{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.050153 0.835323 0.186069 ] [ 0.449847 0.335323 0.813931 ] [ 0.949847 0.164677 0.813931 ] [ 0.550153 0.664677 0.186069 ] [ 0.362681 0.048859 0.094172 ] [ 0.137319 0.548859 0.905828 ] [ 0.637319 0.951141 0.905828 ] [ 0.862681 0.451141 0.094172 ] [ 0.361326 0.641137 0.505277 ] [ 0.138674 0.141137 0.494723 ] [ 0.638674 0.358863 0.494723 ] [ 0.861326 0.858863 0.505277 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.255258 0.346885 0.242138 ] [ 0.244742 0.846885 0.757862 ] [ 0.744742 0.653115 0.757862 ] [ 0.755258 0.153115 0.242138 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.95474823 "source-unit" "angstrom" } "b" { "source-value" 6.9895231 "source-unit" "angstrom" } "c" { "source-value" 7.00727571 "source-unit" "angstrom" } "beta" { "source-value" 110.30564095 "source-unit" "degree" } }