[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_oC8_63_c_c" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 3.0601 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0601e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" ] } "parameter-values" { "source-value" [ 3.2322146 1.3682559 0.42703236 0.15527707 ] } "binding-potential-energy-per-atom" { "source-value" -5.989300390867361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.59591714025475e-19 } "binding-potential-energy-per-formula" { "source-value" -11.978600781734722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.91918342805095e-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_oC8_63_c_c" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 3.0601 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0601e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" ] } "parameter-values" { "source-value" [ 3.2322146 1.3682559 0.42703236 0.15527707 ] } "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" } } ]