[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A4B_tP20_84_afjk_j" } "stoichiometric-species" { "source-value" [ "Cu" "Pd" ] } "a" { "source-value" 5.7688 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.7688e-10 } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "x4" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.2651331 0.19515054 0.6032485 0.39889993 0.20460475 0.098422105 0.29884645 0.2496724 ] } "binding-potential-energy-per-atom" { "source-value" -3.607690672332468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.78015769791083e-19 } "binding-potential-energy-per-formula" { "source-value" -18.03845336166234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.890078848955415e-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" "A4B_tP20_84_afjk_j" } "stoichiometric-species" { "source-value" [ "Cu" "Pd" ] } "a" { "source-value" 5.7688 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.7688e-10 } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "x4" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.2651331 0.19515054 0.6032485 0.39889993 0.20460475 0.098422105 0.29884645 0.2496724 ] } "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" } } ]