# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7c90d79e-ce29-4ebc-9861-6bd1c8c280a3/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 RbNaLi6(SiO4)2 / C2/m (12) / materials id 560653](https://mdr.nims.go.jp/datasets/54aafcbb-cf46-4450-8c46-f3ae07c93f13) ## 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: "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, 1 ]primitive_cell: lattice: - [ 7.827818840000000, -3.154286210000000, 0.005814155000000 ] # a - [ 7.827818840000000, 3.154286210000000, 0.005814155000000 ] # b - [ -0.073313540000000, 0.000000000000000, 7.778920840000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.244912860000000, 0.244912860000000, 0.970113970000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.755087140000000, 0.755087140000000, 0.029886030000000 ] mass: 85.467800 - symbol: Na # 3 coordinates: [ 0.251966020000000, 0.748033980000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.748033980000000, 0.251966020000000, 0.500000000000000 ] mass: 22.989769 - symbol: Li # 5 coordinates: [ 0.641834840000000, 0.641834840000000, 0.365009290000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.180321690000000, 0.674121150000000, 0.872357140000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.929068540000000, 0.443972740000000, 0.641406340000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.443972740000000, 0.929068540000000, 0.641406340000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.556027260000000, 0.070931460000000, 0.358593660000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.070931460000000, 0.556027260000000, 0.358593660000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.932547410000000, 0.932547410000000, 0.215730940000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.325878850000000, 0.819678310000000, 0.127642860000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.358165160000000, 0.358165160000000, 0.634990710000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.674121150000000, 0.180321690000000, 0.872357140000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.819678310000000, 0.325878850000000, 0.127642860000000 ] mass: 6.941000 - symbol: Li # 16 coordinates: [ 0.067452590000000, 0.067452590000000, 0.784269060000000 ] mass: 6.941000 - symbol: Si # 17 coordinates: [ 0.853799150000000, 0.853799150000000, 0.640586410000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.146200850000000, 0.146200850000000, 0.359413590000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.429214630000000, 0.429214630000000, 0.207760960000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.570785370000000, 0.570785370000000, 0.792239040000000 ] mass: 28.085500 - symbol: O # 21 coordinates: [ 0.585550930000000, 0.025166230000000, 0.700769990000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.618541310000000, 0.178454370000000, 0.110384500000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.974833770000000, 0.414449070000000, 0.299230010000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.867812110000000, 0.867812110000000, 0.430887010000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.178454370000000, 0.618541310000000, 0.110384500000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.948546850000000, 0.948546850000000, 0.736605170000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.533140150000000, 0.533140150000000, 0.240769730000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.615998930000000, 0.615998930000000, 0.600762730000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.025166230000000, 0.585550930000000, 0.700769990000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.466859850000000, 0.466859850000000, 0.759230270000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.821545630000000, 0.381458690000000, 0.889615500000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.381458690000000, 0.821545630000000, 0.889615500000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.132187890000000, 0.132187890000000, 0.569112990000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.051453150000000, 0.051453150000000, 0.263394830000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.384001070000000, 0.384001070000000, 0.399237270000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.414449070000000, 0.974833770000000, 0.299230010000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.063874306514055, -0.158514467842156, 0.000601992438528 ] # a* - [ 0.063874306514055, 0.158514467842156, 0.000601992438528 ] # b* - [ -0.000095482426478, 0.000000000000000, 0.128551635941999 ] # c*unit_cell: lattice: - [ 15.655637680000000, 0.000000000000000, 0.011628310000000 ] # a - [ 0.000000000000000, 6.308572420000000, 0.000000000000000 ] # b - [ -0.073313540000000, 0.000000000000000, 7.778920840000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.244912860000000, 0.000000000000000, 0.970113970000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.255087140000000, 0.500000000000000, 0.029886030000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.744912860000000, 0.500000000000000, 0.970113970000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.755087140000000, 0.000000000000000, 0.029886030000000 ] mass: 85.467800 reduced_to: 2 - symbol: Na # 5 coordinates: [ 0.500000000000000, 0.248033980000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.000000000000000, 0.251966020000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.748033980000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.751966020000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Li # 9 coordinates: [ 0.141834840000000, 0.500000000000000, 0.365009290000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.427221420000000, 0.246899730000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.186520640000000, 0.257452100000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.186520640000000, 0.742547900000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.313479360000000, 0.757452100000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.313479360000000, 0.242547900000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.432547410000000, 0.500000000000000, 0.215730940000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.072778580000000, 0.746899730000000, 0.127642860000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.358165160000000, 0.000000000000000, 0.634990710000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.427221420000000, 0.753100270000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.072778580000000, 0.253100270000000, 0.127642860000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.067452590000000, 0.000000000000000, 0.784269060000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.641834840000000, 0.000000000000000, 0.365009290000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 22 coordinates: [ 0.927221420000000, 0.746899730000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 23 coordinates: [ 0.686520640000000, 0.757452100000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 24 coordinates: [ 0.686520640000000, 0.242547900000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 25 coordinates: [ 0.813479360000000, 0.257452100000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 26 coordinates: [ 0.813479360000000, 0.742547900000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 27 coordinates: [ 0.932547410000000, 0.000000000000000, 0.215730940000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 28 coordinates: [ 0.572778580000000, 0.246899730000000, 0.127642860000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 29 coordinates: [ 0.858165160000000, 0.500000000000000, 0.634990710000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 30 coordinates: [ 0.927221420000000, 0.253100270000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 31 coordinates: [ 0.572778580000000, 0.753100270000000, 0.127642860000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 32 coordinates: [ 0.567452590000000, 0.500000000000000, 0.784269060000000 ] mass: 6.941000 reduced_to: 20 - symbol: Si # 33 coordinates: [ 0.353799150000000, 0.500000000000000, 0.640586410000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.146200850000000, 0.000000000000000, 0.359413590000000 ] mass: 28.085500 reduced_to: 34 - symbol: Si # 35 coordinates: [ 0.429214630000000, 0.000000000000000, 0.207760960000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.070785370000000, 0.500000000000000, 0.792239040000000 ] mass: 28.085500 reduced_to: 36 - symbol: Si # 37 coordinates: [ 0.853799150000000, 0.000000000000000, 0.640586410000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 38 coordinates: [ 0.646200850000000, 0.500000000000000, 0.359413590000000 ] mass: 28.085500 reduced_to: 34 - symbol: Si # 39 coordinates: [ 0.929214630000000, 0.500000000000000, 0.207760960000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 40 coordinates: [ 0.570785370000000, 0.000000000000000, 0.792239040000000 ] mass: 28.085500 reduced_to: 36 - symbol: O # 41 coordinates: [ 0.305358580000000, 0.719807650000000, 0.700769990000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.398497840000000, 0.779956530000000, 0.110384500000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.194641420000000, 0.219807650000000, 0.299230010000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.367812110000000, 0.500000000000000, 0.430887010000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.398497840000000, 0.220043470000000, 0.110384500000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.448546850000000, 0.500000000000000, 0.736605170000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.033140150000000, 0.500000000000000, 0.240769730000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.115998930000000, 0.500000000000000, 0.600762730000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.305358580000000, 0.280192350000000, 0.700769990000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.466859850000000, 0.000000000000000, 0.759230270000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.101502160000000, 0.279956530000000, 0.889615500000000 ] mass: 15.999400 reduced_to: 51 - 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symbol: O # 61 coordinates: [ 0.898497840000000, 0.720043470000000, 0.110384500000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 62 coordinates: [ 0.948546850000000, 0.000000000000000, 0.736605170000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 63 coordinates: [ 0.533140150000000, 0.000000000000000, 0.240769730000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 64 coordinates: [ 0.615998930000000, 0.000000000000000, 0.600762730000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 65 coordinates: [ 0.805358580000000, 0.780192350000000, 0.700769990000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 66 coordinates: [ 0.966859850000000, 0.500000000000000, 0.759230270000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 67 coordinates: [ 0.601502160000000, 0.779956530000000, 0.889615500000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 68 coordinates: [ 0.601502160000000, 0.220043470000000, 0.889615500000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 69 coordinates: [ 0.632187890000000, 0.500000000000000, 0.569112990000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 70 coordinates: [ 0.551453150000000, 0.500000000000000, 0.263394830000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 71 coordinates: [ 0.884001070000000, 0.500000000000000, 0.399237270000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 72 coordinates: [ 0.694641420000000, 0.280192350000000, 0.299230010000000 ] mass: 15.999400 reduced_to: 56supercell: lattice: - [ 15.655637680000000, 0.000000000000000, 0.011628310000000 ] # a - [ 0.000000000000000, 12.617144840000000, 0.000000000000000 ] # b - [ -0.073313540000000, 0.000000000000000, 7.778920840000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.244912860000000, 0.000000000000000, 0.970113970000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.244912860000000, 0.500000000000000, 0.970113970000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 3 coordinates: [ 0.255087140000000, 0.250000000000000, 0.029886030000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.255087140000000, 0.750000000000000, 0.029886030000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 5 coordinates: [ 0.744912860000000, 0.250000000000000, 0.970113970000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 6 coordinates: [ 0.744912860000000, 0.750000000000000, 0.970113970000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 7 coordinates: [ 0.755087140000000, 0.000000000000000, 0.029886030000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 8 coordinates: [ 0.755087140000000, 0.500000000000000, 0.029886030000000 ] mass: 85.467800 reduced_to: 3 - symbol: Na # 9 coordinates: [ 0.500000000000000, 0.124016990000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.500000000000000, 0.624016990000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.000000000000000, 0.125983010000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.000000000000000, 0.625983010000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.000000000000000, 0.374016990000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 14 coordinates: [ 0.000000000000000, 0.874016990000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 15 coordinates: [ 0.500000000000000, 0.375983010000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 16 coordinates: [ 0.500000000000000, 0.875983010000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Li # 17 coordinates: [ 0.141834840000000, 0.250000000000000, 0.365009290000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.141834840000000, 0.750000000000000, 0.365009290000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.427221420000000, 0.123449865000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.427221420000000, 0.623449865000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 21 coordinates: [ 0.186520640000000, 0.128726050000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.186520640000000, 0.628726050000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 23 coordinates: [ 0.186520640000000, 0.371273950000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.186520640000000, 0.871273950000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 25 coordinates: [ 0.313479360000000, 0.378726050000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.313479360000000, 0.878726050000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.313479360000000, 0.121273950000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 27 - symbol: Li # 28 coordinates: [ 0.313479360000000, 0.621273950000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 27 - symbol: Li # 29 coordinates: [ 0.432547410000000, 0.250000000000000, 0.215730940000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.432547410000000, 0.750000000000000, 0.215730940000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 31 coordinates: [ 0.072778580000000, 0.373449865000000, 0.127642860000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 32 coordinates: [ 0.072778580000000, 0.873449865000000, 0.127642860000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 33 coordinates: [ 0.358165160000000, 0.000000000000000, 0.634990710000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.358165160000000, 0.500000000000000, 0.634990710000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 35 coordinates: [ 0.427221420000000, 0.376550135000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 36 coordinates: [ 0.427221420000000, 0.876550135000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 37 coordinates: [ 0.072778580000000, 0.126550135000000, 0.127642860000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.072778580000000, 0.626550135000000, 0.127642860000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 39 coordinates: [ 0.067452590000000, 0.000000000000000, 0.784269060000000 ] mass: 6.941000 reduced_to: 39 - symbol: Li # 40 coordinates: [ 0.067452590000000, 0.500000000000000, 0.784269060000000 ] mass: 6.941000 reduced_to: 39 - symbol: Li # 41 coordinates: [ 0.641834840000000, 0.000000000000000, 0.365009290000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 42 coordinates: [ 0.641834840000000, 0.500000000000000, 0.365009290000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 43 coordinates: [ 0.927221420000000, 0.373449865000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 44 coordinates: [ 0.927221420000000, 0.873449865000000, 0.872357140000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 45 coordinates: [ 0.686520640000000, 0.378726050000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 46 coordinates: [ 0.686520640000000, 0.878726050000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 47 coordinates: [ 0.686520640000000, 0.121273950000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 48 coordinates: [ 0.686520640000000, 0.621273950000000, 0.641406340000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 49 coordinates: [ 0.813479360000000, 0.128726050000000, 0.358593660000000 ] mass: 6.941000 reduced_to: 25 - 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