# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b2835c12-4a28-43ec-b02b-47600b1d7ae2/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 CaH12(ClO3)2 / P321 (150) / materials id 23914](https://mdr.nims.go.jp/datasets/8ae772e2-222c-4807-9cd7-840c9add7e30)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P321"  number: 150  Hall_symbol: "P 3 2\""supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.740417920000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.870208950000000,     6.703398560000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     3.864642050000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.233091930000000,  0.883204780000000,  0.475275660000000 ]    mass: 1.007940  - symbol: H  # 2    coordinates: [  0.650112840000000,  0.766908070000000,  0.475275660000000 ]    mass: 1.007940  - symbol: H  # 3    coordinates: [  0.116795220000000,  0.349887160000000,  0.475275660000000 ]    mass: 1.007940  - symbol: H  # 4    coordinates: [  0.766908070000000,  0.650112840000000,  0.524724340000000 ]    mass: 1.007940  - symbol: H  # 5    coordinates: [  0.349887160000000,  0.116795220000000,  0.524724340000000 ]    mass: 1.007940  - symbol: H  # 6    coordinates: [  0.883204780000000,  0.233091930000000,  0.524724340000000 ]    mass: 1.007940  - symbol: H  # 7    coordinates: [  0.559618420000000,  0.897767230000000,  0.894319940000000 ]    mass: 1.007940  - symbol: H  # 8    coordinates: [  0.338148810000000,  0.440381580000000,  0.894319940000000 ]    mass: 1.007940  - symbol: H  # 9    coordinates: [  0.102232770000000,  0.661851190000000,  0.894319940000000 ]    mass: 1.007940  - symbol: H  # 10    coordinates: [  0.897767230000000,  0.559618420000000,  0.105680060000000 ]    mass: 1.007940  - symbol: H  # 11    coordinates: [  0.661851190000000,  0.102232770000000,  0.105680060000000 ]    mass: 1.007940  - symbol: H  # 12    coordinates: [  0.440381580000000,  0.338148810000000,  0.105680060000000 ]    mass: 1.007940  - symbol: O  # 13    coordinates: [  0.786158920000000,  0.786158920000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.213841080000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.000000000000000,  0.213841080000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.313359400000000,  0.313359400000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.686640600000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.686640600000000,  0.000000000000000 ]    mass: 15.999400  - symbol: Cl # 19    coordinates: [  0.666666670000000,  0.333333330000000,  0.414446020000000 ]    mass: 35.453000  - symbol: Cl # 20    coordinates: [  0.333333330000000,  0.666666670000000,  0.585553980000000 ]    mass: 35.453000  - symbol: Ca # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 40.078000  reciprocal_lattice: # without 2pi  - [     0.129191990708429,     0.074589030360158,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.149178061105768,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.258756176396725 ] # c*unit_cell:  lattice:  - [     7.740417920000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.870208950000000,     6.703398560000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     3.864642050000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.233091930000000,  0.883204780000000,  0.475275660000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 2    coordinates: [  0.650112840000000,  0.766908070000000,  0.475275660000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 3    coordinates: [  0.116795220000000,  0.349887160000000,  0.475275660000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 4    coordinates: [  0.766908070000000,  0.650112840000000,  0.524724340000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 5    coordinates: [  0.349887160000000,  0.116795220000000,  0.524724340000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 6    coordinates: [  0.883204780000000,  0.233091930000000,  0.524724340000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 7    coordinates: [  0.559618420000000,  0.897767230000000,  0.894319940000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.338148810000000,  0.440381580000000,  0.894319940000000 ]    mass: 1.007940    reduced_to: 8  - symbol: H  # 9    coordinates: [  0.102232770000000,  0.661851190000000,  0.894319940000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 10    coordinates: [  0.897767230000000,  0.559618420000000,  0.105680060000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 11    coordinates: [  0.661851190000000,  0.102232770000000,  0.105680060000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 12    coordinates: [  0.440381580000000,  0.338148810000000,  0.105680060000000 ]    mass: 1.007940    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.786158920000000,  0.786158920000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.213841080000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.000000000000000,  0.213841080000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.313359400000000,  0.313359400000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.686640600000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.000000000000000,  0.686640600000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: Cl # 19    coordinates: [  0.666666670000000,  0.333333330000000,  0.414446020000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.333333330000000,  0.666666670000000,  0.585553980000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Ca # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 21supercell:  lattice:  - [     7.740417920000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.870208950000000,     6.703398560000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.729284100000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.233091930000000,  0.883204780000000,  0.237637830000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 2    coordinates: [  0.233091930000000,  0.883204780000000,  0.737637830000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 3    coordinates: [  0.650112840000000,  0.766908070000000,  0.237637830000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 4    coordinates: [  0.650112840000000,  0.766908070000000,  0.737637830000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 5    coordinates: [  0.116795220000000,  0.349887160000000,  0.237637830000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 6    coordinates: [  0.116795220000000,  0.349887160000000,  0.737637830000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 7    coordinates: [  0.766908070000000,  0.650112840000000,  0.262362170000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.766908070000000,  0.650112840000000,  0.762362170000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 9    coordinates: [  0.349887160000000,  0.116795220000000,  0.262362170000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 10    coordinates: [  0.349887160000000,  0.116795220000000,  0.762362170000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 11    coordinates: [  0.883204780000000,  0.233091930000000,  0.262362170000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 12    coordinates: [  0.883204780000000,  0.233091930000000,  0.762362170000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 13    coordinates: [  0.559618420000000,  0.897767230000000,  0.447159970000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.559618420000000,  0.897767230000000,  0.947159970000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 15    coordinates: [  0.338148810000000,  0.440381580000000,  0.447159970000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 16    coordinates: [  0.338148810000000,  0.440381580000000,  0.947159970000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 17    coordinates: [  0.102232770000000,  0.661851190000000,  0.447159970000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 18    coordinates: [  0.102232770000000,  0.661851190000000,  0.947159970000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 19    coordinates: [  0.897767230000000,  0.559618420000000,  0.052840030000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 20    coordinates: [  0.897767230000000,  0.559618420000000,  0.552840030000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 21    coordinates: [  0.661851190000000,  0.102232770000000,  0.052840030000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 22    coordinates: [  0.661851190000000,  0.102232770000000,  0.552840030000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 23    coordinates: [  0.440381580000000,  0.338148810000000,  0.052840030000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 24    coordinates: [  0.440381580000000,  0.338148810000000,  0.552840030000000 ]    mass: 1.007940    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.786158920000000,  0.786158920000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.786158920000000,  0.786158920000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.213841080000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.213841080000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.000000000000000,  0.213841080000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.000000000000000,  0.213841080000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.313359400000000,  0.313359400000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.313359400000000,  0.313359400000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.686640600000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.686640600000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.000000000000000,  0.686640600000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.686640600000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: Cl # 37    coordinates: [  0.666666670000000,  0.333333330000000,  0.207223010000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 38    coordinates: [  0.666666670000000,  0.333333330000000,  0.707223010000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 39    coordinates: [  0.333333330000000,  0.666666670000000,  0.292776990000000 ]    mass: 35.453000    reduced_to: 39  - symbol: Cl # 40    coordinates: [  0.333333330000000,  0.666666670000000,  0.792776990000000 ]    mass: 35.453000    reduced_to: 39  - symbol: Ca # 41    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 41  - symbol: Ca # 42    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 41born_effective_charge:- # 1 (H)  - [  0.584095210000000, -0.344850240000000,  0.081782420000000 ]  - [ -0.327423820000000,  0.750893120000000, -0.031907350000000 ]  - [  0.135787410000000, -0.083830570000000,  0.374845480000000 ]- # 2 (H)  - [  1.000296849607108,  0.087129692288752, -0.068523785583928 ]  - [  0.104556110354664,  0.334691480392892, -0.054871978204991 ]  - [ -0.140493108350979, -0.075680061776629,  0.374845480000000 ]- # 3 (H)  - [  0.418090435353898,  0.231580918871619, -0.013258634416072 ]  - [  0.249007338443071,  0.916897894646102,  0.086779328204991 ]  - [  0.004705698350979,  0.159510631776629,  0.374845480000000 ]- # 4 (H)  - [  0.418090434662962, -0.231580918871619,  0.013258634416072 ]  - [ -0.249007336954848,  0.916897895337038,  0.086779328165434 ]  - [ -0.004705697875070,  0.159510631776629,  0.374845480000000 ]- # 5 (H)  - [  0.584095211028882,  0.344850240000000, -0.081782420000000 ]  - [  0.327423820497652,  0.750893118971118, -0.031907349755997 ]  - [ -0.135787410250114, -0.083830570000000,  0.374845480000000 ]- # 6 (H)  - [  1.000296849347151, -0.087129692288752,  0.068523785583928 ]  - [ -0.104556112340539,  0.334691480652849, -0.054871978409436 ]  - [  0.140493108125183, -0.075680061776629,  0.374845480000000 ]- # 7 (H)  - [  0.328252180000000,  0.289182890000000,  0.178580550000000 ]  - [  0.312911640000000,  0.799583640000000,  0.300430790000000 ]  - [  0.182504370000000,  0.271332560000000,  0.589514970000000 ]- # 8 (H)  - [  0.421036195735392, -0.366480516867333,  0.170890421658233 ]  - [ -0.342751766093342,  0.706799624264608, -0.304870688185998 ]  - [  0.143728704409785, -0.293719700497789,  0.589514970000000 ]- # 9 (H)  - [  0.942465354211511,  0.041704502169773, -0.349470971658233 ]  - [  0.065433250733858,  0.185370465788489,  0.004439898185998 ]  - [ -0.326233074409785,  0.022387140497789,  0.589514970000000 ]- # 10 (H)  - [  0.421036196828809,  0.366480516867333, -0.170890421658233 ]  - [  0.342751766945935,  0.706799623171191, -0.304870687676136 ]  - [ -0.143728705286116, -0.293719700497789,  0.589514970000000 ]- # 11 (H)  - [  0.328252179137205, -0.289182890000000, -0.178580550000000 ]  - [ -0.312911638593754,  0.799583640862795,  0.300430790532806 ]  - [ -0.182504369190463,  0.271332560000000,  0.589514970000000 ]- # 12 (H)  - [  0.942465354087083, -0.041704502169773,  0.349470971658233 ]  - [ -0.065433252992697,  0.185370465912917,  0.004439897143330 ]  - [  0.326233074476578,  0.022387140497789,  0.589514970000000 ]- # 13 (O)  - [ -1.251582410000000,  0.084017260000000, -0.000212930000000 ]  - [  0.084017260000000, -1.154567640000000,  0.000122940000000 ]  - [  0.086129610000000, -0.049726950000000, -0.983830980000000 ]- # 14 (O)  - [ -1.106060250983638, -0.000000002169087, -0.000000004162951 ]  - [ -0.000000002468609, -1.300089799016362, -0.000245872788921 ]  - [ -0.000000002970518,  0.099453905402062, -0.983830980000000 ]- # 15 (O)  - [ -1.251582414016362, -0.084017257815805,  0.000212934162951 ]  - [ -0.084017257546500, -1.154567635983638,  0.000122932788921 ]  - [ -0.086129607029482, -0.049726955402062, -0.983830980000000 ]- # 16 (O)  - [ -1.291264300000000,  0.168149270000000, -0.217527930000000 ]  - [  0.168149270000000, -1.097102240000000,  0.125589810000000 ]  - [ -0.200960170000000,  0.116024410000000, -1.124064110000000 ]- # 17 (O)  - [ -1.000021215552191,  0.000000003505285, -0.000000000722589 ]  - [  0.000000002905833, -1.388345324447809, -0.251179618099431 ]  - [ -0.000000001698207, -0.232048817658196, -1.124064110000000 ]- # 18 (O)  - [ -1.291264294447808, -0.168149273475048,  0.217527930722589 ]  - [ -0.168149272936070, -1.097102245552191,  0.125589808099431 ]  - [  0.200960171698207,  0.116024407658196, -1.124064110000000 ]- # 19 (Cl)  - [ -1.328977550000000,  0.032327430000000,  0.000000000000000 ]  - [ -0.032327440000000, -1.328977550000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.924029780000000 ]- # 20 (Cl)  - [ -1.328977545671551, -0.032327437497093,  0.000000000000000 ]  - [  0.032327432502906, -1.328977554328449,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.924029780000000 ]- # 21 (Ca)  - [  2.461257520000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.461257520000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.385582170000000 ]dielectric_constant:  - [  2.652145100000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.652145100000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.468115090000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1629346600000000,  0.1636051000000000,  0.0239768200000000 ]  - [  -0.0004421300000000,  0.0001103300000000, -0.0001974300000000 ]  - [   0.0022280400000000,  0.0004571000000000, -0.0005308900000000 ]  - [   0.0001784100000000, -0.0000618400000000, -0.0001163300000000 ]  - [  -0.0007717900000000, -0.0022003600000000, -0.0008949100000000 ]  - [  -0.0000944600000000, -0.0000950600000000, -0.0000885300000000 ]  - [   0.0011780600000000,  0.0004263700000000,  0.0000750800000000 ]  - [   0.0003128400000000,  0.0000686500000000,  0.0004334300000000 ]  - [  -0.0134340800000000,  0.0194523300000000,  0.0025016300000000 ]  - [  -0.0000278300000000, -0.0001189100000000,  0.0003334700000000 ]  - [  -0.0007128500000000,  0.0002230900000000,  0.0001442000000000 ]  - [  -0.0000826200000000,  0.0001849400000000,  0.0002573000000000 ]  - [   0.0008734700000000,  0.0018868500000000,  0.0012322600000000 ]  - [  -0.0001917600000000,  0.0005619300000000, -0.0007707200000000 ]  - [   0.0021800500000000, -0.0027317600000000,  0.0021275700000000 ]  - [   0.0008461100000000, -0.0002222500000000, -0.0005147800000000 ]  - [  -0.0041859300000000,  0.0005755100000000,  0.0001137300000000 ]  - [  -0.0017543600000000, -0.0004457400000000,  0.0001658500000000 ]  - [   0.0010291400000000,  0.0007649700000000,  0.0001333900000000 ]  - [   0.0011186500000000,  0.0003326100000000,  0.0002936400000000 ]  - [  -0.0005070200000000,  0.0003344100000000,  0.0000346300000000 ]  - [  -0.0007242900000000, -0.0000500500000000,  0.0004212400000000 ]  - [  -0.0001130600000000, -0.0001564100000000,  0.0004606400000000 ]  - [   0.0002493600000000,  0.0004971100000000,  0.0000892200000000 ]  - [  -0.0028177800000000, -0.0002113700000000,  0.0002152600000000 ]  - [  -0.0005587200000000, -0.0000694200000000, -0.0002618600000000 ]  - [   0.1750139000000000, -0.1839924800000000, -0.0237284100000000 ]  - [   0.0002769500000000,  0.0002322100000000, -0.0002345700000000 ]  - [   0.0011415200000000,  0.0013582300000000,  0.0003162400000000 ]  - [  -0.0001577700000000,  0.0002518900000000, -0.0001959100000000 ]  - [  -0.0005929400000000,  0.0014133900000000, -0.0000076800000000 ]  - [  -0.0017792400000000,  0.0031006900000000, -0.0006076500000000 ]  - [  -0.0007150800000000, -0.0005574300000000,  0.0005747900000000 ]  - [  -0.0009630000000000, -0.0010645000000000, -0.0009209300000000 ]  - [  -0.0000300900000000, -0.0022598800000000, -0.0028928000000000 ]  - [   0.0009677500000000, -0.0018375400000000,  0.0009158300000000 ]  - [   0.0012703700000000,  0.0000892700000000,  0.0002443500000000 ]  - [  -0.0001823300000000, -0.0004412800000000,  0.0002508300000000 ]  - [  -0.0030888400000000,  0.0052955900000000, -0.0035009800000000 ]  - [   0.0004956700000000,  0.0001234900000000, -0.0005571800000000 ]  - [   0.0043079500000000, -0.0025910000000000,  0.0019551500000000 ]  - [   0.0031944200000000, -0.0022387900000000, -0.0012449900000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1662335900000000, -0.1731531300000000, -0.0254890300000000 ]  - [   0.0004767300000000, -0.0001602900000000, -0.0002697200000000 ]  - [  -0.0022685200000000, -0.0004543700000000,  0.0000569500000000 ]  - [  -0.0002386700000000,  0.0000552300000000, -0.0003498700000000 ]  - [   0.0007906700000000,  0.0022120900000000,  0.0004125700000000 ]  - [   0.0001232100000000,  0.0001525600000000, -0.0003766100000000 ]  - [  -0.0011528200000000, -0.0004970500000000,  0.0003916800000000 ]  - [  -0.0002853600000000, -0.0001254100000000,  0.0000368800000000 ]  - [   0.0135616400000000, -0.0198208900000000, -0.0020847900000000 ]  - [   0.0000630600000000,  0.0001686300000000,  0.0001381500000000 ]  - [   0.0006393300000000, -0.0002088200000000,  0.0003224700000000 ]  - [   0.0000156600000000, -0.0001785500000000,  0.0002114300000000 ]  - [  -0.0014804100000000, -0.0009080900000000, -0.0015191500000000 ]  - [  -0.0004313700000000,  0.0003950900000000,  0.0004536100000000 ]  - [  -0.0010134800000000,  0.0027480700000000, -0.0024008600000000 ]  - [   0.0002973300000000,  0.0002762200000000,  0.0001991800000000 ]  - [   0.0036412800000000, -0.0015606800000000, -0.0004253200000000 ]  - [   0.0012357800000000, -0.0005520300000000, -0.0004591300000000 ]  - [   0.0001073600000000, -0.0008270100000000,  0.0001684300000000 ]  - [   0.0000150200000000, -0.0003974800000000,  0.0000171800000000 ]  - [  -0.0001186500000000, -0.0012826800000000,  0.0002747400000000 ]  - [   0.0000964200000000, -0.0008989600000000, -0.0001085700000000 ]  - [  -0.0004076300000000,  0.0011570500000000, -0.0001486700000000 ]  - [  -0.0007605800000000,  0.0005193800000000,  0.0002216900000000 ]  - [   0.0026824500000000, -0.0000242200000000, -0.0002106300000000 ]  - [   0.0004275100000000, -0.0001537100000000,  0.0002599800000000 ]  - [  -0.1780327100000000,  0.1936284000000000,  0.0249023000000000 ]  - [  -0.0000282100000000, -0.0002310800000000,  0.0002304300000000 ]  - [  -0.0012888100000000, -0.0011089000000000, -0.0003093000000000 ]  - [   0.0000262900000000, -0.0000248500000000,  0.0001932400000000 ]  - [   0.0007951300000000, -0.0010186100000000, -0.0000000300000000 ]  - [   0.0019714500000000, -0.0026864700000000,  0.0005990100000000 ]  - [   0.0002898800000000,  0.0005487900000000, -0.0005652600000000 ]  - [   0.0005341600000000,  0.0010453600000000,  0.0009064100000000 ]  - [   0.0002118000000000,  0.0018816500000000,  0.0028986300000000 ]  - [  -0.0007379200000000,  0.0014675300000000, -0.0009363600000000 ]  - [  -0.0012736400000000, -0.0000840800000000,  0.0005785700000000 ]  - [   0.0001822900000000,  0.0004406000000000,  0.0005637100000000 ]  - [   0.0030084000000000, -0.0051080800000000,  0.0026043000000000 ]  - [  -0.0004931300000000, -0.0001234000000000, -0.0002644200000000 ]  - [  -0.0042665500000000,  0.0026249100000000, -0.0019487500000000 ]  - [  -0.0031479700000000,  0.0022672900000000,  0.0012249200000000 ]- atom:    1  displacement:    [  -0.0049999999873056,  0.0086602540451735,  0.0000000000000000 ]  forces:  - [   0.2380740000000000, -0.3421353400000000, -0.0425521300000000 ]  - [   0.0003592600000000, -0.0005942800000000, -0.0002663200000000 ]  - [  -0.0029043900000000, -0.0009611400000000,  0.0004679300000000 ]  - [  -0.0003187900000000, -0.0000196200000000, -0.0003986900000000 ]  - [   0.0006704000000000,  0.0029686400000000,  0.0003803500000000 ]  - [   0.0000981000000000,  0.0003140000000000, -0.0003870300000000 ]  - [  -0.0005713000000000,  0.0005261800000000,  0.0004491600000000 ]  - [   0.0000564300000000,  0.0000259200000000,  0.0001915500000000 ]  - [  -0.0103802900000000,  0.0134166800000000,  0.0015904200000000 ]  - [   0.0001624300000000,  0.0003581300000000, -0.0000147000000000 ]  - [   0.0007158900000000, -0.0003392900000000,  0.0003894500000000 ]  - [  -0.0000500200000000, -0.0000643000000000,  0.0001729600000000 ]  - [  -0.0012361600000000, -0.0020659900000000, -0.0015749700000000 ]  - [  -0.0003454500000000, -0.0000861800000000,  0.0000787600000000 ]  - [  -0.0010807200000000,  0.0035930500000000, -0.0027742300000000 ]  - [   0.0001401300000000,  0.0004886000000000,  0.0001176100000000 ]  - [   0.0029017400000000, -0.0004500300000000, -0.0029926900000000 ]  - [   0.0003070500000000, -0.0005099900000000,  0.0006655200000000 ]  - [   0.0012371400000000,  0.0010666700000000,  0.0001134300000000 ]  - [   0.0004090500000000,  0.0005159100000000,  0.0000770200000000 ]  - [   0.0003445800000000, -0.0008352500000000, -0.0000415300000000 ]  - [   0.0002038600000000, -0.0006849300000000,  0.0002068100000000 ]  - [  -0.0005612400000000,  0.0015431200000000, -0.0001737100000000 ]  - [  -0.0007805500000000,  0.0006270800000000,  0.0003226400000000 ]  - [   0.0029749600000000,  0.0004352600000000, -0.0003906600000000 ]  - [   0.0001863200000000,  0.0002072300000000,  0.0001635500000000 ]  - [  -0.2272548300000000,  0.3306858300000000,  0.0401114300000000 ]  - [   0.0000200100000000,  0.0000894300000000,  0.0003111200000000 ]  - [  -0.0000402100000000, -0.0017531600000000, -0.0003514500000000 ]  - [   0.0000976400000000, -0.0002694600000000,  0.0001974500000000 ]  - [   0.0009709900000000, -0.0015837100000000,  0.0002325900000000 ]  - [   0.0018546900000000, -0.0034796000000000,  0.0008876900000000 ]  - [   0.0000472100000000,  0.0007526100000000, -0.0002632900000000 ]  - [   0.0006128100000000,  0.0016655600000000,  0.0008156300000000 ]  - [  -0.0011387000000000,  0.0012488200000000, -0.0000863700000000 ]  - [  -0.0011872200000000,  0.0010949400000000,  0.0001659600000000 ]  - [  -0.0017354100000000, -0.0021720400000000,  0.0008698200000000 ]  - [  -0.0000635700000000, -0.0000987700000000,  0.0006098100000000 ]  - [   0.0062075500000000, -0.0039980900000000,  0.0033479900000000 ]  - [  -0.0000422300000000,  0.0000125300000000, -0.0003046100000000 ]  - [  -0.0048814500000000,  0.0001609300000000, -0.0034609400000000 ]  - [  -0.0040796800000000,  0.0003040800000000,  0.0030966600000000 ]- atom:    1  displacement:    [   0.0049999999873056, -0.0086602540451735,  0.0000000000000000 ]  forces:  - [  -0.2185645100000000,  0.3176903800000000,  0.0384125600000000 ]  - [  -0.0003218100000000,  0.0005405400000000, -0.0002012100000000 ]  - [   0.0029101300000000,  0.0009820700000000, -0.0009563300000000 ]  - [   0.0002536000000000,  0.0000113400000000, -0.0000635700000000 ]  - [  -0.0006564300000000, -0.0029790500000000, -0.0008646400000000 ]  - [  -0.0000692400000000, -0.0002504800000000, -0.0000761700000000 ]  - [   0.0006225300000000, -0.0005959600000000,  0.0000134800000000 ]  - [  -0.0000259400000000, -0.0000917800000000,  0.0002775300000000 ]  - [   0.0101443800000000, -0.0131530700000000, -0.0010673100000000 ]  - [  -0.0001193300000000, -0.0003024700000000,  0.0004866300000000 ]  - [  -0.0008053400000000,  0.0003580200000000,  0.0000739700000000 ]  - [  -0.0000260800000000,  0.0000743300000000,  0.0002962300000000 ]  - [   0.0006480200000000,  0.0030969200000000,  0.0013056900000000 ]  - [  -0.0002657300000000,  0.0010617000000000, -0.0003900800000000 ]  - [   0.0022634000000000, -0.0036435300000000,  0.0025405800000000 ]  - [   0.0010116600000000, -0.0004525900000000, -0.0004362000000000 ]  - [  -0.0035399200000000, -0.0005252200000000,  0.0027317400000000 ]  - [  -0.0008535800000000, -0.0004899500000000, -0.0009734100000000 ]  - [  -0.0001031200000000, -0.0011183200000000,  0.0001958800000000 ]  - [   0.0007363700000000, -0.0005647900000000,  0.0002320200000000 ]  - [  -0.0009657300000000, -0.0001234900000000,  0.0003504800000000 ]  - [  -0.0008262100000000, -0.0002725000000000,  0.0001005500000000 ]  - [   0.0000339900000000, -0.0005536200000000,  0.0004881500000000 ]  - [   0.0002649300000000,  0.0003848100000000, -0.0000161900000000 ]  - [  -0.0031959500000000, -0.0006890000000000,  0.0004015500000000 ]  - [  -0.0003301000000000, -0.0004483600000000, -0.0001685600000000 ]  - [   0.2085883100000000, -0.3067492800000000, -0.0363942300000000 ]  - [   0.0002481500000000, -0.0000872800000000, -0.0003158300000000 ]  - [  -0.0001075300000000,  0.0020319300000000,  0.0003619700000000 ]  - [  -0.0002341500000000,  0.0005078000000000, -0.0002025600000000 ]  - [  -0.0007624400000000,  0.0020232800000000, -0.0002401900000000 ]  - [  -0.0016678000000000,  0.0039721500000000, -0.0009035000000000 ]  - [  -0.0005117400000000, -0.0007679100000000,  0.0002705700000000 ]  - [  -0.0010929900000000, -0.0017085200000000, -0.0008386800000000 ]  - [   0.0013828000000000, -0.0016709500000000,  0.0000726400000000 ]  - [   0.0014580800000000, -0.0015324400000000, -0.0001637500000000 ]  - [   0.0017570300000000,  0.0021930500000000, -0.0000518200000000 ]  - [   0.0000608100000000,  0.0000958100000000,  0.0002098200000000 ]  - [  -0.0065435500000000,  0.0042399200000000, -0.0043285900000000 ]  - [   0.0000474600000000, -0.0000134300000000, -0.0005229800000000 ]  - [   0.0049729900000000, -0.0001640100000000,  0.0035442200000000 ]  - [   0.0041845800000000, -0.0003160800000000, -0.0031904500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0236416400000000, -0.0310027400000000, -0.0201244900000000 ]  - [   0.0000618200000000, -0.0000505800000000,  0.0008153400000000 ]  - [   0.0005840800000000,  0.0003897700000000, -0.0002906900000000 ]  - [  -0.0001912100000000, -0.0000804900000000, -0.0001945900000000 ]  - [  -0.0003999400000000, -0.0005444000000000, -0.0002905200000000 ]  - [   0.0000666000000000,  0.0001977000000000, -0.0001951000000000 ]  - [   0.0000742700000000, -0.0002503500000000, -0.0002804500000000 ]  - [   0.0001679400000000,  0.0001047900000000,  0.0007474400000000 ]  - [  -0.0022599400000000,  0.0029039700000000,  0.0004423300000000 ]  - [  -0.0000733700000000, -0.0001981700000000,  0.0004813200000000 ]  - [  -0.0001977800000000,  0.0000182700000000,  0.0000225900000000 ]  - [   0.0000229300000000,  0.0000124900000000,  0.0003949300000000 ]  - [   0.0004978400000000,  0.0005056800000000,  0.0002101600000000 ]  - [  -0.0007030700000000,  0.0006456600000000,  0.0001478000000000 ]  - [   0.0006967400000000, -0.0001975000000000,  0.0004979600000000 ]  - [   0.0003405500000000,  0.0001644800000000, -0.0002138000000000 ]  - [   0.0002196700000000, -0.0037560700000000,  0.0017356500000000 ]  - [  -0.0010655400000000,  0.0007024100000000,  0.0019058400000000 ]  - [   0.0011892100000000,  0.0010921300000000, -0.0010236500000000 ]  - [   0.0000716400000000, -0.0008841700000000,  0.0004976000000000 ]  - [  -0.0006017100000000, -0.0008957400000000,  0.0000390600000000 ]  - [  -0.0002746400000000, -0.0002148200000000,  0.0004245500000000 ]  - [   0.0001986400000000,  0.0004580400000000, -0.0000978200000000 ]  - [  -0.0003919800000000,  0.0006170400000000,  0.0001661600000000 ]  - [  -0.0006200600000000, -0.0002284600000000,  0.0005145900000000 ]  - [  -0.0000891300000000, -0.0000961700000000, -0.0004610700000000 ]  - [  -0.0200499900000000,  0.0301874300000000,  0.0147966600000000 ]  - [   0.0001112300000000,  0.0002184100000000, -0.0014477900000000 ]  - [   0.0003484600000000,  0.0004961200000000,  0.0001248500000000 ]  - [  -0.0001390500000000,  0.0000488900000000, -0.0002232300000000 ]  - [   0.0002073700000000, -0.0002274200000000,  0.0009097200000000 ]  - [  -0.0001097100000000,  0.0012415800000000,  0.0005565600000000 ]  - [   0.0001133100000000,  0.0000665500000000,  0.0000155600000000 ]  - [  -0.0006018200000000, -0.0001448300000000, -0.0003467200000000 ]  - [  -0.0022882100000000, -0.0030573000000000, -0.0018912100000000 ]  - [   0.0010529300000000,  0.0017757600000000, -0.0013333000000000 ]  - [  -0.0003845000000000, -0.0002368900000000,  0.0010323900000000 ]  - [   0.0002505200000000,  0.0001678900000000, -0.0001330000000000 ]  - [  -0.0013125400000000,  0.0009935400000000,  0.0016265500000000 ]  - [   0.0005481600000000, -0.0002360400000000, -0.0009882200000000 ]  - [   0.0032587900000000, -0.0029884800000000,  0.0004312200000000 ]  - [  -0.0019701400000000,  0.0022820300000000,  0.0009988100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0257944800000000,  0.0337815300000000,  0.0207709700000000 ]  - [  -0.0000124900000000, -0.0000155700000000, -0.0012837800000000 ]  - [  -0.0006556900000000, -0.0003990600000000, -0.0001720600000000 ]  - [   0.0001221800000000,  0.0000746500000000, -0.0002743600000000 ]  - [   0.0004370100000000,  0.0006155100000000, -0.0001723800000000 ]  - [  -0.0000344700000000, -0.0001319800000000, -0.0002748800000000 ]  - [  -0.0000453700000000,  0.0001895000000000,  0.0007462500000000 ]  - [  -0.0001425800000000, -0.0001705700000000, -0.0002815300000000 ]  - [   0.0023245700000000, -0.0028123900000000, -0.0000472900000000 ]  - [   0.0001197800000000,  0.0002670600000000, -0.0000144800000000 ]  - [   0.0001192100000000, -0.0000062600000000,  0.0004436600000000 ]  - [  -0.0000990400000000, -0.0000065000000000,  0.0000737900000000 ]  - [  -0.0011040300000000,  0.0004551900000000, -0.0005246800000000 ]  - [   0.0001021700000000,  0.0003233500000000, -0.0004475400000000 ]  - [   0.0004381900000000,  0.0002521600000000, -0.0008229600000000 ]  - [   0.0008000900000000, -0.0001266500000000, -0.0000883800000000 ]  - [  -0.0007404600000000,  0.0027053200000000, -0.0020486800000000 ]  - [   0.0005352500000000, -0.0017281800000000, -0.0022296800000000 ]  - [  -0.0000514500000000, -0.0011436500000000,  0.0013591500000000 ]  - [   0.0010646400000000,  0.0008348900000000, -0.0001910400000000 ]  - [  -0.0000054100000000, -0.0000687000000000,  0.0002732200000000 ]  - [  -0.0003279800000000, -0.0007515400000000, -0.0001235200000000 ]  - [  -0.0007304400000000,  0.0005527900000000,  0.0004119000000000 ]  - [  -0.0001483300000000,  0.0003937500000000,  0.0001337300000000 ]  - [   0.0004818900000000, -0.0000142600000000, -0.0005178800000000 ]  - [  -0.0000404500000000, -0.0001347700000000,  0.0004643800000000 ]  - [   0.0225191100000000, -0.0330802300000000, -0.0158641900000000 ]  - [   0.0001479300000000, -0.0002225700000000,  0.0014517400000000 ]  - [  -0.0004955700000000, -0.0002765900000000, -0.0001260100000000 ]  - [   0.0000127600000000,  0.0001736300000000,  0.0002243700000000 ]  - [   0.0000152500000000,  0.0006017300000000, -0.0009191800000000 ]  - [   0.0003406700000000, -0.0008785500000000, -0.0005256300000000 ]  - [  -0.0005468100000000, -0.0000682200000000, -0.0000255000000000 ]  - [   0.0001681600000000,  0.0001490100000000,  0.0003566600000000 ]  - [   0.0025449100000000,  0.0027107900000000,  0.0018658000000000 ]  - [  -0.0008388000000000, -0.0021317100000000,  0.0013485900000000 ]  - [   0.0003965100000000,  0.0002543800000000, -0.0002233700000000 ]  - [  -0.0002496100000000, -0.0001650600000000,  0.0009567700000000 ]  - [   0.0013061900000000, -0.0009913700000000, -0.0024238900000000 ]  - [  -0.0005568800000000,  0.0002407700000000,  0.0001691300000000 ]  - [  -0.0033022400000000,  0.0030044000000000, -0.0004106000000000 ]  - [   0.0019261200000000, -0.0022560300000000, -0.0010166200000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0012005500000000, -0.0004346000000000,  0.0005608000000000 ]  - [   0.0001505900000000, -0.0000075500000000, -0.0006358000000000 ]  - [  -0.0016239100000000, -0.0024293700000000, -0.0032874400000000 ]  - [  -0.0003419200000000, -0.0007481700000000,  0.0012165300000000 ]  - [   0.0007323500000000,  0.0022661900000000, -0.0001045100000000 ]  - [   0.0001232700000000,  0.0001924000000000, -0.0002433900000000 ]  - [   0.0002783700000000, -0.0007677300000000,  0.0004257200000000 ]  - [   0.0000982900000000,  0.0001942900000000,  0.0002699600000000 ]  - [  -0.0001636800000000, -0.0006113100000000,  0.0005320700000000 ]  - [  -0.0003806900000000, -0.0003279200000000,  0.0002073300000000 ]  - [   0.0005668900000000,  0.0008881100000000, -0.0004163200000000 ]  - [   0.0005121600000000,  0.0003680000000000,  0.0007236000000000 ]  - [  -0.1701299400000000, -0.1470346900000000, -0.0873308600000000 ]  - [  -0.0006218300000000,  0.0000758600000000,  0.0001485600000000 ]  - [  -0.0003470200000000,  0.0008921900000000, -0.0011341900000000 ]  - [   0.0003753800000000,  0.0001473000000000,  0.0002706700000000 ]  - [   0.0013573800000000,  0.0000913400000000, -0.0006952200000000 ]  - [  -0.0000979400000000, -0.0004214600000000,  0.0001706300000000 ]  - [   0.0008632900000000, -0.0000047000000000,  0.0002602400000000 ]  - [   0.0008991200000000,  0.0005292000000000, -0.0001811700000000 ]  - [  -0.0004228100000000, -0.0004643800000000,  0.0001493100000000 ]  - [  -0.0140329700000000, -0.0173032000000000, -0.0096959900000000 ]  - [  -0.0007081900000000,  0.0004418700000000,  0.0002529500000000 ]  - [  -0.0008361900000000,  0.0001704800000000, -0.0001737800000000 ]  - [  -0.0004560200000000,  0.0012592400000000,  0.0017475400000000 ]  - [  -0.0004110000000000, -0.0002021100000000, -0.0009061400000000 ]  - [  -0.0007592000000000,  0.0005493600000000, -0.0006375200000000 ]  - [   0.0000568300000000,  0.0001326700000000,  0.0003259100000000 ]  - [  -0.0011177700000000, -0.0017521500000000,  0.0001949000000000 ]  - [  -0.0004417600000000, -0.0000161800000000,  0.0000564600000000 ]  - [   0.0005551700000000, -0.0001730300000000, -0.0005790400000000 ]  - [   0.0008279200000000, -0.0003228800000000,  0.0007963800000000 ]  - [   0.0000874400000000,  0.0001936900000000, -0.0001100100000000 ]  - [   0.1772594800000000,  0.1682197300000000,  0.1002837400000000 ]  - [  -0.0005402300000000, -0.0003008600000000, -0.0003611800000000 ]  - [  -0.0013311300000000, -0.0007248700000000,  0.0005856700000000 ]  - [   0.0002788600000000,  0.0002698800000000,  0.0005218700000000 ]  - [   0.0014845600000000, -0.0018353800000000, -0.0007274100000000 ]  - [   0.0015181500000000, -0.0044614100000000, -0.0028099800000000 ]  - [   0.0005705400000000,  0.0001895200000000, -0.0005954900000000 ]  - [   0.0009996100000000,  0.0008264800000000,  0.0001809500000000 ]  - [   0.0039679900000000,  0.0024461500000000,  0.0007436500000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0011654900000000,  0.0003792000000000, -0.0010397600000000 ]  - [  -0.0001002200000000, -0.0000559800000000,  0.0001707500000000 ]  - [   0.0015357400000000,  0.0024159500000000,  0.0027900100000000 ]  - [   0.0002584600000000,  0.0007500700000000, -0.0016884500000000 ]  - [  -0.0007087600000000, -0.0022123700000000, -0.0003645800000000 ]  - [  -0.0000937400000000, -0.0001251500000000, -0.0002213600000000 ]  - [  -0.0002443500000000,  0.0006876000000000,  0.0000432800000000 ]  - [  -0.0000696100000000, -0.0002601300000000,  0.0001982600000000 ]  - [   0.0002136000000000,  0.0006796600000000, -0.0000657200000000 ]  - [   0.0004277400000000,  0.0003903000000000,  0.0002593500000000 ]  - [  -0.0006516700000000, -0.0008884500000000,  0.0008988100000000 ]  - [  -0.0005827300000000, -0.0003718200000000, -0.0002705000000000 ]  - [   0.1669874100000000,  0.1402157400000000,  0.0823754400000000 ]  - [   0.0000154800000000,  0.0008928000000000, -0.0004592400000000 ]  - [   0.0014925400000000, -0.0008553700000000,  0.0008419500000000 ]  - [   0.0007619700000000, -0.0001015300000000, -0.0005846200000000 ]  - [  -0.0019082200000000, -0.0011086900000000,  0.0003975900000000 ]  - [  -0.0004301500000000, -0.0005878100000000, -0.0004806500000000 ]  - [   0.0002759100000000, -0.0000420300000000,  0.0000443200000000 ]  - [   0.0002426500000000, -0.0005771400000000,  0.0004883900000000 ]  - [  -0.0001815500000000, -0.0005047100000000,  0.0001587100000000 ]  - [   0.0133308400000000,  0.0160385500000000,  0.0098250100000000 ]  - [   0.0001816100000000,  0.0005670400000000,  0.0000526500000000 ]  - [   0.0003063700000000,  0.0008397800000000,  0.0004806100000000 ]  - [   0.0003035300000000, -0.0014744600000000, -0.0017190700000000 ]  - [   0.0002840600000000, -0.0000375100000000,  0.0009036900000000 ]  - [   0.0010274400000000, -0.0005595100000000,  0.0006425100000000 ]  - [   0.0002055800000000, -0.0001326300000000, -0.0003273500000000 ]  - [   0.0009979000000000,  0.0019876200000000, -0.0002086600000000 ]  - [   0.0003277200000000,  0.0002565400000000, -0.0000328700000000 ]  - [  -0.0003357000000000,  0.0005584500000000,  0.0005883300000000 ]  - [  -0.0006093300000000,  0.0007104100000000, -0.0008054700000000 ]  - [  -0.0005301800000000, -0.0001956200000000,  0.0001144100000000 ]  - [  -0.1750455700000000, -0.1602937000000000, -0.0955650500000000 ]  - [   0.0007592600000000, -0.0000802900000000,  0.0003665400000000 ]  - [   0.0015621200000000,  0.0003439100000000, -0.0005942000000000 ]  - [  -0.0002864700000000, -0.0002598300000000,  0.0002916800000000 ]  - [  -0.0014777200000000,  0.0018188000000000,  0.0015285600000000 ]  - [  -0.0015332400000000,  0.0045913300000000,  0.0020800900000000 ]  - [  -0.0005758400000000, -0.0001935100000000, -0.0002124900000000 ]  - [  -0.0010054800000000, -0.0008165300000000, -0.0001981500000000 ]  - [  -0.0039619300000000, -0.0023889700000000, -0.0007027700000000 ]- atom:   13  displacement:    [  -0.0049999999873056,  0.0086602540451735,  0.0000000000000000 ]  forces:  - [   0.0006450200000000, -0.0017059900000000, -0.0006128700000000 ]  - [   0.0000402200000000, -0.0005761200000000,  0.0001060800000000 ]  - [  -0.0016766100000000, -0.0002353000000000,  0.0023138600000000 ]  - [  -0.0003240500000000, -0.0006483200000000, -0.0008862300000000 ]  - [   0.0000916500000000,  0.0019229500000000, -0.0001052600000000 ]  - [   0.0001754000000000,  0.0004450300000000, -0.0004618000000000 ]  - [  -0.0003987400000000,  0.0009458600000000,  0.0005047700000000 ]  - [  -0.0000904900000000,  0.0003278400000000,  0.0000758500000000 ]  - [  -0.0005807700000000,  0.0004042600000000, -0.0002756100000000 ]  - [  -0.0001375100000000,  0.0002165500000000,  0.0004808700000000 ]  - [   0.0006334800000000,  0.0009187000000000, -0.0003796200000000 ]  - [  -0.0002008400000000,  0.0005422500000000,  0.0007217500000000 ]  - [  -0.0410155400000000, -0.1111374600000000, -0.0620057800000000 ]  - [  -0.0005000500000000,  0.0000137600000000,  0.0001023200000000 ]  - [   0.0001837700000000,  0.0017807500000000, -0.0006877600000000 ]  - [   0.0004464500000000,  0.0002753200000000,  0.0001222600000000 ]  - [   0.0010386600000000, -0.0008127800000000, -0.0011160500000000 ]  - [   0.0000538300000000, -0.0005476900000000,  0.0002066700000000 ]  - [   0.0010108400000000,  0.0005697500000000,  0.0000774800000000 ]  - [   0.0006242200000000,  0.0003846200000000,  0.0000151200000000 ]  - [  -0.0002599800000000, -0.0005299500000000, -0.0001923600000000 ]  - [   0.0210810500000000,  0.0240828300000000,  0.0143685400000000 ]  - [  -0.0007140300000000,  0.0005706800000000,  0.0000576600000000 ]  - [  -0.0008123700000000,  0.0008285800000000,  0.0000614600000000 ]  - [   0.0012482600000000,  0.0000983800000000, -0.0009999200000000 ]  - [  -0.0002062700000000,  0.0006305500000000,  0.0000571600000000 ]  - [   0.0000412200000000,  0.0008032700000000,  0.0007973200000000 ]  - [   0.0001996200000000,  0.0002060700000000, -0.0005760900000000 ]  - [  -0.0006383500000000, -0.0014973000000000,  0.0004969500000000 ]  - [  -0.0007818600000000, -0.0009737700000000, -0.0008659000000000 ]  - [   0.0004776300000000, -0.0001587100000000, -0.0001987000000000 ]  - [   0.0005359400000000, -0.0011540800000000,  0.0004465600000000 ]  - [  -0.0001877500000000,  0.0005710900000000, -0.0001565400000000 ]  - [   0.0235088100000000,  0.0881002000000000,  0.0502741000000000 ]  - [  -0.0005405100000000, -0.0003857500000000, -0.0003965700000000 ]  - [  -0.0007358700000000,  0.0000814000000000,  0.0006320600000000 ]  - [   0.0001640900000000, -0.0011554100000000,  0.0009315600000000 ]  - [  -0.0004388600000000, -0.0003148100000000,  0.0006916300000000 ]  - [  -0.0036077900000000, -0.0007575400000000, -0.0024344800000000 ]  - [  -0.0001975800000000,  0.0002305900000000, -0.0004220300000000 ]  - [  -0.0000268900000000, -0.0005646500000000,  0.0006271300000000 ]  - [   0.0018725400000000, -0.0017956500000000, -0.0013955700000000 ]- atom:   13  displacement:    [   0.0049999999873056, -0.0086602540451735,  0.0000000000000000 ]  forces:  - [  -0.0006016000000000,  0.0016497100000000,  0.0001448700000000 ]  - [   0.0000127400000000,  0.0005102400000000, -0.0005749500000000 ]  - [   0.0016113400000000,  0.0002530200000000, -0.0028002600000000 ]  - [   0.0002393200000000,  0.0006489400000000,  0.0004187600000000 ]  - [  -0.0000573700000000, -0.0018536400000000, -0.0003638500000000 ]  - [  -0.0001456100000000, -0.0003767800000000, -0.0000025500000000 ]  - [   0.0004313200000000, -0.0010136700000000, -0.0000417700000000 ]  - [   0.0001194000000000, -0.0003968800000000,  0.0003910800000000 ]  - [   0.0006228700000000, -0.0003367800000000,  0.0007373800000000 ]  - [   0.0001845100000000, -0.0001530100000000, -0.0000119600000000 ]  - [  -0.0007061500000000, -0.0009230300000000,  0.0008609400000000 ]  - [   0.0001273000000000, -0.0005465300000000, -0.0002721900000000 ]  - [   0.0390709200000000,  0.1134367100000000,  0.0611650800000000 ]  - [  -0.0001080800000000,  0.0009523800000000, -0.0004136600000000 ]  - [   0.0009535500000000, -0.0017514700000000,  0.0003851300000000 ]  - [   0.0006892100000000, -0.0002259600000000, -0.0004330200000000 ]  - [  -0.0015741900000000, -0.0001939200000000,  0.0008211600000000 ]  - [  -0.0005781600000000, -0.0004633000000000, -0.0005207100000000 ]  - [   0.0001290600000000, -0.0006146100000000,  0.0002254600000000 ]  - [   0.0005169300000000, -0.0004319600000000,  0.0002919900000000 ]  - [  -0.0003427300000000, -0.0004404800000000,  0.0004968200000000 ]  - [  -0.0214740800000000, -0.0246779200000000, -0.0134648200000000 ]  - [   0.0001811400000000,  0.0004393000000000,  0.0002461500000000 ]  - [   0.0002853700000000,  0.0001826300000000,  0.0002505600000000 ]  - [  -0.0013790400000000, -0.0003432900000000,  0.0010067600000000 ]  - [   0.0000800100000000, -0.0008556400000000, -0.0000618800000000 ]  - [   0.0002206000000000, -0.0008082200000000, -0.0007928000000000 ]  - [   0.0000531100000000, -0.0002054100000000,  0.0005747800000000 ]  - [   0.0005170600000000,  0.0017240100000000, -0.0005110700000000 ]  - [   0.0006689500000000,  0.0012052600000000,  0.0008877500000000 ]  - [  -0.0002454100000000,  0.0005472200000000,  0.0002030900000000 ]  - [  -0.0003062200000000,  0.0015535900000000, -0.0004533200000000 ]  - [  -0.0002705600000000, -0.0005696300000000,  0.0001596200000000 ]  - [  -0.0229108300000000, -0.0898306400000000, -0.0503807500000000 ]  - [   0.0007679500000000, -0.0000088500000000,  0.0004070500000000 ]  - [   0.0009689500000000, -0.0004793800000000, -0.0006398100000000 ]  - [  -0.0001692100000000,  0.0011504800000000, -0.0001102600000000 ]  - [   0.0004277900000000,  0.0003127300000000,  0.0001112100000000 ]  - [   0.0036987000000000,  0.0007719400000000,  0.0016827400000000 ]  - [   0.0001944300000000, -0.0002380800000000, -0.0003818300000000 ]  - [   0.0000167900000000,  0.0005762900000000, -0.0006356700000000 ]  - [  -0.0019200900000000,  0.0018246400000000,  0.0013987900000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0013954500000000, -0.0008937300000000,  0.0001347200000000 ]  - [  -0.0005904600000000, -0.0001108700000000,  0.0000625400000000 ]  - [  -0.0028767200000000,  0.0013324400000000,  0.0016625900000000 ]  - [   0.0007918500000000, -0.0008454300000000,  0.0018403900000000 ]  - [   0.0004068400000000,  0.0028670200000000,  0.0004229600000000 ]  - [   0.0000928000000000, -0.0003364100000000, -0.0002957500000000 ]  - [  -0.0000138300000000,  0.0003321600000000, -0.0000223700000000 ]  - [   0.0001162900000000, -0.0001763600000000,  0.0002482800000000 ]  - [   0.0001475100000000, -0.0002658300000000,  0.0001201400000000 ]  - [  -0.0002379500000000,  0.0002472100000000,  0.0005065400000000 ]  - [  -0.0000035900000000,  0.0000504600000000, -0.0009556200000000 ]  - [   0.0000380500000000, -0.0001121200000000,  0.0005674300000000 ]  - [  -0.0861264400000000, -0.1209783300000000, -0.0806582400000000 ]  - [   0.0000017300000000,  0.0009597400000000,  0.0010503300000000 ]  - [  -0.0003907500000000,  0.0012059200000000, -0.0017670900000000 ]  - [   0.0009376000000000, -0.0005694700000000,  0.0007459500000000 ]  - [   0.0012483900000000, -0.0007611400000000, -0.0017665900000000 ]  - [  -0.0009776800000000, -0.0004175800000000,  0.0007461200000000 ]  - [   0.0006425900000000, -0.0001049300000000,  0.0006043400000000 ]  - [   0.0007086500000000,  0.0004439500000000, -0.0002198900000000 ]  - [  -0.0002999100000000, -0.0008806300000000,  0.0008290500000000 ]  - [   0.0095082200000000,  0.0101169900000000,  0.0069976800000000 ]  - [  -0.0002592400000000,  0.0006174000000000,  0.0005135000000000 ]  - [  -0.0006857900000000,  0.0003703600000000, -0.0001979000000000 ]  - [   0.0010718500000000, -0.0004170200000000,  0.0002826700000000 ]  - [  -0.0006963300000000,  0.0000463200000000, -0.0010778000000000 ]  - [  -0.0007005300000000,  0.0007233000000000,  0.0001432700000000 ]  - [   0.0005462300000000, -0.0001490800000000, -0.0004658000000000 ]  - [  -0.0012550000000000, -0.0022391000000000,  0.0013081100000000 ]  - [   0.0000099800000000,  0.0006869900000000, -0.0005285300000000 ]  - [   0.0000059600000000,  0.0003138400000000, -0.0010708400000000 ]  - [   0.0007276900000000, -0.0007519600000000,  0.0012698100000000 ]  - [  -0.0001569200000000,  0.0000406900000000, -0.0017757900000000 ]  - [   0.0762814000000000,  0.1143180200000000,  0.0718283200000000 ]  - [   0.0002913100000000, -0.0001501200000000, -0.0012065900000000 ]  - [  -0.0010019400000000, -0.0000285000000000,  0.0013544900000000 ]  - [   0.0000801700000000,  0.0001434200000000,  0.0003051000000000 ]  - [   0.0000425900000000, -0.0005970100000000,  0.0001473700000000 ]  - [  -0.0020984200000000, -0.0047699900000000,  0.0003214000000000 ]  - [   0.0006299300000000,  0.0010168100000000, -0.0020594000000000 ]  - [  -0.0002041500000000,  0.0000134600000000,  0.0017280800000000 ]  - [   0.0028525600000000, -0.0002909000000000, -0.0016730200000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0013618100000000,  0.0008431000000000, -0.0005999700000000 ]  - [   0.0006288300000000,  0.0000538200000000, -0.0005325300000000 ]  - [   0.0028504500000000, -0.0013448800000000, -0.0021212000000000 ]  - [  -0.0008459400000000,  0.0008274300000000, -0.0022955100000000 ]  - [  -0.0003773000000000, -0.0028194700000000, -0.0008990000000000 ]  - [  -0.0000651300000000,  0.0003918600000000, -0.0001715000000000 ]  - [   0.0000410200000000, -0.0003979400000000,  0.0004883100000000 ]  - [  -0.0000879600000000,  0.0000985300000000,  0.0002169400000000 ]  - [  -0.0000981200000000,  0.0003258700000000,  0.0003539400000000 ]  - [   0.0002862700000000, -0.0001805500000000, -0.0000415400000000 ]  - [  -0.0000843300000000, -0.0000431200000000,  0.0014274800000000 ]  - [  -0.0001144400000000,  0.0001120600000000, -0.0001215200000000 ]  - [   0.0835073700000000,  0.1191965300000000,  0.0821685300000000 ]  - [  -0.0006062100000000,  0.0000109900000000, -0.0013546600000000 ]  - [   0.0015446900000000, -0.0011722100000000,  0.0014747000000000 ]  - [   0.0002089400000000,  0.0006035500000000, -0.0010500600000000 ]  - [  -0.0017980200000000, -0.0002396600000000,  0.0014751300000000 ]  - [   0.0004340500000000, -0.0005901500000000, -0.0010496300000000 ]  - [   0.0004931700000000,  0.0000579300000000, -0.0002995700000000 ]  - [   0.0004298300000000, -0.0004917400000000,  0.0005251300000000 ]  - [  -0.0003097100000000, -0.0000771300000000, -0.0005255500000000 ]  - [  -0.0100129900000000, -0.0107472100000000, -0.0068290400000000 ]  - [  -0.0002688900000000,  0.0003922700000000, -0.0002084500000000 ]  - [   0.0001601700000000,  0.0006388200000000,  0.0005040200000000 ]  - [  -0.0011977200000000,  0.0001765500000000, -0.0003088500000000 ]  - [   0.0005560500000000, -0.0002708800000000,  0.0010807100000000 ]  - [   0.0009678300000000, -0.0007295700000000, -0.0001532300000000 ]  - [  -0.0002795000000000,  0.0001427900000000,  0.0004714000000000 ]  - [   0.0011244300000000,  0.0024805700000000, -0.0013072200000000 ]  - [  -0.0001192700000000, -0.0004368400000000,  0.0005608000000000 ]  - [   0.0002064000000000,  0.0000729100000000,  0.0010723600000000 ]  - [  -0.0005188900000000,  0.0011433300000000, -0.0012788400000000 ]  - [  -0.0002881600000000, -0.0000510100000000,  0.0017831500000000 ]  - [  -0.0748763100000000, -0.1120256300000000, -0.0735144700000000 ]  - [  -0.0000603600000000, -0.0002290200000000,  0.0012056000000000 ]  - [   0.0012370500000000, -0.0003567400000000, -0.0013611200000000 ]  - [  -0.0000782400000000, -0.0001408800000000,  0.0005061200000000 ]  - [  -0.0000616100000000,  0.0006147000000000,  0.0006887800000000 ]  - [   0.0021551700000000,  0.0048787100000000, -0.0011532300000000 ]  - [  -0.0006210600000000, -0.0009991500000000,  0.0012249000000000 ]  - [   0.0002064500000000, -0.0000125700000000, -0.0017332300000000 ]  - [  -0.0029061700000000,  0.0002940100000000,  0.0016819400000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0027309700000000,  0.0019491000000000, -0.0007905000000000 ]  - [  -0.0004671100000000, -0.0000145600000000, -0.0002543700000000 ]  - [   0.3698876300000000,  0.0660809200000000,  0.0360024300000000 ]  - [   0.0000998600000000, -0.0002272300000000, -0.0000302800000000 ]  - [   0.0000643600000000, -0.0018759700000000, -0.0007763100000000 ]  - [  -0.0001691100000000, -0.0001533500000000, -0.0001387700000000 ]  - [   0.0906330300000000, -0.1409852600000000,  0.0170898400000000 ]  - [   0.0003045100000000,  0.0001157000000000,  0.0004129100000000 ]  - [   0.0012429000000000, -0.0007166500000000, -0.0001920400000000 ]  - [  -0.0000664800000000, -0.0001107500000000,  0.0003060500000000 ]  - [  -0.0010857600000000,  0.0008783000000000,  0.0000552800000000 ]  - [   0.0001178900000000,  0.0004218100000000,  0.0002025400000000 ]  - [  -0.0006595300000000,  0.0017890100000000,  0.0009813300000000 ]  - [  -0.0006485300000000,  0.0001142900000000, -0.0007729000000000 ]  - [   0.0013137000000000, -0.0014761000000000,  0.0008971400000000 ]  - [   0.0007086100000000, -0.0002311900000000, -0.0004843900000000 ]  - [  -0.0040988800000000, -0.0002344200000000,  0.0024883700000000 ]  - [  -0.0018776100000000, -0.0010815800000000, -0.0006776200000000 ]  - [   0.0001037700000000,  0.0013033600000000,  0.0009740500000000 ]  - [   0.0012812400000000,  0.0005031100000000, -0.0002962500000000 ]  - [  -0.0013540700000000,  0.0007872800000000,  0.0013374500000000 ]  - [  -0.0006878700000000,  0.0005753700000000,  0.0000917900000000 ]  - [   0.0004181300000000,  0.0001483100000000,  0.0003612500000000 ]  - [   0.0000314500000000,  0.0004252600000000,  0.0002321100000000 ]  - [  -0.5015686600000000,  0.0796066000000000, -0.0520563700000000 ]  - [  -0.0007510400000000, -0.0002251700000000, -0.0002292100000000 ]  - [   0.0055344800000000,  0.0038138900000000,  0.0007128700000000 ]  - [   0.0005287100000000,  0.0002275000000000, -0.0000452700000000 ]  - [  -0.0008383100000000, -0.0001078300000000,  0.0003935200000000 ]  - [  -0.0006399700000000,  0.0004520000000000, -0.0000605200000000 ]  - [  -0.0003861500000000,  0.0010631400000000,  0.0001844200000000 ]  - [  -0.0004221900000000,  0.0017451100000000, -0.0005435800000000 ]  - [   0.0021610800000000, -0.0034048700000000,  0.0028471800000000 ]  - [   0.0011239700000000, -0.0035661300000000, -0.0028519700000000 ]  - [   0.0054758100000000, -0.0012501300000000, -0.0037021600000000 ]  - [   0.0071805000000000, -0.0022770600000000,  0.0042279400000000 ]  - [   0.0001899400000000, -0.0056377700000000, -0.0008849500000000 ]  - [  -0.0000207900000000, -0.0007478100000000,  0.0002178900000000 ]  - [   0.0176371000000000,  0.0043755500000000, -0.0044862200000000 ]  - [   0.0009610900000000,  0.0002818700000000, -0.0005367200000000 ]  - [   0.0057577900000000, -0.0013672600000000, -0.0011485800000000 ]  - [   0.0057154700000000, -0.0009663900000000,  0.0009425900000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0027646200000000, -0.0020132700000000,  0.0003176900000000 ]  - [   0.0005168800000000, -0.0000531200000000, -0.0002110300000000 ]  - [  -0.4000780300000000, -0.0713252700000000, -0.0402214800000000 ]  - [  -0.0001761600000000,  0.0002217400000000, -0.0004392000000000 ]  - [  -0.0000299200000000,  0.0019334000000000,  0.0003072400000000 ]  - [   0.0002008900000000,  0.0002253600000000, -0.0003277400000000 ]  - [  -0.0927736700000000,  0.1385559300000000, -0.0164208000000000 ]  - [  -0.0002761900000000, -0.0001854200000000,  0.0000566000000000 ]  - [  -0.0011911700000000,  0.0007764600000000,  0.0006611800000000 ]  - [   0.0001138900000000,  0.0001758400000000,  0.0001605900000000 ]  - [   0.0010191500000000, -0.0009014900000000,  0.0004145800000000 ]  - [  -0.0001989900000000, -0.0004183800000000,  0.0002655300000000 ]  - [   0.0001005100000000, -0.0008026400000000, -0.0012918400000000 ]  - [   0.0000456200000000,  0.0008511600000000,  0.0004756500000000 ]  - [  -0.0001657300000000,  0.0015171200000000, -0.0011985000000000 ]  - [   0.0004319000000000,  0.0002802700000000,  0.0001782100000000 ]  - [   0.0035624200000000, -0.0007750700000000, -0.0027921000000000 ]  - [   0.0013515200000000,  0.0000651800000000,  0.0003574600000000 ]  - [   0.0010396200000000, -0.0013280600000000, -0.0006722600000000 ]  - [  -0.0001437700000000, -0.0005589500000000,  0.0006087300000000 ]  - [   0.0007610900000000, -0.0017743700000000, -0.0010386300000000 ]  - [   0.0000811100000000, -0.0015494100000000,  0.0002243800000000 ]  - [  -0.0009588100000000,  0.0008658400000000, -0.0000596700000000 ]  - [  -0.0005597400000000,  0.0005867100000000,  0.0000750200000000 ]  - [   0.5336640300000000, -0.0724288300000000,  0.0556090000000000 ]  - [   0.0006391400000000,  0.0000193700000000,  0.0002278900000000 ]  - [  -0.0051971300000000, -0.0037189500000000, -0.0007080200000000 ]  - [  -0.0002982400000000, -0.0002264900000000,  0.0000434700000000 ]  - [   0.0007362100000000,  0.0003203300000000, -0.0003945200000000 ]  - [   0.0005237500000000, -0.0002427000000000,  0.0000607500000000 ]  - [   0.0006202100000000, -0.0006710300000000, -0.0001804600000000 ]  - [   0.0006475400000000, -0.0013467400000000,  0.0005394200000000 ]  - [  -0.0026781800000000,  0.0034595400000000, -0.0029206800000000 ]  - [  -0.0016482000000000,  0.0036135400000000,  0.0029126700000000 ]  - [  -0.0051849800000000,  0.0008194200000000,  0.0036414900000000 ]  - [  -0.0069035600000000,  0.0018513300000000, -0.0041709200000000 ]  - [  -0.0002181600000000,  0.0057544900000000,  0.0017276300000000 ]  - [   0.0000158400000000,  0.0007554600000000,  0.0005958400000000 ]  - [  -0.0175944200000000, -0.0043730200000000,  0.0036497000000000 ]  - [  -0.0009652200000000, -0.0002866300000000, -0.0002788300000000 ]  - [  -0.0058232100000000,  0.0013567300000000,  0.0011373600000000 ]  - [  -0.0057724400000000,  0.0009745700000000, -0.0009214100000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0002336200000000, -0.0003645400000000,  0.0002824300000000 ]  - [  -0.0002375900000000,  0.0000094800000000, -0.0006957900000000 ]  - [   0.0397250500000000,  0.0066004600000000,  0.0156324200000000 ]  - [   0.0002827000000000,  0.0000824100000000, -0.0016841000000000 ]  - [   0.0000607700000000,  0.0004201700000000, -0.0001081500000000 ]  - [   0.0000105400000000, -0.0001926000000000, -0.0004569600000000 ]  - [   0.0136185600000000, -0.0344428300000000,  0.0150348700000000 ]  - [   0.0000917400000000, -0.0003447400000000, -0.0012145800000000 ]  - [  -0.0002921800000000, -0.0001985800000000,  0.0003598900000000 ]  - [   0.0002168800000000,  0.0001503200000000,  0.0000098000000000 ]  - [   0.0003603300000000, -0.0000150400000000,  0.0007506400000000 ]  - [  -0.0002050100000000,  0.0002102000000000, -0.0002287300000000 ]  - [   0.0014330300000000,  0.0003262200000000,  0.0001490400000000 ]  - [  -0.0012054900000000,  0.0000250000000000, -0.0012304400000000 ]  - [   0.0013719600000000,  0.0002998300000000, -0.0000004500000000 ]  - [  -0.0000019800000000, -0.0000209200000000, -0.0006200700000000 ]  - [  -0.0009766700000000, -0.0006779600000000,  0.0011597200000000 ]  - [   0.0005711400000000,  0.0000296000000000, -0.0006956800000000 ]  - [   0.0015720900000000, -0.0014407900000000,  0.0004433000000000 ]  - [   0.0005052900000000,  0.0009895500000000, -0.0009271800000000 ]  - [  -0.0005023200000000,  0.0002118500000000,  0.0014563000000000 ]  - [  -0.0003487900000000, -0.0014647300000000, -0.0003934000000000 ]  - [  -0.0001158400000000, -0.0003186900000000,  0.0002980700000000 ]  - [  -0.0005158300000000,  0.0010291300000000, -0.0003165800000000 ]  - [  -0.0553331200000000,  0.0283064900000000, -0.0446185000000000 ]  - [  -0.0002961100000000,  0.0000149800000000,  0.0046562900000000 ]  - [   0.0004576800000000,  0.0006378600000000, -0.0016647900000000 ]  - [   0.0001530200000000, -0.0000609600000000,  0.0017239200000000 ]  - [  -0.0004639400000000, -0.0004719400000000, -0.0016628100000000 ]  - [  -0.0000077600000000,  0.0001345100000000,  0.0017246800000000 ]  - [  -0.0002266100000000, -0.0002371100000000,  0.0000489600000000 ]  - [   0.0003113900000000,  0.0007045100000000,  0.0000438600000000 ]  - [   0.0037925300000000, -0.0042712500000000,  0.0020977400000000 ]  - [  -0.0034489100000000,  0.0038556100000000,  0.0023065900000000 ]  - [  -0.0048107200000000,  0.0006632300000000,  0.0023004300000000 ]  - [   0.0058705700000000, -0.0015347600000000,  0.0021088200000000 ]  - [  -0.0003297600000000,  0.0013141300000000, -0.0018331200000000 ]  - [  -0.0001615100000000, -0.0000152400000000,  0.0015078500000000 ]  - [  -0.0012189700000000, -0.0003483100000000, -0.0026843300000000 ]  - [  -0.0000729200000000,  0.0001490300000000,  0.0006847600000000 ]  - [   0.0014067300000000,  0.0024634100000000,  0.0029687500000000 ]  - [  -0.0012735700000000, -0.0022070200000000,  0.0032865400000000 ]- atom:   31  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006664200000000,  0.0005831200000000, -0.0001371000000000 ]  - [  -0.0018534400000000,  0.0009397900000000, -0.0004546800000000 ]  - [   0.0004881600000000, -0.0000560000000000, -0.0003414200000000 ]  - [   0.0010110500000000,  0.0000068500000000, -0.0001686300000000 ]  - [  -0.0012251800000000,  0.0014758000000000,  0.0034622700000000 ]  - [  -0.0005348400000000,  0.0008813900000000, -0.0023963000000000 ]  - [   0.0005972800000000, -0.0018654200000000, -0.0000857900000000 ]  - [   0.0000666200000000, -0.0009236700000000,  0.0004602700000000 ]  - [   0.0008705000000000,  0.0010508400000000, -0.0007339400000000 ]  - [  -0.0000765900000000,  0.0015530000000000,  0.0026673600000000 ]  - [  -0.0041354800000000,  0.0016174200000000, -0.0007949300000000 ]  - [  -0.0020348000000000,  0.0004830500000000,  0.0006373700000000 ]  - [   0.0001400900000000,  0.0011494200000000, -0.0002564800000000 ]  - [   0.0004156200000000,  0.0013826700000000,  0.0004733600000000 ]  - [   0.0010376800000000, -0.0002611300000000, -0.0001485700000000 ]  - [   0.0671332200000000, -0.1001694600000000,  0.0600309500000000 ]  - [  -0.0011696200000000, -0.0005410200000000, -0.0002783200000000 ]  - [  -0.0016330600000000,  0.0000759700000000,  0.0002688800000000 ]  - [  -0.0008174600000000, -0.0017545500000000,  0.0012818000000000 ]  - [   0.0000755400000000, -0.0009366200000000,  0.0000041900000000 ]  - [  -0.0017536900000000,  0.0013427600000000,  0.0012686200000000 ]  - [  -0.0009569500000000,  0.0006621200000000, -0.0000172300000000 ]  - [   0.3292513800000000,  0.0850417600000000,  0.1427197000000000 ]  - [   0.0005847000000000,  0.0003920600000000,  0.0002284800000000 ]  - [  -0.0005694000000000,  0.0014482100000000, -0.0003395800000000 ]  - [  -0.0006043100000000,  0.0007367700000000,  0.0002018800000000 ]  - [  -0.0005174800000000, -0.0024341800000000,  0.0017549700000000 ]  - [   0.0000902300000000, -0.0020151000000000, -0.0017116500000000 ]  - [   0.0069497900000000,  0.0008614200000000, -0.0056867100000000 ]  - [   0.0052392900000000,  0.0014172600000000,  0.0048927600000000 ]  - [  -0.4280414400000000,  0.0168698900000000, -0.2192118800000000 ]  - [  -0.0012624000000000,  0.0005236200000000,  0.0004304100000000 ]  - [   0.0008369500000000, -0.0012956500000000, -0.0009967700000000 ]  - [   0.0002204000000000, -0.0011056100000000,  0.0004010600000000 ]  - [   0.0011447900000000,  0.0011184900000000, -0.0009031100000000 ]  - [   0.0009822300000000,  0.0006675900000000,  0.0003838300000000 ]  - [   0.0161450000000000, -0.0008455800000000,  0.0103781500000000 ]  - [   0.0027315900000000, -0.0000562300000000, -0.0014743900000000 ]  - [   0.0002607100000000, -0.0015997700000000, -0.0014569300000000 ]  - [   0.0022481300000000, -0.0078485400000000,  0.0043166300000000 ]  - [   0.0080818700000000,  0.0028290000000000,  0.0020869800000000 ]  - [   0.0012497400000000, -0.0014017500000000, -0.0007555400000000 ]- atom:   31  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007018400000000, -0.0006365700000000, -0.0003309300000000 ]  - [   0.0018782600000000, -0.0009813700000000, -0.0000064900000000 ]  - [  -0.0005564700000000,  0.0000475700000000, -0.0001268800000000 ]  - [  -0.0010661100000000, -0.0000122100000000, -0.0002984800000000 ]  - [   0.0012435900000000, -0.0014056700000000, -0.0039502200000000 ]  - [   0.0005545100000000, -0.0008383900000000,  0.0019367600000000 ]  - [  -0.0005707100000000,  0.0018106000000000,  0.0005521400000000 ]  - [  -0.0000396400000000,  0.0008491600000000,  0.0000119800000000 ]  - [  -0.0008598500000000, -0.0009949700000000,  0.0011554100000000 ]  - [   0.0001434600000000, -0.0014787000000000, -0.0021637300000000 ]  - [   0.0040717100000000, -0.0016189700000000,  0.0012692600000000 ]  - [   0.0019483900000000, -0.0004735400000000, -0.0001741000000000 ]  - [  -0.0007499100000000, -0.0001867600000000, -0.0000536400000000 ]  - [  -0.0010201900000000, -0.0004055500000000, -0.0007702700000000 ]  - [   0.0001023000000000,  0.0003093300000000, -0.0001593100000000 ]  - [  -0.0637367500000000,  0.1003535500000000, -0.0603943400000000 ]  - [   0.0006389900000000, -0.0004662000000000, -0.0000315100000000 ]  - [   0.0010914300000000, -0.0010877000000000, -0.0005632100000000 ]  - [   0.0019604200000000,  0.0017141700000000, -0.0009856500000000 ]  - [   0.0010601800000000,  0.0008790500000000,  0.0003101500000000 ]  - [   0.0011421500000000, -0.0023119800000000, -0.0009730100000000 ]  - [   0.0003443800000000, -0.0016133700000000,  0.0003314200000000 ]  - [  -0.3091279900000000, -0.0786202500000000, -0.1292510600000000 ]  - [  -0.0011026400000000,  0.0006185500000000,  0.0000810100000000 ]  - [   0.0004366400000000, -0.0016813000000000,  0.0003410500000000 ]  - [   0.0004648500000000, -0.0009610700000000, -0.0002014400000000 ]  - [   0.0007778300000000,  0.0023977300000000, -0.0016906100000000 ]  - [   0.0001518400000000,  0.0020211400000000,  0.0016975300000000 ]  - [  -0.0071341600000000, -0.0006663600000000,  0.0057794500000000 ]  - [  -0.0054201500000000, -0.0012079700000000, -0.0049814700000000 ]  - [   0.4054843000000000, -0.0216840200000000,  0.2060645700000000 ]  - [   0.0014851800000000, -0.0001267000000000, -0.0004264800000000 ]  - [  -0.0012976100000000,  0.0012915600000000,  0.0009974100000000 ]  - [  -0.0006809100000000,  0.0010998300000000, -0.0004042000000000 ]  - [  -0.0009079700000000, -0.0015183500000000,  0.0009002000000000 ]  - [  -0.0007460500000000, -0.0010625000000000, -0.0003851700000000 ]  - [  -0.0162099300000000,  0.0008645700000000, -0.0095831800000000 ]  - [  -0.0027001000000000,  0.0000605100000000,  0.0022587500000000 ]  - [  -0.0002511400000000,  0.0015991400000000,  0.0006393100000000 ]  - [  -0.0021703900000000,  0.0077599400000000, -0.0050787600000000 ]  - [  -0.0080895300000000, -0.0030385100000000, -0.0020925100000000 ]  - [  -0.0012440400000000,  0.0014025600000000,  0.0007502800000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000194400000000,  0.0002335800000000,  0.0006850600000000 ]  - [  -0.0005835100000000,  0.0006486400000000,  0.0003082600000000 ]  - [  -0.0003046800000000, -0.0005113300000000, -0.0002135200000000 ]  - [   0.0007914300000000,  0.0005724700000000, -0.0005845200000000 ]  - [   0.0030023800000000, -0.0015839100000000, -0.0020913900000000 ]  - [  -0.0010690400000000,  0.0004626400000000, -0.0015694600000000 ]  - [  -0.0000740900000000, -0.0010361900000000, -0.0001177500000000 ]  - [   0.0003165700000000,  0.0004446200000000,  0.0002557700000000 ]  - [  -0.0009160400000000,  0.0007560400000000, -0.0011109700000000 ]  - [   0.0029184200000000, -0.0017187600000000, -0.0016645000000000 ]  - [  -0.0009375400000000,  0.0001779300000000,  0.0007754100000000 ]  - [  -0.0002789600000000, -0.0001307700000000,  0.0011450500000000 ]  - [  -0.0008874500000000, -0.0000865300000000, -0.0012247100000000 ]  - [   0.0005004700000000,  0.0014665900000000,  0.0011249000000000 ]  - [   0.0004154600000000,  0.0002362500000000, -0.0019354600000000 ]  - [   0.0500763200000000, -0.1405906200000000,  0.0734247000000000 ]  - [   0.0004986000000000, -0.0004807400000000, -0.0013596200000000 ]  - [  -0.0014957800000000, -0.0005307300000000,  0.0012074700000000 ]  - [   0.0001198300000000, -0.0012029000000000,  0.0014253400000000 ]  - [   0.0007705700000000,  0.0007688400000000, -0.0009175500000000 ]  - [  -0.0008908800000000,  0.0005881200000000,  0.0015092200000000 ]  - [   0.0000612100000000, -0.0011559700000000, -0.0010513000000000 ]  - [   0.1496494200000000,  0.0279831700000000,  0.0719222900000000 ]  - [  -0.0005434500000000,  0.0005307700000000, -0.0016221600000000 ]  - [   0.0001221500000000,  0.0006244200000000,  0.0000457500000000 ]  - [  -0.0006015200000000, -0.0006256500000000,  0.0000481700000000 ]  - [   0.0009204600000000, -0.0038157800000000,  0.0023279700000000 ]  - [  -0.0011867500000000,  0.0040697500000000,  0.0021151700000000 ]  - [  -0.0042810100000000, -0.0008021300000000,  0.0020914400000000 ]  - [   0.0035786200000000,  0.0013063900000000,  0.0022790300000000 ]  - [  -0.2131710100000000,  0.1214264200000000, -0.1652447100000000 ]  - [   0.0005350400000000, -0.0000624400000000,  0.0037143200000000 ]  - [  -0.0003133900000000, -0.0010955600000000, -0.0019301900000000 ]  - [  -0.0001985600000000,  0.0004537300000000,  0.0020643800000000 ]  - [   0.0010103300000000,  0.0004433300000000, -0.0019324300000000 ]  - [  -0.0002753200000000, -0.0004326100000000,  0.0020668700000000 ]  - [   0.0098810500000000, -0.0001107000000000,  0.0039053800000000 ]  - [  -0.0023507700000000, -0.0003429500000000,  0.0027000300000000 ]  - [  -0.0008960600000000,  0.0022254200000000,  0.0018975500000000 ]  - [   0.0050559200000000, -0.0085208100000000,  0.0031351000000000 ]  - [   0.0012255600000000, -0.0007106900000000,  0.0067360400000000 ]  - [  -0.0002134600000000,  0.0001286400000000, -0.0043404100000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0012900500000000, -0.0013155300000000, -0.0006233000000000 ]  - [  -0.0001572900000000, -0.0002089200000000,  0.0000163400000000 ]  - [  -0.0010577800000000,  0.0012261700000000, -0.0002500500000000 ]  - [  -0.0000905700000000,  0.0003609800000000, -0.0002148800000000 ]  - [  -0.0020378800000000, -0.0019830900000000,  0.0001723500000000 ]  - [  -0.0005690600000000,  0.0002402800000000, -0.0005012700000000 ]  - [   0.0025970100000000,  0.0019395900000000,  0.0004488100000000 ]  - [   0.0003567400000000,  0.0001795500000000,  0.0003022900000000 ]  - [  -0.0030447600000000, -0.0055639100000000,  0.0015556700000000 ]  - [   0.0005128600000000, -0.0002027800000000, -0.0003172400000000 ]  - [  -0.0067745200000000,  0.0030666900000000, -0.0012644500000000 ]  - [  -0.0000013800000000, -0.0001386800000000,  0.0007162600000000 ]  - [  -0.0000231300000000,  0.0008344700000000, -0.0000726900000000 ]  - [   0.0011764100000000,  0.0008312700000000, -0.0001037900000000 ]  - [  -0.0005119100000000,  0.0005410600000000, -0.0000705400000000 ]  - [   0.0005089800000000,  0.0027246800000000, -0.0007054100000000 ]  - [  -0.0008090900000000, -0.0012464700000000, -0.0003159600000000 ]  - [  -0.0015939000000000, -0.0003058700000000,  0.0003467900000000 ]  - [   0.0017714100000000, -0.0047412300000000,  0.0032521600000000 ]  - [   0.0008750600000000,  0.0000163000000000, -0.0004049900000000 ]  - [   0.0012398600000000,  0.0028330000000000,  0.0022625800000000 ]  - [   0.0002730400000000, -0.0005910700000000, -0.0004702100000000 ]  - [  -0.0059470900000000,  0.0001307000000000, -0.0051057200000000 ]  - [   0.0002827200000000,  0.0007057400000000,  0.0013383000000000 ]  - [   0.0001575300000000, -0.0058171700000000, -0.0003217200000000 ]  - [  -0.0000866000000000, -0.0004038400000000, -0.0001629300000000 ]  - [   0.0078542600000000,  0.0099756000000000, -0.0009396400000000 ]  - [   0.0002054400000000,  0.0008004000000000,  0.0000924000000000 ]  - [   0.0177447500000000, -0.0043033800000000,  0.0012757100000000 ]  - [   0.0008912500000000,  0.0002995400000000,  0.0000676500000000 ]  - [   0.0161461700000000,  0.0004358900000000,  0.0097864900000000 ]  - [   0.0028173100000000,  0.0000084600000000, -0.0023441700000000 ]  - [   0.0014602000000000, -0.0075183100000000, -0.0048555700000000 ]  - [  -0.0001739800000000, -0.0014792300000000,  0.0014760100000000 ]  - [   0.0022949200000000,  0.0087504400000000, -0.0050565300000000 ]  - [   0.0003599000000000,  0.0012828100000000,  0.0008851700000000 ]  - [  -0.0330358100000000,  0.0001413200000000,  0.0005152300000000 ]  - [  -0.0011619100000000,  0.0000003200000000,  0.0004127900000000 ]  - [   0.0008016100000000,  0.0006890300000000, -0.0004089400000000 ]  - [   0.0008006400000000, -0.0013626500000000, -0.0004121600000000 ]  - [  -0.0031487700000000, -0.0015613200000000,  0.0000083700000000 ]  - [  -0.0021926700000000,  0.0007291600000000, -0.0000092200000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0012534900000000,  0.0012463000000000,  0.0001582100000000 ]  - [   0.0002065500000000,  0.0001423500000000, -0.0004847600000000 ]  - [   0.0009751300000000, -0.0012437900000000, -0.0002159300000000 ]  - [   0.0000131400000000, -0.0003708800000000, -0.0002525500000000 ]  - [   0.0020674400000000,  0.0020295200000000, -0.0006432300000000 ]  - [   0.0006058300000000, -0.0001724200000000,  0.0000375400000000 ]  - [  -0.0026032700000000, -0.0019407600000000,  0.0000382100000000 ]  - [  -0.0003285300000000, -0.0002437100000000,  0.0001633300000000 ]  - [   0.0030511700000000,  0.0056376400000000, -0.0010618900000000 ]  - [  -0.0004759900000000,  0.0002662200000000,  0.0007871800000000 ]  - [   0.0067292100000000, -0.0030558700000000,  0.0017634000000000 ]  - [  -0.0000696000000000,  0.0001460100000000, -0.0002490800000000 ]  - [  -0.0005874100000000,  0.0001231400000000, -0.0002308100000000 ]  - [  -0.0017851700000000,  0.0001230600000000, -0.0002078200000000 ]  - [   0.0016517600000000, -0.0005047300000000, -0.0002369900000000 ]  - [   0.0006178800000000, -0.0027032400000000,  0.0003965500000000 ]  - [   0.0002794100000000,  0.0002388200000000,  0.0000089900000000 ]  - [   0.0010657000000000, -0.0007133500000000, -0.0006505900000000 ]  - [  -0.0005579400000000,  0.0047264600000000, -0.0029761400000000 ]  - [   0.0002726900000000, -0.0000520900000000,  0.0007149800000000 ]  - [  -0.0018121700000000, -0.0038406300000000, -0.0019899600000000 ]  - [  -0.0008732400000000, -0.0003818600000000,  0.0007810600000000 ]  - [   0.0053387300000000,  0.0009006800000000,  0.0053735200000000 ]  - [  -0.0008328900000000,  0.0003037400000000, -0.0010332600000000 ]  - [  -0.0002462600000000,  0.0055452400000000,  0.0003149800000000 ]  - [  -0.0000436400000000,  0.0001730200000000,  0.0001640700000000 ]  - [  -0.0076874000000000, -0.0101486400000000,  0.0009449600000000 ]  - [   0.0000560300000000, -0.0008027600000000, -0.0000949100000000 ]  - [  -0.0174855500000000,  0.0044031800000000, -0.0012454300000000 ]  - [  -0.0010315700000000, -0.0000782600000000, -0.0000725800000000 ]  - [  -0.0162085200000000, -0.0000816100000000, -0.0100027600000000 ]  - [  -0.0026118600000000,  0.0003717900000000,  0.0023814900000000 ]  - [  -0.0019296300000000,  0.0074943400000000,  0.0048407200000000 ]  - [  -0.0002773400000000,  0.0014816800000000, -0.0014768600000000 ]  - [  -0.0021228300000000, -0.0090902400000000,  0.0050347900000000 ]  - [  -0.0001520600000000, -0.0016743000000000, -0.0008879300000000 ]  - [   0.0331197900000000,  0.0001421800000000,  0.0005154500000000 ]  - [   0.0011633600000000,  0.0000003000000000,  0.0004075100000000 ]  - [  -0.0007951700000000, -0.0006765100000000, -0.0004041600000000 ]  - [  -0.0008059200000000,  0.0013745400000000, -0.0004084600000000 ]  - [   0.0031641700000000,  0.0016059300000000,  0.0000078800000000 ]  - [   0.0021994900000000, -0.0007004600000000, -0.0000087400000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0001442200000000,  0.0003968800000000,  0.0003935300000000 ]  - [  -0.0001358400000000,  0.0001040700000000, -0.0007798200000000 ]  - [   0.0004158200000000, -0.0000735400000000,  0.0003935300000000 ]  - [   0.0001580500000000,  0.0000656100000000, -0.0007798200000000 ]  - [  -0.0002716000000000, -0.0003233400000000,  0.0003935300000000 ]  - [  -0.0000222100000000, -0.0001696800000000, -0.0007798200000000 ]  - [   0.0008036800000000, -0.0040095800000000,  0.0022741200000000 ]  - [  -0.0000154500000000, -0.0001863700000000, -0.0003452000000000 ]  - [   0.0030705600000000,  0.0027008000000000,  0.0022741200000000 ]  - [   0.0001691300000000,  0.0000798000000000, -0.0003452000000000 ]  - [  -0.0038742400000000,  0.0013087900000000,  0.0022741200000000 ]  - [  -0.0001536800000000,  0.0001065700000000, -0.0003452000000000 ]  - [  -0.0001890700000000,  0.0011549400000000, -0.0002535700000000 ]  - [  -0.0014315300000000,  0.0001668000000000, -0.0004274300000000 ]  - [   0.0010947400000000, -0.0004137300000000, -0.0002535700000000 ]  - [   0.0008602200000000,  0.0011563400000000, -0.0004274300000000 ]  - [  -0.0009056700000000, -0.0007412000000000, -0.0002535700000000 ]  - [   0.0005713200000000, -0.0013231400000000, -0.0004274300000000 ]  - [   0.0026451900000000,  0.0040069200000000,  0.0008673700000000 ]  - [   0.0005907200000000,  0.0002083700000000, -0.0014880600000000 ]  - [   0.0021475000000000, -0.0042942600000000,  0.0008673700000000 ]  - [  -0.0001149100000000, -0.0006157700000000, -0.0014880600000000 ]  - [  -0.0047926900000000,  0.0002873500000000,  0.0008673700000000 ]  - [  -0.0004758100000000,  0.0004074000000000, -0.0014880600000000 ]  - [  -0.0013619400000000,  0.0038132800000000, -0.0022701900000000 ]  - [  -0.0002520400000000, -0.0000670500000000,  0.0010959300000000 ]  - [  -0.0026214300000000, -0.0030861100000000, -0.0022701900000000 ]  - [   0.0001840800000000, -0.0001847500000000,  0.0010959300000000 ]  - [   0.0039833700000000, -0.0007271700000000, -0.0022701900000000 ]  - [   0.0000679500000000,  0.0002517900000000,  0.0010959300000000 ]  - [   0.0100475900000000,  0.0005364000000000,  0.0035178200000000 ]  - [  -0.0017656200000000,  0.0003352900000000,  0.0023028100000000 ]  - [  -0.0054883300000000,  0.0084332600000000,  0.0035178200000000 ]  - [   0.0005924400000000, -0.0016967200000000,  0.0023028100000000 ]  - [  -0.0045592600000000, -0.0089696600000000,  0.0035178200000000 ]  - [   0.0011731800000000,  0.0013614300000000,  0.0023028100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0199377000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0054017400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0008893300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006313300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017992300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016671800000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0001929800000000, -0.0004648900000000, -0.0008621900000000 ]  - [   0.0001814600000000, -0.0001676400000000,  0.0003111400000000 ]  - [  -0.0004991000000000,  0.0000653200000000, -0.0008621900000000 ]  - [  -0.0002359100000000, -0.0000733300000000,  0.0003111400000000 ]  - [   0.0003061100000000,  0.0003995700000000, -0.0008621900000000 ]  - [   0.0000544500000000,  0.0002409700000000,  0.0003111400000000 ]  - [  -0.0007768900000000,  0.0039479900000000, -0.0017772400000000 ]  - [   0.0000489800000000,  0.0001095100000000,  0.0008111800000000 ]  - [  -0.0030306100000000, -0.0026468000000000, -0.0017772400000000 ]  - [  -0.0001193300000000, -0.0000123400000000,  0.0008111800000000 ]  - [   0.0038075000000000, -0.0013011900000000, -0.0017772400000000 ]  - [   0.0000703500000000, -0.0000971700000000,  0.0008111800000000 ]  - [  -0.0004186500000000, -0.0001865200000000, -0.0000472600000000 ]  - [   0.0008250600000000,  0.0007941200000000,  0.0001208000000000 ]  - [   0.0000477900000000,  0.0004558200000000, -0.0000472600000000 ]  - [   0.0002752000000000, -0.0011115900000000,  0.0001208000000000 ]  - [   0.0003708500000000, -0.0002693000000000, -0.0000472600000000 ]  - [  -0.0011002600000000,  0.0003174600000000,  0.0001208000000000 ]  - [  -0.0014754300000000, -0.0040162400000000, -0.0006145300000000 ]  - [   0.0005456900000000, -0.0002583400000000,  0.0017902200000000 ]  - [  -0.0027404500000000,  0.0032858900000000, -0.0006145300000000 ]  - [  -0.0004965800000000, -0.0003434100000000,  0.0017902200000000 ]  - [   0.0042158900000000,  0.0007303600000000, -0.0006145300000000 ]  - [  -0.0000491100000000,  0.0006017500000000,  0.0017902200000000 ]  - [   0.0012513200000000, -0.0040694300000000,  0.0022472400000000 ]  - [   0.0001287800000000, -0.0001430800000000, -0.0010954300000000 ]  - [   0.0028985700000000,  0.0031183800000000,  0.0022472400000000 ]  - [   0.0000595200000000,  0.0001830700000000, -0.0010954300000000 ]  - [  -0.0041498900000000,  0.0009510400000000,  0.0022472400000000 ]  - [  -0.0001883000000000, -0.0000399800000000, -0.0010954300000000 ]  - [  -0.0099219600000000, -0.0001534200000000, -0.0035218300000000 ]  - [   0.0019588000000000,  0.0000546600000000, -0.0022936500000000 ]  - [   0.0050938400000000, -0.0085159600000000, -0.0035218300000000 ]  - [  -0.0010267400000000,  0.0016690400000000, -0.0022936500000000 ]  - [   0.0048281100000000,  0.0086693700000000, -0.0035218300000000 ]  - [  -0.0009320600000000, -0.0017237000000000, -0.0022936500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0208734700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0045721500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000693100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014444400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018166700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016850900000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0043240500000000, -0.0032575400000000,  0.0030736300000000 ]  - [   0.0032050000000000, -0.0029761100000000, -0.0022049800000000 ]  - [   0.0025695500000000,  0.0035563500000000, -0.0044466400000000 ]  - [   0.0023027500000000,  0.0027163300000000,  0.0026852400000000 ]  - [  -0.0024232300000000, -0.0012498300000000,  0.0007110200000000 ]  - [  -0.0021522600000000, -0.0008017000000000, -0.0012206700000000 ]  - [  -0.0021522600000000,  0.0008017000000000,  0.0012206700000000 ]  - [  -0.0024232300000000,  0.0012498300000000, -0.0007110200000000 ]  - [   0.0032050000000000,  0.0029761100000000,  0.0022049800000000 ]  - [   0.0043240500000000,  0.0032575400000000, -0.0030736300000000 ]  - [   0.0023027500000000, -0.0027163300000000, -0.0026852400000000 ]  - [   0.0025695500000000, -0.0035563500000000,  0.0044466400000000 ]  - [   0.0006992800000000,  0.0010353300000000, -0.0003562200000000 ]  - [   0.0036050000000000,  0.0049337700000000,  0.0027093300000000 ]  - [   0.0000878900000000,  0.0000555300000000, -0.0000381400000000 ]  - [  -0.0019402300000000,  0.0013453700000000, -0.0018445200000000 ]  - [   0.0004391900000000, -0.0014967900000000, -0.0000608400000000 ]  - [   0.0031946000000000, -0.0032462200000000, -0.0013402800000000 ]  - [  -0.0019402300000000, -0.0013453700000000,  0.0018445200000000 ]  - [   0.0000878900000000, -0.0000555300000000,  0.0000381400000000 ]  - [   0.0036050000000000, -0.0049337700000000, -0.0027093300000000 ]  - [   0.0006992800000000, -0.0010353300000000,  0.0003562200000000 ]  - [   0.0031946000000000,  0.0032462200000000,  0.0013402800000000 ]  - [   0.0004391900000000,  0.0014967900000000,  0.0000608400000000 ]  - [   0.0057070500000000, -0.0010725300000000,  0.0013689600000000 ]  - [   0.0056520600000000, -0.0015135300000000, -0.0013793700000000 ]  - [   0.0039850100000000,  0.0001885300000000, -0.0025892100000000 ]  - [   0.0039850100000000, -0.0001885300000000,  0.0025892100000000 ]  - [   0.0056520600000000,  0.0015135300000000,  0.0013793700000000 ]  - [   0.0057070500000000,  0.0010725300000000, -0.0013689600000000 ]  - [   0.0082592700000000,  0.0032345400000000,  0.0012299200000000 ]  - [   0.0013600800000000, -0.0012099300000000, -0.0002161400000000 ]  - [   0.0123822700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0014047200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0082592700000000, -0.0032345400000000, -0.0012299200000000 ]  - [   0.0013600800000000,  0.0012099300000000,  0.0002161400000000 ]  - [  -0.0031529400000000,  0.0015664600000000,  0.0004032200000000 ]  - [  -0.0021964800000000, -0.0007228900000000,  0.0004130300000000 ]  - [  -0.0021964800000000,  0.0007228900000000, -0.0004130300000000 ]  - [  -0.0031529400000000, -0.0015664600000000, -0.0004032200000000 ]  - [  -0.0689087900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0091200300000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   41  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0042581200000000,  0.0031772800000000, -0.0034900300000000 ]  - [  -0.0031453300000000,  0.0029117700000000,  0.0016894700000000 ]  - [  -0.0026310500000000, -0.0035996900000000,  0.0040219800000000 ]  - [  -0.0023591900000000, -0.0027528200000000, -0.0031956500000000 ]  - [   0.0024498800000000,  0.0012909900000000, -0.0011985500000000 ]  - [   0.0021713700000000,  0.0008421000000000,  0.0007620000000000 ]  - [   0.0021713700000000, -0.0008421000000000, -0.0007620000000000 ]  - [   0.0024498800000000, -0.0012909900000000,  0.0011985500000000 ]  - [  -0.0031453300000000, -0.0029117700000000, -0.0016894700000000 ]  - [  -0.0042581200000000, -0.0031772800000000,  0.0034900300000000 ]  - [  -0.0023591900000000,  0.0027528200000000,  0.0031956500000000 ]  - [  -0.0026310500000000,  0.0035996900000000, -0.0040219800000000 ]  - [  -0.0013229300000000, -0.0000870600000000,  0.0000465600000000 ]  - [  -0.0043444000000000, -0.0040411700000000, -0.0030582500000000 ]  - [   0.0010493200000000,  0.0000054200000000, -0.0002742000000000 ]  - [   0.0030854300000000, -0.0012751600000000,  0.0015312700000000 ]  - [  -0.0009539300000000,  0.0004796300000000, -0.0002515600000000 ]  - [  -0.0036897600000000,  0.0021676000000000,  0.0010218600000000 ]  - [   0.0030854300000000,  0.0012751600000000, -0.0015312700000000 ]  - [   0.0010493200000000, -0.0000054200000000,  0.0002742000000000 ]  - [  -0.0043444000000000,  0.0040411700000000,  0.0030582500000000 ]  - [  -0.0013229300000000,  0.0000870600000000, -0.0000465600000000 ]  - [  -0.0036897600000000, -0.0021676000000000, -0.0010218600000000 ]  - [  -0.0009539300000000, -0.0004796300000000,  0.0002515600000000 ]  - [  -0.0058848200000000,  0.0007984700000000, -0.0013147900000000 ]  - [  -0.0058472900000000,  0.0012477700000000,  0.0013266700000000 ]  - [  -0.0034906900000000, -0.0001755700000000,  0.0027979900000000 ]  - [  -0.0034906900000000,  0.0001755700000000, -0.0027979900000000 ]  - [  -0.0058472900000000, -0.0012477700000000, -0.0013266700000000 ]  - [  -0.0058848200000000, -0.0007984700000000,  0.0013147900000000 ]  - [  -0.0079293000000000, -0.0026611400000000, -0.0012235700000000 ]  - [  -0.0011451800000000,  0.0015752200000000,  0.0002158200000000 ]  - [  -0.0139421400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009773800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0079293000000000,  0.0026611400000000,  0.0012235700000000 ]  - [  -0.0011451800000000, -0.0015752200000000, -0.0002158200000000 ]  - [   0.0031604100000000, -0.0016017800000000,  0.0004109800000000 ]  - [   0.0021950100000000,  0.0007069300000000,  0.0004226600000000 ]  - [   0.0021950100000000, -0.0007069300000000, -0.0004226600000000 ]  - [   0.0031604100000000,  0.0016017800000000, -0.0004109800000000 ]  - [   0.0696417600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0091041100000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0019797600000000, -0.0029602700000000,  0.0001852700000000 ]  - [  -0.0012024300000000,  0.0028754900000000,  0.0007661800000000 ]  - [  -0.0035535500000000, -0.0002343900000000,  0.0001852700000000 ]  - [   0.0030914700000000, -0.0003964100000000,  0.0007661800000000 ]  - [   0.0015737900000000,  0.0031946500000000,  0.0001852700000000 ]  - [  -0.0018890300000000, -0.0024790900000000,  0.0007661800000000 ]  - [   0.0019286800000000, -0.0025766400000000,  0.0012508300000000 ]  - [  -0.0015286600000000,  0.0031031700000000,  0.0006565000000000 ]  - [   0.0012671000000000,  0.0029586000000000,  0.0012508300000000 ]  - [  -0.0019230900000000, -0.0028754400000000,  0.0006565000000000 ]  - [  -0.0031957800000000, -0.0003819600000000,  0.0012508300000000 ]  - [   0.0034517500000000, -0.0002277300000000,  0.0006565000000000 ]  - [  -0.0001131400000000,  0.0013197300000000,  0.0015795200000000 ]  - [   0.0004184600000000, -0.0007045800000000, -0.0018168500000000 ]  - [   0.0011994900000000, -0.0005618900000000,  0.0015795200000000 ]  - [  -0.0008194100000000, -0.0000101100000000, -0.0018168500000000 ]  - [  -0.0010863500000000, -0.0007578400000000,  0.0015795200000000 ]  - [   0.0004009500000000,  0.0007146800000000, -0.0018168500000000 ]  - [   0.0019747200000000, -0.0000468700000000, -0.0015377000000000 ]  - [  -0.0000626500000000, -0.0006040300000000,  0.0018825400000000 ]  - [  -0.0010279500000000, -0.0016867200000000, -0.0015377000000000 ]  - [  -0.0004917800000000,  0.0003562700000000,  0.0018825400000000 ]  - [  -0.0009467700000000,  0.0017335900000000, -0.0015377000000000 ]  - [   0.0005544300000000,  0.0002477600000000,  0.0018825400000000 ]  - [  -0.0012637000000000, -0.0019509700000000,  0.0032955700000000 ]  - [   0.0008087200000000,  0.0016501000000000,  0.0029599000000000 ]  - [   0.0023214500000000, -0.0001189100000000,  0.0032955700000000 ]  - [  -0.0018333800000000, -0.0001246800000000,  0.0029599000000000 ]  - [  -0.0010577400000000,  0.0020698900000000,  0.0032955700000000 ]  - [   0.0010246700000000, -0.0015254200000000,  0.0029599000000000 ]  - [   0.0021856900000000, -0.0010407100000000,  0.0067360600000000 ]  - [  -0.0006467900000000,  0.0006183000000000, -0.0043405100000000 ]  - [  -0.0001915700000000,  0.0024132200000000,  0.0067360600000000 ]  - [  -0.0002120700000000, -0.0008692900000000, -0.0043405100000000 ]  - [  -0.0019941200000000, -0.0013725100000000,  0.0067360600000000 ]  - [   0.0008588600000000,  0.0002509800000000, -0.0043405100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022240700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012746300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020743400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013907000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0603975300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0252797700000000 ]