{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.114679 0.084561 0.859894 ] [ 0.621191 0.248159 0.859752 ] [ 0.114679 0.915439 0.359894 ] [ 0.621191 0.751841 0.359752 ] [ 0.614679 0.584561 0.859894 ] [ 0.121191 0.748159 0.859752 ] [ 0.614679 0.415439 0.359894 ] [ 0.121191 0.251841 0.359752 ] [ 0.636011 0.912512 0.879171 ] [ 0.636011 0.087488 0.379171 ] [ 0.136011 0.412512 0.879171 ] [ 0.136011 0.587488 0.379171 ] [ 0.497256 0.247999 0.487839 ] [ 0.497256 0.752001 0.987839 ] [ 0.002045 0.084595 0.485945 ] [ 0.002045 0.915405 0.985945 ] [ 0.494817 0.083313 0.992398 ] [ 0.494817 0.916687 0.492398 ] [ 0.997256 0.747999 0.487839 ] [ 0.997256 0.252001 0.987839 ] [ 0.502045 0.584595 0.485945 ] [ 0.502045 0.415405 0.985945 ] [ 0.994817 0.583313 0.992398 ] [ 0.994817 0.416687 0.492398 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.47661934858 "source-unit" "angstrom" } "b" { "source-value" 11.2973669696 "source-unit" "angstrom" } "c" { "source-value" 6.51528692645 "source-unit" "angstrom" } "beta" { "source-value" 109.153948888 "source-unit" "degree" } }