{ "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" [ [ 0.5 0.751338 0 ] [ 0.5 0.248662 0 ] [ 0 0.251338 0 ] [ 0 0.748662 0 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.769809 0.5 ] [ 0.719371 0 0.438131 ] [ 0.280629 0 0.561869 ] [ 0.800002 0 0.039609 ] [ 0.5 0.230191 0.5 ] [ 0.199998 0 0.960391 ] [ 0 0.269809 0.5 ] [ 0.219371 0.5 0.438131 ] [ 0.780629 0.5 0.561869 ] [ 0.300002 0.5 0.039609 ] [ 0 0.730191 0.5 ] [ 0.699998 0.5 0.960391 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cr" "Cr" "Cr" "Cr" "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" 8.17682863801 "source-unit" "angstrom" } "b" { "source-value" 8.76042229813 "source-unit" "angstrom" } "c" { "source-value" 5.95453125465 "source-unit" "angstrom" } "beta" { "source-value" 133.118489257 "source-unit" "degree" } }