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"prototype-label" { "source-value" "A2B_hP36_181_fhij_k" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.0633 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.0633e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "x2" "x3" "x4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.9000467 0.80420176 0.79853584 0.80409149 0.61136626 0.58815942 0.76795645 0.45173237 ] } "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_823047887760_002-and-SM_503555646986_000-1711749802-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 100.85079465516282 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 100850794655.1628 } } ]