{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.173519 0.222475 0.049499 ] [ 0.826481 0.722475 0.450501 ] [ 0.826481 0.777525 0.950501 ] [ 0.173519 0.277525 0.549499 ] [ 0.80816 0.110711 0.203695 ] [ 0.19184 0.610711 0.296305 ] [ 0.19184 0.889289 0.796305 ] [ 0.80816 0.389289 0.703695 ] [ 0.508508 0.715238 0.119057 ] [ 0.491492 0.215238 0.380943 ] [ 0.491492 0.284762 0.880943 ] [ 0.508508 0.784762 0.619057 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.070785 0.332349 0.208962 ] [ 0.929215 0.832349 0.291038 ] [ 0.929215 0.667651 0.791038 ] [ 0.070785 0.167651 0.708962 ] [ 0.066968 0.006883 0.918044 ] [ 0.933032 0.506883 0.581956 ] [ 0.933032 0.993117 0.081956 ] [ 0.066968 0.493117 0.418044 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Br" "Br" "Br" "Br" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.73812728277 "source-unit" "angstrom" } "b" { "source-value" 5.24114735 "source-unit" "angstrom" } "c" { "source-value" 13.7968397704 "source-unit" "angstrom" } "beta" { "source-value" 96.161520924 "source-unit" "degree" } }