{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.223168 0.481492 0.343981 ] [ 0.223168 0.018508 0.843981 ] [ 0.776832 0.981492 0.156019 ] [ 0.776832 0.518508 0.656019 ] [ 0.081371 0.21998 0.12065 ] [ 0.081371 0.28002 0.62065 ] [ 0.918629 0.71998 0.37935 ] [ 0.918629 0.78002 0.87935 ] [ 0.417585 0.768767 0.112489 ] [ 0.417585 0.731233 0.612489 ] [ 0.582415 0.268767 0.387511 ] [ 0.582415 0.231233 0.887511 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.22803314 "source-unit" "angstrom" } "b" { "source-value" 4.67462435 "source-unit" "angstrom" } "c" { "source-value" 5.71375716 "source-unit" "angstrom" } "beta" { "source-value" 92.36862119 "source-unit" "degree" } }