{ "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" [ [ 0.516055 0.444198 0.246087 ] [ 0.483945 0.555802 0.753913 ] [ 0.983945 0.944198 0.253913 ] [ 0.016055 0.055802 0.746087 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.698519 0.708653 0.050706 ] [ 0.301481 0.291347 0.949294 ] [ 0.204196 0.79451 0.941897 ] [ 0.795804 0.20549 0.058103 ] [ 0.704196 0.70549 0.441897 ] [ 0.295804 0.29451 0.558103 ] [ 0.198519 0.791347 0.550706 ] [ 0.801481 0.208653 0.449294 ] [ 0.400592 0.033994 0.254107 ] [ 0.599408 0.966006 0.745893 ] [ 0.099408 0.533994 0.245893 ] [ 0.900592 0.466006 0.754107 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "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" 5.4394061718 "source-unit" "angstrom" } "b" { "source-value" 5.6287081446 "source-unit" "angstrom" } "c" { "source-value" 7.81804518475 "source-unit" "angstrom" } "beta" { "source-value" 90.5116558249 "source-unit" "degree" } }