{ "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" [ [ 0.011279 0 0.247707 ] [ 0.988721 0 0.752293 ] [ 0.511279 0.5 0.247707 ] [ 0.488721 0.5 0.752293 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.339435 0 0.11584 ] [ 0.660565 0 0.88416 ] [ 0.683789 0 0.36739 ] [ 0.316211 0 0.63261 ] [ 0.839435 0.5 0.11584 ] [ 0.160565 0.5 0.88416 ] [ 0.183789 0.5 0.36739 ] [ 0.816211 0.5 0.63261 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Ni" "Ni" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.182586621 "source-unit" "angstrom" } "b" { "source-value" 3.58475013 "source-unit" "angstrom" } "c" { "source-value" 11.9101355024 "source-unit" "angstrom" } "beta" { "source-value" 91.3593101181 "source-unit" "degree" } }