{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0.018496 0.785767 0.410081 ] [ 0.685163 0.1191 0.743415 ] [ 0.351829 0.452433 0.076748 ] [ 0.767271 0.981504 0.410081 ] [ 0.433937 0.314837 0.743415 ] [ 0.100604 0.648171 0.076748 ] [ 0.214233 0.232729 0.410081 ] [ 0.8809 0.566063 0.743415 ] [ 0.547567 0.899396 0.076748 ] [ 0 0 0.997384 ] [ 0.666667 0.333333 0.330717 ] [ 0.333333 0.666667 0.66405 ] [ 0.79592 0.831593 0.715218 ] [ 0.462586 0.164927 0.048551 ] [ 0.129253 0.49826 0.381885 ] [ 0.035674 0.20408 0.715218 ] [ 0.70234 0.537414 0.048551 ] [ 0.369007 0.870747 0.381885 ] [ 0.168407 0.964326 0.715218 ] [ 0.835073 0.29766 0.048551 ] [ 0.50174 0.630993 0.381885 ] [ 0.660339 0.672315 0.595777 ] [ 0.327006 0.005649 0.92911 ] [ 0.993672 0.338982 0.262444 ] [ 0.011976 0.339661 0.595777 ] [ 0.678643 0.672994 0.92911 ] [ 0.34531 0.006328 0.262444 ] [ 0.327685 0.988024 0.595777 ] [ 0.994351 0.321357 0.92911 ] [ 0.661018 0.65469 0.262444 ] [ 0 0 0.218273 ] [ 0.666667 0.333333 0.551606 ] [ 0.333333 0.666667 0.884939 ] [ 0.114619 0.579304 0.57909 ] [ 0.781285 0.912638 0.912424 ] [ 0.447952 0.245971 0.245757 ] [ 0.464686 0.885381 0.57909 ] [ 0.131353 0.218715 0.912424 ] [ 0.798019 0.552048 0.245757 ] [ 0.420696 0.535314 0.57909 ] [ 0.087362 0.868647 0.912424 ] [ 0.754029 0.201981 0.245757 ] [ 0.790788 0.766743 0.606254 ] [ 0.457454 0.100076 0.939588 ] [ 0.124121 0.433409 0.272921 ] [ 0.975955 0.209212 0.606254 ] [ 0.642621 0.542546 0.939588 ] [ 0.309288 0.875879 0.272921 ] [ 0.233257 0.024045 0.606254 ] [ 0.899924 0.357379 0.939588 ] [ 0.566591 0.690712 0.272921 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "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" 8.56243940984 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }