006883500000000, -0.0001106300000000, 0.0003886500000000 ] - [ 0.0006722600000000, -0.0004035200000000, 0.0002230200000000 ] - [ 0.0007004600000000, 0.0008380400000000, 0.0010723500000000 ] - [ 0.0006596800000000, 0.0004457100000000, 0.0011994700000000 ] - [ 0.0010735200000000, -0.0006353700000000, 0.0027143000000000 ] - [ 0.0002104800000000, -0.0008175100000000, 0.0011721400000000 ] - [ -0.0001638300000000, 0.0003486300000000, -0.0000649400000000 ] - [ 0.0000570500000000, -0.0006723800000000, 0.0001529000000000 ] - [ -0.0013737400000000, -0.0018037700000000, -0.0001730700000000 ] - [ -0.0001981700000000, 0.0005533900000000, -0.0002179900000000 ] - [ 0.0008503500000000, -0.0016527000000000, 0.0008745200000000 ] - [ -0.0005229500000000, 0.0005493800000000, -0.0001006300000000 ] - [ -0.0028196600000000, 0.0010220000000000, 0.0050894000000000 ] - [ 0.0001294200000000, 0.0003373000000000, 0.0005142300000000 ] - [ 0.0005601000000000, 0.0002506700000000, -0.0009659500000000 ] - [ 0.0000116700000000, -0.0014482800000000, -0.0015635800000000 ] - [ 0.0006635200000000, 0.0000635300000000, 0.0015156400000000 ] - [ 0.0002607300000000, 0.0001278200000000, 0.0007594700000000 ] - [ -0.0005175200000000, 0.0002264900000000, 0.0006405700000000 ] - [ -0.0004974600000000, 0.0002042400000000, 0.0001131000000000 ] - [ 0.0003350900000000, 0.0006590400000000, -0.0005094100000000 ] - [ -0.0011271500000000, -0.0035300800000000, 0.0010800600000000 ] - [ 0.0001432100000000, 0.0000634300000000, 0.0007226400000000 ] - [ 0.0002822100000000, 0.0000368000000000, 0.0002473400000000 ] - [ -0.0052384900000000, -0.0009893900000000, -0.0019292700000000 ] - [ -0.0002007600000000, 0.0000301500000000, -0.0003194900000000 ] - [ -0.0004646300000000, 0.0002823900000000, 0.0014786700000000 ] - [ -0.0004923700000000, 0.0002559700000000, 0.0009888000000000 ] - [ -0.0432808000000000, -0.0030925100000000, 0.0173724100000000 ] - [ -0.0000520500000000, -0.0000775600000000, -0.0012838100000000 ] - [ -0.0001946000000000, -0.0002662200000000, -0.0000858100000000 ] - [ -0.0002166900000000, 0.0001021000000000, -0.0001503500000000 ] - [ 0.0005118200000000, 0.0005476100000000, 0.0010802300000000 ] - [ 0.0001007500000000, -0.0003542500000000, 0.0010186900000000 ] - [ -0.0004114500000000, -0.0003159700000000, 0.0010350600000000 ] - [ -0.0006303200000000, 0.0004347200000000, 0.0010288900000000 ] - [ -0.0008033900000000, 0.0001143900000000, 0.0015540700000000 ] - [ -0.0005484100000000, 0.0001029700000000, 0.0004330700000000 ]- atom: 47 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ -0.0000611500000000, 0.0000384700000000, 0.0003813900000000 ] - [ 0.0000953000000000, -0.0000601400000000, -0.0001050000000000 ] - [ -0.0000883800000000, -0.0001559100000000, 0.0007587600000000 ] - [ -0.0000750500000000, 0.0000679800000000, 0.0006844400000000 ] - [ -0.0008068000000000, 0.0000501400000000, 0.0006422600000000 ] - [ 0.0001563300000000, 0.0000071800000000, 0.0000129500000000 ] - [ -0.0000060200000000, -0.0001101600000000, 0.0008838200000000 ] - [ -0.0000094900000000, 0.0000259400000000, 0.0008727000000000 ] - [ -0.0004363700000000, 0.0004066500000000, -0.0007658800000000 ] - [ -0.0003486600000000, -0.0003151000000000, -0.0006307500000000 ] - [ 0.0003816100000000, -0.0002134800000000, 0.0019366300000000 ] - [ 0.0000413900000000, -0.0000372300000000, 0.0000531400000000 ] - [ 0.0004277000000000, 0.0016610700000000, -0.0018451700000000 ] - [ 0.0005126100000000, -0.0015217900000000, -0.0016245100000000 ] - [ -0.0001512900000000, 0.0001895600000000, -0.0007046200000000 ] - [ -0.0001319200000000, -0.0000399100000000, -0.0005171800000000 ] - [ 0.0000196700000000, 0.0017788200000000, 0.0012091700000000 ] - [ 0.0001379800000000, -0.0005257900000000, 0.0012242800000000 ] - [ 0.0015366200000000, -0.0022109000000000, 0.0004550600000000 ] - [ 0.0017987100000000, 0.0012550300000000, 0.0000745500000000 ] - [ -0.0001785100000000, 0.0004520000000000, 0.0015313400000000 ] - [ -0.0002831000000000, 0.0002740000000000, 0.0010623900000000 ] - [ -0.0027647200000000, -0.0003612700000000, -0.0058013200000000 ] - [ -0.0001717100000000, -0.0005512400000000, -0.0013751100000000 ] - [ -0.0137615900000000, -0.0089221500000000, 0.0055006400000000 ] - [ -0.0002837600000000, 0.0005050900000000, -0.0007687100000000 ] - [ 0.0856836800000000, 0.0009439800000000, -0.0520487400000000 ] - [ 0.0004464900000000, -0.0001266700000000, -0.0017934300000000 ] - [ -0.0000656900000000, -0.0004464900000000, 0.0032365300000000 ] - [ -0.0002112200000000, 0.0002673800000000, 0.0012314400000000 ] - [ -0.0029477400000000, -0.0025801900000000, 0.0004140200000000 ] - [ -0.0030263200000000, 0.0021414200000000, 0.0004694600000000 ] - [ 0.0002161700000000, -0.0000292400000000, 0.0022625600000000 ] - [ 0.0005096200000000, -0.0000300600000000, 0.0007334900000000 ] - [ -0.0005592900000000, -0.0006556000000000, 0.0008364300000000 ] - [ -0.0007461200000000, 0.0004548400000000, 0.0008458100000000 ] - [ -0.0001578100000000, 0.0003513800000000, 0.0017750400000000 ] - [ -0.0002307700000000, -0.0003374800000000, 0.0015909800000000 ] - [ 0.0003657600000000, 0.0010513700000000, 0.0000051500000000 ] - [ 0.0002596800000000, -0.0027100500000000, -0.0002281100000000 ] - [ -0.0107611000000000, 0.0040083300000000, 0.0103059500000000 ] - [ -0.0005010500000000, -0.0002048800000000, 0.0011018600000000 ] - [ 0.0012323500000000, 0.0011702300000000, 0.0004954900000000 ] - [ 0.0024302500000000, -0.0010682700000000, 0.0004592600000000 ] - [ 0.0000417400000000, 0.0002613500000000, -0.0005202800000000 ] - [ -0.0003960700000000, -0.0003418300000000, -0.0003114400000000 ] - [ -0.1070865900000000, -0.0008898600000000, 0.0525159400000000 ] - [ 0.0001013700000000, -0.0000190300000000, 0.0005176200000000 ] - [ -0.0004340200000000, -0.0001850600000000, -0.0004374300000000 ] - [ -0.0003957300000000, 0.0002643600000000, -0.0003759600000000 ] - [ 0.0002682000000000, 0.0001960100000000, -0.0010798900000000 ] - [ 0.0004920000000000, -0.0002683000000000, -0.0005852300000000 ] - [ -0.0064289300000000, -0.0027627300000000, 0.0108480000000000 ] - [ -0.0004370400000000, -0.0001549800000000, 0.0003174700000000 ] - [ -0.0000398600000000, 0.0010007100000000, -0.0015655000000000 ] - [ -0.0000019800000000, 0.0005822900000000, -0.0014135700000000 ] - [ 0.0010067000000000, 0.0025894300000000, -0.0001320500000000 ] - [ 0.0009903000000000, -0.0026310200000000, -0.0001368000000000 ] - [ 0.0003740900000000, 0.0000701900000000, -0.0011563600000000 ] - [ 0.0003902000000000, 0.0003606700000000, -0.0009905100000000 ] - [ 0.0003866200000000, 0.0000944600000000, -0.0001423100000000 ] - [ 0.0004271800000000, 0.0004835100000000, -0.0002695600000000 ] - [ -0.0007724700000000, -0.0003806100000000, -0.0012223100000000 ] - [ 0.0001051300000000, -0.0001993300000000, 0.0003283100000000 ] - [ -0.0000582200000000, -0.0002139800000000, -0.0005052100000000 ] - [ -0.0002787700000000, 0.0008029700000000, -0.0007218000000000 ] - [ 0.0024774300000000, 0.0008822000000000, 0.0011067300000000 ] - [ 0.0012904400000000, -0.0014893200000000, 0.0011506900000000 ] - [ -0.0019469000000000, 0.0016646900000000, -0.0006159200000000 ] - [ -0.0005806700000000, -0.0005296300000000, 0.0003562400000000 ] - [ 0.0031196000000000, -0.0000080000000000, -0.0035650400000000 ] - [ 0.0001879800000000, 0.0006742100000000, 0.0009787400000000 ] - [ -0.0008752900000000, -0.0012624000000000, -0.0005327700000000 ] - [ -0.0003285700000000, 0.0004322700000000, 0.0000656500000000 ] - [ -0.0004449300000000, 0.0000705800000000, -0.0009487900000000 ] - [ -0.0000369800000000, 0.0000058500000000, -0.0001872800000000 ] - [ -0.0005692300000000, 0.0007067800000000, -0.0015701800000000 ] - [ -0.0005886800000000, 0.0007254300000000, -0.0010411400000000 ] - [ 0.0007689300000000, -0.0006753900000000, 0.0002487100000000 ] - [ 0.0022249100000000, 0.0034889000000000, -0.0013353500000000 ] - [ 0.0003123700000000, 0.0000394200000000, -0.0010221100000000 ] - [ 0.0001710800000000, 0.0000663900000000, -0.0005458700000000 ] - [ 0.0054191400000000, 0.0008469500000000, 0.0024678800000000 ] - [ 0.0004239500000000, -0.0001630300000000, 0.0008866500000000 ] - [ -0.0005975800000000, -0.0003259600000000, -0.0007112100000000 ] - [ -0.0005693500000000, -0.0002960700000000, -0.0002198500000000 ] - [ 0.0419823800000000, 0.0030027500000000, -0.0177612800000000 ] - [ -0.0005320300000000, -0.0000698600000000, 0.0005269100000000 ] - [ -0.0000144900000000, 0.0001311500000000, -0.0004710900000000 ] - [ 0.0000034500000000, -0.0002319700000000, -0.0004104500000000 ] - [ 0.0000761700000000, -0.0003967500000000, -0.0003287100000000 ] - [ 0.0004848200000000, 0.0005006500000000, -0.0002674400000000 ] - [ 0.0010035800000000, 0.0001697600000000, -0.0002833000000000 ] - [ 0.0012237600000000, -0.0005873000000000, -0.0002776800000000 ] - [ 0.0002130300000000, 0.0000357700000000, -0.0023103100000000 ] - [ -0.0000384500000000, 0.0000458500000000, -0.0011819600000000 ]- atom: 53 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ -0.0001371300000000, -0.0000047000000000, -0.0004209800000000 ] - [ -0.0000252500000000, -0.0000687900000000, -0.0004225800000000 ] - [ -0.0001244600000000, -0.0000343800000000, 0.0000933100000000 ] - [ -0.0001519000000000, -0.0000285700000000, 0.0000929100000000 ] - [ -0.0012532900000000, -0.0001670700000000, 0.0017929700000000 ] - [ -0.0000074600000000, 0.0000549100000000, 0.0000755800000000 ] - [ -0.0000486300000000, -0.0000266000000000, 0.0002633800000000 ] - [ -0.0000158000000000, -0.0000271900000000, 0.0002400400000000 ] - [ -0.0001769100000000, 0.0004506300000000, 0.0004650000000000 ] - [ -0.0001165400000000, -0.0010210800000000, 0.0004563600000000 ] - [ 0.0003950600000000, 0.0000221300000000, -0.0004632900000000 ] - [ 0.0001802500000000, -0.0000632900000000, -0.0001911300000000 ] - [ 0.0006437500000000, -0.0014823700000000, -0.0002752700000000 ] - [ 0.0035929300000000, -0.0003548300000000, 0.0015872900000000 ] - [ 0.0010948600000000, 0.0001265900000000, -0.0003709900000000 ] - [ -0.0000281900000000, -0.0003392900000000, -0.0003527800000000 ] - [ 0.0002110700000000, 0.0005523100000000, -0.0000591900000000 ] - [ 0.0001583500000000, 0.0000855500000000, 0.0004744700000000 ] - [ 0.0011427000000000, -0.0005713100000000, 0.0002813600000000 ] - [ 0.0052648100000000, -0.0030108200000000, -0.0033201500000000 ] - [ -0.0002603600000000, 0.0004907400000000, -0.0004591000000000 ] - [ -0.0002417800000000, 0.0002830300000000, -0.0002126100000000 ] - [ -0.0086042600000000, 0.0003394900000000, -0.0017186600000000 ] - [ -0.0009587500000000, -0.0006652800000000, 0.0002241200000000 ] - [ 0.0058831900000000, 0.0041866500000000, 0.0048792500000000 ] - [ 0.0004692400000000, -0.0005249900000000, 0.0004969600000000 ] - [ 0.1086084900000000, 0.1044102500000000, 0.0385059500000000 ] - [ 0.0017113300000000, -0.0008748300000000, 0.0004011500000000 ] - [ 0.0000569100000000, 0.0000663200000000, 0.0002929800000000 ] - [ 0.0000284300000000, 0.0000840100000000, 0.0002473200000000 ] - [ -0.0018924100000000, -0.0009193500000000, 0.0011888100000000 ] - [ -0.0050574000000000, -0.0000311800000000, 0.0003797800000000 ] - [ 0.0003566200000000, 0.0001082100000000, -0.0002247300000000 ] - [ 0.0004107400000000, -0.0000856500000000, -0.0003773500000000 ] - [ -0.0006315500000000, 0.0011239600000000, -0.0001255200000000 ] - [ -0.0025464100000000, -0.0001817700000000, -0.0014379100000000 ] - [ -0.0002353400000000, -0.0000072900000000, -0.0003080700000000 ] - [ -0.0001174400000000, 0.0000097300000000, -0.0003132000000000 ] - [ 0.0000218700000000, -0.0006496900000000, -0.0015017700000000 ] - [ -0.0007184000000000, 0.0012515100000000, -0.0008369100000000 ] - [ -0.0127076900000000, -0.0073084800000000, 0.0013266200000000 ] - [ -0.0018900200000000, 0.0012550900000000, 0.0002014600000000 ] - [ 0.0009169800000000, 0.0003539200000000, -0.0004081200000000 ] - [ 0.0034654100000000, -0.0001212400000000, -0.0006235900000000 ] - [ 0.0000649100000000, -0.0008500100000000, 0.0007695800000000 ] - [ 0.0000886300000000, 0.0004909000000000, 0.0005064500000000 ] - [ 0.0245184100000000, 0.0298934600000000, 0.0128208100000000 ] - [ -0.0004476500000000, -0.0000379300000000, -0.0004518900000000 ] - [ -0.0003792900000000, 0.0000444800000000, 0.0002719900000000 ] - [ -0.0004542900000000, 0.0000718000000000, 0.0002098600000000 ] - [ 0.0003887000000000, -0.0000466000000000, -0.0002276300000000 ] - [ 0.0005396700000000, -0.0000417300000000, -0.0001990100000000 ] - [ -0.1227933300000000, -0.1216822100000000, -0.0484421200000000 ] - [ -0.0008410900000000, -0.0000378400000000, -0.0006881900000000 ] - [ -0.0000886300000000, 0.0002274500000000, -0.0006085000000000 ] - [ 0.0003134200000000, 0.0003809100000000, -0.0001939900000000 ] - [ 0.0003411400000000, 0.0007705800000000, -0.0004670500000000 ] - [ 0.0031116500000000, -0.0015561000000000, -0.0009256100000000 ] - [ 0.0005136800000000, -0.0001330200000000, -0.0001299100000000 ] - [ 0.0004976900000000, -0.0000864000000000, -0.0001485200000000 ] - [ 0.0005248300000000, 0.0005749800000000, 0.0006932300000000 ] - [ 0.0004956400000000, 0.0005119600000000, 0.0007235100000000 ] - [ -0.0010420700000000, -0.0004717300000000, 0.0003368700000000 ] - [ 0.0000419100000000, -0.0005054900000000, 0.0007516100000000 ] - [ 0.0002356300000000, 0.0001113800000000, 0.0001760100000000 ] - [ 0.0004975900000000, -0.0001828000000000, 0.0000312300000000 ] - [ 0.0020501300000000, -0.0001673500000000, -0.0002703600000000 ] - [ 0.0020449100000000, -0.0007602800000000, 0.0009102800000000 ] - [ 0.0001898600000000, -0.0008633300000000, 0.0010857200000000 ] - [ -0.0005081200000000, 0.0003568400000000, 0.0003214900000000 ] - [ -0.0011792000000000, -0.0005463500000000, 0.0002790900000000 ] - [ 0.0000631300000000, 0.0007136000000000, 0.0006758000000000 ] - [ 0.0005115900000000, 0.0004000200000000, 0.0002052300000000 ] - [ 0.0007614900000000, -0.0008477300000000, -0.0007522500000000 ] - [ -0.0001440700000000, 0.0000668200000000, 0.0001637600000000 ] - [ 0.0000445100000000, 0.0000888800000000, 0.0003084700000000 ] - [ -0.0004983700000000, 0.0004146100000000, -0.0004672400000000 ] - [ -0.0005208200000000, 0.0005510700000000, -0.0005067300000000 ] - [ 0.0002758500000000, 0.0002528700000000, -0.0001547300000000 ] - [ -0.0003721300000000, -0.0007007700000000, -0.0024887200000000 ] - [ 0.0002666000000000, 0.0000248200000000, -0.0001073600000000 ] - [ 0.0002486700000000, 0.0000855400000000, -0.0000937300000000 ] - [ 0.0029639600000000, -0.0028836200000000, -0.0050678000000000 ] - [ 0.0000202700000000, 0.0005046700000000, -0.0000259800000000 ] - [ -0.0004900600000000, -0.0000857100000000, 0.0003070700000000 ] - [ -0.0004926900000000, 0.0000240300000000, 0.0004120900000000 ] - [ -0.0109797400000000, -0.0013561300000000, -0.0005224100000000 ] - [ -0.0006892800000000, 0.0000263900000000, -0.0004901500000000 ] - [ 0.0000431700000000, -0.0006035000000000, -0.0001836400000000 ] - [ 0.0011467500000000, 0.0012365800000000, 0.0017226700000000 ] - [ 0.0001532100000000, 0.0001910100000000, 0.0009710500000000 ] - [ 0.0002535200000000, -0.0000859800000000, 0.0009180600000000 ] - [ 0.0009674100000000, -0.0001682100000000, -0.0003501900000000 ] - [ 0.0017961100000000, -0.0001397700000000, -0.0003848300000000 ] - [ -0.0003997000000000, 0.0000573900000000, -0.0003842000000000 ] - [ -0.0003197100000000, 0.0000825900000000, -0.0003823200000000 ]- atom: 53 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ 0.0002479900000000, -0.0000459600000000, -0.0002708100000000 ] - [ 0.0001375100000000, 0.0000196800000000, -0.0002689900000000 ] - [ -0.0000109100000000, -0.0000468900000000, 0.0000931400000000 ] - [ 0.0000167300000000, -0.0000530200000000, 0.0000946000000000 ] - [ 0.0013961900000000, 0.0002446000000000, -0.0019703200000000 ] - [ 0.0001476600000000, 0.0000295800000000, -0.0002596900000000 ] - [ -0.0000639200000000, -0.0000224600000000, 0.0004273900000000 ] - [ -0.0000972200000000, -0.0000228500000000, 0.0004516200000000 ] - [ 0.0000483900000000, -0.0003964200000000, 0.0002280100000000 ] - [ -0.0000803000000000, 0.0009970200000000, 0.0002713800000000 ] - [ -0.0002515400000000, -0.0001064700000000, 0.0002857400000000 ] - [ -0.0000417800000000, -0.0000172600000000, 0.0000062800000000 ] - [ -0.0007638400000000, 0.0015691900000000, 0.0004649800000000 ] - [ -0.0036652000000000, 0.0003510900000000, -0.0013166100000000 ] - [ -0.0011317100000000, -0.0000022900000000, -0.0004363200000000 ] - [ 0.0001380300000000, 0.0003942000000000, -0.0003381100000000 ] - [ 0.0003463800000000, 0.0002274800000000, -0.0001397800000000 ] - [ 0.0003998300000000, 0.0006839600000000, -0.0006774600000000 ] - [ -0.0005733200000000, -0.0001744700000000, -0.0005182700000000 ] - [ -0.0047517600000000, 0.0022356000000000, 0.0031334000000000 ] - [ -0.0003006600000000, 0.0002812300000000, 0.0006699400000000 ] - [ -0.0003191700000000, 0.0004928000000000, 0.0004205200000000 ] - [ 0.0080301800000000, -0.0011184200000000, 0.0019083100000000 ] - [ 0.0004021400000000, -0.0001015900000000, -0.0000224700000000 ] - [ -0.0063057600000000, -0.0043165500000000, -0.0043950600000000 ] - [ -0.0007417200000000, 0.0004705200000000, -0.0000268800000000 ] - [ -0.1081500500000000, -0.1022271600000000, -0.0383816300000000 ] - [ -0.0008568500000000, 0.0008617400000000, -0.0011245000000000 ] - [ -0.0003242200000000, -0.0000001000000000, 0.0001729800000000 ] - [ -0.0002947100000000, -0.0000176200000000, 0.0002244600000000 ] - [ 0.0010552400000000, 0.0008741200000000, -0.0004572300000000 ] - [ 0.0042158900000000, 0.0000112300000000, 0.0003558700000000 ] - [ 0.0004934500000000, -0.0000781900000000, -0.0005006600000000 ] - [ 0.0004388600000000, 0.0001184500000000, -0.0003474900000000 ] - [ 0.0008892600000000, -0.0012035800000000, -0.0003532100000000 ] - [ 0.0028162500000000, 0.0001232600000000, 0.0009767200000000 ] - [ -0.0006083700000000, 0.0000402300000000, 0.0010358900000000 ] - [ -0.0007265600000000, 0.0000205200000000, 0.0010371400000000 ] - [ 0.0002472700000000, 0.0007131900000000, 0.0010173200000000 ] - [ 0.0009850600000000, -0.0011855400000000, 0.0003512900000000 ] - [ 0.0115939500000000, 0.0071481000000000, -0.0005836900000000 ] - [ 0.0008356500000000, -0.0012216300000000, 0.0005657800000000 ] - [ 0.0001450100000000, -0.0003098200000000, -0.0003584200000000 ] - [ -0.0024124500000000, 0.0001574900000000, -0.0001472300000000 ] - [ -0.0011691700000000, 0.0008457700000000, -0.0005201000000000 ] - [ -0.0011932200000000, -0.0005130200000000, -0.0002542500000000 ] - [ -0.0235209400000000, -0.0294279000000000, -0.0128786400000000 ] - [ 0.0008938400000000, -0.0000700600000000, 0.0001529900000000 ] - [ -0.0000732000000000, 0.0000571900000000, 0.0000256500000000 ] - [ 0.0000032100000000, 0.0000317700000000, 0.0000892500000000 ] - [ 0.0007139400000000, 0.0000635400000000, -0.0000240100000000 ] - [ 0.0005622900000000, 0.0000571900000000, -0.0000545800000000 ] - [ 0.1218908300000000, 0.1183530600000000, 0.0464922900000000 ] - [ -0.0002472500000000, -0.0009132200000000, -0.0002445000000000 ] - [ -0.0002259400000000, 0.0007872300000000, -0.0008859600000000 ] - [ -0.0006308300000000, 0.0006318500000000, -0.0013068800000000 ] - [ -0.0008046200000000, -0.0008701100000000, 0.0007633100000000 ] - [ -0.0035536700000000, 0.0014400300000000, 0.0012155500000000 ] - [ 0.0005480500000000, 0.0000901800000000, -0.0006390400000000 ] - [ 0.0005641300000000, 0.0000436100000000, -0.0006193300000000 ] - [ 0.0005606200000000, 0.0003548800000000, 0.0002352600000000 ] - [ 0.0005897700000000, 0.0004203600000000, 0.0002054400000000 ] - [ 0.0013581500000000, -0.0005400600000000, 0.0011711900000000 ] - [ 0.0002754600000000, -0.0005134000000000, 0.0007464400000000 ] - [ -0.0004539000000000, 0.0000215900000000, -0.0007411900000000 ] - [ -0.0007161800000000, 0.0003159500000000, -0.0005965100000000 ] - [ -0.0009652500000000, -0.0007512600000000, 0.0011964300000000 ] - [ -0.0009609000000000, -0.0001792400000000, 0.0000177800000000 ] - [ -0.0012945600000000, 0.0008770200000000, -0.0008218500000000 ] - [ -0.0005961000000000, -0.0003426100000000, -0.0000612300000000 ] - [ 0.0015275200000000, 0.0015628500000000, 0.0012029100000000 ] - [ 0.0002563400000000, 0.0002959200000000, 0.0008198100000000 ] - [ -0.0008279800000000, -0.0014040700000000, -0.0016929100000000 ] - [ -0.0010816100000000, -0.0001639400000000, -0.0007353900000000 ] - [ 0.0003694500000000, 0.0000668000000000, 0.0004073800000000 ] - [ 0.0001793800000000, 0.0000438500000000, 0.0002614500000000 ] - [ -0.0005874200000000, 0.0005177500000000, -0.0004633200000000 ] - [ -0.0005645400000000, 0.0003795000000000, -0.0004223200000000 ] - [ 0.0008310200000000, -0.0002759700000000, -0.0001027800000000 ] - [ 0.0014994900000000, 0.0007040700000000, 0.0022370800000000 ] - [ 0.0001827700000000, 0.0000786300000000, -0.0001933200000000 ] - [ 0.0002000500000000, 0.0000168400000000, -0.0002060800000000 ] - [ -0.0027505800000000, 0.0027927000000000, 0.0057087300000000 ] - [ 0.0002058300000000, -0.0006460200000000, 0.0005986300000000 ] - [ -0.0005714700000000, 0.0000438300000000, 0.0004598500000000 ] - [ -0.0005689100000000, -0.0000681100000000, 0.0003543800000000 ] - [ 0.0104006300000000, 0.0011149200000000, -0.0003640300000000 ] - [ 0.0001075600000000, -0.0001768800000000, -0.0002588200000000 ] - [ -0.0002532500000000, 0.0004743000000000, -0.0003793600000000 ] - [ -0.0013689300000000, -0.0013794200000000, -0.0023039300000000 ] - [ 0.0004259100000000, -0.0000457600000000, -0.0002207300000000 ] - [ 0.0003255800000000, 0.0002312200000000, -0.0001651300000000 ] - [ -0.0003856800000000, 0.0000246600000000, 0.0010991300000000 ] - [ -0.0012125100000000, -0.0000082800000000, 0.0011258800000000 ] - [ -0.0001861800000000, 0.0000903500000000, -0.0003625400000000 ] - [ -0.0002619500000000, 0.0000629600000000, -0.0003660400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001918700000000, 0.0002688200000000, -0.0006905100000000 ] - [ -0.0000113100000000, -0.0003246900000000, -0.0004790800000000 ] - [ 0.0000208100000000, -0.0002130500000000, 0.0001828900000000 ] - [ -0.0000340500000000, 0.0001470300000000, -0.0004037100000000 ] - [ -0.0003769900000000, 0.0015328500000000, 0.0010644000000000 ] - [ 0.0003014600000000, -0.0011991100000000, -0.0001369300000000 ] - [ -0.0001247800000000, -0.0002284200000000, 0.0003183000000000 ] - [ -0.0000800600000000, 0.0002381900000000, -0.0002181100000000 ] - [ 0.0018608700000000, -0.0019373800000000, -0.0003613100000000 ] - [ -0.0018670900000000, 0.0007013200000000, 0.0013149600000000 ] - [ -0.0003383300000000, 0.0006301400000000, -0.0012700000000000 ] - [ 0.0001509500000000, -0.0004699900000000, -0.0000206000000000 ] - [ -0.0013210600000000, -0.0028585600000000, -0.0012955100000000 ] - [ 0.0000570700000000, 0.0032667600000000, 0.0003666500000000 ] - [ -0.0000886400000000, 0.0046552200000000, -0.0002023100000000 ] - [ -0.0003341700000000, -0.0016221000000000, -0.0004283700000000 ] - [ 0.0004673200000000, -0.0007289700000000, -0.0011740100000000 ] - [ 0.0002522600000000, 0.0009396500000000, 0.0000197200000000 ] - [ -0.0007620900000000, -0.0063593000000000, 0.0058505000000000 ] - [ -0.0002604900000000, 0.0052768000000000, 0.0009832000000000 ] - [ -0.0003695500000000, 0.0014269400000000, -0.0002121400000000 ] - [ -0.0004009300000000, -0.0005979700000000, -0.0004413400000000 ] - [ -0.0036359700000000, 0.0017687600000000, -0.0005633500000000 ] - [ -0.0000976000000000, -0.0024993500000000, 0.0006664600000000 ] - [ 0.0109032200000000, 0.0124672500000000, -0.0059293200000000 ] - [ -0.0008603500000000, -0.0031486400000000, 0.0018315500000000 ] - [ 0.1054266000000000, 0.2942174000000000, 0.0828121700000000 ] - [ 0.0020426300000000, -0.0098543800000000, 0.0028630000000000 ] - [ 0.0002396000000000, 0.0022095600000000, -0.0004182300000000 ] - [ -0.0006893500000000, -0.0043677400000000, -0.0000532000000000 ] - [ -0.0023048300000000, -0.0020297900000000, 0.0010042600000000 ] - [ 0.0032213200000000, 0.0018271400000000, 0.0011341700000000 ] - [ 0.0004480800000000, 0.0007086700000000, -0.0008858400000000 ] - [ 0.0006085400000000, -0.0006480900000000, -0.0014016700000000 ] - [ 0.0010771600000000, 0.0002886200000000, 0.0017266100000000 ] - [ -0.0026489500000000, -0.0005948400000000, -0.0035649400000000 ] - [ -0.0005682600000000, -0.0004303400000000, -0.0007986200000000 ] - [ -0.0005865100000000, 0.0004862600000000, 0.0006808600000000 ] - [ 0.0000451500000000, -0.0017620300000000, -0.0016784900000000 ] - [ 0.0003735100000000, 0.0028229700000000, 0.0011205600000000 ] - [ 0.0064981700000000, 0.0405439600000000, 0.0006883400000000 ] - [ -0.0016811200000000, 0.0097422300000000, -0.0014108900000000 ] - [ 0.0009186100000000, 0.0016469500000000, -0.0001738000000000 ] - [ 0.0004176500000000, -0.0025905100000000, -0.0013972800000000 ] - [ -0.0007205400000000, -0.0005594300000000, -0.0005182700000000 ] - [ 0.0001167000000000, 0.0011911200000000, 0.0011558900000000 ] - [ 0.0150978900000000, 0.0019399100000000, 0.0064160100000000 ] - [ -0.0008313600000000, 0.0024882000000000, -0.0007694000000000 ] - [ -0.0001380900000000, 0.0002934700000000, 0.0005598000000000 ] - [ -0.0001275200000000, -0.0001472400000000, 0.0001570200000000 ] - [ 0.0004630600000000, -0.0015259800000000, -0.0009242300000000 ] - [ 0.0000786400000000, 0.0040470000000000, 0.0035520300000000 ] - [ -0.1242914300000000, -0.3599935800000000, -0.1134840000000000 ] - [ -0.0001056900000000, 0.0058463500000000, -0.0001025900000000 ] - [ -0.0003051700000000, 0.0010775800000000, -0.0016664400000000 ] - [ 0.0003105200000000, -0.0002918100000000, 0.0008655300000000 ] - [ 0.0015646100000000, 0.0012539600000000, -0.0004106400000000 ] - [ -0.0050673700000000, -0.0002617600000000, 0.0001924000000000 ] - [ 0.0006177900000000, -0.0001562700000000, 0.0000365500000000 ] - [ 0.0005996500000000, -0.0000262900000000, -0.0002832900000000 ] - [ 0.0006510600000000, 0.0010421900000000, 0.0008951300000000 ] - [ 0.0005882900000000, -0.0000448700000000, 0.0005561400000000 ] - [ -0.0000449900000000, -0.0041191000000000, 0.0013450400000000 ] - [ 0.0002701500000000, 0.0021831800000000, -0.0000570700000000 ] - [ 0.0000269300000000, 0.0004737000000000, 0.0002578200000000 ] - [ -0.0001946400000000, -0.0005126200000000, -0.0005607600000000 ] - [ 0.0008371200000000, 0.0001135100000000, -0.0002092300000000 ] - [ 0.0002497800000000, 0.0001248900000000, 0.0002629800000000 ] - [ -0.0004373600000000, -0.0018969600000000, 0.0006324200000000 ] - [ -0.0005132800000000, 0.0012108100000000, 0.0001024000000000 ] - [ -0.0020904300000000, -0.0005894300000000, 0.0034115900000000 ] - [ 0.0002583900000000, 0.0011774500000000, 0.0004628100000000 ] - [ 0.0001833800000000, 0.0005223600000000, 0.0003942800000000 ] - [ -0.0006448200000000, -0.0011741900000000, -0.0020796500000000 ] - [ -0.0000080200000000, -0.0004821300000000, 0.0004806600000000 ] - [ 0.0007006500000000, 0.0010473600000000, 0.0007793100000000 ] - [ -0.0004930700000000, 0.0001487300000000, -0.0000680000000000 ] - [ -0.0006299100000000, 0.0006661900000000, -0.0001166200000000 ] - [ 0.0002999000000000, 0.0022092300000000, -0.0001932000000000 ] - [ 0.0007534200000000, -0.0059024600000000, -0.0017189200000000 ] - [ 0.0002233400000000, -0.0002252400000000, 0.0000997700000000 ] - [ 0.0001398600000000, 0.0003192600000000, 0.0000961200000000 ] - [ -0.0022926600000000, -0.0030974900000000, 0.0010644900000000 ] - [ 0.0001283500000000, 0.0014593800000000, -0.0003400000000000 ] - [ -0.0005958400000000, -0.0004545400000000, 0.0006003200000000 ] - [ -0.0004582000000000, 0.0006114900000000, 0.0008903200000000 ] - [ -0.0025947400000000, 0.0030713200000000, 0.0184021800000000 ] - [ 0.0005591300000000, 0.0019551100000000, -0.0020243900000000 ] - [ -0.0015407800000000, 0.0003874700000000, -0.0017535600000000 ] - [ 0.0034923300000000, 0.0007083800000000, 0.0025723400000000 ] - [ 0.0003398900000000, 0.0004770700000000, 0.0012976300000000 ] - [ 0.0001055700000000, -0.0003704300000000, -0.0002223600000000 ] - [ 0.0005706000000000, 0.0002302100000000, -0.0005169600000000 ] - [ 0.0001229500000000, -0.0004574800000000, 0.0010855300000000 ] - [ -0.0003531600000000, -0.0004117900000000, -0.0000641400000000 ] - [ -0.0009512500000000, 0.0010760100000000, 0.0004401700000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000808900000000, -0.0003190600000000, 0.0000011400000000 ] - [ 0.0001241800000000, 0.0002741300000000, -0.0002121900000000 ] - [ -0.0001587200000000, 0.0001330200000000, 0.0000029200000000 ] - [ -0.0001044200000000, -0.0002319100000000, 0.0005901800000000 ] - [ 0.0005239400000000, -0.0014458500000000, -0.0012583800000000 ] - [ -0.0001673600000000, 0.0012800400000000, -0.0000473000000000 ] - [ 0.0000124400000000, 0.0001807900000000, 0.0003743500000000 ] - [ -0.0000320600000000, -0.0002917600000000, 0.0009119000000000 ] - [ -0.0019581200000000, 0.0019897500000000, 0.0010448400000000 ] - [ 0.0016778700000000, -0.0007247700000000, -0.0005951900000000 ] - [ 0.0004779200000000, -0.0007128000000000, 0.0010877500000000 ] - [ -0.0000139000000000, 0.0003876700000000, -0.0001660100000000 ] - [ 0.0011700200000000, 0.0029450500000000, 0.0014683300000000 ] - [ -0.0000984600000000, -0.0032732100000000, -0.0000845300000000 ] - [ 0.0001631100000000, -0.0045906700000000, -0.0005186900000000 ] - [ 0.0004522500000000, 0.0016716900000000, -0.0002602900000000 ] - [ 0.0000931200000000, 0.0015110800000000, 0.0009698600000000 ] - [ 0.0003064400000000, -0.0001767000000000, -0.0002197300000000 ] - [ 0.0013096300000000, 0.0055681800000000, -0.0060125200000000 ] - [ 0.0008970600000000, -0.0062961400000000, -0.0015537400000000 ] - [ -0.0001923200000000, -0.0006553700000000, 0.0004159600000000 ] - [ -0.0001578300000000, 0.0013717200000000, 0.0006493600000000 ] - [ 0.0030872200000000, -0.0025426400000000, 0.0007749200000000 ] - [ -0.0004636400000000, 0.0017252300000000, -0.0004643500000000 ] - [ -0.0111504400000000, -0.0125126000000000, 0.0064734000000000 ] - [ 0.0005995200000000, 0.0030852800000000, -0.0013693300000000 ] - [ -0.0966669100000000, -0.2793060500000000, -0.0770094000000000 ] - [ -0.0012110200000000, 0.0098284100000000, -0.0036132600000000 ] - [ -0.0005020000000000, -0.0021115800000000, 0.0008722900000000 ] - [ 0.0004218600000000, 0.0044393400000000, 0.0005430800000000 ] - [ 0.0014486300000000, 0.0020163600000000, -0.0002805700000000 ] - [ -0.0040659600000000, -0.0018801400000000, -0.0004139000000000 ] - [ 0.0004011700000000, -0.0006773800000000, 0.0001542700000000 ] - [ 0.0002378500000000, 0.0006789700000000, 0.0006830300000000 ] - [ -0.0008001100000000, -0.0003383200000000, -0.0021942000000000 ] - [ 0.0029272300000000, 0.0005218300000000, 0.0030941000000000 ] - [ -0.0002791100000000, 0.0004653300000000, 0.0015270100000000 ] - [ -0.0002594900000000, -0.0004592900000000, 0.0000469100000000 ] - [ 0.0002199200000000, 0.0018358400000000, 0.0012047800000000 ] - [ -0.0001086400000000, -0.0027729800000000, -0.0016012700000000 ] - [ -0.0074391200000000, -0.0394738700000000, 0.0000522500000000 ] - [ 0.0006202800000000, -0.0097508300000000, 0.0021758600000000 ] - [ 0.0001435700000000, -0.0016089600000000, -0.0005937700000000 ] - [ 0.0006484600000000, 0.0026505700000000, 0.0006359000000000 ] - [ -0.0003836500000000, 0.0005300900000000, 0.0007781700000000 ] - [ -0.0012232600000000, -0.0012084300000000, -0.0009020000000000 ] - [ -0.0146147900000000, -0.0022010900000000, -0.0066935300000000 ] - [ 0.0012955400000000, -0.0025927600000000, 0.0004761200000000 ] - [ -0.0003145500000000, -0.0001931800000000, -0.0002613200000000 ] - [ -0.0003253100000000, 0.0002513400000000, 0.0001411400000000 ] - [ 0.0006406900000000, 0.0015239700000000, 0.0006622100000000 ] - [ 0.0010302000000000, -0.0040431800000000, -0.0038300100000000 ] - [ 0.1150011200000000, 0.3437916200000000, 0.1060933600000000 ] - [ -0.0009787100000000, -0.0067767700000000, -0.0008206700000000 ] - [ -0.0000145000000000, -0.0000691200000000, 0.0001688800000000 ] - [ -0.0006297300000000, 0.0013086600000000, -0.0023646700000000 ] - [ -0.0020034800000000, -0.0013650100000000, 0.0007130700000000 ] - [ 0.0046223900000000, 0.0001730100000000, 0.0001099900000000 ] - [ 0.0004448400000000, 0.0001100000000000, -0.0008041600000000 ] - [ 0.0004617300000000, -0.0000156900000000, -0.0004855700000000 ] - [ 0.0004344700000000, -0.0001139800000000, 0.0000326500000000 ] - [ 0.0004976400000000, 0.0009778900000000, 0.0003726100000000 ] - [ 0.0003544300000000, 0.0030918200000000, 0.0001976000000000 ] - [ 0.0000479500000000, -0.0031907700000000, 0.0015437700000000 ] - [ -0.0002477900000000, -0.0003439800000000, -0.0008270200000000 ] - [ -0.0000266100000000, 0.0006490900000000, -0.0000080900000000 ] - [ 0.0002503900000000, -0.0010609800000000, 0.0011417300000000 ] - [ 0.0008317700000000, -0.0010493700000000, 0.0006638400000000 ] - [ -0.0006663900000000, 0.0019230300000000, -0.0003794500000000 ] - [ -0.0005891300000000, -0.0012002200000000, 0.0001567800000000 ] - [ 0.0024006700000000, 0.0015955200000000, -0.0019297100000000 ] - [ 0.0000579500000000, -0.0001616100000000, 0.0010384500000000 ] - [ -0.0005007400000000, -0.0015444900000000, -0.0018926100000000 ] - [ 0.0003286500000000, 0.0001671400000000, 0.0005904600000000 ] - [ 0.0002330300000000, 0.0006092500000000, 0.0000969800000000 ] - [ -0.0004829600000000, -0.0009170600000000, -0.0002162500000000 ] - [ -0.0005932300000000, 0.0007803700000000, -0.0008609600000000 ] - [ -0.0004556400000000, 0.0002660400000000, -0.0008152800000000 ] - [ 0.0008027300000000, -0.0022301400000000, -0.0000575000000000 ] - [ 0.0003504700000000, 0.0058918900000000, 0.0014457200000000 ] - [ 0.0002274200000000, 0.0003277700000000, -0.0003981500000000 ] - [ 0.0003126000000000, -0.0002169700000000, -0.0003969600000000 ] - [ 0.0025367600000000, 0.0029409500000000, -0.0005352200000000 ] - [ 0.0000909800000000, -0.0015945200000000, 0.0009129400000000 ] - [ -0.0004665200000000, 0.0004122000000000, 0.0001668300000000 ] - [ -0.0006043600000000, -0.0006579600000000, -0.0001260400000000 ] - [ 0.0020530300000000, -0.0032543000000000, -0.0189796400000000 ] - [ -0.0011471100000000, -0.0021048400000000, 0.0012872900000000 ] - [ 0.0013054200000000, -0.0005277700000000, 0.0011756600000000 ] - [ -0.0037281300000000, -0.0008385000000000, -0.0031517900000000 ] - [ 0.0002449900000000, -0.0003319800000000, -0.0005472300000000 ] - [ 0.0004799500000000, 0.0005202600000000, 0.0009741700000000 ] - [ 0.0000141900000000, -0.0003828800000000, 0.0012664900000000 ] - [ 0.0004568200000000, 0.0003145900000000, -0.0003324900000000 ] - [ -0.0002386300000000, 0.0005566300000000, -0.0006771700000000 ] - [ 0.0003732200000000, -0.0009329800000000, -0.0011991800000000 ]- atom: 53 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ 0.0003624600000000, -0.0000938900000000, -0.0012568200000000 ] - [ 0.0000430600000000, 0.0000234600000000, -0.0007648000000000 ] - [ 0.0000613900000000, 0.0000004300000000, -0.0003752000000000 ] - [ 0.0001060000000000, -0.0000519800000000, -0.0006659700000000 ] - [ 0.0013073000000000, 0.0008951200000000, 0.0000589400000000 ] - [ 0.0002796800000000, -0.0004242700000000, 0.0001472000000000 ] - [ -0.0001461500000000, 0.0000684800000000, -0.0002569100000000 ] - [ -0.0001928500000000, -0.0000411000000000, -0.0006809100000000 ] - [ 0.0001497700000000, -0.0007716600000000, 0.0013976500000000 ] - [ -0.0000881200000000, 0.0007831500000000, 0.0031456900000000 ] - [ -0.0008497700000000, 0.0000646800000000, -0.0019094200000000 ] - [ 0.0000285900000000, 0.0000173800000000, -0.0003652800000000 ] - [ -0.0005573600000000, -0.0009544500000000, 0.0009781800000000 ] - [ 0.0000853900000000, -0.0000560400000000, 0.0035876900000000 ] - [ -0.0004047900000000, 0.0001897000000000, 0.0019711300000000 ] - [ -0.0001061600000000, -0.0003601400000000, 0.0001418100000000 ] - [ 0.0006570800000000, -0.0012450000000000, -0.0019744500000000 ] - [ 0.0006928800000000, 0.0018418200000000, -0.0027092600000000 ] - [ 0.0004970500000000, 0.0003771200000000, 0.0005966800000000 ] - [ -0.0023276900000000, 0.0038298200000000, 0.0097807700000000 ] - [ -0.0008265700000000, 0.0006403800000000, -0.0014317600000000 ] - [ -0.0004784200000000, 0.0001948700000000, -0.0010211600000000 ] - [ 0.0014292700000000, -0.0005369500000000, 0.0020429100000000 ] - [ -0.0001006000000000, -0.0002160400000000, 0.0012805700000000 ] - [ 0.0132848200000000, 0.0019133600000000, -0.0100123400000000 ] - [ -0.0004528600000000, -0.0004693900000000, 0.0011478400000000 ] - [ 0.0070364600000000, 0.0474789400000000, 0.0746581500000000 ] - [ 0.0011020300000000, -0.0010540900000000, 0.0022272100000000 ] - [ 0.0010484800000000, 0.0036219100000000, -0.0055225300000000 ] - [ -0.0004058100000000, -0.0034046300000000, -0.0010930500000000 ] - [ -0.0002528600000000, -0.0001053300000000, 0.0013348900000000 ] - [ 0.0030035100000000, 0.0002117600000000, 0.0023900600000000 ] - [ 0.0007509500000000, 0.0000824600000000, -0.0037118200000000 ] - [ 0.0005230800000000, -0.0000074000000000, -0.0022280200000000 ] - [ -0.0003149700000000, 0.0008084200000000, -0.0003746000000000 ] - [ -0.0020075400000000, -0.0006464600000000, -0.0024374700000000 ] - [ -0.0009817000000000, -0.0002824200000000, -0.0009527400000000 ] - [ -0.0009573700000000, 0.0003368900000000, -0.0013061400000000 ] - [ 0.0002331400000000, -0.0005828800000000, -0.0003671600000000 ] - [ 0.0004181100000000, 0.0009936600000000, -0.0006890600000000 ] - [ 0.0026027200000000, -0.0065747600000000, -0.0114521900000000 ] - [ -0.0003446800000000, 0.0018768300000000, -0.0023957400000000 ] - [ 0.0004020400000000, -0.0000568300000000, -0.0009734900000000 ] - [ -0.0004820200000000, -0.0008206300000000, -0.0021180100000000 ] - [ -0.0003623500000000, -0.0005654200000000, 0.0005221100000000 ] - [ -0.0000381500000000, 0.0008303300000000, 0.0008482400000000 ] - [ 0.0002887800000000, -0.0012046200000000, -0.0131088900000000 ] - [ -0.0001250900000000, 0.0001015700000000, -0.0009993200000000 ] - [ 0.0001757500000000, 0.0003076800000000, 0.0008245400000000 ] - [ 0.0002211500000000, -0.0002012900000000, 0.0009758500000000 ] - [ 0.0001753900000000, -0.0016334300000000, 0.0007325000000000 ] - [ 0.0000204800000000, 0.0032407800000000, 0.0033309500000000 ] - [ -0.0129089600000000, -0.0734702500000000, -0.0945129700000000 ] - [ -0.0006741500000000, -0.0002504100000000, -0.0012711200000000 ] - [ -0.0000754600000000, 0.0002604000000000, -0.0003944800000000 ] - [ 0.0002498600000000, 0.0002639700000000, 0.0003792000000000 ] - [ -0.0004064900000000, -0.0000257100000000, -0.0003707300000000 ] - [ -0.0042440800000000, 0.0007426000000000, -0.0010712000000000 ] - [ 0.0007792200000000, -0.0001772000000000, 0.0004416600000000 ] - [ 0.0008065600000000, -0.0004785400000000, 0.0004505800000000 ] - [ 0.0007657800000000, 0.0008508800000000, 0.0011048600000000 ] - [ 0.0008014000000000, 0.0005411600000000, 0.0013975000000000 ] - [ -0.0010354100000000, -0.0043290600000000, 0.0075967400000000 ] - [ 0.0001932100000000, 0.0003505400000000, 0.0007024700000000 ] - [ -0.0003274700000000, 0.0003524800000000, -0.0000572200000000 ] - [ -0.0003963600000000, -0.0003012300000000, 0.0002060500000000 ] - [ 0.0005694300000000, -0.0003535300000000, -0.0004864400000000 ] - [ -0.0005614300000000, 0.0002627700000000, -0.0008047400000000 ] - [ -0.0004447500000000, -0.0004587900000000, 0.0003088100000000 ] - [ -0.0005783000000000, 0.0003470800000000, 0.0000200800000000 ] - [ -0.0021426100000000, 0.0020059000000000, 0.0049368200000000 ] - [ 0.0001755600000000, 0.0001839800000000, 0.0006809100000000 ] - [ -0.0003338500000000, -0.0000996200000000, -0.0007977300000000 ] - [ -0.0000343400000000, -0.0009975700000000, -0.0009308400000000 ] - [ 0.0009717600000000, -0.0005055600000000, 0.0024594800000000 ] - [ 0.0007263500000000, 0.0007551000000000, 0.0011212900000000 ] - [ -0.0005626300000000, 0.0000992800000000, 0.0009015500000000 ] - [ -0.0005933000000000, 0.0001042700000000, 0.0005630400000000 ] - [ 0.0005108400000000, 0.0007211700000000, -0.0003863600000000 ] - [ -0.0019874900000000, -0.0022245600000000, 0.0049582300000000 ] - [ -0.0000194100000000, 0.0000254700000000, 0.0008784700000000 ] - [ 0.0001875300000000, 0.0000830600000000, 0.0004034500000000 ] - [ -0.0062724800000000, 0.0016397200000000, 0.0015384700000000 ] - [ -0.0000237700000000, -0.0001211900000000, -0.0001772600000000 ] - [ -0.0005369800000000, 0.0003919600000000, 0.0018994600000000 ] - [ -0.0005037700000000, 0.0004352600000000, 0.0012942800000000 ] - [ 0.0022412500000000, 0.0239101900000000, 0.0211650700000000 ] - [ 0.0001279200000000, -0.0000515600000000, -0.0018820700000000 ] - [ 0.0001412100000000, -0.0004160600000000, -0.0003258600000000 ] - [ 0.0028325200000000, 0.0009965100000000, 0.0010039800000000 ] - [ 0.0003961500000000, 0.0003656800000000, 0.0010178300000000 ] - [ 0.0001166400000000, -0.0001709400000000, 0.0012858700000000 ] - [ 0.0005450200000000, -0.0001515500000000, -0.0001506500000000 ] - [ 0.0003811300000000, -0.0000829100000000, 0.0001983900000000 ] - [ -0.0019234800000000, -0.0001706400000000, 0.0026909000000000 ] - [ -0.0011153000000000, 0.0007775500000000, 0.0010472000000000 ]- atom: 53 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ -0.0002489300000000, 0.0000431400000000, 0.0005705400000000 ] - [ 0.0000696700000000, -0.0000719800000000, 0.0000775200000000 ] - [ -0.0002016000000000, -0.0000827600000000, 0.0005603400000000 ] - [ -0.0002465500000000, -0.0000296000000000, 0.0008554200000000 ] - [ -0.0011766300000000, -0.0008264800000000, -0.0002595400000000 ] - [ -0.0001441400000000, 0.0005139300000000, -0.0003360400000000 ] - [ 0.0000357700000000, -0.0001188400000000, 0.0009494700000000 ] - [ 0.0000829800000000, -0.0000082800000000, 0.0013788400000000 ] - [ -0.0002718400000000, 0.0008293500000000, -0.0006973900000000 ] - [ -0.0000569200000000, -0.0007685700000000, -0.0024498700000000 ] - [ 0.0009845600000000, -0.0001474100000000, 0.0017259100000000 ] - [ 0.0001089200000000, -0.0000980300000000, 0.0001827400000000 ] - [ 0.0004205600000000, 0.0010520800000000, -0.0007745300000000 ] - [ -0.0001851900000000, 0.0000900300000000, -0.0033841800000000 ] - [ 0.0004789700000000, -0.0001428700000000, -0.0026891300000000 ] - [ 0.0002197200000000, 0.0004186500000000, -0.0008356100000000 ] - [ -0.0000946500000000, 0.0020164500000000, 0.0017754800000000 ] - [ -0.0001305700000000, -0.0010638500000000, 0.0025056300000000 ] - [ 0.0000699300000000, -0.0011177100000000, -0.0008520600000000 ] - [ 0.0029959200000000, -0.0050659600000000, -0.0104641000000000 ] - [ 0.0002694100000000, 0.0001280100000000, 0.0016380100000000 ] - [ -0.0000810300000000, 0.0005845900000000, 0.0012286500000000 ] - [ -0.0019361300000000, -0.0002470700000000, -0.0018185800000000 ] - [ -0.0004592400000000, -0.0005504800000000, -0.0010767300000000 ] - [ -0.0135254000000000, -0.0020076900000000, 0.0104909100000000 ] - [ 0.0001881100000000, 0.0004129000000000, -0.0006654900000000 ] - [ -0.0062787900000000, -0.0481183300000000, -0.0762295400000000 ] - [ -0.0002567100000000, 0.0010581700000000, -0.0029578600000000 ] - [ -0.0013212700000000, -0.0035996400000000, 0.0060306200000000 ] - [ 0.0001465100000000, 0.0035090800000000, 0.0015712500000000 ] - [ -0.0005795100000000, 0.0000892200000000, -0.0006203200000000 ] - [ -0.0038737800000000, -0.0002578600000000, -0.0016833200000000 ] - [ 0.0000950600000000, -0.0000553400000000, 0.0029979000000000 ] - [ 0.0003225400000000, 0.0000422000000000, 0.0015110500000000 ] - [ 0.0005764800000000, -0.0008787700000000, -0.0001193500000000 ] - [ 0.0022940100000000, 0.0005860100000000, 0.0019756200000000 ] - [ 0.0001304300000000, 0.0003125000000000, 0.0016889900000000 ] - [ 0.0001058500000000, -0.0003047800000000, 0.0020406600000000 ] - [ 0.0000310200000000, 0.0006552200000000, -0.0000881500000000 ] - [ -0.0001498000000000, -0.0009406900000000, 0.0002232100000000 ] - [ -0.0037218300000000, 0.0064284400000000, 0.0122260000000000 ] - [ -0.0007153600000000, -0.0018597000000000, 0.0031866700000000 ] - [ 0.0006563800000000, 0.0000894200000000, 0.0002067300000000 ] - [ 0.0015474000000000, 0.0008802700000000, 0.0013644200000000 ] - [ -0.0007406400000000, 0.0005521900000000, -0.0002575200000000 ] - [ -0.0010705300000000, -0.0008575200000000, -0.0005951000000000 ] - [ 0.0000309900000000, 0.0009615600000000, 0.0127423200000000 ] - [ 0.0005789800000000, -0.0002134600000000, 0.0007033400000000 ] - [ -0.0006273500000000, -0.0002042100000000, -0.0005266400000000 ] - [ -0.0006711900000000, 0.0003031800000000, -0.0006773400000000 ] - [ 0.0009316400000000, 0.0016759800000000, -0.0009845300000000 ] - [ 0.0010910600000000, -0.0032554500000000, -0.0036226200000000 ] - [ 0.0119172300000000, 0.0735429700000000, 0.0945365700000000 ] - [ -0.0004133200000000, -0.0007070200000000, 0.0003409300000000 ] - [ -0.0002413100000000, 0.0007492100000000, -0.0010922200000000 ] - [ -0.0005712600000000, 0.0007504800000000, -0.0018795200000000 ] - [ -0.0000591700000000, -0.0000879500000000, 0.0006795200000000 ] - [ 0.0038237400000000, -0.0008461200000000, 0.0013868700000000 ] - [ 0.0002821400000000, 0.0001380700000000, -0.0012129600000000 ] - [ 0.0002548600000000, 0.0004366400000000, -0.0012214800000000 ] - [ 0.0003201900000000, 0.0000776900000000, -0.0001788700000000 ] - [ 0.0002846400000000, 0.0003882600000000, -0.0004715100000000 ] - [ 0.0013683300000000, 0.0033657300000000, -0.0061891000000000 ] - [ 0.0001228400000000, -0.0013845500000000, 0.0008035500000000 ] - [ 0.0001020700000000, -0.0002197500000000, -0.0005181500000000 ] - [ 0.0001686800000000, 0.0004367200000000, -0.0007792000000000 ] - [ 0.0005108200000000, -0.0005826300000000, 0.0014237500000000 ] - [ 0.0016522500000000, -0.0011960300000000, 0.0017403300000000 ] - [ -0.0006622600000000, 0.0004876400000000, -0.0000623400000000 ] - [ -0.0005260500000000, -0.0003331000000000, 0.0002336100000000 ] - [ 0.0024574900000000, -0.0009871300000000, -0.0034412500000000 ] - [ 0.0001416100000000, 0.0008242600000000, 0.0008116800000000 ] - [ 0.0000123400000000, -0.0009229500000000, -0.0007111500000000 ] - [ -0.0002847800000000, -0.0000133300000000, -0.0005654000000000 ] - [ -0.0007582200000000, 0.0006474700000000, -0.0019054400000000 ] - [ -0.0005092600000000, -0.0006300900000000, -0.0005549200000000 ] - [ -0.0005238300000000, 0.0008356700000000, -0.0018340200000000 ] - [ -0.0004919400000000, 0.0008232200000000, -0.0014935200000000 ] - [ 0.0005941800000000, -0.0007434100000000, 0.0001250100000000 ] - [ 0.0030704100000000, 0.0022120100000000, -0.0051563300000000 ] - [ 0.0004770300000000, 0.0000787500000000, -0.0011795400000000 ] - [ 0.0002662300000000, 0.0000183600000000, -0.0007036800000000 ] - [ 0.0064419400000000, -0.0017418700000000, -0.0009636900000000 ] - [ 0.0002447400000000, -0.0000161600000000, 0.0007452600000000 ] - [ -0.0005247100000000, -0.0004339600000000, -0.0011343600000000 ] - [ -0.0005582700000000, -0.0004793800000000, -0.0005292800000000 ] - [ -0.0027161300000000, -0.0235993300000000, -0.0215069500000000 ] - [ -0.0007107400000000, -0.0001011100000000, 0.0011343200000000 ] - [ -0.0003552000000000, 0.0002812500000000, -0.0002301700000000 ] - [ -0.0030847300000000, -0.0011354300000000, -0.0015821400000000 ] - [ 0.0001913000000000, -0.0002185400000000, -0.0002762000000000 ] - [ 0.0004694400000000, 0.0003193200000000, -0.0005415800000000 ] - [ 0.0000336600000000, 0.0000032200000000, 0.0009137100000000 ] - [ 0.0001972700000000, -0.0000608300000000, 0.0005578000000000 ] - [ 0.0013502200000000, 0.0003238700000000, -0.0034583700000000 ] - [ 0.0005382300000000, -0.0006393800000000, -0.0018023000000000 ]- atom: 55 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ -0.0000633500000000, 0.0001127300000000, -0.0002001800000000 ] - [ -0.0001043100000000, -0.0001617500000000, -0.0000777100000000 ] - [ 0.0019826800000000, 0.0000193900000000, -0.0007434200000000 ] - [ -0.0001512100000000, -0.0000032600000000, 0.0001241300000000 ] - [ -0.0004700400000000, -0.0006230700000000, 0.0000097500000000 ] - [ -0.0007013300000000, 0.0009993100000000, 0.0003015700000000 ] - [ -0.0022848600000000, 0.0005772300000000, 0.0022931100000000 ] - [ -0.0000951500000000, -0.0002103400000000, 0.0004962900000000 ] - [ 0.0003984800000000, -0.0000383500000000, -0.0003625900000000 ] - [ 0.0000284700000000, 0.0000028100000000, 0.0003263100000000 ] - [ 0.0001678100000000, -0.0000407800000000, -0.0001338800000000 ] - [ 0.0002371300000000, -0.0000443800000000, -0.0001303400000000 ] - [ -0.0003287200000000, 0.0000330100000000, 0.0002385900000000 ] - [ -0.0001271300000000, 0.0000395300000000, 0.0000870600000000 ] - [ 0.0006264200000000, 0.0008280900000000, -0.0003512000000000 ] - [ 0.0008715000000000, -0.0008505800000000, -0.0010508200000000 ] - [ -0.0000978900000000, 0.0004038700000000, -0.0005381800000000 ] - [ 0.0002521300000000, 0.0003862700000000, -0.0002058100000000 ] - [ -0.0049868300000000, -0.0003151900000000, -0.0021058700000000 ] - [ 0.0001810800000000, -0.0005253700000000, -0.0003525500000000 ] - [ 0.0014588800000000, 0.0007534800000000, -0.0006361300000000 ] - [ 0.0037414100000000, 0.0010145400000000, -0.0000543000000000 ] - [ -0.0003343700000000, -0.0007056400000000, 0.0005904700000000 ] - [ -0.0003174400000000, 0.0000488700000000, 0.0006068500000000 ] - [ 0.0000455700000000, -0.0000105900000000, 0.0001267400000000 ] - [ 0.0000250800000000, -0.0000756800000000, 0.0001386600000000 ] - [ -0.0002569400000000, 0.0006380000000000, -0.0008602500000000 ] - [ -0.0003166900000000, -0.0004639000000000, -0.0008010300000000 ] - [ -0.0015952500000000, 0.0012400800000000, 0.0002155500000000 ] - [ -0.0042794400000000, -0.0010044200000000, 0.0000427500000000 ] - [ -0.0015696800000000, -0.0010804400000000, 0.0124865200000000 ] - [ -0.0005717300000000, -0.0000311500000000, 0.0003286700000000 ] - [ -0.0004688300000000, -0.0008137800000000, -0.0001438900000000 ] - [ -0.0019104200000000, 0.0005655500000000, -0.0004863200000000 ] - [ 0.0609894400000000, 0.0143329900000000, -0.0149995400000000 ] - [ 0.0005056200000000, -0.0002542400000000, -0.0001139500000000 ] - [ 0.0022385200000000, 0.0005664000000000, 0.0013639900000000 ] - [ -0.0000761200000000, -0.0003094200000000, 0.0006285200000000 ] - [ 0.0001056600000000, 0.0000906700000000, 0.0004302200000000 ] - [ 0.0001065600000000, -0.0000208800000000, -0.0000487000000000 ] - [ 0.0000947500000000, -0.0006818800000000, 0.0011012200000000 ] - [ -0.0003689500000000, 0.0001320400000000, 0.0005704100000000 ] - [ -0.0003313400000000, -0.0015838000000000, -0.0033908100000000 ] - [ 0.0005098800000000, 0.0001496700000000, -0.0003947500000000 ] - [ -0.0127918700000000, 0.0084385700000000, -0.0052063400000000 ] - [ -0.0013140800000000, -0.0001315800000000, 0.0002029400000000 ] - [ 0.0007882300000000, -0.0000813800000000, -0.0001116500000000 ] - [ 0.0007796400000000, -0.0000751700000000, -0.0001529800000000 ] - [ -0.0014381700000000, 0.0000303600000000, 0.0007725800000000 ] - [ -0.0004330600000000, 0.0000838800000000, 0.0001470000000000 ] - [ 0.0023903800000000, -0.0007793900000000, -0.0002022000000000 ] - [ 0.0013411100000000, 0.0006787800000000, 0.0000979100000000 ] - [ -0.0004747100000000, -0.0006131200000000, -0.0003588700000000 ] - [ -0.0000717400000000, 0.0000081400000000, 0.0000963300000000 ] - [ -0.0595477900000000, -0.0215616100000000, 0.0253327800000000 ] - [ -0.0003116100000000, 0.0006300700000000, -0.0006692400000000 ] - [ 0.0034750900000000, 0.0000234700000000, -0.0018843400000000 ] - [ -0.0000433700000000, -0.0000531000000000, 0.0001685300000000 ] - [ -0.0005226900000000, -0.0004024400000000, -0.0013178600000000 ] - [ 0.0004916900000000, 0.0002870000000000, -0.0006850400000000 ] - [ -0.0006524200000000, 0.0002707400000000, -0.0010949700000000 ] - [ 0.0004264300000000, 0.0005745400000000, 0.0004696900000000 ] - [ 0.0004119700000000, -0.0008162000000000, 0.0009294600000000 ] - [ 0.0017253600000000, 0.0002681400000000, 0.0008920900000000 ] - [ -0.0001079000000000, 0.0000605000000000, -0.0006576200000000 ] - [ -0.0001110100000000, 0.0000959400000000, -0.0003612300000000 ] - [ -0.0007967900000000, 0.0017613000000000, -0.0022822300000000 ] - [ 0.0004470100000000, -0.0005639400000000, 0.0004541300000000 ] - [ -0.0005283300000000, 0.0000700500000000, -0.0000176500000000 ] - [ -0.0005376600000000, 0.0000668100000000, -0.0001315200000000 ] - [ 0.0001430100000000, 0.0005455300000000, 0.0008309200000000 ] - [ 0.0001429000000000, 0.0005284600000000, 0.0008020000000000 ] - [ -0.0001733800000000, -0.0006095400000000, -0.0011693500000000 ] - [ -0.0001467100000000, -0.0006079800000000, -0.0008729800000000 ] - [ 0.0005971500000000, -0.0007437400000000, 0.0004570700000000 ] - [ 0.0023775500000000, 0.0022074300000000, 0.0002348400000000 ] - [ 0.0003773600000000, 0.0009497800000000, -0.0000811600000000 ] - [ 0.0001303200000000, 0.0001233500000000, -0.0004577900000000 ] - [ 0.0005565100000000, -0.0000000200000000, -0.0000260500000000 ] - [ 0.0005130200000000, -0.0000212900000000, -0.0000943300000000 ] - [ 0.0005877600000000, 0.0005938400000000, 0.0001264200000000 ] - [ 0.0010699500000000, -0.0011141400000000, 0.0008280800000000 ] - [ -0.0000326100000000, -0.0000833100000000, 0.0002842700000000 ] - [ -0.0000636600000000, -0.0000586600000000, 0.0002851700000000 ] - [ -0.0002623000000000, 0.0002617700000000, 0.0003918900000000 ] - [ 0.0005025700000000, -0.0001033700000000, 0.0006101300000000 ] - [ -0.0003198900000000, -0.0001800100000000, -0.0001290600000000 ] - [ -0.0002912400000000, -0.0000031300000000, -0.0001940200000000 ] - [ -0.0027832500000000, -0.0088571300000000, 0.0241859100000000 ] - [ -0.0004134500000000, -0.0000191100000000, -0.0004294400000000 ] - [ 0.0001636500000000, -0.0000130900000000, -0.0000748500000000 ] - [ 0.0003166600000000, 0.0001392600000000, 0.0002433100000000 ] - [ 0.0093090500000000, 0.0062383300000000, -0.0331574100000000 ] - [ 0.0001689800000000, 0.0000467300000000, 0.0004408300000000 ] - [ 0.0005722800000000, -0.0000542600000000, -0.0008595600000000 ] - [ 0.0016050600000000, -0.0005216400000000, -0.0009297200000000 ]- atom: 55 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ 0.0001767200000000, -0.0001593600000000, -0.0004884100000000 ] - [ 0.0002175600000000, 0.0001093000000000, -0.0006098200000000 ] - [ -0.0023827200000000, -0.0001618700000000, 0.0008349700000000 ] - [ 0.0000102300000000, -0.0000814800000000, 0.0000573600000000 ] - [ 0.0005946900000000, 0.0007017700000000, -0.0001921800000000 ] - [ 0.0008368000000000, -0.0009181700000000, -0.0004924100000000 ] - [ 0.0022059200000000, -0.0006303300000000, -0.0016140400000000 ] - [ -0.0000148400000000, 0.0001585600000000, 0.0001949700000000 ] - [ -0.0005112200000000, 0.0000899300000000, 0.0010633100000000 ] - [ -0.0001408100000000, 0.0000458000000000, 0.0003673100000000 ] - [ -0.0000301700000000, -0.0000390400000000, -0.0000484500000000 ] - [ -0.0000997000000000, -0.0000396300000000, -0.0000507800000000 ] - [ 0.0001912000000000, 0.0000497100000000, -0.0000498700000000 ] - [ -0.0000105500000000, 0.0000417700000000, 0.0000991300000000 ] - [ -0.0005055400000000, -0.0007924800000000, -0.0003273200000000 ] - [ -0.0007555400000000, 0.0009079900000000, 0.0003605200000000 ] - [ 0.0006579400000000, 0.0003723200000000, 0.0003474100000000 ] - [ 0.0003069800000000, 0.0003858500000000, 0.0000061100000000 ] - [ 0.0055697200000000, -0.0004482400000000, 0.0018819600000000 ] - [ 0.0003810300000000, -0.0002526500000000, 0.0001417000000000 ] - [ -0.0020055000000000, 0.0000151800000000, 0.0007989800000000 ] - [ -0.0043176000000000, -0.0003555400000000, 0.0003002300000000 ] - [ -0.0002265600000000, -0.0000689800000000, -0.0003762500000000 ] - [ -0.0002430300000000, -0.0008220900000000, -0.0003956500000000 ] - [ -0.0003134800000000, -0.0000546400000000, 0.0003608200000000 ] - [ -0.0002928200000000, 0.0000093500000000, 0.0003462600000000 ] - [ 0.0011054000000000, -0.0006764000000000, 0.0001438000000000 ] - [ 0.0011646500000000, 0.0004367100000000, 0.0000791000000000 ] - [ 0.0013311100000000, -0.0011547600000000, 0.0002473400000000 ] - [ 0.0040055600000000, 0.0010558300000000, 0.0004109300000000 ] - [ 0.0007172500000000, 0.0010628600000000, -0.0116979100000000 ] - [ -0.0002796900000000, -0.0000074100000000, 0.0003985400000000 ] - [ 0.0013081000000000, 0.0008657700000000, -0.0005913100000000 ] - [ 0.0027592500000000, -0.0005515600000000, -0.0002372900000000 ] - [ -0.0603241100000000, -0.0134113100000000, 0.0129732600000000 ] - [ -0.0002364200000000, 0.0001792700000000, -0.0003642800000000 ] - [ -0.0030907900000000, -0.0005264900000000, -0.0006159600000000 ] - [ -0.0007758900000000, 0.0003400900000000, 0.0000987800000000 ] - [ 0.0001615600000000, -0.0000254100000000, -0.0008915500000000 ] - [ 0.0001623100000000, 0.0000858100000000, -0.0004219000000000 ] - [ -0.0011625800000000, 0.0007302600000000, -0.0003408100000000 ] - [ -0.0006939600000000, -0.0000892600000000, 0.0001968900000000 ] - [ 0.0013962200000000, 0.0016300700000000, 0.0026304000000000 ] - [ 0.0005548500000000, -0.0001016800000000, -0.0003747900000000 ] - [ 0.0117682700000000, -0.0083754500000000, 0.0053816100000000 ] - [ 0.0002121000000000, 0.0001187300000000, 0.0000575800000000 ] - [ -0.0003389200000000, -0.0000196600000000, -0.0001911800000000 ] - [ -0.0003309000000000, -0.0000287500000000, -0.0001477600000000 ] - [ 0.0009897800000000, 0.0000707900000000, -0.0004814500000000 ] - [ -0.0000143100000000, 0.0000198400000000, 0.0001518000000000 ] - [ -0.0012878900000000, 0.0007813700000000, -0.0000416400000000 ] - [ -0.0002362500000000, -0.0006547900000000, -0.0003469700000000 ] - [ -0.0006131200000000, -0.0003151500000000, -0.0005724300000000 ] - [ -0.0010167100000000, -0.0009450800000000, -0.0010293700000000 ] - [ 0.0591229600000000, 0.0216917600000000, -0.0256057500000000 ] - [ -0.0000070000000000, 0.0003872100000000, -0.0008205500000000 ] - [ -0.0039252200000000, -0.0001295900000000, 0.0021793300000000 ] - [ -0.0004033700000000, -0.0000478500000000, 0.0001316200000000 ] - [ 0.0015827300000000, 0.0003485000000000, 0.0005458900000000 ] - [ 0.0005691700000000, -0.0003336600000000, -0.0000783600000000 ] - [ 0.0017380800000000, 0.0006661400000000, 0.0020110100000000 ] - [ 0.0006592900000000, 0.0003592700000000, 0.0004628700000000 ] - [ -0.0000968900000000, -0.0002005300000000, 0.0005737000000000 ] - [ -0.0014062500000000, -0.0012805800000000, 0.0006147300000000 ] - [ -0.0001150400000000, 0.0000730600000000, 0.0000820800000000 ] - [ -0.0001124500000000, 0.0000380300000000, -0.0002101200000000 ] - [ 0.0018907700000000, -0.0027087500000000, 0.0032101800000000 ] - [ 0.0006399800000000, -0.0003661700000000, 0.0004741200000000 ] - [ -0.0005755500000000, -0.0000540700000000, 0.0002715100000000 ] - [ -0.0005659400000000, -0.0000506200000000, 0.0003838700000000 ] - [ 0.0001748700000000, 0.0004610400000000, 0.0006543500000000 ] - [ 0.0001745500000000, 0.0004823700000000, 0.0006869900000000 ] - [ -0.0001438400000000, -0.0004051800000000, -0.0003331400000000 ] - [ -0.0001709900000000, -0.0004037200000000, -0.0006234300000000 ] - [ -0.0003814600000000, 0.0008680600000000, 0.0001154800000000 ] - [ -0.0021478100000000, -0.0020542400000000, 0.0003351200000000 ] - [ -0.0014632300000000, -0.0000349200000000, -0.0008534700000000 ] - [ -0.0012177400000000, 0.0008167700000000, -0.0004742900000000 ] - [ 0.0005467500000000, -0.0000127300000000, -0.0002368800000000 ] - [ 0.0005905800000000, 0.0000067600000000, -0.0001665100000000 ] - [ -0.0001279100000000, -0.0004974100000000, -0.0004202800000000 ] - [ -0.0006173000000000, 0.0012269100000000, -0.0011322400000000 ] - [ 0.0002508400000000, -0.0000490300000000, 0.0002776700000000 ] - [ 0.0002828900000000, -0.0000743800000000, 0.0002783300000000 ] - [ -0.0007991100000000, -0.0003102400000000, 0.0003753700000000 ] - [ -0.0015632000000000, 0.0000702000000000, 0.0001510100000000 ] - [ -0.0002597300000000, 0.0000347600000000, -0.0006277500000000 ] - [ -0.0002898100000000, -0.0001438200000000, -0.0005606600000000 ] - [ 0.0025010800000000, 0.0087372500000000, -0.0246087200000000 ] - [ 0.0001900400000000, -0.0001106000000000, -0.0001375000000000 ] - [ 0.0004236700000000, 0.0001594800000000, 0.0008153100000000 ] - [ 0.0002667100000000, 0.0000081900000000, 0.0005048500000000 ] - [ -0.0088147700000000, -0.0064089100000000, 0.0342067400000000 ] - [ 0.0004132900000000, -0.0001884300000000, 0.0003087500000000 ] - [ -0.0011560300000000, 0.0001974600000000, 0.0001152700000000 ] - [ -0.0021911700000000, 0.0006749300000000, 0.0001842000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000197400000000, -0.0001196600000000, -0.0005631400000000 ] - [ -0.0003167800000000, 0.0000238500000000, 0.0004953900000000 ] - [ 0.0004461000000000, 0.0034702200000000, -0.0009630900000000 ] - [ 0.0001295900000000, -0.0014835500000000, -0.0001331900000000 ] - [ -0.0018276400000000, -0.0008931600000000, 0.0009587100000000 ] - [ 0.0005156700000000, 0.0002618600000000, -0.0013337400000000 ] - [ -0.0004332600000000, 0.0024974900000000, 0.0000021400000000 ] - [ -0.0003076700000000, -0.0013869000000000, 0.0002544200000000 ] - [ 0.0000886900000000, 0.0003693700000000, 0.0013321000000000 ] - [ -0.0000647100000000, -0.0002951800000000, 0.0004763100000000 ] - [ 0.0001466400000000, -0.0001678500000000, -0.0001957300000000 ] - [ 0.0003064100000000, 0.0000115000000000, 0.0010244600000000 ] - [ -0.0000799800000000, 0.0002646700000000, 0.0005600300000000 ] - [ -0.0000062700000000, -0.0001862700000000, 0.0003625600000000 ] - [ 0.0014350000000000, -0.0017698900000000, 0.0018864000000000 ] - [ -0.0003874700000000, 0.0003418100000000, -0.0026619000000000 ] - [ 0.0003652700000000, 0.0013561500000000, 0.0003937000000000 ] - [ 0.0004451400000000, -0.0005482700000000, 0.0005479300000000 ] - [ 0.0020614100000000, 0.0017301400000000, -0.0004723800000000 ] - [ 0.0001836700000000, -0.0019690100000000, -0.0007394300000000 ] - [ 0.0013023100000000, -0.0065365500000000, -0.0076234500000000 ] - [ 0.0000590800000000, 0.0195113700000000, -0.0063053700000000 ] - [ -0.0004257200000000, -0.0008044700000000, 0.0014067000000000 ] - [ -0.0003480200000000, 0.0000809900000000, 0.0007613800000000 ] - [ -0.0000844000000000, -0.0005817100000000, 0.0012752000000000 ] - [ -0.0001217400000000, 0.0004087700000000, 0.0012894100000000 ] - [ 0.0005008000000000, -0.0007443400000000, 0.0008751200000000 ] - [ 0.0003860600000000, 0.0007198700000000, -0.0000367300000000 ] - [ 0.0013885200000000, -0.0000623600000000, 0.0003174300000000 ] - [ -0.0034954600000000, -0.0013655900000000, -0.0042388000000000 ] - [ -0.0023818500000000, 0.0011347200000000, 0.0034069700000000 ] - [ -0.0004234600000000, -0.0017838400000000, -0.0005796000000000 ] - [ -0.0010953000000000, -0.0002545900000000, -0.0022872000000000 ] - [ 0.0046643200000000, 0.0003434200000000, 0.0006803100000000 ] - [ 0.0123885400000000, 0.1534167700000000, -0.1344604700000000 ] - [ -0.0004511000000000, -0.0080590800000000, -0.0018337500000000 ] - [ -0.0000484400000000, 0.0069815600000000, 0.0010967000000000 ] - [ 0.0007891100000000, -0.0049048400000000, 0.0024115200000000 ] - [ -0.0001626400000000, 0.0007607800000000, 0.0011696800000000 ] - [ -0.0004874200000000, -0.0008309400000000, 0.0009347500000000 ] - [ -0.0010685200000000, 0.0003628400000000, -0.0003757900000000 ] - [ -0.0004119300000000, -0.0000180200000000, 0.0005266500000000 ] - [ 0.0004482500000000, -0.0017411800000000, -0.0016904900000000 ] - [ 0.0009201800000000, 0.0013014200000000, -0.0004502500000000 ] - [ 0.0069280300000000, 0.0345119800000000, -0.0268641400000000 ] - [ -0.0006062100000000, 0.0066403200000000, 0.0032946400000000 ] - [ 0.0001916000000000, 0.0001895100000000, -0.0006725000000000 ] - [ 0.0002377700000000, -0.0002863700000000, -0.0002268400000000 ] - [ -0.0005669400000000, -0.0014230000000000, -0.0000767200000000 ] - [ -0.0008628700000000, 0.0011908000000000, -0.0003531100000000 ] - [ 0.0002554900000000, -0.0004685700000000, 0.0002334200000000 ] - [ 0.0011948700000000, 0.0015831300000000, 0.0012569300000000 ] - [ -0.0008200900000000, 0.0001126700000000, -0.0007949500000000 ] - [ -0.0006683400000000, -0.0012745300000000, -0.0007556700000000 ] - [ -0.0222537600000000, -0.1944183200000000, 0.1863926800000000 ] - [ -0.0000344700000000, 0.0045824300000000, -0.0011569200000000 ] - [ 0.0005887700000000, -0.0005470400000000, -0.0001806300000000 ] - [ -0.0001550700000000, 0.0005482000000000, 0.0003467400000000 ] - [ 0.0005217700000000, -0.0024008300000000, 0.0022936000000000 ] - [ 0.0007682300000000, 0.0052016900000000, -0.0048226700000000 ] - [ 0.0005933700000000, -0.0031574700000000, -0.0035323500000000 ] - [ 0.0005432400000000, 0.0031621400000000, 0.0013633900000000 ] - [ -0.0001484100000000, 0.0001002100000000, 0.0007429200000000 ] - [ 0.0009272600000000, -0.0015319700000000, 0.0028629500000000 ] - [ -0.0001039900000000, -0.0003030800000000, -0.0007717900000000 ] - [ -0.0000673000000000, 0.0004801700000000, -0.0007077500000000 ] - [ 0.0016028900000000, -0.0015409900000000, -0.0008110600000000 ] - [ 0.0003325700000000, 0.0001998600000000, 0.0007424900000000 ] - [ -0.0004726400000000, 0.0006616600000000, -0.0003751000000000 ] - [ -0.0004361000000000, -0.0003207500000000, -0.0004903300000000 ] - [ 0.0001379200000000, 0.0003014700000000, 0.0003215000000000 ] - [ 0.0001196500000000, 0.0002992600000000, 0.0000083500000000 ] - [ -0.0000524800000000, -0.0009956500000000, -0.0016665300000000 ] - [ -0.0000539700000000, -0.0005349000000000, -0.0012895200000000 ] - [ -0.0014230700000000, 0.0006305900000000, 0.0007823700000000 ] - [ 0.0049113500000000, 0.0017435400000000, 0.0016636300000000 ] - [ -0.0002036400000000, -0.0001993700000000, 0.0001434400000000 ] - [ -0.0014457000000000, 0.0015005700000000, -0.0011451000000000 ] - [ 0.0004938000000000, -0.0002690300000000, -0.0005618900000000 ] - [ 0.0005112800000000, 0.0004906200000000, -0.0006089100000000 ] - [ 0.0016717300000000, 0.0005735900000000, 0.0012318500000000 ] - [ -0.0043528800000000, 0.0006350000000000, -0.0022146400000000 ] - [ -0.0000851700000000, 0.0001843300000000, -0.0003546000000000 ] - [ -0.0000825400000000, -0.0002276300000000, -0.0001234600000000 ] - [ -0.0000461200000000, 0.0009406900000000, 0.0010127800000000 ] - [ -0.0014584500000000, -0.0013556800000000, -0.0003460200000000 ] - [ 0.0000088200000000, 0.0001168400000000, -0.0011560700000000 ] - [ -0.0001777800000000, -0.0001953100000000, -0.0008778700000000 ] - [ -0.0020997100000000, -0.0099464200000000, -0.0083707900000000 ] - [ 0.0007006600000000, 0.0020014200000000, 0.0007418000000000 ] - [ 0.0004742500000000, -0.0009860800000000, -0.0003685100000000 ] - [ 0.0007719200000000, 0.0010293500000000, -0.0011449600000000 ] - [ 0.0013100900000000, -0.0085357500000000, -0.0024832800000000 ] - [ -0.0007504700000000, 0.0020992800000000, 0.0015394900000000 ] - [ -0.0005191800000000, 0.0003681200000000, 0.0005480400000000 ] - [ -0.0004107100000000, -0.0000030000000000, 0.0002801800000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000910500000000, 0.0000664800000000, -0.0001278300000000 ] - [ 0.0004236500000000, -0.0000703000000000, -0.0011783800000000 ] - [ -0.0005935300000000, -0.0035375900000000, 0.0011292800000000 ] - [ -0.0002591400000000, 0.0013940100000000, 0.0003190300000000 ] - [ 0.0019722300000000, 0.0009606300000000, -0.0011515400000000 ] - [ -0.0003752900000000, -0.0001645200000000, 0.0011374000000000 ] - [ 0.0003283000000000, -0.0025325500000000, 0.0006731600000000 ] - [ 0.0001884000000000, 0.0013279300000000, 0.0004372000000000 ] - [ -0.0001979900000000, -0.0003180100000000, -0.0006229300000000 ] - [ -0.0000488400000000, 0.0003444100000000, 0.0002139500000000 ] - [ -0.0000073200000000, 0.0000825300000000, 0.0000130400000000 ] - [ -0.0001648100000000, -0.0000898500000000, -0.0011967000000000 ] - [ -0.0000585500000000, -0.0001823800000000, -0.0003659400000000 ] - [ -0.0001297000000000, 0.0002671500000000, -0.0001747400000000 ] - [ -0.0013296800000000, 0.0017972400000000, -0.0025846600000000 ] - [ 0.0004975000000000, -0.0002704100000000, 0.0019525400000000 ] - [ 0.0001956400000000, -0.0005771900000000, -0.0005950500000000 ] - [ 0.0001186400000000, 0.0013173800000000, -0.0007438700000000 ] - [ -0.0014596700000000, -0.0024875200000000, 0.0002699600000000 ] - [ 0.0003728100000000, 0.0011893700000000, 0.0005249100000000 ] - [ -0.0018717300000000, 0.0072993100000000, 0.0078539000000000 ] - [ -0.0005421400000000, -0.0177257200000000, 0.0059009600000000 ] - [ -0.0001356700000000, 0.0000164500000000, -0.0011900200000000 ] - [ -0.0002132800000000, -0.0008397600000000, -0.0005447000000000 ] - [ -0.0001829400000000, 0.0005086500000000, -0.0007878600000000 ] - [ -0.0001443400000000, -0.0004671800000000, -0.0007984500000000 ] - [ 0.0003483900000000, 0.0006880000000000, -0.0015886300000000 ] - [ 0.0004603800000000, -0.0007319800000000, -0.0006833700000000 ] - [ -0.0016557800000000, 0.0000945200000000, 0.0001461700000000 ] - [ 0.0031977700000000, 0.0014377700000000, 0.0046642700000000 ] - [ 0.0015087100000000, -0.0011696100000000, -0.0025173700000000 ] - [ -0.0004173900000000, 0.0017530500000000, 0.0012780500000000 ] - [ 0.0019494200000000, 0.0002704400000000, 0.0015547200000000 ] - [ -0.0037763500000000, -0.0002983600000000, -0.0014030000000000 ] - [ -0.0127374900000000, -0.1555499600000000, 0.1401113300000000 ] - [ 0.0007102000000000, 0.0079496800000000, 0.0013254500000000 ] - [ -0.0007848000000000, -0.0069045000000000, -0.0003703700000000 ] - [ -0.0016207400000000, 0.0048974200000000, -0.0016537600000000 ] - [ 0.0004245400000000, -0.0006886200000000, -0.0016280700000000 ] - [ 0.0007446400000000, 0.0008868100000000, -0.0013936700000000 ] - [ -0.0000009900000000, -0.0003009900000000, 0.0011292400000000 ] - [ -0.0006478900000000, 0.0000535500000000, 0.0002439400000000 ] - [ 0.0006131800000000, 0.0017564200000000, 0.0008851700000000 ] - [ 0.0001427800000000, -0.0012512200000000, -0.0003078000000000 ] - [ -0.0082643700000000, -0.0353381400000000, 0.0276917600000000 ] - [ -0.0005021200000000, -0.0066106800000000, -0.0030006500000000 ] - [ 0.0002579900000000, -0.0002840900000000, 0.0003696300000000 ] - [ 0.0002134300000000, 0.0001762300000000, -0.0000749600000000 ] - [ 0.0001087500000000, 0.0015164400000000, 0.0003781300000000 ] - [ 0.0004017200000000, -0.0010792600000000, 0.0006437300000000 ] - [ 0.0008461700000000, 0.0005048600000000, -0.0004808300000000 ] - [ -0.0000850700000000, -0.0015634700000000, -0.0015004400000000 ] - [ -0.0002632500000000, -0.0010327700000000, -0.0001319100000000 ] - [ -0.0004198200000000, 0.0003272100000000, -0.0001814900000000 ] - [ 0.0225500200000000, 0.1969340400000000, -0.1934753500000000 ] - [ -0.0002797800000000, -0.0035554200000000, -0.0003366300000000 ] - [ -0.0009996300000000, 0.0004428300000000, 0.0004466100000000 ] - [ -0.0002992800000000, -0.0006511900000000, -0.0000421900000000 ] - [ 0.0005415600000000, 0.0023528600000000, -0.0030531600000000 ] - [ 0.0003011500000000, -0.0051930800000000, 0.0040021000000000 ] - [ 0.0004933900000000, 0.0040531900000000, 0.0044285700000000 ] - [ 0.0005429900000000, -0.0022129500000000, -0.0004376300000000 ] - [ 0.0004666300000000, -0.0011006300000000, 0.0007517300000000 ] - [ -0.0006054100000000, 0.0004963100000000, -0.0013417500000000 ] - [ -0.0001169400000000, 0.0004335600000000, 0.0001981200000000 ] - [ -0.0001532300000000, -0.0003435900000000, 0.0001325400000000 ] - [ -0.0005168000000000, 0.0006462300000000, 0.0017043000000000 ] - [ 0.0007528000000000, -0.0011376800000000, 0.0001949300000000 ] - [ -0.0006295200000000, -0.0006370700000000, 0.0006243000000000 ] - [ -0.0006662200000000, 0.0003329200000000, 0.0007401900000000 ] - [ 0.0001798900000000, 0.0007095300000000, 0.0011665800000000 ] - [ 0.0001974900000000, 0.0007076800000000, 0.0014765600000000 ] - [ -0.0002633400000000, -0.0000198800000000, 0.0001595800000000 ] - [ -0.0002618400000000, -0.0004806500000000, -0.0002122100000000 ] - [ 0.0016504000000000, -0.0004855300000000, -0.0002086300000000 ] - [ -0.0046401700000000, -0.0016061400000000, -0.0010773000000000 ] - [ -0.0008827800000000, 0.0011406400000000, -0.0010683800000000 ] - [ 0.0003525800000000, -0.0005669400000000, 0.0002118600000000 ] - [ 0.0006096600000000, 0.0002496900000000, 0.0002979300000000 ] - [ 0.0005924000000000, -0.0005018600000000, 0.0003467200000000 ] - [ -0.0012242900000000, -0.0004630400000000, -0.0015312600000000 ] - [ 0.0047576000000000, -0.0005367600000000, 0.0018994300000000 ] - [ 0.0003040700000000, -0.0003126900000000, 0.0009172100000000 ] - [ 0.0003013300000000, 0.0000905100000000, 0.0006849200000000 ] - [ -0.0010155800000000, -0.0009756100000000, -0.0002436600000000 ] - [ 0.0003861400000000, 0.0012944800000000, 0.0011086700000000 ] - [ -0.0005882500000000, -0.0002589600000000, 0.0003966000000000 ] - [ -0.0004038900000000, 0.0000443900000000, 0.0001197500000000 ] - [ 0.0018097100000000, 0.0099969500000000, 0.0076270900000000 ] - [ -0.0009091200000000, -0.0021242700000000, -0.0012945400000000 ] - [ 0.0001117700000000, 0.0011266400000000, 0.0011070400000000 ] - [ -0.0001818700000000, -0.0008740800000000, 0.0018714100000000 ] - [ -0.0005652400000000, 0.0084744600000000, 0.0029182200000000 ] - [ 0.0013195800000000, -0.0022374400000000, -0.0007665900000000 ] - [ -0.0000720200000000, -0.0002118100000000, -0.0012923900000000 ] - [ -0.0001715500000000, 0.0001430200000000, -0.0010192200000000 ]- atom: 55 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ 0.0005040600000000, -0.0005525200000000, -0.0008473400000000 ] - [ 0.0006745100000000, 0.0004798300000000, -0.0012784400000000 ] - [ -0.0011246300000000, -0.0011200100000000, 0.0032328500000000 ] - [ -0.0001234400000000, 0.0005524000000000, 0.0007745700000000 ] - [ 0.0013055500000000, 0.0016096800000000, 0.0002107700000000 ] - [ 0.0008780900000000, -0.0015952500000000, 0.0006876700000000 ] - [ 0.0035462600000000, -0.0012065600000000, 0.0003790900000000 ] - [ 0.0001411200000000, 0.0005723400000000, 0.0006707900000000 ] - [ -0.0004693000000000, -0.0001936600000000, -0.0019494900000000 ] - [ -0.0000628600000000, 0.0001035300000000, -0.0000889500000000 ] - [ -0.0002919700000000, -0.0005505500000000, -0.0008870300000000 ] - [ -0.0004514200000000, 0.0005262100000000, -0.0015269700000000 ] - [ -0.0000060700000000, -0.0000411700000000, -0.0014841400000000 ] - [ -0.0001535500000000, 0.0001307500000000, -0.0005142700000000 ] - [ -0.0006038500000000, 0.0025245400000000, -0.0011913700000000 ] - [ -0.0006962600000000, -0.0023534900000000, -0.0003873500000000 ] - [ -0.0004172400000000, -0.0001276100000000, -0.0020374500000000 ] - [ 0.0001234800000000, 0.0007666300000000, -0.0013036800000000 ] - [ -0.0033026100000000, -0.0017627500000000, 0.0014933200000000 ] - [ 0.0002449500000000, 0.0001483800000000, 0.0010563100000000 ] - [ -0.0012865600000000, -0.0030054400000000, 0.0049127600000000 ] - [ -0.0011941100000000, -0.0051199700000000, 0.0064217200000000 ] - [ -0.0000364300000000, 0.0006206000000000, -0.0026618800000000 ] - [ -0.0000510600000000, -0.0016164000000000, -0.0024646000000000 ] - [ -0.0000902300000000, 0.0002903100000000, -0.0025397400000000 ] - [ -0.0002468500000000, 0.0000099200000000, -0.0025070000000000 ] - [ 0.0004292500000000, 0.0020245900000000, -0.0027884600000000 ] - [ 0.0006301900000000, -0.0017089800000000, -0.0021021400000000 ] - [ 0.0001934400000000, 0.0003958400000000, 0.0037590200000000 ] - [ 0.0024240800000000, 0.0004076300000000, 0.0066293700000000 ] - [ 0.0029602200000000, -0.0000941800000000, -0.0193113000000000 ] - [ -0.0002365400000000, 0.0004454400000000, 0.0015826600000000 ] - [ 0.0000795400000000, -0.0010792200000000, 0.0015267400000000 ] - [ -0.0027980700000000, 0.0010430400000000, 0.0008336900000000 ] - [ -0.0301790100000000, -0.1453938900000000, 0.2728947100000000 ] - [ 0.0000741600000000, 0.0021338800000000, 0.0022444000000000 ] - [ -0.0024569700000000, -0.0038060900000000, -0.0088249300000000 ] - [ -0.0013526000000000, 0.0025646700000000, -0.0018939700000000 ] - [ 0.0019644400000000, 0.0000605500000000, -0.0051566700000000 ] - [ 0.0007617600000000, 0.0004759800000000, -0.0024827800000000 ] - [ 0.0003813500000000, -0.0015963400000000, 0.0020393600000000 ] - [ -0.0004770700000000, 0.0005526200000000, 0.0005378900000000 ] - [ 0.0006212600000000, 0.0031671200000000, 0.0044562200000000 ] - [ 0.0002553200000000, -0.0007926400000000, -0.0003413400000000 ] - [ 0.0010777600000000, -0.0129023000000000, -0.0039118400000000 ] - [ -0.0001733400000000, -0.0013086600000000, -0.0028904100000000 ] - [ 0.0002775700000000, -0.0007636500000000, 0.0007171500000000 ] - [ 0.0000901200000000, 0.0005700100000000, 0.0005236900000000 ] - [ 0.0017316000000000, 0.0008533400000000, 0.0024080200000000 ] - [ 0.0003558800000000, -0.0005192000000000, 0.0007213500000000 ] - [ 0.0003429600000000, -0.0002827400000000, -0.0026684100000000 ] - [ -0.0000467800000000, -0.0009008800000000, -0.0020094400000000 ] - [ -0.0004309700000000, -0.0013119100000000, -0.0001081200000000 ] - [ -0.0001401400000000, 0.0009655900000000, 0.0006630000000000 ] - [ 0.0420688700000000, 0.1946900500000000, -0.3348012700000000 ] - [ -0.0000394300000000, 0.0000780000000000, -0.0022003000000000 ] - [ -0.0055120500000000, 0.0002107600000000, 0.0038601000000000 ] - [ -0.0004670800000000, -0.0002099800000000, -0.0001423800000000 ] - [ 0.0004342000000000, 0.0028161900000000, 0.0032066600000000 ] - [ 0.0003580600000000, -0.0032279100000000, 0.0024425700000000 ] - [ 0.0004395000000000, 0.0010804500000000, 0.0076380400000000 ] - [ 0.0005771400000000, -0.0003339300000000, 0.0004165000000000 ] - [ 0.0002677300000000, -0.0004278500000000, -0.0009215000000000 ] - [ -0.0001193300000000, 0.0013125800000000, -0.0025657100000000 ] - [ -0.0003109600000000, 0.0001135400000000, 0.0014653000000000 ] - [ -0.0000083600000000, -0.0001736000000000, 0.0005685100000000 ] - [ 0.0004511100000000, -0.0036590400000000, 0.0052820400000000 ] - [ 0.0005006600000000, -0.0001592400000000, 0.0003803400000000 ] - [ -0.0007136300000000, -0.0004431200000000, 0.0013458000000000 ] - [ -0.0009300100000000, -0.0005234700000000, 0.0020549100000000 ] - [ 0.0002119700000000, 0.0012022300000000, 0.0022635000000000 ] - [ 0.0002415400000000, 0.0009087500000000, 0.0022731700000000 ] - [ -0.0005680800000000, 0.0004010100000000, 0.0020686600000000 ] - [ -0.0002868800000000, 0.0000411900000000, 0.0005502600000000 ] - [ -0.0007048000000000, 0.0005297300000000, -0.0015185500000000 ] - [ -0.0037737800000000, -0.0018685600000000, -0.0023298700000000 ] - [ -0.0007956200000000, 0.0016210100000000, -0.0007501000000000 ] - [ 0.0001899100000000, -0.0005444600000000, -0.0002528100000000 ] - [ 0.0007270000000000, -0.0002304900000000, 0.0012960500000000 ] - [ 0.0006226400000000, -0.0004661200000000, 0.0008978900000000 ] - [ 0.0004364000000000, 0.0006056700000000, -0.0009505600000000 ] - [ 0.0036502300000000, -0.0011125700000000, 0.0003941700000000 ] - [ 0.0006143200000000, -0.0004704700000000, 0.0016404800000000 ] - [ 0.0006866800000000, 0.0000799800000000, 0.0016299200000000 ] - [ -0.0005121800000000, 0.0001009800000000, 0.0001752600000000 ] - [ -0.0002631200000000, -0.0002993800000000, 0.0006771700000000 ] - [ -0.0009424200000000, -0.0004496100000000, 0.0014923000000000 ] - [ -0.0007962800000000, 0.0000572500000000, 0.0012185100000000 ] - [ 0.0124487600000000, -0.0126077300000000, 0.0186484200000000 ] - [ -0.0005271200000000, -0.0007012800000000, -0.0013860100000000 ] - [ -0.0012171900000000, 0.0004105200000000, 0.0046461800000000 ] - [ -0.0003591100000000, -0.0005376400000000, 0.0022181800000000 ] - [ -0.0204767200000000, -0.0091609900000000, 0.0393099200000000 ] - [ 0.0009787100000000, -0.0008453300000000, -0.0008570800000000 ] - [ 0.0001272200000000, -0.0000384700000000, -0.0020785000000000 ] - [ 0.0001224700000000, -0.0000580100000000, -0.0025237700000000 ]- atom: 55 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ -0.0003938200000000, 0.0005045700000000, 0.0001549000000000 ] - [ -0.0005651200000000, -0.0005313400000000, 0.0005866200000000 ] - [ 0.0009817700000000, 0.0010380100000000, -0.0030540000000000 ] - [ -0.0000141900000000, -0.0006348400000000, -0.0005909900000000 ] - [ -0.0011742800000000, -0.0015211100000000, -0.0003869400000000 ] - [ -0.0007422700000000, 0.0016690700000000, -0.0008639900000000 ] - [ -0.0036254500000000, 0.0011529500000000, 0.0002823500000000 ] - [ -0.0002539300000000, -0.0006228700000000, 0.0000194400000000 ] - [ 0.0003548400000000, 0.0002437300000000, 0.0026395800000000 ] - [ -0.0000489500000000, -0.0000538800000000, 0.0007830600000000 ] - [ 0.0004308800000000, 0.0004706800000000, 0.0007009400000000 ] - [ 0.0005908600000000, -0.0006094900000000, 0.0013423200000000 ] - [ -0.0001292900000000, 0.0001229600000000, 0.0016675800000000 ] - [ 0.0000163800000000, -0.0000490000000000, 0.0007010400000000 ] - [ 0.0007226200000000, -0.0024721900000000, 0.0005110800000000 ] - [ 0.0008080400000000, 0.0024018800000000, -0.0002860400000000 ] - [ 0.0009775500000000, 0.0009024900000000, 0.0018274800000000 ] - [ 0.0004366100000000, 0.0000064900000000, 0.0010953300000000 ] - [ 0.0038700700000000, 0.0009827600000000, -0.0016811500000000 ] - [ 0.0003174700000000, -0.0009224200000000, -0.0012553900000000 ] - [ 0.0007383300000000, 0.0037644100000000, -0.0047464200000000 ] - [ 0.0006276800000000, 0.0062215600000000, -0.0063010100000000 ] - [ -0.0005235000000000, -0.0013868500000000, 0.0028654400000000 ] - [ -0.0005085700000000, 0.0008336900000000, 0.0026676700000000 ] - [ -0.0001781500000000, -0.0003542200000000, 0.0030152300000000 ] - [ -0.0000227000000000, -0.0000782800000000, 0.0029820700000000 ] - [ 0.0004211800000000, -0.0020472300000000, 0.0020610800000000 ] - [ 0.0002218700000000, 0.0016709000000000, 0.0013764400000000 ] - [ -0.0004618800000000, -0.0003278600000000, -0.0032766000000000 ] - [ -0.0026891200000000, -0.0003372600000000, -0.0061508100000000 ] - [ -0.0038307000000000, 0.0000746200000000, 0.0199126000000000 ] - [ -0.0006142900000000, -0.0004796600000000, -0.0008406600000000 ] - [ 0.0007625700000000, 0.0011068800000000, -0.0022609900000000 ] - [ 0.0036429800000000, -0.0010093400000000, -0.0015703300000000 ] - [ 0.0298843800000000, 0.1350785100000000, -0.2605167300000000 ] - [ 0.0001972300000000, -0.0021863700000000, -0.0027130700000000 ] - [ 0.0016155100000000, 0.0038441200000000, 0.0095787800000000 ] - [ 0.0005065300000000, -0.0025395800000000, 0.0026216000000000 ] - [ -0.0016983700000000, 0.0000049300000000, 0.0046793600000000 ] - [ -0.0004937200000000, -0.0004086000000000, 0.0020042200000000 ] - [ -0.0014440700000000, 0.0016347200000000, -0.0012699200000000 ] - [ -0.0005875500000000, -0.0005051600000000, 0.0002265100000000 ] - [ 0.0004504200000000, -0.0031004700000000, -0.0051880900000000 ] - [ 0.0008085200000000, 0.0008349100000000, -0.0004302400000000 ] - [ -0.0021194500000000, 0.0129514400000000, 0.0039885200000000 ] - [ -0.0009301000000000, 0.0012658200000000, 0.0031453100000000 ] - [ 0.0001757000000000, 0.0006572500000000, -0.0010157500000000 ] - [ 0.0003602500000000, -0.0006692500000000, -0.0008223700000000 ] - [ -0.0021966700000000, -0.0007525900000000, -0.0021117600000000 ] - [ -0.0008107700000000, 0.0006232200000000, -0.0004203400000000 ] - [ 0.0007610000000000, 0.0002995300000000, 0.0024077700000000 ] - [ 0.0011510300000000, 0.0009186000000000, 0.0017535100000000 ] - [ -0.0006577400000000, 0.0003771800000000, -0.0008229600000000 ] - [ -0.0009483600000000, -0.0018931800000000, -0.0015921600000000 ] - [ -0.0415768800000000, -0.1833581700000000, 0.3197206400000000 ] - [ -0.0002791900000000, 0.0009341200000000, 0.0007102300000000 ] - [ 0.0049960100000000, -0.0003132400000000, -0.0035199500000000 ] - [ 0.0000151600000000, 0.0001077800000000, 0.0004391900000000 ] - [ 0.0006329300000000, -0.0028812000000000, -0.0039945700000000 ] - [ 0.0007069400000000, 0.0031847300000000, -0.0032139700000000 ] - [ 0.0006564100000000, -0.0001313400000000, -0.0067588100000000 ] - [ 0.0005093600000000, 0.0012682900000000, 0.0005174300000000 ] - [ 0.0000486000000000, -0.0005849200000000, 0.0024142600000000 ] - [ 0.0004295600000000, -0.0023252200000000, 0.0040578300000000 ] - [ 0.0000925900000000, 0.0000195500000000, -0.0020324800000000 ] - [ -0.0002131000000000, 0.0003067300000000, -0.0011360800000000 ] - [ 0.0006524000000000, 0.0026921700000000, -0.0043247900000000 ] - [ 0.0005869800000000, -0.0007685700000000, 0.0005442900000000 ] - [ -0.0003897500000000, 0.0004604100000000, -0.0010871100000000 ] - [ -0.0001725900000000, 0.0005425900000000, -0.0017971900000000 ] - [ 0.0001051400000000, -0.0001902200000000, -0.0007672600000000 ] - [ 0.0000752600000000, 0.0001064200000000, -0.0007742100000000 ] - [ 0.0002519200000000, -0.0014147600000000, -0.0035614000000000 ] - [ -0.0000296700000000, -0.0010525800000000, -0.0020434000000000 ] - [ 0.0009216900000000, -0.0003968200000000, 0.0020895600000000 ] - [ 0.0039944500000000, 0.0019997900000000, 0.0029079500000000 ] - [ -0.0002857400000000, -0.0006875100000000, -0.0001725200000000 ] - [ -0.0012757300000000, 0.0014743500000000, -0.0006724300000000 ] - [ 0.0003765700000000, 0.0002140700000000, -0.0015507000000000 ] - [ 0.0004812700000000, 0.0004456400000000, -0.0011521900000000 ] - [ 0.0000224300000000, -0.0005001200000000, 0.0006587100000000 ] - [ -0.0031983900000000, 0.0012130600000000, -0.0006839300000000 ] - [ -0.0003920000000000, 0.0003359400000000, -0.0010705300000000 ] - [ -0.0004631300000000, -0.0002111700000000, -0.0010596200000000 ] - [ -0.0005483500000000, -0.0001413100000000, 0.0005961000000000 ] - [ -0.0007960100000000, 0.0002565600000000, 0.0000953500000000 ] - [ 0.0003542000000000, 0.0002990300000000, -0.0022429500000000 ] - [ 0.0002085000000000, -0.0002053700000000, -0.0019705300000000 ] - [ -0.0124116600000000, 0.0122531900000000, -0.0189556100000000 ] - [ 0.0003002600000000, 0.0005651900000000, 0.0008117200000000 ] - [ 0.0018046300000000, -0.0002624300000000, -0.0038958900000000 ] - [ 0.0009458700000000, 0.0006882300000000, -0.0014645400000000 ] - [ 0.0205012400000000, 0.0088032600000000, -0.0377915900000000 ] - [ -0.0003863600000000, 0.0006950500000000, 0.0016006600000000 ] - [ -0.0007139500000000, 0.0001889000000000, 0.0013267800000000 ] - [ -0.0007070800000000, 0.0002051100000000, 0.0017744500000000 ]- atom: 65 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ 0.0029242300000000, 0.0010583200000000, -0.0001447700000000 ] - [ 0.0035007300000000, -0.0007245900000000, 0.0006319700000000 ] - [ -0.0010468000000000, -0.0000282400000000, -0.0005740900000000 ] - [ -0.0003527300000000, -0.0000534100000000, -0.0001359100000000 ] - [ -0.0001026500000000, -0.0000672600000000, -0.0004647100000000 ] - [ -0.0000977900000000, 0.0001196600000000, -0.0005326900000000 ] - [ 0.0021213900000000, 0.0000006800000000, -0.0006966200000000 ] - [ 0.0003114700000000, 0.0000057500000000, 0.0002937300000000 ] - [ 0.0006903800000000, 0.0001469200000000, 0.0018510900000000 ] - [ 0.0002043400000000, 0.0001039000000000, 0.0005932200000000 ] - [ -0.0016055100000000, -0.0012427500000000, 0.0002566700000000 ] - [ -0.0022050800000000, 0.0010951200000000, 0.0004996900000000 ] - [ -0.0024253400000000, 0.0000821100000000, -0.0016687400000000 ] - [ -0.0004618000000000, 0.0001549800000000, 0.0001193800000000 ] - [ 0.0002255300000000, -0.0000414500000000, -0.0003548700000000 ] - [ 0.0002510800000000, 0.0000814300000000, -0.0003920700000000 ] - [ 0.0179412400000000, -0.0011608000000000, 0.0011589300000000 ] - [ 0.0001649000000000, 0.0003702600000000, 0.0000242800000000 ] - [ 0.0000771100000000, -0.0003887200000000, -0.0007511000000000 ] - [ 0.0002358100000000, -0.0003285400000000, -0.0005099600000000 ] - [ -0.0005777900000000, -0.0004527700000000, 0.0007126700000000 ] - [ -0.0006910100000000, 0.0013002500000000, 0.0010778400000000 ] - [ 0.0011693600000000, -0.0033178000000000, -0.0010234700000000 ] - [ 0.0018881600000000, 0.0022694500000000, -0.0030636200000000 ] - [ -0.0014881900000000, 0.0025873800000000, 0.0059184400000000 ] - [ -0.0005202700000000, -0.0057501900000000, 0.0042383400000000 ] - [ -0.0010630800000000, -0.0003268200000000, 0.0004168100000000 ] - [ -0.0017312500000000, 0.0003416200000000, 0.0005872300000000 ] - [ 0.0008273300000000, 0.0000827000000000, -0.0008466900000000 ] - [ 0.0010631800000000, -0.0003051100000000, -0.0008425600000000 ] - [ -0.0005105500000000, -0.0000776100000000, -0.0013448000000000 ] - [ -0.0007735600000000, 0.0002706600000000, -0.0002396400000000 ] - [ -0.0018939600000000, 0.0038282600000000, -0.0024873900000000 ] - [ -0.0023205000000000, -0.0046012700000000, -0.0035567200000000 ] - [ 0.0005374400000000, -0.0003422100000000, -0.0004582600000000 ] - [ 0.0003912900000000, 0.0000383000000000, -0.0005532800000000 ] - [ -0.0119911300000000, 0.0000985200000000, 0.0247254600000000 ] - [ -0.0011984800000000, 0.0002769400000000, 0.0009778000000000 ] - [ 0.2169766200000000, -0.0312854400000000, 0.1453251200000000 ] - [ 0.0010763600000000, 0.0001303900000000, 0.0013327500000000 ] - [ -0.0001406700000000, 0.0002080900000000, 0.0003204600000000 ] - [ -0.0001056100000000, -0.0001780200000000, 0.0002715700000000 ] - [ 0.0002248200000000, 0.0001879800000000, 0.0005734100000000 ] - [ 0.0004219300000000, 0.0002575700000000, -0.0000181500000000 ] - [ -0.0005535400000000, 0.0001757600000000, 0.0002371800000000 ] - [ -0.0005225400000000, -0.0001027800000000, 0.0001354000000000 ] - [ 0.0013382900000000, 0.0003539800000000, 0.0001062100000000 ] - [ 0.0017788600000000, -0.0004867000000000, 0.0004607200000000 ] - [ 0.0125202900000000, 0.0001907900000000, -0.0018100500000000 ] - [ 0.0004648300000000, -0.0000055300000000, 0.0000149700000000 ] - [ 0.0003932500000000, 0.0000738100000000, 0.0004362600000000 ] - [ 0.0003486500000000, 0.0002592900000000, 0.0002446000000000 ] - [ -0.0001944600000000, -0.0003252700000000, -0.0005901400000000 ] - [ 0.0000670200000000, -0.0005511700000000, -0.0005865500000000 ] - [ -0.0001554600000000, 0.0005106100000000, -0.0009461200000000 ] - [ -0.0001590500000000, 0.0005465400000000, -0.0006360700000000 ] - [ 0.0000321000000000, -0.0000273100000000, 0.0008061300000000 ] - [ 0.0000022000000000, -0.0001152400000000, 0.0003714400000000 ] - [ 0.0014418900000000, 0.0025338300000000, -0.0051731100000000 ] - [ 0.0004998100000000, -0.0003230900000000, -0.0005798900000000 ] - [ 0.0034239100000000, -0.0019281900000000, -0.0053193100000000 ] - [ 0.0004522100000000, 0.0004802100000000, 0.0002957700000000 ] - [ 0.0000135800000000, -0.0007040600000000, 0.0012377000000000 ] - [ -0.0000184100000000, -0.0007005900000000, 0.0013029200000000 ] - [ -0.2926835600000000, 0.0416515100000000, -0.1893402100000000 ] - [ -0.0010445900000000, 0.0000753900000000, -0.0010672600000000 ] - [ 0.0002812500000000, -0.0003463000000000, 0.0013050600000000 ] - [ 0.0004729400000000, -0.0010599900000000, 0.0010917000000000 ] - [ -0.0010337700000000, 0.0005445900000000, -0.0005278000000000 ] - [ 0.0041377300000000, -0.0131270300000000, 0.0163341700000000 ] - [ 0.0024329700000000, -0.0042989900000000, -0.0026783000000000 ] - [ 0.0006484100000000, 0.0020487500000000, 0.0000323400000000 ] - [ -0.0026341900000000, 0.0015126200000000, 0.0115667300000000 ] - [ -0.0004597900000000, -0.0013165600000000, -0.0012656200000000 ] - [ -0.0005030400000000, 0.0000095800000000, 0.0005077300000000 ] - [ -0.0005024100000000, 0.0001692000000000, 0.0004810100000000 ] - [ 0.0007057500000000, -0.0031745800000000, 0.0029777100000000 ] - [ -0.0003989400000000, 0.0019013300000000, -0.0001667300000000 ] - [ 0.0038221600000000, 0.0039891900000000, -0.0039789100000000 ] - [ 0.0009609300000000, -0.0012534000000000, -0.0011409600000000 ] - [ 0.0020509400000000, -0.0005189200000000, 0.0002482500000000 ] - [ 0.0025741500000000, 0.0007969200000000, 0.0004149600000000 ] - [ -0.0008500500000000, -0.0004073400000000, -0.0013722100000000 ] - [ -0.0016020200000000, 0.0009531500000000, -0.0011355400000000 ] - [ -0.0003379000000000, -0.0011089300000000, 0.0006078200000000 ] - [ 0.0016408700000000, 0.0047336800000000, 0.0052734500000000 ] - [ 0.0012948400000000, 0.0001210300000000, -0.0020226900000000 ] - [ 0.0014365000000000, 0.0009538900000000, -0.0020377600000000 ] - [ -0.0003632400000000, -0.0000051700000000, -0.0002497400000000 ] - [ -0.0002447000000000, -0.0000868900000000, -0.0001876200000000 ] - [ 0.0397092500000000, 0.0028690500000000, 0.0007668000000000 ] - [ 0.0004348100000000, -0.0001310900000000, -0.0001887100000000 ] - [ 0.0000919000000000, -0.0000216000000000, 0.0011042300000000 ] - [ 0.0002194900000000, -0.0001394200000000, 0.0008422400000000 ] - [ -0.0005811100000000, -0.0004558000000000, 0.0010312000000000 ] - [ -0.0007699300000000, 0.0008429900000000, 0.0015198300000000 ]- atom: 65 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ -0.0027959200000000, -0.0011229700000000, -0.0005311900000000 ] - [ -0.0033706600000000, 0.0006996100000000, -0.0013026600000000 ] - [ 0.0009056900000000, -0.0000541300000000, 0.0007447600000000 ] - [ 0.0002136200000000, -0.0000278200000000, 0.0003195800000000 ] - [ 0.0002386900000000, 0.0001479200000000, 0.0002748900000000 ] - [ 0.0002341700000000, -0.0000371400000000, 0.0003436900000000 ] - [ -0.0022187600000000, -0.0000543600000000, 0.0014035500000000 ] - [ -0.0004215600000000, -0.0000545400000000, 0.0004002700000000 ] - [ -0.0007876200000000, -0.0000954400000000, -0.0011562700000000 ] - [ -0.0003142700000000, -0.0000541700000000, 0.0000993900000000 ] - [ 0.0017330700000000, 0.0011785700000000, -0.0004413200000000 ] - [ 0.0023270400000000, -0.0011880800000000, -0.0006789100000000 ] - [ 0.0022665000000000, -0.0000011700000000, 0.0018626400000000 ] - [ 0.0003201200000000, -0.0000725400000000, 0.0000665000000000 ] - [ -0.0001115700000000, 0.0000904000000000, -0.0003379100000000 ] - [ -0.0001374500000000, -0.0000311000000000, -0.0003003800000000 ] - [ -0.0159537700000000, 0.0017871800000000, -0.0010669300000000 ] - [ 0.0004018500000000, 0.0004056400000000, -0.0002267100000000 ] - [ 0.0004802500000000, -0.0003850700000000, 0.0005415600000000 ] - [ 0.0003233300000000, -0.0004447600000000, 0.0003020600000000 ] - [ 0.0000113800000000, 0.0012300600000000, -0.0005115300000000 ] - [ 0.0001233300000000, -0.0005292900000000, -0.0008736900000000 ] - [ -0.0017214100000000, 0.0024989000000000, 0.0012012900000000 ] - [ -0.0024360900000000, -0.0030180400000000, 0.0032416300000000 ] - [ 0.0012274600000000, -0.0026304600000000, -0.0053892400000000 ] - [ 0.0002653400000000, 0.0056275000000000, -0.0037296900000000 ] - [ 0.0018931900000000, 0.0002946400000000, -0.0011310000000000 ] - [ 0.0025633300000000, -0.0003710300000000, -0.0013058500000000 ] - [ -0.0010851000000000, -0.0000183600000000, 0.0013133000000000 ] - [ -0.0013178900000000, 0.0003678300000000, 0.0013123000000000 ] - [ -0.0003398000000000, 0.0000497700000000, 0.0020484200000000 ] - [ -0.0000780700000000, -0.0003036600000000, 0.0009586900000000 ] - [ 0.0027380600000000, -0.0037563900000000, 0.0017435200000000 ] - [ 0.0031635100000000, 0.0045942300000000, 0.0028099800000000 ] - [ -0.0002664400000000, 0.0002747500000000, -0.0000295900000000 ] - [ -0.0001224500000000, -0.0001046400000000, 0.0000712500000000 ] - [ 0.0110367400000000, -0.0000965300000000, -0.0241597300000000 ] - [ 0.0003380600000000, -0.0002398800000000, -0.0002431600000000 ] - [ -0.2252372600000000, 0.0334400000000000, -0.1556536100000000 ] - [ -0.0008116800000000, -0.0000710800000000, -0.0018018200000000 ] - [ -0.0009184700000000, -0.0001639400000000, 0.0004461000000000 ] - [ -0.0009538600000000, 0.0002199300000000, 0.0004954400000000 ] - [ 0.0008353900000000, -0.0001460300000000, -0.0013298300000000 ] - [ 0.0006394700000000, -0.0002087400000000, -0.0007417800000000 ] - [ -0.0005507400000000, -0.0001923400000000, 0.0000241300000000 ] - [ -0.0005818000000000, 0.0000844500000000, 0.0001235600000000 ] - [ -0.0008691700000000, -0.0004524300000000, -0.0004022200000000 ] - [ -0.0013147200000000, 0.0003807800000000, -0.0007554300000000 ] - [ -0.0129127300000000, -0.0000786200000000, 0.0021689300000000 ] - [ -0.0009104700000000, 0.0001064200000000, 0.0002837500000000 ] - [ 0.0007076100000000, -0.0000537800000000, -0.0006883600000000 ] - [ 0.0007535000000000, -0.0002388500000000, -0.0004981500000000 ] - [ -0.0008883000000000, -0.0006044600000000, -0.0003397900000000 ] - [ -0.0011498900000000, -0.0003808600000000, -0.0003435300000000 ] - [ -0.0001606500000000, 0.0005019400000000, -0.0005437000000000 ] - [ -0.0001582400000000, 0.0004643700000000, -0.0008560800000000 ] - [ -0.0004818400000000, -0.0000763600000000, -0.0004995300000000 ] - [ -0.0004533100000000, 0.0000124100000000, -0.0000697000000000 ] - [ -0.0003374700000000, -0.0025922700000000, 0.0044257400000000 ] - [ 0.0005683300000000, 0.0002775300000000, -0.0001920300000000 ] - [ -0.0022935100000000, 0.0028955800000000, 0.0062736200000000 ] - [ 0.0006389400000000, 0.0004480700000000, 0.0006305100000000 ] - [ 0.0003023400000000, -0.0003102300000000, 0.0002620000000000 ] - [ 0.0003338800000000, -0.0003137100000000, 0.0001962100000000 ] - [ 0.3000912400000000, -0.0434546300000000, 0.1985340800000000 ] - [ 0.0008169500000000, 0.0000574600000000, 0.0004966700000000 ] - [ 0.0008026600000000, -0.0005863900000000, -0.0003636500000000 ] - [ 0.0006129200000000, 0.0001269500000000, -0.0001589800000000 ] - [ -0.0000658800000000, -0.0005157900000000, 0.0007804400000000 ] - [ -0.0051080500000000, 0.0132288000000000, -0.0162080900000000 ] - [ -0.0021184400000000, 0.0052643100000000, 0.0041379100000000 ] - [ -0.0003360400000000, -0.0010203500000000, 0.0014607100000000 ] - [ 0.0025525200000000, -0.0024608600000000, -0.0129516900000000 ] - [ 0.0001413700000000, 0.0003011400000000, -0.0002297600000000 ] - [ 0.0007207400000000, 0.0001230400000000, 0.0000612900000000 ] - [ 0.0007213200000000, -0.0000357800000000, 0.0000869700000000 ] - [ -0.0017978600000000, 0.0040696500000000, -0.0038761900000000 ] - [ -0.0006933900000000, -0.0009565800000000, -0.0007639500000000 ] - [ -0.0027047600000000, -0.0039639800000000, 0.0036781100000000 ] - [ 0.0001431200000000, 0.0012226900000000, 0.0008749000000000 ] - [ -0.0015899500000000, 0.0006118000000000, -0.0005409800000000 ] - [ -0.0021122300000000, -0.0006837500000000, -0.0007083500000000 ] - [ 0.0010512800000000, 0.0002754900000000, 0.0019243600000000 ] - [ 0.0018029100000000, -0.0010781000000000, 0.0016923600000000 ] - [ -0.0007306600000000, 0.0010531700000000, 0.0001569800000000 ] - [ -0.0027053500000000, -0.0047300200000000, -0.0044647400000000 ] - [ -0.0018730100000000, -0.0002716100000000, 0.0012530500000000 ] - [ -0.0020115100000000, -0.0010924300000000, 0.0012728700000000 ] - [ 0.0001399000000000, -0.0001275900000000, -0.0003155700000000 ] - [ 0.0000212100000000, -0.0000462500000000, -0.0003796500000000 ] - [ -0.0400703800000000, -0.0028692900000000, -0.0001896400000000 ] - [ 0.0001577900000000, 0.0002793700000000, 0.0009327800000000 ] - [ 0.0004896500000000, -0.0001271300000000, -0.0003400100000000 ] - [ 0.0003640400000000, -0.0000081500000000, -0.0000844800000000 ] - [ -0.0000113800000000, 0.0005998100000000, -0.0017697200000000 ] - [ 0.0001780000000000, -0.0006882600000000, -0.0022559800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001115000000000, -0.0015910400000000, 0.0003988700000000 ] - [ -0.0005422800000000, -0.0014277800000000, -0.0026149800000000 ] - [ -0.0000495100000000, 0.0004494200000000, 0.0002594600000000 ] - [ -0.0000535300000000, -0.0004380600000000, 0.0001070500000000 ] - [ 0.0001111900000000, -0.0000261500000000, -0.0000692900000000 ] - [ 0.0000187100000000, 0.0001002400000000, 0.0000823300000000 ] - [ -0.0000723700000000, 0.0014674400000000, 0.0007779100000000 ] - [ -0.0000976900000000, -0.0007436500000000, 0.0003498600000000 ] - [ 0.0002525900000000, 0.0009161600000000, 0.0001511700000000 ] - [ -0.0001473300000000, -0.0005946900000000, 0.0003289400000000 ] - [ -0.0000800000000000, -0.0004759000000000, -0.0000616600000000 ] - [ 0.0011325700000000, -0.0001507600000000, -0.0009512400000000 ] - [ -0.0000219900000000, 0.0013725200000000, 0.0003495800000000 ] - [ 0.0000521000000000, -0.0005973200000000, 0.0001009900000000 ] - [ 0.0000325100000000, -0.0000470800000000, -0.0004338400000000 ] - [ 0.0000849300000000, 0.0000899900000000, -0.0001208200000000 ] - [ -0.0009015300000000, 0.0050877800000000, -0.0003670700000000 ] - [ 0.0001914800000000, -0.0016239900000000, -0.0002443900000000 ] - [ 0.0002637100000000, 0.0002041900000000, 0.0001157700000000 ] - [ 0.0003077300000000, -0.0009897200000000, 0.0000296700000000 ] - [ -0.0004710500000000, -0.0001796800000000, 0.0008513400000000 ] - [ -0.0001105100000000, 0.0005111800000000, -0.0005608600000000 ] - [ -0.0006497200000000, -0.0023652500000000, -0.0018471400000000 ] - [ -0.0014455300000000, -0.0023820800000000, 0.0047373400000000 ] - [ 0.0010914900000000, -0.0024503200000000, -0.0022285400000000 ] - [ -0.0018006200000000, 0.0005182700000000, 0.0009198900000000 ] - [ 0.0002989500000000, -0.0001002700000000, -0.0013514400000000 ] - [ 0.0015466900000000, 0.0000448800000000, 0.0008843700000000 ] - [ -0.0000934200000000, 0.0002560400000000, 0.0012364600000000 ] - [ -0.0001480800000000, -0.0002493700000000, -0.0002888600000000 ] - [ -0.0004103700000000, 0.0014145000000000, 0.0001535500000000 ] - [ -0.0003287100000000, -0.0012489500000000, 0.0005269000000000 ] - [ 0.0012448200000000, -0.0016007700000000, 0.0009152400000000 ] - [ -0.0002282600000000, -0.0006403000000000, -0.0015329500000000 ] - [ 0.0001488500000000, 0.0004462800000000, -0.0001410200000000 ] - [ 0.0000364300000000, -0.0004788000000000, 0.0000476900000000 ] - [ -0.0009049300000000, 0.0064095700000000, 0.0034848800000000 ] - [ -0.0002710200000000, -0.0024169300000000, 0.0000745300000000 ] - [ -0.0314267600000000, 0.0687329100000000, -0.0281942100000000 ] - [ 0.0002519900000000, -0.0036880700000000, -0.0007432500000000 ] - [ -0.0004906500000000, -0.0002873700000000, 0.0006597200000000 ] - [ -0.0008453600000000, 0.0005087200000000, -0.0000641100000000 ] - [ 0.0004671200000000, -0.0010889600000000, -0.0008560800000000 ] - [ 0.0005905000000000, 0.0007280900000000, -0.0000887600000000 ] - [ -0.0005729300000000, -0.0003016100000000, -0.0000293500000000 ] - [ -0.0005240600000000, 0.0002552800000000, 0.0001428400000000 ] - [ 0.0004391900000000, 0.0000730300000000, 0.0002020400000000 ] - [ -0.0007336400000000, 0.0001384100000000, -0.0011845600000000 ] - [ -0.0004244500000000, -0.0010635900000000, -0.0008745900000000 ] - [ -0.0003041500000000, 0.0007953100000000, 0.0002278100000000 ] - [ 0.0005353700000000, -0.0003129900000000, -0.0004833000000000 ] - [ 0.0005598600000000, 0.0003372000000000, 0.0000087100000000 ] - [ -0.0004979300000000, -0.0000542000000000, -0.0001548100000000 ] - [ -0.0007906300000000, -0.0010480800000000, -0.0009163900000000 ] - [ -0.0001653900000000, 0.0001380000000000, -0.0007000800000000 ] - [ -0.0001289000000000, 0.0009177200000000, -0.0009867400000000 ] - [ -0.0001527800000000, -0.0004519900000000, 0.0001764300000000 ] - [ -0.0002778200000000, 0.0003050500000000, 0.0000727200000000 ] - [ 0.0025765600000000, -0.0013665800000000, -0.0014689600000000 ] - [ -0.0001272800000000, 0.0012933500000000, -0.0001469200000000 ] - [ -0.0023015100000000, -0.0025630300000000, 0.0014149600000000 ] - [ 0.0011147600000000, 0.0019910900000000, 0.0005711400000000 ] - [ 0.0001434800000000, -0.0002578000000000, 0.0003268400000000 ] - [ 0.0001659800000000, -0.0006656800000000, 0.0009022300000000 ] - [ 0.0419248100000000, -0.0637070500000000, 0.0321353600000000 ] - [ -0.0001048100000000, 0.0018784000000000, -0.0001974000000000 ] - [ 0.0005403200000000, -0.0010115300000000, 0.0010675000000000 ] - [ 0.0005236400000000, 0.0005171600000000, -0.0002597700000000 ] - [ -0.0003807900000000, 0.0024739200000000, 0.0004936900000000 ] - [ -0.0249946400000000, 0.0097368700000000, -0.0237353300000000 ] - [ -0.0019676500000000, 0.0021771900000000, 0.0021524700000000 ] - [ 0.0009685800000000, 0.0010626400000000, 0.0004881700000000 ] - [ 0.0086160200000000, -0.0104403200000000, 0.0146066900000000 ] - [ -0.0002075900000000, 0.0015551800000000, -0.0001068100000000 ] - [ 0.0000107500000000, 0.0001091100000000, -0.0003771800000000 ] - [ 0.0001657500000000, 0.0001087000000000, 0.0007551200000000 ] - [ -0.0018391600000000, 0.0012392800000000, -0.0019315900000000 ] - [ -0.0000033500000000, 0.0009216400000000, 0.0000500700000000 ] - [ 0.0014960200000000, -0.0013530800000000, -0.0000102800000000 ] - [ 0.0003250800000000, 0.0014262000000000, 0.0000452600000000 ] - [ -0.0003182000000000, 0.0004647100000000, -0.0004754400000000 ] - [ 0.0006761400000000, 0.0001392200000000, 0.0001819700000000 ] - [ -0.0002364600000000, 0.0005802700000000, 0.0010653100000000 ] - [ 0.0011281300000000, -0.0000519800000000, -0.0001899500000000 ] - [ -0.0010444600000000, 0.0009561300000000, 0.0000582200000000 ] - [ 0.0010661700000000, -0.0002933600000000, 0.0018054700000000 ] - [ -0.0009068100000000, 0.0000334100000000, 0.0006669300000000 ] - [ -0.0001853200000000, -0.0000372700000000, -0.0010007400000000 ] - [ -0.0001727700000000, -0.0002709400000000, -0.0003459100000000 ] - [ -0.0000907700000000, 0.0001236100000000, -0.0003694800000000 ] - [ 0.0095104600000000, -0.0093354700000000, 0.0015080200000000 ] - [ 0.0004630000000000, 0.0011787000000000, 0.0004998000000000 ] - [ 0.0003610500000000, -0.0003643900000000, 0.0002722100000000 ] - [ 0.0003060700000000, 0.0001987600000000, 0.0001820900000000 ] - [ -0.0001228600000000, 0.0002883300000000, -0.0011319300000000 ] - [ -0.0004617300000000, 0.0001621200000000, 0.0002144900000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002176200000000, 0.0014188100000000, -0.0010506000000000 ] - [ 0.0006432300000000, 0.0015229300000000, 0.0019613100000000 ] - [ -0.0000916400000000, -0.0005319000000000, -0.0000737100000000 ] - [ -0.0000854200000000, 0.0003571300000000, 0.0000764300000000 ] - [ 0.0000255500000000, 0.0001063300000000, -0.0001191400000000 ] - [ 0.0001183000000000, -0.0000172100000000, -0.0002690900000000 ] - [ -0.0000339800000000, -0.0015213300000000, -0.0000893300000000 ] - [ -0.0000136200000000, 0.0006952200000000, 0.0003369700000000 ] - [ -0.0003569100000000, -0.0008656900000000, 0.0005377100000000 ] - [ 0.0000352700000000, 0.0006442900000000, 0.0003643800000000 ] - [ 0.0002163300000000, 0.0003838900000000, -0.0001197300000000 ] - [ -0.0009970200000000, 0.0000775000000000, 0.0007670700000000 ] - [ -0.0001289000000000, -0.0012837800000000, -0.0001733600000000 ] - [ -0.0001895400000000, 0.0006782200000000, 0.0000867000000000 ] - [ 0.0000804000000000, 0.0000954100000000, -0.0002587900000000 ] - [ 0.0000276200000000, -0.0000389200000000, -0.0005713300000000 ] - [ 0.0013549000000000, -0.0042942400000000, 0.0001524100000000 ] - [ 0.0003618900000000, 0.0023995400000000, 0.0000426600000000 ] - [ 0.0002953400000000, -0.0009775800000000, -0.0003260900000000 ] - [ 0.0002523700000000, 0.0002157000000000, -0.0002377100000000 ] - [ -0.0000862100000000, 0.0009488700000000, -0.0006496000000000 ] - [ -0.0004478500000000, 0.0002693400000000, 0.0007671000000000 ] - [ 0.0001008900000000, 0.0015510900000000, 0.0020479400000000 ] - [ 0.0008862400000000, 0.0016208900000000, -0.0045309800000000 ] - [ -0.0013645200000000, 0.0023884500000000, 0.0027314900000000 ] - [ 0.0015264000000000, -0.0005708000000000, -0.0004301100000000 ] - [ 0.0005385900000000, 0.0000640000000000, 0.0006274300000000 ] - [ -0.0006986200000000, -0.0000711900000000, -0.0016083600000000 ] - [ -0.0001743600000000, -0.0001924900000000, -0.0007692000000000 ] - [ -0.0001187500000000, 0.0003160400000000, 0.0007593900000000 ] - [ -0.0004392800000000, -0.0014394500000000, 0.0005580100000000 ] - [ -0.0005214300000000, 0.0012141000000000, 0.0001955500000000 ] - [ -0.0004083100000000, 0.0016320000000000, -0.0016533900000000 ] - [ 0.0010673000000000, 0.0006767600000000, 0.0007997900000000 ] - [ 0.0001205300000000, -0.0005148200000000, -0.0003404600000000 ] - [ 0.0002310900000000, 0.0004149700000000, -0.0005286900000000 ] - [ 0.0000412000000000, -0.0063862200000000, -0.0026204500000000 ] - [ -0.0005725700000000, 0.0024507400000000, 0.0006553900000000 ] - [ 0.0326932900000000, -0.0693657700000000, 0.0286617200000000 ] - [ 0.0000243000000000, 0.0037559300000000, 0.0002816700000000 ] - [ -0.0005690600000000, 0.0003309900000000, 0.0001101000000000 ] - [ -0.0002158100000000, -0.0004687400000000, 0.0008331500000000 ] - [ 0.0005941900000000, 0.0011266400000000, 0.0000929100000000 ] - [ 0.0004708000000000, -0.0006808900000000, -0.0006747500000000 ] - [ -0.0005312900000000, 0.0002875300000000, 0.0002889000000000 ] - [ -0.0005795800000000, -0.0002737400000000, 0.0001145000000000 ] - [ 0.0000219200000000, -0.0001705200000000, -0.0004980100000000 ] - [ 0.0011854200000000, -0.0002430800000000, 0.0008838700000000 ] - [ -0.0000089100000000, 0.0011657900000000, 0.0011479500000000 ] - [ -0.0001498200000000, -0.0006933200000000, 0.0000702600000000 ] - [ 0.0005691900000000, 0.0003320200000000, 0.0002308300000000 ] - [ 0.0005437700000000, -0.0003206200000000, -0.0002622600000000 ] - [ -0.0005853300000000, -0.0008732700000000, -0.0007733800000000 ] - [ -0.0002955200000000, 0.0001119500000000, -0.0000121400000000 ] - [ -0.0001528000000000, 0.0008740400000000, -0.0007936900000000 ] - [ -0.0001890300000000, 0.0000934600000000, -0.0005044800000000 ] - [ -0.0002970400000000, 0.0003476600000000, 0.0001282800000000 ] - [ -0.0001730500000000, -0.0004071100000000, 0.0002280200000000 ] - [ -0.0015368700000000, 0.0013451500000000, 0.0006825200000000 ] - [ 0.0011830400000000, -0.0013358100000000, -0.0006193800000000 ] - [ 0.0033830300000000, 0.0034764300000000, -0.0005078300000000 ] - [ -0.0000348800000000, -0.0010621600000000, 0.0003594100000000 ] - [ 0.0001745800000000, -0.0007551900000000, 0.0011722400000000 ] - [ 0.0001517300000000, -0.0003484700000000, 0.0005959900000000 ] - [ -0.0428780700000000, 0.0642174900000000, -0.0335105200000000 ] - [ -0.0001218200000000, -0.0017451100000000, -0.0003803100000000 ] - [ 0.0005450500000000, 0.0000787800000000, -0.0001282300000000 ] - [ 0.0005628300000000, -0.0014485600000000, 0.0011891800000000 ] - [ -0.0007296000000000, -0.0024550600000000, -0.0002499800000000 ] - [ 0.0235497000000000, -0.0095305100000000, 0.0236918200000000 ] - [ 0.0023058800000000, -0.0011731100000000, -0.0006704100000000 ] - [ -0.0006450600000000, -0.0000537400000000, 0.0009995200000000 ] - [ -0.0088543600000000, 0.0095027500000000, -0.0160835000000000 ] - [ -0.0001112100000000, -0.0025712200000000, -0.0013946900000000 ] - [ 0.0002102600000000, 0.0000250800000000, 0.0009519900000000 ] - [ 0.0000559700000000, 0.0000244900000000, -0.0001819700000000 ] - [ 0.0007645100000000, -0.0003071000000000, 0.0010092000000000 ] - [ -0.0010772000000000, 0.0000071700000000, -0.0009740500000000 ] - [ -0.0003895200000000, 0.0013272600000000, -0.0002498600000000 ] - [ 0.0007796900000000, -0.0014435100000000, -0.0003075600000000 ] - [ 0.0007790200000000, -0.0003606200000000, 0.0001781800000000 ] - [ -0.0002188500000000, -0.0000390500000000, -0.0004804400000000 ] - [ 0.0004525900000000, -0.0007108700000000, -0.0005055900000000 ] - [ -0.0009071800000000, -0.0000850700000000, 0.0007549000000000 ] - [ -0.0000088400000000, -0.0009986800000000, 0.0007165900000000 ] - [ -0.0021198800000000, 0.0002489400000000, -0.0010330600000000 ] - [ 0.0003316700000000, -0.0001768700000000, -0.0014250700000000 ] - [ -0.0003971800000000, -0.0001123600000000, 0.0002469700000000 ] - [ -0.0000505500000000, 0.0001380600000000, -0.0002208600000000 ] - [ -0.0001318500000000, -0.0002571700000000, -0.0001978200000000 ] - [ -0.0088143100000000, 0.0095298400000000, -0.0007596600000000 ] - [ 0.0001181600000000, -0.0010321300000000, 0.0002486300000000 ] - [ 0.0002198900000000, 0.0002163500000000, 0.0004853500000000 ] - [ 0.0002762100000000, -0.0003450000000000, 0.0005720100000000 ] - [ -0.0004628100000000, -0.0001399200000000, 0.0003870500000000 ] - [ -0.0001215000000000, -0.0000160900000000, -0.0009617500000000 ]- atom: 65 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ -0.0002202000000000, 0.0018359800000000, 0.0015085000000000 ] - [ 0.0000938200000000, -0.0017546600000000, 0.0017356100000000 ] - [ -0.0002618000000000, -0.0000125200000000, -0.0006325200000000 ] - [ -0.0001893800000000, -0.0000567400000000, -0.0001821300000000 ] - [ -0.0001077900000000, -0.0000929700000000, -0.0008916300000000 ] - [ -0.0000590200000000, 0.0001641400000000, -0.0008089400000000 ] - [ -0.0003888300000000, 0.0001451500000000, -0.0037178900000000 ] - [ 0.0000280100000000, 0.0000113300000000, 0.0002159200000000 ] - [ 0.0013224400000000, 0.0000611400000000, -0.0011877200000000 ] - [ -0.0000061000000000, 0.0000424700000000, 0.0002812300000000 ] - [ 0.0003054100000000, 0.0004104100000000, 0.0008767100000000 ] - [ -0.0001167600000000, -0.0003157400000000, 0.0014495100000000 ] - [ -0.0017497200000000, 0.0001867500000000, -0.0001336400000000 ] - [ -0.0001082500000000, 0.0000796900000000, 0.0002374500000000 ] - [ 0.0002076600000000, -0.0000829500000000, -0.0009639300000000 ] - [ 0.0001675000000000, 0.0001684300000000, -0.0009769200000000 ] - [ -0.0043316700000000, 0.0007247300000000, 0.0039294300000000 ] - [ 0.0000942200000000, 0.0005337900000000, 0.0013904300000000 ] - [ 0.0000019400000000, -0.0003650300000000, -0.0019259500000000 ] - [ 0.0002285600000000, -0.0003088400000000, -0.0013193800000000 ] - [ 0.0000787300000000, 0.0015129200000000, -0.0012519300000000 ] - [ 0.0001120100000000, -0.0007890500000000, -0.0014277400000000 ] - [ 0.0002368300000000, -0.0059275600000000, -0.0020956500000000 ] - [ 0.0002305200000000, 0.0024921300000000, -0.0020693400000000 ] - [ 0.0008863000000000, -0.0007937400000000, 0.0023494500000000 ] - [ 0.0006224300000000, 0.0021438000000000, 0.0019957700000000 ] - [ -0.0009340500000000, -0.0005958200000000, -0.0005203900000000 ] - [ -0.0003846500000000, 0.0006280800000000, -0.0010030900000000 ] - [ -0.0003799900000000, 0.0005773500000000, -0.0018012500000000 ] - [ -0.0002790300000000, -0.0004370700000000, -0.0018832500000000 ] - [ -0.0006691000000000, 0.0004939800000000, -0.0033576600000000 ] - [ -0.0007533200000000, -0.0002524800000000, -0.0011493800000000 ] - [ -0.0000572300000000, 0.0022756800000000, -0.0013679700000000 ] - [ -0.0001585400000000, -0.0026880600000000, -0.0019933300000000 ] - [ 0.0009247600000000, 0.0000418800000000, -0.0030958100000000 ] - [ 0.0004438900000000, -0.0003216600000000, -0.0017708000000000 ] - [ 0.0073285400000000, 0.0013676200000000, 0.0035723400000000 ] - [ -0.0002264300000000, 0.0002004500000000, 0.0022509800000000 ] - [ 0.0844070100000000, -0.0194139300000000, 0.1504697200000000 ] - [ 0.0004604500000000, -0.0002011100000000, 0.0022332300000000 ] - [ -0.0003353100000000, 0.0001652200000000, 0.0009347900000000 ] - [ -0.0002842300000000, -0.0004908400000000, 0.0009273900000000 ] - [ 0.0005625900000000, -0.0000931500000000, 0.0012044200000000 ] - [ 0.0005551600000000, 0.0008557800000000, 0.0006362500000000 ] - [ -0.0007071300000000, 0.0001894100000000, 0.0011567200000000 ] - [ -0.0006395500000000, 0.0003305400000000, 0.0009591300000000 ] - [ 0.0014441700000000, 0.0005727600000000, 0.0004250500000000 ] - [ 0.0008846900000000, -0.0004862100000000, 0.0004262500000000 ] - [ -0.0019846900000000, -0.0001322100000000, -0.0010699800000000 ] - [ -0.0003809600000000, -0.0000187100000000, -0.0004100500000000 ] - [ 0.0007959100000000, -0.0001785000000000, 0.0011127100000000 ] - [ 0.0006470300000000, 0.0004685500000000, 0.0006453500000000 ] - [ -0.0001965600000000, 0.0000193100000000, -0.0000766600000000 ] - [ -0.0004058800000000, -0.0007078200000000, 0.0001460600000000 ] - [ -0.0005232600000000, 0.0000377600000000, 0.0009562100000000 ] - [ -0.0002345700000000, 0.0000899600000000, 0.0000547100000000 ] - [ 0.0002151200000000, -0.0001523300000000, 0.0013509200000000 ] - [ -0.0000022200000000, -0.0000058100000000, 0.0006448400000000 ] - [ -0.0030620500000000, -0.0012275200000000, 0.0001808900000000 ] - [ 0.0002425100000000, 0.0004891000000000, -0.0009191100000000 ] - [ -0.0054605700000000, 0.0018948600000000, 0.0018281200000000 ] - [ 0.0002693600000000, -0.0001431100000000, -0.0000369000000000 ] - [ 0.0001952400000000, -0.0010677300000000, 0.0019734500000000 ] - [ 0.0002043200000000, -0.0008437500000000, 0.0019453200000000 ] - [ -0.1045976000000000, 0.0200789200000000, -0.1606953900000000 ] - [ -0.0006093000000000, 0.0001520700000000, -0.0015047700000000 ] - [ 0.0004879000000000, -0.0006819000000000, 0.0023882900000000 ] - [ 0.0005816400000000, -0.0007888100000000, 0.0011432200000000 ] - [ -0.0005857600000000, 0.0007274300000000, -0.0014523100000000 ] - [ 0.0119981200000000, -0.0070449200000000, -0.0030870700000000 ] - [ -0.0004913100000000, 0.0004724200000000, -0.0009661000000000 ] - [ 0.0001973800000000, -0.0003847300000000, -0.0008185600000000 ] - [ 0.0237489800000000, 0.0065681600000000, 0.0211035900000000 ] - [ -0.0002138400000000, -0.0012737900000000, -0.0017476700000000 ] - [ 0.0004609500000000, -0.0003715000000000, 0.0013251400000000 ] - [ 0.0004869700000000, 0.0006813800000000, 0.0013330300000000 ] - [ 0.0010570200000000, -0.0013208000000000, 0.0004472400000000 ] - [ -0.0004887600000000, 0.0014949900000000, -0.0005674300000000 ] - [ -0.0008931800000000, -0.0009337900000000, -0.0011379200000000 ] - [ 0.0003639700000000, 0.0005302200000000, -0.0009556000000000 ] - [ 0.0006601100000000, -0.0006056600000000, 0.0001308700000000 ] - [ 0.0008564100000000, 0.0008502000000000, 0.0002429200000000 ] - [ -0.0012168000000000, 0.0007819800000000, -0.0004173900000000 ] - [ -0.0007936500000000, -0.0007947300000000, -0.0000410100000000 ] - [ -0.0003599700000000, -0.0009200100000000, 0.0001811800000000 ] - [ 0.0018304500000000, 0.0022938300000000, 0.0018457200000000 ] - [ -0.0000641700000000, 0.0001627700000000, -0.0009384000000000 ] - [ -0.0003001300000000, -0.0005080200000000, -0.0004123400000000 ] - [ -0.0000160800000000, -0.0000226800000000, 0.0008453700000000 ] - [ 0.0000144800000000, 0.0000214500000000, 0.0003717000000000 ] - [ -0.0096400500000000, -0.0008636900000000, -0.0130984600000000 ] - [ 0.0007504300000000, 0.0001009300000000, -0.0010362500000000 ] - [ -0.0005739000000000, -0.0000329200000000, 0.0025241400000000 ] - [ -0.0001372100000000, 0.0000721800000000, 0.0015710300000000 ] - [ -0.0004614800000000, -0.0002504800000000, 0.0005723700000000 ] - [ -0.0006499300000000, 0.0005559700000000, 0.0008869400000000 ]- atom: 65 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ 0.0003331600000000, -0.0019000400000000, -0.0021891600000000 ] - [ 0.0000230300000000, 0.0017245400000000, -0.0024085300000000 ] - [ 0.0001226400000000, -0.0000688200000000, 0.0008197600000000 ] - [ 0.0000513700000000, -0.0000249300000000, 0.0003682200000000 ] - [ 0.0002454700000000, 0.0001752500000000, 0.0007058300000000 ] - [ 0.0001966100000000, -0.0000831300000000, 0.0006212000000000 ] - [ 0.0002687600000000, -0.0001930100000000, 0.0044232800000000 ] - [ -0.0001393400000000, -0.0000611100000000, 0.0004769200000000 ] - [ -0.0014389700000000, -0.0000128500000000, 0.0018843100000000 ] - [ -0.0001055600000000, 0.0000090200000000, 0.0004094800000000 ] - [ -0.0001698400000000, -0.0004986500000000, -0.0010600300000000 ] - [ 0.0002491400000000, 0.0002398300000000, -0.0016280100000000 ] - [ 0.0016102400000000, -0.0001109700000000, 0.0003092100000000 ] - [ -0.0000297300000000, 0.0000043300000000, -0.0000530300000000 ] - [ -0.0000955800000000, 0.0001333000000000, 0.0002716000000000 ] - [ -0.0000551800000000, -0.0001193000000000, 0.0002833400000000 ] - [ 0.0048168600000000, 0.0000559300000000, -0.0041135500000000 ] - [ 0.0004652400000000, 0.0002413400000000, -0.0015921600000000 ] - [ 0.0005581600000000, -0.0004106000000000, 0.0017169200000000 ] - [ 0.0003314800000000, -0.0004634900000000, 0.0011117800000000 ] - [ -0.0006359500000000, -0.0007354700000000, 0.0014571800000000 ] - [ -0.0006690300000000, 0.0015584800000000, 0.0016316900000000 ] - [ -0.0008013600000000, 0.0051693700000000, 0.0023021400000000 ] - [ -0.0007807700000000, -0.0032565000000000, 0.0022503100000000 ] - [ -0.0011568400000000, 0.0007276500000000, -0.0018802900000000 ] - [ -0.0008894200000000, -0.0022113900000000, -0.0015188800000000 ] - [ 0.0017875700000000, 0.0005651300000000, -0.0002115700000000 ] - [ 0.0012251800000000, -0.0006607800000000, 0.0002686000000000 ] - [ 0.0001087500000000, -0.0005057800000000, 0.0022763400000000 ] - [ 0.0000084400000000, 0.0005003500000000, 0.0023562400000000 ] - [ -0.0001803500000000, -0.0005338600000000, 0.0040867900000000 ] - [ -0.0000955200000000, 0.0002275100000000, 0.0018748000000000 ] - [ 0.0009029400000000, -0.0022402400000000, 0.0006422100000000 ] - [ 0.0010039700000000, 0.0027133700000000, 0.0012659300000000 ] - [ -0.0006545000000000, -0.0001073000000000, 0.0026158000000000 ] - [ -0.0001749400000000, 0.0002552500000000, 0.0012919500000000 ] - [ -0.0081341200000000, -0.0013161000000000, -0.0026674700000000 ] - [ -0.0006209700000000, -0.0001683900000000, -0.0015173700000000 ] - [ -0.0873930500000000, 0.0199954700000000, -0.1519124500000000 ] - [ -0.0001908500000000, 0.0002726300000000, -0.0027047400000000 ] - [ -0.0007272300000000, -0.0001221800000000, -0.0001656100000000 ] - [ -0.0007757600000000, 0.0005320500000000, -0.0001567700000000 ] - [ 0.0005002700000000, 0.0001430600000000, -0.0019680700000000 ] - [ 0.0005078000000000, -0.0008168500000000, -0.0014045600000000 ] - [ -0.0003970300000000, -0.0002078800000000, -0.0009001000000000 ] - [ -0.0004646300000000, -0.0003486800000000, -0.0007021200000000 ] - [ -0.0009943000000000, -0.0006777000000000, -0.0007246800000000 ] - [ -0.0004247400000000, 0.0003825100000000, -0.0007191700000000 ] - [ 0.0015391500000000, 0.0002315700000000, 0.0013337400000000 ] - [ -0.0000721400000000, 0.0001211600000000, 0.0007070500000000 ] - [ 0.0003101300000000, 0.0001927700000000, -0.0013657100000000 ] - [ 0.0004579200000000, -0.0004485700000000, -0.0009001700000000 ] - [ -0.0008907600000000, -0.0009518100000000, -0.0008510200000000 ] - [ -0.0006785200000000, -0.0002209800000000, -0.0010726400000000 ] - [ 0.0002042700000000, 0.0009756200000000, -0.0024502900000000 ] - [ -0.0000827500000000, 0.0009223500000000, -0.0015492800000000 ] - [ -0.0006695500000000, 0.0000516600000000, -0.0010520000000000 ] - [ -0.0004507500000000, -0.0000989100000000, -0.0003448800000000 ] - [ 0.0040767100000000, 0.0011759400000000, -0.0009595000000000 ] - [ 0.0008192200000000, -0.0005309500000000, 0.0001478500000000 ] - [ 0.0064668700000000, -0.0009455600000000, -0.0008941500000000 ] - [ 0.0008166600000000, 0.0010739900000000, 0.0009635000000000 ] - [ 0.0001223500000000, 0.0000524400000000, -0.0004767200000000 ] - [ 0.0001137700000000, -0.0001687400000000, -0.0004481700000000 ] - [ 0.1080776900000000, -0.0203314600000000, 0.1612363600000000 ] - [ 0.0003860500000000, -0.0000198800000000, 0.0009328300000000 ] - [ 0.0005997800000000, -0.0002480200000000, -0.0014619000000000 ] - [ 0.0005053100000000, -0.0001490900000000, -0.0002089300000000 ] - [ -0.0005186300000000, -0.0007107100000000, 0.0017102500000000 ] - [ -0.0131528100000000, 0.0070971800000000, 0.0034936800000000 ] - [ 0.0008086100000000, 0.0005424600000000, 0.0024647400000000 ] - [ 0.0001189200000000, 0.0013966700000000, 0.0023134100000000 ] - [ -0.0244933800000000, -0.0077906500000000, -0.0230325700000000 ] - [ -0.0001037800000000, 0.0002542200000000, 0.0002509100000000 ] - [ -0.0002394000000000, 0.0005013000000000, -0.0007555100000000 ] - [ -0.0002634400000000, -0.0005447100000000, -0.0007615000000000 ] - [ -0.0021365400000000, 0.0022504400000000, -0.0013780300000000 ] - [ -0.0005977100000000, -0.0005604800000000, -0.0003632700000000 ] - [ 0.0020040600000000, 0.0009199200000000, 0.0008832100000000 ] - [ 0.0007409900000000, -0.0005497200000000, 0.0007008500000000 ] - [ -0.0002029100000000, 0.0007074800000000, -0.0004309300000000 ] - [ -0.0003993600000000, -0.0007452100000000, -0.0005424900000000 ] - [ 0.0014411700000000, -0.0009162500000000, 0.0009885500000000 ] - [ 0.0010116700000000, 0.0006628400000000, 0.0006108100000000 ] - [ -0.0007024200000000, 0.0008747600000000, 0.0005844800000000 ] - [ -0.0028777500000000, -0.0023300000000000, -0.0010751000000000 ] - [ -0.0005232200000000, -0.0003112900000000, 0.0001901600000000 ] - [ -0.0002853100000000, 0.0003588700000000, -0.0003385500000000 ] - [ -0.0002061600000000, -0.0001102200000000, -0.0014135700000000 ] - [ -0.0002370600000000, -0.0001550100000000, -0.0009404400000000 ] - [ 0.0103816200000000, 0.0010023300000000, 0.0137982600000000 ] - [ -0.0001625900000000, 0.0000464300000000, 0.0017854600000000 ] - [ 0.0011598200000000, -0.0001155400000000, -0.0017693400000000 ] - [ 0.0007235400000000, -0.0002222300000000, -0.0008167800000000 ] - [ -0.0001249200000000, 0.0003989200000000, -0.0013272500000000 ] - [ 0.0000640300000000, -0.0004056800000000, -0.0016389100000000 ]- atom: 87 displacement: [ 0.0099999173007689, 0.0000000000000000, 0.0000406691256613 ] forces: - [ -0.0014795200000000, -0.0000015600000000, 0.0005547900000000 ] - [ -0.0001549800000000, -0.0001560300000000, -0.0002926300000000 ] - [ 0.0000628000000000, 0.0000014400000000, 0.0006172600000000 ] - [ 0.0000269000000000, -0.0000760000000000, 0.0006137900000000 ] - [ -0.0008903400000000, 0.0001490800000000, 0.0018707100000000 ] - [ 0.0000190300000000, -0.0000499300000000, 0.0001181500000000 ] - [ -0.0002325600000000, 0.0000155800000000, 0.0007393100000000 ] - [ -0.0002039900000000, -0.0000911200000000, 0.0007903000000000 ] - [ 0.0002397500000000, 0.0016634600000000, -0.0011509100000000 ] - [ 0.0001213600000000, -0.0016838100000000, -0.0016715900000000 ] - [ 0.0020973300000000, 0.0003208600000000, -0.0014538200000000 ] - [ 0.0002936700000000, -0.0002460800000000, -0.0002180800000000 ] - [ -0.0000214900000000, -0.0030513800000000, -0.0005015500000000 ] - [ 0.0002387900000000, 0.0031415200000000, -0.0008658100000000 ] - [ 0.0008697600000000, 0.0002894700000000, -0.0011787400000000 ] - [ 0.0000959900000000, -0.0001058700000000, -0.0004310600000000 ] - [ 0.0006387200000000, 0.0045696200000000, 0.0018363200000000 ] - [ -0.0000745800000000, -0.0024473300000000, 0.0031075900000000 ] - [ 0.0005423600000000, -0.0021704500000000, 0.0017254900000000 ] - [ 0.0006719500000000, 0.0009765200000000, 0.0011741300000000 ] - [ -0.0000887800000000, 0.0005273400000000, 0.0008659100000000 ] - [ -0.0001855900000000, 0.0001971200000000, 0.0006918200000000 ] - [ -0.0147979800000000, 0.0006622900000000, -0.0047085000000000 ] - [ -0.0009799600000000, -0.0008322500000000, -0.0006592700000000 ] - [ 0.1089757700000000, 0.0313343800000000, -0.0301846200000000 ] - [ 0.0006238100000000, -0.0003264700000000, -0.0014680500000000 ] - [ 0.0528251700000000, 0.0043049500000000, -0.0058862300000000 ] - [ 0.0011319100000000, -0.0008221400000000, -0.0016666000000000 ] - [ -0.0006054500000000, 0.0000214000000000, 0.0027445300000000 ] - [ -0.0004213100000000, 0.0001237900000000, 0.0014142700000000 ] - [ -0.0027045000000000, -0.0009011600000000, 0.0005644700000000 ] - [ -0.0026326400000000, 0.0004898400000000, 0.0002403200000000 ] - [ 0.0012538900000000, -0.0000341900000000, 0.0029140500000000 ] - [ 0.0008780100000000, -0.0002173700000000, 0.0008348700000000 ] - [ 0.0001633700000000, -0.0000601700000000, 0.0008513800000000 ] - [ 0.0000056100000000, 0.0001090000000000, 0.0005861200000000 ] - [ 0.0004848100000000, -0.0000406800000000, -0.0007016600000000 ] - [ 0.0005873100000000, 0.0000185200000000, 0.0004271500000000 ] - [ -0.0020400400000000, -0.0001251400000000, -0.0016923200000000 ] - [ -0.0020289200000000, 0.0006730200000000, -0.0015809400000000 ] - [ -0.0121070800000000, 0.0017648500000000, -0.0036513900000000 ] - [ -0.0009741900000000, 0.0000162100000000, 0.0007687600000000 ] - [ 0.0011856300000000, 0.0005483100000000, 0.0000558000000000 ] - [ 0.0023955800000000, -0.0000817500000000, 0.0005787900000000 ] - [ -0.0004372400000000, -0.0000925700000000, -0.0003928100000000 ] - [ -0.0005591500000000, -0.0001395900000000, -0.0002034800000000 ] - [ 0.0330449500000000, -0.0030568200000000, -0.0355325400000000 ] - [ 0.0000393400000000, 0.0002289100000000, 0.0000391900000000 ] - [ -0.0012142200000000, -0.0000692300000000, 0.0001064500000000 ] - [ -0.0012553500000000, 0.0001861000000000, -0.0003295800000000 ] - [ 0.0005841900000000, -0.0001664900000000, -0.0010790600000000 ] - [ 0.0006071900000000, -0.0001778000000000, -0.0007133500000000 ] - [ -0.0112266900000000, -0.0026402800000000, -0.0006740400000000 ] - [ -0.0009440500000000, 0.0003750200000000, -0.0001531700000000 ] - [ -0.0001829500000000, 0.0007995100000000, -0.0014145100000000 ] - [ -0.0001545600000000, 0.0006156400000000, -0.0012572400000000 ] - [ 0.0011228700000000, 0.0009274900000000, -0.0004293400000000 ] - [ 0.0010662600000000, -0.0009664200000000, -0.0002176100000000 ] - [ 0.0005505600000000, -0.0001077800000000, -0.0003510400000000 ] - [ 0.0003102500000000, 0.0002212000000000, -0.0006307700000000 ] - [ 0.0004103300000000, 0.0005175100000000, 0.0005394000000000 ] - [ 0.0005104600000000, 0.0002740400000000, 0.0002802000000000 ] - [ 0.0000294200000000, -0.0003303000000000, -0.0008213200000000 ] - [ 0.0001841300000000, -0.0000410700000000, 0.0000922000000000 ] - [ 0.0014598000000000, -0.0005449300000000, 0.0003921000000000 ] - [ 0.0016041600000000, 0.0001651600000000, 0.0001888000000000 ] - [ 0.0020397700000000, -0.0002937200000000, 0.0009700900000000 ] - [ 0.0012128400000000, -0.0007399100000000, 0.0009125300000000 ] - [ 0.0019961600000000, -0.0007929500000000, 0.0010808200000000 ] - [ -0.0000565900000000, -0.0000140800000000, 0.0006408500000000 ] - [ 0.0090317100000000, -0.0003859100000000, -0.0175768900000000 ] - [ 0.0000337400000000, 0.0015326100000000, 0.0014134700000000 ] - [ 0.0017285500000000, -0.0003819200000000, 0.0002022700000000 ] - [ 0.0006992400000000, -0.0002922800000000, -0.0000811200000000 ] - [ -0.0000793400000000, -0.0000042100000000, -0.0006521700000000 ] - [ 0.0000442600000000, 0.0000524300000000, -0.0001718600000000 ] - [ -0.0006429600000000, 0.0005196400000000, -0.0021683400000000 ] - [ -0.0005684800000000, 0.0011213700000000, -0.0013199200000000 ] - [ -0.0001690600000000, -0.0003545700000000, 0.0007189500000000 ] - [ 0.0022567600000000, 0.0148170400000000, -0.0084029800000000 ] - [ -0.0004560000000000, 0.0000166800000000, -0.0008560300000000 ] - [ -0.0000596200000000, 0.0001257300000000, -0.0004902400000000 ] - [ 0.0394209600000000, 0.0089689400000000, 0.0009113900000000 ] - [ 0.0002453200000000, 0.0001067600000000, 0.0007867200000000 ] - [ -0.0006468400000000, -0.0002719500000000, -0.0013134500000000 ] - [ -0.0005356300000000, -0.0004601500000000, -0.0003511700000000 ] - [ -0.2159598100000000, -0.0579327700000000, 0.1036586600000000 ] - [ -0.0011795300000000, 0.0000060700000000, 0.0008943700000000 ] - [ -0.0005652700000000, 0.0000996700000000, -0.0007727100000000 ] - [ -0.0003813000000000, -0.0002301400000000, -0.0005281100000000 ] - [ 0.0008922300000000, 0.0005539200000000, 0.0013338300000000 ] - [ 0.0005262200000000, 0.0000568600000000, 0.0006568100000000 ] - [ 0.0007499700000000, -0.0000482200000000, -0.0001577600000000 ] - [ 0.0007486800000000, -0.0001911100000000, 0.0000666600000000 ] - [ 0.0003015300000000, -0.0000215900000000, -0.0022410900000000 ] - [ 0.0000173700000000, 0.0000628100000000, -0.0013243500000000 ]- atom: 87 displacement: [ -0.0099999173007689, 0.0000000000000000, -0.0000406691256613 ] forces: - [ 0.0016021200000000, -0.0000468800000000, -0.0012591500000000 ] - [ 0.0002671000000000, 0.0001063500000000, -0.0004012400000000 ] - [ -0.0002006800000000, -0.0000838100000000, -0.0004385200000000 ] - [ -0.0001643000000000, -0.0000045800000000, -0.0004340200000000 ] - [ 0.0010417800000000, -0.0000682400000000, -0.0020623700000000 ] - [ 0.0001210800000000, 0.0001323400000000, -0.0003033800000000 ] - [ 0.0001207000000000, -0.0000654800000000, -0.0000553600000000 ] - [ 0.0000917000000000, 0.0000425700000000, -0.0001059400000000 ] - [ -0.0003742200000000, -0.0016240000000000, 0.0018641100000000 ] - [ -0.0002503400000000, 0.0017465600000000, 0.0023856300000000 ] - [ -0.0019714800000000, -0.0004065500000000, 0.0012747000000000 ] - [ -0.0001555000000000, 0.0001650700000000, 0.0000339000000000 ] - [ -0.0000891800000000, 0.0031628500000000, 0.0006972000000000 ] - [ -0.0003629000000000, -0.0030682100000000, 0.0010734200000000 ] - [ -0.0007901800000000, -0.0002426500000000, 0.0004890700000000 ] - [ 0.0000125700000000, 0.0001568500000000, -0.0002585200000000 ] - [ -0.0000835100000000, -0.0038424000000000, -0.0020604400000000 ] - [ 0.0006381300000000, 0.0032440500000000, -0.0033291400000000 ] - [ 0.0000296100000000, 0.0014421200000000, -0.0019657100000000 ] - [ -0.0000999900000000, -0.0017873400000000, -0.0014157300000000 ] - [ -0.0004757300000000, 0.0002463500000000, -0.0006765200000000 ] - [ -0.0003764700000000, 0.0005779400000000, -0.0004979400000000 ] - [ 0.0143218000000000, -0.0014463900000000, 0.0049517400000000 ] - [ 0.0004229400000000, 0.0000614900000000, 0.0008770800000000 ] - [ -0.1155489600000000, -0.0343649300000000, 0.0345957800000000 ] - [ -0.0008987300000000, 0.0002604200000000, 0.0019615000000000 ] - [ -0.0519414300000000, -0.0043143600000000, 0.0048444500000000 ] - [ -0.0002740500000000, 0.0007950000000000, 0.0009670600000000 ] - [ 0.0003473000000000, 0.0000474300000000, -0.0023141000000000 ] - [ 0.0001575100000000, -0.0000650000000000, -0.0009599100000000 ] - [ 0.0018789400000000, 0.0008605200000000, 0.0001735200000000 ] - [ 0.0018087200000000, -0.0005081700000000, 0.0005020300000000 ] - [ -0.0004077000000000, 0.0000705300000000, -0.0036816800000000 ] - [ -0.0000314400000000, 0.0002466700000000, -0.0015786100000000 ] - [ 0.0000867500000000, -0.0000050100000000, -0.0013445900000000 ] - [ 0.0002466500000000, -0.0001748100000000, -0.0010757000000000 ] - [ -0.0013388000000000, 0.0000680700000000, 0.0014219000000000 ] - [ -0.0014404300000000, 0.0000176800000000, 0.0002884000000000 ] - [ 0.0023204700000000, 0.0001757600000000, 0.0012166400000000 ] - [ 0.0023033300000000, -0.0005802600000000, 0.0011034600000000 ] - [ 0.0110111300000000, -0.0018392300000000, 0.0047394300000000 ] - [ -0.0000890500000000, 0.0000384900000000, -0.0000122200000000 ] - [ -0.0001272300000000, -0.0005050800000000, -0.0008281900000000 ] - [ -0.0013424000000000, 0.0001113600000000, -0.0013669100000000 ] - [ -0.0006623100000000, 0.0000773000000000, 0.0006585100000000 ] - [ -0.0005415300000000, 0.0001241200000000, 0.0004659800000000 ] - [ -0.0320935800000000, 0.0028996500000000, 0.0346540500000000 ] - [ 0.0004041900000000, -0.0003329700000000, -0.0003450100000000 ] - [ 0.0007690100000000, 0.0001758500000000, 0.0001974300000000 ] - [ 0.0008078500000000, -0.0000865000000000, 0.0006351900000000 ] - [ 0.0005163900000000, 0.0001856500000000, 0.0008403800000000 ] - [ 0.0004940700000000, 0.0002031200000000, 0.0004730300000000 ] - [ 0.0101507200000000, 0.0018524900000000, -0.0000270900000000 ] - [ -0.0001435400000000, -0.0013198100000000, -0.0007864900000000 ] - [ -0.0001313500000000, 0.0002094300000000, -0.0000690800000000 ] - [ -0.0001600300000000, 0.0003942800000000, -0.0002280700000000 ] - [ -0.0015968400000000, -0.0010329300000000, 0.0007258300000000 ] - [ -0.0015414100000000, 0.0008646000000000, 0.0005130700000000 ] - [ 0.0005131500000000, 0.0000636400000000, -0.0004087300000000 ] - [ 0.0007545800000000, -0.0002701900000000, -0.0001291300000000 ] - [ 0.0006776100000000, 0.0004178600000000, 0.0003953200000000 ] - [ 0.0005756600000000, 0.0006565600000000, 0.0006562600000000 ] - [ 0.0002819600000000, -0.0006876500000000, 0.0023500900000000 ] - [ 0.0001318500000000, -0.0009830200000000, 0.0014159700000000 ] - [ -0.0016910200000000, 0.0006867600000000, -0.0009602900000000 ] - [ -0.0018284900000000, -0.0000395100000000, -0.0007548900000000 ] - [ -0.0009594400000000, -0.0006247400000000, -0.0000572600000000 ] - [ -0.0001318300000000, -0.0001927700000000, 0.0000100800000000 ] - [ -0.0031089300000000, 0.0007964400000000, -0.0008187700000000 ] - [ -0.0010513900000000, 0.0000392900000000, -0.0003863900000000 ] - [ -0.0089669600000000, 0.0014673800000000, 0.0196105600000000 ] - [ 0.0002849900000000, -0.0005267400000000, 0.0000757000000000 ] - [ -0.0020566000000000, -0.0006166700000000, -0.0016978200000000 ] - [ -0.0010210100000000, -0.0007321700000000, -0.0014202700000000 ] - [ 0.0003055700000000, 0.0001380000000000, 0.0012378600000000 ] - [ 0.0001818900000000, 0.0000825700000000, 0.0007506900000000 ] - [ -0.0004430300000000, 0.0004100400000000, 0.0012612800000000 ] - [ -0.0005172600000000, -0.0001936700000000, 0.0003997700000000 ] - [ 0.0012794900000000, 0.0003415900000000, -0.0009872400000000 ] - [ -0.0010530200000000, -0.0150497600000000, 0.0081990800000000 ] - [ 0.0009120900000000, 0.0000859600000000, 0.0005692100000000 ] - [ 0.0005120900000000, -0.0000221700000000, 0.0001967700000000 ] - [ -0.0403575800000000, -0.0093699600000000, -0.0004693500000000 ] - [ -0.0000223900000000, -0.0002405000000000, -0.0002235900000000 ] - [ -0.0004155700000000, 0.0002273600000000, 0.0020983000000000 ] - [ -0.0005269400000000, 0.0004241200000000, 0.0011292200000000 ] - [ 0.2224315600000000, 0.0611699100000000, -0.1085247400000000 ] - [ 0.0006018300000000, -0.0001540700000000, -0.0016625300000000 ] - [ 0.0003615600000000, -0.0002373100000000, 0.0002168400000000 ] - [ 0.0001732900000000, 0.0001022000000000, -0.0000316100000000 ] - [ -0.0003121000000000, -0.0004032700000000, -0.0005788400000000 ] - [ 0.0000545000000000, 0.0000850700000000, 0.0001005800000000 ] - [ -0.0001641700000000, -0.0000986000000000, 0.0009083300000000 ] - [ -0.0001638400000000, 0.0000417800000000, 0.0006811100000000 ] - [ -0.0009010000000000, 0.0001713700000000, 0.0015170400000000 ] - [ -0.0006083300000000, 0.0000875400000000, 0.0005885600000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000621200000000, 0.0004813200000000, -0.0002404700000000 ] - [ -0.0000494800000000, -0.0004672000000000, -0.0003797500000000 ] - [ -0.0000210500000000, -0.0000745700000000, 0.0001417500000000 ] - [ -0.0000598700000000, -0.0000073200000000, 0.0002536100000000 ] - [ -0.0000419600000000, 0.0004687800000000, 0.0000634000000000 ] - [ 0.0000433400000000, -0.0003262600000000, -0.0000214300000000 ] - [ -0.0001084300000000, -0.0000702500000000, 0.0003661200000000 ] - [ -0.0000856300000000, 0.0000147400000000, 0.0004925600000000 ] - [ 0.0021697700000000, -0.0012485300000000, 0.0009146600000000 ] - [ -0.0012144900000000, -0.0009777100000000, -0.0007430900000000 ] - [ 0.0000856900000000, 0.0016162600000000, -0.0005079200000000 ] - [ 0.0001402500000000, -0.0006484500000000, -0.0002057300000000 ] - [ -0.0017174800000000, -0.0014962700000000, 0.0004510900000000 ] - [ 0.0018571100000000, -0.0016740700000000, -0.0004256500000000 ] - [ 0.0001263700000000, 0.0013604100000000, -0.0005218700000000 ] - [ 0.0000944700000000, -0.0004928800000000, -0.0002983000000000 ] - [ 0.0009968000000000, -0.0003216700000000, -0.0016361200000000 ] - [ -0.0003829800000000, -0.0014371700000000, 0.0036821500000000 ] - [ -0.0002406700000000, -0.0024800400000000, 0.0021128800000000 ] - [ 0.0009203800000000, -0.0016968500000000, -0.0021213700000000 ] - [ -0.0002670800000000, 0.0009038900000000, 0.0002369500000000 ] - [ -0.0002468800000000, -0.0001455800000000, 0.0001829700000000 ] - [ -0.0017863700000000, 0.0008802500000000, -0.0004013500000000 ] - [ -0.0004433400000000, -0.0016043100000000, -0.0000181400000000 ] - [ 0.0366763100000000, 0.0621565400000000, -0.0128142100000000 ] - [ 0.0002406000000000, -0.0036896400000000, -0.0001832300000000 ] - [ 0.0002763800000000, 0.0489055500000000, 0.0159287200000000 ] - [ 0.0006002100000000, -0.0030752100000000, -0.0004738100000000 ] - [ -0.0001225800000000, 0.0010908800000000, 0.0004279200000000 ] - [ -0.0003807600000000, -0.0009496600000000, 0.0008197000000000 ] - [ -0.0013305400000000, 0.0000159700000000, 0.0005888500000000 ] - [ -0.0001011500000000, 0.0000731200000000, 0.0001864500000000 ] - [ 0.0005398500000000, 0.0011357700000000, -0.0001084300000000 ] - [ 0.0006685000000000, -0.0010860700000000, -0.0001529000000000 ] - [ 0.0007062500000000, 0.0003567200000000, 0.0006810100000000 ] - [ -0.0003148700000000, -0.0003011800000000, -0.0007356300000000 ] - [ -0.0006976600000000, -0.0000811000000000, -0.0009400800000000 ] - [ 0.0004121800000000, 0.0000568200000000, 0.0012410000000000 ] - [ -0.0005945600000000, -0.0007161900000000, -0.0006325600000000 ] - [ -0.0006571500000000, 0.0004443500000000, -0.0006446900000000 ] - [ 0.0001857400000000, 0.0003676200000000, -0.0262222600000000 ] - [ -0.0008495900000000, 0.0018308000000000, 0.0002134000000000 ] - [ 0.0005963200000000, 0.0004159000000000, -0.0004140800000000 ] - [ 0.0007632200000000, -0.0003369300000000, -0.0002488500000000 ] - [ -0.0006494900000000, -0.0004038900000000, -0.0001287000000000 ] - [ -0.0004503300000000, 0.0003311600000000, 0.0002601600000000 ] - [ 0.0042234100000000, -0.0096102800000000, -0.0021731300000000 ] - [ 0.0001893100000000, 0.0009958800000000, -0.0001669900000000 ] - [ -0.0000573600000000, 0.0001539100000000, 0.0006902500000000 ] - [ -0.0010886800000000, 0.0001605300000000, -0.0005330100000000 ] - [ 0.0005729500000000, -0.0006697300000000, -0.0006181400000000 ] - [ 0.0005450200000000, 0.0007697800000000, 0.0002393100000000 ] - [ -0.0018993800000000, 0.0026725700000000, 0.0236924900000000 ] - [ -0.0004428100000000, 0.0015660100000000, -0.0004144800000000 ] - [ -0.0002639500000000, 0.0006937900000000, -0.0011643600000000 ] - [ -0.0000884600000000, 0.0003865200000000, -0.0005900900000000 ] - [ 0.0006490200000000, 0.0000665400000000, -0.0001358600000000 ] - [ -0.0007688700000000, -0.0000750100000000, 0.0002522000000000 ] - [ 0.0006517400000000, -0.0003613400000000, -0.0000595700000000 ] - [ 0.0003044900000000, 0.0003647900000000, -0.0007046100000000 ] - [ 0.0006606600000000, 0.0008701500000000, 0.0008023300000000 ] - [ 0.0003867500000000, 0.0000198800000000, 0.0001674500000000 ] - [ 0.0000705500000000, -0.0015639000000000, 0.0010754200000000 ] - [ 0.0002258300000000, 0.0004443200000000, 0.0001311700000000 ] - [ 0.0000852100000000, 0.0001698500000000, 0.0000165800000000 ] - [ 0.0009097400000000, 0.0001041800000000, -0.0004493600000000 ] - [ 0.0006079500000000, -0.0008560300000000, 0.0004961100000000 ] - [ 0.0006388400000000, -0.0001558800000000, 0.0005713200000000 ] - [ -0.0004503700000000, -0.0006402800000000, 0.0002831300000000 ] - [ -0.0003247600000000, 0.0005947900000000, 0.0002068400000000 ] - [ -0.0062180400000000, -0.0079823500000000, 0.0083198400000000 ] - [ 0.0000365500000000, 0.0026768600000000, 0.0015146800000000 ] - [ 0.0004419700000000, -0.0005838500000000, -0.0004464400000000 ] - [ -0.0000327700000000, -0.0002153200000000, -0.0005959500000000 ] - [ 0.0000583900000000, -0.0002245200000000, 0.0002284600000000 ] - [ 0.0001772900000000, 0.0003379100000000, 0.0001515800000000 ] - [ -0.0005284200000000, -0.0000192300000000, -0.0002035700000000 ] - [ -0.0005507800000000, 0.0014673500000000, -0.0011991300000000 ] - [ -0.0002857900000000, 0.0026972500000000, 0.0002801600000000 ] - [ 0.0228510300000000, 0.0193345400000000, -0.0194950300000000 ] - [ 0.0001454300000000, -0.0002669900000000, -0.0002123400000000 ] - [ 0.0001000000000000, 0.0003618300000000, -0.0002145200000000 ] - [ 0.0030357400000000, -0.0094610400000000, 0.0000937300000000 ] - [ -0.0000972800000000, 0.0010414100000000, 0.0002525500000000 ] - [ -0.0005705800000000, -0.0009385600000000, -0.0001800800000000 ] - [ -0.0005132100000000, 0.0005151200000000, 0.0005648900000000 ] - [ -0.0593154300000000, -0.1036984500000000, 0.0119288900000000 ] - [ -0.0002129500000000, 0.0010890900000000, -0.0002501300000000 ] - [ -0.0008731000000000, 0.0000218900000000, -0.0009960500000000 ] - [ 0.0004154200000000, 0.0001487500000000, 0.0002007900000000 ] - [ 0.0007716500000000, 0.0003988300000000, 0.0011975300000000 ] - [ 0.0002824500000000, 0.0001293100000000, 0.0000287100000000 ] - [ 0.0004111100000000, -0.0000943600000000, 0.0000476200000000 ] - [ 0.0002664600000000, -0.0000921100000000, 0.0005588600000000 ] - [ -0.0001982800000000, -0.0002583200000000, -0.0005701700000000 ] - [ -0.0002811400000000, 0.0004160700000000, -0.0006445900000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000472200000000, -0.0005310000000000, -0.0004490600000000 ] - [ 0.0001620200000000, 0.0004177000000000, -0.0003133600000000 ] - [ -0.0001170700000000, -0.0000062800000000, 0.0000418300000000 ] - [ -0.0000788400000000, -0.0000747100000000, -0.0000706400000000 ] - [ 0.0001823600000000, -0.0003862400000000, -0.0002556600000000 ] - [ 0.0000940400000000, 0.0004077900000000, -0.0001633700000000 ] - [ -0.0000045600000000, 0.0000216000000000, 0.0003241900000000 ] - [ -0.0000266900000000, -0.0000645600000000, 0.0001976600000000 ] - [ -0.0022655100000000, 0.0012983600000000, -0.0002101200000000 ] - [ 0.0011022600000000, 0.0010168900000000, 0.0014394800000000 ] - [ 0.0000482300000000, -0.0016935700000000, 0.0003127300000000 ] - [ -0.0000036800000000, 0.0005659400000000, 0.0000185700000000 ] - [ 0.0016036700000000, 0.0016364100000000, -0.0002676100000000 ] - [ -0.0020002000000000, 0.0017521200000000, 0.0006190300000000 ] - [ -0.0000178100000000, -0.0013086900000000, -0.0001771700000000 ] - [ 0.0000181700000000, 0.0005419900000000, -0.0003918800000000 ] - [ -0.0004302600000000, 0.0011051800000000, 0.0014213200000000 ] - [ 0.0009460700000000, 0.0022106500000000, -0.0038952300000000 ] - [ 0.0008004300000000, 0.0017186500000000, -0.0023212800000000 ] - [ -0.0003601200000000, 0.0009120200000000, 0.0019056100000000 ] - [ -0.0002936100000000, -0.0001290200000000, -0.0000368500000000 ] - [ -0.0003138400000000, 0.0009196300000000, 0.0000183200000000 ] - [ 0.0012130100000000, -0.0016449600000000, 0.0006141200000000 ] - [ -0.0001176900000000, 0.0008268900000000, 0.0002282800000000 ] - [ -0.0376203000000000, -0.0619556300000000, 0.0138684900000000 ] - [ -0.0005053700000000, 0.0036085400000000, 0.0006702000000000 ] - [ 0.0005701600000000, -0.0484211100000000, -0.0160617600000000 ] - [ 0.0002500800000000, 0.0030339800000000, -0.0002414200000000 ] - [ -0.0001451800000000, -0.0010225100000000, 0.0000405500000000 ] - [ 0.0001138300000000, 0.0010123300000000, -0.0003476700000000 ] - [ 0.0004823200000000, -0.0000345700000000, 0.0001388100000000 ] - [ -0.0007464600000000, -0.0001170300000000, 0.0005356400000000 ] - [ 0.0003102100000000, -0.0011063300000000, -0.0006229800000000 ] - [ 0.0001790800000000, 0.0011206400000000, -0.0005794600000000 ] - [ -0.0004390600000000, -0.0004196900000000, -0.0011617900000000 ] - [ 0.0005821000000000, 0.0002332300000000, 0.0002525300000000 ] - [ -0.0001535000000000, 0.0001127000000000, 0.0016586200000000 ] - [ -0.0012663100000000, -0.0000244100000000, -0.0005148500000000 ] - [ 0.0008530600000000, 0.0007848400000000, 0.0001601400000000 ] - [ 0.0009258100000000, -0.0003880000000000, 0.0001767500000000 ] - [ -0.0013111400000000, -0.0003355600000000, 0.0267775600000000 ] - [ -0.0002149200000000, -0.0017792000000000, 0.0005496900000000 ] - [ 0.0004632400000000, -0.0003771200000000, -0.0003574600000000 ] - [ 0.0003004100000000, 0.0003882800000000, -0.0005128200000000 ] - [ -0.0004549400000000, 0.0003854800000000, 0.0003879400000000 ] - [ -0.0006536300000000, -0.0003465800000000, -0.0000016100000000 ] - [ -0.0037707600000000, 0.0094405000000000, 0.0019249300000000 ] - [ 0.0002635000000000, -0.0010942800000000, -0.0001360300000000 ] - [ -0.0003960900000000, -0.0000505900000000, -0.0003870300000000 ] - [ 0.0006399300000000, -0.0000577900000000, 0.0008350000000000 ] - [ 0.0005306300000000, 0.0006870200000000, 0.0003646800000000 ] - [ 0.0005581800000000, -0.0007485000000000, -0.0004915600000000 ] - [ 0.0007691000000000, -0.0036564200000000, -0.0248876100000000 ] - [ -0.0006451300000000, -0.0024948000000000, -0.0005222300000000 ] - [ -0.0000535800000000, 0.0003181300000000, -0.0003278900000000 ] - [ -0.0002290800000000, 0.0006258800000000, -0.0009010800000000 ] - [ -0.0011033500000000, -0.0001752800000000, 0.0004330200000000 ] - [ 0.0003143900000000, -0.0000223900000000, 0.0000479000000000 ] - [ 0.0004117500000000, 0.0003174600000000, -0.0007051000000000 ] - [ 0.0007584300000000, -0.0004074500000000, -0.0000620500000000 ] - [ 0.0004265700000000, 0.0000636200000000, 0.0001301400000000 ] - [ 0.0007015600000000, 0.0009129300000000, 0.0007638700000000 ] - [ 0.0002470900000000, 0.0005493000000000, 0.0004254600000000 ] - [ 0.0000909800000000, -0.0014581900000000, 0.0013656000000000 ] - [ -0.0003054400000000, -0.0000381200000000, -0.0005847000000000 ] - [ -0.0011383200000000, 0.0000315100000000, -0.0001212100000000 ] - [ 0.0004763300000000, -0.0000851700000000, 0.0004361800000000 ] - [ 0.0004465000000000, -0.0007696000000000, 0.0003564000000000 ] - [ -0.0006483500000000, 0.0006657800000000, -0.0000340200000000 ] - [ -0.0007765600000000, -0.0005779100000000, 0.0000499000000000 ] - [ 0.0064929700000000, 0.0090277100000000, -0.0067822300000000 ] - [ 0.0002793500000000, -0.0016597200000000, -0.0000179600000000 ] - [ -0.0007532500000000, -0.0004374400000000, -0.0010532100000000 ] - [ -0.0002845100000000, -0.0007941400000000, -0.0009017000000000 ] - [ 0.0001638600000000, 0.0003582700000000, 0.0003435300000000 ] - [ 0.0000454500000000, -0.0002034700000000, 0.0004198800000000 ] - [ -0.0005589500000000, 0.0009511700000000, -0.0007253300000000 ] - [ -0.0005366600000000, -0.0005391900000000, 0.0002758000000000 ] - [ 0.0013817500000000, -0.0026967100000000, -0.0005342200000000 ] - [ -0.0221369400000000, -0.0198217600000000, 0.0196402200000000 ] - [ 0.0003077200000000, 0.0003708600000000, -0.0000838100000000 ] - [ 0.0003532200000000, -0.0002588700000000, -0.0000823900000000 ] - [ -0.0027013200000000, 0.0094039600000000, 0.0004277100000000 ] - [ 0.0003137900000000, -0.0011695300000000, 0.0003103900000000 ] - [ -0.0004924500000000, 0.0009007200000000, 0.0009512500000000 ] - [ -0.0005490800000000, -0.0005574400000000, 0.0002051800000000 ] - [ 0.0598353000000000, 0.1031493700000000, -0.0138259000000000 ] - [ -0.0003704300000000, -0.0012337500000000, -0.0005091300000000 ] - [ 0.0006520900000000, -0.0001566400000000, 0.0004286100000000 ] - [ -0.0006364100000000, -0.0002796400000000, -0.0007668000000000 ] - [ -0.0001806200000000, -0.0002477200000000, -0.0004413000000000 ] - [ 0.0003058700000000, 0.0000210200000000, 0.0007212700000000 ] - [ 0.0001741200000000, -0.0000557000000000, 0.0007063300000000 ] - [ 0.0003165000000000, -0.0000534300000000, 0.0001976900000000 ] - [ -0.0003908700000000, 0.0004085000000000, -0.0001774800000000 ] - [ -0.0003058800000000, -0.0002671500000000, -0.0001029300000000 ]- atom: 87 displacement: [ -0.0026903513219306, 0.0000000000000000, 0.0096313036378564 ] forces: - [ 0.0021358700000000, 0.0001420000000000, -0.0017710900000000 ] - [ 0.0002145100000000, 0.0000564900000000, -0.0005859300000000 ] - [ -0.0001776200000000, -0.0001925300000000, -0.0013330200000000 ] - [ -0.0001321300000000, 0.0001138200000000, -0.0012079100000000 ] - [ 0.0015638500000000, -0.0000976700000000, -0.0025386100000000 ] - [ 0.0002030000000000, 0.0001398800000000, -0.0004284800000000 ] - [ 0.0000745300000000, -0.0001176400000000, -0.0008912700000000 ] - [ 0.0000430800000000, 0.0001555900000000, -0.0008890400000000 ] - [ -0.0011897900000000, 0.0000416200000000, 0.0034284000000000 ] - [ -0.0006415400000000, 0.0004470900000000, 0.0038801100000000 ] - [ -0.0035217800000000, 0.0003578800000000, -0.0021156500000000 ] - [ -0.0001404200000000, 0.0000173900000000, 0.0000763200000000 ] - [ -0.0000100600000000, 0.0019152800000000, 0.0037823400000000 ] - [ -0.0003970500000000, -0.0016855700000000, 0.0039239200000000 ] - [ -0.0028627000000000, -0.0003669500000000, -0.0010833600000000 ] - [ -0.0001391200000000, 0.0002340100000000, -0.0002141700000000 ] - [ 0.0010487400000000, -0.0077864100000000, -0.0042730200000000 ] - [ 0.0012927200000000, 0.0052618800000000, -0.0050861500000000 ] - [ 0.0010567600000000, 0.0053166400000000, -0.0049364300000000 ] - [ 0.0008060600000000, -0.0047591500000000, -0.0046070700000000 ] - [ -0.0009774900000000, 0.0003412700000000, -0.0030034200000000 ] - [ -0.0005179400000000, 0.0006092900000000, -0.0019907000000000 ] - [ 0.0099156800000000, -0.0008931400000000, 0.0070469100000000 ] - [ 0.0003660800000000, 0.0000761800000000, 0.0024048700000000 ] - [ -0.0499952900000000, -0.0163341400000000, 0.0722477700000000 ] - [ -0.0009559000000000, -0.0008303300000000, 0.0044001600000000 ] - [ -0.0292843900000000, 0.0075451500000000, 0.1226601500000000 ] - [ 0.0006769100000000, 0.0007391800000000, 0.0038755400000000 ] - [ 0.0011904700000000, 0.0001848700000000, -0.0066470100000000 ] - [ 0.0004214000000000, -0.0007011700000000, -0.0032516800000000 ] - [ 0.0024404900000000, 0.0018465500000000, 0.0001736800000000 ] - [ 0.0024191900000000, -0.0016134700000000, 0.0001870300000000 ] - [ 0.0002023700000000, 0.0004983900000000, -0.0072916500000000 ] - [ -0.0000221100000000, 0.0000305500000000, -0.0034553600000000 ] - [ -0.0010811100000000, 0.0001838600000000, -0.0037040100000000 ] - [ -0.0005454200000000, -0.0004844700000000, -0.0032034700000000 ] - [ -0.0026373700000000, -0.0011884400000000, -0.0003650800000000 ] - [ -0.0022905300000000, 0.0013588600000000, -0.0004655300000000 ] - [ 0.0011779200000000, -0.0007232900000000, 0.0037937100000000 ] - [ 0.0018877500000000, 0.0008319400000000, 0.0027836000000000 ] - [ 0.0012590500000000, -0.0154808300000000, 0.0355929200000000 ] - [ -0.0004190900000000, 0.0012031200000000, -0.0011377700000000 ] - [ -0.0002432600000000, -0.0011654400000000, -0.0013343500000000 ] - [ -0.0008853800000000, 0.0007678900000000, -0.0012643400000000 ] - [ -0.0002966700000000, 0.0001924000000000, 0.0018388900000000 ] - [ -0.0003197600000000, 0.0005594500000000, 0.0012635000000000 ] - [ -0.0306240500000000, 0.0028078800000000, 0.0203334100000000 ] - [ -0.0001497100000000, -0.0002703700000000, -0.0012234700000000 ] - [ 0.0015650700000000, 0.0010353700000000, 0.0012913900000000 ] - [ 0.0012730700000000, -0.0008005900000000, 0.0012626400000000 ] - [ 0.0002190300000000, 0.0004794900000000, 0.0025345800000000 ] - [ 0.0002642200000000, 0.0009420100000000, 0.0020135100000000 ] - [ 0.0021197100000000, 0.0179647900000000, 0.0207444100000000 ] - [ -0.0005407200000000, -0.0022849400000000, -0.0020821300000000 ] - [ 0.0000806200000000, -0.0003188300000000, 0.0013628500000000 ] - [ 0.0000107000000000, -0.0000040000000000, 0.0010314800000000 ] - [ -0.0025313200000000, -0.0015242700000000, 0.0004180200000000 ] - [ -0.0024444300000000, 0.0013496100000000, 0.0003866200000000 ] - [ 0.0010305200000000, 0.0003078000000000, 0.0007458200000000 ] - [ 0.0010819000000000, -0.0009719400000000, 0.0005413500000000 ] - [ 0.0011495400000000, 0.0013398600000000, 0.0012499200000000 ] - [ 0.0010687200000000, -0.0000620000000000, 0.0015713600000000 ] - [ -0.0002536100000000, -0.0012652400000000, 0.0053189700000000 ] - [ 0.0000177000000000, -0.0020811800000000, 0.0027267700000000 ] - [ -0.0021095900000000, 0.0012397600000000, -0.0014712800000000 ] - [ -0.0021618100000000, -0.0005596100000000, -0.0008945400000000 ] - [ -0.0005813300000000, -0.0011928700000000, -0.0000507500000000 ] - [ -0.0003308800000000, 0.0004658800000000, -0.0003795600000000 ] - [ -0.0011469900000000, 0.0000551800000000, -0.0019448500000000 ] - [ -0.0009019200000000, 0.0006890800000000, -0.0012737900000000 ] - [ -0.0352241100000000, 0.0034211900000000, 0.0356168200000000 ] - [ 0.0002601100000000, -0.0008792300000000, -0.0006402800000000 ] - [ -0.0011931100000000, -0.0011669200000000, -0.0032997300000000 ] - [ -0.0008498200000000, -0.0014477100000000, -0.0027558600000000 ] - [ 0.0008456800000000, 0.0001873900000000, 0.0028739000000000 ] - [ 0.0005689700000000, 0.0002581300000000, 0.0017237400000000 ] - [ -0.0005397300000000, 0.0001559700000000, 0.0030651800000000 ] - [ -0.0005504200000000, -0.0004971200000000, 0.0011833400000000 ] - [ 0.0008438700000000, 0.0017563700000000, -0.0022989900000000 ] - [ -0.0150503500000000, -0.0270579800000000, 0.0037696000000000 ] - [ 0.0005964200000000, 0.0000006000000000, 0.0020240700000000 ] - [ 0.0005162300000000, 0.0000423600000000, 0.0008077800000000 ] - [ -0.0099257800000000, -0.0014096900000000, -0.0132368100000000 ] - [ -0.0004592400000000, 0.0000079100000000, -0.0014087800000000 ] - [ -0.0005215700000000, 0.0002010700000000, 0.0035547300000000 ] - [ -0.0005469200000000, 0.0011608700000000, 0.0021715100000000 ] - [ 0.1626093100000000, 0.0299916100000000, -0.2995427800000000 ] - [ 0.0011869800000000, 0.0000291900000000, -0.0035726500000000 ] - [ 0.0018205600000000, -0.0006762800000000, 0.0016150400000000 ] - [ 0.0013047000000000, 0.0007085400000000, 0.0011062400000000 ] - [ 0.0010531000000000, 0.0007327400000000, -0.0003748900000000 ] - [ 0.0005003700000000, -0.0002542200000000, -0.0000364100000000 ] - [ -0.0001295400000000, -0.0002544500000000, 0.0014529600000000 ] - [ -0.0003464600000000, 0.0002744600000000, 0.0013922700000000 ] - [ -0.0022800500000000, 0.0002879700000000, 0.0041905300000000 ] - [ -0.0013061800000000, 0.0003384900000000, 0.0021225200000000 ]- atom: 87 displacement: [ 0.0026903513219306, 0.0000000000000000, -0.0096313036378564 ] forces: - [ -0.0020261600000000, -0.0001875100000000, 0.0010915200000000 ] - [ -0.0001027400000000, -0.0001081400000000, -0.0001025100000000 ] - [ 0.0000393400000000, 0.0001102900000000, 0.0015238300000000 ] - [ -0.0000059300000000, -0.0001947600000000, 0.0013992600000000 ] - [ -0.0014348700000000, 0.0001811300000000, 0.0023666500000000 ] - [ -0.0000672600000000, -0.0000591400000000, 0.0002439900000000 ] - [ -0.0001867600000000, 0.0000672000000000, 0.0015889200000000 ] - [ -0.0001556300000000, -0.0002046200000000, 0.0015876700000000 ] - [ 0.0010761900000000, 0.0000233700000000, -0.0027620700000000 ] - [ 0.0005356700000000, -0.0004097000000000, -0.0032134500000000 ] - [ 0.0036755300000000, -0.0004474700000000, 0.0020072500000000 ] - [ 0.0002781400000000, -0.0001001700000000, -0.0002594600000000 ] - [ -0.0001252900000000, -0.0018470700000000, -0.0036308800000000 ] - [ 0.0002637400000000, 0.0017698000000000, -0.0037691400000000 ] - [ 0.0029958900000000, 0.0004208000000000, 0.0003887400000000 ] - [ 0.0002527300000000, -0.0001858500000000, -0.0004796100000000 ] - [ -0.0004967300000000, 0.0085626300000000, 0.0040849600000000 ] - [ -0.0007371000000000, -0.0045054200000000, 0.0049153300000000 ] - [ -0.0005056800000000, -0.0061285900000000, 0.0047605400000000 ] - [ -0.0002518700000000, 0.0040069500000000, 0.0044254700000000 ] - [ 0.0004195100000000, 0.0004345800000000, 0.0032216600000000 ] - [ -0.0000410800000000, 0.0001619600000000, 0.0022065200000000 ] - [ -0.0105845900000000, 0.0001277000000000, -0.0069111000000000 ] - [ -0.0009290100000000, -0.0008532000000000, -0.0022142100000000 ] - [ 0.0454543800000000, 0.0143789200000000, -0.0699881100000000 ] - [ 0.0006916100000000, 0.0007724100000000, -0.0039447000000000 ] - [ 0.0332403100000000, -0.0089151800000000, -0.1347117400000000 ] - [ 0.0001648500000000, -0.0007730400000000, -0.0046299800000000 ] - [ -0.0014636700000000, -0.0001137100000000, 0.0071523300000000 ] - [ -0.0006932300000000, 0.0007685900000000, 0.0037459800000000 ] - [ -0.0033079000000000, -0.0018876500000000, 0.0005488300000000 ] - [ -0.0032854600000000, 0.0015877300000000, 0.0005353900000000 ] - [ 0.0006439700000000, -0.0004593700000000, 0.0065828300000000 ] - [ 0.0008706300000000, -0.0000060700000000, 0.0027424900000000 ] - [ 0.0013597700000000, -0.0002520000000000, 0.0032451200000000 ] - [ 0.0008190500000000, 0.0004218200000000, 0.0027400000000000 ] - [ 0.0017932200000000, 0.0012215000000000, 0.0011101400000000 ] - [ 0.0014514300000000, -0.0013284600000000, 0.0012095100000000 ] - [ -0.0009046900000000, 0.0007974300000000, -0.0042693200000000 ] - [ -0.0016311400000000, -0.0007870300000000, -0.0032647800000000 ] - [ -0.0024650100000000, 0.0159569400000000, -0.0355972900000000 ] - [ -0.0006440400000000, -0.0011659600000000, 0.0019148700000000 ] - [ 0.0013120000000000, 0.0012175400000000, 0.0005774200000000 ] - [ 0.0019629500000000, -0.0007226600000000, 0.0005127000000000 ] - [ -0.0008091000000000, -0.0002104600000000, -0.0015904700000000 ] - [ -0.0007861400000000, -0.0005808600000000, -0.0010123300000000 ] - [ 0.0319683700000000, -0.0030045800000000, -0.0211324100000000 ] - [ 0.0006053200000000, 0.0001678800000000, 0.0009324700000000 ] - [ -0.0020209000000000, -0.0009344200000000, -0.0009995800000000 ] - [ -0.0017345600000000, 0.0009056100000000, -0.0009729900000000 ] - [ 0.0008854500000000, -0.0004659800000000, -0.0028044300000000 ] - [ 0.0008410300000000, -0.0009273300000000, -0.0022806000000000 ] - [ -0.0033062200000000, -0.0192937500000000, -0.0220579100000000 ] - [ -0.0005453100000000, 0.0013630600000000, 0.0011664300000000 ] - [ -0.0003996600000000, 0.0013373600000000, -0.0028694700000000 ] - [ -0.0003292200000000, 0.0010179600000000, -0.0025340600000000 ] - [ 0.0020934100000000, 0.0014298000000000, -0.0001169100000000 ] - [ 0.0020046200000000, -0.0014595600000000, -0.0000864400000000 ] - [ 0.0000304200000000, -0.0003503400000000, -0.0015202500000000 ] - [ -0.0000224400000000, 0.0009323100000000, -0.0013157000000000 ] - [ -0.0000653600000000, -0.0004110500000000, -0.0003273500000000 ] - [ 0.0000150200000000, 0.0009900700000000, -0.0006501200000000 ] - [ 0.0005711900000000, 0.0002530100000000, -0.0038372500000000 ] - [ 0.0002994600000000, 0.0010799400000000, -0.0012422400000000 ] - [ 0.0018872100000000, -0.0011077400000000, 0.0009006000000000 ] - [ 0.0019488000000000, 0.0006993900000000, 0.0003220400000000 ] - [ 0.0016789000000000, 0.0002621100000000, 0.0009897600000000 ] - [ 0.0014221300000000, -0.0014020700000000, 0.0013158500000000 ] - [ 0.0000461800000000, -0.0000271100000000, 0.0022023000000000 ] - [ -0.0002025500000000, -0.0006758300000000, 0.0015333600000000 ] - [ 0.0348186900000000, -0.0022882800000000, -0.0333672100000000 ] - [ 0.0000559700000000, 0.0018988300000000, 0.0021415100000000 ] - [ 0.0008794200000000, 0.0001483800000000, 0.0018083000000000 ] - [ 0.0005369600000000, 0.0004446700000000, 0.0012708700000000 ] - [ -0.0006303600000000, -0.0000557600000000, -0.0023170500000000 ] - [ -0.0003497400000000, -0.0001250900000000, -0.0011620600000000 ] - [ -0.0005473400000000, 0.0007774300000000, -0.0040008700000000 ] - [ -0.0005365600000000, 0.0014380900000000, -0.0021243700000000 ] - [ 0.0002616000000000, -0.0017858800000000, 0.0020456000000000 ] - [ 0.0161169600000000, 0.0268859700000000, -0.0041923800000000 ] - [ -0.0001418300000000, 0.0001009600000000, -0.0023301600000000 ] - [ -0.0000648100000000, 0.0000624200000000, -0.0011117500000000 ] - [ 0.0105069700000000, 0.0013352600000000, 0.0137725300000000 ] - [ 0.0006825600000000, -0.0001419500000000, 0.0019860400000000 ] - [ -0.0005431100000000, -0.0002550200000000, -0.0028009400000000 ] - [ -0.0005168700000000, -0.0012052300000000, -0.0014111300000000 ] - [ -0.1621790100000000, -0.0268612000000000, 0.3094268500000000 ] - [ -0.0017811200000000, -0.0001782500000000, 0.0028390100000000 ] - [ -0.0020566500000000, 0.0005476900000000, -0.0021945800000000 ] - [ -0.0015357300000000, -0.0008463400000000, -0.0016821100000000 ] - [ -0.0004709000000000, -0.0005888700000000, 0.0011191100000000 ] - [ 0.0000886600000000, 0.0004072300000000, 0.0007820600000000 ] - [ 0.0007159400000000, 0.0001066500000000, -0.0007021000000000 ] - [ 0.0009342100000000, -0.0004241000000000, -0.0006411400000000 ] - [ 0.0017000900000000, -0.0001418900000000, -0.0049608900000000 ] - [ 0.0007248700000000, -0.0001896600000000, -0.0028869900000000 ]