# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/129de5e8-5bfb-49b8-896e-eb28b5fa2b65/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 La3AgSnS7 / P6_3 (173) / materials id 542888](https://mdr.nims.go.jp/datasets/e57a0093-6932-4511-9a78-4ca2ec29acd5)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_3"  number: 173  Hall_symbol: "P 6c"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    10.329063070000000,    -0.000000010000000,     0.000000000000000 ] # a  - [    -5.164531540000000,     8.945231030000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.934159160000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.641413660000000,  0.772518490000000,  0.077694650000000 ]    mass: 138.905470  - symbol: La # 2    coordinates: [  0.868895170000000,  0.641413660000000,  0.577694650000000 ]    mass: 138.905470  - symbol: La # 3    coordinates: [  0.772518490000000,  0.131104830000000,  0.577694650000000 ]    mass: 138.905470  - symbol: La # 4    coordinates: [  0.227481510000000,  0.868895170000000,  0.077694650000000 ]    mass: 138.905470  - symbol: La # 5    coordinates: [  0.131104830000000,  0.358586340000000,  0.077694650000000 ]    mass: 138.905470  - symbol: La # 6    coordinates: [  0.358586340000000,  0.227481510000000,  0.577694650000000 ]    mass: 138.905470  - symbol: Sn # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.655134510000000 ]    mass: 118.710000  - symbol: Sn # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.155134510000000 ]    mass: 118.710000  - symbol: Ag # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.022866900000000 ]    mass: 107.868200  - symbol: Ag # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.522866900000000 ]    mass: 107.868200  - symbol: S  # 11    coordinates: [  0.832163360000000,  0.100100480000000,  0.058703290000000 ]    mass: 32.065000  - symbol: S  # 12    coordinates: [  0.732062870000000,  0.832163360000000,  0.558703290000000 ]    mass: 32.065000  - symbol: S  # 13    coordinates: [  0.100100480000000,  0.267937130000000,  0.558703290000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.899899520000000,  0.732062870000000,  0.058703290000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.267937130000000,  0.167836640000000,  0.058703290000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.167836640000000,  0.899899520000000,  0.558703290000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.908950640000000,  0.422928380000000,  0.324938160000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.486022280000000,  0.908950640000000,  0.824938160000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.422928380000000,  0.513977720000000,  0.824938160000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.577071620000000,  0.486022280000000,  0.324938160000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.513977720000000,  0.091049360000000,  0.324938160000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.091049360000000,  0.577071620000000,  0.824938160000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.258290320000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.666666670000000,  0.333333330000000,  0.758290320000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.096814202196459,     0.055895705665586,     0.000000000000000 ] # a*  - [     0.000000000108230,     0.111791411222943,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.168515871084253 ] # c*unit_cell:  lattice:  - [    10.329063070000000,    -0.000000010000000,     0.000000000000000 ] # a  - [    -5.164531540000000,     8.945231030000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.934159160000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.641413660000000,  0.772518490000000,  0.077694650000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.868895170000000,  0.641413660000000,  0.577694650000000 ]    mass: 138.905470    reduced_to: 2  - symbol: La # 3    coordinates: [  0.772518490000000,  0.131104830000000,  0.577694650000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.227481510000000,  0.868895170000000,  0.077694650000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 5    coordinates: [  0.131104830000000,  0.358586340000000,  0.077694650000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 6    coordinates: [  0.358586340000000,  0.227481510000000,  0.577694650000000 ]    mass: 138.905470    reduced_to: 6  - symbol: Sn # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.655134510000000 ]    mass: 118.710000    reduced_to: 7  - symbol: Sn # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.155134510000000 ]    mass: 118.710000    reduced_to: 8  - symbol: Ag # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.022866900000000 ]    mass: 107.868200    reduced_to: 9  - symbol: Ag # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.522866900000000 ]    mass: 107.868200    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.832163360000000,  0.100100480000000,  0.058703290000000 ]    mass: 32.065000    reduced_to: 11  - symbol: S  # 12    coordinates: [  0.732062870000000,  0.832163360000000,  0.558703290000000 ]    mass: 32.065000    reduced_to: 12  - symbol: S  # 13    coordinates: [  0.100100480000000,  0.267937130000000,  0.558703290000000 ]    mass: 32.065000    reduced_to: 13  - symbol: S  # 14    coordinates: [  0.899899520000000,  0.732062870000000,  0.058703290000000 ]    mass: 32.065000    reduced_to: 14  - symbol: S  # 15    coordinates: [  0.267937130000000,  0.167836640000000,  0.058703290000000 ]    mass: 32.065000    reduced_to: 15  - symbol: S  # 16    coordinates: [  0.167836640000000,  0.899899520000000,  0.558703290000000 ]    mass: 32.065000    reduced_to: 16  - symbol: S  # 17    coordinates: [  0.908950640000000,  0.422928380000000,  0.324938160000000 ]    mass: 32.065000    reduced_to: 17  - symbol: S  # 18    coordinates: [  0.486022280000000,  0.908950640000000,  0.824938160000000 ]    mass: 32.065000    reduced_to: 18  - symbol: S  # 19    coordinates: [  0.422928380000000,  0.513977720000000,  0.824938160000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.577071620000000,  0.486022280000000,  0.324938160000000 ]    mass: 32.065000    reduced_to: 20  - symbol: S  # 21    coordinates: [  0.513977720000000,  0.091049360000000,  0.324938160000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.091049360000000,  0.577071620000000,  0.824938160000000 ]    mass: 32.065000    reduced_to: 22  - symbol: S  # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.258290320000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.666666670000000,  0.333333330000000,  0.758290320000000 ]    mass: 32.065000    reduced_to: 24supercell:  lattice:  - [    10.329063070000000,    -0.000000010000000,     0.000000000000000 ] # a  - [    -5.164531540000000,     8.945231030000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.868318320000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.641413660000000,  0.772518490000000,  0.038847325000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.641413660000000,  0.772518490000000,  0.538847325000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 3    coordinates: [  0.868895170000000,  0.641413660000000,  0.288847325000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.868895170000000,  0.641413660000000,  0.788847325000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 5    coordinates: [  0.772518490000000,  0.131104830000000,  0.288847325000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 6    coordinates: [  0.772518490000000,  0.131104830000000,  0.788847325000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 7    coordinates: [  0.227481510000000,  0.868895170000000,  0.038847325000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 8    coordinates: [  0.227481510000000,  0.868895170000000,  0.538847325000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 9    coordinates: [  0.131104830000000,  0.358586340000000,  0.038847325000000 ]    mass: 138.905470    reduced_to: 9  - symbol: La # 10    coordinates: [  0.131104830000000,  0.358586340000000,  0.538847325000000 ]    mass: 138.905470    reduced_to: 9  - symbol: La # 11    coordinates: [  0.358586340000000,  0.227481510000000,  0.288847325000000 ]    mass: 138.905470    reduced_to: 11  - symbol: La # 12    coordinates: [  0.358586340000000,  0.227481510000000,  0.788847325000000 ]    mass: 138.905470    reduced_to: 11  - symbol: Sn # 13    coordinates: [  0.333333330000000,  0.666666670000000,  0.327567255000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 14    coordinates: [  0.333333330000000,  0.666666670000000,  0.827567255000000 ]    mass: 118.710000    reduced_to: 13  - symbol: Sn # 15    coordinates: [  0.666666670000000,  0.333333330000000,  0.077567255000000 ]    mass: 118.710000    reduced_to: 15  - symbol: Sn # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.577567255000000 ]    mass: 118.710000    reduced_to: 15  - symbol: Ag # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.011433450000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.511433450000000 ]    mass: 107.868200    reduced_to: 17  - symbol: Ag # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.261433450000000 ]    mass: 107.868200    reduced_to: 19  - symbol: Ag # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.761433450000000 ]    mass: 107.868200    reduced_to: 19  - symbol: S  # 21    coordinates: [  0.832163360000000,  0.100100480000000,  0.029351645000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 22    coordinates: [  0.832163360000000,  0.100100480000000,  0.529351645000000 ]    mass: 32.065000    reduced_to: 21  - symbol: S  # 23    coordinates: [  0.732062870000000,  0.832163360000000,  0.279351645000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 24    coordinates: [  0.732062870000000,  0.832163360000000,  0.779351645000000 ]    mass: 32.065000    reduced_to: 23  - symbol: S  # 25    coordinates: [  0.100100480000000,  0.267937130000000,  0.279351645000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.100100480000000,  0.267937130000000,  0.779351645000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 27    coordinates: [  0.899899520000000,  0.732062870000000,  0.029351645000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.899899520000000,  0.732062870000000,  0.529351645000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 29    coordinates: [  0.267937130000000,  0.167836640000000,  0.029351645000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.267937130000000,  0.167836640000000,  0.529351645000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 31    coordinates: [  0.167836640000000,  0.899899520000000,  0.279351645000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.167836640000000,  0.899899520000000,  0.779351645000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 33    coordinates: [  0.908950640000000,  0.422928380000000,  0.162469080000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 34    coordinates: [  0.908950640000000,  0.422928380000000,  0.662469080000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 35    coordinates: [  0.486022280000000,  0.908950640000000,  0.412469080000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 36    coordinates: [  0.486022280000000,  0.908950640000000,  0.912469080000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 37    coordinates: [  0.422928380000000,  0.513977720000000,  0.412469080000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.422928380000000,  0.513977720000000,  0.912469080000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 39    coordinates: [  0.577071620000000,  0.486022280000000,  0.162469080000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 40    coordinates: [  0.577071620000000,  0.486022280000000,  0.662469080000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 41    coordinates: [  0.513977720000000,  0.091049360000000,  0.162469080000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.513977720000000,  0.091049360000000,  0.662469080000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 43    coordinates: [  0.091049360000000,  0.577071620000000,  0.412469080000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.091049360000000,  0.577071620000000,  0.912469080000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 45    coordinates: [  0.333333330000000,  0.666666670000000,  0.129145160000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.333333330000000,  0.666666670000000,  0.629145160000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 47    coordinates: [  0.666666670000000,  0.333333330000000,  0.379145160000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.666666670000000,  0.333333330000000,  0.879145160000000 ]    mass: 32.065000    reduced_to: 47displacements:- atom:    1  displacement:    [   0.0100000000000000, -0.0000000000096814,  0.0000000000000000 ]  forces:  - [  -0.0740371200000000, -0.0097361200000000, -0.0055591400000000 ]  - [  -0.0006426500000000,  0.0008778700000000,  0.0005776600000000 ]  - [   0.0015049400000000, -0.0006703800000000,  0.0066841700000000 ]  - [   0.0015987000000000, -0.0011695700000000, -0.0075507700000000 ]  - [   0.0002860800000000,  0.0003953400000000, -0.0000334100000000 ]  - [  -0.0008634400000000, -0.0007170500000000,  0.0002728100000000 ]  - [   0.0111904000000000, -0.0006069900000000,  0.0000837900000000 ]  - [  -0.0006642800000000, -0.0014368400000000,  0.0001397300000000 ]  - [   0.0036174700000000,  0.0049652000000000,  0.0010387000000000 ]  - [   0.0015284200000000,  0.0001734500000000,  0.0000091300000000 ]  - [  -0.0005344200000000, -0.0021768000000000,  0.0010918600000000 ]  - [  -0.0005436500000000,  0.0000261000000000,  0.0006103100000000 ]  - [  -0.0012156700000000, -0.0005420300000000, -0.0067774800000000 ]  - [   0.0063462600000000,  0.0059041900000000,  0.0099251000000000 ]  - [   0.0008750200000000, -0.0040257600000000,  0.0035293700000000 ]  - [  -0.0003429700000000, -0.0002676100000000,  0.0029100000000000 ]  - [   0.0063245900000000,  0.0080568800000000, -0.0034431500000000 ]  - [   0.0000387800000000,  0.0000607700000000, -0.0012703200000000 ]  - [   0.0002754900000000,  0.0004972500000000, -0.0005221900000000 ]  - [   0.0002197600000000,  0.0000777500000000, -0.0020213700000000 ]  - [   0.0030029400000000, -0.0012906500000000,  0.0022063100000000 ]  - [  -0.0002034500000000, -0.0008925400000000,  0.0009001500000000 ]  - [   0.0041343400000000, -0.0005798200000000,  0.0020898800000000 ]  - [   0.0041633400000000, -0.0013498400000000,  0.0018403500000000 ]  - [  -0.0007291500000000, -0.0009868600000000,  0.0010860900000000 ]  - [  -0.0007001500000000, -0.0005652300000000,  0.0011216700000000 ]  - [   0.0176204700000000, -0.0016407500000000,  0.0011711100000000 ]  - [   0.0001853200000000, -0.0000593700000000,  0.0007069800000000 ]  - [  -0.0000410200000000, -0.0003953400000000,  0.0018335400000000 ]  - [  -0.0003403600000000,  0.0001935500000000,  0.0006223300000000 ]  - [  -0.0010324900000000,  0.0002281300000000,  0.0000276000000000 ]  - [  -0.0015009400000000, -0.0002732900000000,  0.0018329100000000 ]  - [  -0.0026952100000000, -0.0007650000000000, -0.0001981700000000 ]  - [  -0.0024195300000000, -0.0016389900000000,  0.0008298400000000 ]  - [   0.0014555600000000, -0.0017296400000000,  0.0009764000000000 ]  - [   0.0082844100000000, -0.0075873600000000,  0.0037527300000000 ]  - [  -0.0013317300000000,  0.0003881800000000,  0.0010743500000000 ]  - [  -0.0005520400000000,  0.0041037200000000,  0.0022829200000000 ]  - [   0.0043516900000000,  0.0001698800000000, -0.0002322600000000 ]  - [   0.0031857300000000, -0.0004357500000000,  0.0005210500000000 ]  - [  -0.0013059100000000,  0.0045020200000000,  0.0000271500000000 ]  - [  -0.0003490400000000,  0.0033884000000000,  0.0004517700000000 ]  - [   0.0004549700000000,  0.0015575700000000,  0.0017168200000000 ]  - [  -0.0011572900000000,  0.0007137300000000, -0.0002894600000000 ]  - [   0.0127963800000000,  0.0040652100000000, -0.0070911100000000 ]  - [  -0.0004437900000000, -0.0005916800000000, -0.0073326200000000 ]  - [   0.0001555500000000,  0.0002849800000000, -0.0064339800000000 ]  - [   0.0000496800000000,  0.0015010900000000, -0.0051891400000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000096814,  0.0000000000000000 ]  forces:  - [   0.0746874700000000,  0.0137810000000000,  0.0061485700000000 ]  - [   0.0019140500000000,  0.0031274000000000, -0.0000762200000000 ]  - [  -0.0043272100000000,  0.0037252200000000, -0.0061200600000000 ]  - [  -0.0044150800000000,  0.0042337500000000,  0.0079722900000000 ]  - [   0.0038116200000000,  0.0004934300000000,  0.0005144100000000 ]  - [   0.0049773300000000,  0.0016209400000000,  0.0002469800000000 ]  - [  -0.0152402500000000, -0.0002962400000000,  0.0003992900000000 ]  - [  -0.0034184300000000,  0.0005273300000000,  0.0003631200000000 ]  - [  -0.0007966500000000, -0.0080637100000000, -0.0005531700000000 ]  - [   0.0013027900000000, -0.0032605300000000,  0.0004945000000000 ]  - [  -0.0007015000000000, -0.0018020800000000, -0.0005942800000000 ]  - [  -0.0007100600000000, -0.0040077200000000, -0.0001114300000000 ]  - [   0.0012190700000000,  0.0005433200000000,  0.0121693800000000 ]  - [  -0.0063619000000000, -0.0059717300000000, -0.0046583300000000 ]  - [  -0.0008861300000000,  0.0040275600000000,  0.0018228800000000 ]  - [   0.0003432400000000,  0.0002720800000000,  0.0024147400000000 ]  - [  -0.0061525500000000, -0.0078570000000000,  0.0006028600000000 ]  - [  -0.0000372400000000, -0.0000641400000000, -0.0015131200000000 ]  - [  -0.0002808400000000, -0.0004977200000000, -0.0022605700000000 ]  - [  -0.0002258400000000, -0.0000776200000000, -0.0007645200000000 ]  - [  -0.0033731400000000,  0.0002283500000000, -0.0003014100000000 ]  - [  -0.0001797900000000, -0.0001633500000000,  0.0010056900000000 ]  - [  -0.0033868200000000, -0.0002887800000000, -0.0001681100000000 ]  - [  -0.0034132500000000,  0.0004858600000000,  0.0000158600000000 ]  - [  -0.0003747400000000,  0.0007978200000000,  0.0008225800000000 ]  - [  -0.0004100500000000,  0.0003649300000000,  0.0007787600000000 ]  - [  -0.0153410300000000,  0.0017058300000000,  0.0007171200000000 ]  - [   0.0009399700000000,  0.0002578000000000,  0.0011990600000000 ]  - [  -0.0006635400000000,  0.0012675100000000,  0.0000777200000000 ]  - [  -0.0003848700000000,  0.0006727700000000,  0.0012811500000000 ]  - [   0.0014242600000000,  0.0008320500000000,  0.0018678200000000 ]  - [   0.0018770800000000,  0.0013285700000000,  0.0000842900000000 ]  - [  -0.0010677800000000, -0.0029783200000000,  0.0007800900000000 ]  - [  -0.0013382300000000, -0.0021186000000000, -0.0002426600000000 ]  - [  -0.0000808900000000, -0.0034132200000000, -0.0003984400000000 ]  - [  -0.0073273600000000,  0.0026813500000000, -0.0033958800000000 ]  - [  -0.0038150800000000,  0.0009944600000000, -0.0005024500000000 ]  - [  -0.0045578300000000, -0.0027504900000000, -0.0017067500000000 ]  - [   0.0008389800000000, -0.0015664800000000,  0.0008197200000000 ]  - [   0.0019630800000000, -0.0009412900000000,  0.0000653300000000 ]  - [  -0.0000583900000000,  0.0006029600000000,  0.0005541100000000 ]  - [  -0.0010251900000000,  0.0017442400000000,  0.0001358300000000 ]  - [   0.0033077300000000,  0.0022091300000000, -0.0011311400000000 ]  - [   0.0049151700000000,  0.0030671100000000,  0.0008758500000000 ]  - [  -0.0134102400000000, -0.0043013000000000, -0.0041921900000000 ]  - [   0.0004436200000000,  0.0006015700000000, -0.0041611800000000 ]  - [  -0.0001543000000000, -0.0002814500000000, -0.0050647000000000 ]  - [  -0.0000492900000000, -0.0014925900000000, -0.0063133600000000 ]- atom:    1  displacement:    [  -0.0049999999977245,  0.0086602540391582,  0.0000000000000000 ]  forces:  - [   0.0275035800000000, -0.0514264500000000,  0.0020201700000000 ]  - [   0.0002891600000000,  0.0021404900000000,  0.0003371900000000 ]  - [  -0.0037927600000000,  0.0000744600000000, -0.0045338600000000 ]  - [  -0.0037434700000000,  0.0018232400000000,  0.0059939000000000 ]  - [   0.0013760700000000,  0.0035419400000000,  0.0061055300000000 ]  - [   0.0015145800000000,  0.0035299600000000, -0.0058483200000000 ]  - [  -0.0088103100000000, -0.0018345900000000,  0.0016165400000000 ]  - [  -0.0020830100000000, -0.0003590600000000,  0.0000538100000000 ]  - [   0.0059955400000000,  0.0033264500000000, -0.0009555100000000 ]  - [   0.0013531200000000, -0.0016872600000000,  0.0004517400000000 ]  - [   0.0010784600000000,  0.0010329600000000, -0.0013029700000000 ]  - [  -0.0008298100000000, -0.0000540100000000,  0.0007919600000000 ]  - [   0.0002258600000000,  0.0002879400000000,  0.0048613700000000 ]  - [   0.0027080800000000, -0.0112384100000000,  0.0015460100000000 ]  - [  -0.0061690200000000,  0.0074262000000000,  0.0046232500000000 ]  - [   0.0001908900000000,  0.0004253000000000,  0.0020271100000000 ]  - [   0.0040928000000000, -0.0012056500000000, -0.0011132000000000 ]  - [   0.0000815200000000,  0.0000146900000000, -0.0013456000000000 ]  - [   0.0003306600000000, -0.0002008900000000, -0.0012725700000000 ]  - [  -0.0001460700000000,  0.0001733200000000, -0.0014426300000000 ]  - [  -0.0010871300000000,  0.0105176900000000, -0.0004946400000000 ]  - [  -0.0003515000000000, -0.0004328400000000,  0.0008815600000000 ]  - [  -0.0023120100000000,  0.0032646100000000,  0.0006415900000000 ]  - [  -0.0019024500000000,  0.0031290200000000,  0.0012690500000000 ]  - [  -0.0013362500000000, -0.0002877000000000,  0.0002275400000000 ]  - [  -0.0019324800000000, -0.0011016400000000,  0.0016095100000000 ]  - [  -0.0102849600000000,  0.0047058900000000,  0.0003415200000000 ]  - [   0.0002832600000000,  0.0004268200000000,  0.0010531700000000 ]  - [  -0.0011520000000000,  0.0004795500000000,  0.0007956500000000 ]  - [  -0.0005792100000000,  0.0005172300000000,  0.0014124800000000 ]  - [   0.0006732400000000,  0.0007815300000000,  0.0013980100000000 ]  - [   0.0012849200000000,  0.0006835500000000,  0.0006226900000000 ]  - [   0.0004974600000000, -0.0039162300000000, -0.0001186500000000 ]  - [  -0.0012888700000000, -0.0022373400000000,  0.0003108400000000 ]  - [   0.0008804000000000, -0.0024988600000000,  0.0001123800000000 ]  - [  -0.0068199300000000,  0.0070753100000000, -0.0046919800000000 ]  - [  -0.0032163200000000,  0.0011699200000000,  0.0002955200000000 ]  - [  -0.0025871800000000,  0.0148387400000000,  0.0066411600000000 ]  - [   0.0026928600000000,  0.0024877700000000, -0.0022168600000000 ]  - [   0.0025803900000000, -0.0009291500000000,  0.0001683100000000 ]  - [   0.0017603600000000, -0.0010561200000000,  0.0001307300000000 ]  - [  -0.0003575600000000,  0.0019203900000000,  0.0004278000000000 ]  - [   0.0023237900000000,  0.0018136300000000, -0.0000482600000000 ]  - [   0.0020811900000000,  0.0032431800000000,  0.0003679500000000 ]  - [  -0.0024053600000000,  0.0003905900000000, -0.0066205400000000 ]  - [  -0.0004184700000000,  0.0015064000000000, -0.0056574500000000 ]  - [   0.0003013100000000, -0.0003864200000000, -0.0049435000000000 ]  - [   0.0015066100000000, -0.0018961500000000, -0.0065295000000000 ]- atom:    1  displacement:    [   0.0049999999977245, -0.0086602540391582,  0.0000000000000000 ]  forces:  - [  -0.0264862900000000,  0.0554622200000000, -0.0013388200000000 ]  - [   0.0009636000000000,  0.0018608700000000,  0.0001476500000000 ]  - [   0.0009753200000000,  0.0030290500000000,  0.0050648600000000 ]  - [   0.0009237500000000,  0.0012611600000000, -0.0055274500000000 ]  - [   0.0027198100000000, -0.0026315700000000, -0.0055313200000000 ]  - [   0.0025725600000000, -0.0025984700000000,  0.0062982400000000 ]  - [   0.0047273300000000,  0.0008840600000000, -0.0011128000000000 ]  - [  -0.0019942600000000, -0.0005651600000000,  0.0004456300000000 ]  - [  -0.0031374900000000, -0.0063563400000000,  0.0014497400000000 ]  - [   0.0014801000000000, -0.0013915800000000,  0.0000454500000000 ]  - [  -0.0023337400000000, -0.0050523300000000,  0.0018294200000000 ]  - [  -0.0004245800000000, -0.0039379200000000, -0.0002951800000000 ]  - [  -0.0002250600000000, -0.0002870000000000,  0.0004183400000000 ]  - [  -0.0026782500000000,  0.0112016300000000,  0.0038026200000000 ]  - [   0.0062150000000000, -0.0074608900000000,  0.0007082400000000 ]  - [  -0.0001951000000000, -0.0004237100000000,  0.0033028300000000 ]  - [  -0.0041063200000000,  0.0011682500000000, -0.0016715800000000 ]  - [  -0.0000827100000000, -0.0000231800000000, -0.0014394600000000 ]  - [  -0.0003416000000000,  0.0001896000000000, -0.0015054800000000 ]  - [   0.0001389600000000, -0.0001762500000000, -0.0013405900000000 ]  - [   0.0007984200000000, -0.0109235200000000,  0.0023384300000000 ]  - [  -0.0000345600000000, -0.0006258500000000,  0.0010266700000000 ]  - [   0.0030502400000000, -0.0041250000000000,  0.0012758100000000 ]  - [   0.0026263100000000, -0.0039873900000000,  0.0006430500000000 ]  - [   0.0002221100000000,  0.0000808800000000,  0.0016652000000000 ]  - [   0.0008093200000000,  0.0008856700000000,  0.0002950000000000 ]  - [   0.0118315700000000, -0.0045186700000000,  0.0015761200000000 ]  - [   0.0008366800000000, -0.0002297600000000,  0.0008520300000000 ]  - [   0.0004205100000000,  0.0003846000000000,  0.0011170000000000 ]  - [  -0.0001491600000000,  0.0003450900000000,  0.0004878400000000 ]  - [  -0.0002888100000000,  0.0002862400000000,  0.0005050200000000 ]  - [  -0.0009056300000000,  0.0003739700000000,  0.0012865500000000 ]  - [  -0.0042746500000000,  0.0001475600000000,  0.0006949900000000 ]  - [  -0.0024759600000000, -0.0015294700000000,  0.0002791200000000 ]  - [   0.0004896400000000, -0.0026386400000000,  0.0004784000000000 ]  - [   0.0078245400000000, -0.0120030100000000,  0.0050305600000000 ]  - [  -0.0019212800000000,  0.0001974800000000,  0.0002851900000000 ]  - [  -0.0027032900000000, -0.0137388900000000, -0.0062342700000000 ]  - [   0.0025703700000000, -0.0042847900000000,  0.0030146000000000 ]  - [   0.0025681200000000, -0.0004592400000000,  0.0004183300000000 ]  - [  -0.0031043500000000,  0.0061509800000000,  0.0004427400000000 ]  - [  -0.0010130700000000,  0.0032174100000000,  0.0001629300000000 ]  - [   0.0014342700000000,  0.0019434500000000,  0.0006433700000000 ]  - [   0.0016846500000000,  0.0005282900000000,  0.0002139800000000 ]  - [   0.0023897700000000, -0.0004074100000000, -0.0048757900000000 ]  - [   0.0004204300000000, -0.0015062000000000, -0.0058400900000000 ]  - [  -0.0003056500000000,  0.0003862000000000, -0.0065720000000000 ]  - [  -0.0015115700000000,  0.0018975600000000, -0.0049611500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0051681000000000,  0.0006109200000000, -0.0589734100000000 ]  - [   0.0009478000000000,  0.0022956800000000,  0.0090065500000000 ]  - [   0.0046863300000000, -0.0019825500000000,  0.0020807500000000 ]  - [  -0.0072012600000000,  0.0045626300000000,  0.0021723300000000 ]  - [   0.0000264400000000,  0.0083093800000000,  0.0021711200000000 ]  - [   0.0036328400000000, -0.0059751000000000,  0.0020804500000000 ]  - [  -0.0016377200000000,  0.0006813300000000, -0.0035153300000000 ]  - [  -0.0019952000000000, -0.0007219700000000,  0.0022765700000000 ]  - [   0.0027811900000000, -0.0021501000000000, -0.0035152900000000 ]  - [   0.0012266900000000, -0.0012913700000000,  0.0022762100000000 ]  - [  -0.0009704200000000, -0.0028346200000000,  0.0016075900000000 ]  - [  -0.0014634500000000, -0.0006730200000000,  0.0016146800000000 ]  - [  -0.0027962800000000, -0.0013485000000000,  0.0063328000000000 ]  - [   0.0081753700000000,  0.0020843500000000,  0.0083398300000000 ]  - [   0.0029290500000000, -0.0010357200000000, -0.0017051300000000 ]  - [  -0.0007355100000000,  0.0001569700000000,  0.0043286400000000 ]  - [  -0.0007993300000000, -0.0009259100000000, -0.0029865400000000 ]  - [   0.0001719400000000,  0.0001458100000000, -0.0007039800000000 ]  - [   0.0019258400000000,  0.0014652000000000, -0.0028723800000000 ]  - [  -0.0014720100000000, -0.0012037900000000, -0.0012782200000000 ]  - [   0.0000811900000000, -0.0013853300000000,  0.0067454700000000 ]  - [  -0.0001970200000000, -0.0004201900000000, -0.0019734100000000 ]  - [   0.0000239300000000,  0.0002279400000000,  0.0148228100000000 ]  - [   0.0009600500000000,  0.0008885700000000,  0.0004391300000000 ]  - [  -0.0012159000000000, -0.0008323800000000,  0.0015555600000000 ]  - [  -0.0004400600000000,  0.0000858100000000,  0.0003636400000000 ]  - [  -0.0012542200000000,  0.0000070300000000,  0.0067488200000000 ]  - [   0.0004493300000000, -0.0000633000000000, -0.0019397600000000 ]  - [  -0.0000213500000000, -0.0000511400000000,  0.0024145300000000 ]  - [  -0.0003518500000000,  0.0004920400000000, -0.0002925700000000 ]  - [  -0.0006679500000000,  0.0002108000000000,  0.0016908900000000 ]  - [   0.0003874100000000,  0.0006797400000000,  0.0004618300000000 ]  - [  -0.0030707600000000, -0.0016536800000000,  0.0016654900000000 ]  - [  -0.0017331500000000, -0.0019179400000000, -0.0004892200000000 ]  - [   0.0018834000000000, -0.0021971700000000, -0.0011688500000000 ]  - [   0.0039139300000000, -0.0065203000000000,  0.0062994200000000 ]  - [  -0.0018610800000000,  0.0006314000000000, -0.0008735300000000 ]  - [  -0.0012526300000000,  0.0102680600000000,  0.0084565800000000 ]  - [   0.0026214700000000, -0.0046716900000000,  0.0057170600000000 ]  - [   0.0031819900000000, -0.0011208100000000, -0.0004069600000000 ]  - [  -0.0005238300000000,  0.0030880800000000,  0.0012162600000000 ]  - [  -0.0006377500000000,  0.0025873700000000, -0.0003837100000000 ]  - [   0.0014840600000000,  0.0020363200000000, -0.0005396800000000 ]  - [   0.0005838300000000,  0.0013542600000000,  0.0010322800000000 ]  - [  -0.0038895900000000, -0.0017899400000000, -0.0012022300000000 ]  - [  -0.0008354700000000, -0.0003066900000000, -0.0075703200000000 ]  - [   0.0003416600000000, -0.0000443500000000, -0.0072153700000000 ]  - [  -0.0002238900000000,  0.0002478600000000, -0.0043114100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0065410800000000,  0.0035056700000000,  0.0592739500000000 ]  - [   0.0003025400000000,  0.0017010300000000, -0.0085176500000000 ]  - [  -0.0074585300000000,  0.0050131100000000, -0.0015835000000000 ]  - [   0.0044356400000000, -0.0015142200000000, -0.0016702500000000 ]  - [   0.0040280000000000, -0.0073120800000000, -0.0016723600000000 ]  - [   0.0004315100000000,  0.0069540100000000, -0.0015812800000000 ]  - [  -0.0024628800000000, -0.0016133700000000,  0.0040024600000000 ]  - [  -0.0020848000000000, -0.0001936300000000, -0.0017738300000000 ]  - [   0.0000401600000000, -0.0009458100000000,  0.0039999100000000 ]  - [   0.0016057900000000, -0.0017810200000000, -0.0017760200000000 ]  - [  -0.0002636000000000, -0.0011555200000000, -0.0011141600000000 ]  - [   0.0002044700000000, -0.0033119900000000, -0.0011067500000000 ]  - [   0.0027608100000000,  0.0013289800000000, -0.0010252200000000 ]  - [  -0.0082376900000000, -0.0021113000000000, -0.0030231900000000 ]  - [  -0.0029200500000000,  0.0010439900000000,  0.0070364700000000 ]  - [   0.0007378200000000, -0.0001556200000000,  0.0009952900000000 ]  - [   0.0007689800000000,  0.0008981300000000,  0.0002106900000000 ]  - [  -0.0001727400000000, -0.0001504900000000, -0.0020795300000000 ]  - [  -0.0019086400000000, -0.0014480200000000,  0.0000709300000000 ]  - [   0.0014834400000000,  0.0012199500000000, -0.0015148300000000 ]  - [  -0.0004563200000000,  0.0003475500000000, -0.0048462800000000 ]  - [  -0.0001856100000000, -0.0006500100000000,  0.0038740000000000 ]  - [   0.0008751600000000, -0.0009558100000000, -0.0120725500000000 ]  - [  -0.0001689500000000, -0.0017093800000000,  0.0010662900000000 ]  - [   0.0000908800000000,  0.0006139800000000,  0.0003559600000000 ]  - [  -0.0006854800000000, -0.0003097000000000,  0.0015223400000000 ]  - [   0.0023727800000000,  0.0002032400000000, -0.0048352000000000 ]  - [   0.0006577600000000,  0.0002707000000000,  0.0038399900000000 ]  - [  -0.0007039700000000,  0.0009248500000000, -0.0005109000000000 ]  - [  -0.0003815600000000,  0.0003712500000000,  0.0021908500000000 ]  - [   0.0010358000000000,  0.0008522400000000,  0.0002217400000000 ]  - [  -0.0000222600000000,  0.0003792100000000,  0.0014276300000000 ]  - [  -0.0006987900000000, -0.0021074000000000, -0.0010707400000000 ]  - [  -0.0020280500000000, -0.0018446900000000,  0.0010734600000000 ]  - [  -0.0004934900000000, -0.0029373200000000,  0.0017502200000000 ]  - [  -0.0026961700000000,  0.0014887400000000, -0.0057838500000000 ]  - [  -0.0032713900000000,  0.0007528400000000,  0.0014556600000000 ]  - [  -0.0039806500000000, -0.0091765800000000, -0.0079980100000000 ]  - [   0.0025685200000000,  0.0031618700000000, -0.0050887500000000 ]  - [   0.0019541800000000, -0.0002502500000000,  0.0009891100000000 ]  - [  -0.0008475600000000,  0.0020475600000000, -0.0006285400000000 ]  - [  -0.0007356000000000,  0.0025505800000000,  0.0009660400000000 ]  - [   0.0022713800000000,  0.0017259200000000,  0.0011300800000000 ]  - [   0.0031821700000000,  0.0024157000000000, -0.0004547300000000 ]  - [   0.0037893400000000,  0.0017499600000000, -0.0102918800000000 ]  - [   0.0008416100000000,  0.0003108100000000, -0.0039401100000000 ]  - [  -0.0003393800000000,  0.0000473300000000, -0.0042935100000000 ]  - [   0.0002243400000000, -0.0002450000000000, -0.0071994700000000 ]- atom:   13  displacement:    [   0.0100000000000000, -0.0000000000096814,  0.0000000000000000 ]  forces:  - [  -0.0006000200000000,  0.0015521900000000, -0.0025476700000000 ]  - [   0.0069964500000000,  0.0087822600000000,  0.0084865300000000 ]  - [   0.0081268200000000,  0.0005464900000000,  0.0026224800000000 ]  - [  -0.0011462300000000,  0.0014585100000000, -0.0002594800000000 ]  - [   0.0023273800000000,  0.0041550600000000,  0.0008226700000000 ]  - [   0.0020999900000000,  0.0009588100000000,  0.0000127300000000 ]  - [  -0.0027512100000000,  0.0003684700000000,  0.0027895800000000 ]  - [  -0.0020891800000000, -0.0100798800000000, -0.0056546700000000 ]  - [   0.0015611500000000, -0.0017656100000000,  0.0004819900000000 ]  - [  -0.0096419000000000,  0.0025993900000000, -0.0020554300000000 ]  - [   0.0002656000000000, -0.0086323800000000, -0.0026599600000000 ]  - [  -0.0009679200000000, -0.0019766300000000,  0.0009869500000000 ]  - [  -0.1184669600000000,  0.0012643300000000,  0.0013007400000000 ]  - [   0.0013707100000000, -0.0000020200000000,  0.0026657900000000 ]  - [   0.0020696500000000, -0.0005181800000000,  0.0026564400000000 ]  - [   0.0020703900000000,  0.0005178200000000,  0.0026630500000000 ]  - [   0.0000430400000000, -0.0000230800000000, -0.0013902300000000 ]  - [  -0.0002146700000000, -0.0004051000000000, -0.0013906800000000 ]  - [   0.0020629200000000,  0.0008309300000000, -0.0013975400000000 ]  - [   0.0000174900000000,  0.0000245600000000, -0.0013943900000000 ]  - [  -0.0000750000000000, -0.0008474100000000,  0.0012707200000000 ]  - [   0.0007305300000000, -0.0009118500000000,  0.0014943300000000 ]  - [  -0.0024687700000000, -0.0016374800000000,  0.0015506800000000 ]  - [   0.0001775300000000, -0.0006093300000000,  0.0003475600000000 ]  - [   0.0003390500000000, -0.0002941600000000,  0.0009510300000000 ]  - [  -0.0005178700000000, -0.0001526900000000,  0.0012577700000000 ]  - [   0.0003401500000000,  0.0000894300000000,  0.0008600100000000 ]  - [  -0.0016129700000000,  0.0006873500000000,  0.0016058900000000 ]  - [  -0.0001590800000000,  0.0005569000000000,  0.0007434900000000 ]  - [  -0.0001623400000000,  0.0031995400000000, -0.0002463500000000 ]  - [  -0.0016163400000000,  0.0030472800000000,  0.0003725700000000 ]  - [   0.0000052600000000,  0.0006162000000000,  0.0012567400000000 ]  - [  -0.0031528800000000, -0.0023490700000000,  0.0001888400000000 ]  - [  -0.0030695700000000, -0.0028205800000000,  0.0018667300000000 ]  - [   0.0083227800000000,  0.0060759600000000,  0.0032196700000000 ]  - [   0.0006506300000000, -0.0023099600000000,  0.0000956700000000 ]  - [   0.0439179000000000, -0.0307700500000000,  0.0229357500000000 ]  - [  -0.0020631800000000, -0.0000681800000000, -0.0005362800000000 ]  - [   0.0013862400000000, -0.0003361500000000,  0.0002254500000000 ]  - [   0.0013903500000000, -0.0002709000000000, -0.0005321700000000 ]  - [  -0.0012054900000000,  0.0024250700000000,  0.0004716900000000 ]  - [  -0.0006993600000000,  0.0023036600000000, -0.0004450800000000 ]  - [   0.0618956100000000,  0.0234210800000000, -0.0242262100000000 ]  - [   0.0029861300000000,  0.0020998200000000,  0.0013153200000000 ]  - [   0.0033989000000000,  0.0000965900000000, -0.0055096900000000 ]  - [   0.0001033800000000,  0.0001483700000000, -0.0057642400000000 ]  - [  -0.0015191400000000, -0.0011036300000000, -0.0057577900000000 ]  - [  -0.0004559300000000,  0.0000582300000000, -0.0057510100000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000096814,  0.0000000000000000 ]  forces:  - [   0.0018210000000000,  0.0024359800000000,  0.0030191400000000 ]  - [  -0.0057252800000000, -0.0047742800000000, -0.0079195700000000 ]  - [  -0.0109624200000000,  0.0024812100000000, -0.0020960000000000 ]  - [  -0.0016892000000000,  0.0016168400000000,  0.0007546900000000 ]  - [   0.0017205000000000, -0.0032236400000000, -0.0002971700000000 ]  - [   0.0019812600000000, -0.0000421200000000,  0.0004808300000000 ]  - [  -0.0013049400000000, -0.0012956300000000, -0.0023080000000000 ]  - [  -0.0019737500000000,  0.0091885000000000,  0.0061879600000000 ]  - [   0.0012873400000000, -0.0012868600000000,  0.0000190900000000 ]  - [   0.0124826700000000, -0.0056332800000000,  0.0025121100000000 ]  - [  -0.0014928500000000,  0.0046586300000000,  0.0031869100000000 ]  - [  -0.0002794100000000, -0.0020182600000000, -0.0004917200000000 ]  - [   0.1196752200000000,  0.0012639500000000,  0.0012941100000000 ]  - [  -0.0013677100000000, -0.0000026700000000,  0.0026670800000000 ]  - [  -0.0020763500000000,  0.0005107500000000,  0.0026577100000000 ]  - [  -0.0020758700000000, -0.0005106800000000,  0.0026650400000000 ]  - [  -0.0000432000000000,  0.0000160800000000, -0.0013891900000000 ]  - [   0.0002132200000000,  0.0004017900000000, -0.0013894500000000 ]  - [  -0.0020591200000000, -0.0008044800000000, -0.0013947000000000 ]  - [  -0.0000193300000000, -0.0000206500000000, -0.0013916400000000 ]  - [  -0.0003262300000000, -0.0002177500000000,  0.0006430100000000 ]  - [  -0.0011223300000000, -0.0001473300000000,  0.0004093900000000 ]  - [   0.0031491700000000,  0.0007149600000000,  0.0003658200000000 ]  - [   0.0005401500000000, -0.0002656000000000,  0.0015608400000000 ]  - [  -0.0014556400000000,  0.0000961100000000,  0.0009629600000000 ]  - [  -0.0005976800000000, -0.0000359000000000,  0.0006463000000000 ]  - [   0.0007760700000000,  0.0000999400000000,  0.0010568900000000 ]  - [   0.0027210400000000, -0.0004886200000000,  0.0002921000000000 ]  - [  -0.0005597400000000,  0.0003155800000000,  0.0011709000000000 ]  - [  -0.0005617300000000, -0.0023323000000000,  0.0021488100000000 ]  - [   0.0020391200000000, -0.0020192100000000,  0.0015422000000000 ]  - [   0.0003921200000000,  0.0004426400000000,  0.0006515700000000 ]  - [  -0.0005981600000000, -0.0014088000000000,  0.0004028500000000 ]  - [  -0.0006892400000000, -0.0009479000000000, -0.0012737000000000 ]  - [  -0.0070587900000000, -0.0114338900000000, -0.0027210100000000 ]  - [   0.0007298500000000, -0.0028213400000000,  0.0004826100000000 ]  - [  -0.0479574500000000,  0.0309254600000000, -0.0214698900000000 ]  - [  -0.0030746000000000,  0.0014422500000000,  0.0011161200000000 ]  - [   0.0037512400000000, -0.0010316600000000,  0.0003629700000000 ]  - [   0.0037574700000000, -0.0011059500000000,  0.0011234700000000 ]  - [  -0.0001724100000000,  0.0027157000000000,  0.0001123300000000 ]  - [  -0.0006805400000000,  0.0028366000000000,  0.0010318700000000 ]  - [  -0.0603375000000000, -0.0207369400000000,  0.0261215800000000 ]  - [   0.0007653300000000,  0.0016653300000000, -0.0007322300000000 ]  - [  -0.0034103500000000, -0.0001170500000000, -0.0055077600000000 ]  - [  -0.0001061100000000, -0.0001527700000000, -0.0057624300000000 ]  - [   0.0015189300000000,  0.0011024600000000, -0.0057560100000000 ]  - [   0.0004562500000000, -0.0000552200000000, -0.0057488000000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0088442000000000, -0.0009019400000000,  0.0039174500000000 ]  - [   0.0079492600000000,  0.0049175200000000,  0.0059360700000000 ]  - [  -0.0033756100000000,  0.0036563000000000, -0.0041117600000000 ]  - [  -0.0007776800000000,  0.0014546800000000,  0.0019147700000000 ]  - [   0.0048542600000000,  0.0010952100000000, -0.0041117600000000 ]  - [   0.0016486300000000, -0.0000538500000000,  0.0019147700000000 ]  - [   0.0052032000000000, -0.0072083300000000,  0.0039174500000000 ]  - [  -0.0082333300000000,  0.0044255000000000,  0.0059360700000000 ]  - [   0.0036410000000000,  0.0081102700000000,  0.0039174500000000 ]  - [   0.0002840700000000, -0.0093430200000000,  0.0059360700000000 ]  - [  -0.0014786500000000, -0.0047515200000000, -0.0041117600000000 ]  - [  -0.0008709500000000, -0.0014008300000000,  0.0019147700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1768591300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0104426600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041992200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042031500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012707400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016719600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005537500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012800100000000 ]  - [  -0.0008948000000000, -0.0006866900000000,  0.0011213900000000 ]  - [  -0.0004159100000000, -0.0005849300000000,  0.0006366500000000 ]  - [   0.0014257500000000, -0.0000985800000000,  0.0033539000000000 ]  - [   0.0002906000000000, -0.0003914200000000, -0.0008868000000000 ]  - [  -0.0007982400000000, -0.0011854500000000,  0.0033539000000000 ]  - [  -0.0004842800000000, -0.0000559600000000, -0.0008868000000000 ]  - [   0.0010420900000000, -0.0004315700000000,  0.0011213900000000 ]  - [   0.0007145200000000, -0.0000677200000000,  0.0006366500000000 ]  - [  -0.0001472900000000,  0.0011182600000000,  0.0011213900000000 ]  - [  -0.0002986100000000,  0.0006526600000000,  0.0006366500000000 ]  - [  -0.0006275100000000,  0.0012840200000000,  0.0033539000000000 ]  - [   0.0001936700000000,  0.0004473800000000, -0.0008868000000000 ]  - [  -0.0024338300000000, -0.0020337100000000,  0.0006899200000000 ]  - [  -0.0017108500000000, -0.0023133200000000,  0.0000775100000000 ]  - [   0.0038545700000000,  0.0255838300000000,  0.0187289300000000 ]  - [   0.0014548600000000, -0.0012459200000000, -0.0030881400000000 ]  - [   0.0202289600000000, -0.0161300700000000,  0.0187289300000000 ]  - [  -0.0018064300000000, -0.0006369800000000, -0.0030881400000000 ]  - [   0.0029781600000000, -0.0010909000000000,  0.0006899200000000 ]  - [   0.0028588200000000, -0.0003249800000000,  0.0000775100000000 ]  - [  -0.0005443300000000,  0.0031246100000000,  0.0006899200000000 ]  - [  -0.0011479700000000,  0.0026383000000000,  0.0000775100000000 ]  - [  -0.0240835300000000, -0.0094537600000000,  0.0187289300000000 ]  - [   0.0003515700000000,  0.0018829100000000, -0.0030881400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0964078000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0072828000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056088900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055952600000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0101075100000000,  0.0048998200000000, -0.0034420500000000 ]  - [  -0.0066262900000000, -0.0009027800000000, -0.0054250000000000 ]  - [   0.0005450300000000, -0.0005733000000000,  0.0046311600000000 ]  - [  -0.0020509700000000,  0.0016216300000000, -0.0014195900000000 ]  - [  -0.0007690000000000, -0.0001853600000000,  0.0046311600000000 ]  - [   0.0024298600000000,  0.0009653800000000, -0.0014195900000000 ]  - [  -0.0092971300000000,  0.0063034500000000, -0.0034420500000000 ]  - [   0.0040949800000000, -0.0052871400000000, -0.0054250000000000 ]  - [  -0.0008103800000000, -0.0112032700000000, -0.0034420500000000 ]  - [   0.0025313100000000,  0.0061899300000000, -0.0054250000000000 ]  - [   0.0002239700000000,  0.0007586600000000,  0.0046311600000000 ]  - [  -0.0003788900000000, -0.0025870100000000, -0.0014195900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1870933500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0050429700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011102400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011173800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015038100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0011088000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022277200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015018700000000 ]  - [   0.0005174600000000, -0.0003797100000000,  0.0007846000000000 ]  - [   0.0000430000000000, -0.0004803800000000,  0.0012736700000000 ]  - [  -0.0006989000000000, -0.0007673700000000, -0.0014522400000000 ]  - [   0.0004412500000000, -0.0004704800000000,  0.0028001300000000 ]  - [  -0.0003151100000000,  0.0009889500000000, -0.0014522400000000 ]  - [  -0.0006280700000000, -0.0001468900000000,  0.0028001300000000 ]  - [   0.0000701100000000,  0.0006379900000000,  0.0007846000000000 ]  - [   0.0003945200000000,  0.0002774300000000,  0.0012736700000000 ]  - [  -0.0005875700000000, -0.0002582800000000,  0.0007846000000000 ]  - [  -0.0004375300000000,  0.0002029500000000,  0.0012736700000000 ]  - [   0.0010140100000000, -0.0002215800000000, -0.0014522400000000 ]  - [   0.0001868200000000,  0.0006173700000000,  0.0028001300000000 ]  - [  -0.0013172400000000, -0.0017225800000000, -0.0000969400000000 ]  - [  -0.0020528200000000, -0.0014495400000000,  0.0005171100000000 ]  - [  -0.0024239500000000, -0.0302833400000000, -0.0182125700000000 ]  - [  -0.0000726600000000, -0.0038823500000000,  0.0036666800000000 ]  - [  -0.0250141700000000,  0.0172408700000000, -0.0182125700000000 ]  - [  -0.0033258900000000,  0.0020041000000000,  0.0036666800000000 ]  - [   0.0021504100000000, -0.0002794700000000, -0.0000969400000000 ]  - [   0.0022817500000000, -0.0010530200000000,  0.0005171100000000 ]  - [  -0.0008331700000000,  0.0020020500000000, -0.0000969400000000 ]  - [  -0.0002289300000000,  0.0025025600000000,  0.0005171100000000 ]  - [   0.0274381200000000,  0.0130424700000000, -0.0182125700000000 ]  - [   0.0033985500000000,  0.0018782500000000,  0.0036666800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1127834300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0042235400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058997700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059039500000000 ]- atom:   17  displacement:    [   0.0100000000000000, -0.0000000000096814,  0.0000000000000000 ]  forces:  - [   0.0067369600000000,  0.0102349800000000, -0.0005168700000000 ]  - [   0.0006664000000000,  0.0021076400000000,  0.0004163100000000 ]  - [  -0.0011898400000000,  0.0014643400000000,  0.0005676000000000 ]  - [  -0.0017491800000000,  0.0013914300000000, -0.0000699500000000 ]  - [   0.0022962700000000,  0.0003982500000000, -0.0015473400000000 ]  - [   0.0026046100000000,  0.0001286100000000,  0.0024849500000000 ]  - [   0.0092077300000000, -0.0057187300000000,  0.0014558400000000 ]  - [  -0.0019118000000000, -0.0004655400000000,  0.0000342800000000 ]  - [  -0.0016613400000000, -0.0041221600000000, -0.0001403300000000 ]  - [   0.0013913200000000, -0.0015642900000000,  0.0002920000000000 ]  - [  -0.0003989700000000, -0.0020341900000000,  0.0017266400000000 ]  - [  -0.0003444400000000, -0.0014425500000000, -0.0016591300000000 ]  - [   0.0000461700000000,  0.0000175600000000,  0.0026598500000000 ]  - [  -0.0002089100000000,  0.0004062700000000,  0.0026652100000000 ]  - [   0.0020615600000000, -0.0008304700000000,  0.0026617100000000 ]  - [   0.0000159500000000, -0.0000204500000000,  0.0026644100000000 ]  - [  -0.0823856100000000, -0.0009531000000000, -0.0016124300000000 ]  - [  -0.0000555500000000, -0.0000013500000000, -0.0013915300000000 ]  - [  -0.0005092900000000,  0.0000483800000000, -0.0014017200000000 ]  - [  -0.0005076500000000, -0.0000445300000000, -0.0013872800000000 ]  - [   0.0387377400000000, -0.0171827300000000, -0.0027789000000000 ]  - [  -0.0000601700000000, -0.0005302500000000,  0.0009386900000000 ]  - [   0.0006383100000000, -0.0005181700000000,  0.0006943800000000 ]  - [   0.0009191200000000, -0.0003043800000000,  0.0013492700000000 ]  - [  -0.0002604100000000, -0.0001608400000000,  0.0008287900000000 ]  - [  -0.0000850400000000, -0.0000393600000000,  0.0009799400000000 ]  - [  -0.0017985500000000, -0.0069892600000000,  0.0015326800000000 ]  - [   0.0006725400000000,  0.0000770300000000,  0.0009595000000000 ]  - [   0.0275226700000000,  0.0253612400000000,  0.0042576700000000 ]  - [  -0.0002569300000000,  0.0004406300000000,  0.0009608800000000 ]  - [   0.0004666800000000,  0.0004718200000000,  0.0013394700000000 ]  - [   0.0007817500000000,  0.0005501800000000,  0.0005233000000000 ]  - [  -0.0021712300000000, -0.0013293600000000,  0.0005732400000000 ]  - [  -0.0019400000000000, -0.0017445800000000,  0.0002603900000000 ]  - [   0.0006230000000000, -0.0026243800000000,  0.0003140400000000 ]  - [   0.0010578300000000, -0.0028117600000000,  0.0001483400000000 ]  - [  -0.0025277300000000,  0.0006062700000000,  0.0002898000000000 ]  - [  -0.0022748500000000,  0.0006243300000000,  0.0003666100000000 ]  - [   0.0022039300000000, -0.0008738000000000, -0.0000433500000000 ]  - [   0.0025542200000000, -0.0008489400000000,  0.0003538900000000 ]  - [  -0.0016664900000000,  0.0028153300000000,  0.0003490900000000 ]  - [  -0.0009861100000000,  0.0025194000000000,  0.0002649200000000 ]  - [   0.0018920200000000,  0.0019085400000000,  0.0002771300000000 ]  - [   0.0020480800000000,  0.0016699800000000,  0.0003669600000000 ]  - [   0.0006773400000000, -0.0002753800000000, -0.0057499800000000 ]  - [  -0.0000246700000000, -0.0000656400000000, -0.0057522700000000 ]  - [  -0.0001563600000000,  0.0000565100000000, -0.0057524500000000 ]  - [  -0.0006910900000000,  0.0001974600000000, -0.0057542400000000 ]- atom:   17  displacement:    [  -0.0100000000000000,  0.0000000000096814,  0.0000000000000000 ]  forces:  - [  -0.0057461000000000, -0.0064300800000000,  0.0010602900000000 ]  - [   0.0005853800000000,  0.0018821600000000,  0.0000777600000000 ]  - [  -0.0016384900000000,  0.0016147400000000, -0.0000476700000000 ]  - [  -0.0010796200000000,  0.0016736200000000,  0.0005440400000000 ]  - [   0.0017842200000000,  0.0005146200000000,  0.0020311500000000 ]  - [   0.0014771000000000,  0.0007893000000000, -0.0019527300000000 ]  - [  -0.0128571500000000,  0.0046620400000000, -0.0009081600000000 ]  - [  -0.0021710000000000, -0.0004432500000000,  0.0004639700000000 ]  - [   0.0044945000000000,  0.0010255400000000,  0.0006512000000000 ]  - [   0.0014423300000000, -0.0015178700000000,  0.0002027100000000 ]  - [  -0.0008505900000000, -0.0019619400000000, -0.0012326000000000 ]  - [  -0.0009048000000000, -0.0025386200000000,  0.0021695600000000 ]  - [  -0.0000430400000000, -0.0000219000000000,  0.0026584700000000 ]  - [   0.0002183100000000, -0.0004012100000000,  0.0026634500000000 ]  - [  -0.0020597900000000,  0.0008048600000000,  0.0026603800000000 ]  - [  -0.0000202500000000,  0.0000244900000000,  0.0026627700000000 ]  - [   0.0832410700000000, -0.0009514600000000, -0.0016138400000000 ]  - [   0.0000543900000000, -0.0000015200000000, -0.0013907200000000 ]  - [   0.0005061800000000, -0.0000414400000000, -0.0014017600000000 ]  - [   0.0005080200000000,  0.0000447500000000, -0.0013862300000000 ]  - [  -0.0410421300000000,  0.0170820100000000,  0.0048878600000000 ]  - [  -0.0003242800000000, -0.0005343100000000,  0.0009669300000000 ]  - [   0.0000924500000000, -0.0003534200000000,  0.0012132800000000 ]  - [  -0.0001872000000000, -0.0005767200000000,  0.0005484100000000 ]  - [  -0.0008513500000000, -0.0000336500000000,  0.0010776900000000 ]  - [  -0.0010265500000000, -0.0001577500000000,  0.0009271400000000 ]  - [   0.0028075000000000,  0.0073986300000000,  0.0003412400000000 ]  - [   0.0004408700000000,  0.0001233100000000,  0.0009462000000000 ]  - [  -0.0272710400000000, -0.0233996300000000, -0.0022177500000000 ]  - [  -0.0004727700000000,  0.0004239500000000,  0.0009440800000000 ]  - [  -0.0000835900000000,  0.0005847200000000,  0.0005688800000000 ]  - [  -0.0003897800000000,  0.0005034500000000,  0.0013749300000000 ]  - [  -0.0015889300000000, -0.0024178100000000,  0.0000167400000000 ]  - [  -0.0018192300000000, -0.0020165700000000,  0.0003273000000000 ]  - [   0.0007540400000000, -0.0025133400000000,  0.0002747100000000 ]  - [   0.0003284400000000, -0.0023223200000000,  0.0004399200000000 ]  - [  -0.0026144000000000,  0.0007720700000000,  0.0002971700000000 ]  - [  -0.0028715900000000,  0.0007471800000000,  0.0002174300000000 ]  - [   0.0029491100000000, -0.0004827100000000,  0.0006213400000000 ]  - [   0.0025890000000000, -0.0005259200000000,  0.0002319400000000 ]  - [   0.0002785000000000,  0.0023227800000000,  0.0002425800000000 ]  - [  -0.0003934400000000,  0.0026163000000000,  0.0003218000000000 ]  - [   0.0018650000000000,  0.0018570300000000,  0.0003108400000000 ]  - [   0.0017001500000000,  0.0020896800000000,  0.0002265100000000 ]  - [  -0.0006761900000000,  0.0002628200000000, -0.0057525000000000 ]  - [   0.0000232000000000,  0.0000647200000000, -0.0057546900000000 ]  - [   0.0001557400000000, -0.0000547300000000, -0.0057551300000000 ]  - [   0.0006877900000000, -0.0001865700000000, -0.0057568800000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0013845600000000,  0.0011679700000000, -0.0013563400000000 ]  - [   0.0007418200000000,  0.0021220700000000,  0.0009357200000000 ]  - [  -0.0013711000000000,  0.0007757200000000,  0.0003538800000000 ]  - [  -0.0015361800000000,  0.0026040000000000, -0.0012021900000000 ]  - [   0.0013573400000000,  0.0007995500000000,  0.0003538800000000 ]  - [   0.0030232200000000,  0.0000283700000000, -0.0012021900000000 ]  - [  -0.0003192100000000, -0.0017830500000000, -0.0013563400000000 ]  - [  -0.0022086700000000, -0.0004186000000000,  0.0009357200000000 ]  - [   0.0017037700000000,  0.0006150800000000, -0.0013563400000000 ]  - [   0.0014668500000000, -0.0017034700000000,  0.0009357200000000 ]  - [   0.0000137600000000, -0.0015752700000000,  0.0003538800000000 ]  - [  -0.0014870400000000, -0.0026323700000000, -0.0012021900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027736200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023871700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0034944000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027745100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0256470700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012521600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0080610000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0075041200000000 ]  - [  -0.0020331100000000, -0.0008085900000000,  0.0036363900000000 ]  - [  -0.0002827500000000, -0.0004541100000000,  0.0006862000000000 ]  - [  -0.0002927700000000, -0.0010176000000000,  0.0014986900000000 ]  - [   0.0010396400000000,  0.0002633000000000,  0.0017008900000000 ]  - [  -0.0007348800000000,  0.0007623500000000,  0.0014986900000000 ]  - [  -0.0002917900000000, -0.0010320000000000,  0.0017008900000000 ]  - [   0.0017168200000000, -0.0013564300000000,  0.0036363900000000 ]  - [   0.0005346400000000, -0.0000178100000000,  0.0006862000000000 ]  - [   0.0003162900000000,  0.0021650200000000,  0.0036363900000000 ]  - [  -0.0002519000000000,  0.0004719200000000,  0.0006862000000000 ]  - [   0.0010276600000000,  0.0002552500000000,  0.0014986900000000 ]  - [  -0.0007478400000000,  0.0007687000000000,  0.0017008900000000 ]  - [  -0.0019916300000000, -0.0017947300000000,  0.0003787500000000 ]  - [  -0.0019750900000000, -0.0018901300000000,  0.0002873200000000 ]  - [   0.0007174300000000, -0.0025268100000000,  0.0001484200000000 ]  - [   0.0007462300000000, -0.0024678300000000,  0.0004680400000000 ]  - [  -0.0025470000000000,  0.0006420900000000,  0.0001484200000000 ]  - [  -0.0025103200000000,  0.0005876600000000,  0.0004680400000000 ]  - [   0.0025501000000000, -0.0008274400000000,  0.0003787500000000 ]  - [   0.0026244400000000, -0.0007654200000000,  0.0002873200000000 ]  - [  -0.0005584700000000,  0.0026221700000000,  0.0003787500000000 ]  - [  -0.0006493500000000,  0.0026555400000000,  0.0002873200000000 ]  - [   0.0018295700000000,  0.0018847200000000,  0.0001484200000000 ]  - [   0.0017640900000000,  0.0018801700000000,  0.0004680400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0056971700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057477800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059094500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053484700000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0026703600000000,  0.0028541100000000,  0.0018367500000000 ]  - [   0.0005074300000000,  0.0018682600000000, -0.0004410300000000 ]  - [  -0.0014635100000000,  0.0022900800000000,  0.0001163400000000 ]  - [  -0.0012940900000000,  0.0004649800000000,  0.0017383600000000 ]  - [   0.0027150300000000,  0.0001224000000000,  0.0001163400000000 ]  - [   0.0010497300000000,  0.0008882300000000,  0.0017383600000000 ]  - [  -0.0038069200000000,  0.0008855500000000,  0.0018367500000000 ]  - [  -0.0018716800000000, -0.0004946900000000, -0.0004410300000000 ]  - [   0.0011365500000000, -0.0037396600000000,  0.0018367500000000 ]  - [   0.0013642500000000, -0.0013735800000000, -0.0004410300000000 ]  - [  -0.0012515100000000, -0.0024124800000000,  0.0001163400000000 ]  - [   0.0002443600000000, -0.0013532000000000,  0.0017383600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025400200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029454400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018186300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025492800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0229015200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015297500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0102748300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0108325800000000 ]  - [   0.0016990100000000, -0.0002798200000000, -0.0017333400000000 ]  - [  -0.0001078300000000, -0.0006082900000000,  0.0012204600000000 ]  - [   0.0010033400000000,  0.0001407300000000,  0.0004153700000000 ]  - [  -0.0003207400000000, -0.0011413500000000,  0.0002013800000000 ]  - [  -0.0003798000000000, -0.0009392800000000,  0.0004153700000000 ]  - [  -0.0008280700000000,  0.0008484500000000,  0.0002013800000000 ]  - [  -0.0006071800000000,  0.0016113000000000, -0.0017333400000000 ]  - [   0.0005807100000000,  0.0002107600000000,  0.0012204600000000 ]  - [  -0.0010918400000000, -0.0013314800000000, -0.0017333400000000 ]  - [  -0.0004728800000000,  0.0003975300000000,  0.0012204600000000 ]  - [  -0.0006235400000000,  0.0007985600000000,  0.0004153700000000 ]  - [   0.0011488100000000,  0.0002929000000000,  0.0002013800000000 ]  - [  -0.0017674000000000, -0.0019752500000000,  0.0002132300000000 ]  - [  -0.0017838600000000, -0.0018765700000000,  0.0002905300000000 ]  - [   0.0006625600000000, -0.0026167800000000,  0.0004331600000000 ]  - [   0.0006384100000000, -0.0026722100000000,  0.0001115100000000 ]  - [  -0.0025974800000000,  0.0007346000000000,  0.0004331600000000 ]  - [  -0.0026334100000000,  0.0007832200000000,  0.0001115100000000 ]  - [   0.0025943100000000, -0.0005429900000000,  0.0002132300000000 ]  - [   0.0025170900000000, -0.0006065900000000,  0.0002905300000000 ]  - [  -0.0008269100000000,  0.0025182400000000,  0.0002132300000000 ]  - [  -0.0007332300000000,  0.0024831500000000,  0.0002905300000000 ]  - [   0.0019349200000000,  0.0018821900000000,  0.0004331600000000 ]  - [   0.0019949900000000,  0.0018889900000000,  0.0001115100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058092800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057585700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055921100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0061658600000000 ]- atom:   21  displacement:    [   0.0100000000000000, -0.0000000000096814,  0.0000000000000000 ]  forces:  - [   0.0037842100000000,  0.0027619400000000,  0.0005160400000000 ]  - [   0.0005883900000000,  0.0017931200000000,  0.0002399500000000 ]  - [  -0.0015888800000000,  0.0019981200000000,  0.0001435100000000 ]  - [  -0.0011848500000000,  0.0021634300000000,  0.0005453400000000 ]  - [   0.0050662000000000,  0.0009649600000000,  0.0016580800000000 ]  - [   0.0056355000000000,  0.0005392300000000,  0.0005732200000000 ]  - [  -0.0029096100000000, -0.0003558900000000,  0.0005064400000000 ]  - [  -0.0022503700000000, -0.0003804700000000,  0.0001959900000000 ]  - [   0.0110355100000000,  0.0043324500000000,  0.0010820300000000 ]  - [   0.0018471000000000, -0.0018112700000000,  0.0001605900000000 ]  - [  -0.0022872000000000, -0.0017027300000000,  0.0000505600000000 ]  - [  -0.0018213100000000, -0.0021379000000000,  0.0011083900000000 ]  - [   0.0001179200000000, -0.0001811300000000,  0.0019515600000000 ]  - [   0.0009139500000000, -0.0023611600000000,  0.0024272100000000 ]  - [  -0.0018193100000000,  0.0017497300000000,  0.0034713600000000 ]  - [  -0.0001876700000000,  0.0001826400000000,  0.0026540300000000 ]  - [   0.0408284600000000, -0.0176312900000000, -0.0033750100000000 ]  - [   0.0001338400000000,  0.0000079100000000, -0.0014881900000000 ]  - [   0.0005829300000000, -0.0001207300000000, -0.0004493400000000 ]  - [   0.0002703900000000,  0.0000814800000000, -0.0022283800000000 ]  - [  -0.0773509600000000,  0.0067230300000000,  0.0014994600000000 ]  - [  -0.0009550500000000, -0.0004731900000000,  0.0012529300000000 ]  - [  -0.0002066100000000, -0.0005547500000000,  0.0010362900000000 ]  - [  -0.0005088400000000, -0.0002068600000000,  0.0003366400000000 ]  - [  -0.0002623700000000,  0.0003497900000000,  0.0039638300000000 ]  - [  -0.0003123000000000,  0.0004972400000000, -0.0015625600000000 ]  - [   0.0028923300000000, -0.0015401000000000,  0.0004565100000000 ]  - [   0.0004969500000000,  0.0000057200000000,  0.0008956400000000 ]  - [   0.0060414700000000, -0.0002434900000000,  0.0003038000000000 ]  - [  -0.0001442000000000,  0.0003652600000000,  0.0008665700000000 ]  - [   0.0002846000000000,  0.0006107300000000,  0.0008656800000000 ]  - [   0.0002878600000000,  0.0003148200000000,  0.0007166000000000 ]  - [  -0.0018370200000000, -0.0055296900000000, -0.0012699500000000 ]  - [  -0.0019913200000000, -0.0024016600000000,  0.0005497500000000 ]  - [   0.0007945900000000, -0.0022780600000000,  0.0003367500000000 ]  - [   0.0032760600000000,  0.0019885900000000,  0.0019696400000000 ]  - [  -0.0023913200000000,  0.0009353800000000,  0.0004932200000000 ]  - [  -0.0013304600000000,  0.0019656700000000, -0.0003937400000000 ]  - [   0.0028635000000000, -0.0003670700000000,  0.0000532800000000 ]  - [   0.0027778200000000, -0.0008346800000000,  0.0004288200000000 ]  - [   0.0049407200000000,  0.0015265500000000, -0.0017509900000000 ]  - [  -0.0002020900000000,  0.0026093700000000,  0.0004727400000000 ]  - [   0.0017024500000000,  0.0020174700000000,  0.0002614100000000 ]  - [   0.0020517600000000,  0.0035690100000000, -0.0005950400000000 ]  - [   0.0003947600000000,  0.0017214800000000, -0.0047372200000000 ]  - [  -0.0000134400000000,  0.0005497400000000, -0.0054217200000000 ]  - [   0.0001802400000000, -0.0001260600000000, -0.0057749100000000 ]  - [   0.0017656800000000, -0.0010866700000000, -0.0049968200000000 ]- atom:   21  displacement:    [  -0.0100000000000000,  0.0000000000096814,  0.0000000000000000 ]  forces:  - [  -0.0025656600000000,  0.0012748500000000, -0.0000223400000000 ]  - [   0.0006357000000000,  0.0021846400000000,  0.0002543000000000 ]  - [  -0.0012355500000000,  0.0010558300000000,  0.0003629900000000 ]  - [  -0.0016422800000000,  0.0008735200000000, -0.0000529400000000 ]  - [  -0.0010039400000000, -0.0000353400000000, -0.0011636100000000 ]  - [  -0.0015643300000000,  0.0003994000000000, -0.0000275700000000 ]  - [  -0.0010942000000000, -0.0005796000000000, -0.0000025800000000 ]  - [  -0.0018097100000000, -0.0005480400000000,  0.0003068700000000 ]  - [  -0.0080220500000000, -0.0070763400000000, -0.0005723700000000 ]  - [   0.0009929100000000, -0.0012398500000000,  0.0003354800000000 ]  - [   0.0010602100000000, -0.0022827800000000,  0.0004498900000000 ]  - [   0.0006019000000000, -0.0018339300000000, -0.0006078700000000 ]  - [  -0.0001154200000000,  0.0001755400000000,  0.0033746200000000 ]  - [  -0.0009239000000000,  0.0023598200000000,  0.0028994000000000 ]  - [   0.0018200400000000, -0.0017611400000000,  0.0018432500000000 ]  - [   0.0001830900000000, -0.0001763800000000,  0.0026737400000000 ]  - [  -0.0389551100000000,  0.0167068800000000,  0.0003801000000000 ]  - [  -0.0001342400000000, -0.0000118100000000, -0.0012954400000000 ]  - [  -0.0005844000000000,  0.0001230400000000, -0.0023275000000000 ]  - [  -0.0002748700000000, -0.0000777200000000, -0.0005602800000000 ]  - [   0.0747996400000000, -0.0072398400000000,  0.0005852900000000 ]  - [   0.0005348100000000, -0.0005808700000000,  0.0006507800000000 ]  - [   0.0009079800000000, -0.0003305700000000,  0.0008594000000000 ]  - [   0.0012098500000000, -0.0006794700000000,  0.0015789300000000 ]  - [  -0.0008529600000000, -0.0005090300000000, -0.0020393400000000 ]  - [  -0.0008000600000000, -0.0006537000000000,  0.0034495500000000 ]  - [  -0.0017546100000000,  0.0016862100000000,  0.0014454500000000 ]  - [   0.0006210300000000,  0.0001607200000000,  0.0010073300000000 ]  - [  -0.0066301700000000,  0.0011615300000000,  0.0015983900000000 ]  - [  -0.0005579600000000,  0.0005209700000000,  0.0010391800000000 ]  - [   0.0001264800000000,  0.0004368600000000,  0.0010354300000000 ]  - [   0.0001276800000000,  0.0007388200000000,  0.0011926600000000 ]  - [  -0.0019168400000000,  0.0017658100000000,  0.0018561200000000 ]  - [  -0.0017716400000000, -0.0013617000000000,  0.0000347400000000 ]  - [   0.0005802600000000, -0.0028592100000000,  0.0002495400000000 ]  - [  -0.0019138500000000, -0.0071720300000000, -0.0014101100000000 ]  - [  -0.0027498000000000,  0.0004497600000000,  0.0000898700000000 ]  - [  -0.0038029000000000, -0.0005702000000000,  0.0009791100000000 ]  - [   0.0022753500000000, -0.0010029500000000,  0.0005306100000000 ]  - [   0.0023632300000000, -0.0005452300000000,  0.0001519200000000 ]  - [  -0.0064046100000000,  0.0036195600000000,  0.0023841300000000 ]  - [  -0.0011663700000000,  0.0025289900000000,  0.0001141600000000 ]  - [   0.0020580000000000,  0.0017471300000000,  0.0003238100000000 ]  - [   0.0016920400000000,  0.0001827100000000,  0.0011810400000000 ]  - [  -0.0003902700000000, -0.0017069300000000, -0.0067688200000000 ]  - [   0.0000141300000000, -0.0005529200000000, -0.0060975600000000 ]  - [  -0.0001783900000000,  0.0001256000000000, -0.0057363000000000 ]  - [  -0.0017882600000000,  0.0011093700000000, -0.0065334400000000 ]- atom:   21  displacement:    [  -0.0049999999977245,  0.0086602540391582,  0.0000000000000000 ]  forces:  - [  -0.0016695000000000,  0.0116484800000000, -0.0006193700000000 ]  - [   0.0003153200000000,  0.0020000900000000,  0.0003517100000000 ]  - [   0.0001354600000000,  0.0000964600000000,  0.0004791400000000 ]  - [  -0.0008651900000000,  0.0002212300000000, -0.0007018900000000 ]  - [   0.0005118900000000,  0.0039507100000000, -0.0003067400000000 ]  - [   0.0009640300000000,  0.0041684000000000,  0.0007050100000000 ]  - [  -0.0015494500000000,  0.0001685200000000,  0.0005899800000000 ]  - [  -0.0018473400000000, -0.0003152000000000,  0.0002582100000000 ]  - [   0.0029995300000000,  0.0054554200000000,  0.0012455600000000 ]  - [   0.0012698600000000, -0.0018320800000000,  0.0004441000000000 ]  - [  -0.0004737200000000, -0.0023840600000000,  0.0002190400000000 ]  - [  -0.0002718500000000, -0.0018141000000000,  0.0000910200000000 ]  - [  -0.0003276300000000,  0.0000485000000000,  0.0028873900000000 ]  - [  -0.0007818100000000, -0.0002252100000000,  0.0027420700000000 ]  - [   0.0030970400000000, -0.0014546100000000,  0.0016042600000000 ]  - [   0.0001621400000000, -0.0001186500000000,  0.0027471200000000 ]  - [  -0.0340716000000000,  0.0113929600000000, -0.0007466200000000 ]  - [  -0.0000660800000000,  0.0000815400000000, -0.0012729300000000 ]  - [  -0.0002717100000000,  0.0004875200000000, -0.0020610600000000 ]  - [  -0.0001868200000000,  0.0002149500000000, -0.0007371900000000 ]  - [   0.0431574700000000, -0.0540684300000000, -0.0033026900000000 ]  - [   0.0002084900000000, -0.0010266600000000,  0.0005687000000000 ]  - [  -0.0002529300000000,  0.0006167900000000, -0.0028813200000000 ]  - [   0.0007941800000000, -0.0001051900000000,  0.0038732500000000 ]  - [  -0.0001490000000000, -0.0008383900000000,  0.0015220400000000 ]  - [   0.0005964500000000, -0.0000606900000000,  0.0001905200000000 ]  - [  -0.0045304300000000,  0.0043934000000000,  0.0015695700000000 ]  - [   0.0003426400000000,  0.0001968700000000,  0.0010664300000000 ]  - [  -0.0015694400000000,  0.0008662500000000,  0.0016158400000000 ]  - [  -0.0003403600000000,  0.0003247000000000,  0.0008733200000000 ]  - [  -0.0000155200000000,  0.0002445000000000,  0.0009555600000000 ]  - [   0.0002453300000000,  0.0003942100000000,  0.0011695400000000 ]  - [  -0.0056098300000000,  0.0061582300000000,  0.0047479200000000 ]  - [  -0.0019920500000000, -0.0015425600000000,  0.0000706900000000 ]  - [   0.0008365700000000, -0.0027749400000000,  0.0003620000000000 ]  - [   0.0024188500000000, -0.0028045200000000,  0.0010502500000000 ]  - [  -0.0023207600000000,  0.0010392500000000,  0.0002515000000000 ]  - [  -0.0004526900000000,  0.0033204700000000,  0.0010304300000000 ]  - [   0.0013968600000000,  0.0013868400000000, -0.0005223800000000 ]  - [   0.0023624900000000, -0.0002992500000000,  0.0000873400000000 ]  - [  -0.0039019300000000,  0.0024667200000000,  0.0016044800000000 ]  - [  -0.0013361500000000,  0.0025274200000000, -0.0000230100000000 ]  - [   0.0020627200000000,  0.0019388400000000,  0.0002604400000000 ]  - [   0.0017465400000000,  0.0028979000000000, -0.0000513400000000 ]  - [   0.0010661200000000,  0.0015812900000000, -0.0059271400000000 ]  - [   0.0001843400000000,  0.0001207300000000, -0.0056790200000000 ]  - [  -0.0000706800000000,  0.0000934900000000, -0.0058240600000000 ]  - [  -0.0019498500000000,  0.0011618500000000, -0.0065776800000000 ]- atom:   21  displacement:    [   0.0049999999977245, -0.0086602540391582,  0.0000000000000000 ]  forces:  - [   0.0028294900000000, -0.0082799600000000,  0.0011484400000000 ]  - [   0.0009324700000000,  0.0019830800000000,  0.0001458300000000 ]  - [  -0.0029641200000000,  0.0029764700000000,  0.0000174900000000 ]  - [  -0.0019685700000000,  0.0028393000000000,  0.0012097700000000 ]  - [   0.0035534900000000, -0.0030381800000000,  0.0008217200000000 ]  - [   0.0031162500000000, -0.0032693500000000, -0.0001518400000000 ]  - [  -0.0024948200000000, -0.0011113500000000, -0.0000827100000000 ]  - [  -0.0022287500000000, -0.0006029700000000,  0.0002426300000000 ]  - [  -0.0000681300000000, -0.0084376300000000, -0.0007331500000000 ]  - [   0.0015616200000000, -0.0012360600000000,  0.0000546900000000 ]  - [  -0.0007612300000000, -0.0016015100000000,  0.0002850300000000 ]  - [  -0.0009619200000000, -0.0021617600000000,  0.0003976600000000 ]  - [   0.0003297400000000, -0.0000517200000000,  0.0024367300000000 ]  - [   0.0007940900000000,  0.0002070200000000,  0.0025917200000000 ]  - [  -0.0031050100000000,  0.0014657800000000,  0.0037154000000000 ]  - [  -0.0001676900000000,  0.0001254300000000,  0.0025835100000000 ]  - [   0.0354858000000000, -0.0117119300000000, -0.0021754200000000 ]  - [   0.0000656000000000, -0.0000864100000000, -0.0015108000000000 ]  - [   0.0002703500000000, -0.0004825800000000, -0.0007190100000000 ]  - [   0.0001827500000000, -0.0002078500000000, -0.0020504900000000 ]  - [  -0.0449747500000000,  0.0539275300000000,  0.0051720000000000 ]  - [  -0.0006043900000000, -0.0000296200000000,  0.0013338800000000 ]  - [   0.0009709300000000, -0.0014919400000000,  0.0048136600000000 ]  - [  -0.0000732100000000, -0.0007762100000000, -0.0019954800000000 ]  - [  -0.0009742300000000,  0.0006387600000000,  0.0003669900000000 ]  - [  -0.0017174600000000, -0.0001380800000000,  0.0017214800000000 ]  - [   0.0057080200000000, -0.0042980900000000,  0.0003337500000000 ]  - [   0.0007729000000000, -0.0000028700000000,  0.0008389800000000 ]  - [   0.0008381700000000, -0.0000091100000000,  0.0002845900000000 ]  - [  -0.0003827300000000,  0.0005462900000000,  0.0010309700000000 ]  - [   0.0004053700000000,  0.0008184700000000,  0.0009467900000000 ]  - [   0.0001481200000000,  0.0006692500000000,  0.0007385100000000 ]  - [   0.0018277400000000, -0.0098115600000000, -0.0040865400000000 ]  - [  -0.0017656900000000, -0.0022255400000000,  0.0005140500000000 ]  - [   0.0005411800000000, -0.0023601400000000,  0.0002228200000000 ]  - [  -0.0010310700000000, -0.0022972600000000, -0.0004575900000000 ]  - [  -0.0028252300000000,  0.0003357600000000,  0.0003317400000000 ]  - [  -0.0047006400000000, -0.0019600200000000, -0.0004687000000000 ]  - [   0.0037486500000000, -0.0027855800000000,  0.0011153500000000 ]  - [   0.0027802000000000, -0.0010797600000000,  0.0004933400000000 ]  - [   0.0025005300000000,  0.0026568200000000, -0.0010015400000000 ]  - [  -0.0000355800000000,  0.0026108300000000,  0.0006084600000000 ]  - [   0.0016977800000000,  0.0018236000000000,  0.0003243600000000 ]  - [   0.0020157300000000,  0.0008771300000000,  0.0006350200000000 ]  - [  -0.0010813200000000, -0.0015907800000000, -0.0055800600000000 ]  - [  -0.0001858500000000, -0.0001196200000000, -0.0058278100000000 ]  - [   0.0000743700000000, -0.0000972300000000, -0.0056851200000000 ]  - [   0.0019210400000000, -0.0011488600000000, -0.0049510800000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0018709300000000,  0.0010850900000000,  0.0060471800000000 ]  - [   0.0005742100000000,  0.0018857400000000, -0.0026777600000000 ]  - [  -0.0020780100000000,  0.0021213900000000, -0.0003244300000000 ]  - [  -0.0007001400000000,  0.0012754800000000,  0.0008397500000000 ]  - [   0.0032250100000000,  0.0001279600000000,  0.0001382400000000 ]  - [   0.0027415700000000, -0.0003287500000000,  0.0132686700000000 ]  - [  -0.0027560900000000,  0.0001432900000000,  0.0017146500000000 ]  - [  -0.0021741100000000, -0.0009115100000000, -0.0009898300000000 ]  - [   0.0007837000000000, -0.0014494300000000,  0.0060363700000000 ]  - [   0.0015172200000000, -0.0013186900000000, -0.0026413200000000 ]  - [  -0.0015028500000000, -0.0021185200000000, -0.0002263600000000 ]  - [   0.0002950000000000, -0.0019828400000000,  0.0009728300000000 ]  - [   0.0003163000000000, -0.0000687100000000,  0.0028422100000000 ]  - [   0.0005432900000000, -0.0010738500000000,  0.0023384300000000 ]  - [   0.0005836100000000, -0.0003460600000000,  0.0050615600000000 ]  - [  -0.0003008800000000,  0.0005250900000000,  0.0008219600000000 ]  - [  -0.0038882300000000,  0.0015451700000000,  0.0013112800000000 ]  - [  -0.0000163500000000, -0.0000010600000000, -0.0016588600000000 ]  - [   0.0004276200000000, -0.0002153100000000, -0.0006417400000000 ]  - [  -0.0003842800000000,  0.0000787700000000, -0.0008511900000000 ]  - [   0.0005168500000000, -0.0052477100000000, -0.0403923500000000 ]  - [   0.0001142300000000, -0.0008025000000000,  0.0058551700000000 ]  - [   0.0011307600000000, -0.0037954100000000,  0.0041238800000000 ]  - [  -0.0002099400000000,  0.0033420800000000,  0.0039470200000000 ]  - [   0.0017736900000000,  0.0019730800000000,  0.0039635800000000 ]  - [  -0.0042956800000000, -0.0023572600000000,  0.0041060900000000 ]  - [   0.0005240200000000, -0.0006544800000000, -0.0009914400000000 ]  - [   0.0007232800000000,  0.0000942900000000,  0.0020212200000000 ]  - [   0.0002402500000000,  0.0006545100000000, -0.0009905900000000 ]  - [  -0.0002493400000000,  0.0004320800000000,  0.0020201300000000 ]  - [   0.0004325100000000,  0.0004189000000000,  0.0008200500000000 ]  - [   0.0002807700000000,  0.0005735300000000,  0.0008282300000000 ]  - [  -0.0037750200000000,  0.0027518700000000,  0.0010738200000000 ]  - [  -0.0016258100000000, -0.0032807000000000,  0.0012070600000000 ]  - [   0.0000548700000000, -0.0032641900000000,  0.0008177000000000 ]  - [   0.0030784000000000,  0.0007402700000000,  0.0003066000000000 ]  - [  -0.0026574200000000,  0.0010706500000000,  0.0008780400000000 ]  - [  -0.0026050900000000,  0.0002105400000000, -0.0007249400000000 ]  - [   0.0024539900000000, -0.0005751300000000, -0.0001105800000000 ]  - [   0.0024275800000000, -0.0006979600000000,  0.0007501600000000 ]  - [  -0.0037203200000000,  0.0030181600000000,  0.0000215000000000 ]  - [   0.0018601500000000,  0.0028898800000000,  0.0016472400000000 ]  - [   0.0020051900000000,  0.0018139700000000,  0.0006546700000000 ]  - [   0.0020151000000000,  0.0021988900000000, -0.0000642600000000 ]  - [  -0.0001441500000000, -0.0002731800000000, -0.0060900600000000 ]  - [   0.0000079300000000,  0.0000450700000000, -0.0053349100000000 ]  - [  -0.0007007300000000,  0.0006001200000000, -0.0046951100000000 ]  - [   0.0012664400000000, -0.0008526400000000, -0.0070295500000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0006300000000000,  0.0029053700000000, -0.0055452500000000 ]  - [   0.0006872100000000,  0.0021119400000000,  0.0031694800000000 ]  - [  -0.0007570300000000,  0.0009714300000000,  0.0008342100000000 ]  - [  -0.0021329500000000,  0.0018060100000000, -0.0003607900000000 ]  - [   0.0007763900000000,  0.0008115900000000,  0.0007647300000000 ]  - [   0.0011158600000000,  0.0013340200000000, -0.0136267800000000 ]  - [  -0.0013222000000000, -0.0010498600000000, -0.0012131900000000 ]  - [  -0.0019094500000000,  0.0000104700000000,  0.0014910900000000 ]  - [   0.0020129900000000, -0.0016416100000000, -0.0055488000000000 ]  - [   0.0013103400000000, -0.0017748600000000,  0.0031371000000000 ]  - [   0.0002384200000000, -0.0018716100000000,  0.0007392500000000 ]  - [  -0.0015537100000000, -0.0020103800000000, -0.0004979200000000 ]  - [  -0.0003102600000000,  0.0000639700000000,  0.0025088300000000 ]  - [  -0.0005407500000000,  0.0010675600000000,  0.0029792300000000 ]  - [  -0.0005870600000000,  0.0003452900000000,  0.0002581900000000 ]  - [   0.0003038800000000, -0.0005284900000000,  0.0045128800000000 ]  - [   0.0037741500000000, -0.0015030100000000, -0.0040557600000000 ]  - [   0.0000130300000000, -0.0000025000000000, -0.0011221900000000 ]  - [  -0.0004247900000000,  0.0002169300000000, -0.0021387600000000 ]  - [   0.0003858900000000, -0.0000767300000000, -0.0019323200000000 ]  - [  -0.0003950500000000,  0.0040105500000000,  0.0426856900000000 ]  - [  -0.0004918300000000, -0.0002653700000000, -0.0039470300000000 ]  - [  -0.0004037200000000,  0.0028735800000000, -0.0021969500000000 ]  - [   0.0009417400000000, -0.0042592400000000, -0.0020509300000000 ]  - [  -0.0028536400000000, -0.0021283000000000, -0.0020346300000000 ]  - [   0.0032215600000000,  0.0021922200000000, -0.0022145000000000 ]  - [   0.0005623000000000,  0.0008576800000000,  0.0028996900000000 ]  - [   0.0003934000000000,  0.0000991800000000, -0.0001176000000000 ]  - [  -0.0009930800000000,  0.0002287200000000,  0.0029004700000000 ]  - [  -0.0004737200000000,  0.0004374000000000, -0.0001186400000000 ]  - [  -0.0000392700000000,  0.0006406000000000,  0.0010763400000000 ]  - [   0.0001157900000000,  0.0004844200000000,  0.0010845900000000 ]  - [   0.0000188500000000, -0.0064980500000000, -0.0005042900000000 ]  - [  -0.0021359400000000, -0.0004638400000000, -0.0006254100000000 ]  - [   0.0013170900000000, -0.0018838900000000, -0.0002331400000000 ]  - [  -0.0017072600000000, -0.0058827600000000,  0.0002994500000000 ]  - [  -0.0024875000000000,  0.0003084600000000, -0.0002954900000000 ]  - [  -0.0025434400000000,  0.0011678100000000,  0.0013310000000000 ]  - [   0.0026838700000000, -0.0007862900000000,  0.0006861000000000 ]  - [   0.0027153200000000, -0.0006783700000000, -0.0001640900000000 ]  - [   0.0023226200000000,  0.0021189100000000,  0.0005541900000000 ]  - [  -0.0032752300000000,  0.0022422700000000, -0.0010738200000000 ]  - [   0.0017532300000000,  0.0019526700000000, -0.0000736400000000 ]  - [   0.0017480500000000,  0.0015595800000000,  0.0006598600000000 ]  - [   0.0001491800000000,  0.0002599000000000, -0.0054368200000000 ]  - [  -0.0000073500000000, -0.0000432100000000, -0.0061635500000000 ]  - [   0.0006884900000000, -0.0005887800000000, -0.0068138500000000 ]  - [  -0.0012744000000000,  0.0008586000000000, -0.0044662200000000 ]- atom:   33  displacement:    [   0.0100000000000000, -0.0000000000096814,  0.0000000000000000 ]  forces:  - [  -0.0001898300000000,  0.0042726000000000, -0.0009374000000000 ]  - [   0.0000888800000000,  0.0023702400000000,  0.0003962700000000 ]  - [   0.0108662300000000, -0.0077115200000000, -0.0074068200000000 ]  - [  -0.0006698000000000,  0.0021353800000000,  0.0006555100000000 ]  - [   0.0061140700000000,  0.0034340000000000, -0.0015811600000000 ]  - [   0.0033141400000000, -0.0000939700000000,  0.0011651800000000 ]  - [  -0.0025724600000000, -0.0023498400000000, -0.0002800300000000 ]  - [  -0.0015646100000000, -0.0011956300000000,  0.0002155900000000 ]  - [   0.0045279800000000, -0.0031173300000000, -0.0032840100000000 ]  - [   0.0012174300000000, -0.0013207800000000, -0.0004288200000000 ]  - [  -0.0036639300000000, -0.0035170600000000,  0.0015440000000000 ]  - [  -0.0020535400000000, -0.0023121300000000,  0.0006492100000000 ]  - [  -0.0012742800000000, -0.0002968900000000,  0.0020964000000000 ]  - [  -0.0011825800000000, -0.0004188700000000,  0.0028387300000000 ]  - [   0.0600020100000000,  0.0215648300000000,  0.0277450400000000 ]  - [   0.0011088500000000,  0.0004089400000000,  0.0041966600000000 ]  - [  -0.0002875600000000,  0.0001461800000000, -0.0015033600000000 ]  - [  -0.0000596400000000,  0.0001840700000000, -0.0014868300000000 ]  - [   0.0001735900000000,  0.0001364600000000, -0.0012783400000000 ]  - [   0.0000127900000000,  0.0001025600000000, -0.0013382300000000 ]  - [  -0.0001423800000000, -0.0048114700000000, -0.0009418000000000 ]  - [  -0.0002812600000000, -0.0007349000000000,  0.0011989300000000 ]  - [   0.0016131600000000, -0.0016762600000000,  0.0013574400000000 ]  - [   0.0005634500000000, -0.0006591400000000,  0.0005775400000000 ]  - [   0.0053856900000000, -0.0028125800000000,  0.0050475400000000 ]  - [  -0.0003533300000000, -0.0003646100000000,  0.0000309200000000 ]  - [   0.0008025100000000, -0.0019603000000000,  0.0020769800000000 ]  - [   0.0004656200000000, -0.0002442600000000, -0.0006151700000000 ]  - [   0.0020183700000000, -0.0011224700000000,  0.0011025400000000 ]  - [   0.0000601500000000,  0.0004248700000000,  0.0010153600000000 ]  - [   0.0003490100000000,  0.0004861500000000,  0.0008169000000000 ]  - [  -0.0000088500000000,  0.0006476600000000,  0.0008235300000000 ]  - [  -0.1038763800000000, -0.0125423500000000, -0.0117467200000000 ]  - [  -0.0024531100000000, -0.0019218800000000,  0.0002653400000000 ]  - [   0.0006852900000000, -0.0024668100000000,  0.0003820200000000 ]  - [   0.0008233000000000, -0.0021610400000000,  0.0002023400000000 ]  - [  -0.0019231700000000,  0.0005783500000000, -0.0001303400000000 ]  - [  -0.0012452900000000,  0.0013644300000000, -0.0003978900000000 ]  - [   0.0103094400000000, -0.0014570700000000,  0.0006782300000000 ]  - [   0.0029776200000000, -0.0011345700000000, -0.0000021200000000 ]  - [   0.0016745900000000,  0.0064758600000000,  0.0012096600000000 ]  - [  -0.0006143900000000,  0.0032052600000000,  0.0000700800000000 ]  - [   0.0026752700000000,  0.0036573300000000,  0.0033874800000000 ]  - [   0.0026666200000000,  0.0033634600000000, -0.0014519900000000 ]  - [   0.0022997600000000,  0.0016053900000000, -0.0054276100000000 ]  - [   0.0003696300000000,  0.0001920600000000, -0.0061078800000000 ]  - [   0.0006823800000000,  0.0010902200000000, -0.0106242400000000 ]  - [   0.0005685900000000,  0.0005574500000000, -0.0047746400000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000096814,  0.0000000000000000 ]  forces:  - [   0.0014304500000000, -0.0003023600000000,  0.0014370600000000 ]  - [   0.0011623100000000,  0.0016190200000000,  0.0001046000000000 ]  - [  -0.0138242700000000,  0.0110754900000000,  0.0080711500000000 ]  - [  -0.0021583600000000,  0.0009434300000000, -0.0001536700000000 ]  - [  -0.0020016400000000, -0.0025056200000000,  0.0020461500000000 ]  - [   0.0007684100000000,  0.0010086200000000, -0.0006668400000000 ]  - [  -0.0015036200000000,  0.0014393700000000,  0.0007773400000000 ]  - [  -0.0025183500000000,  0.0002822800000000,  0.0002907600000000 ]  - [  -0.0012854100000000, -0.0000591300000000,  0.0035204900000000 ]  - [   0.0016224100000000, -0.0017584400000000,  0.0009297200000000 ]  - [   0.0024068900000000, -0.0004578700000000, -0.0010618900000000 ]  - [   0.0007970500000000, -0.0016801900000000, -0.0001477800000000 ]  - [   0.0012795200000000,  0.0002897200000000,  0.0032135800000000 ]  - [   0.0011963300000000,  0.0004101500000000,  0.0024965700000000 ]  - [  -0.0622316400000000, -0.0226161500000000, -0.0237928500000000 ]  - [  -0.0011113300000000, -0.0004059700000000,  0.0011512800000000 ]  - [   0.0002930800000000, -0.0001503400000000, -0.0012782100000000 ]  - [   0.0000604900000000, -0.0001872500000000, -0.0012958700000000 ]  - [  -0.0001738100000000, -0.0001320700000000, -0.0015076400000000 ]  - [  -0.0000141100000000, -0.0000985300000000, -0.0014423400000000 ]  - [  -0.0002526300000000,  0.0037402000000000,  0.0028530700000000 ]  - [  -0.0000920400000000, -0.0003363000000000,  0.0006901300000000 ]  - [  -0.0008591400000000,  0.0008246000000000,  0.0005598300000000 ]  - [   0.0001820900000000, -0.0001953900000000,  0.0013233000000000 ]  - [  -0.0064359400000000,  0.0025547300000000, -0.0030804600000000 ]  - [  -0.0007589600000000,  0.0001418000000000,  0.0018582900000000 ]  - [   0.0003151800000000,  0.0021801700000000, -0.0001644500000000 ]  - [   0.0006419900000000,  0.0004603500000000,  0.0025142300000000 ]  - [  -0.0027470400000000,  0.0019588900000000,  0.0008050300000000 ]  - [  -0.0008012400000000,  0.0004286600000000,  0.0008891500000000 ]  - [   0.0000196400000000,  0.0005803900000000,  0.0010848400000000 ]  - [   0.0003765700000000,  0.0004211300000000,  0.0010764600000000 ]  - [   0.1021255500000000,  0.0096827000000000,  0.0137393600000000 ]  - [  -0.0013025500000000, -0.0018374000000000,  0.0003214000000000 ]  - [   0.0006949400000000, -0.0026582000000000,  0.0002048000000000 ]  - [   0.0005496000000000, -0.0029710600000000,  0.0003869700000000 ]  - [  -0.0032127700000000,  0.0008016400000000,  0.0007214600000000 ]  - [  -0.0038822200000000,  0.0000274100000000,  0.0009763600000000 ]  - [  -0.0053438900000000,  0.0001201800000000, -0.0000811400000000 ]  - [   0.0021589800000000, -0.0002425000000000,  0.0005881300000000 ]  - [  -0.0030650600000000, -0.0014023100000000, -0.0006156700000000 ]  - [  -0.0007598700000000,  0.0019241800000000,  0.0005175400000000 ]  - [   0.0010753500000000,  0.0001067200000000, -0.0027738000000000 ]  - [   0.0010663800000000,  0.0003995800000000,  0.0020412100000000 ]  - [  -0.0022742600000000, -0.0015780000000000, -0.0060831500000000 ]  - [  -0.0003703500000000, -0.0001917400000000, -0.0054075100000000 ]  - [  -0.0006671000000000, -0.0010862900000000, -0.0008752200000000 ]  - [  -0.0005756000000000, -0.0005682900000000, -0.0067617600000000 ]- atom:   33  displacement:    [  -0.0049999999977245,  0.0086602540391582,  0.0000000000000000 ]  forces:  - [   0.0019923200000000, -0.0006251300000000,  0.0010409600000000 ]  - [   0.0011041300000000,  0.0015739000000000,  0.0001443000000000 ]  - [  -0.0140523200000000,  0.0135372300000000,  0.0095950800000000 ]  - [  -0.0015122000000000,  0.0020151900000000,  0.0005464100000000 ]  - [   0.0015582200000000,  0.0089616700000000, -0.0029137400000000 ]  - [   0.0010824200000000,  0.0007832900000000, -0.0009374400000000 ]  - [  -0.0038529800000000, -0.0022209300000000,  0.0004056800000000 ]  - [  -0.0027062800000000, -0.0004521500000000,  0.0002925800000000 ]  - [  -0.0014367500000000,  0.0020431100000000,  0.0035688300000000 ]  - [   0.0016150400000000, -0.0010464200000000,  0.0003191500000000 ]  - [  -0.0001258800000000, -0.0004597900000000,  0.0000554100000000 ]  - [  -0.0002049100000000, -0.0020676300000000, -0.0000874500000000 ]  - [   0.0002264700000000, -0.0004688900000000,  0.0028091000000000 ]  - [  -0.0002052400000000, -0.0001403300000000,  0.0022030000000000 ]  - [  -0.0113816500000000,  0.0022880700000000, -0.0004385900000000 ]  - [  -0.0003626400000000, -0.0002502500000000,  0.0018998100000000 ]  - [   0.0006164000000000, -0.0007740300000000, -0.0012622700000000 ]  - [   0.0001472900000000, -0.0002601400000000, -0.0013492400000000 ]  - [  -0.0002702600000000,  0.0002681900000000, -0.0014488000000000 ]  - [   0.0000144200000000, -0.0000649400000000, -0.0014182800000000 ]  - [  -0.0033681000000000,  0.0077144900000000,  0.0058640500000000 ]  - [  -0.0005973000000000, -0.0003491100000000, -0.0003897000000000 ]  - [  -0.0029975300000000,  0.0034791500000000,  0.0005203200000000 ]  - [  -0.0000760900000000,  0.0001511400000000,  0.0012360800000000 ]  - [  -0.0048780800000000,  0.0004222900000000, -0.0014354200000000 ]  - [  -0.0008140400000000, -0.0001114500000000,  0.0015832500000000 ]  - [  -0.0019278200000000,  0.0052454000000000, -0.0020877200000000 ]  - [   0.0007297600000000,  0.0007474800000000,  0.0035373500000000 ]  - [  -0.0015762500000000,  0.0016343800000000,  0.0009203000000000 ]  - [  -0.0005898800000000,  0.0005532600000000,  0.0010315600000000 ]  - [   0.0015872200000000,  0.0024239200000000,  0.0007396700000000 ]  - [   0.0004122800000000,  0.0006007500000000,  0.0010767800000000 ]  - [   0.0400741400000000, -0.0445571200000000, -0.0076150200000000 ]  - [  -0.0016318500000000, -0.0020973000000000,  0.0002959500000000 ]  - [   0.0014252000000000, -0.0015727800000000, -0.0002826100000000 ]  - [   0.0008035500000000, -0.0023794900000000,  0.0003720500000000 ]  - [  -0.0028278400000000,  0.0007000100000000,  0.0005804300000000 ]  - [  -0.0033084600000000,  0.0002610400000000,  0.0007732800000000 ]  - [  -0.0036066100000000, -0.0015107900000000, -0.0001119400000000 ]  - [   0.0024253800000000, -0.0006973200000000,  0.0005676800000000 ]  - [   0.0031009400000000,  0.0041313300000000,  0.0011319200000000 ]  - [  -0.0006108800000000,  0.0023198600000000,  0.0005358200000000 ]  - [   0.0027696500000000,  0.0015343300000000,  0.0001080400000000 ]  - [   0.0030050500000000,  0.0016718000000000, -0.0000430200000000 ]  - [  -0.0003656700000000, -0.0003581900000000, -0.0061156600000000 ]  - [   0.0001214000000000,  0.0000097900000000, -0.0059470600000000 ]  - [   0.0002438300000000, -0.0018225800000000, -0.0040074800000000 ]  - [   0.0002323800000000, -0.0007843100000000, -0.0058634000000000 ]- atom:   33  displacement:    [   0.0049999999977245, -0.0086602540391582,  0.0000000000000000 ]  forces:  - [  -0.0007323000000000,  0.0046166800000000, -0.0005438100000000 ]  - [   0.0001543200000000,  0.0024137500000000,  0.0003485200000000 ]  - [   0.0107564600000000, -0.0099542000000000, -0.0086131500000000 ]  - [  -0.0013187700000000,  0.0010777800000000, -0.0000525800000000 ]  - [   0.0025239800000000, -0.0085154400000000,  0.0036923000000000 ]  - [   0.0030080000000000,  0.0001136900000000,  0.0014325100000000 ]  - [  -0.0002370600000000,  0.0013037300000000,  0.0000882900000000 ]  - [  -0.0013744500000000, -0.0004681800000000,  0.0002006000000000 ]  - [   0.0044823100000000, -0.0051361900000000, -0.0031904200000000 ]  - [   0.0012085000000000, -0.0020241800000000,  0.0001773200000000 ]  - [  -0.0011180600000000, -0.0035197100000000,  0.0004406900000000 ]  - [  -0.0010611100000000, -0.0019205500000000,  0.0005805400000000 ]  - [  -0.0002330900000000,  0.0004623800000000,  0.0025227900000000 ]  - [   0.0002297700000000,  0.0001357000000000,  0.0031235300000000 ]  - [   0.0114902800000000, -0.0022727500000000,  0.0058415500000000 ]  - [   0.0003677100000000,  0.0002576800000000,  0.0034297200000000 ]  - [  -0.0006170400000000,  0.0007589600000000, -0.0015304800000000 ]  - [  -0.0001487600000000,  0.0002531900000000, -0.0014325100000000 ]  - [   0.0002671500000000, -0.0002640900000000, -0.0013406500000000 ]  - [  -0.0000165800000000,  0.0000684300000000, -0.0013626800000000 ]  - [   0.0030000300000000, -0.0088783400000000, -0.0040438400000000 ]  - [   0.0002031200000000, -0.0007058500000000,  0.0023047200000000 ]  - [   0.0037032800000000, -0.0043424300000000,  0.0013806000000000 ]  - [   0.0007897500000000, -0.0010298600000000,  0.0006608900000000 ]  - [   0.0037669900000000, -0.0005911700000000,  0.0033506100000000 ]  - [  -0.0002990900000000, -0.0000742300000000,  0.0003212500000000 ]  - [   0.0030090300000000, -0.0049937100000000,  0.0039552400000000 ]  - [   0.0003891600000000, -0.0005525400000000, -0.0015974700000000 ]  - [   0.0008563600000000, -0.0007563500000000,  0.0009885000000000 ]  - [  -0.0001278200000000,  0.0003241700000000,  0.0008710200000000 ]  - [  -0.0011750300000000, -0.0013427000000000,  0.0011599500000000 ]  - [  -0.0000095000000000,  0.0004579000000000,  0.0008311000000000 ]  - [  -0.0436764300000000,  0.0407249300000000,  0.0075440000000000 ]  - [  -0.0021291500000000, -0.0016684300000000,  0.0002915800000000 ]  - [  -0.0000558200000000, -0.0035715200000000,  0.0008716300000000 ]  - [   0.0005679100000000, -0.0027590500000000,  0.0002146300000000 ]  - [  -0.0023136700000000,  0.0006752000000000,  0.0000035700000000 ]  - [  -0.0018324800000000,  0.0011186900000000, -0.0001940400000000 ]  - [   0.0086961700000000,  0.0001250700000000,  0.0006999800000000 ]  - [   0.0027209600000000, -0.0006891900000000,  0.0000212800000000 ]  - [  -0.0044677000000000,  0.0010350500000000, -0.0005351400000000 ]  - [  -0.0007658800000000,  0.0028233600000000,  0.0000557200000000 ]  - [   0.0009980700000000,  0.0022386400000000,  0.0004828500000000 ]  - [   0.0007253700000000,  0.0020824800000000,  0.0006446900000000 ]  - [   0.0003671500000000,  0.0003653400000000, -0.0053906000000000 ]  - [  -0.0001260700000000, -0.0000116000000000, -0.0055514000000000 ]  - [  -0.0002407300000000,  0.0018189900000000, -0.0075252900000000 ]  - [  -0.0002052400000000,  0.0007904900000000, -0.0056281500000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0001290100000000,  0.0012504100000000,  0.0016192700000000 ]  - [   0.0011564800000000,  0.0023262600000000, -0.0005284200000000 ]  - [  -0.0079299400000000,  0.0076555200000000,  0.0085140300000000 ]  - [  -0.0014290000000000,  0.0024456100000000, -0.0009115300000000 ]  - [   0.0007511100000000, -0.0044935600000000,  0.0063173900000000 ]  - [   0.0025425500000000, -0.0000402200000000, -0.0012074800000000 ]  - [  -0.0016206200000000, -0.0005210200000000,  0.0011730700000000 ]  - [  -0.0023309300000000, -0.0004417400000000, -0.0004183800000000 ]  - [  -0.0011381400000000,  0.0005647700000000,  0.0056488200000000 ]  - [   0.0013028100000000, -0.0017302700000000, -0.0004425600000000 ]  - [  -0.0000384000000000, -0.0017552500000000,  0.0010010000000000 ]  - [  -0.0020401200000000, -0.0024205800000000, -0.0005846600000000 ]  - [  -0.0000981500000000,  0.0001458400000000,  0.0030520700000000 ]  - [   0.0015682700000000,  0.0000550000000000,  0.0024395400000000 ]  - [   0.0249384100000000,  0.0109988200000000,  0.0211695500000000 ]  - [  -0.0010318800000000, -0.0003656300000000, -0.0007137000000000 ]  - [   0.0002780500000000,  0.0002199700000000, -0.0013085200000000 ]  - [  -0.0000339100000000, -0.0000527800000000, -0.0013917100000000 ]  - [  -0.0000720400000000,  0.0001298100000000, -0.0012140100000000 ]  - [   0.0000143600000000, -0.0000106000000000, -0.0015337000000000 ]  - [  -0.0017626600000000,  0.0036591200000000,  0.0017400900000000 ]  - [   0.0000498300000000, -0.0006338100000000,  0.0018645100000000 ]  - [  -0.0003987400000000, -0.0008032200000000, -0.0000782300000000 ]  - [   0.0003922900000000, -0.0002325600000000,  0.0015376000000000 ]  - [   0.0018944100000000, -0.0006343800000000,  0.0009584100000000 ]  - [  -0.0004470000000000, -0.0000696700000000,  0.0014759900000000 ]  - [   0.0013223300000000, -0.0018563100000000,  0.0006834900000000 ]  - [   0.0006963600000000,  0.0003708800000000,  0.0023063800000000 ]  - [  -0.0011719700000000,  0.0011908900000000,  0.0005533200000000 ]  - [  -0.0005561400000000,  0.0003989100000000,  0.0014084900000000 ]  - [   0.0010979200000000,  0.0014352200000000,  0.0005880800000000 ]  - [   0.0002390800000000,  0.0005798700000000,  0.0013149600000000 ]  - [  -0.0143637900000000, -0.0178614100000000, -0.0526444500000000 ]  - [  -0.0019051500000000, -0.0018961300000000,  0.0008759200000000 ]  - [   0.0002044400000000, -0.0030818200000000,  0.0006178800000000 ]  - [   0.0004042600000000, -0.0028904600000000,  0.0003907300000000 ]  - [  -0.0025860100000000,  0.0007856100000000,  0.0003872300000000 ]  - [  -0.0030612900000000,  0.0003026100000000,  0.0006170300000000 ]  - [   0.0008343500000000, -0.0006426100000000, -0.0009513400000000 ]  - [   0.0025530800000000, -0.0009526800000000,  0.0017831900000000 ]  - [  -0.0010999300000000,  0.0023581300000000, -0.0009450600000000 ]  - [  -0.0004153700000000,  0.0027478600000000,  0.0017845400000000 ]  - [   0.0036282600000000,  0.0032936700000000,  0.0030647600000000 ]  - [  -0.0011808500000000,  0.0003310200000000,  0.0030268600000000 ]  - [   0.0005659300000000,  0.0001112600000000, -0.0063910800000000 ]  - [  -0.0005302500000000, -0.0002231800000000, -0.0047561700000000 ]  - [  -0.0029888100000000, -0.0012338400000000,  0.0005590700000000 ]  - [   0.0036674900000000,  0.0014866500000000, -0.0024522900000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0011038400000000,  0.0027519200000000, -0.0011161500000000 ]  - [   0.0000789900000000,  0.0016649400000000,  0.0010323400000000 ]  - [   0.0049492000000000, -0.0043921900000000, -0.0079402200000000 ]  - [  -0.0014147100000000,  0.0006148900000000,  0.0014185400000000 ]  - [   0.0033198000000000,  0.0052464700000000, -0.0057646900000000 ]  - [   0.0015282200000000,  0.0009650000000000,  0.0017110800000000 ]  - [  -0.0024542500000000, -0.0003959700000000, -0.0006704400000000 ]  - [  -0.0017459500000000, -0.0004734400000000,  0.0009329700000000 ]  - [   0.0040894500000000, -0.0036666900000000, -0.0051582300000000 ]  - [   0.0015511400000000, -0.0013439500000000,  0.0009535200000000 ]  - [  -0.0012007000000000, -0.0022450500000000, -0.0004883400000000 ]  - [   0.0008122000000000, -0.0015692700000000,  0.0010863600000000 ]  - [   0.0001181900000000, -0.0001416000000000,  0.0022622700000000 ]  - [  -0.0015700500000000, -0.0000480200000000,  0.0028787100000000 ]  - [  -0.0253947300000000, -0.0112039200000000, -0.0157727300000000 ]  - [   0.0010119200000000,  0.0003651400000000,  0.0060374300000000 ]  - [  -0.0002787200000000, -0.0002245700000000, -0.0014712800000000 ]  - [   0.0000330000000000,  0.0000491900000000, -0.0013884000000000 ]  - [   0.0000689500000000, -0.0001238000000000, -0.0015680200000000 ]  - [  -0.0000181300000000,  0.0000146300000000, -0.0012454400000000 ]  - [   0.0013630200000000, -0.0047359100000000,  0.0001623300000000 ]  - [  -0.0004671400000000, -0.0004186500000000,  0.0000326500000000 ]  - [   0.0010983000000000, -0.0000846200000000,  0.0019781800000000 ]  - [   0.0003115500000000, -0.0006531500000000,  0.0003640700000000 ]  - [  -0.0029931000000000,  0.0004476800000000,  0.0009514300000000 ]  - [  -0.0006734200000000, -0.0000984000000000,  0.0004257600000000 ]  - [  -0.0002062700000000,  0.0020341900000000,  0.0012156400000000 ]  - [   0.0004233400000000, -0.0002019200000000, -0.0004144900000000 ]  - [   0.0004662100000000, -0.0003051400000000,  0.0013497600000000 ]  - [  -0.0001488100000000,  0.0004854200000000,  0.0004941500000000 ]  - [  -0.0006769600000000, -0.0003832000000000,  0.0013126000000000 ]  - [   0.0001764500000000,  0.0004688700000000,  0.0005869300000000 ]  - [   0.0111051200000000,  0.0143413600000000,  0.0530801300000000 ]  - [  -0.0018503000000000, -0.0018699700000000, -0.0002970300000000 ]  - [   0.0011733000000000, -0.0020563600000000, -0.0000363000000000 ]  - [   0.0009808700000000, -0.0022421200000000,  0.0001915100000000 ]  - [  -0.0025606500000000,  0.0005888500000000,  0.0001878200000000 ]  - [  -0.0020861100000000,  0.0010715500000000, -0.0000370400000000 ]  - [   0.0043282300000000, -0.0007351300000000,  0.0015274500000000 ]  - [   0.0025877300000000, -0.0004174600000000, -0.0012008700000000 ]  - [  -0.0002889900000000,  0.0027685500000000,  0.0015335600000000 ]  - [  -0.0009623300000000,  0.0023841400000000, -0.0011997000000000 ]  - [   0.0001367200000000,  0.0004843800000000, -0.0024510400000000 ]  - [   0.0049824800000000,  0.0034574400000000, -0.0024892700000000 ]  - [  -0.0005652600000000, -0.0001117500000000, -0.0051107900000000 ]  - [   0.0005329600000000,  0.0002227200000000, -0.0067635400000000 ]  - [   0.0029358900000000,  0.0012157400000000, -0.0120048800000000 ]  - [  -0.0037105400000000, -0.0015008200000000, -0.0091183100000000 ]- atom:   45  displacement:    [   0.0100000000000000, -0.0000000000096814,  0.0000000000000000 ]  forces:  - [   0.0140167700000000,  0.0069212300000000, -0.0037356300000000 ]  - [   0.0001853800000000,  0.0012568100000000, -0.0005890100000000 ]  - [  -0.0038153600000000,  0.0014596700000000, -0.0000875700000000 ]  - [  -0.0019082500000000,  0.0016323300000000,  0.0004611300000000 ]  - [   0.0024688100000000, -0.0008173700000000,  0.0003478500000000 ]  - [   0.0021731500000000,  0.0001582600000000,  0.0003843900000000 ]  - [   0.0071580900000000, -0.0066684100000000,  0.0036127500000000 ]  - [  -0.0016893400000000,  0.0006042300000000,  0.0009405800000000 ]  - [   0.0029771500000000,  0.0009714700000000,  0.0006467100000000 ]  - [   0.0029359500000000, -0.0020734300000000,  0.0004091000000000 ]  - [  -0.0005675900000000, -0.0002295300000000,  0.0004730800000000 ]  - [  -0.0004659900000000, -0.0015622100000000, -0.0000852500000000 ]  - [   0.0034275700000000, -0.0000787700000000,  0.0024807400000000 ]  - [   0.0001151400000000, -0.0001381300000000,  0.0026784200000000 ]  - [  -0.0015175900000000,  0.0011059300000000,  0.0026716000000000 ]  - [  -0.0004599100000000, -0.0000574600000000,  0.0026613100000000 ]  - [   0.0006791500000000,  0.0002694600000000, -0.0013894400000000 ]  - [  -0.0000236400000000,  0.0000630400000000, -0.0013901900000000 ]  - [  -0.0006899500000000, -0.0001920500000000, -0.0013908300000000 ]  - [  -0.0001570300000000, -0.0000537700000000, -0.0013890500000000 ]  - [   0.0001968500000000,  0.0009515600000000,  0.0008049000000000 ]  - [  -0.0002145300000000, -0.0003228600000000,  0.0009587900000000 ]  - [   0.0023314900000000,  0.0005529400000000,  0.0023334300000000 ]  - [   0.0004782600000000, -0.0002775000000000,  0.0000808500000000 ]  - [  -0.0005867900000000, -0.0000276100000000,  0.0008443500000000 ]  - [  -0.0005311700000000, -0.0000511600000000,  0.0011189000000000 ]  - [   0.0041559800000000,  0.0002206700000000,  0.0012555600000000 ]  - [   0.0012284600000000, -0.0000677900000000,  0.0009084400000000 ]  - [   0.0004730200000000, -0.0015222300000000,  0.0007956200000000 ]  - [  -0.0003472000000000, -0.0001254900000000,  0.0009857500000000 ]  - [   0.0019745900000000, -0.0006738500000000, -0.0003119200000000 ]  - [   0.0003798300000000,  0.0005475400000000,  0.0016414400000000 ]  - [   0.0004004900000000, -0.0009983600000000,  0.0008539100000000 ]  - [  -0.0015046500000000, -0.0015239400000000, -0.0002414200000000 ]  - [  -0.0001024400000000, -0.0023408500000000,  0.0008441200000000 ]  - [  -0.0010017300000000, -0.0022694400000000, -0.0001492500000000 ]  - [  -0.0023739400000000, -0.0000945100000000,  0.0034314200000000 ]  - [  -0.0027500600000000, -0.0008957100000000, -0.0022542000000000 ]  - [   0.0046089300000000, -0.0024377200000000, -0.0000919700000000 ]  - [   0.0029914400000000, -0.0008475500000000,  0.0007487700000000 ]  - [  -0.0008225500000000,  0.0023659500000000,  0.0001081100000000 ]  - [  -0.0007429800000000,  0.0026218600000000,  0.0003633100000000 ]  - [   0.0024519900000000,  0.0024640100000000, -0.0033983600000000 ]  - [   0.0025622600000000,  0.0025496300000000,  0.0032587800000000 ]  - [  -0.0383034200000000, -0.0003701300000000, -0.0053345200000000 ]  - [  -0.0002482100000000, -0.0000018700000000, -0.0057552800000000 ]  - [   0.0002269600000000,  0.0000722500000000, -0.0057535700000000 ]  - [   0.0002265900000000, -0.0000691400000000, -0.0057566600000000 ]- atom:   45  displacement:    [  -0.0100000000000000,  0.0000000000096814,  0.0000000000000000 ]  forces:  - [  -0.0121931000000000, -0.0026700500000000,  0.0039542900000000 ]  - [   0.0010708600000000,  0.0027407100000000,  0.0010916500000000 ]  - [   0.0009801600000000,  0.0016229000000000,  0.0005682100000000 ]  - [  -0.0009335300000000,  0.0014545000000000,  0.0000461400000000 ]  - [   0.0016064400000000,  0.0017328100000000,  0.0001430500000000 ]  - [   0.0018990600000000,  0.0007419200000000,  0.0001228300000000 ]  - [  -0.0114766800000000,  0.0060681000000000, -0.0032963100000000 ]  - [  -0.0023975800000000, -0.0015088700000000, -0.0004343600000000 ]  - [  -0.0001178300000000, -0.0040166500000000, -0.0001349700000000 ]  - [  -0.0000968400000000, -0.0010134700000000,  0.0000977400000000 ]  - [  -0.0006752100000000, -0.0037680400000000,  0.0000171800000000 ]  - [  -0.0007824000000000, -0.0024353800000000,  0.0005866900000000 ]  - [  -0.0033837500000000,  0.0001345800000000,  0.0024800900000000 ]  - [  -0.0000962600000000,  0.0001628300000000,  0.0026770600000000 ]  - [   0.0015197600000000, -0.0011003800000000,  0.0026707800000000 ]  - [   0.0004513100000000,  0.0000559200000000,  0.0026609900000000 ]  - [  -0.0006743700000000, -0.0002689600000000, -0.0013941500000000 ]  - [   0.0000224500000000, -0.0000670000000000, -0.0013964500000000 ]  - [   0.0006880900000000,  0.0001921500000000, -0.0013932500000000 ]  - [   0.0001567100000000,  0.0000557700000000, -0.0013941000000000 ]  - [  -0.0005755700000000, -0.0019854600000000,  0.0010995300000000 ]  - [  -0.0001740400000000, -0.0007395200000000,  0.0009440000000000 ]  - [  -0.0015948000000000, -0.0014137000000000, -0.0004166900000000 ]  - [   0.0002513300000000, -0.0005910300000000,  0.0018066800000000 ]  - [  -0.0005255000000000, -0.0001511500000000,  0.0010573800000000 ]  - [  -0.0005814800000000, -0.0001410700000000,  0.0007853900000000 ]  - [  -0.0030295100000000, -0.0000313100000000,  0.0006489700000000 ]  - [  -0.0001086300000000,  0.0002622100000000,  0.0009938100000000 ]  - [  -0.0012121700000000,  0.0024114500000000,  0.0011125000000000 ]  - [  -0.0003811800000000,  0.0009966400000000,  0.0009180100000000 ]  - [  -0.0015924200000000,  0.0017489000000000,  0.0022310700000000 ]  - [   0.0000075600000000,  0.0005131700000000,  0.0002534200000000 ]  - [  -0.0041751600000000, -0.0027907600000000, -0.0002766100000000 ]  - [  -0.0022463100000000, -0.0022340500000000,  0.0008231500000000 ]  - [   0.0014770500000000, -0.0027908100000000, -0.0002555400000000 ]  - [   0.0023919900000000, -0.0028342400000000,  0.0006933200000000 ]  - [  -0.0027742100000000,  0.0014628700000000, -0.0028431000000000 ]  - [  -0.0023972300000000,  0.0022661300000000,  0.0028314500000000 ]  - [   0.0005569100000000,  0.0010449500000000,  0.0006685800000000 ]  - [   0.0021466100000000, -0.0005275500000000, -0.0001678500000000 ]  - [  -0.0005591900000000,  0.0027593200000000,  0.0004823200000000 ]  - [  -0.0006346200000000,  0.0025175900000000,  0.0002188500000000 ]  - [   0.0013100100000000,  0.0012958700000000,  0.0039805200000000 ]  - [   0.0012138100000000,  0.0012082200000000, -0.0026644300000000 ]  - [   0.0378465100000000, -0.0003706700000000, -0.0053355400000000 ]  - [   0.0002465800000000, -0.0000022200000000, -0.0057543100000000 ]  - [  -0.0002265900000000, -0.0000690000000000, -0.0057527500000000 ]  - [  -0.0002270500000000,  0.0000718500000000, -0.0057552500000000 ]- atom:   45  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0007868900000000,  0.0001723300000000,  0.0047975700000000 ]  - [  -0.0009728700000000,  0.0011816600000000, -0.0015764800000000 ]  - [  -0.0006288000000000,  0.0017356500000000,  0.0017045400000000 ]  - [  -0.0022308700000000,  0.0012145900000000, -0.0012182400000000 ]  - [   0.0018175200000000, -0.0003232700000000,  0.0017045400000000 ]  - [   0.0021673100000000,  0.0013247000000000, -0.0012182400000000 ]  - [   0.0002442000000000, -0.0007676400000000,  0.0047975700000000 ]  - [  -0.0005369200000000, -0.0014333600000000, -0.0015764800000000 ]  - [   0.0005426900000000,  0.0005953000000000,  0.0047975700000000 ]  - [   0.0015097800000000,  0.0002517000000000, -0.0015764800000000 ]  - [  -0.0011887200000000, -0.0014123800000000,  0.0017045400000000 ]  - [   0.0000635700000000, -0.0025392900000000, -0.0012182400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1096685700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010899100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028007300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028171100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013375100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013860600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009829000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015509400000000 ]  - [   0.0008249000000000, -0.0001457300000000,  0.0006238000000000 ]  - [   0.0001493900000000, -0.0002498100000000,  0.0013673600000000 ]  - [   0.0011810800000000, -0.0000111800000000, -0.0003345900000000 ]  - [   0.0004328800000000, -0.0004938800000000,  0.0020189700000000 ]  - [  -0.0006002200000000, -0.0010172600000000, -0.0003345900000000 ]  - [  -0.0006441500000000, -0.0001279500000000,  0.0020189700000000 ]  - [  -0.0002862500000000,  0.0007872500000000,  0.0006238000000000 ]  - [   0.0001416500000000,  0.0002542800000000,  0.0013673600000000 ]  - [  -0.0005386500000000, -0.0006415200000000,  0.0006238000000000 ]  - [  -0.0002910300000000, -0.0000044700000000,  0.0013673600000000 ]  - [  -0.0005808600000000,  0.0010284400000000, -0.0003345900000000 ]  - [   0.0002112700000000,  0.0006218300000000,  0.0020189700000000 ]  - [  -0.0015494400000000, -0.0021085700000000, -0.0003439500000000 ]  - [  -0.0022318500000000, -0.0023126800000000,  0.0013042800000000 ]  - [   0.0008126100000000, -0.0014520000000000,  0.0036802300000000 ]  - [  -0.0010583400000000, -0.0071430700000000,  0.0065467800000000 ]  - [  -0.0016637700000000,  0.0000222600000000,  0.0036802300000000 ]  - [  -0.0056569100000000,  0.0044880900000000,  0.0065467800000000 ]  - [   0.0026007900000000, -0.0002875700000000, -0.0003439500000000 ]  - [   0.0031187600000000, -0.0007765000000000,  0.0013042800000000 ]  - [  -0.0010513600000000,  0.0023961400000000, -0.0003439500000000 ]  - [  -0.0008869100000000,  0.0030891800000000,  0.0013042800000000 ]  - [   0.0008511600000000,  0.0014297400000000,  0.0036802300000000 ]  - [   0.0067152600000000,  0.0026549800000000,  0.0065467800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1508606100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048093600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055808200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055789600000000 ]- atom:   45  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0021160500000000,  0.0038589200000000, -0.0042909200000000 ]  - [   0.0022063200000000,  0.0028004000000000,  0.0020548700000000 ]  - [  -0.0021930800000000,  0.0013475300000000, -0.0011829500000000 ]  - [  -0.0005990300000000,  0.0018606000000000,  0.0017041100000000 ]  - [   0.0022635300000000,  0.0012255000000000, -0.0011829500000000 ]  - [   0.0019108400000000, -0.0004115200000000,  0.0017041100000000 ]  - [  -0.0043999500000000, -0.0000969000000000, -0.0042909200000000 ]  - [  -0.0035283800000000,  0.0005105300000000,  0.0020548700000000 ]  - [   0.0022839000000000, -0.0037620200000000, -0.0042909200000000 ]  - [   0.0013220600000000, -0.0033109300000000,  0.0020548700000000 ]  - [  -0.0000704500000000, -0.0025730200000000, -0.0011829500000000 ]  - [  -0.0013118100000000, -0.0014490700000000,  0.0017041100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0995267500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041491700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025114900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0025050400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014483600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013964200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017982200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012325200000000 ]  - [  -0.0012164900000000, -0.0009171900000000,  0.0012776900000000 ]  - [  -0.0005349800000000, -0.0008108700000000,  0.0005394600000000 ]  - [  -0.0004505200000000, -0.0008540800000000,  0.0022296400000000 ]  - [   0.0002886000000000, -0.0003760500000000, -0.0000991500000000 ]  - [  -0.0005144000000000,  0.0008172100000000,  0.0022296400000000 ]  - [  -0.0004699700000000, -0.0000619100000000, -0.0000991500000000 ]  - [   0.0014025600000000, -0.0005949200000000,  0.0012776900000000 ]  - [   0.0009697200000000, -0.0000578700000000,  0.0005394600000000 ]  - [  -0.0001860700000000,  0.0015121100000000,  0.0012776900000000 ]  - [  -0.0004347400000000,  0.0008687400000000,  0.0005394600000000 ]  - [   0.0009649200000000,  0.0000368800000000,  0.0022296400000000 ]  - [   0.0001813700000000,  0.0004379600000000, -0.0000991500000000 ]  - [  -0.0022058500000000, -0.0016510400000000,  0.0009307800000000 ]  - [  -0.0015324600000000, -0.0014523300000000, -0.0007083200000000 ]  - [   0.0005773800000000, -0.0036128700000000, -0.0029917600000000 ]  - [   0.0024601500000000,  0.0020817300000000, -0.0060222600000000 ]  - [  -0.0034175300000000,  0.0013064100000000, -0.0029917600000000 ]  - [   0.0005727500000000, -0.0031714200000000, -0.0060222600000000 ]  - [   0.0025327700000000, -0.0010848100000000,  0.0009307800000000 ]  - [   0.0020239800000000, -0.0006009800000000, -0.0007083200000000 ]  - [  -0.0003269100000000,  0.0027358400000000,  0.0009307800000000 ]  - [  -0.0004915200000000,  0.0020533100000000, -0.0007083200000000 ]  - [   0.0028401500000000,  0.0023064600000000, -0.0029917600000000 ]  - [  -0.0030329100000000,  0.0010896900000000, -0.0060222600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1344499300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0066800400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059295500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0059273700000000 ]