[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC72_12_eg2i4j_3j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 10.1716 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.01716e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 1.4763066 1.1074855 132.8191 0.25080857 0.14486928 0.23543063 0.53398614 0.76023711 0.4509344 0.16590236 0.77010577 0.041673286 0.16342997 0.22107634 0.83762994 0.63067543 0.28085455 0.32923946 0.096989384 0.49775112 0.46004238 0.75046763 0.11286029 0.49139223 0.0987299 0.68902977 0.70870905 0.59872825 0.30719977 ] } "binding-potential-energy-per-atom" { "source-value" -6.5111695306743975 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.043204368205927e-18 } "binding-potential-energy-per-formula" { "source-value" -19.533508592023193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.12961310461778e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mC72_12_eg2i4j_3j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 10.1716 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.01716e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 1.4763066 1.1074855 132.8191 0.25080857 0.14486928 0.23543063 0.53398614 0.76023711 0.4509344 0.16590236 0.77010577 0.041673286 0.16342997 0.22107634 0.83762994 0.63067543 0.28085455 0.32923946 0.096989384 0.49775112 0.46004238 0.75046763 0.11286029 0.49139223 0.0987299 0.68902977 0.70870905 0.59872825 0.30719977 ] } "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" } } ]