[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_mC48_15_3f_3f" } "stoichiometric-species" { "source-value" [ "Mg" "O" ] } "a" { "source-value" 14.9503 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.49503e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.57556036 0.37474164 89.9381 0.28006941 0.60011822 0.42494748 0.43304207 0.89360663 0.42738924 0.33918596 0.77772451 0.92534646 0.43328543 0.89286696 0.072663425 0.28046476 0.59987249 0.074637724 0.33943155 0.77696986 0.57490403 ] } "binding-potential-energy-per-atom" { "source-value" -13.5167364720547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.165619934346163e-18 } "binding-potential-energy-per-formula" { "source-value" -27.0334729441094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.331239868692326e-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" "AB_mC48_15_3f_3f" } "stoichiometric-species" { "source-value" [ "Mg" "O" ] } "a" { "source-value" 14.9503 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.49503e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.57556036 0.37474164 89.9381 0.28006941 0.60011822 0.42494748 0.43304207 0.89360663 0.42738924 0.33918596 0.77772451 0.92534646 0.43328543 0.89286696 0.072663425 0.28046476 0.59987249 0.074637724 0.33943155 0.77696986 0.57490403 ] } "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" } } ]