{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.730548 0.5 0.666 ] [ 0.478196 0.5 0.169059 ] [ 0.898095 0.5 0.238561 ] [ 0.088218 0 0.666667 ] [ 0.636433 0 0.982848 ] [ 0.988966 0 0.932255 ] [ 0.29489 0 0.385949 ] [ 0.704555 0 0.791316 ] [ 0.467834 0 0.301875 ] [ 0.836459 0 0.57956 ] [ 0.196885 0 0.877477 ] [ 0.70748 0 0.20623 ] [ 0.965659 0.5 0.805477 ] [ 0.058889 0 0.230961 ] [ 0.465675 0.5 0.961905 ] [ 0.828397 0.5 0.029067 ] [ 0.093069 0.5 0.524018 ] [ 0.416013 0.5 0.517622 ] [ 0.222788 0.5 0.108642 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.13738532 "source-unit" "angstrom" } "b" { "source-value" 4.38789629 "source-unit" "angstrom" } "c" { "source-value" 13.17345332 "source-unit" "angstrom" } "beta" { "source-value" 112.73117102 "source-unit" "degree" } }