# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8f869386-9a63-4c87-99d0-aa82729a80bc/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 Mg2GeO4 / Pnma (62) / materials id 3051](https://mdr.nims.go.jp/datasets/404dfafe-e953-411d-a895-56e78992d684)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    10.314698630000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.036574770000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.926789540000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.835035570000000,  0.479190190000000,  0.234211570000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.664964430000000,  0.520809810000000,  0.734211570000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.164964430000000,  0.979190190000000,  0.765788430000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.335035570000000,  0.020809810000000,  0.265788430000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.164964430000000,  0.520809810000000,  0.765788430000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.335035570000000,  0.479190190000000,  0.265788430000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.835035570000000,  0.020809810000000,  0.234211570000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.664964430000000,  0.979190190000000,  0.734211570000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.439739080000000,  0.750000000000000,  0.729350060000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.060260920000000,  0.250000000000000,  0.229350060000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.560260920000000,  0.250000000000000,  0.270649940000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.939739080000000,  0.750000000000000,  0.770649940000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.592150920000000,  0.750000000000000,  0.210329340000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.907849080000000,  0.250000000000000,  0.710329340000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.407849080000000,  0.250000000000000,  0.789670660000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.092150920000000,  0.750000000000000,  0.289670660000000 ]    mass: 15.999400  - symbol: Mg # 17    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: Mg # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000  - symbol: Mg # 20    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000  - symbol: Mg # 21    coordinates: [  0.275667510000000,  0.750000000000000,  0.493371840000000 ]    mass: 24.305000  - symbol: Mg # 22    coordinates: [  0.224332490000000,  0.250000000000000,  0.993371840000000 ]    mass: 24.305000  - symbol: Mg # 23    coordinates: [  0.724332490000000,  0.250000000000000,  0.506628160000000 ]    mass: 24.305000  - symbol: Mg # 24    coordinates: [  0.775667510000000,  0.750000000000000,  0.006628160000000 ]    mass: 24.305000  - symbol: Ge # 25    coordinates: [  0.594701190000000,  0.750000000000000,  0.563453350000000 ]    mass: 72.640000  - symbol: Ge # 26    coordinates: [  0.905298810000000,  0.250000000000000,  0.063453350000000 ]    mass: 72.640000  - symbol: Ge # 27    coordinates: [  0.405298810000000,  0.250000000000000,  0.436546650000000 ]    mass: 72.640000  - symbol: Ge # 28    coordinates: [  0.094701190000000,  0.750000000000000,  0.936546650000000 ]    mass: 72.640000  reciprocal_lattice: # without 2pi  - [     0.096949027390052,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.165656856429528,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.202971933727049 ] # c*unit_cell:  lattice:  - [    10.314698630000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     6.036574770000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.926789540000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.835035570000000,  0.479190190000000,  0.234211570000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.664964430000000,  0.520809810000000,  0.734211570000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.164964430000000,  0.979190190000000,  0.765788430000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.335035570000000,  0.020809810000000,  0.265788430000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.164964430000000,  0.520809810000000,  0.765788430000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.335035570000000,  0.479190190000000,  0.265788430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.835035570000000,  0.020809810000000,  0.234211570000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.664964430000000,  0.979190190000000,  0.734211570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.439739080000000,  0.750000000000000,  0.729350060000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.060260920000000,  0.250000000000000,  0.229350060000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.560260920000000,  0.250000000000000,  0.270649940000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.939739080000000,  0.750000000000000,  0.770649940000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.592150920000000,  0.750000000000000,  0.210329340000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.907849080000000,  0.250000000000000,  0.710329340000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.407849080000000,  0.250000000000000,  0.789670660000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.092150920000000,  0.750000000000000,  0.289670660000000 ]    mass: 15.999400    reduced_to: 16  - symbol: Mg # 17    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 17  - symbol: Mg # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 18  - symbol: Mg # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 19  - symbol: Mg # 20    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 20  - symbol: Mg # 21    coordinates: [  0.275667510000000,  0.750000000000000,  0.493371840000000 ]    mass: 24.305000    reduced_to: 21  - symbol: Mg # 22    coordinates: [  0.224332490000000,  0.250000000000000,  0.993371840000000 ]    mass: 24.305000    reduced_to: 22  - symbol: Mg # 23    coordinates: [  0.724332490000000,  0.250000000000000,  0.506628160000000 ]    mass: 24.305000    reduced_to: 23  - symbol: Mg # 24    coordinates: [  0.775667510000000,  0.750000000000000,  0.006628160000000 ]    mass: 24.305000    reduced_to: 24  - symbol: Ge # 25    coordinates: [  0.594701190000000,  0.750000000000000,  0.563453350000000 ]    mass: 72.640000    reduced_to: 25  - symbol: Ge # 26    coordinates: [  0.905298810000000,  0.250000000000000,  0.063453350000000 ]    mass: 72.640000    reduced_to: 26  - symbol: Ge # 27    coordinates: [  0.405298810000000,  0.250000000000000,  0.436546650000000 ]    mass: 72.640000    reduced_to: 27  - symbol: Ge # 28    coordinates: [  0.094701190000000,  0.750000000000000,  0.936546650000000 ]    mass: 72.640000    reduced_to: 28supercell:  lattice:  - [    10.314698630000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.073149539999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.853579079999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.835035570000000,  0.239595095000000,  0.117105785000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.835035570000000,  0.739595095000000,  0.117105785000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.835035570000000,  0.239595095000000,  0.617105785000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.835035570000000,  0.739595095000000,  0.617105785000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.664964430000000,  0.260404905000000,  0.367105785000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.664964430000000,  0.760404905000000,  0.367105785000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.664964430000000,  0.260404905000000,  0.867105785000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.664964430000000,  0.760404905000000,  0.867105785000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.164964430000000,  0.489595095000000,  0.382894215000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.164964430000000,  0.989595095000000,  0.382894215000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.164964430000000,  0.489595095000000,  0.882894215000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.164964430000000,  0.989595095000000,  0.882894215000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.335035570000000,  0.010404905000000,  0.132894215000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.335035570000000,  0.510404905000000,  0.132894215000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.335035570000000,  0.010404905000000,  0.632894215000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.335035570000000,  0.510404905000000,  0.632894215000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.164964430000000,  0.260404905000000,  0.382894215000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.164964430000000,  0.760404905000000,  0.382894215000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.164964430000000,  0.260404905000000,  0.882894215000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.164964430000000,  0.760404905000000,  0.882894215000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.335035570000000,  0.239595095000000,  0.132894215000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.335035570000000,  0.739595095000000,  0.132894215000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.335035570000000,  0.239595095000000,  0.632894215000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.335035570000000,  0.739595095000000,  0.632894215000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.835035570000000,  0.010404905000000,  0.117105785000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.835035570000000,  0.510404905000000,  0.117105785000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.835035570000000,  0.010404905000000,  0.617105785000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.835035570000000,  0.510404905000000,  0.617105785000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.664964430000000,  0.489595095000000,  0.367105785000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.664964430000000,  0.989595095000000,  0.367105785000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.664964430000000,  0.489595095000000,  0.867105785000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 32    coordinates: [  0.664964430000000,  0.989595095000000,  0.867105785000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 33    coordinates: [  0.439739080000000,  0.375000000000000,  0.364675030000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.439739080000000,  0.875000000000000,  0.364675030000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.439739080000000,  0.375000000000000,  0.864675030000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.439739080000000,  0.875000000000000,  0.864675030000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.060260920000000,  0.125000000000000,  0.114675030000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.060260920000000,  0.625000000000000,  0.114675030000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.060260920000000,  0.125000000000000,  0.614675030000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.060260920000000,  0.625000000000000,  0.614675030000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.560260920000000,  0.125000000000000,  0.135324970000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.560260920000000,  0.625000000000000,  0.135324970000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.560260920000000,  0.125000000000000,  0.635324970000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.560260920000000,  0.625000000000000,  0.635324970000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.939739080000000,  0.375000000000000,  0.385324970000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.939739080000000,  0.875000000000000,  0.385324970000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.939739080000000,  0.375000000000000,  0.885324970000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 48    coordinates: [  0.939739080000000,  0.875000000000000,  0.885324970000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.592150920000000,  0.375000000000000,  0.105164670000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.592150920000000,  0.875000000000000,  0.105164670000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.592150920000000,  0.375000000000000,  0.605164670000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.592150920000000,  0.875000000000000,  0.605164670000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.907849080000000,  0.125000000000000,  0.355164670000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.907849080000000,  0.625000000000000,  0.355164670000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.907849080000000,  0.125000000000000,  0.855164670000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 56    coordinates: [  0.907849080000000,  0.625000000000000,  0.855164670000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 57    coordinates: [  0.407849080000000,  0.125000000000000,  0.394835330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.407849080000000,  0.625000000000000,  0.394835330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.407849080000000,  0.125000000000000,  0.894835330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.407849080000000,  0.625000000000000,  0.894835330000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.092150920000000,  0.375000000000000,  0.144835330000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.092150920000000,  0.875000000000000,  0.144835330000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.092150920000000,  0.375000000000000,  0.644835330000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.092150920000000,  0.875000000000000,  0.644835330000000 ]    mass: 15.999400    reduced_to: 61  - symbol: Mg # 65    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 65  - symbol: Mg # 66    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 65  - symbol: Mg # 67    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 65  - symbol: Mg # 68    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 65  - symbol: Mg # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 24.305000    reduced_to: 69  - symbol: Mg # 70    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 24.305000    reduced_to: 69  - symbol: Mg # 71    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 24.305000    reduced_to: 69  - symbol: Mg # 72    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 24.305000    reduced_to: 69  - symbol: Mg # 73    coordinates: [  0.500000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 74    coordinates: [  0.500000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 75    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 76    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 24.305000    reduced_to: 73  - symbol: Mg # 77    coordinates: [  0.000000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 24.305000    reduced_to: 77  - symbol: Mg # 78    coordinates: [  0.000000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 24.305000    reduced_to: 77  - symbol: Mg # 79    coordinates: [  0.000000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 24.305000    reduced_to: 77  - symbol: Mg # 80    coordinates: [  0.000000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 24.305000    reduced_to: 77  - symbol: Mg # 81    coordinates: [  0.275667510000000,  0.375000000000000,  0.246685920000000 ]    mass: 24.305000    reduced_to: 81  - symbol: Mg # 82    coordinates: [  0.275667510000000,  0.875000000000000,  0.246685920000000 ]    mass: 24.305000    reduced_to: 81  - symbol: Mg # 83    coordinates: [  0.275667510000000,  0.375000000000000,  0.746685920000000 ]    mass: 24.305000    reduced_to: 81  - symbol: Mg # 84    coordinates: [  0.275667510000000,  0.875000000000000,  0.746685920000000 ]    mass: 24.305000    reduced_to: 81  - symbol: Mg # 85    coordinates: [  0.224332490000000,  0.125000000000000,  0.496685920000000 ]    mass: 24.305000    reduced_to: 85  - symbol: Mg # 86    coordinates: [  0.224332490000000,  0.625000000000000,  0.496685920000000 ]    mass: 24.305000    reduced_to: 85  - symbol: Mg # 87    coordinates: [  0.224332490000000,  0.125000000000000,  0.996685920000000 ]    mass: 24.305000    reduced_to: 85  - symbol: Mg # 88    coordinates: [  0.224332490000000,  0.625000000000000,  0.996685920000000 ]    mass: 24.305000    reduced_to: 85  - symbol: Mg # 89    coordinates: [  0.724332490000000,  0.125000000000000,  0.253314080000000 ]    mass: 24.305000    reduced_to: 89  - symbol: Mg # 90    coordinates: [  0.724332490000000,  0.625000000000000,  0.253314080000000 ]    mass: 24.305000    reduced_to: 89  - symbol: Mg # 91    coordinates: [  0.724332490000000,  0.125000000000000,  0.753314080000000 ]    mass: 24.305000    reduced_to: 89  - symbol: Mg # 92    coordinates: [  0.724332490000000,  0.625000000000000,  0.753314080000000 ]    mass: 24.305000    reduced_to: 89  - symbol: Mg # 93    coordinates: [  0.775667510000000,  0.375000000000000,  0.003314080000000 ]    mass: 24.305000    reduced_to: 93  - symbol: Mg # 94    coordinates: [  0.775667510000000,  0.875000000000000,  0.003314080000000 ]    mass: 24.305000    reduced_to: 93  - symbol: Mg # 95    coordinates: [  0.775667510000000,  0.375000000000000,  0.503314080000000 ]    mass: 24.305000    reduced_to: 93  - symbol: Mg # 96    coordinates: [  0.775667510000000,  0.875000000000000,  0.503314080000000 ]    mass: 24.305000    reduced_to: 93  - symbol: Ge # 97    coordinates: [  0.594701190000000,  0.375000000000000,  0.281726675000000 ]    mass: 72.640000    reduced_to: 97  - symbol: Ge # 98    coordinates: [  0.594701190000000,  0.875000000000000,  0.281726675000000 ]    mass: 72.640000    reduced_to: 97  - symbol: Ge # 99    coordinates: [  0.594701190000000,  0.375000000000000,  0.781726675000000 ]    mass: 72.640000    reduced_to: 97  - symbol: Ge # 100    coordinates: [  0.594701190000000,  0.875000000000000,  0.781726675000000 ]    mass: 72.640000    reduced_to: 97  - symbol: Ge # 101    coordinates: [  0.905298810000000,  0.125000000000000,  0.031726675000000 ]    mass: 72.640000    reduced_to: 101  - symbol: Ge # 102    coordinates: [  0.905298810000000,  0.625000000000000,  0.031726675000000 ]    mass: 72.640000    reduced_to: 101  - symbol: Ge # 103    coordinates: [  0.905298810000000,  0.125000000000000,  0.531726675000000 ]    mass: 72.640000    reduced_to: 101  - symbol: Ge # 104    coordinates: [  0.905298810000000,  0.625000000000000,  0.531726675000000 ]    mass: 72.640000    reduced_to: 101  - symbol: Ge # 105    coordinates: [  0.405298810000000,  0.125000000000000,  0.218273325000000 ]    mass: 72.640000    reduced_to: 105  - symbol: Ge # 106    coordinates: [  0.405298810000000,  0.625000000000000,  0.218273325000000 ]    mass: 72.640000    reduced_to: 105  - symbol: Ge # 107    coordinates: [  0.405298810000000,  0.125000000000000,  0.718273325000000 ]    mass: 72.640000    reduced_to: 105  - symbol: Ge # 108    coordinates: [  0.405298810000000,  0.625000000000000,  0.718273325000000 ]    mass: 72.640000    reduced_to: 105  - symbol: Ge # 109    coordinates: [  0.094701190000000,  0.375000000000000,  0.468273325000000 ]    mass: 72.640000    reduced_to: 109  - symbol: Ge # 110    coordinates: [  0.094701190000000,  0.875000000000000,  0.468273325000000 ]    mass: 72.640000    reduced_to: 109  - symbol: Ge # 111    coordinates: [  0.094701190000000,  0.375000000000000,  0.968273325000000 ]    mass: 72.640000    reduced_to: 109  - symbol: Ge # 112    coordinates: [  0.094701190000000,  0.875000000000000,  0.968273325000000 ]    mass: 72.640000    reduced_to: 109born_effective_charge:- # 1 (O)  - [ -1.638326180000000,  0.197051420000000,  0.104089090000000 ]  - [  0.231012510000000, -1.985627400000000, -0.092555310000000 ]  - [  0.059723830000000,  0.032083370000000, -1.652112890000000 ]- # 2 (O)  - [ -1.638326180000000,  0.197051420000000, -0.104089090000000 ]  - [  0.231012510000000, -1.985627400000000,  0.092555310000000 ]  - [ -0.059723830000000, -0.032083370000000, -1.652112890000000 ]- # 3 (O)  - [ -1.638326180000000, -0.197051420000000,  0.104089090000000 ]  - [ -0.231012510000000, -1.985627400000000,  0.092555310000000 ]  - [  0.059723830000000, -0.032083370000000, -1.652112890000000 ]- # 4 (O)  - [ -1.638326180000000, -0.197051420000000, -0.104089090000000 ]  - [ -0.231012510000000, -1.985627400000000, -0.092555310000000 ]  - [ -0.059723830000000,  0.032083370000000, -1.652112890000000 ]- # 5 (O)  - [ -1.638326180000000,  0.197051420000000,  0.104089090000000 ]  - [  0.231012510000000, -1.985627400000000, -0.092555310000000 ]  - [  0.059723830000000,  0.032083370000000, -1.652112890000000 ]- # 6 (O)  - [ -1.638326180000000,  0.197051420000000, -0.104089090000000 ]  - [  0.231012510000000, -1.985627400000000,  0.092555310000000 ]  - [ -0.059723830000000, -0.032083370000000, -1.652112890000000 ]- # 7 (O)  - [ -1.638326180000000, -0.197051420000000,  0.104089090000000 ]  - [ -0.231012510000000, -1.985627400000000,  0.092555310000000 ]  - [  0.059723830000000, -0.032083370000000, -1.652112890000000 ]- # 8 (O)  - [ -1.638326180000000, -0.197051420000000, -0.104089090000000 ]  - [ -0.231012510000000, -1.985627400000000, -0.092555310000000 ]  - [ -0.059723830000000,  0.032083370000000, -1.652112890000000 ]- # 9 (O)  - [ -2.021558800000000,  0.000000000000000,  0.127912120000000 ]  - [  0.000000000000000, -1.576745760000000,  0.000000000000000 ]  - [ -0.001211630000000,  0.000000000000000, -1.693433470000000 ]- # 10 (O)  - [ -2.021558800000000,  0.000000000000000, -0.127912120000000 ]  - [  0.000000000000000, -1.576745760000000,  0.000000000000000 ]  - [  0.001211630000000,  0.000000000000000, -1.693433470000000 ]- # 11 (O)  - [ -2.021558800000000,  0.000000000000000,  0.127912120000000 ]  - [  0.000000000000000, -1.576745760000000,  0.000000000000000 ]  - [ -0.001211630000000,  0.000000000000000, -1.693433470000000 ]- # 12 (O)  - [ -2.021558800000000,  0.000000000000000, -0.127912120000000 ]  - [  0.000000000000000, -1.576745760000000,  0.000000000000000 ]  - [  0.001211630000000,  0.000000000000000, -1.693433470000000 ]- # 13 (O)  - [ -1.448111530000000,  0.000000000000000, -0.002624350000000 ]  - [  0.000000000000000, -1.537453980000000,  0.000000000000000 ]  - [ -0.008819160000000,  0.000000000000000, -2.409777810000000 ]- # 14 (O)  - [ -1.448111530000000,  0.000000000000000,  0.002624350000000 ]  - [  0.000000000000000, -1.537453980000000,  0.000000000000000 ]  - [  0.008819160000000,  0.000000000000000, -2.409777810000000 ]- # 15 (O)  - [ -1.448111530000000,  0.000000000000000, -0.002624350000000 ]  - [  0.000000000000000, -1.537453980000000,  0.000000000000000 ]  - [ -0.008819160000000,  0.000000000000000, -2.409777810000000 ]- # 16 (O)  - [ -1.448111530000000,  0.000000000000000,  0.002624350000000 ]  - [  0.000000000000000, -1.537453980000000,  0.000000000000000 ]  - [  0.008819160000000,  0.000000000000000, -2.409777810000000 ]- # 17 (Mg)  - [  1.688764180000000, -0.332046270000000, -0.118348280000000 ]  - [ -0.278004740000000,  2.006311940000000,  0.204959400000000 ]  - [  0.065191120000000, -0.121775850000000,  2.316650850000000 ]- # 18 (Mg)  - [  1.688764180000000, -0.332046270000000,  0.118348280000000 ]  - [ -0.278004740000000,  2.006311940000000, -0.204959400000000 ]  - [ -0.065191120000000,  0.121775850000000,  2.316650850000000 ]- # 19 (Mg)  - [  1.688764180000000,  0.332046270000000, -0.118348280000000 ]  - [  0.278004740000000,  2.006311940000000, -0.204959400000000 ]  - [  0.065191120000000,  0.121775850000000,  2.316650850000000 ]- # 20 (Mg)  - [  1.688764180000000,  0.332046270000000,  0.118348280000000 ]  - [  0.278004740000000,  2.006311940000000,  0.204959400000000 ]  - [ -0.065191120000000, -0.121775850000000,  2.316650850000000 ]- # 21 (Mg)  - [  2.365701610000000,  0.000000000000000, -0.110550820000000 ]  - [  0.000000000000000,  2.082490140000000,  0.000000000000000 ]  - [  0.073124730000000,  0.000000000000000,  1.970720160000000 ]- # 22 (Mg)  - [  2.365701610000000,  0.000000000000000,  0.110550820000000 ]  - [  0.000000000000000,  2.082490140000000,  0.000000000000000 ]  - [ -0.073124730000000,  0.000000000000000,  1.970720160000000 ]- # 23 (Mg)  - [  2.365701610000000,  0.000000000000000, -0.110550820000000 ]  - [  0.000000000000000,  2.082490140000000,  0.000000000000000 ]  - [  0.073124730000000,  0.000000000000000,  1.970720160000000 ]- # 24 (Mg)  - [  2.365701610000000,  0.000000000000000,  0.110550820000000 ]  - [  0.000000000000000,  2.082490140000000,  0.000000000000000 ]  - [ -0.073124730000000,  0.000000000000000,  1.970720160000000 ]- # 25 (Ge)  - [  2.691856900000000,  0.000000000000000, -0.001953220000000 ]  - [  0.000000000000000,  2.996652460000000,  0.000000000000000 ]  - [ -0.021231500000000,  0.000000000000000,  3.120066040000000 ]- # 26 (Ge)  - [  2.691856900000000,  0.000000000000000,  0.001953220000000 ]  - [  0.000000000000000,  2.996652460000000,  0.000000000000000 ]  - [  0.021231500000000,  0.000000000000000,  3.120066040000000 ]- # 27 (Ge)  - [  2.691856900000000,  0.000000000000000, -0.001953220000000 ]  - [  0.000000000000000,  2.996652460000000,  0.000000000000000 ]  - [ -0.021231500000000,  0.000000000000000,  3.120066040000000 ]- # 28 (Ge)  - [  2.691856900000000,  0.000000000000000,  0.001953220000000 ]  - [  0.000000000000000,  2.996652460000000,  0.000000000000000 ]  - [  0.021231500000000,  0.000000000000000,  3.120066040000000 ]dielectric_constant:  - [  3.112946910000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.192897710000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.400032050000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1074566700000000,  0.0766501000000000,  0.0208214300000000 ]  - [  -0.0006299400000000, -0.0001542100000000,  0.0003608000000000 ]  - [  -0.0014531300000000,  0.0007225900000000,  0.0002415400000000 ]  - [  -0.0004562200000000, -0.0000533000000000,  0.0002471900000000 ]  - [   0.0030687100000000, -0.0017471900000000, -0.0057730200000000 ]  - [  -0.0000110800000000,  0.0000054900000000,  0.0001811600000000 ]  - [   0.0030731000000000, -0.0019300200000000,  0.0068242300000000 ]  - [  -0.0000139400000000, -0.0000563600000000,  0.0002885000000000 ]  - [   0.0006471600000000,  0.0007069500000000,  0.0001850300000000 ]  - [   0.0006470100000000, -0.0006601800000000,  0.0005730200000000 ]  - [   0.0009571800000000,  0.0010844400000000, -0.0010210700000000 ]  - [   0.0009565500000000, -0.0013759300000000, -0.0015769600000000 ]  - [   0.0036433000000000,  0.0007095100000000,  0.0002465800000000 ]  - [   0.0014097800000000, -0.0001931800000000, -0.0002027900000000 ]  - [   0.0005100300000000,  0.0002967300000000, -0.0003049300000000 ]  - [   0.0004982900000000, -0.0002153600000000, -0.0003038400000000 ]  - [   0.0013161700000000,  0.0004583400000000,  0.0011268300000000 ]  - [   0.0003653700000000, -0.0003994700000000, -0.0002061200000000 ]  - [   0.0014475700000000,  0.0007796100000000, -0.0018414400000000 ]  - [   0.0003918700000000, -0.0005512700000000, -0.0004320400000000 ]  - [   0.0033771600000000, -0.0001272000000000,  0.0000739100000000 ]  - [   0.0003606100000000, -0.0002159900000000, -0.0001695500000000 ]  - [   0.0008256400000000,  0.0000783000000000, -0.0003466500000000 ]  - [   0.0002081500000000, -0.0001454100000000, -0.0002632000000000 ]  - [  -0.0085941900000000,  0.0019528300000000,  0.0004536100000000 ]  - [  -0.0020013200000000, -0.0009836300000000,  0.0005014800000000 ]  - [  -0.0008554900000000, -0.0004607500000000,  0.0001804600000000 ]  - [  -0.0009106700000000, -0.0000533000000000,  0.0001765700000000 ]  - [  -0.0002233600000000, -0.0014446600000000, -0.0005105400000000 ]  - [  -0.0001446200000000,  0.0011634800000000, -0.0003342000000000 ]  - [  -0.0001481900000000, -0.0014259800000000,  0.0008202400000000 ]  - [  -0.0002222400000000,  0.0006901400000000,  0.0007197800000000 ]  - [   0.0019542000000000, -0.0004793300000000, -0.0007131200000000 ]  - [   0.0004153300000000,  0.0001257400000000, -0.0000378000000000 ]  - [   0.0018960300000000, -0.0005966200000000,  0.0003018500000000 ]  - [   0.0004068200000000,  0.0000674600000000,  0.0000049800000000 ]  - [   0.0202130400000000, -0.0191430000000000, -0.0013711700000000 ]  - [  -0.0006486700000000,  0.0002753500000000, -0.0000599800000000 ]  - [  -0.0001047200000000,  0.0000362200000000, -0.0000728400000000 ]  - [  -0.0002544500000000,  0.0000746500000000, -0.0001194500000000 ]  - [   0.0087623600000000,  0.0035245700000000, -0.0015518000000000 ]  - [   0.0004869500000000, -0.0007642600000000, -0.0000420800000000 ]  - [   0.0005037000000000,  0.0006848800000000,  0.0000665700000000 ]  - [   0.0002545600000000, -0.0003563100000000, -0.0000102800000000 ]  - [  -0.0010793800000000,  0.0010072700000000,  0.0014147700000000 ]  - [  -0.0003600900000000, -0.0003778100000000,  0.0000771500000000 ]  - [  -0.0006517200000000,  0.0029725600000000, -0.0037227200000000 ]  - [  -0.0004442600000000, -0.0004547700000000,  0.0000691600000000 ]  - [   0.0070975800000000, -0.0058611500000000, -0.0001204700000000 ]  - [  -0.0002882800000000,  0.0003773400000000,  0.0009178800000000 ]  - [   0.0001616000000000, -0.0008554900000000,  0.0012538400000000 ]  - [  -0.0002346300000000,  0.0000942600000000,  0.0008070200000000 ]  - [  -0.0026356500000000, -0.0012701200000000,  0.0049594400000000 ]  - [  -0.0003091600000000, -0.0000250000000000,  0.0008050900000000 ]  - [  -0.0036425200000000, -0.0013072800000000, -0.0021722300000000 ]  - [  -0.0003809400000000,  0.0000984500000000,  0.0009767500000000 ]  - [   0.0016718300000000,  0.0003153100000000, -0.0014659000000000 ]  - [   0.0006661000000000, -0.0002455200000000, -0.0008635900000000 ]  - [   0.0016149100000000,  0.0003570100000000, -0.0004278600000000 ]  - [   0.0007143300000000, -0.0002514100000000, -0.0007604000000000 ]  - [   0.0057539300000000,  0.0051425400000000, -0.0010388300000000 ]  - [  -0.0002437700000000, -0.0016583600000000, -0.0007889000000000 ]  - [   0.0000010500000000,  0.0002204100000000, -0.0011083800000000 ]  - [  -0.0001528400000000, -0.0002705000000000, -0.0009381900000000 ]  - [  -0.0010212500000000, -0.0015229400000000, -0.0009613200000000 ]  - [  -0.0013326000000000,  0.0018658600000000, -0.0008566700000000 ]  - [  -0.0003058300000000, -0.0004886600000000,  0.0002967400000000 ]  - [  -0.0007112100000000,  0.0008746100000000,  0.0003978000000000 ]  - [   0.0027105100000000,  0.0039909500000000, -0.0028448600000000 ]  - [   0.0012955100000000, -0.0018086100000000, -0.0007862600000000 ]  - [  -0.0002032100000000,  0.0008165400000000,  0.0008170200000000 ]  - [   0.0002666200000000, -0.0009553700000000,  0.0007015200000000 ]  - [  -0.0050744100000000, -0.0002730600000000, -0.0018135400000000 ]  - [  -0.0002558300000000,  0.0001513400000000, -0.0001550400000000 ]  - [  -0.0015840600000000, -0.0005694500000000,  0.0010028700000000 ]  - [  -0.0001712100000000,  0.0001191500000000,  0.0000883700000000 ]  - [   0.0139703500000000, -0.0025366300000000, -0.0002865000000000 ]  - [   0.0004314200000000,  0.0003373000000000, -0.0001820800000000 ]  - [   0.0003335900000000, -0.0000354000000000,  0.0014588700000000 ]  - [   0.0002062300000000,  0.0002506300000000,  0.0001777800000000 ]  - [  -0.0033095000000000, -0.0002288600000000, -0.0009901900000000 ]  - [  -0.0011044200000000,  0.0003425800000000, -0.0001966600000000 ]  - [  -0.0018257500000000, -0.0002527500000000,  0.0002681300000000 ]  - [  -0.0008499400000000,  0.0002425100000000,  0.0002660400000000 ]  - [  -0.0012903800000000,  0.0001333000000000, -0.0005263000000000 ]  - [  -0.0005307100000000, -0.0000817700000000, -0.0002842100000000 ]  - [  -0.0058818300000000, -0.0002327300000000,  0.0027956000000000 ]  - [  -0.0007486500000000, -0.0002801000000000, -0.0003944900000000 ]  - [   0.0057743700000000, -0.0051030300000000,  0.0053377000000000 ]  - [   0.0007766300000000,  0.0007797000000000, -0.0000603400000000 ]  - 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