# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/66a3b3fa-0691-44e6-a72f-9c3f2a63502a/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 Si2Hg6O7 / C2/m (12) / materials id 28712](https://mdr.nims.go.jp/datasets/a3e74cea-f811-4bb7-9a91-e2c417b6a306)

## 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: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     5.920535900000000,    -3.796336110000000,     0.078425285000000 ] # a  - [     5.920535900000000,     3.796336110000000,     0.078425285000000 ] # b  - [    -2.249759110000000,     0.000000000000000,     5.589487850000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.486129440000000,  0.127672060000000,  0.738572450000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.872327940000000,  0.513870560000000,  0.261427550000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.513870560000000,  0.872327940000000,  0.261427550000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.127672060000000,  0.486129440000000,  0.738572450000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.692972350000000,  0.692972350000000,  0.871552230000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.307027650000000,  0.307027650000000,  0.128447770000000 ]    mass: 15.999400  - symbol: Si # 8    coordinates: [  0.352902290000000,  0.352902290000000,  0.899142430000000 ]    mass: 28.085500  - symbol: Si # 9    coordinates: [  0.647097710000000,  0.647097710000000,  0.100857570000000 ]    mass: 28.085500  - symbol: Hg # 10    coordinates: [  0.353372700000000,  0.878411960000000,  0.583555880000000 ]    mass: 200.590000  - symbol: Hg # 11    coordinates: [  0.121588040000000,  0.646627300000000,  0.416444120000000 ]    mass: 200.590000  - symbol: Hg # 12    coordinates: [  0.646627300000000,  0.121588040000000,  0.416444120000000 ]    mass: 200.590000  - symbol: Hg # 13    coordinates: [  0.878411960000000,  0.353372700000000,  0.583555880000000 ]    mass: 200.590000  - symbol: Hg # 14    coordinates: [  0.885294960000000,  0.885294960000000,  0.952251130000000 ]    mass: 200.590000  - symbol: Hg # 15    coordinates: [  0.114705040000000,  0.114705040000000,  0.047748870000000 ]    mass: 200.590000  reciprocal_lattice: # without 2pi  - [     0.084003937601407,    -0.131705935805563,     0.033811438358281 ] # a*  - [     0.084003937601407,     0.131705935805563,     0.033811438358281 ] # b*  - [    -0.002357293878906,    -0.000000000000000,     0.177958461189066 ] # c*unit_cell:  lattice:  - [    11.841071800000000,     0.000000000000000,     0.156850570000000 ] # a  - [     0.000000000000000,     7.592672220000000,     0.000000000000000 ] # b  - [    -2.249759110000000,     0.000000000000000,     5.589487850000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.806900750000000,  0.320771310000000,  0.738572450000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.193099250000000,  0.320771310000000,  0.261427550000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.193099250000000,  0.679228690000000,  0.261427550000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.806900750000000,  0.679228690000000,  0.738572450000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.192972350000000,  0.500000000000000,  0.871552230000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.807027650000000,  0.500000000000000,  0.128447770000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.306900750000000,  0.820771310000000,  0.738572450000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 10    coordinates: [  0.693099250000000,  0.820771310000000,  0.261427550000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 11    coordinates: [  0.693099250000000,  0.179228690000000,  0.261427550000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 12    coordinates: [  0.306900750000000,  0.179228690000000,  0.738572450000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 13    coordinates: [  0.692972350000000,  0.000000000000000,  0.871552230000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 14    coordinates: [  0.307027650000000,  0.000000000000000,  0.128447770000000 ]    mass: 15.999400    reduced_to: 7  - symbol: Si # 15    coordinates: [  0.852902290000000,  0.500000000000000,  0.899142430000000 ]    mass: 28.085500    reduced_to: 15  - symbol: Si # 16    coordinates: [  0.147097710000000,  0.500000000000000,  0.100857570000000 ]    mass: 28.085500    reduced_to: 16  - symbol: Si # 17    coordinates: [  0.352902290000000,  0.000000000000000,  0.899142430000000 ]    mass: 28.085500    reduced_to: 15  - symbol: Si # 18    coordinates: [  0.647097710000000,  0.000000000000000,  0.100857570000000 ]    mass: 28.085500    reduced_to: 16  - symbol: Hg # 19    coordinates: [  0.115892330000000,  0.762519630000000,  0.583555880000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Hg # 20    coordinates: [  0.884107670000000,  0.762519630000000,  0.416444120000000 ]    mass: 200.590000    reduced_to: 20  - symbol: Hg # 21    coordinates: [  0.884107670000000,  0.237480370000000,  0.416444120000000 ]    mass: 200.590000    reduced_to: 21  - symbol: Hg # 22    coordinates: [  0.115892330000000,  0.237480370000000,  0.583555880000000 ]    mass: 200.590000    reduced_to: 22  - symbol: Hg # 23    coordinates: [  0.385294960000000,  0.500000000000000,  0.952251130000000 ]    mass: 200.590000    reduced_to: 23  - symbol: Hg # 24    coordinates: [  0.614705040000000,  0.500000000000000,  0.047748870000000 ]    mass: 200.590000    reduced_to: 24  - symbol: Hg # 25    coordinates: [  0.615892330000000,  0.262519630000000,  0.583555880000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Hg # 26    coordinates: [  0.384107670000000,  0.262519630000000,  0.416444120000000 ]    mass: 200.590000    reduced_to: 20  - symbol: Hg # 27    coordinates: [  0.384107670000000,  0.737480370000000,  0.416444120000000 ]    mass: 200.590000    reduced_to: 21  - symbol: Hg # 28    coordinates: [  0.615892330000000,  0.737480370000000,  0.583555880000000 ]    mass: 200.590000    reduced_to: 22  - symbol: Hg # 29    coordinates: [  0.885294960000000,  0.000000000000000,  0.952251130000000 ]    mass: 200.590000    reduced_to: 23  - symbol: Hg # 30    coordinates: [  0.114705040000000,  0.000000000000000,  0.047748870000000 ]    mass: 200.590000    reduced_to: 24supercell:  lattice:  - [    11.841071800000000,     0.000000000000000,     0.156850570000000 ] # a  - [     0.000000000000000,    15.185344440000000,     0.000000000000000 ] # b  - [    -4.499518220000000,     0.000000000000000,    11.178975700000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.000000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.000000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.000000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.806900750000000,  0.160385655000000,  0.369286225000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.806900750000000,  0.660385655000000,  0.369286225000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.806900750000000,  0.160385655000000,  0.869286225000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.806900750000000,  0.660385655000000,  0.869286225000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.193099250000000,  0.160385655000000,  0.130713775000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.193099250000000,  0.660385655000000,  0.130713775000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.193099250000000,  0.160385655000000,  0.630713775000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.193099250000000,  0.660385655000000,  0.630713775000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.193099250000000,  0.339614345000000,  0.130713775000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.193099250000000,  0.839614345000000,  0.130713775000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.193099250000000,  0.339614345000000,  0.630713775000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.193099250000000,  0.839614345000000,  0.630713775000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.806900750000000,  0.339614345000000,  0.369286225000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.806900750000000,  0.839614345000000,  0.369286225000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.806900750000000,  0.339614345000000,  0.869286225000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 20    coordinates: [  0.806900750000000,  0.839614345000000,  0.869286225000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 21    coordinates: [  0.192972350000000,  0.250000000000000,  0.435776115000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.192972350000000,  0.750000000000000,  0.435776115000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.192972350000000,  0.250000000000000,  0.935776115000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 24    coordinates: [  0.192972350000000,  0.750000000000000,  0.935776115000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.807027650000000,  0.250000000000000,  0.064223885000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.807027650000000,  0.750000000000000,  0.064223885000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.807027650000000,  0.250000000000000,  0.564223885000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.807027650000000,  0.750000000000000,  0.564223885000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 30    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 31    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 32    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 33    coordinates: [  0.306900750000000,  0.410385655000000,  0.369286225000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 34    coordinates: [  0.306900750000000,  0.910385655000000,  0.369286225000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 35    coordinates: [  0.306900750000000,  0.410385655000000,  0.869286225000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 36    coordinates: [  0.306900750000000,  0.910385655000000,  0.869286225000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 37    coordinates: [  0.693099250000000,  0.410385655000000,  0.130713775000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 38    coordinates: [  0.693099250000000,  0.910385655000000,  0.130713775000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 39    coordinates: [  0.693099250000000,  0.410385655000000,  0.630713775000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 40    coordinates: [  0.693099250000000,  0.910385655000000,  0.630713775000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 41    coordinates: [  0.693099250000000,  0.089614345000000,  0.130713775000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 42    coordinates: [  0.693099250000000,  0.589614345000000,  0.130713775000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 43    coordinates: [  0.693099250000000,  0.089614345000000,  0.630713775000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 44    coordinates: [  0.693099250000000,  0.589614345000000,  0.630713775000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 45    coordinates: [  0.306900750000000,  0.089614345000000,  0.369286225000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 46    coordinates: [  0.306900750000000,  0.589614345000000,  0.369286225000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 47    coordinates: [  0.306900750000000,  0.089614345000000,  0.869286225000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 48    coordinates: [  0.306900750000000,  0.589614345000000,  0.869286225000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 49    coordinates: [  0.692972350000000,  0.000000000000000,  0.435776115000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 50    coordinates: [  0.692972350000000,  0.500000000000000,  0.435776115000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 51    coordinates: [  0.692972350000000,  0.000000000000000,  0.935776115000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 52    coordinates: [  0.692972350000000,  0.500000000000000,  0.935776115000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 53    coordinates: [  0.307027650000000,  0.000000000000000,  0.064223885000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 54    coordinates: [  0.307027650000000,  0.500000000000000,  0.064223885000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 55    coordinates: [  0.307027650000000,  0.000000000000000,  0.564223885000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 56    coordinates: [  0.307027650000000,  0.500000000000000,  0.564223885000000 ]    mass: 15.999400    reduced_to: 25  - symbol: Si # 57    coordinates: [  0.852902290000000,  0.250000000000000,  0.449571215000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 58    coordinates: [  0.852902290000000,  0.750000000000000,  0.449571215000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 59    coordinates: [  0.852902290000000,  0.250000000000000,  0.949571215000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 60    coordinates: [  0.852902290000000,  0.750000000000000,  0.949571215000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 61    coordinates: [  0.147097710000000,  0.250000000000000,  0.050428785000000 ]    mass: 28.085500    reduced_to: 61  - symbol: Si # 62    coordinates: [  0.147097710000000,  0.750000000000000,  0.050428785000000 ]    mass: 28.085500    reduced_to: 61  - symbol: Si # 63    coordinates: [  0.147097710000000,  0.250000000000000,  0.550428785000000 ]    mass: 28.085500    reduced_to: 61  - symbol: Si # 64    coordinates: [  0.147097710000000,  0.750000000000000,  0.550428785000000 ]    mass: 28.085500    reduced_to: 61  - symbol: Si # 65    coordinates: [  0.352902290000000,  0.000000000000000,  0.449571215000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 66    coordinates: [  0.352902290000000,  0.500000000000000,  0.449571215000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 67    coordinates: [  0.352902290000000,  0.000000000000000,  0.949571215000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 68    coordinates: [  0.352902290000000,  0.500000000000000,  0.949571215000000 ]    mass: 28.085500    reduced_to: 57  - symbol: Si # 69    coordinates: [  0.647097710000000,  0.000000000000000,  0.050428785000000 ]    mass: 28.085500    reduced_to: 61  - symbol: Si # 70    coordinates: [  0.647097710000000,  0.500000000000000,  0.050428785000000 ]    mass: 28.085500    reduced_to: 61  - symbol: Si # 71    coordinates: [  0.647097710000000,  0.000000000000000,  0.550428785000000 ]    mass: 28.085500    reduced_to: 61  - symbol: Si # 72    coordinates: [  0.647097710000000,  0.500000000000000,  0.550428785000000 ]    mass: 28.085500    reduced_to: 61  - symbol: Hg # 73    coordinates: [  0.115892330000000,  0.381259815000000,  0.291777940000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 74    coordinates: [  0.115892330000000,  0.881259815000000,  0.291777940000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 75    coordinates: [  0.115892330000000,  0.381259815000000,  0.791777940000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 76    coordinates: [  0.115892330000000,  0.881259815000000,  0.791777940000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 77    coordinates: [  0.884107670000000,  0.381259815000000,  0.208222060000000 ]    mass: 200.590000    reduced_to: 77  - symbol: Hg # 78    coordinates: [  0.884107670000000,  0.881259815000000,  0.208222060000000 ]    mass: 200.590000    reduced_to: 77  - symbol: Hg # 79    coordinates: [  0.884107670000000,  0.381259815000000,  0.708222060000000 ]    mass: 200.590000    reduced_to: 77  - symbol: Hg # 80    coordinates: [  0.884107670000000,  0.881259815000000,  0.708222060000000 ]    mass: 200.590000    reduced_to: 77  - symbol: Hg # 81    coordinates: [  0.884107670000000,  0.118740185000000,  0.208222060000000 ]    mass: 200.590000    reduced_to: 81  - symbol: Hg # 82    coordinates: [  0.884107670000000,  0.618740185000000,  0.208222060000000 ]    mass: 200.590000    reduced_to: 81  - symbol: Hg # 83    coordinates: [  0.884107670000000,  0.118740185000000,  0.708222060000000 ]    mass: 200.590000    reduced_to: 81  - symbol: Hg # 84    coordinates: [  0.884107670000000,  0.618740185000000,  0.708222060000000 ]    mass: 200.590000    reduced_to: 81  - symbol: Hg # 85    coordinates: [  0.115892330000000,  0.118740185000000,  0.291777940000000 ]    mass: 200.590000    reduced_to: 85  - symbol: Hg # 86    coordinates: [  0.115892330000000,  0.618740185000000,  0.291777940000000 ]    mass: 200.590000    reduced_to: 85  - symbol: Hg # 87    coordinates: [  0.115892330000000,  0.118740185000000,  0.791777940000000 ]    mass: 200.590000    reduced_to: 85  - symbol: Hg # 88    coordinates: [  0.115892330000000,  0.618740185000000,  0.791777940000000 ]    mass: 200.590000    reduced_to: 85  - symbol: Hg # 89    coordinates: [  0.385294960000000,  0.250000000000000,  0.476125565000000 ]    mass: 200.590000    reduced_to: 89  - symbol: Hg # 90    coordinates: [  0.385294960000000,  0.750000000000000,  0.476125565000000 ]    mass: 200.590000    reduced_to: 89  - symbol: Hg # 91    coordinates: [  0.385294960000000,  0.250000000000000,  0.976125565000000 ]    mass: 200.590000    reduced_to: 89  - symbol: Hg # 92    coordinates: [  0.385294960000000,  0.750000000000000,  0.976125565000000 ]    mass: 200.590000    reduced_to: 89  - symbol: Hg # 93    coordinates: [  0.614705040000000,  0.250000000000000,  0.023874435000000 ]    mass: 200.590000    reduced_to: 93  - symbol: Hg # 94    coordinates: [  0.614705040000000,  0.750000000000000,  0.023874435000000 ]    mass: 200.590000    reduced_to: 93  - symbol: Hg # 95    coordinates: [  0.614705040000000,  0.250000000000000,  0.523874435000000 ]    mass: 200.590000    reduced_to: 93  - symbol: Hg # 96    coordinates: [  0.614705040000000,  0.750000000000000,  0.523874435000000 ]    mass: 200.590000    reduced_to: 93  - symbol: Hg # 97    coordinates: [  0.615892330000000,  0.131259815000000,  0.291777940000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 98    coordinates: [  0.615892330000000,  0.631259815000000,  0.291777940000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 99    coordinates: [  0.615892330000000,  0.131259815000000,  0.791777940000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 100    coordinates: [  0.615892330000000,  0.631259815000000,  0.791777940000000 ]    mass: 200.590000    reduced_to: 73  - symbol: Hg # 101    coordinates: [  0.384107670000000,  0.131259815000000,  0.208222060000000 ]    mass: 200.590000    reduced_to: 77  - symbol: Hg # 102    coordinates: [  0.384107670000000,  0.631259815000000,  0.208222060000000 ]    mass: 200.590000    reduced_to: 77  - symbol: Hg # 103    coordinates: [  0.384107670000000,  0.131259815000000,  0.708222060000000 ]    mass: 200.590000    reduced_to: 77  - symbol: Hg # 104    coordinates: [  0.384107670000000,  0.631259815000000,  0.708222060000000 ]    mass: 200.590000    reduced_to: 77  - symbol: Hg # 105    coordinates: [  0.384107670000000,  0.368740185000000,  0.208222060000000 ]    mass: 200.590000    reduced_to: 81  - symbol: Hg # 106    coordinates: [  0.384107670000000,  0.868740185000000,  0.208222060000000 ]    mass: 200.590000    reduced_to: 81  - symbol: Hg # 107    coordinates: [  0.384107670000000,  0.368740185000000,  0.708222060000000 ]    mass: 200.590000    reduced_to: 81  - symbol: Hg # 108    coordinates: [  0.384107670000000,  0.868740185000000,  0.708222060000000 ]    mass: 200.590000    reduced_to: 81  - symbol: Hg # 109    coordinates: [  0.615892330000000,  0.368740185000000,  0.291777940000000 ]    mass: 200.590000    reduced_to: 85  - symbol: Hg # 110    coordinates: [  0.615892330000000,  0.868740185000000,  0.291777940000000 ]    mass: 200.590000    reduced_to: 85  - symbol: Hg # 111    coordinates: [  0.615892330000000,  0.368740185000000,  0.791777940000000 ]    mass: 200.590000    reduced_to: 85  - symbol: Hg # 112    coordinates: [  0.615892330000000,  0.868740185000000,  0.791777940000000 ]    mass: 200.590000    reduced_to: 85  - symbol: Hg # 113    coordinates: [  0.885294960000000,  0.000000000000000,  0.476125565000000 ]    mass: 200.590000    reduced_to: 89  - symbol: Hg # 114    coordinates: [  0.885294960000000,  0.500000000000000,  0.476125565000000 ]    mass: 200.590000    reduced_to: 89  - symbol: Hg # 115    coordinates: [  0.885294960000000,  0.000000000000000,  0.976125565000000 ]    mass: 200.590000    reduced_to: 89  - symbol: Hg # 116    coordinates: [  0.885294960000000,  0.500000000000000,  0.976125565000000 ]    mass: 200.590000    reduced_to: 89  - symbol: Hg # 117    coordinates: [  0.114705040000000,  0.000000000000000,  0.023874435000000 ]    mass: 200.590000    reduced_to: 93  - symbol: Hg # 118    coordinates: [  0.114705040000000,  0.500000000000000,  0.023874435000000 ]    mass: 200.590000    reduced_to: 93  - symbol: Hg # 119    coordinates: [  0.114705040000000,  0.000000000000000,  0.523874435000000 ]    mass: 200.590000    reduced_to: 93  - symbol: Hg # 120    coordinates: [  0.114705040000000,  0.500000000000000,  0.523874435000000 ]    mass: 200.590000    reduced_to: 93born_effective_charge:- # 1 (O)  - [ -4.321138160000000, -0.000000000000000, -1.151608800000000 ]  - [  0.000000000000000, -1.325828100000000,  0.000000000000000 ]  - [ -1.176694430000000, -0.000000000000000, -1.778203470000000 ]- # 2 (O)  - [ -2.655657550000000, -0.097664740000000, -0.317029570000000 ]  - [  0.122493900000000, -2.249277550000000, -0.636580470000000 ]  - [ -0.246497850000000, -0.588009920000000, -2.051833220000000 ]- # 3 (O)  - [ -2.655657550000000,  0.097664740000000, -0.317029570000000 ]  - [ -0.122493900000000, -2.249277550000000,  0.636580470000000 ]  - [ -0.246497850000000,  0.588009920000000, -2.051833220000000 ]- # 4 (O)  - [ -2.655657550000000, -0.097664740000000, -0.317029570000000 ]  - [  0.122493900000000, -2.249277550000000, -0.636580470000000 ]  - [ -0.246497850000000, -0.588009920000000, -2.051833220000000 ]- # 5 (O)  - [ -2.655657550000000,  0.097664740000000, -0.317029570000000 ]  - [ -0.122493900000000, -2.249277550000000,  0.636580470000000 ]  - [ -0.246497850000000,  0.588009920000000, -2.051833220000000 ]- # 6 (O)  - [ -3.076121630000000, -0.000000000000000,  0.270034460000000 ]  - [  0.000000000000000, -1.875707850000000, -0.000000000000000 ]  - [ -0.060503980000000, -0.000000000000000, -2.342364630000000 ]- # 7 (O)  - [ -3.076121630000000, -0.000000000000000,  0.270034460000000 ]  - [  0.000000000000000, -1.875707850000000, -0.000000000000000 ]  - [ -0.060503980000000, -0.000000000000000, -2.342364630000000 ]- # 8 (Si)  - [  3.522046110000000, -0.000000000000000, -0.144721150000000 ]  - [  0.000000000000000,  3.668352480000000,  0.000000000000000 ]  - [  0.017691470000000,  0.000000000000000,  3.663209490000000 ]- # 9 (Si)  - [  3.522046110000000, -0.000000000000000, -0.144721150000000 ]  - [  0.000000000000000,  3.668352480000000,  0.000000000000000 ]  - [  0.017691470000000,  0.000000000000000,  3.663209490000000 ]- # 10 (Hg)  - [  2.379325980000000, -0.188892890000000,  0.299755540000000 ]  - [ -0.290322830000000,  0.939756930000000, -0.245852680000000 ]  - [  0.315623490000000, -0.253813520000000,  1.379043870000000 ]- # 11 (Hg)  - [  2.379325980000000,  0.188892890000000,  0.299755540000000 ]  - [  0.290322830000000,  0.939756930000000,  0.245852680000000 ]  - [  0.315623490000000,  0.253813520000000,  1.379043870000000 ]- # 12 (Hg)  - [  2.379325980000000, -0.188892890000000,  0.299755540000000 ]  - [ -0.290322830000000,  0.939756930000000, -0.245852680000000 ]  - [  0.315623490000000, -0.253813520000000,  1.379043870000000 ]- # 13 (Hg)  - [  2.379325980000000,  0.188892890000000,  0.299755540000000 ]  - [  0.290322830000000,  0.939756930000000,  0.245852680000000 ]  - [  0.315623490000000,  0.253813520000000,  1.379043870000000 ]- # 14 (Hg)  - [  2.267307750000000,  0.000000000000000,  0.485039160000000 ]  - [ -0.000000000000000,  1.489310670000000, -0.000000000000000 ]  - [  0.492908460000000,  0.000000000000000,  0.913835590000000 ]- # 15 (Hg)  - [  2.267307750000000,  0.000000000000000,  0.485039160000000 ]  - [ -0.000000000000000,  1.489310670000000, -0.000000000000000 ]  - [  0.492908460000000,  0.000000000000000,  0.913835590000000 ]dielectric_constant:  - [  7.392352850000000,  0.000000000000000,  0.516501440000000 ]  - [  0.000000000000000,  5.142687120000000,  0.000000000000000 ]  - [  0.516504610000000,  0.000000000000000,  5.762861450000000 ]displacements:- atom:    1  displacement:    [   0.0099991227910989,  0.0000000000000000,  0.0001324515327476 ]  forces:  - [  -0.5363233400000000,  0.0000000000000000, -0.1960172700000000 ]  - [  -0.0002191600000000,  0.0000000000000000, -0.0000893600000000 ]  - [   0.0004445100000000,  0.0000000000000000,  0.0004819300000000 ]  - [   0.0000124900000000,  0.0000000000000000, -0.0000051500000000 ]  - [  -0.0009615000000000,  0.0010098000000000,  0.0001896000000000 ]  - [  -0.0018459900000000,  0.0006981300000000, -0.0001857700000000 ]  - [   0.0168230200000000,  0.0159369900000000,  0.0177375600000000 ]  - [  -0.0020847400000000,  0.0006350700000000, -0.0000920900000000 ]  - [   0.0207781000000000, -0.0146393300000000,  0.0181897000000000 ]  - [   0.0018263700000000,  0.0007831900000000,  0.0002084100000000 ]  - [   0.0029453100000000,  0.0004111100000000,  0.0004875000000000 ]  - [   0.0020656800000000,  0.0007241400000000,  0.0001145800000000 ]  - [   0.0207781000000000,  0.0146393300000000,  0.0181897000000000 ]  - [   0.0018263700000000, -0.0007831900000000,  0.0002084100000000 ]  - [   0.0029453100000000, -0.0004111100000000,  0.0004875000000000 ]  - [   0.0020656800000000, -0.0007241400000000,  0.0001145800000000 ]  - [  -0.0009615000000000, -0.0010098000000000,  0.0001896000000000 ]  - [  -0.0018459900000000, -0.0006981300000000, -0.0001857700000000 ]  - [   0.0168230200000000, -0.0159369900000000,  0.0177375600000000 ]  - [  -0.0020847400000000, -0.0006350700000000, -0.0000920900000000 ]  - [  -0.0001745200000000,  0.0000000000000000,  0.0054902600000000 ]  - [   0.0000597900000000,  0.0000000000000000,  0.0050657600000000 ]  - [   0.0394078200000000,  0.0000000000000000, -0.0021796700000000 ]  - 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[   0.0003367700000000, -0.0003539400000000, -0.0001285700000000 ]  - [   0.0003367700000000,  0.0003539400000000, -0.0001285700000000 ]  - [   0.0012646800000000, -0.0008930300000000, -0.0014232600000000 ]  - [   0.0012646800000000,  0.0008930300000000, -0.0014232600000000 ]  - [   0.0023339300000000, -0.0006372100000000, -0.0040479400000000 ]  - [  -0.0003901200000000,  0.0006749500000000, -0.0018627400000000 ]  - [  -0.0006376500000000, -0.0018987500000000,  0.0007375600000000 ]  - [  -0.0005520700000000,  0.0007093700000000, -0.0017461600000000 ]  - [   0.0005140100000000,  0.0031149900000000,  0.0044333500000000 ]  - [   0.0006153800000000,  0.0005213200000000,  0.0019610500000000 ]  - [   0.0034915000000000,  0.0018687000000000, -0.0003475800000000 ]  - [   0.0007786600000000,  0.0005552100000000,  0.0018446300000000 ]  - [   0.0005140100000000, -0.0031149900000000,  0.0044333500000000 ]  - [   0.0006153800000000, -0.0005213200000000,  0.0019610500000000 ]  - [   0.0034915000000000, -0.0018687000000000, -0.0003475800000000 ]  - 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[  -0.0055757400000000, -0.0017333800000000, -0.0042624100000000 ]  - [  -0.0005841800000000,  0.0008927900000000, -0.0020457900000000 ]  - [  -0.0044012600000000,  0.0029549100000000, -0.0005449900000000 ]  - [   0.0005871700000000,  0.0003361900000000,  0.0016629800000000 ]  - [  -0.0009289000000000,  0.0003537800000000,  0.0017152200000000 ]  - [   0.0003861400000000,  0.0005861500000000,  0.0019140800000000 ]  - [  -0.0044012600000000, -0.0029549100000000, -0.0005449900000000 ]  - [   0.0005871700000000, -0.0003361900000000,  0.0016629800000000 ]  - [  -0.0009289000000000, -0.0003537800000000,  0.0017152200000000 ]  - [   0.0003861400000000, -0.0005861500000000,  0.0019140800000000 ]  - [  -0.0020948100000000, -0.0008755200000000, -0.0019958800000000 ]  - [  -0.0007840500000000, -0.0006425400000000, -0.0017947300000000 ]  - [  -0.0055757400000000,  0.0017333800000000, -0.0042624100000000 ]  - [  -0.0005841800000000, -0.0008927900000000, -0.0020457900000000 ]  - [  -0.0011501300000000, -0.0000570900000000, -0.0018797200000000 ]  - [  -0.0011501300000000,  0.0000570900000000, -0.0018797200000000 ]  - [  -0.0001724700000000, -0.0023228000000000, -0.0009640100000000 ]  - [  -0.0001724700000000,  0.0023228000000000, -0.0009640100000000 ]  - [   0.0020072200000000,  0.0023213900000000,  0.0026482900000000 ]  - [   0.0020072200000000, -0.0023213900000000,  0.0026482900000000 ]  - [   0.0010211200000000,  0.0000578400000000,  0.0017289000000000 ]  - [   0.0010211200000000, -0.0000578400000000,  0.0017289000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0421397400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0004216700000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0006469900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0003083500000000,  0.0000000000000000 ]  - [  -0.0020454200000000, -0.0002293700000000, -0.0007838800000000 ]  - [  -0.0020222600000000,  0.0012166400000000,  0.0000441800000000 ]  - [   0.0123625700000000,  0.0046739200000000,  0.0105624100000000 ]  - [  -0.0020594900000000,  0.0015584700000000, -0.0001334200000000 ]  - [  -0.0123625700000000,  0.0046739200000000, -0.0105624100000000 ]  - [   0.0020594900000000,  0.0015584700000000,  0.0001334200000000 ]  - [   0.0020454200000000, -0.0002293700000000,  0.0007838800000000 ]  - [   0.0020222600000000,  0.0012166400000000, -0.0000441800000000 ]  - [   0.0163496000000000,  0.0032675000000000,  0.0109406700000000 ]  - [   0.0018542500000000,  0.0001376000000000,  0.0001698600000000 ]  - [   0.0018666500000000, -0.0016516100000000, -0.0004838100000000 ]  - [   0.0018907100000000, -0.0002042100000000,  0.0003451100000000 ]  - [  -0.0018666500000000, -0.0016516100000000,  0.0004838100000000 ]  - [  -0.0018907100000000, -0.0002042100000000, -0.0003451100000000 ]  - [  -0.0163496000000000,  0.0032675000000000, -0.0109406700000000 ]  - [  -0.0018542500000000,  0.0001376000000000, -0.0001698600000000 ]  - [   0.0001019800000000, -0.0008968900000000,  0.0051049300000000 ]  - 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