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"prototype-label" { "source-value" "A2B_cP144_224_ij2k_l" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 13.1403 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.31403e-09 } "parameter-names" { "source-value" [ "y1" "y2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.85621958 0.83564875 0.48020694 0.25153519 0.32084464 0.90709946 0.73302631 0.093665115 0.56150703 ] } "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_284121434072_002-and-SM_503555646986_000-1711749133-tr:2" ] } "isothermal-bulk-modulus" { "source-value" -84.99530428136593 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" -84995304281.36594 } } ]