[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB2_tI12_140_a_h" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 6.4759 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.4759e-10 } "binding-potential-energy-per-atom" { "source-value" -6.1626067987896045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.873584617550242e-19 } "binding-potential-energy-per-formula" { "source-value" -18.487820396368814 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.962075385265073e-18 } "parameter-names" { "source-value" [ "c/a" "x2" ] } "parameter-values" { "source-value" [ 0.82581572 0.83167006 ] } "library-prototype-label" { "source-value" "A2B_tI12_140_h_a-001" } "short-name" { "source-value" "Khatyrkite" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB2_tI12_140_a_h" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 6.4759 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.4759e-10 } "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 } "parameter-names" { "source-value" [ "c/a" "x2" ] } "parameter-values" { "source-value" [ 0.82581572 0.83167006 ] } "library-prototype-label" { "source-value" "A2B_tI12_140_h_a-001" } "short-name" { "source-value" "Khatyrkite" } } ]