{ "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" [ [ 0.75 0.504512 0.388409 ] [ 0.25 0.495488 0.611591 ] [ 0.75 0.004512 0.111591 ] [ 0.25 0.995488 0.888409 ] [ 0.25 0.370002 0.145856 ] [ 0.75 0.629998 0.854144 ] [ 0.25 0.870002 0.354144 ] [ 0.75 0.129998 0.645856 ] [ 0.25 0.164621 0.473837 ] [ 0.75 0.835379 0.526163 ] [ 0.25 0.664621 0.026163 ] [ 0.75 0.335379 0.973837 ] [ 0.75 0.146939 0.308288 ] [ 0.25 0.853061 0.691712 ] [ 0.75 0.646939 0.191712 ] [ 0.25 0.353061 0.808288 ] [ 0.25 0.220099 0.026999 ] [ 0.75 0.779901 0.973001 ] [ 0.25 0.720099 0.473001 ] [ 0.75 0.279901 0.526999 ] [ 0.25 0.514559 0.239776 ] [ 0.75 0.485441 0.760224 ] [ 0.25 0.014559 0.260224 ] [ 0.75 0.985441 0.739776 ] [ 0.25 0.489126 0.916953 ] [ 0.75 0.510874 0.083047 ] [ 0.25 0.989126 0.583047 ] [ 0.75 0.010874 0.416953 ] [ 0.25 0.250404 0.691804 ] [ 0.75 0.749596 0.308196 ] [ 0.25 0.750404 0.808196 ] [ 0.75 0.249596 0.191804 ] [ 0.75 0.225754 0.868238 ] [ 0.25 0.774246 0.131762 ] [ 0.75 0.725754 0.631762 ] [ 0.25 0.274246 0.368238 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 4.12107105 "source-unit" "angstrom" } "b" { "source-value" 12.24950902 "source-unit" "angstrom" } "c" { "source-value" 21.51403993 "source-unit" "angstrom" } }