[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B7C2_mP44_14_2e_7e_2e" } "stoichiometric-species" { "source-value" [ "Ce" "O" "Si" ] } "a" { "source-value" 11.0041 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.10041e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "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" ] } "parameter-values" { "source-value" [ 0.63946166 1.0491908 152.1611 0.41951103 0.093201851 0.14236308 0.039735104 0.24901149 0.56797446 0.61877004 0.46360175 0.60448519 0.32298609 0.96853931 0.35906664 0.53309165 0.95311063 0.59722722 0.52187309 0.87791912 0.48351752 0.12537889 0.93889509 0.26428504 0.096966276 0.82113763 0.32700441 0.6733795 0.5403306 0.034577942 0.34717294 0.75019876 0.44328895 0.93802539 0.5800809 0.16411225 ] } "binding-potential-energy-per-atom" { "source-value" -26.56667994640259 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.25645138530826e-18 } "binding-potential-energy-per-formula" { "source-value" -292.2334794104285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.682096523839086e-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" "A2B7C2_mP44_14_2e_7e_2e" } "stoichiometric-species" { "source-value" [ "Ce" "O" "Si" ] } "a" { "source-value" 11.0041 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.10041e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "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" ] } "parameter-values" { "source-value" [ 0.63946166 1.0491908 152.1611 0.41951103 0.093201851 0.14236308 0.039735104 0.24901149 0.56797446 0.61877004 0.46360175 0.60448519 0.32298609 0.96853931 0.35906664 0.53309165 0.95311063 0.59722722 0.52187309 0.87791912 0.48351752 0.12537889 0.93889509 0.26428504 0.096966276 0.82113763 0.32700441 0.6733795 0.5403306 0.034577942 0.34717294 0.75019876 0.44328895 0.93802539 0.5800809 0.16411225 ] } "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" } } ]