{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.710346 0.75 0.087078 ] [ 0.289654 0.25 0.912922 ] [ 0.757175 0.75 0.607656 ] [ 0.242825 0.25 0.392344 ] [ 0.334295 0.75 0.238241 ] [ 0.016459 0.75 0.859273 ] [ 0.00333 0.75 0.391406 ] [ 0.378762 0.75 0.635387 ] [ 0.665705 0.25 0.761759 ] [ 0.621238 0.25 0.364613 ] [ 0.99667 0.25 0.608594 ] [ 0.983541 0.25 0.140727 ] ] } "species" { "source-value" [ "Tl" "Tl" "Bi" "Bi" "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" 6.20318036 "source-unit" "angstrom" } "b" { "source-value" 4.08302978 "source-unit" "angstrom" } "c" { "source-value" 6.80721669 "source-unit" "angstrom" } "beta" { "source-value" 98.26449599 "source-unit" "degree" } }