[ { "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" 5.2264 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.2264e-10 } "binding-potential-energy-per-atom" { "source-value" -4.995905074446138 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.004322375959632e-19 } "binding-potential-energy-per-formula" { "source-value" -19.98362029778455 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.201728950383853e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.2857416 0.82173198 0.87986478 0.57409213 0.038196627 0.14328865 0.82196774 0.93593587 0.34534492 ] } "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" 5.2264 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.2264e-10 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.2857416 0.82173198 0.87986478 0.57409213 0.038196627 0.14328865 0.82196774 0.93593587 0.34534492 ] } "library-prototype-label" { "source-value" "AB3_oP16_62_c_cd-001" } "short-name" { "source-value" "Cementite" } } ]