{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.824272 0.948172 ] [ 0 0.98989 0.801159 ] [ 0.5 0.48989 0.698841 ] [ 0 0.324272 0.551828 ] [ 0 0.675728 0.448172 ] [ 0.5 0.51011 0.301159 ] [ 0 0.01011 0.198841 ] [ 0.5 0.175728 0.051828 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.228294 0.795611 ] [ 0 0.728294 0.704389 ] [ 0 0.271706 0.295611 ] [ 0.5 0.771706 0.204389 ] [ 0.5 0.376611 0.882108 ] [ 0 0.742076 0.854319 ] [ 0.5 0.073314 0.861871 ] [ 0 0.573314 0.638129 ] [ 0.5 0.242076 0.645681 ] [ 0 0.876611 0.617892 ] [ 0 0.123389 0.382108 ] [ 0.5 0.757924 0.354319 ] [ 0 0.426686 0.361871 ] [ 0.5 0.926686 0.138129 ] [ 0 0.257924 0.145681 ] [ 0.5 0.623389 0.117892 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "B" "B" "B" "B" "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" 3.380183 "source-unit" "angstrom" } "b" { "source-value" 7.87214635 "source-unit" "angstrom" } "c" { "source-value" 9.26768779 "source-unit" "angstrom" } }