[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB2_tP6_136_a_f" } "stoichiometric-species" { "source-value" [ "N" "Ti" ] } "a" { "source-value" 5.452 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.452e-10 } "binding-potential-energy-per-atom" { "source-value" -14.121373206821461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.262493419196299e-18 } "binding-potential-energy-per-formula" { "source-value" -42.364119620464386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.787480257588898e-18 } "parameter-names" { "source-value" [ "c/a" "x2" ] } "parameter-values" { "source-value" [ 0.57496332 0.28984364 ] } "library-prototype-label" { "source-value" "A2B_tP6_136_f_a-002" } "short-name" { "source-value" "metal-oxide; O2W1, ICSD #647647" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB2_tP6_136_a_f" } "stoichiometric-species" { "source-value" [ "N" "Ti" ] } "a" { "source-value" 5.452 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.452e-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" [ "c/a" "x2" ] } "parameter-values" { "source-value" [ 0.57496332 0.28984364 ] } "library-prototype-label" { "source-value" "A2B_tP6_136_f_a-002" } "short-name" { "source-value" "metal-oxide; O2W1, ICSD #647647" } } ]