# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/79d88ab9-43ff-4112-91c5-1a19cf548d5b/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 LiMgH6Ir / P-43m (215) / materials id 866640](https://mdr.nims.go.jp/datasets/1c7343c4-d8a6-4935-a7db-637b9cd36ef7)

## 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: "P-43m"  number: 215  Hall_symbol: "P -4 2 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.587057620000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.587057620000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.587057620000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Mg # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: H  # 9    coordinates: [  0.753018100000000,  0.753018100000000,  0.508680840000000 ]    mass: 1.007940  - symbol: H  # 10    coordinates: [  0.246981900000000,  0.246981900000000,  0.508680840000000 ]    mass: 1.007940  - symbol: H  # 11    coordinates: [  0.004685530000000,  0.750994900000000,  0.750994900000000 ]    mass: 1.007940  - symbol: H  # 12    coordinates: [  0.249005100000000,  0.995314470000000,  0.750994900000000 ]    mass: 1.007940  - symbol: H  # 13    coordinates: [  0.750994900000000,  0.004685530000000,  0.750994900000000 ]    mass: 1.007940  - symbol: H  # 14    coordinates: [  0.995314470000000,  0.249005100000000,  0.750994900000000 ]    mass: 1.007940  - symbol: H  # 15    coordinates: [  0.753018100000000,  0.508680840000000,  0.753018100000000 ]    mass: 1.007940  - symbol: H  # 16    coordinates: [  0.508680840000000,  0.753018100000000,  0.753018100000000 ]    mass: 1.007940  - symbol: H  # 17    coordinates: [  0.491319160000000,  0.246981900000000,  0.753018100000000 ]    mass: 1.007940  - symbol: H  # 18    coordinates: [  0.246981900000000,  0.491319160000000,  0.753018100000000 ]    mass: 1.007940  - symbol: H  # 19    coordinates: [  0.249005100000000,  0.750994900000000,  0.995314470000000 ]    mass: 1.007940  - symbol: H  # 20    coordinates: [  0.750994900000000,  0.249005100000000,  0.995314470000000 ]    mass: 1.007940  - symbol: H  # 21    coordinates: [  0.750994900000000,  0.750994900000000,  0.004685530000000 ]    mass: 1.007940  - symbol: H  # 22    coordinates: [  0.249005100000000,  0.249005100000000,  0.004685530000000 ]    mass: 1.007940  - symbol: H  # 23    coordinates: [  0.246981900000000,  0.508680840000000,  0.246981900000000 ]    mass: 1.007940  - symbol: H  # 24    coordinates: [  0.491319160000000,  0.753018100000000,  0.246981900000000 ]    mass: 1.007940  - symbol: H  # 25    coordinates: [  0.508680840000000,  0.246981900000000,  0.246981900000000 ]    mass: 1.007940  - symbol: H  # 26    coordinates: [  0.753018100000000,  0.491319160000000,  0.246981900000000 ]    mass: 1.007940  - symbol: H  # 27    coordinates: [  0.995314470000000,  0.750994900000000,  0.249005100000000 ]    mass: 1.007940  - symbol: H  # 28    coordinates: [  0.750994900000000,  0.995314470000000,  0.249005100000000 ]    mass: 1.007940  - symbol: H  # 29    coordinates: [  0.249005100000000,  0.004685530000000,  0.249005100000000 ]    mass: 1.007940  - symbol: H  # 30    coordinates: [  0.004685530000000,  0.249005100000000,  0.249005100000000 ]    mass: 1.007940  - symbol: H  # 31    coordinates: [  0.246981900000000,  0.753018100000000,  0.491319160000000 ]    mass: 1.007940  - symbol: H  # 32    coordinates: [  0.753018100000000,  0.246981900000000,  0.491319160000000 ]    mass: 1.007940  - symbol: Ir # 33    coordinates: [  0.256387640000000,  0.743612360000000,  0.743612360000000 ]    mass: 192.217000  - symbol: Ir # 34    coordinates: [  0.743612360000000,  0.256387640000000,  0.743612360000000 ]    mass: 192.217000  - symbol: Ir # 35    coordinates: [  0.743612360000000,  0.743612360000000,  0.256387640000000 ]    mass: 192.217000  - symbol: Ir # 36    coordinates: [  0.256387640000000,  0.256387640000000,  0.256387640000000 ]    mass: 192.217000  reciprocal_lattice: # without 2pi  - [     0.151812851456429,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.151812851456429,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.151812851456429 ] # c*unit_cell:  lattice:  - [     6.587057620000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.587057620000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.587057620000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Mg # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 6  - symbol: Mg # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 8  - symbol: H  # 9    coordinates: [  0.753018100000000,  0.753018100000000,  0.508680840000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 10    coordinates: [  0.246981900000000,  0.246981900000000,  0.508680840000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 11    coordinates: [  0.004685530000000,  0.750994900000000,  0.750994900000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 12    coordinates: [  0.249005100000000,  0.995314470000000,  0.750994900000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 13    coordinates: [  0.750994900000000,  0.004685530000000,  0.750994900000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.995314470000000,  0.249005100000000,  0.750994900000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 15    coordinates: [  0.753018100000000,  0.508680840000000,  0.753018100000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 16    coordinates: [  0.508680840000000,  0.753018100000000,  0.753018100000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 17    coordinates: [  0.491319160000000,  0.246981900000000,  0.753018100000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 18    coordinates: [  0.246981900000000,  0.491319160000000,  0.753018100000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 19    coordinates: [  0.249005100000000,  0.750994900000000,  0.995314470000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 20    coordinates: [  0.750994900000000,  0.249005100000000,  0.995314470000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 21    coordinates: [  0.750994900000000,  0.750994900000000,  0.004685530000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 22    coordinates: [  0.249005100000000,  0.249005100000000,  0.004685530000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 23    coordinates: [  0.246981900000000,  0.508680840000000,  0.246981900000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 24    coordinates: [  0.491319160000000,  0.753018100000000,  0.246981900000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 25    coordinates: [  0.508680840000000,  0.246981900000000,  0.246981900000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 26    coordinates: [  0.753018100000000,  0.491319160000000,  0.246981900000000 ]    mass: 1.007940    reduced_to: 26  - symbol: H  # 27    coordinates: [  0.995314470000000,  0.750994900000000,  0.249005100000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 28    coordinates: [  0.750994900000000,  0.995314470000000,  0.249005100000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 29    coordinates: [  0.249005100000000,  0.004685530000000,  0.249005100000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 30    coordinates: [  0.004685530000000,  0.249005100000000,  0.249005100000000 ]    mass: 1.007940    reduced_to: 30  - symbol: H  # 31    coordinates: [  0.246981900000000,  0.753018100000000,  0.491319160000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 32    coordinates: [  0.753018100000000,  0.246981900000000,  0.491319160000000 ]    mass: 1.007940    reduced_to: 32  - symbol: Ir # 33    coordinates: [  0.256387640000000,  0.743612360000000,  0.743612360000000 ]    mass: 192.217000    reduced_to: 33  - symbol: Ir # 34    coordinates: [  0.743612360000000,  0.256387640000000,  0.743612360000000 ]    mass: 192.217000    reduced_to: 34  - symbol: Ir # 35    coordinates: [  0.743612360000000,  0.743612360000000,  0.256387640000000 ]    mass: 192.217000    reduced_to: 35  - symbol: Ir # 36    coordinates: [  0.256387640000000,  0.256387640000000,  0.256387640000000 ]    mass: 192.217000    reduced_to: 36supercell:  lattice:  - [     6.587057620000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.587057620000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     6.587057620000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Mg # 5    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 5  - symbol: Mg # 6    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 6  - symbol: Mg # 7    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 7  - symbol: Mg # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 8  - symbol: H  # 9    coordinates: [  0.753018100000000,  0.753018100000000,  0.508680840000000 ]    mass: 1.007940    reduced_to: 9  - symbol: H  # 10    coordinates: [  0.246981900000000,  0.246981900000000,  0.508680840000000 ]    mass: 1.007940    reduced_to: 10  - symbol: H  # 11    coordinates: [  0.004685530000000,  0.750994900000000,  0.750994900000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 12    coordinates: [  0.249005100000000,  0.995314470000000,  0.750994900000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 13    coordinates: [  0.750994900000000,  0.004685530000000,  0.750994900000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.995314470000000,  0.249005100000000,  0.750994900000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 15    coordinates: [  0.753018100000000,  0.508680840000000,  0.753018100000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 16    coordinates: [  0.508680840000000,  0.753018100000000,  0.753018100000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 17    coordinates: [  0.491319160000000,  0.246981900000000,  0.753018100000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 18    coordinates: [  0.246981900000000,  0.491319160000000,  0.753018100000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 19    coordinates: [  0.249005100000000,  0.750994900000000,  0.995314470000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 20    coordinates: [  0.750994900000000,  0.249005100000000,  0.995314470000000 ]    mass: 1.007940    reduced_to: 20  - symbol: H  # 21    coordinates: [  0.750994900000000,  0.750994900000000,  0.004685530000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 22    coordinates: [  0.249005100000000,  0.249005100000000,  0.004685530000000 ]    mass: 1.007940    reduced_to: 22  - symbol: H  # 23    coordinates: [  0.246981900000000,  0.508680840000000,  0.246981900000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 24    coordinates: [  0.491319160000000,  0.753018100000000,  0.246981900000000 ]    mass: 1.007940    reduced_to: 24  - symbol: H  # 25    coordinates: [  0.508680840000000,  0.246981900000000,  0.246981900000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 26    coordinates: [  0.753018100000000,  0.491319160000000,  0.246981900000000 ]    mass: 1.007940    reduced_to: 26  - symbol: H  # 27    coordinates: [  0.995314470000000,  0.750994900000000,  0.249005100000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 28    coordinates: [  0.750994900000000,  0.995314470000000,  0.249005100000000 ]    mass: 1.007940    reduced_to: 28  - symbol: H  # 29    coordinates: [  0.249005100000000,  0.004685530000000,  0.249005100000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 30    coordinates: [  0.004685530000000,  0.249005100000000,  0.249005100000000 ]    mass: 1.007940    reduced_to: 30  - symbol: H  # 31    coordinates: [  0.246981900000000,  0.753018100000000,  0.491319160000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 32    coordinates: [  0.753018100000000,  0.246981900000000,  0.491319160000000 ]    mass: 1.007940    reduced_to: 32  - symbol: Ir # 33    coordinates: [  0.256387640000000,  0.743612360000000,  0.743612360000000 ]    mass: 192.217000    reduced_to: 33  - symbol: Ir # 34    coordinates: [  0.743612360000000,  0.256387640000000,  0.743612360000000 ]    mass: 192.217000    reduced_to: 34  - symbol: Ir # 35    coordinates: [  0.743612360000000,  0.743612360000000,  0.256387640000000 ]    mass: 192.217000    reduced_to: 35  - symbol: Ir # 36    coordinates: [  0.256387640000000,  0.256387640000000,  0.256387640000000 ]    mass: 192.217000    reduced_to: 36displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0186254700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016492600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0024429300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0024681300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0046921700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0048897700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0112400100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0035032700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005638600000000,  0.0010309400000000, -0.0007769900000000 ]  - [   0.0007317500000000,  0.0012047600000000,  0.0006138100000000 ]  - [   0.0005971000000000, -0.0002477600000000,  0.0001640700000000 ]  - [   0.0003751200000000,  0.0009323500000000,  0.0009710500000000 ]  - [   0.0004230100000000,  0.0006138200000000, -0.0008879200000000 ]  - [   0.0009081300000000, -0.0003191900000000, -0.0001096300000000 ]  - [   0.0001190700000000,  0.0006865900000000, -0.0003547300000000 ]  - [   0.0000898300000000, -0.0001699800000000, -0.0000451500000000 ]  - [   0.0002493900000000, -0.0000196800000000, -0.0001034700000000 ]  - [   0.0002636800000000,  0.0008558100000000,  0.0002062600000000 ]  - [   0.0001727300000000, -0.0004624400000000, -0.0006059500000000 ]  - [   0.0002416900000000, -0.0005238700000000,  0.0009174000000000 ]  - [   0.0002416900000000,  0.0005238700000000, -0.0009174000000000 ]  - [   0.0001727300000000,  0.0004624400000000,  0.0006059500000000 ]  - [   0.0002636800000000, -0.0008558100000000, -0.0002062600000000 ]  - [   0.0002493900000000,  0.0000196800000000,  0.0001034700000000 ]  - [   0.0000898300000000,  0.0001699800000000,  0.0000451500000000 ]  - [   0.0001190700000000, -0.0006865900000000,  0.0003547300000000 ]  - [   0.0009081300000000,  0.0003191900000000,  0.0001096300000000 ]  - [   0.0004230100000000, -0.0006138200000000,  0.0008879200000000 ]  - [   0.0003751200000000, -0.0009323500000000, -0.0009710500000000 ]  - [   0.0005971000000000,  0.0002477600000000, -0.0001640700000000 ]  - [   0.0007317500000000, -0.0012047600000000, -0.0006138100000000 ]  - [   0.0005638600000000, -0.0010309400000000,  0.0007769900000000 ]  - [  -0.0008956100000000,  0.0000845600000000,  0.0001999900000000 ]  - [  -0.0009626200000000,  0.0001301900000000, -0.0001388400000000 ]  - [  -0.0009626200000000, -0.0001301900000000,  0.0001388400000000 ]  - [  -0.0008956100000000, -0.0000845600000000, -0.0001999900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0145438400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024432700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0024432700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056065300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032129100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048750100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048750100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0034646400000000 ]  - [   0.0001297400000000,  0.0001297400000000,  0.0005692100000000 ]  - [  -0.0001297400000000, -0.0001297400000000,  0.0005692100000000 ]  - [  -0.0009298800000000, -0.0008852400000000,  0.0007250300000000 ]  - [   0.0008852400000000,  0.0009298800000000,  0.0007250300000000 ]  - [  -0.0008852400000000, -0.0009298800000000,  0.0007250300000000 ]  - [   0.0009298800000000,  0.0008852400000000,  0.0007250300000000 ]  - [  -0.0005047700000000, -0.0008378200000000,  0.0000539700000000 ]  - [  -0.0008378200000000, -0.0005047700000000,  0.0000539700000000 ]  - [   0.0008378200000000,  0.0005047700000000,  0.0000539700000000 ]  - [   0.0005047700000000,  0.0008378200000000,  0.0000539700000000 ]  - [   0.0000967500000000, -0.0000967500000000,  0.0003676400000000 ]  - [  -0.0000967500000000,  0.0000967500000000,  0.0003676400000000 ]  - [   0.0001593600000000,  0.0001593600000000,  0.0000454400000000 ]  - [  -0.0001593600000000, -0.0001593600000000,  0.0000454400000000 ]  - [  -0.0003522800000000,  0.0006706400000000,  0.0002090400000000 ]  - [  -0.0006706400000000,  0.0003522800000000,  0.0002090400000000 ]  - [   0.0006706400000000, -0.0003522800000000,  0.0002090400000000 ]  - [   0.0003522800000000, -0.0006706400000000,  0.0002090400000000 ]  - [  -0.0006118300000000,  0.0009255200000000,  0.0006411300000000 ]  - [   0.0009255200000000, -0.0006118300000000,  0.0006411300000000 ]  - [  -0.0009255200000000,  0.0006118300000000,  0.0006411300000000 ]  - [   0.0006118300000000, -0.0009255200000000,  0.0006411300000000 ]  - [   0.0002709200000000, -0.0002709200000000,  0.0007370400000000 ]  - [  -0.0002709200000000,  0.0002709200000000,  0.0007370400000000 ]  - [  -0.0000240600000000,  0.0000240600000000,  0.0009382800000000 ]  - [   0.0000240600000000, -0.0000240600000000,  0.0009382800000000 ]  - [  -0.0000714300000000, -0.0000714300000000,  0.0008585900000000 ]  - [   0.0000714300000000,  0.0000714300000000,  0.0008585900000000 ]- atom:    4  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0024681100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0024681100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0056049500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0145581000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0034874400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0032444100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0047231200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0047231200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001362500000000,  0.0003881200000000,  0.0007070400000000 ]  - [   0.0002818400000000,  0.0005403700000000, -0.0008766400000000 ]  - [   0.0005116300000000, -0.0002374700000000, -0.0002374700000000 ]  - [   0.0005206900000000,  0.0009254400000000, -0.0010292600000000 ]  - [   0.0005659200000000,  0.0006098800000000,  0.0010677500000000 ]  - [   0.0008218100000000, -0.0003093300000000,  0.0003093300000000 ]  - [   0.0001362500000000,  0.0007070400000000,  0.0003881200000000 ]  - [   0.0000907400000000, -0.0001794600000000, -0.0001794600000000 ]  - [   0.0002505900000000, -0.0000289300000000,  0.0000289300000000 ]  - [   0.0002818400000000,  0.0008766400000000, -0.0005403700000000 ]  - [   0.0005206900000000, -0.0010292600000000,  0.0009254400000000 ]  - [   0.0005659200000000, -0.0010677500000000, -0.0006098800000000 ]  - [   0.0005659200000000,  0.0010677500000000,  0.0006098800000000 ]  - [   0.0005206900000000,  0.0010292600000000, -0.0009254400000000 ]  - [   0.0002818400000000, -0.0008766400000000,  0.0005403700000000 ]  - [   0.0002505900000000,  0.0000289300000000, -0.0000289300000000 ]  - [   0.0000907400000000,  0.0001794600000000,  0.0001794600000000 ]  - [   0.0001362500000000, -0.0007070400000000, -0.0003881200000000 ]  - [   0.0008218100000000,  0.0003093300000000, -0.0003093300000000 ]  - [   0.0005659200000000, -0.0006098800000000, -0.0010677500000000 ]  - [   0.0005206900000000, -0.0009254400000000,  0.0010292600000000 ]  - [   0.0005116300000000,  0.0002374700000000,  0.0002374700000000 ]  - [   0.0002818400000000, -0.0005403700000000,  0.0008766400000000 ]  - [   0.0001362500000000, -0.0003881200000000, -0.0007070400000000 ]  - [  -0.0012592400000000,  0.0005769700000000,  0.0005769700000000 ]  - [  -0.0013248900000000,  0.0006179100000000, -0.0006179100000000 ]  - [  -0.0013248900000000, -0.0006179100000000,  0.0006179100000000 ]  - [  -0.0012592400000000, -0.0005769700000000, -0.0005769700000000 ]- atom:    5  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0046934500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0046934500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0032119400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0034869600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0545289400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0224800900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0095040700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0095040700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0014937900000000,  0.0022173300000000,  0.0006631900000000 ]  - [   0.0016025900000000,  0.0023126500000000, -0.0008246200000000 ]  - [   0.0001170800000000,  0.0000181700000000,  0.0000181700000000 ]  - [   0.0000579200000000,  0.0013168100000000, -0.0003366400000000 ]  - [   0.0001089100000000,  0.0010023200000000,  0.0003979000000000 ]  - [   0.0004445900000000, -0.0000486800000000,  0.0000486800000000 ]  - [   0.0014937900000000,  0.0006631900000000,  0.0022173300000000 ]  - [   0.0010265600000000, -0.0002226900000000, -0.0002226900000000 ]  - [   0.0011909200000000, -0.0000500800000000,  0.0000500800000000 ]  - [   0.0016025900000000,  0.0008246200000000, -0.0023126500000000 ]  - [   0.0000579200000000, -0.0003366400000000,  0.0013168100000000 ]  - [   0.0001089100000000, -0.0003979000000000, -0.0010023200000000 ]  - [   0.0001089100000000,  0.0003979000000000,  0.0010023200000000 ]  - [   0.0000579200000000,  0.0003366400000000, -0.0013168100000000 ]  - [   0.0016025900000000, -0.0008246200000000,  0.0023126500000000 ]  - [   0.0011909200000000,  0.0000500800000000, -0.0000500800000000 ]  - [   0.0010265600000000,  0.0002226900000000,  0.0002226900000000 ]  - [   0.0014937900000000, -0.0006631900000000, -0.0022173300000000 ]  - [   0.0004445900000000,  0.0000486800000000, -0.0000486800000000 ]  - [   0.0001089100000000, -0.0010023200000000, -0.0003979000000000 ]  - [   0.0000579200000000, -0.0013168100000000,  0.0003366400000000 ]  - [   0.0001170800000000, -0.0000181700000000, -0.0000181700000000 ]  - [   0.0016025900000000, -0.0023126500000000,  0.0008246200000000 ]  - [   0.0014937900000000, -0.0022173300000000, -0.0006631900000000 ]  - [   0.0055844400000000, -0.0036476500000000, -0.0036476500000000 ]  - [   0.0058075300000000, -0.0038346300000000,  0.0038346300000000 ]  - [   0.0058075300000000,  0.0038346300000000, -0.0038346300000000 ]  - [   0.0055844400000000,  0.0036476500000000,  0.0036476500000000 ]- atom:    6  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0112420500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0048715000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0035008100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0047248200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0095030700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0441793000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0091292900000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0064481900000000,  0.0000000000000000 ]  - [  -0.0027253100000000,  0.0019253600000000,  0.0008639300000000 ]  - [  -0.0025038900000000,  0.0020230400000000, -0.0010292000000000 ]  - [  -0.0012763700000000,  0.0016703300000000,  0.0023708400000000 ]  - [   0.0001729500000000,  0.0004129900000000,  0.0000992300000000 ]  - [   0.0002341700000000,  0.0000848200000000, -0.0000321000000000 ]  - [  -0.0009599900000000,  0.0015555500000000, -0.0022410900000000 ]  - [   0.0003717000000000,  0.0008795000000000, -0.0002361800000000 ]  - [  -0.0013761500000000, -0.0000442100000000,  0.0002384200000000 ]  - [  -0.0012049900000000,  0.0001171300000000, -0.0003902800000000 ]  - [   0.0005006700000000,  0.0010463200000000,  0.0000624800000000 ]  - [   0.0007446000000000,  0.0001925500000000, -0.0011840300000000 ]  - [   0.0008069400000000,  0.0001399400000000,  0.0014962000000000 ]  - [  -0.0007446000000000,  0.0001925500000000,  0.0011840300000000 ]  - [  -0.0008069400000000,  0.0001399400000000, -0.0014962000000000 ]  - [  -0.0003717000000000,  0.0008795000000000,  0.0002361800000000 ]  - [   0.0013761500000000, -0.0000442100000000, -0.0002384200000000 ]  - [   0.0012049900000000,  0.0001171300000000,  0.0003902800000000 ]  - [  -0.0005006700000000,  0.0010463200000000, -0.0000624800000000 ]  - [   0.0012763700000000,  0.0016703300000000, -0.0023708400000000 ]  - [  -0.0001729500000000,  0.0004129900000000, -0.0000992300000000 ]  - [  -0.0002341700000000,  0.0000848200000000,  0.0000321000000000 ]  - [   0.0009599900000000,  0.0015555500000000,  0.0022410900000000 ]  - [   0.0027253100000000,  0.0019253600000000, -0.0008639300000000 ]  - [   0.0025038900000000,  0.0020230400000000,  0.0010292000000000 ]  - [   0.0017490600000000,  0.0041996500000000,  0.0023742500000000 ]  - [   0.0015920500000000,  0.0039995700000000, -0.0022205500000000 ]  - [  -0.0017490600000000,  0.0041996500000000, -0.0023742500000000 ]  - [  -0.0015920500000000,  0.0039995700000000,  0.0022205500000000 ]- atom:    6  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0048869300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0048869300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0034610600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0032444500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0224784300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0529513300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0091301700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0091301700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013564900000000, -0.0027066200000000, -0.0009035300000000 ]  - [   0.0015486500000000, -0.0026218600000000,  0.0007389900000000 ]  - [   0.0009906400000000,  0.0003060300000000,  0.0003060300000000 ]  - [   0.0001686900000000, -0.0011551300000000,  0.0005101800000000 ]  - [   0.0002458100000000, -0.0014671500000000, -0.0004476100000000 ]  - [   0.0013058900000000,  0.0002630300000000, -0.0002630300000000 ]  - [   0.0013564900000000, -0.0009035300000000, -0.0027066200000000 ]  - [   0.0001434000000000, -0.0001011600000000, -0.0001011600000000 ]  - [   0.0002961800000000,  0.0000456600000000, -0.0000456600000000 ]  - [   0.0015486500000000, -0.0007389900000000,  0.0026218600000000 ]  - [   0.0001686900000000,  0.0005101800000000, -0.0011551300000000 ]  - [   0.0002458100000000,  0.0004476100000000,  0.0014671500000000 ]  - [   0.0002458100000000, -0.0004476100000000, -0.0014671500000000 ]  - [   0.0001686900000000, -0.0005101800000000,  0.0011551300000000 ]  - [   0.0015486500000000,  0.0007389900000000, -0.0026218600000000 ]  - [   0.0002961800000000, -0.0000456600000000,  0.0000456600000000 ]  - [   0.0001434000000000,  0.0001011600000000,  0.0001011600000000 ]  - [   0.0013564900000000,  0.0009035300000000,  0.0027066200000000 ]  - [   0.0013058900000000, -0.0002630300000000,  0.0002630300000000 ]  - [   0.0002458100000000,  0.0014671500000000,  0.0004476100000000 ]  - [   0.0001686900000000,  0.0011551300000000, -0.0005101800000000 ]  - [   0.0009906400000000, -0.0003060300000000, -0.0003060300000000 ]  - [   0.0015486500000000,  0.0026218600000000, -0.0007389900000000 ]  - [   0.0013564900000000,  0.0027066200000000,  0.0009035300000000 ]  - [   0.0008580100000000,  0.0022388300000000,  0.0022388300000000 ]  - [   0.0006515100000000,  0.0020702100000000, -0.0020702100000000 ]  - [   0.0006515100000000, -0.0020702100000000,  0.0020702100000000 ]  - [   0.0008580100000000, -0.0022388300000000, -0.0022388300000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006567600000000,  0.0011339300000000,  0.0002043500000000 ]  - [   0.0001944100000000, -0.0004331400000000, -0.0000969800000000 ]  - [   0.0001265300000000, -0.0002753600000000,  0.0000269500000000 ]  - [   0.0002122100000000,  0.0004691100000000, -0.0001060000000000 ]  - [   0.0015252200000000,  0.0022308700000000, -0.0001281800000000 ]  - [   0.0014743500000000, -0.0026518900000000,  0.0004441000000000 ]  - [   0.0019484200000000, -0.0026250100000000, -0.0001420300000000 ]  - [   0.0000278000000000,  0.0003043800000000, -0.0000329200000000 ]  - [  -0.0195344400000000,  0.0011725800000000, -0.0063852500000000 ]  - [   0.0001271900000000,  0.0000685000000000, -0.0000858000000000 ]  - [   0.0002663400000000,  0.0000114100000000,  0.0008899600000000 ]  - [   0.0000169900000000,  0.0001767200000000,  0.0000239900000000 ]  - [  -0.0000738300000000, -0.0002208600000000,  0.0000336900000000 ]  - [   0.0001799800000000, -0.0000201900000000,  0.0000204100000000 ]  - [  -0.0002214400000000, -0.0001797900000000, -0.0000736900000000 ]  - [   0.0005057500000000, -0.0000719700000000, -0.0011049600000000 ]  - [   0.0000827000000000,  0.0000991900000000, -0.0000689700000000 ]  - [   0.0001029500000000,  0.0000831400000000, -0.0000700800000000 ]  - [   0.0001725300000000,  0.0000358700000000,  0.0001965400000000 ]  - [   0.0000694400000000, -0.0000343500000000,  0.0001717500000000 ]  - [  -0.0054168700000000,  0.0000279500000000,  0.0006567400000000 ]  - [  -0.0000125700000000, -0.0000331000000000, -0.0001587800000000 ]  - [   0.0001034900000000,  0.0000076100000000,  0.0000999700000000 ]  - [   0.0000560900000000, -0.0001468600000000,  0.0034814800000000 ]  - [  -0.0001627800000000,  0.0000698500000000,  0.0000688800000000 ]  - [  -0.0008554100000000,  0.0000229400000000,  0.0001477000000000 ]  - [  -0.0003434900000000,  0.0000732300000000, -0.0049065200000000 ]  - [  -0.0008460200000000,  0.0000377600000000, -0.0000787000000000 ]  - [   0.0000268100000000, -0.0001113600000000, -0.0000409200000000 ]  - [  -0.0002372800000000, -0.0000418700000000, -0.0000281500000000 ]  - [  -0.0005767500000000, -0.0001340200000000,  0.0002394800000000 ]  - [  -0.0000835000000000,  0.0001333200000000,  0.0000977300000000 ]  - [   0.0001093300000000,  0.0001250800000000, -0.0002725300000000 ]  - [   0.0003026800000000, -0.0000577700000000,  0.0002414600000000 ]  - [   0.0208515300000000,  0.0007083900000000,  0.0068448900000000 ]  - [  -0.0007751200000000,  0.0000457300000000, -0.0001096200000000 ]- atom:    9  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006374800000000, -0.0011018700000000, -0.0001963200000000 ]  - [  -0.0001870100000000,  0.0004237100000000,  0.0000927100000000 ]  - [  -0.0001348700000000,  0.0002857900000000, -0.0000312200000000 ]  - [  -0.0002045600000000, -0.0004595500000000,  0.0001023000000000 ]  - [  -0.0015697000000000, -0.0022997800000000,  0.0001441600000000 ]  - [  -0.0014297400000000,  0.0025767200000000, -0.0004287000000000 ]  - [  -0.0019981500000000,  0.0027043700000000,  0.0001565800000000 ]  - [  -0.0000429300000000, -0.0003249600000000,  0.0000228900000000 ]  - [   0.0193072600000000, -0.0013373800000000,  0.0054880000000000 ]  - [   0.0000234300000000,  0.0000822300000000, -0.0000838500000000 ]  - [  -0.0005825600000000,  0.0000525300000000, -0.0008187900000000 ]  - [  -0.0000800900000000,  0.0001405200000000,  0.0000389500000000 ]  - [   0.0001380400000000, -0.0000998900000000,  0.0000243200000000 ]  - [   0.0001367700000000, -0.0000428100000000,  0.0000421700000000 ]  - [   0.0000697000000000,  0.0000201600000000, -0.0000817000000000 ]  - [  -0.0006791600000000, -0.0000801600000000,  0.0009709900000000 ]  - [   0.0000850000000000,  0.0000507400000000, -0.0000826200000000 ]  - [   0.0000459200000000,  0.0000847300000000, -0.0000811700000000 ]  - [  -0.0002356200000000,  0.0000269600000000,  0.0001227800000000 ]  - [  -0.0000059300000000, -0.0000293400000000,  0.0001480600000000 ]  - [   0.0054820500000000,  0.0000341500000000, -0.0008199600000000 ]  - [  -0.0000512600000000, -0.0000301600000000, -0.0001572000000000 ]  - [   0.0000464000000000, -0.0001723900000000,  0.0000514800000000 ]  - [   0.0001153400000000, -0.0000028700000000, -0.0033930100000000 ]  - [  -0.0000065600000000,  0.0000809900000000,  0.0000825200000000 ]  - [   0.0007058200000000,  0.0001488800000000,  0.0000036900000000 ]  - [   0.0006539000000000, -0.0000098800000000,  0.0047707000000000 ]  - [   0.0009087100000000,  0.0002735500000000,  0.0000179000000000 ]  - [  -0.0000899600000000, -0.0002065800000000, -0.0000220200000000 ]  - [  -0.0000790800000000, -0.0000217200000000, -0.0000346800000000 ]  - [   0.0007328000000000, -0.0000176400000000, -0.0000748300000000 ]  - [  -0.0000680100000000,  0.0000168700000000,  0.0000728900000000 ]  - [  -0.0000998400000000, -0.0001328700000000,  0.0003167600000000 ]  - [  -0.0003155300000000,  0.0000648700000000, -0.0002247400000000 ]  - [  -0.0207402900000000, -0.0006620400000000, -0.0062547000000000 ]  - [   0.0007872000000000, -0.0000358300000000,  0.0001156700000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0006948000000000, -0.0006948000000000,  0.0006571100000000 ]  - [   0.0007721800000000, -0.0007554200000000,  0.0001665100000000 ]  - [  -0.0007554200000000,  0.0007721800000000,  0.0001665100000000 ]  - [   0.0007925200000000,  0.0007925200000000,  0.0001676500000000 ]  - [   0.0007431200000000,  0.0007431200000000,  0.0011148100000000 ]  - [  -0.0008215000000000,  0.0009445200000000,  0.0009694000000000 ]  - [   0.0009445200000000, -0.0008215000000000,  0.0009694000000000 ]  - [  -0.0012938400000000, -0.0012938400000000,  0.0002119700000000 ]  - [  -0.0058453400000000, -0.0058453400000000, -0.1438532600000000 ]  - [   0.0000765200000000,  0.0000765200000000, -0.0001717000000000 ]  - [   0.0005519900000000,  0.0000818400000000,  0.0001725300000000 ]  - [   0.0000074900000000,  0.0001963900000000, -0.0000727700000000 ]  - [   0.0000818400000000,  0.0005519900000000,  0.0001725300000000 ]  - [   0.0001963900000000,  0.0000074900000000, -0.0000727700000000 ]  - [  -0.0001756800000000, -0.0011725200000000,  0.0005180400000000 ]  - [  -0.0011725200000000, -0.0001756800000000,  0.0005180400000000 ]  - [   0.0000667100000000, -0.0000148300000000, -0.0001531500000000 ]  - [  -0.0000148300000000,  0.0000667100000000, -0.0001531500000000 ]  - [  -0.0000847600000000,  0.0000445600000000,  0.0003653100000000 ]  - [   0.0000445600000000, -0.0000847600000000,  0.0003653100000000 ]  - [  -0.0005503900000000, -0.0005503900000000,  0.0184940100000000 ]  - [  -0.0000376300000000, -0.0000376300000000, -0.0002094500000000 ]  - [   0.0000745700000000, -0.0000672600000000,  0.0000745000000000 ]  - [   0.0002056100000000, -0.0000128500000000,  0.0000657100000000 ]  - [  -0.0000672600000000,  0.0000745700000000,  0.0000745000000000 ]  - [  -0.0000128500000000,  0.0002056100000000,  0.0000657100000000 ]  - [   0.0000871600000000, -0.0000217500000000, -0.0004419300000000 ]  - [  -0.0000217500000000,  0.0000871600000000, -0.0004419300000000 ]  - [  -0.0000519700000000, -0.0001465400000000, -0.0000198800000000 ]  - [  -0.0001465400000000, -0.0000519700000000, -0.0000198800000000 ]  - [   0.0002319600000000, -0.0000874800000000,  0.0000006100000000 ]  - [  -0.0000874800000000,  0.0002319600000000,  0.0000006100000000 ]  - [   0.0000311300000000, -0.0001162400000000,  0.0046819000000000 ]  - [  -0.0001162400000000,  0.0000311300000000,  0.0046819000000000 ]  - [   0.0069551500000000,  0.0069551500000000,  0.1112593900000000 ]  - [   0.0000873600000000,  0.0000873600000000, -0.0003240800000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0006966800000000,  0.0006966800000000, -0.0006476700000000 ]  - [  -0.0007698500000000,  0.0007527100000000, -0.0001717700000000 ]  - [   0.0007527100000000, -0.0007698500000000, -0.0001717700000000 ]  - [  -0.0007903900000000, -0.0007903900000000, -0.0001727500000000 ]  - [  -0.0007438000000000, -0.0007438000000000, -0.0011021500000000 ]  - [   0.0008207400000000, -0.0009475100000000, -0.0009551200000000 ]  - [  -0.0009475100000000,  0.0008207400000000, -0.0009551200000000 ]  - [   0.0012874600000000,  0.0012874600000000, -0.0002245000000000 ]  - [   0.0060363500000000,  0.0060363500000000,  0.1500169900000000 ]  - [   0.0000736900000000,  0.0000736900000000,  0.0000034600000000 ]  - [  -0.0008706400000000, -0.0000170300000000, -0.0001096900000000 ]  - [  -0.0000709300000000,  0.0001210600000000,  0.0001367600000000 ]  - [  -0.0000170300000000, -0.0008706400000000, -0.0001096900000000 ]  - [   0.0001210600000000, -0.0000709300000000,  0.0001367600000000 ]  - [   0.0000253000000000,  0.0009964200000000, -0.0006658700000000 ]  - [   0.0009964200000000,  0.0000253000000000, -0.0006658700000000 ]  - [   0.0001000700000000,  0.0001644000000000,  0.0000036600000000 ]  - [   0.0001644000000000,  0.0001000700000000,  0.0000036600000000 ]  - [   0.0000202800000000,  0.0000198100000000, -0.0000472400000000 ]  - [   0.0000198100000000,  0.0000202800000000, -0.0000472400000000 ]  - [   0.0006289200000000,  0.0006289200000000, -0.0191183100000000 ]  - [  -0.0000265000000000, -0.0000265000000000, -0.0001043700000000 ]  - [   0.0000756200000000, -0.0001000100000000,  0.0000757600000000 ]  - [  -0.0000552800000000, -0.0001384300000000,  0.0001244600000000 ]  - [  -0.0001000100000000,  0.0000756200000000,  0.0000757600000000 ]  - [  -0.0001384300000000, -0.0000552800000000,  0.0001244600000000 ]  - [   0.0002444500000000,  0.0000860300000000,  0.0004244700000000 ]  - [   0.0000860300000000,  0.0002444500000000,  0.0004244700000000 ]  - [  -0.0000120600000000, -0.0001671500000000, -0.0000439500000000 ]  - [  -0.0001671500000000, -0.0000120600000000, -0.0000439500000000 ]  - [  -0.0000829900000000, -0.0000619300000000,  0.0001645100000000 ]  - [  -0.0000619300000000, -0.0000829900000000,  0.0001645100000000 ]  - [  -0.0000276800000000,  0.0001076200000000, -0.0046732000000000 ]  - [   0.0001076200000000, -0.0000276800000000, -0.0046732000000000 ]  - [  -0.0072855800000000, -0.0072855800000000, -0.1174994400000000 ]  - [  -0.0000898600000000, -0.0000898600000000,  0.0003231900000000 ]- atom:   11  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002898500000000,  0.0004069700000000, -0.0009206800000000 ]  - [   0.0001309800000000,  0.0006739800000000, -0.0009144600000000 ]  - [   0.0001301600000000,  0.0002096800000000,  0.0004980600000000 ]  - [  -0.0002791000000000,  0.0005511100000000,  0.0010650200000000 ]  - [  -0.0000111900000000,  0.0000762300000000,  0.0003572500000000 ]  - [   0.0002744100000000,  0.0015909200000000,  0.0022670400000000 ]  - [   0.0002080800000000,  0.0002128900000000, -0.0007859700000000 ]  - [  -0.0000610200000000,  0.0001590600000000, -0.0004686300000000 ]  - [  -0.0000931100000000, -0.0001809900000000, -0.0000300500000000 ]  - [   0.0000861800000000,  0.0001240600000000, -0.0001209200000000 ]  - [   0.0053284600000000, -0.0193072500000000, -0.0015643600000000 ]  - [   0.0054791600000000, -0.0008084600000000,  0.0001483000000000 ]  - [  -0.0005532400000000, -0.0002358800000000,  0.0000534300000000 ]  - [  -0.0000495700000000, -0.0001709600000000,  0.0000694200000000 ]  - [   0.0007734600000000,  0.0000575200000000, -0.0000702600000000 ]  - [  -0.0007490400000000, -0.0055244000000000, -0.0000800100000000 ]  - [   0.0000295700000000,  0.0002794700000000, -0.0000729600000000 ]  - [  -0.0047301700000000, -0.0003506200000000, -0.0000274600000000 ]  - [  -0.0001495400000000, -0.0008427800000000,  0.0002092600000000 ]  - [   0.0000308500000000,  0.0000438700000000,  0.0001605200000000 ]  - [   0.0000566400000000, -0.0000523800000000, -0.0001157700000000 ]  - [  -0.0000536100000000,  0.0000441700000000, -0.0002043200000000 ]  - [   0.0000861300000000, -0.0001882800000000,  0.0000829000000000 ]  - [   0.0000689600000000, -0.0000376400000000,  0.0000708900000000 ]  - [  -0.0000779000000000,  0.0000946000000000,  0.0000741900000000 ]  - [  -0.0000781400000000,  0.0000951400000000,  0.0000660000000000 ]  - [   0.0001361400000000,  0.0000008500000000, -0.0000698900000000 ]  - [   0.0000418700000000,  0.0001882700000000, -0.0000535300000000 ]  - [  -0.0000414600000000, -0.0002687200000000, -0.0000301800000000 ]  - [  -0.0001487900000000,  0.0000384900000000, -0.0000185600000000 ]  - [   0.0000320900000000, -0.0009532800000000,  0.0001385900000000 ]  - [  -0.0000649100000000,  0.0001340300000000,  0.0000633300000000 ]  - [  -0.0058704900000000,  0.0243659700000000,  0.0003073500000000 ]  - [   0.0004395500000000, -0.0000629100000000, -0.0000886900000000 ]  - [  -0.0001376300000000,  0.0003140000000000,  0.0000237600000000 ]  - [   0.0001060700000000, -0.0006767200000000, -0.0000186200000000 ]- atom:   11  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0002771700000000, -0.0003901600000000,  0.0008898100000000 ]  - [  -0.0001426900000000, -0.0006907700000000,  0.0009441500000000 ]  - [  -0.0001257200000000, -0.0002037200000000, -0.0004885000000000 ]  - [   0.0002680700000000, -0.0005342300000000, -0.0010319200000000 ]  - [   0.0000196300000000, -0.0000886100000000, -0.0003778200000000 ]  - [  -0.0002949700000000, -0.0016332400000000, -0.0023454200000000 ]  - [  -0.0001985200000000, -0.0002002600000000,  0.0007657700000000 ]  - [   0.0000708000000000, -0.0001715200000000,  0.0004901600000000 ]  - [  -0.0000519800000000,  0.0000310300000000, -0.0001302500000000 ]  - [   0.0000634400000000,  0.0000268600000000, -0.0000436100000000 ]  - [  -0.0049532600000000,  0.0193147400000000,  0.0016351900000000 ]  - [  -0.0054830600000000,  0.0011254600000000, -0.0000828200000000 ]  - [   0.0006152800000000, -0.0000844000000000,  0.0000099400000000 ]  - [   0.0003656300000000,  0.0001105700000000, -0.0000062100000000 ]  - [  -0.0009348400000000, -0.0002258400000000, -0.0000795100000000 ]  - [   0.0004292900000000,  0.0053744500000000, -0.0000736600000000 ]  - [   0.0001356100000000, -0.0001287300000000, -0.0000776700000000 ]  - [   0.0049467200000000,  0.0005160600000000, -0.0001240000000000 ]  - [   0.0000814400000000,  0.0009070700000000,  0.0001058500000000 ]  - [   0.0000337000000000, -0.0001080400000000,  0.0001564400000000 ]  - [   0.0000131700000000,  0.0001159900000000, -0.0002060900000000 ]  - [  -0.0000107800000000, -0.0001077400000000, -0.0001138900000000 ]  - [   0.0000639700000000,  0.0000204300000000,  0.0000676500000000 ]  - [   0.0000949500000000, -0.0001127300000000,  0.0000795800000000 ]  - [  -0.0000898900000000,  0.0000558700000000,  0.0000767700000000 ]  - [  -0.0000713100000000,  0.0000719600000000,  0.0000847500000000 ]  - [   0.0001763100000000,  0.0000626500000000,  0.0000057400000000 ]  - [   0.0000227000000000,  0.0001273500000000, -0.0000106500000000 ]  - [  -0.0000223700000000, -0.0000469200000000, -0.0000331900000000 ]  - [  -0.0001661200000000, -0.0001016800000000, -0.0000446300000000 ]  - [   0.0001151800000000,  0.0008016600000000,  0.0000314000000000 ]  - [  -0.0000849000000000,  0.0000171900000000,  0.0001040200000000 ]  - [   0.0053175900000000, -0.0242811500000000, -0.0002738800000000 ]  - [  -0.0004894200000000,  0.0000649900000000,  0.0000842500000000 ]  - [   0.0001025000000000, -0.0003190400000000, -0.0000174400000000 ]  - [  -0.0000933000000000,  0.0006844300000000,  0.0000296900000000 ]- atom:   11  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0007462400000000,  0.0007750000000000, -0.0007731600000000 ]  - [   0.0007462400000000, -0.0007731600000000,  0.0007750000000000 ]  - [   0.0002090500000000, -0.0007601600000000, -0.0007601600000000 ]  - [   0.0006597300000000,  0.0007700600000000,  0.0007700600000000 ]  - [   0.0002872100000000,  0.0011556600000000,  0.0011556600000000 ]  - [   0.0011374400000000, -0.0011215000000000, -0.0011215000000000 ]  - [   0.0002552600000000, -0.0013079600000000,  0.0013368900000000 ]  - [   0.0002552600000000,  0.0013368900000000, -0.0013079600000000 ]  - [   0.0003517500000000, -0.0001344100000000,  0.0006301300000000 ]  - [   0.0000960000000000,  0.0000924000000000, -0.0001174800000000 ]  - [  -0.1501685800000000,  0.0053120300000000,  0.0053120300000000 ]  - [  -0.0010177400000000,  0.0003431100000000, -0.0000205500000000 ]  - [  -0.0000416200000000, -0.0002420500000000,  0.0000773000000000 ]  - [   0.0002134600000000, -0.0002395400000000,  0.0000521000000000 ]  - [   0.0003517500000000,  0.0006301300000000, -0.0001344100000000 ]  - [   0.0188751400000000,  0.0006716800000000,  0.0006716800000000 ]  - [   0.0002845800000000,  0.0001108100000000, -0.0000859700000000 ]  - [  -0.0004447000000000, -0.0000072400000000,  0.0000446200000000 ]  - [  -0.0010177400000000, -0.0000205500000000,  0.0003431100000000 ]  - [  -0.0000786300000000,  0.0000131100000000,  0.0001190700000000 ]  - [  -0.0000416200000000,  0.0000773000000000, -0.0002420500000000 ]  - [  -0.0000014300000000, -0.0000301000000000, -0.0001183000000000 ]  - [   0.0000960000000000, -0.0001174800000000,  0.0000924000000000 ]  - [   0.0002845800000000, -0.0000859700000000,  0.0001108100000000 ]  - [  -0.0001320700000000,  0.0000750200000000,  0.0000750200000000 ]  - [  -0.0001534300000000,  0.0000693300000000,  0.0000267000000000 ]  - [   0.0002134600000000,  0.0000521000000000, -0.0002395400000000 ]  - [  -0.0000786300000000,  0.0001190700000000,  0.0000131100000000 ]  - [  -0.0000014300000000, -0.0001183000000000, -0.0000301000000000 ]  - [  -0.0002689500000000, -0.0000408400000000, -0.0000408400000000 ]  - [  -0.0004447000000000,  0.0000446200000000, -0.0000072400000000 ]  - [  -0.0001534300000000,  0.0000267000000000,  0.0000693300000000 ]  - [   0.1201968100000000, -0.0066766800000000, -0.0066766800000000 ]  - [   0.0045542000000000,  0.0000015500000000,  0.0000565700000000 ]  - [   0.0045542000000000,  0.0000565700000000,  0.0000015500000000 ]  - [  -0.0003236500000000, -0.0000572200000000, -0.0000572200000000 ]- atom:   11  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007574700000000, -0.0007717300000000,  0.0007682300000000 ]  - [  -0.0007574700000000,  0.0007682300000000, -0.0007717300000000 ]  - [  -0.0002013600000000,  0.0007628900000000,  0.0007628900000000 ]  - [  -0.0006722500000000, -0.0007654900000000, -0.0007654900000000 ]  - [  -0.0002701100000000, -0.0011631100000000, -0.0011631100000000 ]  - [  -0.0011579700000000,  0.0011160300000000,  0.0011160300000000 ]  - [  -0.0002393500000000,  0.0013135700000000, -0.0013419700000000 ]  - [  -0.0002393500000000, -0.0013419700000000,  0.0013135700000000 ]  - [  -0.0004970000000000, -0.0000137700000000, -0.0007960400000000 ]  - [   0.0000530500000000,  0.0000565900000000, -0.0000455800000000 ]  - [   0.1433757000000000, -0.0049755700000000, -0.0049755700000000 ]  - [   0.0009159100000000, -0.0000116400000000,  0.0000836800000000 ]  - [   0.0001101400000000, -0.0000769300000000, -0.0000121500000000 ]  - [   0.0001024800000000,  0.0001757800000000,  0.0000127900000000 ]  - [  -0.0004970000000000, -0.0007960400000000, -0.0000137700000000 ]  - [  -0.0187413800000000, -0.0008059600000000, -0.0008059600000000 ]  - [  -0.0001238500000000,  0.0000375300000000, -0.0000627100000000 ]  - [   0.0005533300000000,  0.0001538300000000, -0.0001915200000000 ]  - [   0.0009159100000000,  0.0000836800000000, -0.0000116400000000 ]  - [   0.0001433900000000, -0.0000776100000000,  0.0001955800000000 ]  - [   0.0001101400000000, -0.0000121500000000, -0.0000769300000000 ]  - [  -0.0000630400000000, -0.0000342200000000, -0.0001941000000000 ]  - [   0.0000530500000000, -0.0000455800000000,  0.0000565900000000 ]  - [  -0.0001238500000000, -0.0000627100000000,  0.0000375300000000 ]  - [  -0.0000307600000000,  0.0000740000000000,  0.0000740000000000 ]  - [   0.0000043800000000,  0.0000938600000000,  0.0001225000000000 ]  - [   0.0001024800000000,  0.0000127900000000,  0.0001757800000000 ]  - [   0.0001433900000000,  0.0001955800000000, -0.0000776100000000 ]  - [  -0.0000630400000000, -0.0001941000000000, -0.0000342200000000 ]  - [  -0.0000425900000000, -0.0000236100000000, -0.0000236100000000 ]  - [   0.0005533300000000, -0.0001915200000000,  0.0001538300000000 ]  - [   0.0000043800000000,  0.0001225000000000,  0.0000938600000000 ]  - [  -0.1138385800000000,  0.0064184600000000,  0.0064184600000000 ]  - [  -0.0045681700000000, -0.0000148100000000, -0.0000497100000000 ]  - [  -0.0045681700000000, -0.0000497100000000, -0.0000148100000000 ]  - [   0.0003116700000000,  0.0000429000000000,  0.0000429000000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0009939900000000,  0.0001446100000000, -0.0000871600000000 ]  - [  -0.0009939900000000, -0.0000871600000000,  0.0001446100000000 ]  - [   0.0009580500000000,  0.0002129700000000,  0.0002129700000000 ]  - [  -0.0013475800000000,  0.0006305400000000,  0.0006305400000000 ]  - [   0.0058695900000000, -0.0038805500000000, -0.0038805500000000 ]  - [   0.0005889000000000,  0.0015643500000000,  0.0015643500000000 ]  - [   0.0042468200000000,  0.0022755600000000, -0.0024099200000000 ]  - [   0.0042468200000000, -0.0024099200000000,  0.0022755600000000 ]  - [   0.0000359100000000, -0.0001346600000000, -0.0000583100000000 ]  - [   0.0003820000000000,  0.0002021800000000,  0.0000394100000000 ]  - [   0.1136536500000000, -0.0054580300000000, -0.0054580300000000 ]  - [   0.0243471400000000, -0.0066881600000000, -0.0002738600000000 ]  - [  -0.0000274500000000, -0.0001447300000000,  0.0000557900000000 ]  - [   0.0047068200000000,  0.0004285500000000,  0.0001551100000000 ]  - [   0.0000359100000000, -0.0000583100000000, -0.0001346600000000 ]  - [   0.1174896700000000,  0.0066054200000000,  0.0066054200000000 ]  - [   0.0047575600000000, -0.0002225100000000, -0.0003064800000000 ]  - [   0.0209389000000000,  0.0075459700000000, -0.0007807100000000 ]  - [   0.0243471400000000, -0.0002738600000000, -0.0066881600000000 ]  - [  -0.0006464600000000, -0.0000088400000000,  0.0002015500000000 ]  - [  -0.0000274500000000,  0.0000557900000000, -0.0001447300000000 ]  - [   0.0002813600000000, -0.0001201000000000, -0.0002089400000000 ]  - [   0.0003820000000000,  0.0000394100000000,  0.0002021800000000 ]  - [   0.0047575600000000, -0.0003064800000000, -0.0002225100000000 ]  - [  -0.0004064800000000,  0.0001865200000000,  0.0001865200000000 ]  - [  -0.0008538600000000, -0.0000070800000000,  0.0000337400000000 ]  - [   0.0047068200000000,  0.0001551100000000,  0.0004285500000000 ]  - [  -0.0006464600000000,  0.0002015500000000, -0.0000088400000000 ]  - [   0.0002813600000000, -0.0002089400000000, -0.0001201000000000 ]  - [  -0.0004664000000000, -0.0001327200000000, -0.0001327200000000 ]  - [   0.0209389000000000, -0.0007807100000000,  0.0075459700000000 ]  - [  -0.0008538600000000,  0.0000337400000000, -0.0000070800000000 ]  - [  -0.3637029900000000,  0.0012328700000000,  0.0012328700000000 ]  - [   0.0092268100000000, -0.0006030600000000, -0.0000123000000000 ]  - [   0.0092268100000000, -0.0000123000000000, -0.0006030600000000 ]  - [  -0.0054395300000000,  0.0000229600000000,  0.0000229600000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0008646000000000, -0.0000657100000000,  0.0000090200000000 ]  - [   0.0008646000000000,  0.0000090200000000, -0.0000657100000000 ]  - [  -0.0008388900000000, -0.0001264500000000, -0.0001264500000000 ]  - [   0.0012400100000000, -0.0005637400000000, -0.0005637400000000 ]  - [  -0.0055177100000000,  0.0036062800000000,  0.0036062800000000 ]  - [  -0.0009194200000000, -0.0017802300000000, -0.0017802300000000 ]  - [  -0.0039474400000000, -0.0020361200000000,  0.0021874800000000 ]  - [  -0.0039474400000000,  0.0021874800000000, -0.0020361200000000 ]  - [  -0.0001736300000000, -0.0000132200000000, -0.0001130300000000 ]  - [  -0.0002350100000000, -0.0000554400000000, -0.0001812200000000 ]  - [  -0.1204045800000000,  0.0057336100000000,  0.0057336100000000 ]  - [  -0.0242974200000000,  0.0064192400000000,  0.0003053800000000 ]  - [   0.0000989300000000, -0.0001787000000000,  0.0000105700000000 ]  - [  -0.0043957300000000, -0.0004987400000000, -0.0000891300000000 ]  - [  -0.0001736300000000, -0.0001130300000000, -0.0000132200000000 ]  - [  -0.1112702400000000, -0.0065010000000000, -0.0065010000000000 ]  - [  -0.0046025100000000,  0.0003669900000000,  0.0001589600000000 ]  - [  -0.0206511900000000, -0.0066861000000000,  0.0005894400000000 ]  - [  -0.0242974200000000,  0.0003053800000000,  0.0064192400000000 ]  - [   0.0007123300000000, -0.0000551400000000,  0.0001162400000000 ]  - [   0.0000989300000000,  0.0000105700000000, -0.0001787000000000 ]  - [  -0.0003483600000000,  0.0000538600000000, -0.0001214800000000 ]  - [  -0.0002350100000000, -0.0001812200000000, -0.0000554400000000 ]  - [  -0.0046025100000000,  0.0001589600000000,  0.0003669900000000 ]  - [   0.0002454500000000, -0.0000376400000000, -0.0000376400000000 ]  - [   0.0007070200000000,  0.0001662100000000,  0.0001160000000000 ]  - [  -0.0043957300000000, -0.0000891300000000, -0.0004987400000000 ]  - [   0.0007123300000000,  0.0001162400000000, -0.0000551400000000 ]  - [  -0.0003483600000000, -0.0001214800000000,  0.0000538600000000 ]  - [   0.0001526800000000,  0.0000679000000000,  0.0000679000000000 ]  - [  -0.0206511900000000,  0.0005894400000000, -0.0066861000000000 ]  - [   0.0007070200000000,  0.0001160000000000,  0.0001662100000000 ]  - [   0.3628942300000000, -0.0013950300000000, -0.0013950300000000 ]  - [  -0.0092387000000000,  0.0005800200000000,  0.0000234000000000 ]  - [  -0.0092387000000000,  0.0000234000000000,  0.0005800200000000 ]  - [   0.0054327000000000, -0.0000124600000000, -0.0000124600000000 ]