{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.18 0.75 0.782865 ] [ 0.82 0.25 0.217135 ] [ 0.678362 0.75 0.721948 ] [ 0.321638 0.25 0.278052 ] [ 0.842027 0.75 0.49159 ] [ 0.157973 0.25 0.50841 ] [ 0.458895 0.75 0.071323 ] [ 0.541105 0.25 0.928677 ] [ 0.084791 0.75 0.101015 ] [ 0.915209 0.25 0.898985 ] [ 0.394879 0.75 0.512442 ] [ 0.605121 0.25 0.487558 ] [ 0.558658 0.75 0.313958 ] [ 0.441342 0.25 0.686042 ] [ 0.76198 0.75 0.98036 ] [ 0.23802 0.25 0.01964 ] [ 0.101433 0.75 0.347134 ] [ 0.898567 0.25 0.652866 ] ] } "species" { "source-value" [ "U" "U" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.78048000349 "source-unit" "angstrom" } "b" { "source-value" 3.72974654 "source-unit" "angstrom" } "c" { "source-value" 9.49823700758 "source-unit" "angstrom" } "beta" { "source-value" 98.4042580738 "source-unit" "degree" } }