[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tI24_141_2e_e" } "stoichiometric-species" { "source-value" [ "Al" "Ti" ] } "a" { "source-value" 4.0018 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.001800000000001e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" ] } "parameter-values" { "source-value" [ 5.8087111 0.12145115 0.28858345 0.949976 ] } "binding-potential-energy-per-atom" { "source-value" -4.454691946344291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.137203348100805e-19 } "binding-potential-energy-per-formula" { "source-value" -13.364075839032875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.141161004430242e-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" "A2B_tI24_141_2e_e" } "stoichiometric-species" { "source-value" [ "Al" "Ti" ] } "a" { "source-value" 4.0018 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.001800000000001e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" ] } "parameter-values" { "source-value" [ 5.8087111 0.12145115 0.28858345 0.949976 ] } "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" } } ]