[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC24_12_4i_2i" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 15.0442 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.50442e-09 } "binding-potential-energy-per-atom" { "source-value" -6.655856056466128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.066385705293741e-18 } "binding-potential-energy-per-formula" { "source-value" -19.967568169398383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.199157115881224e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.25288816 0.43164143 128.5589 0.35880518 0.72476524 0.75837672 0.87284523 0.55893922 0.74753597 0.86346066 0.42958587 0.29551713 0.90600604 0.60329647 0.51261908 ] } "library-prototype-label" { "source-value" "A2B_mC24_12_4i_2i-003" } "short-name" { "source-value" "metal-oxide; O2V1, ICSD #73855" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mC24_12_4i_2i" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 15.0442 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.50442e-09 } "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" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.25288816 0.43164143 128.5589 0.35880518 0.72476524 0.75837672 0.87284523 0.55893922 0.74753597 0.86346066 0.42958587 0.29551713 0.90600604 0.60329647 0.51261908 ] } "library-prototype-label" { "source-value" "A2B_mC24_12_4i_2i-003" } "short-name" { "source-value" "metal-oxide; O2V1, ICSD #73855" } } ]