[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B_oP16_62_cd_c" } "stoichiometric-species" { "source-value" [ "Al" "Ni" ] } "a" { "source-value" 6.6011 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.6011e-10 } "binding-potential-energy-per-atom" { "source-value" -5.479836096913604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.779665352624735e-19 } "binding-potential-energy-per-formula" { "source-value" -21.919344387654416 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.511866141049894e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.0898184 0.70244353 0.016081461 0.40996464 0.36628615 0.56134414 0.8321136 0.93914936 0.12531915 ] } "library-prototype-label" { "source-value" "AB3_oP16_62_c_cd-002" } "short-name" { "source-value" "metal-nitride; N1Na3, ICSD #165990" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A3B_oP16_62_cd_c" } "stoichiometric-species" { "source-value" [ "Al" "Ni" ] } "a" { "source-value" 6.6011 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.6011e-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" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.0898184 0.70244353 0.016081461 0.40996464 0.36628615 0.56134414 0.8321136 0.93914936 0.12531915 ] } "library-prototype-label" { "source-value" "AB3_oP16_62_c_cd-002" } "short-name" { "source-value" "metal-nitride; N1Na3, ICSD #165990" } } ]