[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_oC8_63_c_c" } "stoichiometric-species" { "source-value" [ "Ca" "Zn" ] } "a" { "source-value" 3.807 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.807e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" ] } "parameter-values" { "source-value" [ 2.6768584 1.0337536 0.14937107 0.43432263 ] } "library-prototype-label" { "source-value" "AB_oC8_63_c_c-001" } "short-name" { "source-value" [ "CrB" ] } "binding-potential-energy-per-atom" { "source-value" -1.2253982220148274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.963304398657301e-19 } "binding-potential-energy-per-formula" { "source-value" -2.450796444029655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.926608797314601e-19 } "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" "AB_oC8_63_c_c" } "stoichiometric-species" { "source-value" [ "Ca" "Zn" ] } "a" { "source-value" 3.807 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.807e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" ] } "parameter-values" { "source-value" [ 2.6768584 1.0337536 0.14937107 0.43432263 ] } "library-prototype-label" { "source-value" "AB_oC8_63_c_c-001" } "short-name" { "source-value" [ "CrB" ] } "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" } } ]