{ "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" [ [ 0.79526 0 0.330926 ] [ 0.20474 0 0.669074 ] [ 0.29526 0.5 0.330926 ] [ 0.70474 0.5 0.669074 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.956194 0 0.258111 ] [ 0.043806 0 0.741889 ] [ 0.150297 0.5 0.109453 ] [ 0.849703 0.5 0.890547 ] [ 0.201046 0.5 0.57615 ] [ 0.798954 0.5 0.42385 ] [ 0.456194 0.5 0.258111 ] [ 0.543806 0.5 0.741889 ] [ 0.650297 0 0.109453 ] [ 0.349703 0 0.890547 ] [ 0.701046 0 0.57615 ] [ 0.298954 0 0.42385 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cu" "Cu" "O" "O" "O" "O" "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" 9.39337950966 "source-unit" "angstrom" } "b" { "source-value" 3.57376841211 "source-unit" "angstrom" } "c" { "source-value" 6.66217251064 "source-unit" "angstrom" } "beta" { "source-value" 107.100491514 "source-unit" "degree" } }