{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_332" } "basis-atom-coordinates" { "source-value" [ [ 0.125 0.875 0.375 ] [ 0.375 0.125 0.875 ] [ 0.625 0.625 0.625 ] [ 0.875 0.375 0.125 ] [ 0.999789 0.999789 0.999789 ] [ 0.000211 0.499789 0.500211 ] [ 0.125662 0.124338 0.625 ] [ 0.124338 0.625 0.125662 ] [ 0.125 0.374338 0.875662 ] [ 0.250211 0.250211 0.250211 ] [ 0.249789 0.749789 0.750211 ] [ 0.375662 0.375 0.625662 ] [ 0.375 0.625662 0.375662 ] [ 0.374338 0.875662 0.125 ] [ 0.500211 0.000211 0.499789 ] [ 0.499789 0.500211 0.000211 ] [ 0.625 0.125662 0.124338 ] [ 0.625662 0.375662 0.375 ] [ 0.624338 0.875 0.874338 ] [ 0.750211 0.249789 0.749789 ] [ 0.749789 0.750211 0.249789 ] [ 0.875662 0.125 0.374338 ] [ 0.874338 0.624338 0.875 ] [ 0.875 0.874338 0.624338 ] [ 0.141199 0.385606 0.10803 ] [ 0.14197 0.864394 0.108801 ] [ 0.134733 0.365267 0.634733 ] [ 0.10803 0.141199 0.385606 ] [ 0.114394 0.89197 0.641199 ] [ 0.108801 0.14197 0.864394 ] [ 0.135606 0.608801 0.35803 ] [ 0.115267 0.615267 0.884733 ] [ 0.385606 0.10803 0.141199 ] [ 0.384733 0.384733 0.384733 ] [ 0.35803 0.135606 0.608801 ] [ 0.364394 0.391199 0.85803 ] [ 0.365267 0.634733 0.134733 ] [ 0.391199 0.85803 0.364394 ] [ 0.358801 0.614394 0.60803 ] [ 0.39197 0.858801 0.885606 ] [ 0.634733 0.134733 0.365267 ] [ 0.608801 0.35803 0.135606 ] [ 0.60803 0.358801 0.614394 ] [ 0.614394 0.60803 0.358801 ] [ 0.641199 0.114394 0.89197 ] [ 0.64197 0.635606 0.891199 ] [ 0.615267 0.884733 0.115267 ] [ 0.635606 0.891199 0.64197 ] [ 0.864394 0.108801 0.14197 ] [ 0.884733 0.115267 0.615267 ] [ 0.85803 0.364394 0.391199 ] [ 0.89197 0.641199 0.114394 ] [ 0.891199 0.64197 0.635606 ] [ 0.885606 0.39197 0.858801 ] [ 0.858801 0.885606 0.39197 ] [ 0.865267 0.865267 0.865267 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.64831903 "source-unit" "angstrom" } }