[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B3_hR15_148_f_acf" } "stoichiometric-species" { "source-value" [ "Pd" "Y" ] } "a" { "source-value" 8.663621 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.663620999999999e-10 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 1.9080515 0.79608335 0.15334072 0.95153416 0.59479851 0.3480905 0.59511879 0.84340243 ] } "binding-potential-energy-per-atom" { "source-value" -5.010325943509902 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.027427155415569e-19 } "binding-potential-energy-per-formula" { "source-value" -25.05162971754951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.013713577707784e-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" "A2B3_hR15_148_f_acf" } "stoichiometric-species" { "source-value" [ "Pd" "Y" ] } "a" { "source-value" 8.663621 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.663620999999999e-10 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 1.9080515 0.79608335 0.15334072 0.95153416 0.59479851 0.3480905 0.59511879 0.84340243 ] } "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" } } ]