[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B3_oC32_63_c2f_cf" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 3.8458 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -8.00979 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -64.07832 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" "y3" "z3" "y4" "z4" "y5" "z5" ] } "parameter-values" { "source-value" [ 2.630402 2.6638931 0.28043604 0.70069426 0.81678213 0.43386671 0.44772365 0.61994119 0.37125094 0.43976338 ] } "library-prototype-label" { "source-value" "A5B3_oC32_63_c2f_cf-002" } "short-name" { "source-value" "metal-nitride; N5Ta3, ICSD #66533" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5B3_oC32_63_c2f_cf" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 3.8458 "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" "y1" "y2" "y3" "z3" "y4" "z4" "y5" "z5" ] } "parameter-values" { "source-value" [ 2.630402 2.6638931 0.28043604 0.70069426 0.81678213 0.43386671 0.44772365 0.61994119 0.37125094 0.43976338 ] } "library-prototype-label" { "source-value" "A5B3_oC32_63_c2f_cf-002" } "short-name" { "source-value" "metal-nitride; N5Ta3, ICSD #66533" } } ]