{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.49742 0.124632 0.123006 ] [ 0.758931 0.55731 0.553886 ] [ 0.954979 0.498899 0.086807 ] [ 0.196843 0.933285 0.5389 ] [ 0.829221 0.183638 0.070604 ] [ 0.289532 0.329853 0.208956 ] [ 0.483622 0.921054 0.277067 ] [ 0.417241 0.048055 0.947271 ] [ 0.07583 0.737206 0.126131 ] [ 0.184039 0.465933 0.875184 ] [ 0.667237 0.62003 0.001997 ] [ 0.090594 0.613137 0.511665 ] [ 0.5477 0.758568 0.646347 ] [ 0.680116 0.498652 0.364409 ] [ 0.718345 0.355788 0.696142 ] [ 0.332552 0.170564 0.563901 ] [ 0.986847 0.923378 0.759974 ] [ 0.929353 0.043319 0.430252 ] ] } "species" { "source-value" [ "Fe" "Fe" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 7.05362037446 "source-unit" "angstrom" } "b" { "source-value" 9.15016136647 "source-unit" "angstrom" } "c" { "source-value" 10.9258052569 "source-unit" "angstrom" } "alpha" { "source-value" 85.0321117143 "source-unit" "degree" } "beta" { "source-value" 76.7952802972 "source-unit" "degree" } "gamma" { "source-value" 83.5094359089 "source-unit" "degree" } }