{ "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" [ [ 0.658954 0.236413 0.078518 ] [ 0.341046 0.736413 0.421482 ] [ 0.341046 0.763587 0.921482 ] [ 0.658954 0.263587 0.578518 ] [ 0.755566 0.767574 0.626286 ] [ 0.244434 0.267574 0.873714 ] [ 0.244434 0.232426 0.373714 ] [ 0.755566 0.732426 0.126286 ] [ 0.041836 0.336039 0.905436 ] [ 0.958164 0.836039 0.594564 ] [ 0.958164 0.663961 0.094564 ] [ 0.041836 0.163961 0.405436 ] [ 0.180236 0.186419 0.704803 ] [ 0.819764 0.686419 0.795197 ] [ 0.819764 0.813581 0.295197 ] [ 0.180236 0.313581 0.204803 ] [ 0.25736 0.584187 0.794814 ] [ 0.74264 0.084187 0.705186 ] [ 0.74264 0.415813 0.205186 ] [ 0.25736 0.915813 0.294814 ] [ 0.38002 0.619009 0.059144 ] [ 0.61998 0.119009 0.440856 ] [ 0.61998 0.380991 0.940856 ] [ 0.38002 0.880991 0.559144 ] [ 0.503583 0.103294 0.124163 ] [ 0.496417 0.603294 0.375837 ] [ 0.496417 0.896706 0.875837 ] [ 0.503583 0.396706 0.624163 ] [ 0.181112 0.946158 0.930113 ] [ 0.818888 0.446158 0.569887 ] [ 0.818888 0.053842 0.069887 ] [ 0.181112 0.553842 0.430113 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.6569322423 "source-unit" "angstrom" } "b" { "source-value" 7.93172437 "source-unit" "angstrom" } "c" { "source-value" 13.6506002974 "source-unit" "angstrom" } "beta" { "source-value" 102.076515068 "source-unit" "degree" } }