# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7d2521c5-5fd8-4c4e-a62e-4cbe2f0bc248/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 Li7VN4 / P-43n (218) / materials id 4825](https://mdr.nims.go.jp/datasets/d2a83b84-0998-433f-a04a-77ef4e6bc0f7)

## 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-43n"  number: 218  Hall_symbol: "P -4n 2 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     9.509149740000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.509149740000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.509149740000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.515704580000000,  0.736735870000000,  0.750436610000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.515704580000000,  0.263264130000000,  0.249563390000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.736735870000000,  0.750436610000000,  0.515704580000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.263264130000000,  0.750436610000000,  0.484295420000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.750436610000000,  0.515704580000000,  0.736735870000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.249563390000000,  0.484295420000000,  0.736735870000000 ]    mass: 6.941000  - symbol: Li # 7    coordinates: [  0.984295420000000,  0.749563390000000,  0.236735870000000 ]    mass: 6.941000  - symbol: Li # 8    coordinates: [  0.984295420000000,  0.250436610000000,  0.763264130000000 ]    mass: 6.941000  - symbol: Li # 9    coordinates: [  0.015704580000000,  0.749563390000000,  0.763264130000000 ]    mass: 6.941000  - symbol: Li # 10    coordinates: [  0.250436610000000,  0.763264130000000,  0.984295420000000 ]    mass: 6.941000  - symbol: Li # 11    coordinates: [  0.763264130000000,  0.015704580000000,  0.749563390000000 ]    mass: 6.941000  - symbol: Li # 12    coordinates: [  0.763264130000000,  0.984295420000000,  0.250436610000000 ]    mass: 6.941000  - symbol: Li # 13    coordinates: [  0.749563390000000,  0.236735870000000,  0.984295420000000 ]    mass: 6.941000  - symbol: Li # 14    coordinates: [  0.236735870000000,  0.984295420000000,  0.749563390000000 ]    mass: 6.941000  - symbol: Li # 15    coordinates: [  0.749563390000000,  0.763264130000000,  0.015704580000000 ]    mass: 6.941000  - symbol: Li # 16    coordinates: [  0.250436610000000,  0.236735870000000,  0.015704580000000 ]    mass: 6.941000  - symbol: Li # 17    coordinates: [  0.236735870000000,  0.015704580000000,  0.250436610000000 ]    mass: 6.941000  - symbol: Li # 18    coordinates: [  0.249563390000000,  0.515704580000000,  0.263264130000000 ]    mass: 6.941000  - symbol: Li # 19    coordinates: [  0.750436610000000,  0.484295420000000,  0.263264130000000 ]    mass: 6.941000  - symbol: Li # 20    coordinates: [  0.736735870000000,  0.249563390000000,  0.484295420000000 ]    mass: 6.941000  - symbol: Li # 21    coordinates: [  0.263264130000000,  0.249563390000000,  0.515704580000000 ]    mass: 6.941000  - symbol: Li # 22    coordinates: [  0.484295420000000,  0.263264130000000,  0.750436610000000 ]    mass: 6.941000  - symbol: Li # 23    coordinates: [  0.484295420000000,  0.736735870000000,  0.249563390000000 ]    mass: 6.941000  - symbol: Li # 24    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 25    coordinates: [  0.015704580000000,  0.250436610000000,  0.236735870000000 ]    mass: 6.941000  - symbol: Li # 26    coordinates: [  0.734744620000000,  0.265255380000000,  0.734744620000000 ]    mass: 6.941000  - symbol: Li # 27    coordinates: [  0.265255380000000,  0.734744620000000,  0.734744620000000 ]    mass: 6.941000  - symbol: Li # 28    coordinates: [  0.734744620000000,  0.734744620000000,  0.265255380000000 ]    mass: 6.941000  - symbol: Li # 29    coordinates: [  0.765255380000000,  0.234744620000000,  0.234744620000000 ]    mass: 6.941000  - symbol: Li # 30    coordinates: [  0.234744620000000,  0.234744620000000,  0.765255380000000 ]    mass: 6.941000  - symbol: Li # 31    coordinates: [  0.234744620000000,  0.765255380000000,  0.234744620000000 ]    mass: 6.941000  - symbol: Li # 32    coordinates: [  0.265255380000000,  0.265255380000000,  0.265255380000000 ]    mass: 6.941000  - symbol: Li # 33    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 34    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 35    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 36    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 37    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 39    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 40    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 41    coordinates: [  0.235119330000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 42    coordinates: [  0.264880670000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 43    coordinates: [  0.000000000000000,  0.000000000000000,  0.735119330000000 ]    mass: 6.941000  - symbol: Li # 44    coordinates: [  0.000000000000000,  0.000000000000000,  0.264880670000000 ]    mass: 6.941000  - symbol: Li # 45    coordinates: [  0.000000000000000,  0.264880670000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 46    coordinates: [  0.000000000000000,  0.735119330000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 47    coordinates: [  0.500000000000000,  0.235119330000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.235119330000000 ]    mass: 6.941000  - symbol: Li # 49    coordinates: [  0.500000000000000,  0.764880670000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 50    coordinates: [  0.500000000000000,  0.500000000000000,  0.764880670000000 ]    mass: 6.941000  - symbol: Li # 51    coordinates: [  0.764880670000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 52    coordinates: [  0.735119330000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 53    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 54    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000  - symbol: Li # 55    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000  - symbol: Li # 56    coordinates: [  0.765255380000000,  0.765255380000000,  0.765255380000000 ]    mass: 6.941000  - symbol: N  # 57    coordinates: [  0.616348280000000,  0.891436720000000,  0.641770350000000 ]    mass: 14.006700  - symbol: N  # 58    coordinates: [  0.616348280000000,  0.108563280000000,  0.358229650000000 ]    mass: 14.006700  - symbol: N  # 59    coordinates: [  0.891436720000000,  0.641770350000000,  0.616348280000000 ]    mass: 14.006700  - symbol: N  # 60    coordinates: [  0.108563280000000,  0.641770350000000,  0.383651720000000 ]    mass: 14.006700  - symbol: N  # 61    coordinates: [  0.641770350000000,  0.616348280000000,  0.891436720000000 ]    mass: 14.006700  - symbol: N  # 62    coordinates: [  0.358229650000000,  0.383651720000000,  0.891436720000000 ]    mass: 14.006700  - symbol: N  # 63    coordinates: [  0.883651720000000,  0.858229650000000,  0.391436720000000 ]    mass: 14.006700  - symbol: N  # 64    coordinates: [  0.883651720000000,  0.141770350000000,  0.608563280000000 ]    mass: 14.006700  - symbol: N  # 65    coordinates: [  0.116348280000000,  0.858229650000000,  0.608563280000000 ]    mass: 14.006700  - symbol: N  # 66    coordinates: [  0.141770350000000,  0.608563280000000,  0.883651720000000 ]    mass: 14.006700  - symbol: N  # 67    coordinates: [  0.608563280000000,  0.116348280000000,  0.858229650000000 ]    mass: 14.006700  - symbol: N  # 68    coordinates: [  0.608563280000000,  0.883651720000000,  0.141770350000000 ]    mass: 14.006700  - symbol: N  # 69    coordinates: [  0.858229650000000,  0.391436720000000,  0.883651720000000 ]    mass: 14.006700  - symbol: N  # 70    coordinates: [  0.391436720000000,  0.883651720000000,  0.858229650000000 ]    mass: 14.006700  - symbol: N  # 71    coordinates: [  0.858229650000000,  0.608563280000000,  0.116348280000000 ]    mass: 14.006700  - symbol: N  # 72    coordinates: [  0.141770350000000,  0.391436720000000,  0.116348280000000 ]    mass: 14.006700  - symbol: N  # 73    coordinates: [  0.391436720000000,  0.116348280000000,  0.141770350000000 ]    mass: 14.006700  - symbol: N  # 74    coordinates: [  0.358229650000000,  0.616348280000000,  0.108563280000000 ]    mass: 14.006700  - symbol: N  # 75    coordinates: [  0.641770350000000,  0.383651720000000,  0.108563280000000 ]    mass: 14.006700  - symbol: N  # 76    coordinates: [  0.891436720000000,  0.358229650000000,  0.383651720000000 ]    mass: 14.006700  - symbol: N  # 77    coordinates: [  0.108563280000000,  0.358229650000000,  0.616348280000000 ]    mass: 14.006700  - symbol: N  # 78    coordinates: [  0.383651720000000,  0.108563280000000,  0.641770350000000 ]    mass: 14.006700  - symbol: N  # 79    coordinates: [  0.383651720000000,  0.891436720000000,  0.358229650000000 ]    mass: 14.006700  - symbol: N  # 80    coordinates: [  0.116348280000000,  0.141770350000000,  0.391436720000000 ]    mass: 14.006700  - symbol: N  # 81    coordinates: [  0.889258080000000,  0.889258080000000,  0.889258080000000 ]    mass: 14.006700  - symbol: N  # 82    coordinates: [  0.610741920000000,  0.389258080000000,  0.610741920000000 ]    mass: 14.006700  - symbol: N  # 83    coordinates: [  0.389258080000000,  0.610741920000000,  0.610741920000000 ]    mass: 14.006700  - symbol: N  # 84    coordinates: [  0.610741920000000,  0.610741920000000,  0.389258080000000 ]    mass: 14.006700  - symbol: N  # 85    coordinates: [  0.889258080000000,  0.110741920000000,  0.110741920000000 ]    mass: 14.006700  - symbol: N  # 86    coordinates: [  0.110741920000000,  0.110741920000000,  0.889258080000000 ]    mass: 14.006700  - symbol: N  # 87    coordinates: [  0.110741920000000,  0.889258080000000,  0.110741920000000 ]    mass: 14.006700  - symbol: N  # 88    coordinates: [  0.389258080000000,  0.389258080000000,  0.389258080000000 ]    mass: 14.006700  - symbol: V  # 89    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 50.941500  - symbol: V  # 90    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 50.941500  - symbol: V  # 91    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 50.941500  - symbol: V  # 92    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 50.941500  - symbol: V  # 93    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 50.941500  - symbol: V  # 94    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 50.941500  - symbol: V  # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 50.941500  - symbol: V  # 96    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 50.941500  reciprocal_lattice: # without 2pi  - [     0.105161873284372,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.105161873284372,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.105161873284372 ] # c*unit_cell:  lattice:  - [     9.509149740000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.509149740000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.509149740000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.515704580000000,  0.736735870000000,  0.750436610000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.515704580000000,  0.263264130000000,  0.249563390000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.736735870000000,  0.750436610000000,  0.515704580000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.263264130000000,  0.750436610000000,  0.484295420000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.750436610000000,  0.515704580000000,  0.736735870000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.249563390000000,  0.484295420000000,  0.736735870000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.984295420000000,  0.749563390000000,  0.236735870000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.984295420000000,  0.250436610000000,  0.763264130000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 9    coordinates: [  0.015704580000000,  0.749563390000000,  0.763264130000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.250436610000000,  0.763264130000000,  0.984295420000000 ]    mass: 6.941000    reduced_to: 10  - symbol: Li # 11    coordinates: [  0.763264130000000,  0.015704580000000,  0.749563390000000 ]    mass: 6.941000    reduced_to: 11  - symbol: Li # 12    coordinates: [  0.763264130000000,  0.984295420000000,  0.250436610000000 ]    mass: 6.941000    reduced_to: 12  - symbol: Li # 13    coordinates: [  0.749563390000000,  0.236735870000000,  0.984295420000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 14    coordinates: [  0.236735870000000,  0.984295420000000,  0.749563390000000 ]    mass: 6.941000    reduced_to: 14  - symbol: Li # 15    coordinates: [  0.749563390000000,  0.763264130000000,  0.015704580000000 ]    mass: 6.941000    reduced_to: 15  - symbol: Li # 16    coordinates: [  0.250436610000000,  0.236735870000000,  0.015704580000000 ]    mass: 6.941000    reduced_to: 16  - symbol: Li # 17    coordinates: [  0.236735870000000,  0.015704580000000,  0.250436610000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 18    coordinates: [  0.249563390000000,  0.515704580000000,  0.263264130000000 ]    mass: 6.941000    reduced_to: 18  - symbol: Li # 19    coordinates: [  0.750436610000000,  0.484295420000000,  0.263264130000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 20    coordinates: [  0.736735870000000,  0.249563390000000,  0.484295420000000 ]    mass: 6.941000    reduced_to: 20  - symbol: Li # 21    coordinates: [  0.263264130000000,  0.249563390000000,  0.515704580000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 22    coordinates: [  0.484295420000000,  0.263264130000000,  0.750436610000000 ]    mass: 6.941000    reduced_to: 22  - symbol: Li # 23    coordinates: [  0.484295420000000,  0.736735870000000,  0.249563390000000 ]    mass: 6.941000    reduced_to: 23  - symbol: Li # 24    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 24  - symbol: Li # 25    coordinates: [  0.015704580000000,  0.250436610000000,  0.236735870000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 26    coordinates: [  0.734744620000000,  0.265255380000000,  0.734744620000000 ]    mass: 6.941000    reduced_to: 26  - symbol: Li # 27    coordinates: [  0.265255380000000,  0.734744620000000,  0.734744620000000 ]    mass: 6.941000    reduced_to: 27  - symbol: Li # 28    coordinates: [  0.734744620000000,  0.734744620000000,  0.265255380000000 ]    mass: 6.941000    reduced_to: 28  - symbol: Li # 29    coordinates: [  0.765255380000000,  0.234744620000000,  0.234744620000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 30    coordinates: [  0.234744620000000,  0.234744620000000,  0.765255380000000 ]    mass: 6.941000    reduced_to: 30  - symbol: Li # 31    coordinates: [  0.234744620000000,  0.765255380000000,  0.234744620000000 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 32    coordinates: [  0.265255380000000,  0.265255380000000,  0.265255380000000 ]    mass: 6.941000    reduced_to: 32  - symbol: Li # 33    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 33  - symbol: Li # 34    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 34  - symbol: Li # 35    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 35  - symbol: Li # 36    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 36  - symbol: Li # 37    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 37  - symbol: Li # 38    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 38  - symbol: Li # 39    coordinates: [  0.750000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 39  - symbol: Li # 40    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 40  - symbol: Li # 41    coordinates: [  0.235119330000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 42    coordinates: [  0.264880670000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 42  - symbol: Li # 43    coordinates: [  0.000000000000000,  0.000000000000000,  0.735119330000000 ]    mass: 6.941000    reduced_to: 43  - symbol: Li # 44    coordinates: [  0.000000000000000,  0.000000000000000,  0.264880670000000 ]    mass: 6.941000    reduced_to: 44  - symbol: Li # 45    coordinates: [  0.000000000000000,  0.264880670000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 46    coordinates: [  0.000000000000000,  0.735119330000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 46  - symbol: Li # 47    coordinates: [  0.500000000000000,  0.235119330000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 47  - symbol: Li # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.235119330000000 ]    mass: 6.941000    reduced_to: 48  - symbol: Li # 49    coordinates: [  0.500000000000000,  0.764880670000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 50    coordinates: [  0.500000000000000,  0.500000000000000,  0.764880670000000 ]    mass: 6.941000    reduced_to: 50  - symbol: Li # 51    coordinates: [  0.764880670000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 51  - symbol: Li # 52    coordinates: [  0.735119330000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 52  - symbol: Li # 53    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 53  - symbol: Li # 54    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 54  - symbol: Li # 55    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 56    coordinates: [  0.765255380000000,  0.765255380000000,  0.765255380000000 ]    mass: 6.941000    reduced_to: 56  - symbol: N  # 57    coordinates: [  0.616348280000000,  0.891436720000000,  0.641770350000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 58    coordinates: [  0.616348280000000,  0.108563280000000,  0.358229650000000 ]    mass: 14.006700    reduced_to: 58  - symbol: N  # 59    coordinates: [  0.891436720000000,  0.641770350000000,  0.616348280000000 ]    mass: 14.006700    reduced_to: 59  - symbol: N  # 60    coordinates: [  0.108563280000000,  0.641770350000000,  0.383651720000000 ]    mass: 14.006700    reduced_to: 60  - symbol: N  # 61    coordinates: [  0.641770350000000,  0.616348280000000,  0.891436720000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 62    coordinates: [  0.358229650000000,  0.383651720000000,  0.891436720000000 ]    mass: 14.006700    reduced_to: 62  - symbol: N  # 63    coordinates: [  0.883651720000000,  0.858229650000000,  0.391436720000000 ]    mass: 14.006700    reduced_to: 63  - symbol: N  # 64    coordinates: [  0.883651720000000,  0.141770350000000,  0.608563280000000 ]    mass: 14.006700    reduced_to: 64  - symbol: N  # 65    coordinates: [  0.116348280000000,  0.858229650000000,  0.608563280000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 66    coordinates: [  0.141770350000000,  0.608563280000000,  0.883651720000000 ]    mass: 14.006700    reduced_to: 66  - 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symbol: V  # 91    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 50.941500    reduced_to: 91  - symbol: V  # 92    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 50.941500    reduced_to: 92  - symbol: V  # 93    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 50.941500    reduced_to: 93  - symbol: V  # 94    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 50.941500    reduced_to: 94  - symbol: V  # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 50.941500    reduced_to: 95  - symbol: V  # 96    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 50.941500    reduced_to: 96supercell:  lattice:  - [     9.509149740000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.509149740000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.509149740000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.515704580000000,  0.736735870000000,  0.750436610000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.515704580000000,  0.263264130000000,  0.249563390000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.736735870000000,  0.750436610000000,  0.515704580000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.263264130000000,  0.750436610000000,  0.484295420000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.750436610000000,  0.515704580000000,  0.736735870000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.249563390000000,  0.484295420000000,  0.736735870000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.984295420000000,  0.749563390000000,  0.236735870000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.984295420000000,  0.250436610000000,  0.763264130000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 9    coordinates: [  0.015704580000000,  0.749563390000000,  0.763264130000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.250436610000000,  0.763264130000000,  0.984295420000000 ]    mass: 6.941000    reduced_to: 10  - symbol: Li # 11    coordinates: [  0.763264130000000,  0.015704580000000,  0.749563390000000 ]    mass: 6.941000    reduced_to: 11  - symbol: Li # 12    coordinates: [  0.763264130000000,  0.984295420000000,  0.250436610000000 ]    mass: 6.941000    reduced_to: 12  - symbol: Li # 13    coordinates: [  0.749563390000000,  0.236735870000000,  0.984295420000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 14    coordinates: [  0.236735870000000,  0.984295420000000,  0.749563390000000 ]    mass: 6.941000    reduced_to: 14  - symbol: Li # 15    coordinates: [  0.749563390000000,  0.763264130000000,  0.015704580000000 ]    mass: 6.941000    reduced_to: 15  - symbol: Li # 16    coordinates: [  0.250436610000000,  0.236735870000000,  0.015704580000000 ]    mass: 6.941000    reduced_to: 16  - symbol: Li # 17    coordinates: [  0.236735870000000,  0.015704580000000,  0.250436610000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 18    coordinates: [  0.249563390000000,  0.515704580000000,  0.263264130000000 ]    mass: 6.941000    reduced_to: 18  - symbol: Li # 19    coordinates: [  0.750436610000000,  0.484295420000000,  0.263264130000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 20    coordinates: [  0.736735870000000,  0.249563390000000,  0.484295420000000 ]    mass: 6.941000    reduced_to: 20  - symbol: Li # 21    coordinates: [  0.263264130000000,  0.249563390000000,  0.515704580000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 22    coordinates: [  0.484295420000000,  0.263264130000000,  0.750436610000000 ]    mass: 6.941000    reduced_to: 22  - symbol: Li # 23    coordinates: [  0.484295420000000,  0.736735870000000,  0.249563390000000 ]    mass: 6.941000    reduced_to: 23  - symbol: Li # 24    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 24  - symbol: Li # 25    coordinates: [  0.015704580000000,  0.250436610000000,  0.236735870000000 ]    mass: 6.941000    reduced_to: 25  - symbol: Li # 26    coordinates: [  0.734744620000000,  0.265255380000000,  0.734744620000000 ]    mass: 6.941000    reduced_to: 26  - symbol: Li # 27    coordinates: [  0.265255380000000,  0.734744620000000,  0.734744620000000 ]    mass: 6.941000    reduced_to: 27  - symbol: Li # 28    coordinates: [  0.734744620000000,  0.734744620000000,  0.265255380000000 ]    mass: 6.941000    reduced_to: 28  - symbol: Li # 29    coordinates: [  0.765255380000000,  0.234744620000000,  0.234744620000000 ]    mass: 6.941000    reduced_to: 29  - symbol: Li # 30    coordinates: [  0.234744620000000,  0.234744620000000,  0.765255380000000 ]    mass: 6.941000    reduced_to: 30  - symbol: Li # 31    coordinates: [  0.234744620000000,  0.765255380000000,  0.234744620000000 ]    mass: 6.941000    reduced_to: 31  - symbol: Li # 32    coordinates: [  0.265255380000000,  0.265255380000000,  0.265255380000000 ]    mass: 6.941000    reduced_to: 32  - 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symbol: Li # 41    coordinates: [  0.235119330000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 41  - symbol: Li # 42    coordinates: [  0.264880670000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 42  - symbol: Li # 43    coordinates: [  0.000000000000000,  0.000000000000000,  0.735119330000000 ]    mass: 6.941000    reduced_to: 43  - symbol: Li # 44    coordinates: [  0.000000000000000,  0.000000000000000,  0.264880670000000 ]    mass: 6.941000    reduced_to: 44  - symbol: Li # 45    coordinates: [  0.000000000000000,  0.264880670000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 45  - symbol: Li # 46    coordinates: [  0.000000000000000,  0.735119330000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 46  - symbol: Li # 47    coordinates: [  0.500000000000000,  0.235119330000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 47  - symbol: Li # 48    coordinates: [  0.500000000000000,  0.500000000000000,  0.235119330000000 ]    mass: 6.941000    reduced_to: 48  - symbol: Li # 49    coordinates: [  0.500000000000000,  0.764880670000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 49  - symbol: Li # 50    coordinates: [  0.500000000000000,  0.500000000000000,  0.764880670000000 ]    mass: 6.941000    reduced_to: 50  - symbol: Li # 51    coordinates: [  0.764880670000000,  0.500000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 51  - symbol: Li # 52    coordinates: [  0.735119330000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 52  - symbol: Li # 53    coordinates: [  0.250000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 53  - symbol: Li # 54    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 54  - symbol: Li # 55    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 55  - symbol: Li # 56    coordinates: [  0.765255380000000,  0.765255380000000,  0.765255380000000 ]    mass: 6.941000    reduced_to: 56  - symbol: N  # 57    coordinates: [  0.616348280000000,  0.891436720000000,  0.641770350000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 58    coordinates: [  0.616348280000000,  0.108563280000000,  0.358229650000000 ]    mass: 14.006700    reduced_to: 58  - symbol: N  # 59    coordinates: [  0.891436720000000,  0.641770350000000,  0.616348280000000 ]    mass: 14.006700    reduced_to: 59  - symbol: N  # 60    coordinates: [  0.108563280000000,  0.641770350000000,  0.383651720000000 ]    mass: 14.006700    reduced_to: 60  - symbol: N  # 61    coordinates: [  0.641770350000000,  0.616348280000000,  0.891436720000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 62    coordinates: [  0.358229650000000,  0.383651720000000,  0.891436720000000 ]    mass: 14.006700    reduced_to: 62  - symbol: N  # 63    coordinates: [  0.883651720000000,  0.858229650000000,  0.391436720000000 ]    mass: 14.006700    reduced_to: 63  - symbol: N  # 64    coordinates: [  0.883651720000000,  0.141770350000000,  0.608563280000000 ]    mass: 14.006700    reduced_to: 64  - 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symbol: V  # 89    coordinates: [  0.750000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 50.941500    reduced_to: 89  - symbol: V  # 90    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 50.941500    reduced_to: 90  - symbol: V  # 91    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 50.941500    reduced_to: 91  - symbol: V  # 92    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 50.941500    reduced_to: 92  - symbol: V  # 93    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 50.941500    reduced_to: 93  - symbol: V  # 94    coordinates: [  0.250000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 50.941500    reduced_to: 94  - symbol: V  # 95    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 50.941500    reduced_to: 95  - symbol: V  # 96    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 50.941500    reduced_to: 96displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - 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