{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.410456 0.384701 0.74864 ] [ 0.589544 0.615299 0.25136 ] [ 0.84879 0.185274 0.361338 ] [ 0.15121 0.814726 0.638662 ] [ 0.708877 0.049299 0.604773 ] [ 0.291123 0.950701 0.395227 ] [ 0.424694 0.547056 0.123596 ] [ 0.575306 0.452944 0.876404 ] [ 0.401929 0.478493 0.340518 ] [ 0.598071 0.521507 0.659482 ] [ 0.888728 0.28027 0.083903 ] [ 0.111272 0.71973 0.916097 ] [ 0.327413 0.036902 0.103185 ] [ 0.672587 0.963098 0.896815 ] [ 0.862493 0.792567 0.142707 ] [ 0.137507 0.207433 0.857293 ] [ 0.816266 0.699721 0.421728 ] [ 0.183734 0.300279 0.578272 ] ] } "species" { "source-value" [ "Bi" "Bi" "Cl" "Cl" "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" 5.39978657253 "source-unit" "angstrom" } "b" { "source-value" 5.92029736819 "source-unit" "angstrom" } "c" { "source-value" 10.7790480031 "source-unit" "angstrom" } "alpha" { "source-value" 90.5769114744 "source-unit" "degree" } "beta" { "source-value" 93.6052652874 "source-unit" "degree" } "gamma" { "source-value" 93.7177395159 "source-unit" "degree" } }