{ "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" [ [ 0.242518 0.022242 0.253575 ] [ 0.242518 0.477758 0.253575 ] [ 0.757482 0.522242 0.746425 ] [ 0.757482 0.977758 0.746425 ] [ 0.773098 0.75 0.354753 ] [ 0.226902 0.25 0.645247 ] [ 0.715955 0.25 0.42537 ] [ 0.284045 0.75 0.57463 ] [ 0.72846 0.75 0.09763 ] [ 0.27154 0.25 0.90237 ] [ 0.283963 0.25 0.036746 ] [ 0.942331 0.75 0.171315 ] [ 0.533839 0.75 0.18712 ] [ 0.754619 0.087078 0.337114 ] [ 0.754619 0.412922 0.337114 ] [ 0.11855 0.75 0.432277 ] [ 0.423945 0.25 0.47791 ] [ 0.576055 0.75 0.52209 ] [ 0.88145 0.25 0.567723 ] [ 0.245381 0.587078 0.662886 ] [ 0.245381 0.912922 0.662886 ] [ 0.466161 0.25 0.81288 ] [ 0.057669 0.25 0.828685 ] [ 0.716037 0.75 0.963254 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cu" "Cu" "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" 5.24060998 "source-unit" "angstrom" } "b" { "source-value" 7.84340984 "source-unit" "angstrom" } "c" { "source-value" 9.24440189 "source-unit" "angstrom" } "beta" { "source-value" 90.00755327 "source-unit" "degree" } }