{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.251529 0.515703 0.838791 ] [ 0.748471 0.484297 0.161209 ] [ 0.999373 0.271092 0.58592 ] [ 0.479015 0.742986 0.723487 ] [ 0.968253 0.298751 0.024053 ] [ 0.524274 0.688317 0.162701 ] [ 0.520985 0.257014 0.276513 ] [ 0.000627 0.728908 0.41408 ] [ 0.031747 0.701249 0.975947 ] [ 0.475726 0.311683 0.837299 ] ] } "species" { "source-value" [ "Nd" "Cu" "W" "W" "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" 5.13208824863 "source-unit" "angstrom" } "b" { "source-value" 6.11123661219 "source-unit" "angstrom" } "c" { "source-value" 6.32428716086 "source-unit" "angstrom" } "alpha" { "source-value" 108.455750851 "source-unit" "degree" } "beta" { "source-value" 92.1981659616 "source-unit" "degree" } "gamma" { "source-value" 112.355984613 "source-unit" "degree" } }