[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB5_oP24_62_c_5c" } "stoichiometric-species" { "source-value" [ "Al" "Pd" ] } "a" { "source-value" 10.9908 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.09908e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.35739892 0.74606944 0.075244554 0.10011203 0.30731129 0.75986313 0.050308893 0.77496591 0.33053465 0.43516605 0.063789142 0.41631002 0.31162234 0.094484133 ] } "binding-potential-energy-per-atom" { "source-value" -5.448448573874288 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.729376996612007e-19 } "binding-potential-energy-per-formula" { "source-value" -32.690691443245726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.237626197967204e-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" "AB5_oP24_62_c_5c" } "stoichiometric-species" { "source-value" [ "Al" "Pd" ] } "a" { "source-value" 10.9908 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.09908e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.35739892 0.74606944 0.075244554 0.10011203 0.30731129 0.75986313 0.050308893 0.77496591 0.33053465 0.43516605 0.063789142 0.41631002 0.31162234 0.094484133 ] } "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" } } ]