{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.24391 0.476312 0.245745 ] [ 0.24391 0.023688 0.245745 ] [ 0.75609 0.523688 0.754255 ] [ 0.75609 0.976312 0.754255 ] [ 0.769243 0.75 0.354915 ] [ 0.230757 0.25 0.645085 ] [ 0.72012 0.25 0.431746 ] [ 0.27988 0.75 0.568254 ] [ 0.728509 0.75 0.100065 ] [ 0.271491 0.25 0.899935 ] [ 0.293186 0.25 0.027962 ] [ 0.935637 0.75 0.167363 ] [ 0.545321 0.75 0.187299 ] [ 0.762243 0.061315 0.341043 ] [ 0.762243 0.438685 0.341043 ] [ 0.106189 0.75 0.441851 ] [ 0.452898 0.25 0.480735 ] [ 0.547102 0.75 0.519265 ] [ 0.893811 0.25 0.558149 ] [ 0.237757 0.561315 0.658957 ] [ 0.237757 0.938685 0.658957 ] [ 0.454679 0.25 0.812701 ] [ 0.064363 0.25 0.832637 ] [ 0.706814 0.75 0.972038 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cr" "Cr" "P" "P" "C" "C" "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" 5.56938162 "source-unit" "angstrom" } "b" { "source-value" 6.69013223 "source-unit" "angstrom" } "c" { "source-value" 9.66339351 "source-unit" "angstrom" } "beta" { "source-value" 90.36386853 "source-unit" "degree" } }