{ "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" [ [ 0.578501 0.166349 0.14735 ] [ 0.930454 0.640334 0.858109 ] [ 0.069546 0.140334 0.641891 ] [ 0.578501 0.333651 0.64735 ] [ 0.421499 0.666349 0.35265 ] [ 0.069546 0.359666 0.141891 ] [ 0.421499 0.833651 0.85265 ] [ 0.930454 0.859666 0.358109 ] [ 0.359103 0.125063 0.413359 ] [ 0.640897 0.874937 0.586641 ] [ 0.640897 0.625063 0.086641 ] [ 0.359103 0.374937 0.913359 ] [ 0.147539 0.625994 0.590647 ] [ 0.147539 0.874006 0.090647 ] [ 0.852461 0.125994 0.909353 ] [ 0.852461 0.374006 0.409353 ] [ 0.245075 0.493369 0.744722 ] [ 0.71604 0.118316 0.464606 ] [ 0.71604 0.381684 0.964606 ] [ 0.28396 0.618316 0.035394 ] [ 0.805953 0.900288 0.042051 ] [ 0.194047 0.099712 0.957949 ] [ 0.194047 0.400288 0.457949 ] [ 0.245075 0.006631 0.244722 ] [ 0.754925 0.506631 0.255278 ] [ 0.754925 0.993369 0.755278 ] [ 0.28396 0.881684 0.535394 ] [ 0.805953 0.599712 0.542051 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Tl" "Tl" "Tl" "Tl" "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" 6.52136676194 "source-unit" "angstrom" } "b" { "source-value" 7.02618505 "source-unit" "angstrom" } "c" { "source-value" 12.1174184407 "source-unit" "angstrom" } "beta" { "source-value" 95.2449252123 "source-unit" "degree" } }