{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3c" } "basis-atom-coordinates" { "source-value" [ [ 0.999445 0.666111 0.083333 ] [ 0.666667 0.000555 0.083333 ] [ 0.333889 0.333333 0.083333 ] [ 0.666111 0.666667 0.916667 ] [ 0.333333 0.999445 0.916667 ] [ 0.000555 0.333889 0.916667 ] [ 0.666111 0.999445 0.416667 ] [ 0.333333 0.333889 0.416667 ] [ 0.000555 0.666667 0.416667 ] [ 0.332778 0 0.25 ] [ 0 0.332778 0.25 ] [ 0.667222 0.667222 0.25 ] [ 0.332778 0.332778 0.75 ] [ 0 0.667222 0.75 ] [ 0.667222 0 0.75 ] [ 0.999445 0.333333 0.583333 ] [ 0.666667 0.666111 0.583333 ] [ 0.333889 0.000555 0.583333 ] [ 0.333333 0.666667 0.005066 ] [ 0 0 0.1616 ] [ 0 0 0.8384 ] [ 0.666667 0.333333 0.994934 ] [ 0 0 0.3384 ] [ 0.666667 0.333333 0.494934 ] [ 0.666667 0.333333 0.171733 ] [ 0.333333 0.666667 0.328267 ] [ 0.666667 0.333333 0.671733 ] [ 0.333333 0.666667 0.828267 ] [ 0.333333 0.666667 0.505066 ] [ 0 0 0.6616 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "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" 6.40070088 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }