{ "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" [ [ 0.076156 0.256225 0.043015 ] [ 0.923844 0.756225 0.456985 ] [ 0.923844 0.743775 0.956985 ] [ 0.076156 0.243775 0.543015 ] [ 0.401988 0.541444 0.102629 ] [ 0.598012 0.041444 0.397371 ] [ 0.598012 0.458556 0.897371 ] [ 0.401988 0.958556 0.602629 ] [ 0.346565 0.524926 0.283365 ] [ 0.653435 0.024926 0.216635 ] [ 0.653435 0.475074 0.716635 ] [ 0.346565 0.975074 0.783365 ] [ 0.888374 0.499663 0.299727 ] [ 0.111626 0.999663 0.200273 ] [ 0.111626 0.500337 0.700273 ] [ 0.888374 0.000337 0.799727 ] [ 0.346045 0.913409 0.963448 ] [ 0.653955 0.086591 0.036552 ] [ 0.346045 0.586591 0.463448 ] [ 0.833446 0.932626 0.634275 ] [ 0.166554 0.432626 0.865725 ] [ 0.166554 0.067374 0.365725 ] [ 0.833446 0.567374 0.134275 ] [ 0.653955 0.413409 0.536552 ] [ 0.388848 0.476271 0.573858 ] [ 0.388848 0.023729 0.073858 ] [ 0.611152 0.523729 0.426142 ] [ 0.631948 0.984333 0.707318 ] [ 0.368052 0.484333 0.792682 ] [ 0.368052 0.015667 0.292682 ] [ 0.611152 0.976271 0.926142 ] [ 0.631948 0.515667 0.207318 ] [ 0.135278 0.429389 0.402378 ] [ 0.864722 0.929389 0.097622 ] [ 0.864722 0.570611 0.597622 ] [ 0.135278 0.070611 0.902378 ] [ 0.741985 0.436318 0.029907 ] [ 0.258015 0.936318 0.470093 ] [ 0.258015 0.563682 0.970093 ] [ 0.741985 0.063682 0.529907 ] [ 0.09101 0.477281 0.17235 ] [ 0.90899 0.977281 0.32765 ] [ 0.90899 0.522719 0.82765 ] [ 0.09101 0.022719 0.67235 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "S" "S" "S" "S" "S" "S" "S" "S" "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" 8.04831286585 "source-unit" "angstrom" } "b" { "source-value" 6.17845747 "source-unit" "angstrom" } "c" { "source-value" 20.1129408349 "source-unit" "angstrom" } "beta" { "source-value" 91.3688295563 "source-unit" "degree" } }