{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnan" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.997035 0 ] [ 0.25 0.002965 0 ] [ 0.75 0.502965 0.5 ] [ 0.25 0.497035 0.5 ] [ 0.978979 0.75 0.25 ] [ 0.521021 0.75 0.75 ] [ 0.021021 0.25 0.75 ] [ 0.478979 0.25 0.25 ] [ 0.480644 0.701568 0.520727 ] [ 0.980644 0.298432 0.520727 ] [ 0.754504 0.948743 0.812345 ] [ 0.745496 0.948743 0.187655 ] [ 0.519356 0.201568 0.020727 ] [ 0.245496 0.448743 0.312345 ] [ 0.480644 0.798432 0.979273 ] [ 0.254504 0.051257 0.812345 ] [ 0.980644 0.201568 0.979273 ] [ 0.019356 0.798432 0.020727 ] [ 0.254504 0.448743 0.687655 ] [ 0.245496 0.051257 0.187655 ] [ 0.519356 0.298432 0.479273 ] [ 0.754504 0.551257 0.687655 ] [ 0.019356 0.701568 0.479273 ] [ 0.745496 0.551257 0.312345 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Sb" "Sb" "Sb" "Sb" "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" 6.25410260846 "source-unit" "angstrom" } "b" { "source-value" 6.4304500501 "source-unit" "angstrom" } "c" { "source-value" 10.4557461477 "source-unit" "angstrom" } }