[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B2_oP7_47_afgj_bc" } "stoichiometric-species" { "source-value" [ "O" "Ta" ] } "a" { "source-value" 6.2695 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.2695e-10 } "binding-potential-energy-per-atom" { "source-value" -7.131249576165864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.142552144215535e-18 } "binding-potential-energy-per-formula" { "source-value" -49.91874703316105 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.997865009508744e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "x6" ] } "parameter-values" { "source-value" [ 0.6342292 0.60242444 0.67368011 ] } "library-prototype-label" { "source-value" "A5B2_oP7_47_behq_ad-001" } "short-name" { "source-value" "metal-oxide; O5Ta2, ICSD #95462" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5B2_oP7_47_afgj_bc" } "stoichiometric-species" { "source-value" [ "O" "Ta" ] } "a" { "source-value" 6.2695 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.2695e-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" "x6" ] } "parameter-values" { "source-value" [ 0.6342292 0.60242444 0.67368011 ] } "library-prototype-label" { "source-value" "A5B2_oP7_47_behq_ad-001" } "short-name" { "source-value" "metal-oxide; O5Ta2, ICSD #95462" } } ]