{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.375 0 ] [ 0.625 0.5 0.25 ] [ 0.875 0.5 0.75 ] [ 0 0.75 0.125 ] [ 0 0.25 0.375 ] [ 0.25 0.625 0.5 ] [ 0.75 0.875 0.5 ] [ 0.125 0 0.75 ] [ 0.375 0 0.25 ] [ 0.5 0.25 0.625 ] [ 0.5 0.75 0.875 ] [ 0.75 0.125 0 ] [ 0.173803 0.673803 0.826197 ] [ 0.576197 0.423803 0.923803 ] [ 0.423803 0.076197 0.923803 ] [ 0.076197 0.076197 0.076197 ] [ 0.173803 0.326197 0.673803 ] [ 0.826197 0.826197 0.826197 ] [ 0.923803 0.423803 0.076197 ] [ 0.326197 0.673803 0.173803 ] [ 0.673803 0.173803 0.326197 ] [ 0.076197 0.923803 0.423803 ] [ 0.923803 0.576197 0.423803 ] [ 0.576197 0.576197 0.576197 ] [ 0.673803 0.826197 0.173803 ] [ 0.326197 0.326197 0.326197 ] [ 0.423803 0.923803 0.576197 ] [ 0.826197 0.173803 0.673803 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.68614456 "source-unit" "angstrom" } }