# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/42babf9b-c045-450f-ab90-69ee410877a3/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 Rb2NaRhF6 / Fm-3m (225) / materials id 14038](https://mdr.nims.go.jp/datasets/2fb8d299-9b26-47db-a4f4-8f4cde5c0a1b)

## 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: "Fm-3m"  number: 225  Hall_symbol: "-F 4 2 3"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     0.000000000000000,     4.244262140000000,     4.244262140000000 ] # a  - [     4.244262140000000,     0.000000000000000,     4.244262140000000 ] # b  - [     4.244262140000000,     4.244262140000000,     0.000000000000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.233594810000000,  0.766405190000000,  0.766405190000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.233594810000000,  0.766405190000000,  0.233594810000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.766405190000000,  0.233594810000000,  0.766405190000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.233594810000000,  0.233594810000000,  0.766405190000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.766405190000000,  0.233594810000000,  0.233594810000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.766405190000000,  0.766405190000000,  0.233594810000000 ]    mass: 18.998403  - symbol: Na # 7    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769  - symbol: Rb # 8    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800  - symbol: Rb # 9    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800  - symbol: Rh # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 102.905500  reciprocal_lattice: # without 2pi  - [    -0.117806107046913,     0.117806107046913,     0.117806107046913 ] # a*  - [     0.117806107046913,    -0.117806107046913,     0.117806107046913 ] # b*  - [     0.117806107046913,     0.117806107046913,    -0.117806107046913 ] # c*unit_cell:  lattice:  - [     8.488524280000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.488524280000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.488524280000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.766405190000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.500000000000000,  0.233594810000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.266405190000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.733594810000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.233594810000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.266405190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.766405190000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.500000000000000,  0.733594810000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 9    coordinates: [  0.500000000000000,  0.766405190000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.233594810000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 11    coordinates: [  0.233594810000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.766405190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 13    coordinates: [  0.266405190000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 14    coordinates: [  0.000000000000000,  0.233594810000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 15    coordinates: [  0.000000000000000,  0.266405190000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 16    coordinates: [  0.000000000000000,  0.000000000000000,  0.233594810000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 17    coordinates: [  0.733594810000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.766405190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 19    coordinates: [  0.266405190000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 20    coordinates: [  0.000000000000000,  0.733594810000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 21    coordinates: [  0.000000000000000,  0.766405190000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.733594810000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 23    coordinates: [  0.733594810000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 24    coordinates: [  0.000000000000000,  0.500000000000000,  0.266405190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: Na # 25    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 26    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 28    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Rb # 29    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rb # 31    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rb # 33    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 34    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rb # 35    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 36    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rh # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 37  - symbol: Rh # 38    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 37  - symbol: Rh # 39    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 37  - symbol: Rh # 40    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 37supercell:  lattice:  - [     8.488524280000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.488524280000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.488524280000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.766405190000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.500000000000000,  0.233594810000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.500000000000000,  0.266405190000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.733594810000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.233594810000000,  0.000000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.266405190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.766405190000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.500000000000000,  0.733594810000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 9    coordinates: [  0.500000000000000,  0.766405190000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.233594810000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 11    coordinates: [  0.233594810000000,  0.500000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.766405190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 13    coordinates: [  0.266405190000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 14    coordinates: [  0.000000000000000,  0.233594810000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 15    coordinates: [  0.000000000000000,  0.266405190000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 16    coordinates: [  0.000000000000000,  0.000000000000000,  0.233594810000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 17    coordinates: [  0.733594810000000,  0.000000000000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.766405190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 19    coordinates: [  0.266405190000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 20    coordinates: [  0.000000000000000,  0.733594810000000,  0.500000000000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 21    coordinates: [  0.000000000000000,  0.766405190000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 22    coordinates: [  0.000000000000000,  0.500000000000000,  0.733594810000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 23    coordinates: [  0.733594810000000,  0.500000000000000,  0.000000000000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 24    coordinates: [  0.000000000000000,  0.500000000000000,  0.266405190000000 ]    mass: 18.998403    reduced_to: 6  - symbol: Na # 25    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 26    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 28    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Rb # 29    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rb # 31    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rb # 33    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 34    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rb # 35    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 29  - symbol: Rb # 36    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 30  - symbol: Rh # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 37  - symbol: Rh # 38    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 37  - symbol: Rh # 39    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 37  - symbol: Rh # 40    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 37displacements:- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0001460200000000, -0.0252099500000000,  0.0000000000000000 ]  - [  -0.0003703600000000, -0.0004388300000000,  0.0000000000000000 ]  - [  -0.0017722400000000,  0.0022421200000000,  0.0000000000000000 ]  - [   0.0000011400000000, -0.0006756200000000,  0.0000219200000000 ]  - [  -0.0000074800000000, -0.0087735900000000,  0.0000000000000000 ]  - [   0.0000011400000000, -0.0006756200000000, -0.0000219200000000 ]  - [  -0.0000160000000000,  0.0012126200000000,  0.0000000000000000 ]  - [   0.0017531900000000,  0.0022739400000000,  0.0000000000000000 ]  - [   0.0003656200000000, -0.0004718500000000,  0.0000000000000000 ]  - [  -0.0000018600000000,  0.0005084100000000,  0.0000202500000000 ]  - [   0.0000206100000000,  0.0001413700000000,  0.0000000000000000 ]  - [  -0.0000018600000000,  0.0005084100000000, -0.0000202500000000 ]  - [  -0.0000218500000000, -0.0001459000000000,  0.0000000000000000 ]  - [   0.0048555500000000, -0.0017296400000000,  0.0000000000000000 ]  - [   0.0003708800000000,  0.0003928300000000,  0.0000000000000000 ]  - [   0.0000028500000000, -0.0006034600000000,  0.0000102000000000 ]  - [   0.0000173800000000, -0.0007597100000000,  0.0000000000000000 ]  - [   0.0000028500000000, -0.0006034600000000, -0.0000102000000000 ]  - [  -0.0000205900000000,  0.0002827600000000,  0.0000000000000000 ]  - [  -0.0003650000000000,  0.0004340500000000,  0.0000000000000000 ]  - [  -0.0047256800000000, -0.0017858500000000,  0.0000000000000000 ]  - [   0.0000023700000000,  0.0005081800000000,  0.0000168800000000 ]  - [   0.0000141200000000,  0.0012972100000000,  0.0000000000000000 ]  - [   0.0000023700000000,  0.0005081800000000, -0.0000168800000000 ]  - [   0.0000302700000000,  0.0014355100000000,  0.0000000000000000 ]  - [   0.0000031500000000, -0.0004983800000000,  0.0000000000000000 ]  - [  -0.0000010300000000,  0.0004527600000000,  0.0000000000000000 ]  - [  -0.0000025200000000, -0.0009215300000000,  0.0000000000000000 ]  - [  -0.0000306100000000, -0.0000124900000000, -0.0001623000000000 ]  - [  -0.0001647400000000,  0.0011204800000000,  0.0003461100000000 ]  - [   0.0000334100000000, -0.0000234900000000, -0.0001690000000000 ]  - [   0.0001619700000000,  0.0010463200000000,  0.0002721300000000 ]  - [  -0.0001647400000000,  0.0011204800000000, -0.0003461100000000 ]  - [  -0.0000306100000000, -0.0000124900000000,  0.0001623000000000 ]  - [   0.0001619700000000,  0.0010463200000000, -0.0002721300000000 ]  - [   0.0000334100000000, -0.0000234900000000,  0.0001690000000000 ]  - [  -0.0002844900000000,  0.0298089800000000,  0.0000000000000000 ]  - [  -0.0000075400000000, -0.0011138100000000,  0.0000000000000000 ]  - [   0.0000024400000000,  0.0009769200000000,  0.0000000000000000 ]  - [   0.0000064700000000, -0.0028386500000000,  0.0000000000000000 ]- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1636481700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004191900000000, -0.0002926900000000,  0.0000000000000000 ]  - [   0.0022599600000000, -0.0023564600000000,  0.0000000000000000 ]  - [   0.0022599600000000,  0.0000000000000000,  0.0023564600000000 ]  - [   0.0244197400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0022599600000000,  0.0000000000000000, -0.0023564600000000 ]  - [  -0.0007191800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0022599600000000,  0.0023564600000000,  0.0000000000000000 ]  - [   0.0004191900000000,  0.0002926900000000,  0.0000000000000000 ]  - [   0.0004191900000000,  0.0000000000000000, -0.0002926900000000 ]  - [  -0.0001394800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004191900000000,  0.0000000000000000,  0.0002926900000000 ]  - [   0.0012638200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0018074700000000,  0.0037407300000000,  0.0000000000000000 ]  - [  -0.0004556200000000,  0.0002951200000000,  0.0000000000000000 ]  - [  -0.0018074700000000,  0.0000000000000000,  0.0037407300000000 ]  - [  -0.0005236100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0018074700000000,  0.0000000000000000, -0.0037407300000000 ]  - [   0.0012638200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004556200000000, -0.0002951200000000,  0.0000000000000000 ]  - [  -0.0018074700000000, -0.0037407300000000,  0.0000000000000000 ]  - [  -0.0004556200000000,  0.0000000000000000, -0.0002951200000000 ]  - [  -0.0005236100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004556200000000,  0.0000000000000000,  0.0002951200000000 ]  - [   0.0065363400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004372400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004485300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004485300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0013758600000000, -0.0011395000000000, -0.0011395000000000 ]  - [   0.0017922900000000,  0.0012523000000000,  0.0012523000000000 ]  - [  -0.0013758600000000,  0.0011395000000000,  0.0011395000000000 ]  - [   0.0017922900000000, -0.0012523000000000, -0.0012523000000000 ]  - [   0.0017922900000000,  0.0012523000000000, -0.0012523000000000 ]  - [  -0.0013758600000000, -0.0011395000000000,  0.0011395000000000 ]  - [   0.0017922900000000, -0.0012523000000000,  0.0012523000000000 ]  - [  -0.0013758600000000,  0.0011395000000000, -0.0011395000000000 ]  - [   0.1279053800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0011168300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003708300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003708300000000,  0.0000000000000000,  0.0000000000000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1564365400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004097800000000,  0.0003290600000000,  0.0000000000000000 ]  - [  -0.0022553100000000,  0.0023665300000000,  0.0000000000000000 ]  - [  -0.0022553100000000,  0.0000000000000000, -0.0023665300000000 ]  - [  -0.0240039000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0022553100000000,  0.0000000000000000,  0.0023665300000000 ]  - [   0.0006865300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0022553100000000, -0.0023665300000000,  0.0000000000000000 ]  - [  -0.0004097800000000, -0.0003290600000000,  0.0000000000000000 ]  - [  -0.0004097800000000,  0.0000000000000000,  0.0003290600000000 ]  - [   0.0001598500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004097800000000,  0.0000000000000000, -0.0003290600000000 ]  - [  -0.0012897200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0017088300000000, -0.0037061600000000,  0.0000000000000000 ]  - [   0.0004521500000000, -0.0003268100000000,  0.0000000000000000 ]  - [   0.0017088300000000,  0.0000000000000000, -0.0037061600000000 ]  - [   0.0005562700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0017088300000000,  0.0000000000000000,  0.0037061600000000 ]  - [  -0.0012897200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004521500000000,  0.0003268100000000,  0.0000000000000000 ]  - [   0.0017088300000000,  0.0037061600000000,  0.0000000000000000 ]  - [   0.0004521500000000,  0.0000000000000000,  0.0003268100000000 ]  - [   0.0005562700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004521500000000,  0.0000000000000000, -0.0003268100000000 ]  - [  -0.0075782200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004325100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004368800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004368800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0013870300000000,  0.0011234400000000,  0.0011234400000000 ]  - [  -0.0018124300000000, -0.0012380600000000, -0.0012380600000000 ]  - [   0.0013870300000000, -0.0011234400000000, -0.0011234400000000 ]  - [  -0.0018124300000000,  0.0012380600000000,  0.0012380600000000 ]  - [  -0.0018124300000000, -0.0012380600000000,  0.0012380600000000 ]  - [   0.0013870300000000,  0.0011234400000000, -0.0011234400000000 ]  - [  -0.0018124300000000,  0.0012380600000000, -0.0012380600000000 ]  - [   0.0013870300000000, -0.0011234400000000,  0.0011234400000000 ]  - [  -0.1196880500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010961700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003547900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003547900000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0075439900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004491300000000,  0.0000175200000000,  0.0000000000000000 ]  - [   0.0014320700000000, -0.0000437300000000,  0.0000000000000000 ]  - [   0.0014320700000000,  0.0000000000000000,  0.0000437300000000 ]  - [   0.0065535300000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0014320700000000,  0.0000000000000000, -0.0000437300000000 ]  - [  -0.0004500200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0014320700000000,  0.0000437300000000,  0.0000000000000000 ]  - [   0.0004491300000000, -0.0000175200000000,  0.0000000000000000 ]  - [   0.0004491300000000,  0.0000000000000000,  0.0000175200000000 ]  - [  -0.0004266000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0004491300000000,  0.0000000000000000, -0.0000175200000000 ]  - [   0.0004198000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009244100000000,  0.0000124300000000,  0.0000000000000000 ]  - [  -0.0005013100000000, -0.0000144600000000,  0.0000000000000000 ]  - [  -0.0009244100000000,  0.0000000000000000,  0.0000124300000000 ]  - [   0.0004535500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0009244100000000,  0.0000000000000000, -0.0000124300000000 ]  - [   0.0004198000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005013100000000,  0.0000144600000000,  0.0000000000000000 ]  - [  -0.0009244100000000, -0.0000124300000000,  0.0000000000000000 ]  - [  -0.0005013100000000,  0.0000000000000000,  0.0000144600000000 ]  - [   0.0004535500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005013100000000,  0.0000000000000000, -0.0000144600000000 ]  - [  -0.0371116500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0004521100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005258000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005258000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008240300000000, -0.0016317800000000, -0.0016317800000000 ]  - [   0.0008151900000000,  0.0016427800000000,  0.0016427800000000 ]  - [   0.0008240300000000,  0.0016317800000000,  0.0016317800000000 ]  - [   0.0008151900000000, -0.0016427800000000, -0.0016427800000000 ]  - [   0.0008151900000000,  0.0016427800000000, -0.0016427800000000 ]  - [   0.0008240300000000, -0.0016317800000000,  0.0016317800000000 ]  - [   0.0008151900000000, -0.0016427800000000,  0.0016427800000000 ]  - [   0.0008240300000000,  0.0016317800000000, -0.0016317800000000 ]  - [   0.0127610500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0011296500000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003624700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003624700000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   29  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0013976900000000, -0.0000305000000000, -0.0000305000000000 ]  - [   0.0011268900000000,  0.0012591600000000,  0.0003493100000000 ]  - [   0.0011268900000000, -0.0012591600000000, -0.0003493100000000 ]  - [  -0.0000151200000000,  0.0001659600000000, -0.0011197700000000 ]  - [   0.0018053500000000,  0.0001618300000000,  0.0001618300000000 ]  - [   0.0011268900000000, -0.0003493100000000, -0.0012591600000000 ]  - [  -0.0013976900000000,  0.0000305000000000,  0.0000305000000000 ]  - [  -0.0000151200000000, -0.0011197700000000,  0.0001659600000000 ]  - [  -0.0000151200000000,  0.0011197700000000, -0.0001659600000000 ]  - [   0.0011268900000000,  0.0003493100000000,  0.0012591600000000 ]  - [   0.0018053500000000, -0.0001618300000000, -0.0001618300000000 ]  - [  -0.0000151200000000, -0.0001659600000000,  0.0011197700000000 ]  - [   0.0017956700000000, -0.0001650200000000,  0.0001650200000000 ]  - [   0.0010426500000000, -0.0012316000000000,  0.0002692900000000 ]  - [   0.0010426500000000,  0.0012316000000000, -0.0002692900000000 ]  - [   0.0010426500000000,  0.0002692900000000, -0.0012316000000000 ]  - [  -0.0013678300000000,  0.0000333500000000, -0.0000333500000000 ]  - [  -0.0000176400000000, -0.0001657300000000, -0.0011429000000000 ]  - [   0.0017956700000000,  0.0001650200000000, -0.0001650200000000 ]  - [  -0.0000176400000000,  0.0011429000000000,  0.0001657300000000 ]  - [  -0.0000176400000000, -0.0011429000000000, -0.0001657300000000 ]  - [  -0.0000176400000000,  0.0001657300000000,  0.0011429000000000 ]  - [  -0.0013678300000000, -0.0000333500000000,  0.0000333500000000 ]  - [   0.0010426500000000, -0.0002692900000000,  0.0012316000000000 ]  - [   0.0008203800000000, -0.0016422200000000, -0.0016422200000000 ]  - [   0.0008203800000000,  0.0016422200000000,  0.0016422200000000 ]  - [   0.0008291200000000,  0.0016323800000000, -0.0016323800000000 ]  - [   0.0008291200000000, -0.0016323800000000,  0.0016323800000000 ]  - [  -0.0224630100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0060585100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010035000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0010132800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0016612000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0020119200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0016612000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0020119200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009059200000000,  0.0036860500000000,  0.0036860500000000 ]  - [   0.0009059200000000, -0.0036860500000000, -0.0036860500000000 ]  - [   0.0008836400000000, -0.0037058700000000,  0.0037058700000000 ]  - [   0.0008836400000000,  0.0037058700000000, -0.0037058700000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1193750800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011092600000000,  0.0000148200000000,  0.0000000000000000 ]  - [  -0.0028350700000000, -0.0000031200000000,  0.0000000000000000 ]  - [  -0.0028350700000000,  0.0000000000000000,  0.0000031200000000 ]  - [   0.1282155400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0028350700000000,  0.0000000000000000, -0.0000031200000000 ]  - [   0.0010921100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0028350700000000,  0.0000031200000000,  0.0000000000000000 ]  - [  -0.0011092600000000, -0.0000148200000000,  0.0000000000000000 ]  - [  -0.0011092600000000,  0.0000000000000000,  0.0000148200000000 ]  - [   0.0011190800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0011092600000000,  0.0000000000000000, -0.0000148200000000 ]  - [  -0.0003758400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0298082400000000, -0.0000963800000000,  0.0000000000000000 ]  - [   0.0009788600000000, -0.0000101400000000,  0.0000000000000000 ]  - [   0.0298082400000000,  0.0000000000000000, -0.0000963800000000 ]  - [  -0.0003468000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0298082400000000,  0.0000000000000000,  0.0000963800000000 ]  - [  -0.0003758400000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009788600000000,  0.0000101400000000,  0.0000000000000000 ]  - [   0.0298082400000000,  0.0000963800000000,  0.0000000000000000 ]  - [   0.0009788600000000,  0.0000000000000000,  0.0000101400000000 ]  - [  -0.0003468000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0009788600000000,  0.0000000000000000, -0.0000101400000000 ]  - [   0.0127690500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0011348900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003576700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003576700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0008996400000000,  0.0037025600000000,  0.0037025600000000 ]  - [   0.0008899300000000, -0.0036900200000000, -0.0036900200000000 ]  - [   0.0008996400000000, -0.0037025600000000, -0.0037025600000000 ]  - [   0.0008899300000000,  0.0036900200000000,  0.0036900200000000 ]  - [   0.0008899300000000, -0.0036900200000000,  0.0036900200000000 ]  - [   0.0008996400000000,  0.0037025600000000, -0.0037025600000000 ]  - [   0.0008899300000000,  0.0036900200000000, -0.0036900200000000 ]  - [   0.0008996400000000, -0.0037025600000000,  0.0037025600000000 ]  - [  -0.3765397700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0027897600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0016275200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0016275200000000,  0.0000000000000000,  0.0000000000000000 ]