[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_mC20_12_a2i_d2i" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 9.6414 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -7.43145 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -14.8629 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.44098367 0.62935881 72.0923 0.67646583 0.64517038 0.68264248 0.17194674 0.83966389 0.82181901 0.85923498 0.33298272 ] } "library-prototype-label" { "source-value" "AB_mC20_12_b2i_c2i-001" } "short-name" { "source-value" "OTi, ICSD #56694" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB_mC20_12_a2i_d2i" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 9.6414 "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" "beta" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.44098367 0.62935881 72.0923 0.67646583 0.64517038 0.68264248 0.17194674 0.83966389 0.82181901 0.85923498 0.33298272 ] } "library-prototype-label" { "source-value" "AB_mC20_12_b2i_c2i-001" } "short-name" { "source-value" "OTi, ICSD #56694" } } ]