{ "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" [ [ 0.12612 0.721105 0.679843 ] [ 0.37388 0.221105 0.820157 ] [ 0.691888 0.735064 0.468103 ] [ 0.308112 0.264936 0.531897 ] [ 0.87388 0.278895 0.320157 ] [ 0.808112 0.235064 0.031897 ] [ 0.62612 0.778895 0.179843 ] [ 0.191888 0.764936 0.968103 ] [ 0.170247 0.668905 0.297035 ] [ 0.829753 0.331095 0.702965 ] [ 0.329753 0.168905 0.202965 ] [ 0.670247 0.831095 0.797035 ] [ 0.429709 0.289631 0.09034 ] [ 0.980551 0.739782 0.172662 ] [ 0.070291 0.789631 0.40966 ] [ 0.019449 0.260218 0.827338 ] [ 0.929709 0.210369 0.59034 ] [ 0.480551 0.760218 0.672662 ] [ 0.570291 0.710369 0.90966 ] [ 0.519449 0.239782 0.327338 ] [ 0.546812 0.765186 0.597237 ] [ 0.91967 0.956009 0.186556 ] [ 0.121392 0.44286 0.829916 ] [ 0.081332 0.271935 0.620515 ] [ 0.845518 0.334668 0.51157 ] [ 0.41967 0.543991 0.686556 ] [ 0.581332 0.228065 0.120515 ] [ 0.953188 0.265186 0.902763 ] [ 0.918668 0.728065 0.379485 ] [ 0.407665 0.529859 0.081788 ] [ 0.58033 0.456009 0.313444 ] [ 0.378608 0.94286 0.670084 ] [ 0.654482 0.834668 0.98843 ] [ 0.08033 0.043991 0.813444 ] [ 0.046812 0.734814 0.097237 ] [ 0.092335 0.029859 0.418212 ] [ 0.907665 0.970141 0.581788 ] [ 0.453188 0.234814 0.402763 ] [ 0.592335 0.470141 0.918212 ] [ 0.621392 0.05714 0.329916 ] [ 0.418668 0.771935 0.879485 ] [ 0.345518 0.165332 0.01157 ] [ 0.154482 0.665332 0.48843 ] [ 0.878608 0.55714 0.170084 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Se" "Se" "Se" "Se" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.73691113399 "source-unit" "angstrom" } "b" { "source-value" 6.04970174 "source-unit" "angstrom" } "c" { "source-value" 15.2624090256 "source-unit" "angstrom" } "beta" { "source-value" 105.512138104 "source-unit" "degree" } }