[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A7B2C_tP40_128_egi_h_e" } "stoichiometric-species" { "source-value" [ "Al" "Cu" "Fe" ] } "a" { "source-value" 6.646 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.646000000000001e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "x3" "x4" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.518703 0.12249242 0.36949174 0.17130294 0.31586536 0.15994751 0.12792997 0.3804942 0.13121917 ] } "binding-potential-energy-per-atom" { "source-value" -16.984017416507918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.721139585617803e-18 } "binding-potential-energy-per-formula" { "source-value" -169.8401741650792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.721139585617803e-17 } "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" "A7B2C_tP40_128_egi_h_e" } "stoichiometric-species" { "source-value" [ "Al" "Cu" "Fe" ] } "a" { "source-value" 6.646 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.646000000000001e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "x3" "x4" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.518703 0.12249242 0.36949174 0.17130294 0.31586536 0.15994751 0.12792997 0.3804942 0.13121917 ] } "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" } } ]