[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A10B7_oC68_64_f2g_adef" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 12.9712 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.29712e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "y3" "y4" "z4" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.74631491 0.74711669 0.27441645 0.27144981 0.088656014 0.41903042 0.29765119 0.21472 0.6267898 0.53360355 0.23561793 0.87141613 0.76500775 0.011497859 ] } "binding-potential-energy-per-atom" { "source-value" -19.548099508805855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.131950827211562e-18 } "binding-potential-energy-per-formula" { "source-value" -332.31769164969955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.324316406259655e-17 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A10B7_oC68_64_f2g_adef" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 12.9712 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.29712e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "y3" "y4" "z4" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.74631491 0.74711669 0.27441645 0.27144981 0.088656014 0.41903042 0.29765119 0.21472 0.6267898 0.53360355 0.23561793 0.87141613 0.76500775 0.011497859 ] } "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 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]