{ "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 0.666708 0 ] [ 0 0.333292 0 ] [ 0.5 0.166708 0 ] [ 0.5 0.833292 0 ] [ 0.944345 0 0.835679 ] [ 0.055655 0 0.164321 ] [ 0.444345 0.5 0.835679 ] [ 0.555655 0.5 0.164321 ] [ 0.749956 0.177335 0.782607 ] [ 0.250044 0.177335 0.217393 ] [ 0.7189 0 0.218153 ] [ 0.2811 0 0.781847 ] [ 0.749956 0.822665 0.782607 ] [ 0.250044 0.822665 0.217393 ] [ 0.249956 0.677335 0.782607 ] [ 0.750044 0.677335 0.217393 ] [ 0.2189 0.5 0.218153 ] [ 0.7811 0.5 0.781847 ] [ 0.249956 0.322665 0.782607 ] [ 0.750044 0.322665 0.217393 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "P" "P" "P" "P" "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" 5.77042499 "source-unit" "angstrom" } "b" { "source-value" 9.99286737 "source-unit" "angstrom" } "c" { "source-value" 6.8596221 "source-unit" "angstrom" } "beta" { "source-value" 106.33656834 "source-unit" "degree" } }