# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/50a109a2-8098-413b-a9af-52c956e027ad/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 NaMgPO4 / P2_12_12_1 (19) / materials id 6699](https://mdr.nims.go.jp/datasets/6535dffd-c98d-423c-8866-2e9792055194)

## 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: "P2_12_12_1"  number: 19  Hall_symbol: "P 2ac 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     6.822103860000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.822670430000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.296145470000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.021176710000000,  0.630416290000000,  0.582172600000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.521176710000000,  0.869583710000000,  0.417827400000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.978823290000000,  0.130416290000000,  0.917827400000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.478823290000000,  0.369583710000000,  0.082172600000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.830145020000000,  0.636227890000000,  0.769042920000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.330145020000000,  0.863772110000000,  0.230957080000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.169854980000000,  0.136227890000000,  0.730957080000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.669854980000000,  0.363772110000000,  0.269042920000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.776752130000000,  0.614311880000000,  0.101119120000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.276752130000000,  0.885688120000000,  0.898880880000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.223247870000000,  0.114311880000000,  0.398880880000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.723247870000000,  0.385688120000000,  0.601119120000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.844538580000000,  0.617740370000000,  0.434824220000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.344538580000000,  0.882259630000000,  0.565175780000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.155461420000000,  0.117740370000000,  0.065175780000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.655461420000000,  0.382259630000000,  0.934824220000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.983001270000000,  0.388727670000000,  0.816601510000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.483001270000000,  0.111272330000000,  0.183398490000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.016998730000000,  0.888727670000000,  0.683398490000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.516998730000000,  0.611272330000000,  0.316601510000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.211664210000000,  0.634995010000000,  0.441907420000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.006992180000000,  0.627007960000000,  0.911796850000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.993007820000000,  0.127007960000000,  0.588203150000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.493007820000000,  0.372992040000000,  0.411796850000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.040400190000000,  0.392364020000000,  0.483978570000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.540400190000000,  0.107635980000000,  0.516021430000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.959599810000000,  0.892364020000000,  0.016021430000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.459599810000000,  0.607635980000000,  0.983978570000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.960253780000000,  0.630153920000000,  0.245951520000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.460253780000000,  0.869846080000000,  0.754048480000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.039746220000000,  0.130153920000000,  0.254048480000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.539746220000000,  0.369846080000000,  0.745951520000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.977942100000000,  0.392616650000000,  0.147801410000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.477942100000000,  0.107383350000000,  0.852198590000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.022057900000000,  0.892616650000000,  0.352198590000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.522057900000000,  0.607383350000000,  0.647801410000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.356645170000000,  0.363493190000000,  0.602980270000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.856645170000000,  0.136506810000000,  0.397019730000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.643354830000000,  0.863493190000000,  0.897019730000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.143354830000000,  0.636506810000000,  0.102980270000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.304492510000000,  0.395073400000000,  0.266925230000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.804492510000000,  0.104926600000000,  0.733074770000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.695507490000000,  0.895073400000000,  0.233074770000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.195507490000000,  0.604926600000000,  0.766925230000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.288335790000000,  0.365004990000000,  0.941907420000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.788335790000000,  0.134995010000000,  0.058092580000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.711664210000000,  0.865004990000000,  0.558092580000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.506992180000000,  0.872992040000000,  0.088203150000000 ]    mass: 15.999400  - symbol: Na # 49    coordinates: [  0.451078120000000,  0.609024710000000,  0.157479650000000 ]    mass: 22.989769  - symbol: Na # 50    coordinates: [  0.951078120000000,  0.890975290000000,  0.842520350000000 ]    mass: 22.989769  - symbol: Na # 51    coordinates: [  0.548921880000000,  0.109024710000000,  0.342520350000000 ]    mass: 22.989769  - symbol: Na # 52    coordinates: [  0.048921880000000,  0.390975290000000,  0.657479650000000 ]    mass: 22.989769  - symbol: Na # 53    coordinates: [  0.532055320000000,  0.599620410000000,  0.488612580000000 ]    mass: 22.989769  - symbol: Na # 54    coordinates: [  0.032055320000000,  0.900379590000000,  0.511387420000000 ]    mass: 22.989769  - symbol: Na # 55    coordinates: [  0.467944680000000,  0.099620410000000,  0.011387420000000 ]    mass: 22.989769  - symbol: Na # 56    coordinates: [  0.967944680000000,  0.400379590000000,  0.988612580000000 ]    mass: 22.989769  - symbol: Na # 57    coordinates: [  0.518250670000000,  0.602132830000000,  0.821746960000000 ]    mass: 22.989769  - symbol: Na # 58    coordinates: [  0.018250670000000,  0.897867170000000,  0.178253040000000 ]    mass: 22.989769  - symbol: Na # 59    coordinates: [  0.481749330000000,  0.102132830000000,  0.678253040000000 ]    mass: 22.989769  - symbol: Na # 60    coordinates: [  0.981749330000000,  0.397867170000000,  0.321746960000000 ]    mass: 22.989769  - symbol: Mg # 61    coordinates: [  0.300779320000000,  0.262826240000000,  0.489635050000000 ]    mass: 24.305000  - symbol: Mg # 62    coordinates: [  0.800779320000000,  0.237173760000000,  0.510364950000000 ]    mass: 24.305000  - symbol: Mg # 63    coordinates: [  0.699220680000000,  0.762826240000000,  0.010364950000000 ]    mass: 24.305000  - symbol: Mg # 64    coordinates: [  0.199220680000000,  0.737173760000000,  0.989635050000000 ]    mass: 24.305000  - symbol: Mg # 65    coordinates: [  0.707070740000000,  0.271211790000000,  0.153240180000000 ]    mass: 24.305000  - symbol: Mg # 66    coordinates: [  0.207070740000000,  0.228788210000000,  0.846759820000000 ]    mass: 24.305000  - symbol: Mg # 67    coordinates: [  0.292929260000000,  0.771211790000000,  0.346759820000000 ]    mass: 24.305000  - symbol: Mg # 68    coordinates: [  0.792929260000000,  0.728788210000000,  0.653240180000000 ]    mass: 24.305000  - symbol: Mg # 69    coordinates: [  0.725162780000000,  0.253254720000000,  0.828931120000000 ]    mass: 24.305000  - symbol: Mg # 70    coordinates: [  0.225162780000000,  0.246745280000000,  0.171068880000000 ]    mass: 24.305000  - symbol: Mg # 71    coordinates: [  0.274837220000000,  0.753254720000000,  0.671068880000000 ]    mass: 24.305000  - symbol: Mg # 72    coordinates: [  0.774837220000000,  0.746745280000000,  0.328931120000000 ]    mass: 24.305000  - symbol: P  # 73    coordinates: [  0.535713170000000,  0.429285970000000,  0.651214710000000 ]    mass: 30.973762  - symbol: P  # 74    coordinates: [  0.035713170000000,  0.070714030000000,  0.348785290000000 ]    mass: 30.973762  - symbol: P  # 75    coordinates: [  0.464286830000000,  0.929285970000000,  0.848785290000000 ]    mass: 30.973762  - symbol: P  # 76    coordinates: [  0.964286830000000,  0.570714030000000,  0.151214710000000 ]    mass: 30.973762  - symbol: P  # 77    coordinates: [  0.471698020000000,  0.430133870000000,  0.986173760000000 ]    mass: 30.973762  - symbol: P  # 78    coordinates: [  0.971698020000000,  0.069866130000000,  0.013826240000000 ]    mass: 30.973762  - symbol: P  # 79    coordinates: [  0.528301980000000,  0.930133870000000,  0.513826240000000 ]    mass: 30.973762  - symbol: P  # 80    coordinates: [  0.028301980000000,  0.569866130000000,  0.486173760000000 ]    mass: 30.973762  - symbol: P  # 81    coordinates: [  0.493743430000000,  0.434476670000000,  0.316879210000000 ]    mass: 30.973762  - symbol: P  # 82    coordinates: [  0.993743430000000,  0.065523330000000,  0.683120790000000 ]    mass: 30.973762  - symbol: P  # 83    coordinates: [  0.506256570000000,  0.934476670000000,  0.183120790000000 ]    mass: 30.973762  - symbol: P  # 84    coordinates: [  0.006256570000000,  0.565523330000000,  0.816879210000000 ]    mass: 30.973762  reciprocal_lattice: # without 2pi  - [     0.146582347692373,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.113344367551084,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.065375947290857 ] # c*unit_cell:  lattice:  - [     6.822103860000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.822670430000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.296145470000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.021176710000000,  0.630416290000000,  0.582172600000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.521176710000000,  0.869583710000000,  0.417827400000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.978823290000000,  0.130416290000000,  0.917827400000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.478823290000000,  0.369583710000000,  0.082172600000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.830145020000000,  0.636227890000000,  0.769042920000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.330145020000000,  0.863772110000000,  0.230957080000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.169854980000000,  0.136227890000000,  0.730957080000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.669854980000000,  0.363772110000000,  0.269042920000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.776752130000000,  0.614311880000000,  0.101119120000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.276752130000000,  0.885688120000000,  0.898880880000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.223247870000000,  0.114311880000000,  0.398880880000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.723247870000000,  0.385688120000000,  0.601119120000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.844538580000000,  0.617740370000000,  0.434824220000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.344538580000000,  0.882259630000000,  0.565175780000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.155461420000000,  0.117740370000000,  0.065175780000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.655461420000000,  0.382259630000000,  0.934824220000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.983001270000000,  0.388727670000000,  0.816601510000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.483001270000000,  0.111272330000000,  0.183398490000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.016998730000000,  0.888727670000000,  0.683398490000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.516998730000000,  0.611272330000000,  0.316601510000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.211664210000000,  0.634995010000000,  0.441907420000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.006992180000000,  0.627007960000000,  0.911796850000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.993007820000000,  0.127007960000000,  0.588203150000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.493007820000000,  0.372992040000000,  0.411796850000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.040400190000000,  0.392364020000000,  0.483978570000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.540400190000000,  0.107635980000000,  0.516021430000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.959599810000000,  0.892364020000000,  0.016021430000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.459599810000000,  0.607635980000000,  0.983978570000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.960253780000000,  0.630153920000000,  0.245951520000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.460253780000000,  0.869846080000000,  0.754048480000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.039746220000000,  0.130153920000000,  0.254048480000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.539746220000000,  0.369846080000000,  0.745951520000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.977942100000000,  0.392616650000000,  0.147801410000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.477942100000000,  0.107383350000000,  0.852198590000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.022057900000000,  0.892616650000000,  0.352198590000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.522057900000000,  0.607383350000000,  0.647801410000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.356645170000000,  0.363493190000000,  0.602980270000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.856645170000000,  0.136506810000000,  0.397019730000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.643354830000000,  0.863493190000000,  0.897019730000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.143354830000000,  0.636506810000000,  0.102980270000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.304492510000000,  0.395073400000000,  0.266925230000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.804492510000000,  0.104926600000000,  0.733074770000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.695507490000000,  0.895073400000000,  0.233074770000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.195507490000000,  0.604926600000000,  0.766925230000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.288335790000000,  0.365004990000000,  0.941907420000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.788335790000000,  0.134995010000000,  0.058092580000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.711664210000000,  0.865004990000000,  0.558092580000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.506992180000000,  0.872992040000000,  0.088203150000000 ]    mass: 15.999400    reduced_to: 48  - symbol: Na # 49    coordinates: [  0.451078120000000,  0.609024710000000,  0.157479650000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 50    coordinates: [  0.951078120000000,  0.890975290000000,  0.842520350000000 ]    mass: 22.989769    reduced_to: 50  - symbol: Na # 51    coordinates: [  0.548921880000000,  0.109024710000000,  0.342520350000000 ]    mass: 22.989769    reduced_to: 51  - symbol: Na # 52    coordinates: [  0.048921880000000,  0.390975290000000,  0.657479650000000 ]    mass: 22.989769    reduced_to: 52  - symbol: Na # 53    coordinates: [  0.532055320000000,  0.599620410000000,  0.488612580000000 ]    mass: 22.989769    reduced_to: 53  - symbol: Na # 54    coordinates: [  0.032055320000000,  0.900379590000000,  0.511387420000000 ]    mass: 22.989769    reduced_to: 54  - symbol: Na # 55    coordinates: [  0.467944680000000,  0.099620410000000,  0.011387420000000 ]    mass: 22.989769    reduced_to: 55  - symbol: Na # 56    coordinates: [  0.967944680000000,  0.400379590000000,  0.988612580000000 ]    mass: 22.989769    reduced_to: 56  - symbol: Na # 57    coordinates: [  0.518250670000000,  0.602132830000000,  0.821746960000000 ]    mass: 22.989769    reduced_to: 57  - symbol: Na # 58    coordinates: [  0.018250670000000,  0.897867170000000,  0.178253040000000 ]    mass: 22.989769    reduced_to: 58  - symbol: Na # 59    coordinates: [  0.481749330000000,  0.102132830000000,  0.678253040000000 ]    mass: 22.989769    reduced_to: 59  - symbol: Na # 60    coordinates: [  0.981749330000000,  0.397867170000000,  0.321746960000000 ]    mass: 22.989769    reduced_to: 60  - symbol: Mg # 61    coordinates: [  0.300779320000000,  0.262826240000000,  0.489635050000000 ]    mass: 24.305000    reduced_to: 61  - symbol: Mg # 62    coordinates: [  0.800779320000000,  0.237173760000000,  0.510364950000000 ]    mass: 24.305000    reduced_to: 62  - symbol: Mg # 63    coordinates: [  0.699220680000000,  0.762826240000000,  0.010364950000000 ]    mass: 24.305000    reduced_to: 63  - symbol: Mg # 64    coordinates: [  0.199220680000000,  0.737173760000000,  0.989635050000000 ]    mass: 24.305000    reduced_to: 64  - symbol: Mg # 65    coordinates: [  0.707070740000000,  0.271211790000000,  0.153240180000000 ]    mass: 24.305000    reduced_to: 65  - symbol: Mg # 66    coordinates: [  0.207070740000000,  0.228788210000000,  0.846759820000000 ]    mass: 24.305000    reduced_to: 66  - symbol: Mg # 67    coordinates: [  0.292929260000000,  0.771211790000000,  0.346759820000000 ]    mass: 24.305000    reduced_to: 67  - symbol: Mg # 68    coordinates: [  0.792929260000000,  0.728788210000000,  0.653240180000000 ]    mass: 24.305000    reduced_to: 68  - symbol: Mg # 69    coordinates: [  0.725162780000000,  0.253254720000000,  0.828931120000000 ]    mass: 24.305000    reduced_to: 69  - 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