{ "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" [ [ 0.239742 0.75 0.080039 ] [ 0.750867 0.99803 0.255795 ] [ 0.750867 0.50197 0.255795 ] [ 0.249133 0.49803 0.744205 ] [ 0.249133 0.00197 0.744205 ] [ 0.760258 0.25 0.919961 ] [ 0.216888 0.25 0.3458 ] [ 0.783112 0.75 0.6542 ] [ 0.300531 0.75 0.415821 ] [ 0.699469 0.25 0.584179 ] [ 0.271231 0.25 0.057936 ] [ 0.728769 0.75 0.942064 ] [ 0.711348 0.75 0.081541 ] [ 0.05027 0.25 0.117396 ] [ 0.473696 0.25 0.14006 ] [ 0.217654 0.947144 0.308057 ] [ 0.217654 0.552856 0.308057 ] [ 0.625292 0.75 0.44002 ] [ 0.838296 0.25 0.419429 ] [ 0.161704 0.75 0.580571 ] [ 0.374708 0.25 0.55998 ] [ 0.782346 0.447144 0.691943 ] [ 0.782346 0.052856 0.691943 ] [ 0.526304 0.75 0.85994 ] [ 0.94973 0.75 0.882604 ] [ 0.288652 0.25 0.918459 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "As" "As" "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" 5.29792791 "source-unit" "angstrom" } "b" { "source-value" 6.85711732 "source-unit" "angstrom" } "c" { "source-value" 9.27414904 "source-unit" "angstrom" } "beta" { "source-value" 91.22016535 "source-unit" "degree" } }