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"prototype-label" { "source-value" "A2B_cF12_225_c_a" } "stoichiometric-species" { "source-value" [ "Ca" "Si" ] } "a" { "source-value" 12.5076 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.25076e-09 } "library-prototype-label" { "source-value" "AB2_cF12_225_a_c" } "short-name" { "source-value" [ "CaF2" ] } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "coordinates-file" { "source-value" "instance-2.poscar" } "crystal-genome-source-structure-id" { "source-value" [ "TE_212067183615_002-and-SM_154093256665_000-1711747978-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 1.809240692828399 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 1809240692.828399 } } ]