[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB2_tI12_141_a_e" } "stoichiometric-species" { "source-value" [ "N" "Ti" ] } "a" { "source-value" 4.1524 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.1524e-10 } "binding-potential-energy-per-atom" { "source-value" -6.0817993883849475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.744116872745853e-19 } "binding-potential-energy-per-formula" { "source-value" -18.245398165154842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.923235061823756e-18 } "parameter-names" { "source-value" [ "c/a" "z2" ] } "parameter-values" { "source-value" [ 2.1505635 0.63865685 ] } "library-prototype-label" { "source-value" "AB2_tI12_141_a_e-001" } "short-name" { "source-value" "metal-nitride; N1Ti2, ICSD #23403" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB2_tI12_141_a_e" } "stoichiometric-species" { "source-value" [ "N" "Ti" ] } "a" { "source-value" 4.1524 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.1524e-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" "z2" ] } "parameter-values" { "source-value" [ 2.1505635 0.63865685 ] } "library-prototype-label" { "source-value" "AB2_tI12_141_a_e-001" } "short-name" { "source-value" "metal-nitride; N1Ti2, ICSD #23403" } } ]