{ "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" [ [ 0.366304 0.857627 0.323647 ] [ 0.866304 0.642373 0.323647 ] [ 0.633696 0.142373 0.676353 ] [ 0.133696 0.357627 0.676353 ] [ 0.126305 0.878332 0.722089 ] [ 0.873695 0.121668 0.277911 ] [ 0.626305 0.621668 0.722089 ] [ 0.373695 0.378332 0.277911 ] [ 0.141164 0.720712 0.941576 ] [ 0.858836 0.279288 0.058424 ] [ 0.358836 0.220712 0.058424 ] [ 0.641164 0.779288 0.941576 ] [ 0.463149 0.489414 0.72465 ] [ 0.036851 0.989414 0.27535 ] [ 0.536851 0.510586 0.27535 ] [ 0.963149 0.010586 0.72465 ] [ 0.795845 0.499442 0.70955 ] [ 0.704155 0.999442 0.29045 ] [ 0.204155 0.500558 0.29045 ] [ 0.110907 0.738185 0.57239 ] [ 0.610907 0.761815 0.57239 ] [ 0.889093 0.261815 0.42761 ] [ 0.389093 0.238185 0.42761 ] [ 0.295845 0.000558 0.70955 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cr" "Cr" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "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" 7.9321093287 "source-unit" "angstrom" } "b" { "source-value" 7.42168982 "source-unit" "angstrom" } "c" { "source-value" 8.38952864874 "source-unit" "angstrom" } "beta" { "source-value" 92.0065036133 "source-unit" "degree" } }