[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_oC12_65_acg_h" } "stoichiometric-species" { "source-value" [ "Al" "Ti" ] } "a" { "source-value" 12.0637 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.20637e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x3" "x4" ] } "parameter-values" { "source-value" [ 0.32213997 0.29305271 0.62974539 0.83699902 ] } "binding-potential-energy-per-atom" { "source-value" -14.881841502691588 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.384333872650391e-18 } "binding-potential-energy-per-formula" { "source-value" -44.645524508074764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.153001617951173e-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_oC12_65_acg_h" } "stoichiometric-species" { "source-value" [ "Al" "Ti" ] } "a" { "source-value" 12.0637 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.20637e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x3" "x4" ] } "parameter-values" { "source-value" [ 0.32213997 0.29305271 0.62974539 0.83699902 ] } "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" } } ]