[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A21B8_aP29_2_a10i_4i" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 6.4261 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -4.15669 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -120.54401 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" ] } "parameter-values" { "source-value" [ 1.2435069 1.3213924 75.4139 68.083 75.2667 0.099540252 0.28170712 0.84649221 0.11813965 0.55598039 0.34904489 0.13574087 0.21201089 0.34301696 0.30370158 0.24433286 0.54178344 0.31549768 0.098317898 0.03741441 0.31818846 0.74322189 0.048109427 0.4840127 0.70837867 0.27552444 0.48514104 0.38368075 0.24393599 0.71413811 0.11281404 0.47104911 0.9017931 0.24222573 0.1525458 0.069634681 0.90329251 0.31415188 0.2507955 0.43581667 0.034245221 0.24636765 0.55852943 0.60794556 0.56706413 0.038312977 0.24666593 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A21B8_aP29_2_a10i_4i" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 6.4261 "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" "alpha" "beta" "gamma" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" ] } "parameter-values" { "source-value" [ 1.2435069 1.3213924 75.4139 68.083 75.2667 0.099540252 0.28170712 0.84649221 0.11813965 0.55598039 0.34904489 0.13574087 0.21201089 0.34301696 0.30370158 0.24433286 0.54178344 0.31549768 0.098317898 0.03741441 0.31818846 0.74322189 0.048109427 0.4840127 0.70837867 0.27552444 0.48514104 0.38368075 0.24393599 0.71413811 0.11281404 0.47104911 0.9017931 0.24222573 0.1525458 0.069634681 0.90329251 0.31415188 0.2507955 0.43581667 0.034245221 0.24636765 0.55852943 0.60794556 0.56706413 0.038312977 0.24666593 ] } } ]