{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.94386 ] [ 0 0.5 0.05614 ] [ 0.5 0 0.149585 ] [ 0 0.5 0.249748 ] [ 0.5 0 0.349593 ] [ 0.5 0 0.549514 ] [ 0 0.5 0.450486 ] [ 0 0.5 0.650407 ] [ 0 0.5 0.850415 ] [ 0.5 0 0.750252 ] [ 0.5 0.5 0.39942 ] [ 0 0 0.5 ] [ 0.5 0.5 0.60058 ] [ 0 0 0.69938 ] [ 0.5 0.5 0.802119 ] [ 0 0 0.895813 ] [ 0.5 0.5 0.905807 ] [ 0 0 0 ] [ 0 0 0.104187 ] [ 0.5 0.5 0.094193 ] [ 0.5 0.5 0.197881 ] [ 0 0 0.201707 ] [ 0 0 0.30062 ] [ 0.5 0.5 0.299035 ] [ 0 0 0.399757 ] [ 0.5 0.5 0.5 ] [ 0 0 0.600243 ] [ 0.5 0.5 0.700965 ] [ 0 0 0.798293 ] ] } "species" { "source-value" [ "Sm" "Sm" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "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" 3.96865832 "source-unit" "angstrom" } "c" { "source-value" 28.09140473 "source-unit" "angstrom" } }