{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.269781 0.5 0.433602 ] [ 0.730219 0.5 0.566398 ] [ 0.769781 0 0.433602 ] [ 0.230219 0 0.566398 ] [ 0.112534 0.5 0.905945 ] [ 0.26377 0 0.215536 ] [ 0.73623 0 0.784464 ] [ 0.887466 0.5 0.094055 ] [ 0.612534 0 0.905945 ] [ 0.76377 0.5 0.215536 ] [ 0.23623 0.5 0.784464 ] [ 0.387466 0 0.094055 ] [ 0.689167 0.5 0.869902 ] [ 0.918773 0 0.022679 ] [ 0.138829 0 0.350532 ] [ 0.179843 0.5 0.214273 ] [ 0.861171 0 0.649468 ] [ 0.820157 0.5 0.785727 ] [ 0.310833 0.5 0.130098 ] [ 0.081227 0 0.977321 ] [ 0.189167 0 0.869902 ] [ 0.418773 0.5 0.022679 ] [ 0.638829 0.5 0.350532 ] [ 0.679843 0 0.214273 ] [ 0.361171 0.5 0.649468 ] [ 0.320157 0 0.785727 ] [ 0.810833 0 0.130098 ] [ 0.581227 0.5 0.977321 ] [ 0.075183 0.5 0.472826 ] [ 0.924817 0.5 0.527174 ] [ 0.575183 0 0.472826 ] [ 0.424817 0 0.527174 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 20.6593332009 "source-unit" "angstrom" } "b" { "source-value" 3.91280098355 "source-unit" "angstrom" } "c" { "source-value" 17.9083954571 "source-unit" "angstrom" } "beta" { "source-value" 144.202175012 "source-unit" "degree" } }