{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.630884 0.25 ] [ 0 0.369116 0.75 ] [ 0.5 0.130884 0.25 ] [ 0.5 0.869116 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.190995 0.25 ] [ 0 0.809005 0.75 ] [ 0.5 0.690995 0.25 ] [ 0.5 0.309005 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.36501947464 "source-unit" "angstrom" } "b" { "source-value" 8.79711733944 "source-unit" "angstrom" } "c" { "source-value" 7.20388273 "source-unit" "angstrom" } }