{ "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" [ [ 0.023612 0.5 0.259414 ] [ 0.976388 0.5 0.740586 ] [ 0.523612 0 0.259414 ] [ 0.476388 0 0.740586 ] [ 0.815527 0.5 0.593736 ] [ 0.184473 0.5 0.406264 ] [ 0.315527 0 0.593736 ] [ 0.684473 0 0.406264 ] [ 0.836803 0 0.744985 ] [ 0.863482 0 0.019665 ] [ 0.976532 0.5 0.882199 ] [ 0.022358 0 0.656007 ] [ 0.163197 0 0.255015 ] [ 0.023468 0.5 0.117801 ] [ 0.136518 0 0.980335 ] [ 0.335313 0 0.463951 ] [ 0.664687 0 0.536049 ] [ 0.866975 0 0.177923 ] [ 0.133025 0 0.822077 ] [ 0.977642 0 0.343993 ] [ 0.336803 0.5 0.744985 ] [ 0.363482 0.5 0.019665 ] [ 0.476532 0 0.882199 ] [ 0.522358 0.5 0.656007 ] [ 0.663197 0.5 0.255015 ] [ 0.523468 0 0.117801 ] [ 0.636518 0.5 0.980335 ] [ 0.835313 0.5 0.463951 ] [ 0.164687 0.5 0.536049 ] [ 0.366975 0.5 0.177923 ] [ 0.633025 0.5 0.822077 ] [ 0.477642 0.5 0.343993 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ge" "Ge" "Ge" "Ge" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.9458239334 "source-unit" "angstrom" } "b" { "source-value" 3.93362372852 "source-unit" "angstrom" } "c" { "source-value" 20.0879462696 "source-unit" "angstrom" } "beta" { "source-value" 120.98111701 "source-unit" "degree" } }