{ "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" [ [ 0.759869 0.25 0.083555 ] [ 0.248193 0.006692 0.258644 ] [ 0.248193 0.493308 0.258644 ] [ 0.751807 0.506692 0.741356 ] [ 0.751807 0.993308 0.741356 ] [ 0.240131 0.75 0.916445 ] [ 0.772178 0.75 0.36123 ] [ 0.227822 0.25 0.63877 ] [ 0.699926 0.25 0.406778 ] [ 0.300074 0.75 0.593222 ] [ 0.735303 0.75 0.056576 ] [ 0.264697 0.25 0.943424 ] [ 0.285636 0.25 0.083672 ] [ 0.958748 0.75 0.118353 ] [ 0.532116 0.75 0.137775 ] [ 0.789394 0.073268 0.320113 ] [ 0.789394 0.426732 0.320113 ] [ 0.405 0.25 0.413535 ] [ 0.198149 0.75 0.433508 ] [ 0.801851 0.25 0.566492 ] [ 0.595 0.75 0.586465 ] [ 0.210606 0.573268 0.679887 ] [ 0.210606 0.926732 0.679887 ] [ 0.467884 0.25 0.862225 ] [ 0.041252 0.25 0.881647 ] [ 0.714364 0.75 0.916328 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ca" "Ca" "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" 5.27939316 "source-unit" "angstrom" } "b" { "source-value" 7.08856594 "source-unit" "angstrom" } "c" { "source-value" 9.19071938 "source-unit" "angstrom" } "beta" { "source-value" 90.20194725 "source-unit" "degree" } }