[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A21B8_tI116_88_a5f_2f" } "stoichiometric-species" { "source-value" [ "Al" "Pd" ] } "a" { "source-value" 13.0746 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.30746e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 0.88236734 0.58371897 0.17575618 0.78352695 0.78562394 0.65046184 0.2834759 0.24715619 0.95268974 0.86778824 0.70215693 0.21258744 0.34139676 0.062489322 0.83710703 0.10812146 0.63950837 0.63580917 0.45062669 0.052824557 0.48705025 0.70652674 ] } "binding-potential-energy-per-atom" { "source-value" -3.630913622386235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.817364965859525e-19 } "binding-potential-energy-per-formula" { "source-value" -105.29649504920081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.687035840099262e-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" "A21B8_tI116_88_a5f_2f" } "stoichiometric-species" { "source-value" [ "Al" "Pd" ] } "a" { "source-value" 13.0746 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.30746e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 0.88236734 0.58371897 0.17575618 0.78352695 0.78562394 0.65046184 0.2834759 0.24715619 0.95268974 0.86778824 0.70215693 0.21258744 0.34139676 0.062489322 0.83710703 0.10812146 0.63950837 0.63580917 0.45062669 0.052824557 0.48705025 0.70652674 ] } "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" } } ]