{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.703795 0.379 ] [ 0.75 0.296205 0.621 ] [ 0.25 0.203795 0.121 ] [ 0.75 0.796205 0.879 ] [ 0.25 0.475397 0.840551 ] [ 0.75 0.024603 0.340551 ] [ 0.25 0.975397 0.659449 ] [ 0.75 0.524603 0.159449 ] [ 0.75 0.649308 0.572287 ] [ 0.25 0.850692 0.072287 ] [ 0.75 0.149308 0.927713 ] [ 0.25 0.350692 0.427713 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Te" "Te" "Te" "Te" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.21473496 "source-unit" "angstrom" } "b" { "source-value" 7.68406058 "source-unit" "angstrom" } "c" { "source-value" 8.96113208 "source-unit" "angstrom" } }