{ "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" [ [ 0.244282 0.012645 0.213633 ] [ 0.244282 0.487355 0.213633 ] [ 0.755718 0.512645 0.786367 ] [ 0.755718 0.987355 0.786367 ] [ 0.782494 0.75 0.377388 ] [ 0.217506 0.25 0.622612 ] [ 0.708694 0.25 0.426654 ] [ 0.291306 0.75 0.573346 ] [ 0.731826 0.75 0.093529 ] [ 0.268174 0.25 0.906471 ] [ 0.303946 0.25 0.031073 ] [ 0.939043 0.75 0.153707 ] [ 0.557719 0.75 0.174393 ] [ 0.789435 0.075064 0.356137 ] [ 0.789435 0.424936 0.356137 ] [ 0.183619 0.75 0.426877 ] [ 0.438406 0.25 0.431396 ] [ 0.561594 0.75 0.568604 ] [ 0.816381 0.25 0.573123 ] [ 0.210565 0.575064 0.643863 ] [ 0.210565 0.924936 0.643863 ] [ 0.442281 0.25 0.825607 ] [ 0.060957 0.25 0.846293 ] [ 0.696054 0.75 0.968927 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Nd" "Nd" "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" 5.78147135 "source-unit" "angstrom" } "b" { "source-value" 7.3357948 "source-unit" "angstrom" } "c" { "source-value" 10.10280086 "source-unit" "angstrom" } "beta" { "source-value" 93.14045742 "source-unit" "degree" } }