{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.840034 0.5 0.020373 ] [ 0.159966 0.5 0.979627 ] [ 0.795403 0.5 0.665322 ] [ 0.204597 0.5 0.334678 ] [ 0.5 0.5 0 ] [ 0.340034 0 0.020373 ] [ 0.659966 0 0.979627 ] [ 0.295403 0 0.665322 ] [ 0.704597 0 0.334678 ] [ 0.076471 0.5 0.148693 ] [ 0.923529 0.5 0.851307 ] [ 0.088848 0 0.839178 ] [ 0.911152 0 0.160822 ] [ 0.173642 0 0.485362 ] [ 0.826358 0 0.514638 ] [ 0.238819 0 0.157289 ] [ 0.761181 0 0.842711 ] [ 0.576471 0 0.148693 ] [ 0.423529 0 0.851307 ] [ 0.588848 0.5 0.839178 ] [ 0.411152 0.5 0.160822 ] [ 0.673642 0.5 0.485362 ] [ 0.326358 0.5 0.514638 ] [ 0.738819 0.5 0.157289 ] [ 0.261181 0.5 0.842711 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "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" 18.1072572959 "source-unit" "angstrom" } "b" { "source-value" 3.52542314098 "source-unit" "angstrom" } "c" { "source-value" 8.84117716671 "source-unit" "angstrom" } "beta" { "source-value" 104.90490599 "source-unit" "degree" } }