{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.771822 0 0.191832 ] [ 0.228178 0 0.808168 ] [ 0.271822 0.5 0.191832 ] [ 0.728178 0.5 0.808168 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.145358 0.5 0.535771 ] [ 0.947685 0 0.796661 ] [ 0.052315 0 0.203339 ] [ 0.854642 0.5 0.464229 ] [ 0.645358 0 0.535771 ] [ 0.447685 0.5 0.796661 ] [ 0.552315 0.5 0.203339 ] [ 0.354642 0 0.464229 ] [ 0.827442 0.5 0.063006 ] [ 0.172558 0.5 0.936994 ] [ 0.327442 0 0.063006 ] [ 0.672558 0 0.936994 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cr" "Cr" "Cr" "Cr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.5416066535 "source-unit" "angstrom" } "b" { "source-value" 3.92621027531 "source-unit" "angstrom" } "c" { "source-value" 8.39456351971 "source-unit" "angstrom" } "beta" { "source-value" 90.4856087706 "source-unit" "degree" } }