{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.480311 0.852547 0.652192 ] [ 0.873003 0.089301 0.03525 ] [ 0.519689 0.352547 0.347808 ] [ 0.126997 0.589301 0.96475 ] [ 0.305875 0.394382 0.054812 ] [ 0.605785 0.146842 0.225346 ] [ 0.694125 0.894382 0.945188 ] [ 0.394215 0.646842 0.774654 ] [ 0.341006 0.669124 0.271386 ] [ 0.658994 0.169124 0.728614 ] [ 0.00208 0.953634 0.299162 ] [ 0.233174 0.235141 0.43499 ] [ 0.99792 0.453634 0.700838 ] [ 0.807687 0.430529 0.159544 ] [ 0.766826 0.735141 0.56501 ] [ 0.192313 0.930529 0.840456 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "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" 5.45577066525 "source-unit" "angstrom" } "b" { "source-value" 8.36548196 "source-unit" "angstrom" } "c" { "source-value" 5.69715752527 "source-unit" "angstrom" } "beta" { "source-value" 96.4252562893 "source-unit" "degree" } }