{ "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" [ [ 0.111124 0.5 0.823745 ] [ 0.888876 0.5 0.176255 ] [ 0.611124 0 0.823745 ] [ 0.388876 0 0.176255 ] [ 0.847583 0 0.617759 ] [ 0.152417 0 0.382241 ] [ 0.347583 0.5 0.617759 ] [ 0.652417 0.5 0.382241 ] [ 0 0 0.5 ] [ 0.224573 0.5 0.266055 ] [ 0.775427 0.5 0.733945 ] [ 0.5 0.5 0.5 ] [ 0.724573 0 0.266055 ] [ 0.275427 0 0.733945 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.3823873688 "source-unit" "angstrom" } "b" { "source-value" 3.46427995482 "source-unit" "angstrom" } "c" { "source-value" 5.83243291673 "source-unit" "angstrom" } "beta" { "source-value" 106.434140292 "source-unit" "degree" } }