[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3_tI16_139_e_cde" } "stoichiometric-species" { "source-value" [ "Mn" "Pd" ] } "a" { "source-value" 3.889 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.889e-10 } "parameter-names" { "source-value" [ "c/a" "z3" "z4" ] } "parameter-values" { "source-value" [ 4.0193623 0.87776892 0.62614398 ] } "binding-potential-energy-per-atom" { "source-value" -4.299404486459356 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.888405408319949e-19 } "binding-potential-energy-per-formula" { "source-value" -17.197617945837425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.75536216332798e-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" "AB3_tI16_139_e_cde" } "stoichiometric-species" { "source-value" [ "Mn" "Pd" ] } "a" { "source-value" 3.889 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.889e-10 } "parameter-names" { "source-value" [ "c/a" "z3" "z4" ] } "parameter-values" { "source-value" [ 4.0193623 0.87776892 0.62614398 ] } "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" } } ]