{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2e" } "basis-atom-coordinates" { "source-value" [ [ 0.80582 0.879439 0.54873 ] [ 0.30582 0.120561 0.04873 ] [ 0.30582 0.879439 0.95127 ] [ 0.80582 0.120561 0.45127 ] [ 0.30582 0.379439 0.54873 ] [ 0.80582 0.620561 0.04873 ] [ 0.80582 0.379439 0.95127 ] [ 0.30582 0.620561 0.45127 ] [ 0.00678 0.940547 0.835162 ] [ 0.00678 0.440547 0.664838 ] [ 0.00678 0.059453 0.164838 ] [ 0.00678 0.559453 0.335162 ] [ 0.50678 0.440547 0.835162 ] [ 0.50678 0.940547 0.664838 ] [ 0.50678 0.559453 0.164838 ] [ 0.50678 0.059453 0.335162 ] ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 5.36927050332 "source-unit" "angstrom" } "b" { "source-value" 7.14740778017 "source-unit" "angstrom" } "c" { "source-value" 15.11222478 "source-unit" "angstrom" } }