[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3_oP16_62_c_cd" } "stoichiometric-species" { "source-value" [ "C" "Fe" ] } "a" { "source-value" 5.5842 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -5.85263 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -23.41052 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.2546291 0.81390351 0.87932363 0.56508101 0.033541127 0.1451726 0.82177991 0.93958604 0.34170749 ] } "library-prototype-label" { "source-value" "AB3_oP16_62_c_cd-001" } "short-name" { "source-value" "Cementite" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB3_oP16_62_c_cd" } "stoichiometric-species" { "source-value" [ "C" "Fe" ] } "a" { "source-value" 5.5842 "source-unit" "angstrom" } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" } "temperature" { "source-value" 0.0 "source-unit" "K" } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.2546291 0.81390351 0.87932363 0.56508101 0.033541127 0.1451726 0.82177991 0.93958604 0.34170749 ] } "library-prototype-label" { "source-value" "AB3_oP16_62_c_cd-001" } "short-name" { "source-value" "Cementite" } } ]