{ "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" [ [ 0.666196 0 0.322044 ] [ 0.333804 0 0.677956 ] [ 0.166196 0.5 0.322044 ] [ 0.833804 0.5 0.677956 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.900683 0.247654 0.201144 ] [ 0.099317 0.247654 0.798856 ] [ 0.099317 0.752346 0.798856 ] [ 0.900683 0.752346 0.201144 ] [ 0.400683 0.747654 0.201144 ] [ 0.599317 0.747654 0.798856 ] [ 0.599317 0.252346 0.798856 ] [ 0.400683 0.252346 0.201144 ] [ 0.11634 0 0.233905 ] [ 0.88366 0 0.766095 ] [ 0.61634 0.5 0.233905 ] [ 0.38366 0.5 0.766095 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "U" "U" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 12.2623648702 "source-unit" "angstrom" } "b" { "source-value" 7.8457552248 "source-unit" "angstrom" } "c" { "source-value" 5.95762566094 "source-unit" "angstrom" } "beta" { "source-value" 100.040226823 "source-unit" "degree" } }