{ "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 0 ] [ 0.242131 0.5 0.681173 ] [ 0.757869 0.5 0.318827 ] [ 0.5 0.5 0 ] [ 0.742131 0 0.681173 ] [ 0.257869 0 0.318827 ] [ 0.140717 0.5 0.980924 ] [ 0.859283 0.5 0.019076 ] [ 0.1095 0 0.449213 ] [ 0.8905 0 0.550787 ] [ 0.640717 0 0.980924 ] [ 0.359283 0 0.019076 ] [ 0.6095 0.5 0.449213 ] [ 0.3905 0.5 0.550787 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "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" 12.6213482172 "source-unit" "angstrom" } "b" { "source-value" 3.24801464353 "source-unit" "angstrom" } "c" { "source-value" 5.86339993454 "source-unit" "angstrom" } "beta" { "source-value" 115.347090808 "source-unit" "degree" } }