{ "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" [ [ 0.874737 0.5 0.243378 ] [ 0.125263 0.5 0.756622 ] [ 0.374737 0 0.243378 ] [ 0.625263 0 0.756622 ] [ 0.08737 0 0.903675 ] [ 0.91263 0 0.096325 ] [ 0.58737 0.5 0.903675 ] [ 0.41263 0.5 0.096325 ] [ 0.29444 0.5 0.366389 ] [ 0.70556 0.5 0.633611 ] [ 0.79444 0 0.366389 ] [ 0.20556 0 0.633611 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Te" "Te" "Te" "Te" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.7983206017 "source-unit" "angstrom" } "b" { "source-value" 4.30020675192 "source-unit" "angstrom" } "c" { "source-value" 11.1760288432 "source-unit" "angstrom" } "beta" { "source-value" 138.750838276 "source-unit" "degree" } }