[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A4B3_hR14_148_abf_f" } "stoichiometric-species" { "source-value" [ "Pd" "Y" ] } "a" { "source-value" 13.918036 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.3918036e-09 } "binding-potential-energy-per-atom" { "source-value" -15.41519293393144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.469786192734686e-18 } "binding-potential-energy-per-formula" { "source-value" -107.90635053752008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.72885033491428e-17 } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.43955316 0.22995566 0.5539592 0.075798128 0.39140724 0.2672757 0.0044298455 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A4B3_hR14_148_abf_f" } "stoichiometric-species" { "source-value" [ "Pd" "Y" ] } "a" { "source-value" 13.918036 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.3918036e-09 } "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 } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.43955316 0.22995566 0.5539592 0.075798128 0.39140724 0.2672757 0.0044298455 ] } } ]