{ "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" [ [ 0.265835 0.953579 0.257402 ] [ 0.5 0.5 0.5 ] [ 0.734165 0.046421 0.742598 ] [ 0.265835 0.546421 0.757402 ] [ 0.5 0 0 ] [ 0.734165 0.453579 0.242598 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.618951 0.179007 0.437358 ] [ 0.249873 0.190541 0.079148 ] [ 0.901962 0.42645 0.764169 ] [ 0.098038 0.57355 0.235831 ] [ 0.750127 0.809459 0.920852 ] [ 0.381049 0.820993 0.562642 ] [ 0.618951 0.320993 0.937358 ] [ 0.249873 0.309459 0.579148 ] [ 0.901962 0.07355 0.264169 ] [ 0.098038 0.92645 0.735831 ] [ 0.750127 0.690541 0.420852 ] [ 0.381049 0.679007 0.062642 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "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" 5.03640825 "source-unit" "angstrom" } "b" { "source-value" 5.20453817 "source-unit" "angstrom" } "c" { "source-value" 9.04445775 "source-unit" "angstrom" } "beta" { "source-value" 123.33728494 "source-unit" "degree" } }