[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B5_oP16_55_ah_cgh" } "stoichiometric-species" { "source-value" [ "Al" "Pd" ] } "a" { "source-value" 5.1623 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.1623e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x3" "y3" "x4" "y4" "x5" "y5" ] } "parameter-values" { "source-value" [ 1.99661 0.71206633 0.016028377 0.75364568 0.75749267 0.62426578 0.76460584 0.8795013 ] } "binding-potential-energy-per-atom" { "source-value" -14.234659527608374 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.280643888807961e-18 } "binding-potential-energy-per-formula" { "source-value" -113.87727622086699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.824515111046369e-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" "A3B5_oP16_55_ah_cgh" } "stoichiometric-species" { "source-value" [ "Al" "Pd" ] } "a" { "source-value" 5.1623 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.1623e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x3" "y3" "x4" "y4" "x5" "y5" ] } "parameter-values" { "source-value" [ 1.99661 0.71206633 0.016028377 0.75364568 0.75749267 0.62426578 0.76460584 0.8795013 ] } "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" } } ]