{ "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" [ [ 0.259996 0.22532 0.464267 ] [ 0.259996 0.27468 0.964267 ] [ 0.740004 0.72532 0.035733 ] [ 0.740004 0.77468 0.535733 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.251977 0.878742 0.749506 ] [ 0.748023 0.121258 0.250494 ] [ 0.748023 0.378742 0.750494 ] [ 0.251977 0.621258 0.249506 ] [ 0.231802 0.338157 0.729094 ] [ 0.441629 0.756053 0.865739 ] [ 0.768198 0.838157 0.770906 ] [ 0.271273 0.506048 0.089209 ] [ 0.942533 0.247395 0.356439 ] [ 0.558371 0.256053 0.634261 ] [ 0.780694 0.996229 0.09848 ] [ 0.728727 0.493952 0.910791 ] [ 0.558371 0.243947 0.134261 ] [ 0.942533 0.252605 0.856439 ] [ 0.271273 0.993952 0.589209 ] [ 0.219306 0.003771 0.90152 ] [ 0.441629 0.743947 0.365739 ] [ 0.728727 0.006048 0.410791 ] [ 0.057467 0.752605 0.643561 ] [ 0.057467 0.747395 0.143561 ] [ 0.780694 0.503771 0.59848 ] [ 0.231802 0.161843 0.229094 ] [ 0.219306 0.496229 0.40152 ] [ 0.768198 0.661843 0.270906 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Co" "Co" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.36663171492 "source-unit" "angstrom" } "b" { "source-value" 7.45032885228 "source-unit" "angstrom" } "c" { "source-value" 7.40749837146 "source-unit" "angstrom" } "beta" { "source-value" 119.638285974 "source-unit" "degree" } }