# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1ee0b031-3499-4473-a56f-3f8701d95adf/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 Cs3Nd(PS4)2 / P2_1/c (14) / materials id 572442](https://mdr.nims.go.jp/datasets/b92a6807-c1b7-40de-8429-6ee7447c9d1a) ## 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_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 15.263621329999999, 0.000000000000000, -0.010989850000000 ] # a - [ 0.000000000000000, 6.881186360000000, 0.000000000000000 ] # b - [ -12.736356570000000, 0.000000000000000, 15.243476440000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.154666930000000, 0.761545340000000, 0.380374030000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.070167500000000, 0.757151730000000, 0.118457200000000 ] mass: 132.905452 - symbol: Cs # 3 coordinates: [ 0.584734670000000, 0.744516800000000, 0.473954740000000 ] mass: 132.905452 - symbol: Cs # 4 coordinates: [ 0.415265330000000, 0.255483200000000, 0.526045260000000 ] mass: 132.905452 - symbol: Cs # 5 coordinates: [ 0.415265330000000, 0.244516800000000, 0.026045260000000 ] mass: 132.905452 - symbol: Cs # 6 coordinates: [ 0.845333070000000, 0.261545340000000, 0.119625970000000 ] mass: 132.905452 - symbol: Cs # 7 coordinates: [ 0.154666930000000, 0.738454660000000, 0.880374030000000 ] mass: 132.905452 - symbol: Cs # 8 coordinates: [ 0.584734670000000, 0.755483200000000, 0.973954740000000 ] mass: 132.905452 - symbol: Cs # 9 coordinates: [ 0.070167500000000, 0.742848270000000, 0.618457200000000 ] mass: 132.905452 - symbol: Cs # 10 coordinates: [ 0.929832500000000, 0.257151730000000, 0.381542800000000 ] mass: 132.905452 - symbol: Cs # 11 coordinates: [ 0.929832500000000, 0.242848270000000, 0.881542800000000 ] mass: 132.905452 - symbol: Cs # 12 coordinates: [ 0.845333070000000, 0.238454660000000, 0.619625970000000 ] mass: 132.905452 - symbol: Nd # 13 coordinates: [ 0.351234510000000, 0.234856800000000, 0.229699630000000 ] mass: 144.242000 - symbol: Nd # 14 coordinates: [ 0.648765490000000, 0.734856800000000, 0.270300370000000 ] mass: 144.242000 - symbol: Nd # 15 coordinates: [ 0.648765490000000, 0.765143200000000, 0.770300370000000 ] mass: 144.242000 - symbol: Nd # 16 coordinates: [ 0.351234510000000, 0.265143200000000, 0.729699630000000 ] mass: 144.242000 - symbol: P # 17 coordinates: [ 0.193687580000000, 0.259122010000000, 0.279393820000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.655240180000000, 0.223212590000000, 0.872106640000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.193687580000000, 0.240877990000000, 0.779393820000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.344759820000000, 0.776787410000000, 0.127893360000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.344759820000000, 0.723212590000000, 0.627893360000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.806312420000000, 0.759122010000000, 0.220606180000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.806312420000000, 0.740877990000000, 0.720606180000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.655240180000000, 0.276787410000000, 0.372106640000000 ] mass: 30.973762 - symbol: S # 25 coordinates: [ 0.111081420000000, 0.264933510000000, 0.327398750000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.557862160000000, 0.249972850000000, 0.908972150000000 ] mass: 32.065000 - symbol: S # 27 coordinates: [ 0.750737150000000, 0.031548310000000, 0.406154360000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.249262850000000, 0.968451690000000, 0.593845640000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.294384950000000, 0.013909840000000, 0.320634380000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.298480810000000, 0.495689950000000, 0.318273870000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.762363860000000, 0.511598030000000, 0.430395380000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.544436190000000, 0.159853670000000, 0.739941120000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.903406440000000, 0.745299950000000, 0.854515900000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.096593560000000, 0.254700050000000, 0.145484100000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.237636140000000, 0.011598030000000, 0.069604620000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.096593560000000, 0.245299950000000, 0.645484100000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.442137840000000, 0.750027150000000, 0.091027850000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.557862160000000, 0.250027150000000, 0.408972150000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.762363860000000, 0.988401970000000, 0.930395380000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.701519190000000, 0.995689950000000, 0.181726130000000 ] mass: 32.065000 - symbol: S # 41 coordinates: [ 0.111081420000000, 0.235066490000000, 0.827398750000000 ] mass: 32.065000 - symbol: S # 42 coordinates: [ 0.249262850000000, 0.531548310000000, 0.093845640000000 ] mass: 32.065000 - symbol: S # 43 coordinates: [ 0.442137840000000, 0.749972850000000, 0.591027850000000 ] mass: 32.065000 - symbol: S # 44 coordinates: [ 0.294384950000000, 0.486090160000000, 0.820634380000000 ] mass: 32.065000 - symbol: S # 45 coordinates: [ 0.903406440000000, 0.754700050000000, 0.354515900000000 ] mass: 32.065000 - symbol: S # 46 coordinates: [ 0.298480810000000, 0.004310050000000, 0.818273870000000 ] mass: 32.065000 - symbol: S # 47 coordinates: [ 0.750737150000000, 0.468451690000000, 0.906154360000000 ] mass: 32.065000 - symbol: S # 48 coordinates: [ 0.888918580000000, 0.764933510000000, 0.172601250000000 ] mass: 32.065000 - symbol: S # 49 coordinates: [ 0.705615050000000, 0.513909840000000, 0.179365620000000 ] mass: 32.065000 - symbol: S # 50 coordinates: [ 0.544436190000000, 0.340146330000000, 0.239941120000000 ] mass: 32.065000 - symbol: S # 51 coordinates: [ 0.455563810000000, 0.840146330000000, 0.260058880000000 ] mass: 32.065000 - symbol: S # 52 coordinates: [ 0.705615050000000, 0.986090160000000, 0.679365620000000 ] mass: 32.065000 - symbol: S # 53 coordinates: [ 0.888918580000000, 0.735066490000000, 0.672601250000000 ] mass: 32.065000 - symbol: S # 54 coordinates: [ 0.455563810000000, 0.659853670000000, 0.760058880000000 ] mass: 32.065000 - symbol: S # 55 coordinates: [ 0.237636140000000, 0.488401970000000, 0.569604620000000 ] mass: 32.065000 - symbol: S # 56 coordinates: [ 0.701519190000000, 0.504310050000000, 0.681726130000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.065554688708913, 0.000000000000000, 0.054772800254485 ] # a* - [ 0.000000000000000, 0.145323778151534, 0.000000000000000 ] # b* - [ 0.000047261935199, 0.000000000000000, 0.065641321964668 ] # c*unit_cell: lattice: - [ 15.263621329999999, 0.000000000000000, -0.010989850000000 ] # a - [ 0.000000000000000, 6.881186360000000, 0.000000000000000 ] # b - [ -12.736356570000000, 0.000000000000000, 15.243476440000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.154666930000000, 0.761545340000000, 0.380374030000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.070167500000000, 0.757151730000000, 0.118457200000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.584734670000000, 0.744516800000000, 0.473954740000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.415265330000000, 0.255483200000000, 0.526045260000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 5 coordinates: [ 0.415265330000000, 0.244516800000000, 0.026045260000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.845333070000000, 0.261545340000000, 0.119625970000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 7 coordinates: [ 0.154666930000000, 0.738454660000000, 0.880374030000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.584734670000000, 0.755483200000000, 0.973954740000000 ] mass: 132.905452 reduced_to: 8 - symbol: Cs # 9 coordinates: [ 0.070167500000000, 0.742848270000000, 0.618457200000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 10 coordinates: [ 0.929832500000000, 0.257151730000000, 0.381542800000000 ] mass: 132.905452 reduced_to: 10 - symbol: Cs # 11 coordinates: [ 0.929832500000000, 0.242848270000000, 0.881542800000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 12 coordinates: [ 0.845333070000000, 0.238454660000000, 0.619625970000000 ] mass: 132.905452 reduced_to: 12 - symbol: Nd # 13 coordinates: [ 0.351234510000000, 0.234856800000000, 0.229699630000000 ] mass: 144.242000 reduced_to: 13 - symbol: Nd # 14 coordinates: [ 0.648765490000000, 0.734856800000000, 0.270300370000000 ] mass: 144.242000 reduced_to: 14 - symbol: Nd # 15 coordinates: [ 0.648765490000000, 0.765143200000000, 0.770300370000000 ] mass: 144.242000 reduced_to: 15 - symbol: Nd # 16 coordinates: [ 0.351234510000000, 0.265143200000000, 0.729699630000000 ] mass: 144.242000 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.193687580000000, 0.259122010000000, 0.279393820000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.655240180000000, 0.223212590000000, 0.872106640000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.193687580000000, 0.240877990000000, 0.779393820000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.344759820000000, 0.776787410000000, 0.127893360000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.344759820000000, 0.723212590000000, 0.627893360000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.806312420000000, 0.759122010000000, 0.220606180000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.806312420000000, 0.740877990000000, 0.720606180000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.655240180000000, 0.276787410000000, 0.372106640000000 ] mass: 30.973762 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.111081420000000, 0.264933510000000, 0.327398750000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.557862160000000, 0.249972850000000, 0.908972150000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.750737150000000, 0.031548310000000, 0.406154360000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.249262850000000, 0.968451690000000, 0.593845640000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.294384950000000, 0.013909840000000, 0.320634380000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.298480810000000, 0.495689950000000, 0.318273870000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.762363860000000, 0.511598030000000, 0.430395380000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.544436190000000, 0.159853670000000, 0.739941120000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.903406440000000, 0.745299950000000, 0.854515900000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.096593560000000, 0.254700050000000, 0.145484100000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.237636140000000, 0.011598030000000, 0.069604620000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.096593560000000, 0.245299950000000, 0.645484100000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.442137840000000, 0.750027150000000, 0.091027850000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.557862160000000, 0.250027150000000, 0.408972150000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.762363860000000, 0.988401970000000, 0.930395380000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.701519190000000, 0.995689950000000, 0.181726130000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.111081420000000, 0.235066490000000, 0.827398750000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.249262850000000, 0.531548310000000, 0.093845640000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.442137840000000, 0.749972850000000, 0.591027850000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.294384950000000, 0.486090160000000, 0.820634380000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.903406440000000, 0.754700050000000, 0.354515900000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.298480810000000, 0.004310050000000, 0.818273870000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.750737150000000, 0.468451690000000, 0.906154360000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.888918580000000, 0.764933510000000, 0.172601250000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.705615050000000, 0.513909840000000, 0.179365620000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.544436190000000, 0.340146330000000, 0.239941120000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.455563810000000, 0.840146330000000, 0.260058880000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.705615050000000, 0.986090160000000, 0.679365620000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.888918580000000, 0.735066490000000, 0.672601250000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.455563810000000, 0.659853670000000, 0.760058880000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.237636140000000, 0.488401970000000, 0.569604620000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.701519190000000, 0.504310050000000, 0.681726130000000 ] mass: 32.065000 reduced_to: 56supercell: lattice: - [ 15.263621329999999, 0.000000000000000, -0.010989850000000 ] # a - [ 0.000000000000000, 13.762372720000000, 0.000000000000000 ] # b - [ -12.736356570000000, 0.000000000000000, 15.243476440000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.154666930000000, 0.380772670000000, 0.380374030000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.154666930000000, 0.880772670000000, 0.380374030000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.070167500000000, 0.378575865000000, 0.118457200000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.070167500000000, 0.878575865000000, 0.118457200000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 5 coordinates: [ 0.584734670000000, 0.372258400000000, 0.473954740000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.584734670000000, 0.872258400000000, 0.473954740000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 7 coordinates: [ 0.415265330000000, 0.127741600000000, 0.526045260000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.415265330000000, 0.627741600000000, 0.526045260000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 9 coordinates: [ 0.415265330000000, 0.122258400000000, 0.026045260000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 10 coordinates: [ 0.415265330000000, 0.622258400000000, 0.026045260000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 11 coordinates: [ 0.845333070000000, 0.130772670000000, 0.119625970000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 12 coordinates: [ 0.845333070000000, 0.630772670000000, 0.119625970000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 13 coordinates: [ 0.154666930000000, 0.369227330000000, 0.880374030000000 ] mass: 132.905452 reduced_to: 13 - symbol: Cs # 14 coordinates: [ 0.154666930000000, 0.869227330000000, 0.880374030000000 ] mass: 132.905452 reduced_to: 13 - symbol: Cs # 15 coordinates: [ 0.584734670000000, 0.377741600000000, 0.973954740000000 ] mass: 132.905452 reduced_to: 15 - symbol: Cs # 16 coordinates: [ 0.584734670000000, 0.877741600000000, 0.973954740000000 ] mass: 132.905452 reduced_to: 15 - symbol: Cs # 17 coordinates: [ 0.070167500000000, 0.371424135000000, 0.618457200000000 ] mass: 132.905452 reduced_to: 17 - symbol: Cs # 18 coordinates: [ 0.070167500000000, 0.871424135000000, 0.618457200000000 ] mass: 132.905452 reduced_to: 17 - symbol: Cs # 19 coordinates: [ 0.929832500000000, 0.128575865000000, 0.381542800000000 ] mass: 132.905452 reduced_to: 19 - symbol: Cs # 20 coordinates: [ 0.929832500000000, 0.628575865000000, 0.381542800000000 ] mass: 132.905452 reduced_to: 19 - symbol: Cs # 21 coordinates: [ 0.929832500000000, 0.121424135000000, 0.881542800000000 ] mass: 132.905452 reduced_to: 21 - symbol: Cs # 22 coordinates: [ 0.929832500000000, 0.621424135000000, 0.881542800000000 ] mass: 132.905452 reduced_to: 21 - symbol: Cs # 23 coordinates: [ 0.845333070000000, 0.119227330000000, 0.619625970000000 ] mass: 132.905452 reduced_to: 23 - symbol: Cs # 24 coordinates: [ 0.845333070000000, 0.619227330000000, 0.619625970000000 ] mass: 132.905452 reduced_to: 23 - symbol: Nd # 25 coordinates: [ 0.351234510000000, 0.117428400000000, 0.229699630000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 26 coordinates: [ 0.351234510000000, 0.617428400000000, 0.229699630000000 ] mass: 144.242000 reduced_to: 25 - symbol: Nd # 27 coordinates: [ 0.648765490000000, 0.367428400000000, 0.270300370000000 ] mass: 144.242000 reduced_to: 27 - symbol: Nd # 28 coordinates: [ 0.648765490000000, 0.867428400000000, 0.270300370000000 ] mass: 144.242000 reduced_to: 27 - symbol: Nd # 29 coordinates: [ 0.648765490000000, 0.382571600000000, 0.770300370000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 30 coordinates: [ 0.648765490000000, 0.882571600000000, 0.770300370000000 ] mass: 144.242000 reduced_to: 29 - symbol: Nd # 31 coordinates: [ 0.351234510000000, 0.132571600000000, 0.729699630000000 ] mass: 144.242000 reduced_to: 31 - symbol: Nd # 32 coordinates: [ 0.351234510000000, 0.632571600000000, 0.729699630000000 ] mass: 144.242000 reduced_to: 31 - symbol: P # 33 coordinates: [ 0.193687580000000, 0.129561005000000, 0.279393820000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.193687580000000, 0.629561005000000, 0.279393820000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 35 coordinates: [ 0.655240180000000, 0.111606295000000, 0.872106640000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.655240180000000, 0.611606295000000, 0.872106640000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 37 coordinates: [ 0.193687580000000, 0.120438995000000, 0.779393820000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.193687580000000, 0.620438995000000, 0.779393820000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 39 coordinates: [ 0.344759820000000, 0.388393705000000, 0.127893360000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.344759820000000, 0.888393705000000, 0.127893360000000 ] mass: 30.973762 reduced_to: 39 - 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