{ "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" [ [ 0.147542 0.095288 0.349351 ] [ 0.147542 0.404712 0.849351 ] [ 0.852458 0.904712 0.650649 ] [ 0.852458 0.595288 0.150649 ] [ 0.569757 0.567126 0.708172 ] [ 0.430243 0.067126 0.791828 ] [ 0.569757 0.932874 0.208172 ] [ 0.430243 0.432874 0.291828 ] [ 0.253795 0.051734 0.728202 ] [ 0.29945 0.701468 0.54331 ] [ 0.29945 0.798532 0.04331 ] [ 0.746205 0.948266 0.271798 ] [ 0.253795 0.448266 0.228202 ] [ 0.370134 0.930015 0.14734 ] [ 0.629866 0.069985 0.85266 ] [ 0.746205 0.551734 0.771798 ] [ 0.70055 0.298532 0.45669 ] [ 0.370134 0.569985 0.64734 ] [ 0.70055 0.201468 0.95669 ] [ 0.629866 0.430015 0.35266 ] [ 0.418646 0.696724 0.006769 ] [ 0.418646 0.803276 0.506769 ] [ 0.581354 0.303276 0.993231 ] [ 0.889915 0.282597 0.5147 ] [ 0.889915 0.217403 0.0147 ] [ 0.581354 0.196724 0.493231 ] [ 0.110085 0.782597 0.9853 ] [ 0.110085 0.717403 0.4853 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.97126457996 "source-unit" "angstrom" } "b" { "source-value" 7.78881538 "source-unit" "angstrom" } "c" { "source-value" 8.72187542097 "source-unit" "angstrom" } "beta" { "source-value" 109.003480873 "source-unit" "degree" } }