{ "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" [ [ 0.795134 0.91544 0.212077 ] [ 0.204866 0.41544 0.287923 ] [ 0.795134 0.58456 0.712077 ] [ 0.204866 0.08456 0.787923 ] [ 0.277261 0.90419 0.169679 ] [ 0.722739 0.40419 0.330321 ] [ 0.277261 0.59581 0.669679 ] [ 0.722739 0.09581 0.830321 ] [ 0.257893 0.985098 0.973828 ] [ 0.516874 0.372637 0.190213 ] [ 0.169635 0.626669 0.149768 ] [ 0.815006 0.631764 0.260856 ] [ 0.483126 0.872637 0.309787 ] [ 0.184994 0.131764 0.239144 ] [ 0.830365 0.126669 0.350232 ] [ 0.742107 0.485098 0.526172 ] [ 0.257893 0.514902 0.473828 ] [ 0.169635 0.873331 0.649768 ] [ 0.815006 0.868236 0.760856 ] [ 0.516874 0.127363 0.690213 ] [ 0.184994 0.368236 0.739144 ] [ 0.830365 0.373331 0.850232 ] [ 0.483126 0.627363 0.809787 ] [ 0.742107 0.014902 0.026172 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.51696297 "source-unit" "angstrom" } "b" { "source-value" 5.27925606 "source-unit" "angstrom" } "c" { "source-value" 8.65707382 "source-unit" "angstrom" } "beta" { "source-value" 118.59580082 "source-unit" "degree" } }