[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_mC16_8_2ab_2ab" } "stoichiometric-species" { "source-value" [ "Cu" "Zr" ] } "a" { "source-value" 6.4792 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.4792e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.3328497 1.1083776 133.0156 0.43206865 0.54676851 0.86620777 0.53686169 0.0048901336 0.010061674 0.48198806 0.98653476 0.11368797 0.75065256 0.82463679 0.02140122 0.76166153 0.37053138 ] } "binding-potential-energy-per-atom" { "source-value" -4.934814936750422 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.906445184775714e-19 } "binding-potential-energy-per-formula" { "source-value" -9.869629873500845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.581289036955143e-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_mC16_8_2ab_2ab" } "stoichiometric-species" { "source-value" [ "Cu" "Zr" ] } "a" { "source-value" 6.4792 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.4792e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.3328497 1.1083776 133.0156 0.43206865 0.54676851 0.86620777 0.53686169 0.0048901336 0.010061674 0.48198806 0.98653476 0.11368797 0.75065256 0.82463679 0.02140122 0.76166153 0.37053138 ] } "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" } } ]