{ "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" [ [ 0.774137 0.25 0.91453 ] [ 0.258393 0.008812 0.726147 ] [ 0.258393 0.491188 0.726147 ] [ 0.741607 0.991188 0.273853 ] [ 0.741607 0.508812 0.273853 ] [ 0.225863 0.75 0.08547 ] [ 0.777979 0.75 0.655304 ] [ 0.222021 0.25 0.344696 ] [ 0.71991 0.25 0.583079 ] [ 0.28009 0.75 0.416921 ] [ 0.707856 0.75 0.942572 ] [ 0.292144 0.25 0.057428 ] [ 0.933828 0.75 0.887271 ] [ 0.322404 0.25 0.913817 ] [ 0.513077 0.75 0.847521 ] [ 0.793252 0.064921 0.681808 ] [ 0.793252 0.435079 0.681808 ] [ 0.142953 0.75 0.567699 ] [ 0.425901 0.25 0.550277 ] [ 0.574099 0.75 0.449723 ] [ 0.857047 0.25 0.432301 ] [ 0.206748 0.935079 0.318192 ] [ 0.206748 0.564921 0.318192 ] [ 0.486923 0.25 0.152479 ] [ 0.677596 0.75 0.086183 ] [ 0.066172 0.25 0.112729 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "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" 5.26449782 "source-unit" "angstrom" } "b" { "source-value" 6.71907595 "source-unit" "angstrom" } "c" { "source-value" 8.88973761 "source-unit" "angstrom" } "beta" { "source-value" 92.09094591 "source-unit" "degree" } }