{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.183263 0.866993 ] [ 0 0.816737 0.366993 ] [ 0.5 0.683263 0.866993 ] [ 0.5 0.316737 0.366993 ] [ 0.5 0.915135 0.809426 ] [ 0.5 0.084865 0.309426 ] [ 0 0.415135 0.809426 ] [ 0 0.584865 0.309426 ] [ 0 0.092617 0.267077 ] [ 0.5 0.799215 0.595685 ] [ 0.5 0.83487 0.082158 ] [ 0.5 0.970534 0.463459 ] [ 0.5 0.029466 0.963459 ] [ 0.5 0.16513 0.582158 ] [ 0.5 0.200785 0.095685 ] [ 0 0.907383 0.767077 ] [ 0.5 0.592617 0.267077 ] [ 0 0.299215 0.595685 ] [ 0 0.33487 0.082158 ] [ 0 0.470534 0.463459 ] [ 0 0.529466 0.963459 ] [ 0 0.66513 0.582158 ] [ 0 0.700785 0.095685 ] [ 0.5 0.407383 0.767077 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Ta" "Ta" "Ta" "Ta" "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" 3.92906379 "source-unit" "angstrom" } "b" { "source-value" 14.99781196 "source-unit" "angstrom" } "c" { "source-value" 5.55232396 "source-unit" "angstrom" } }