[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B2_mC14_5_a2c_c" } "stoichiometric-species" { "source-value" [ "O" "Ta" ] } "a" { "source-value" 6.1267 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -8.89788 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -62.285160000000005 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.85049048 1.0000163 122.7679 0.22271538 0.28522316 0.43770237 0.45889953 0.77817394 0.79213236 0.85336066 0.6019716 0.46330757 0.79370775 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5B2_mC14_5_a2c_c" } "stoichiometric-species" { "source-value" [ "O" "Ta" ] } "a" { "source-value" 6.1267 "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" "y1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.85049048 1.0000163 122.7679 0.22271538 0.28522316 0.43770237 0.45889953 0.77817394 0.79213236 0.85336066 0.6019716 0.46330757 0.79370775 ] } } ]