{ "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" [ [ 0.313403 0.769826 0.660141 ] [ 0.813403 0.730174 0.660141 ] [ 0.186597 0.269826 0.339859 ] [ 0.686597 0.230174 0.339859 ] [ 0.061169 0.388274 0.025356 ] [ 0.561169 0.111726 0.025356 ] [ 0.438831 0.888274 0.974644 ] [ 0.938831 0.611726 0.974644 ] [ 0.084833 0.74863 0.713435 ] [ 0.584833 0.75137 0.713435 ] [ 0.297946 0.26685 0.619687 ] [ 0.797946 0.23315 0.619687 ] [ 0.202054 0.76685 0.380313 ] [ 0.702054 0.73315 0.380313 ] [ 0.415167 0.24863 0.286565 ] [ 0.915167 0.25137 0.286565 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "F" "F" "F" "F" "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" 7.58036933 "source-unit" "angstrom" } "b" { "source-value" 4.00263227 "source-unit" "angstrom" } "c" { "source-value" 7.90607531 "source-unit" "angstrom" } "beta" { "source-value" 112.57410996 "source-unit" "degree" } }