{ "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" [ [ 0.089604 0.5 0.854441 ] [ 0.910396 0.5 0.145559 ] [ 0.589604 0 0.854441 ] [ 0.410396 0 0.145559 ] [ 0.912349 0 0.964206 ] [ 0.087651 0 0.035794 ] [ 0.412349 0.5 0.964206 ] [ 0.587651 0.5 0.035794 ] [ 0.199936 0 0.668095 ] [ 0.800064 0 0.331905 ] [ 0.699936 0.5 0.668095 ] [ 0.300064 0.5 0.331905 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "C" "C" "C" "C" "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" 7.11220270612 "source-unit" "angstrom" } "b" { "source-value" 3.8691804 "source-unit" "angstrom" } "c" { "source-value" 10.3228292329 "source-unit" "angstrom" } "beta" { "source-value" 100.117453483 "source-unit" "degree" } }