{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.903192 0.284791 0.810755 ] [ 0.403192 0.215209 0.310755 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.096808 0.715209 0.189245 ] [ 0.596808 0.784791 0.689245 ] [ 0.403192 0.784791 0.810755 ] [ 0.903192 0.715209 0.310755 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.596808 0.215209 0.189245 ] [ 0.096808 0.284791 0.689245 ] [ 0 0.921931 0.75 ] [ 0 0.078069 0.25 ] [ 0.5 0.421931 0.75 ] [ 0.5 0.578069 0.25 ] [ 0.864915 0.942282 0.983011 ] [ 0.635085 0.442282 0.516989 ] [ 0.135085 0.057718 0.016989 ] [ 0.364915 0.557718 0.483011 ] [ 0 0.356078 0.25 ] [ 0 0.643922 0.75 ] [ 0.364915 0.442282 0.983011 ] [ 0.135085 0.942282 0.516989 ] [ 0.635085 0.557718 0.016989 ] [ 0.864915 0.057718 0.483011 ] [ 0.5 0.856078 0.25 ] [ 0.5 0.143922 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.4370022985 "source-unit" "angstrom" } "b" { "source-value" 6.6964219474 "source-unit" "angstrom" } "c" { "source-value" 8.44995188263 "source-unit" "angstrom" } "beta" { "source-value" 137.077158263 "source-unit" "degree" } }