{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.118281 0.373138 0.38206 ] [ 0.881719 0.373138 0.61794 ] [ 0.626363 0.376231 0.873828 ] [ 0.873637 0.876231 0.126172 ] [ 0.618281 0.873138 0.38206 ] [ 0.381719 0.873138 0.61794 ] [ 0.126363 0.876231 0.873828 ] [ 0.373637 0.376231 0.126172 ] [ 0 0.251067 0.5 ] [ 0.5 0.751067 0.5 ] [ 0.999729 0.186249 0.808736 ] [ 0.000271 0.186249 0.191264 ] [ 0.74755 0.992578 0.253245 ] [ 0.750385 0.06493 0.939397 ] [ 0.749616 0.067365 0.560131 ] [ 0.0002 0.687377 0.687828 ] [ 0.9998 0.687377 0.312172 ] [ 0 0.753194 0 ] [ 0.75245 0.492578 0.746755 ] [ 0.750384 0.567365 0.439869 ] [ 0.749615 0.56493 0.060603 ] [ 0.499729 0.686249 0.808736 ] [ 0.500271 0.686249 0.191264 ] [ 0.24755 0.492578 0.253245 ] [ 0.250385 0.56493 0.939397 ] [ 0.249616 0.567365 0.560131 ] [ 0.5002 0.187377 0.687828 ] [ 0.4998 0.187377 0.312172 ] [ 0.5 0.253194 0 ] [ 0.25245 0.992578 0.746755 ] [ 0.250384 0.067365 0.439869 ] [ 0.249615 0.06493 0.060603 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 9.3571952 "source-unit" "angstrom" } "b" { "source-value" 5.09894845 "source-unit" "angstrom" } "c" { "source-value" 8.74449847 "source-unit" "angstrom" } "beta" { "source-value" 107.44442435 "source-unit" "degree" } }