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"prototype-label" { "source-value" "A2B_hP18_179_ab_b" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.2655 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.2655e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" ] } "parameter-values" { "source-value" [ 0.96473746 0.68707189 0.39044618 0.76702845 ] } "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_916589717491_002-and-SM_422553794879_000-1711749538-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 36.14001134216541 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 36140011342.16541 } } ]