{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.992236 0 ] [ 0 0.774397 0.240588 ] [ 0.5 0.535638 0 ] [ 0 0.774397 0.759412 ] [ 0.5 0.492236 0.5 ] [ 0.5 0.274397 0.740588 ] [ 0 0.035638 0.5 ] [ 0.5 0.274397 0.259412 ] [ 0 0.713295 0 ] [ 0.5 0.213295 0.5 ] [ 0.5 0.964022 0.863947 ] [ 0.5 0.964022 0.136053 ] [ 0 0.289856 0.122406 ] [ 0 0.289856 0.877594 ] [ 0 0.074485 0.308487 ] [ 0 0.074485 0.691513 ] [ 0 0.464022 0.363947 ] [ 0 0.464022 0.636053 ] [ 0.5 0.789856 0.622406 ] [ 0.5 0.789856 0.377594 ] [ 0.5 0.574485 0.808487 ] [ 0.5 0.574485 0.191513 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Se" "Se" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.37446151 "source-unit" "angstrom" } "b" { "source-value" 10.17223227 "source-unit" "angstrom" } "c" { "source-value" 16.04615944 "source-unit" "angstrom" } }