{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.250092 0.850393 ] [ 0.5 0.249908 0.350393 ] [ 0.5 0.750092 0.649607 ] [ 0.5 0.749908 0.149607 ] [ 0 0 0.5 ] [ 0 0.040806 0.134277 ] [ 0 0.459194 0.634277 ] [ 0 0.5 0 ] [ 0 0.540806 0.365723 ] [ 0 0.959194 0.865723 ] [ 0.5 0 0 ] [ 0.5 0.124278 0.488916 ] [ 0.5 0.120671 0.222086 ] [ 0 0.15517 0.835124 ] [ 0 0.34483 0.335124 ] [ 0.5 0.379329 0.722086 ] [ 0.5 0.375722 0.988916 ] [ 0.5 0.5 0.5 ] [ 0.5 0.624278 0.011084 ] [ 0.5 0.620671 0.277914 ] [ 0 0.65517 0.664876 ] [ 0 0.84483 0.164876 ] [ 0.5 0.879329 0.777914 ] [ 0.5 0.875722 0.511084 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 3.06225112 "source-unit" "angstrom" } "b" { "source-value" 10.19012588 "source-unit" "angstrom" } "c" { "source-value" 10.78692309 "source-unit" "angstrom" } }