[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC48_15_2e3f_2f" } "stoichiometric-species" { "source-value" [ "O" "P" ] } "a" { "source-value" 6.3417 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.341700000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.96824195 0.69776243 110.6358 0.52442261 0.92782814 0.77405923 0.20638719 0.13952983 0.69990951 0.2870012 0.35262615 0.3920373 0.9962129 0.94627666 0.49351109 0.23846614 0.97619996 0.19850855 0.99652676 0.098754401 ] } "binding-potential-energy-per-atom" { "source-value" -35.62419559490336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.707625378719989e-18 } "binding-potential-energy-per-formula" { "source-value" -106.87258678471008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.712287613615997e-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" "A2B_mC48_15_2e3f_2f" } "stoichiometric-species" { "source-value" [ "O" "P" ] } "a" { "source-value" 6.3417 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.341700000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.96824195 0.69776243 110.6358 0.52442261 0.92782814 0.77405923 0.20638719 0.13952983 0.69990951 0.2870012 0.35262615 0.3920373 0.9962129 0.94627666 0.49351109 0.23846614 0.97619996 0.19850855 0.99652676 0.098754401 ] } "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" } } ]