[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_cP2_221_a_b" } "stoichiometric-species" { "source-value" [ "Ni" "Ti" ] } "a" { "source-value" 2.9994 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.9994e-10 } "library-prototype-label" { "source-value" "AB_cP2_221_b_a" } "short-name" { "source-value" [ "CsCl" ] } "binding-potential-energy-per-atom" { "source-value" -5.051846314183916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093950123144492e-19 } "binding-potential-energy-per-formula" { "source-value" -10.103692628367831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.618790024628898e-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_cP2_221_a_b" } "stoichiometric-species" { "source-value" [ "Ni" "Ti" ] } "a" { "source-value" 2.9994 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.9994e-10 } "library-prototype-label" { "source-value" "AB_cP2_221_b_a" } "short-name" { "source-value" [ "CsCl" ] } "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" } } ]