[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B2_oP20_62_3c_2c" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 7.9646 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -7.80167 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -39.00835 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" ] } "parameter-values" { "source-value" [ 0.36477664 1.0444592 0.058557388 0.12451194 0.87860013 0.44670662 0.20619517 0.8103059 0.96855134 0.68320077 0.80421105 0.019597022 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A3B2_oP20_62_3c_2c" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 7.9646 "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" "z3" "x4" "z4" "x5" "z5" ] } "parameter-values" { "source-value" [ 0.36477664 1.0444592 0.058557388 0.12451194 0.87860013 0.44670662 0.20619517 0.8103059 0.96855134 0.68320077 0.80421105 0.019597022 ] } } ]