{ "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" [ [ 0.764115 0.5 0.280782 ] [ 0.235885 0.5 0.719218 ] [ 0 0 0 ] [ 0.264115 0 0.280782 ] [ 0.735885 0 0.719218 ] [ 0.5 0.5 0 ] [ 0.875329 0 0.552449 ] [ 0.124671 0 0.447551 ] [ 0.866107 0.5 0.020001 ] [ 0.133893 0.5 0.979999 ] [ 0.375329 0.5 0.552449 ] [ 0.624671 0.5 0.447551 ] [ 0.366107 0 0.020001 ] [ 0.633893 0 0.979999 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 12.61868919 "source-unit" "angstrom" } "b" { "source-value" 3.46089113 "source-unit" "angstrom" } "c" { "source-value" 6.07232066 "source-unit" "angstrom" } "beta" { "source-value" 117.05779029 "source-unit" "degree" } }