[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2BC4_mP14_11_2e_e_4e" } "stoichiometric-species" { "source-value" [ "Al" "Ca" "O" ] } "a" { "source-value" 4.5249 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.5249e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" ] } "parameter-values" { "source-value" [ 0.68229132 1.5260006 79.8892 0.9581561 0.12058303 0.41583329 0.8976455 0.74159027 0.54515898 0.33983002 0.16607108 0.57296504 0.25264427 0.82570907 0.87612348 0.096498322 0.74747735 ] } "binding-potential-energy-per-atom" { "source-value" -16.24050451168986 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.602015685300107e-18 } "binding-potential-energy-per-formula" { "source-value" -113.68353158182902 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821410979710075e-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" "A2BC4_mP14_11_2e_e_4e" } "stoichiometric-species" { "source-value" [ "Al" "Ca" "O" ] } "a" { "source-value" 4.5249 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.5249e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" ] } "parameter-values" { "source-value" [ 0.68229132 1.5260006 79.8892 0.9581561 0.12058303 0.41583329 0.8976455 0.74159027 0.54515898 0.33983002 0.16607108 0.57296504 0.25264427 0.82570907 0.87612348 0.096498322 0.74747735 ] } "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" } } ]