{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.678642 0 0.760948 ] [ 0.846375 0.5 0.23061 ] [ 0.153625 0.5 0.76939 ] [ 0.321358 0 0.239052 ] ] } "species" { "source-value" [ "Zr" "Ti" "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" 6.39784586897 "source-unit" "angstrom" } "b" { "source-value" 3.67942952 "source-unit" "angstrom" } "c" { "source-value" 6.66076573951 "source-unit" "angstrom" } "beta" { "source-value" 90.2123727417 "source-unit" "degree" } }