# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/809099f5-d922-4829-b309-cbcbcf66e052/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 LiGe2(PO4)3 / R-3c (167) / materials id 541272](https://mdr.nims.go.jp/datasets/9aefb124-20b4-4d92-bc0c-cabcf128f455)

## 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: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.162668500000003,     2.403317779999997,     6.812978999999992 ] # a  - [    -4.162668499999995,     2.403317779999997,     6.812978999999992 ] # b  - [     0.000000000000004,    -4.806635560000002,     6.812978999999992 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.500000000000000,  0.500000010000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Ge # 3    coordinates: [  0.859720350000000,  0.859720340000000,  0.859720350000000 ]    mass: 72.640000  - symbol: Ge # 4    coordinates: [  0.640279650000000,  0.640279660000001,  0.640279650000000 ]    mass: 72.640000  - symbol: Ge # 5    coordinates: [  0.140279650000000,  0.140279650000000,  0.140279650000000 ]    mass: 72.640000  - symbol: Ge # 6    coordinates: [  0.359720340000000,  0.359720350000000,  0.359720340000000 ]    mass: 72.640000  - symbol: P  # 7    coordinates: [  0.461579910000000,  0.749999990000000,  0.038420090000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.750000000000000,  0.038420080000000,  0.461579910000000 ]    mass: 30.973762  - symbol: P  # 9    coordinates: [  0.038420090000000,  0.461579900000000,  0.750000000000000 ]    mass: 30.973762  - symbol: P  # 10    coordinates: [  0.538420090000000,  0.250000000000001,  0.961579910000000 ]    mass: 30.973762  - symbol: P  # 11    coordinates: [  0.250000000000000,  0.961579910000001,  0.538420090000000 ]    mass: 30.973762  - symbol: P  # 12    coordinates: [  0.961579910000000,  0.538420090000001,  0.250000000000000 ]    mass: 30.973762  - symbol: O  # 13    coordinates: [  0.629609100000000,  0.800974460000000,  0.006960050000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.800974460000000,  0.006960050000000,  0.629609100000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.006960050000000,  0.629609100000000,  0.800974460000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.493039950000000,  0.699025520000000,  0.870390900000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.699025530000000,  0.870390890000000,  0.493039950000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.870390900000000,  0.493039940000000,  0.699025530000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.370390900000000,  0.199025530000001,  0.993039950000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.199025530000000,  0.993039950000001,  0.370390900000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.993039950000000,  0.370390900000000,  0.199025530000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.506960050000000,  0.300974470000001,  0.129609100000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.300974470000000,  0.129609100000001,  0.506960050000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.129609100000000,  0.506960050000001,  0.300974470000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.735684100000000,  0.078228130000001,  0.944200790000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.078228120000000,  0.944200800000001,  0.735684100000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.944200790000000,  0.735684110000001,  0.078228120000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.555799210000000,  0.421771870000001,  0.764315900000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.421771880000000,  0.764315890000001,  0.555799210000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.764315900000000,  0.555799200000001,  0.421771880000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.264315900000000,  0.921771870000000,  0.055799200000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.921771870000000,  0.055799200000000,  0.264315900000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.055799200000000,  0.264315900000000,  0.921771870000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.444200800000000,  0.578228130000000,  0.235684110000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.578228130000000,  0.235684110000000,  0.444200800000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.235684110000000,  0.444200800000000,  0.578228130000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.120115257796771,     0.069348576394532,     0.048926223511526 ] # a*  - [    -0.120115257796772,     0.069348576394532,     0.048926223511526 ] # b*  - [    -0.000000000000000,    -0.138697152789064,     0.048926223511526 ] # c*unit_cell:  lattice:  - [     8.325336999999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.162668500000000,     7.209953340000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    20.438936999999999 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Ge # 7    coordinates: [  0.666666670000000,  0.333333330000000,  0.193053680000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 8    coordinates: [  0.333333330000000,  0.666666670000000,  0.306946320000000 ]    mass: 72.640000    reduced_to: 8  - symbol: Ge # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.140279650000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.026387010000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 11    coordinates: [  0.333333330000000,  0.666666670000000,  0.526387010000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.640279650000000 ]    mass: 72.640000    reduced_to: 8  - symbol: Ge # 13    coordinates: [  0.666666670000000,  0.333333330000000,  0.473612990000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.359720350000000 ]    mass: 72.640000    reduced_to: 10  - symbol: Ge # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.859720350000000 ]    mass: 72.640000    reduced_to: 7  - symbol: Ge # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.973612990000000 ]    mass: 72.640000    reduced_to: 8  - symbol: Ge # 17    coordinates: [  0.333333330000000,  0.666666670000000,  0.806946320000000 ]    mass: 72.640000    reduced_to: 9  - symbol: Ge # 18    coordinates: [  0.666666670000000,  0.333333330000000,  0.693053680000000 ]    mass: 72.640000    reduced_to: 10  - symbol: P  # 19    coordinates: [  0.378246580000000,  0.044913240000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 20    coordinates: [  0.666666670000000,  0.621753420000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 21    coordinates: [  0.955086760000000,  0.333333330000000,  0.083333330000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 22    coordinates: [  0.288420090000000,  0.288420090000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 23    coordinates: [  0.000000000000000,  0.711579910000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 24    coordinates: [  0.711579910000000,  0.000000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 24  - symbol: P  # 25    coordinates: [  0.044913240000000,  0.378246580000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 26    coordinates: [  0.333333330000000,  0.955086760000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 27    coordinates: [  0.621753420000000,  0.666666670000000,  0.416666670000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 28    coordinates: [  0.955086760000000,  0.621753420000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 29    coordinates: [  0.666666670000000,  0.044913240000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 30    coordinates: [  0.378246580000000,  0.333333330000000,  0.583333330000000 ]    mass: 30.973762    reduced_to: 24  - symbol: P  # 31    coordinates: [  0.711579910000000,  0.711579910000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 32    coordinates: [  0.000000000000000,  0.288420090000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 33    coordinates: [  0.288420090000000,  0.000000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 34    coordinates: [  0.621753420000000,  0.955086760000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 35    coordinates: [  0.333333330000000,  0.378246580000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 36    coordinates: [  0.044913240000000,  0.666666670000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.483761230000000,  0.138887820000000,  0.145847870000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.655126590000000,  0.516238770000000,  0.145847870000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.861112180000000,  0.344873410000000,  0.145847870000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.472221160000000,  0.150427890000000,  0.020818790000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.678206740000000,  0.527778840000000,  0.020818790000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.849572110000000,  0.321793260000000,  0.020818790000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.182905440000000,  0.194445510000000,  0.187485460000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.011540070000000,  0.817094560000000,  0.187485460000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.805554490000000,  0.988459930000000,  0.187485460000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.194445510000000,  0.182905440000000,  0.312514540000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.988459930000000,  0.805554490000000,  0.312514540000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.817094560000000,  0.011540070000000,  0.312514540000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.482979760000000,  0.308503550000000,  0.252704340000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.825523780000000,  0.517020240000000,  0.252704340000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 51    coordinates: [  0.691496450000000,  0.174476220000000,  0.252704340000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.308503550000000,  0.482979760000000,  0.247295660000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 53    coordinates: [  0.174476220000000,  0.691496450000000,  0.247295660000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.517020240000000,  0.825523780000000,  0.247295660000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 55    coordinates: [  0.183686910000000,  0.024829790000000,  0.080628990000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.841142880000000,  0.816313090000000,  0.080628990000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.975170210000000,  0.158857120000000,  0.080628990000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.358163120000000,  0.850353570000000,  0.086037680000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.492190450000000,  0.641836880000000,  0.086037680000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.149646430000000,  0.507809550000000,  0.086037680000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.150427890000000,  0.472221160000000,  0.479181210000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.321793260000000,  0.849572110000000,  0.479181210000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.527778840000000,  0.678206740000000,  0.479181210000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.138887820000000,  0.483761230000000,  0.354152130000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.344873410000000,  0.861112180000000,  0.354152130000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.516238770000000,  0.655126590000000,  0.354152130000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.849572110000000,  0.527778840000000,  0.520818790000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.678206740000000,  0.150427890000000,  0.520818790000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.472221160000000,  0.321793260000000,  0.520818790000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.861112180000000,  0.516238770000000,  0.645847870000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.655126590000000,  0.138887820000000,  0.645847870000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 72    coordinates: [  0.483761230000000,  0.344873410000000,  0.645847870000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 73    coordinates: [  0.149646430000000,  0.641836880000000,  0.586037680000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 74    coordinates: [  0.492190450000000,  0.850353570000000,  0.586037680000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 75    coordinates: [  0.358163120000000,  0.507809550000000,  0.586037680000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 76    coordinates: [  0.975170210000000,  0.816313090000000,  0.580628990000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 77    coordinates: [  0.841142880000000,  0.024829790000000,  0.580628990000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 78    coordinates: [  0.183686910000000,  0.158857120000000,  0.580628990000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 79    coordinates: [  0.850353570000000,  0.358163120000000,  0.413962320000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 80    coordinates: [  0.507809550000000,  0.149646430000000,  0.413962320000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 81    coordinates: [  0.641836880000000,  0.492190450000000,  0.413962320000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 82    coordinates: [  0.024829790000000,  0.183686910000000,  0.419371010000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 83    coordinates: [  0.158857120000000,  0.975170210000000,  0.419371010000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 84    coordinates: [  0.816313090000000,  0.841142880000000,  0.419371010000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 85    coordinates: [  0.817094560000000,  0.805554490000000,  0.812514540000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 86    coordinates: [  0.988459930000000,  0.182905440000000,  0.812514540000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 87    coordinates: [  0.194445510000000,  0.011540070000000,  0.812514540000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 88    coordinates: [  0.805554490000000,  0.817094560000000,  0.687485460000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 89    coordinates: [  0.011540070000000,  0.194445510000000,  0.687485460000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 90    coordinates: [  0.182905440000000,  0.988459930000000,  0.687485460000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 91    coordinates: [  0.516238770000000,  0.861112180000000,  0.854152130000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 92    coordinates: [  0.344873410000000,  0.483761230000000,  0.854152130000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 93    coordinates: [  0.138887820000000,  0.655126590000000,  0.854152130000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 94    coordinates: [  0.527778840000000,  0.849572110000000,  0.979181210000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 95    coordinates: [  0.321793260000000,  0.472221160000000,  0.979181210000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 96    coordinates: [  0.150427890000000,  0.678206740000000,  0.979181210000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 97    coordinates: [  0.816313090000000,  0.975170210000000,  0.919371010000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 98    coordinates: [  0.158857120000000,  0.183686910000000,  0.919371010000000 ]    mass: 15.999400    reduced_to: 50  - symbol: O  # 99    coordinates: [  0.024829790000000,  0.841142880000000,  0.919371010000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 100    coordinates: [  0.641836880000000,  0.149646430000000,  0.913962320000000 ]    mass: 15.999400    reduced_to: 52  - symbol: O  # 101    coordinates: [  0.507809550000000,  0.358163120000000,  0.913962320000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 102    coordinates: [  0.850353570000000,  0.492190450000000,  0.913962320000000 ]    mass: 15.999400    reduced_to: 54  - symbol: O  # 103    coordinates: [  0.517020240000000,  0.691496450000000,  0.747295660000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 104    coordinates: [  0.174476220000000,  0.482979760000000,  0.747295660000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 105    coordinates: [  0.308503550000000,  0.825523780000000,  0.747295660000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 106    coordinates: [  0.691496450000000,  0.517020240000000,  0.752704340000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 107    coordinates: [  0.825523780000000,  0.308503550000000,  0.752704340000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 108    coordinates: [  0.482979760000000,  0.174476220000000,  0.752704340000000 ]    mass: 15.999400    reduced_to: 60supercell:  lattice:  - [     8.325336999999999,     0.000000000000000,     0.000000000000000 ] # a  - 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symbol: P  # 32    coordinates: [  0.000000000000000,  0.288420090000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 33    coordinates: [  0.288420090000000,  0.000000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 34    coordinates: [  0.621753420000000,  0.955086760000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 35    coordinates: [  0.333333330000000,  0.378246580000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 36    coordinates: [  0.044913240000000,  0.666666670000000,  0.916666670000000 ]    mass: 30.973762    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.483761230000000,  0.138887820000000,  0.145847870000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.655126590000000,  0.516238770000000,  0.145847870000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.861112180000000,  0.344873410000000,  0.145847870000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.472221160000000,  0.150427890000000,  0.020818790000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.678206740000000,  0.527778840000000,  0.020818790000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.849572110000000,  0.321793260000000,  0.020818790000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.182905440000000,  0.194445510000000,  0.187485460000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.011540070000000,  0.817094560000000,  0.187485460000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.805554490000000,  0.988459930000000,  0.187485460000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.194445510000000,  0.182905440000000,  0.312514540000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.988459930000000,  0.805554490000000,  0.312514540000000 ]    mass: 15.999400    reduced_to: 47  - 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symbol: O  # 56    coordinates: [  0.841142880000000,  0.816313090000000,  0.080628990000000 ]    mass: 15.999400    reduced_to: 56  - symbol: O  # 57    coordinates: [  0.975170210000000,  0.158857120000000,  0.080628990000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.358163120000000,  0.850353570000000,  0.086037680000000 ]    mass: 15.999400    reduced_to: 58  - symbol: O  # 59    coordinates: [  0.492190450000000,  0.641836880000000,  0.086037680000000 ]    mass: 15.999400    reduced_to: 59  - symbol: O  # 60    coordinates: [  0.149646430000000,  0.507809550000000,  0.086037680000000 ]    mass: 15.999400    reduced_to: 60  - symbol: O  # 61    coordinates: [  0.150427890000000,  0.472221160000000,  0.479181210000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.321793260000000,  0.849572110000000,  0.479181210000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.527778840000000,  0.678206740000000,  0.479181210000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.138887820000000,  0.483761230000000,  0.354152130000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.344873410000000,  0.861112180000000,  0.354152130000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.516238770000000,  0.655126590000000,  0.354152130000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 67    coordinates: [  0.849572110000000,  0.527778840000000,  0.520818790000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 68    coordinates: [  0.678206740000000,  0.150427890000000,  0.520818790000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 69    coordinates: [  0.472221160000000,  0.321793260000000,  0.520818790000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 70    coordinates: [  0.861112180000000,  0.516238770000000,  0.645847870000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 71    coordinates: [  0.655126590000000,  0.138887820000000,  0.645847870000000 ]    mass: 15.999400    reduced_to: 47  - 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