[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_hR72_148_8f_4f" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 13.794229 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -7.84327 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -23.52981 "source-unit" "eV" } "parameter-names" { "source-value" [ "c/a" "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" "x12" "y12" "z12" ] } "parameter-values" { "source-value" [ 1.434787 0.85893138 0.22979394 0.11991875 0.75467824 0.29022042 0.40040932 0.73596048 0.94768126 0.89719171 0.75960952 0.041023857 0.33359589 0.84471815 0.51843482 0.43865797 0.70571111 0.44872596 0.061254388 0.98092357 0.34918425 0.28372019 0.61326156 0.24118526 0.21965969 0.99737508 0.23783748 0.17967101 0.67143124 0.18054872 0.35784479 0.88150258 0.36337612 0.41793163 0.71060037 0.28965427 0.090649953 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_hR72_148_8f_4f" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 13.794229 "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" [ "c/a" "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" "x12" "y12" "z12" ] } "parameter-values" { "source-value" [ 1.434787 0.85893138 0.22979394 0.11991875 0.75467824 0.29022042 0.40040932 0.73596048 0.94768126 0.89719171 0.75960952 0.041023857 0.33359589 0.84471815 0.51843482 0.43865797 0.70571111 0.44872596 0.061254388 0.98092357 0.34918425 0.28372019 0.61326156 0.24118526 0.21965969 0.99737508 0.23783748 0.17967101 0.67143124 0.18054872 0.35784479 0.88150258 0.36337612 0.41793163 0.71060037 0.28965427 0.090649953 ] } } ]