[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B2_oC20_63_cg_g" } "stoichiometric-species" { "source-value" [ "Pd" "Ti" ] } "a" { "source-value" 15.0948 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.50948e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "x2" "y2" "x3" "y3" ] } "parameter-values" { "source-value" [ 0.32175319 0.31011342 0.31469383 0.29292521 0.81968808 0.39725692 0.30551513 ] } "binding-potential-energy-per-atom" { "source-value" -10.318270241341391 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.653169148397472e-18 } "binding-potential-energy-per-formula" { "source-value" -51.59135120670696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.26584574198736e-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" "A3B2_oC20_63_cg_g" } "stoichiometric-species" { "source-value" [ "Pd" "Ti" ] } "a" { "source-value" 15.0948 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.50948e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "x2" "y2" "x3" "y3" ] } "parameter-values" { "source-value" [ 0.32175319 0.31011342 0.31469383 0.29292521 0.81968808 0.39725692 0.30551513 ] } "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" } } ]