{ "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" [ [ 0.190739 0.996337 0.046231 ] [ 0.809261 0.496337 0.453769 ] [ 0.809261 0.003663 0.953769 ] [ 0.190739 0.503663 0.546231 ] [ 0.319284 0.217898 0.198248 ] [ 0.680716 0.717898 0.301752 ] [ 0.680716 0.782102 0.801752 ] [ 0.319284 0.282102 0.698248 ] [ 0.309279 0.769057 0.953968 ] [ 0.690721 0.269057 0.546032 ] [ 0.690721 0.230943 0.046032 ] [ 0.309279 0.730943 0.453968 ] [ 0.999757 0.20474 0.891525 ] [ 0.000243 0.70474 0.608475 ] [ 0.000243 0.79526 0.108475 ] [ 0.999757 0.29526 0.391525 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "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" 9.5186574351 "source-unit" "angstrom" } "b" { "source-value" 6.23690564 "source-unit" "angstrom" } "c" { "source-value" 11.8030410269 "source-unit" "angstrom" } "beta" { "source-value" 108.355833079 "source-unit" "degree" } }