{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.176053 0.204476 0.798664 ] [ 0.556924 0.937812 0.94666 ] [ 0.556924 0.062188 0.44666 ] [ 0.176053 0.795524 0.298664 ] [ 0.986263 0.851258 0.739612 ] [ 0.986263 0.148742 0.239612 ] [ 0.483511 0.372265 0.248238 ] [ 0.483511 0.627735 0.748238 ] [ 0.690213 0.684854 0.31904 ] [ 0.093038 0.442077 0.44861 ] [ 0.093038 0.557923 0.94861 ] [ 0.690213 0.315146 0.81904 ] [ 0.238483 0.004023 0.612549 ] [ 0.564401 0.169222 0.08233 ] [ 0.829372 0.932038 0.319368 ] [ 0.564401 0.830778 0.58233 ] [ 0.849433 0.710069 0.997039 ] [ 0.829372 0.067962 0.819368 ] [ 0.042761 0.651052 0.547255 ] [ 0.397875 0.422144 0.863938 ] [ 0.042761 0.348948 0.047255 ] [ 0.341675 0.252804 0.492696 ] [ 0.238483 0.995977 0.112549 ] [ 0.397875 0.577856 0.363938 ] [ 0.341675 0.747196 0.992696 ] [ 0.849433 0.289931 0.497039 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.564196 "source-unit" "angstrom" } "b" { "source-value" 12.38878549 "source-unit" "angstrom" } "c" { "source-value" 7.88456133 "source-unit" "angstrom" } "beta" { "source-value" 108.90406657 "source-unit" "degree" } }