{ "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" [ [ 0.875208 0.750991 0.045589 ] [ 0.124792 0.250991 0.454411 ] [ 0.124792 0.249009 0.954411 ] [ 0.875208 0.749009 0.545589 ] [ 0.627475 0.200018 0.214964 ] [ 0.372525 0.700018 0.285036 ] [ 0.372525 0.799982 0.785036 ] [ 0.627475 0.299982 0.714964 ] [ 0.408227 0.339949 0.312832 ] [ 0.591773 0.839949 0.187168 ] [ 0.591773 0.660051 0.687168 ] [ 0.408227 0.160051 0.812832 ] [ 0.88256 0.111121 0.197424 ] [ 0.11744 0.611121 0.302576 ] [ 0.11744 0.888879 0.802576 ] [ 0.88256 0.388879 0.697424 ] [ 0.748954 0.062086 0.792907 ] [ 0.251046 0.562086 0.707093 ] [ 0.251046 0.937914 0.207093 ] [ 0.748954 0.437914 0.292907 ] [ 0.68282 0.395093 0.937926 ] [ 0.31718 0.895093 0.562074 ] [ 0.31718 0.604907 0.062074 ] [ 0.68282 0.104907 0.437926 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.67893950467 "source-unit" "angstrom" } "b" { "source-value" 7.10768211 "source-unit" "angstrom" } "c" { "source-value" 8.48320243368 "source-unit" "angstrom" } "beta" { "source-value" 98.1982834822 "source-unit" "degree" } }