{ "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" [ [ 0.104861 0.739777 0.539248 ] [ 0.376669 0.322142 0.973879 ] [ 0.104861 0.760223 0.039248 ] [ 0.376669 0.177858 0.473879 ] [ 0.623331 0.822142 0.526121 ] [ 0.895139 0.239777 0.960752 ] [ 0.623331 0.677858 0.026121 ] [ 0.895139 0.260223 0.460752 ] [ 0.342988 0.99119 0.777925 ] [ 0.342988 0.50881 0.277925 ] [ 0.657012 0.49119 0.722075 ] [ 0.657012 0.00881 0.222075 ] [ 0.141205 0.884603 0.846116 ] [ 0.135211 0.152282 0.558366 ] [ 0.342759 0.118354 0.957781 ] [ 0.141205 0.615397 0.346116 ] [ 0.135211 0.347718 0.058366 ] [ 0.367977 0.850083 0.620333 ] [ 0.441254 0.583258 0.788427 ] [ 0.342759 0.381646 0.457781 ] [ 0.558746 0.083258 0.711573 ] [ 0.367977 0.649917 0.120333 ] [ 0.632023 0.350083 0.879667 ] [ 0.441254 0.916742 0.288427 ] [ 0.657241 0.618354 0.542219 ] [ 0.558746 0.416742 0.211573 ] [ 0.632023 0.149917 0.379667 ] [ 0.864789 0.652282 0.941634 ] [ 0.858795 0.384603 0.653884 ] [ 0.657241 0.881646 0.042219 ] [ 0.864789 0.847718 0.441634 ] [ 0.858795 0.115397 0.153884 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.32236671 "source-unit" "angstrom" } "b" { "source-value" 9.46967825 "source-unit" "angstrom" } "c" { "source-value" 7.4929876 "source-unit" "angstrom" } "beta" { "source-value" 106.55011871 "source-unit" "degree" } }