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"prototype-label" { "source-value" "A2B_hP18_194_gh_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 9.0786 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.0786e-10 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" ] } "parameter-values" { "source-value" [ 0.57570551 0.75841026 0.55628843 ] } "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_320916973794_002-and-SM_282799919035_000-1711749566-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 612.4769920945122 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 612476992094.5122 } } ]