# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e4ac1fef-b5ea-4d1a-9217-0eeba627f92c/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 SrWN3 / C2/m (12) / materials id 989513](https://mdr.nims.go.jp/datasets/79955155-27fb-424b-87ac-e682cb06ebe4) ## 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, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.102366045000000, -1.901759240000000, 0.003095985000000 ] # a - [ 6.102366045000000, 1.901759240000000, 0.003095985000000 ] # b - [ -1.568013200000000, 0.000000000000000, 6.459976190000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.381758080000000, 0.381758080000000, 0.163829560000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.618241920000000, 0.618241920000000, 0.836170440000000 ] mass: 87.620000 - symbol: W # 3 coordinates: [ 0.151851670000000, 0.151851670000000, 0.369635550000000 ] mass: 183.840000 - symbol: W # 4 coordinates: [ 0.848148330000000, 0.848148330000000, 0.630364450000000 ] mass: 183.840000 - symbol: N # 5 coordinates: [ 0.154999370000000, 0.154999370000000, 0.102616300000000 ] mass: 14.006700 - symbol: N # 6 coordinates: [ 0.003941680000000, 0.003941680000000, 0.606907090000000 ] mass: 14.006700 - symbol: N # 7 coordinates: [ 0.996058320000000, 0.996058320000000, 0.393092910000000 ] mass: 14.006700 - symbol: N # 8 coordinates: [ 0.321049240000000, 0.321049240000000, 0.524016630000000 ] mass: 14.006700 - symbol: N # 9 coordinates: [ 0.678950760000000, 0.678950760000000, 0.475983370000000 ] mass: 14.006700 - symbol: N # 10 coordinates: [ 0.845000630000000, 0.845000630000000, 0.897383700000000 ] mass: 14.006700 reciprocal_lattice: # without 2pi - [ 0.081925343551214, -0.262914458088817, 0.019885525321547 ] # a* - [ 0.081925343551214, 0.262914458088817, 0.019885525321547 ] # b* - [ -0.000078526492140, 0.000000000000000, 0.154780271631895 ] # c*unit_cell: lattice: - [ 12.204732090000000, 0.000000000000000, 0.006191970000000 ] # a - [ 0.000000000000000, 3.803518480000000, 0.000000000000000 ] # b - [ -1.568013200000000, 0.000000000000000, 6.459976190000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.381758080000000, 0.000000000000000, 0.163829560000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.118241920000000, 0.500000000000000, 0.836170440000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.881758080000000, 0.500000000000000, 0.163829560000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.618241920000000, 0.000000000000000, 0.836170440000000 ] mass: 87.620000 reduced_to: 2 - symbol: W # 5 coordinates: [ 0.151851670000000, 0.000000000000000, 0.369635550000000 ] mass: 183.840000 reduced_to: 5 - symbol: W # 6 coordinates: [ 0.348148330000000, 0.500000000000000, 0.630364450000000 ] mass: 183.840000 reduced_to: 6 - symbol: W # 7 coordinates: [ 0.651851670000000, 0.500000000000000, 0.369635550000000 ] mass: 183.840000 reduced_to: 5 - symbol: W # 8 coordinates: [ 0.848148330000000, 0.000000000000000, 0.630364450000000 ] mass: 183.840000 reduced_to: 6 - symbol: N # 9 coordinates: [ 0.154999370000000, 0.000000000000000, 0.102616300000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 10 coordinates: [ 0.503941680000000, 0.500000000000000, 0.606907090000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 11 coordinates: [ 0.996058320000000, 0.000000000000000, 0.393092910000000 ] mass: 14.006700 reduced_to: 11 - symbol: N # 12 coordinates: [ 0.321049240000000, 0.000000000000000, 0.524016630000000 ] mass: 14.006700 reduced_to: 12 - symbol: N # 13 coordinates: [ 0.178950760000000, 0.500000000000000, 0.475983370000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 14 coordinates: [ 0.345000630000000, 0.500000000000000, 0.897383700000000 ] mass: 14.006700 reduced_to: 14 - symbol: N # 15 coordinates: [ 0.654999370000000, 0.500000000000000, 0.102616300000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 16 coordinates: [ 0.003941680000000, 0.000000000000000, 0.606907090000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 17 coordinates: [ 0.496058320000000, 0.500000000000000, 0.393092910000000 ] mass: 14.006700 reduced_to: 11 - symbol: N # 18 coordinates: [ 0.821049240000000, 0.500000000000000, 0.524016630000000 ] mass: 14.006700 reduced_to: 12 - symbol: N # 19 coordinates: [ 0.678950760000000, 0.000000000000000, 0.475983370000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 20 coordinates: [ 0.845000630000000, 0.000000000000000, 0.897383700000000 ] mass: 14.006700 reduced_to: 14supercell: lattice: - [ 12.204732090000000, 0.000000000000000, 0.006191970000000 ] # a - [ 0.000000000000000, 11.410555440000000, 0.000000000000000 ] # b - [ -3.136026400000000, 0.000000000000000, 12.919952380000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.381758080000000, 0.000000000000000, 0.081914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.381758080000000, 0.333333333333333, 0.081914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.381758080000000, 0.666666666666667, 0.081914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.381758080000000, 0.000000000000000, 0.581914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 5 coordinates: [ 0.381758080000000, 0.333333333333333, 0.581914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 6 coordinates: [ 0.381758080000000, 0.666666666666667, 0.581914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 7 coordinates: [ 0.118241920000000, 0.166666666666667, 0.418085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.118241920000000, 0.500000000000000, 0.418085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 9 coordinates: [ 0.118241920000000, 0.833333333333333, 0.418085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 10 coordinates: [ 0.118241920000000, 0.166666666666667, 0.918085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 11 coordinates: [ 0.118241920000000, 0.500000000000000, 0.918085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 12 coordinates: [ 0.118241920000000, 0.833333333333333, 0.918085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 13 coordinates: [ 0.881758080000000, 0.166666666666667, 0.081914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 14 coordinates: [ 0.881758080000000, 0.500000000000000, 0.081914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 15 coordinates: [ 0.881758080000000, 0.833333333333333, 0.081914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 16 coordinates: [ 0.881758080000000, 0.166666666666667, 0.581914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 17 coordinates: [ 0.881758080000000, 0.500000000000000, 0.581914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 18 coordinates: [ 0.881758080000000, 0.833333333333333, 0.581914780000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 19 coordinates: [ 0.618241920000000, 0.000000000000000, 0.418085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 20 coordinates: [ 0.618241920000000, 0.333333333333333, 0.418085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 21 coordinates: [ 0.618241920000000, 0.666666666666667, 0.418085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 22 coordinates: [ 0.618241920000000, 0.000000000000000, 0.918085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 23 coordinates: [ 0.618241920000000, 0.333333333333333, 0.918085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 24 coordinates: [ 0.618241920000000, 0.666666666666667, 0.918085220000000 ] mass: 87.620000 reduced_to: 7 - symbol: W # 25 coordinates: [ 0.151851670000000, 0.000000000000000, 0.184817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 26 coordinates: [ 0.151851670000000, 0.333333333333333, 0.184817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 27 coordinates: [ 0.151851670000000, 0.666666666666667, 0.184817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 28 coordinates: [ 0.151851670000000, 0.000000000000000, 0.684817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 29 coordinates: [ 0.151851670000000, 0.333333333333333, 0.684817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 30 coordinates: [ 0.151851670000000, 0.666666666666667, 0.684817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 31 coordinates: [ 0.348148330000000, 0.166666666666667, 0.315182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 32 coordinates: [ 0.348148330000000, 0.500000000000000, 0.315182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 33 coordinates: [ 0.348148330000000, 0.833333333333333, 0.315182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 34 coordinates: [ 0.348148330000000, 0.166666666666667, 0.815182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 35 coordinates: [ 0.348148330000000, 0.500000000000000, 0.815182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 36 coordinates: [ 0.348148330000000, 0.833333333333333, 0.815182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 37 coordinates: [ 0.651851670000000, 0.166666666666667, 0.184817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 38 coordinates: [ 0.651851670000000, 0.500000000000000, 0.184817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 39 coordinates: [ 0.651851670000000, 0.833333333333333, 0.184817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 40 coordinates: [ 0.651851670000000, 0.166666666666667, 0.684817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 41 coordinates: [ 0.651851670000000, 0.500000000000000, 0.684817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 42 coordinates: [ 0.651851670000000, 0.833333333333333, 0.684817775000000 ] mass: 183.840000 reduced_to: 25 - symbol: W # 43 coordinates: [ 0.848148330000000, 0.000000000000000, 0.315182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 44 coordinates: [ 0.848148330000000, 0.333333333333333, 0.315182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 45 coordinates: [ 0.848148330000000, 0.666666666666667, 0.315182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 46 coordinates: [ 0.848148330000000, 0.000000000000000, 0.815182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 47 coordinates: [ 0.848148330000000, 0.333333333333333, 0.815182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: W # 48 coordinates: [ 0.848148330000000, 0.666666666666667, 0.815182225000000 ] mass: 183.840000 reduced_to: 31 - symbol: N # 49 coordinates: [ 0.154999370000000, 0.000000000000000, 0.051308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.154999370000000, 0.333333333333333, 0.051308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 51 coordinates: [ 0.154999370000000, 0.666666666666667, 0.051308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 52 coordinates: [ 0.154999370000000, 0.000000000000000, 0.551308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 53 coordinates: [ 0.154999370000000, 0.333333333333333, 0.551308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 54 coordinates: [ 0.154999370000000, 0.666666666666667, 0.551308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 55 coordinates: [ 0.503941680000000, 0.166666666666667, 0.303453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 56 coordinates: [ 0.503941680000000, 0.500000000000000, 0.303453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 57 coordinates: [ 0.503941680000000, 0.833333333333333, 0.303453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 58 coordinates: [ 0.503941680000000, 0.166666666666667, 0.803453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 59 coordinates: [ 0.503941680000000, 0.500000000000000, 0.803453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 60 coordinates: [ 0.503941680000000, 0.833333333333333, 0.803453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 61 coordinates: [ 0.996058320000000, 0.000000000000000, 0.196546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.996058320000000, 0.333333333333333, 0.196546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 63 coordinates: [ 0.996058320000000, 0.666666666666667, 0.196546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 64 coordinates: [ 0.996058320000000, 0.000000000000000, 0.696546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 65 coordinates: [ 0.996058320000000, 0.333333333333333, 0.696546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 66 coordinates: [ 0.996058320000000, 0.666666666666667, 0.696546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 67 coordinates: [ 0.321049240000000, 0.000000000000000, 0.262008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.321049240000000, 0.333333333333333, 0.262008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 69 coordinates: [ 0.321049240000000, 0.666666666666667, 0.262008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 70 coordinates: [ 0.321049240000000, 0.000000000000000, 0.762008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 71 coordinates: [ 0.321049240000000, 0.333333333333333, 0.762008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 72 coordinates: [ 0.321049240000000, 0.666666666666667, 0.762008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 73 coordinates: [ 0.178950760000000, 0.166666666666667, 0.237991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 74 coordinates: [ 0.178950760000000, 0.500000000000000, 0.237991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 75 coordinates: [ 0.178950760000000, 0.833333333333333, 0.237991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 76 coordinates: [ 0.178950760000000, 0.166666666666667, 0.737991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 77 coordinates: [ 0.178950760000000, 0.500000000000000, 0.737991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 78 coordinates: [ 0.178950760000000, 0.833333333333333, 0.737991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 79 coordinates: [ 0.345000630000000, 0.166666666666667, 0.448691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 80 coordinates: [ 0.345000630000000, 0.500000000000000, 0.448691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 81 coordinates: [ 0.345000630000000, 0.833333333333333, 0.448691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 82 coordinates: [ 0.345000630000000, 0.166666666666667, 0.948691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 83 coordinates: [ 0.345000630000000, 0.500000000000000, 0.948691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 84 coordinates: [ 0.345000630000000, 0.833333333333333, 0.948691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 85 coordinates: [ 0.654999370000000, 0.166666666666667, 0.051308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 86 coordinates: [ 0.654999370000000, 0.500000000000000, 0.051308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 87 coordinates: [ 0.654999370000000, 0.833333333333333, 0.051308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 88 coordinates: [ 0.654999370000000, 0.166666666666667, 0.551308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 89 coordinates: [ 0.654999370000000, 0.500000000000000, 0.551308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 90 coordinates: [ 0.654999370000000, 0.833333333333333, 0.551308150000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 91 coordinates: [ 0.003941680000000, 0.000000000000000, 0.303453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 92 coordinates: [ 0.003941680000000, 0.333333333333333, 0.303453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 93 coordinates: [ 0.003941680000000, 0.666666666666667, 0.303453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 94 coordinates: [ 0.003941680000000, 0.000000000000000, 0.803453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 95 coordinates: [ 0.003941680000000, 0.333333333333333, 0.803453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 96 coordinates: [ 0.003941680000000, 0.666666666666667, 0.803453545000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 97 coordinates: [ 0.496058320000000, 0.166666666666667, 0.196546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 98 coordinates: [ 0.496058320000000, 0.500000000000000, 0.196546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 99 coordinates: [ 0.496058320000000, 0.833333333333333, 0.196546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 100 coordinates: [ 0.496058320000000, 0.166666666666667, 0.696546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 101 coordinates: [ 0.496058320000000, 0.500000000000000, 0.696546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 102 coordinates: [ 0.496058320000000, 0.833333333333333, 0.696546455000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 103 coordinates: [ 0.821049240000000, 0.166666666666667, 0.262008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 104 coordinates: [ 0.821049240000000, 0.500000000000000, 0.262008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 105 coordinates: [ 0.821049240000000, 0.833333333333333, 0.262008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 106 coordinates: [ 0.821049240000000, 0.166666666666667, 0.762008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 107 coordinates: [ 0.821049240000000, 0.500000000000000, 0.762008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 108 coordinates: [ 0.821049240000000, 0.833333333333333, 0.762008315000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 109 coordinates: [ 0.678950760000000, 0.000000000000000, 0.237991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 110 coordinates: [ 0.678950760000000, 0.333333333333333, 0.237991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 111 coordinates: [ 0.678950760000000, 0.666666666666667, 0.237991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 112 coordinates: [ 0.678950760000000, 0.000000000000000, 0.737991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 113 coordinates: [ 0.678950760000000, 0.333333333333333, 0.737991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 114 coordinates: [ 0.678950760000000, 0.666666666666667, 0.737991685000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 115 coordinates: [ 0.845000630000000, 0.000000000000000, 0.448691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 116 coordinates: [ 0.845000630000000, 0.333333333333333, 0.448691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 117 coordinates: [ 0.845000630000000, 0.666666666666667, 0.448691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 118 coordinates: [ 0.845000630000000, 0.000000000000000, 0.948691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 119 coordinates: [ 0.845000630000000, 0.333333333333333, 0.948691850000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 120 coordinates: [ 0.845000630000000, 0.666666666666667, 0.948691850000000 ] mass: 14.006700 reduced_to: 79born_effective_charge:- # 1 (Sr) - [ 2.474772350000000, 0.000000000000000, 0.035260430000000 ] - [ 0.000000000000000, 2.380081530000000, 0.000000000000000 ] - [ -0.031563730000000, 0.000000000000000, 3.168139420000000 ]- # 2 (Sr) - [ 2.474772350000000, 0.000000000000000, 0.035260430000000 ] - [ 0.000000000000000, 2.380081530000000, 0.000000000000000 ] - [ -0.031563730000000, 0.000000000000000, 3.168139420000000 ]- # 3 (W) - [ 6.154224670000000, 0.000000000000000, 0.847701600000000 ] - [ 0.000000000000000, 6.149963900000001, 0.000000000000000 ] - 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