16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=21230.279832426928 stress="-1.1734288019974923 0.3695575078223263 0.0055775818063541075 0.3695575078223263 -1.2741062159971834 -0.21875626519124267 0.0055775818063541075 -0.21875626519124267 -1.0825145069241942" pbc="F F F" Rb 20.76389814 21.09458521 20.96815480 -2445.99165530 -2571.87297539 -2552.66875539 Rb 22.05920741 22.51698294 22.32920100 2022.30004141 -3276.03075868 795.42166871 Rb 23.82968213 20.95339853 20.94305319 231.39852425 -1882.01756972 -983.68541585 Rb 25.45757549 22.78337079 22.56856017 14871.24345681 -5296.08870958 8248.91022289 Rb 20.99800673 24.27695831 20.89582399 -3738.22117640 -970.04765401 -4402.42888579 Rb 22.36446611 25.43883003 22.38488898 4158.57138262 6275.71488768 -438.71601441 Rb 23.93469302 23.48488482 21.28404603 -9697.93267530 7298.89872204 -13501.73920690 Rb 25.28505429 25.27478463 22.44025576 2254.27610079 3987.55369953 -1023.96243619 Rb 21.20530568 20.74132060 23.94728664 -881.16549805 -1526.70960493 606.56538183 Rb 22.47259572 22.31981676 25.71598114 -86.95581618 -47.25271018 1004.09754061 Rb 24.41234951 20.95726043 23.70040839 -1550.65957620 -3506.81275821 1424.85081429 Rb 25.23146035 22.89682649 25.27874255 6521.14441433 -6428.39013180 5899.43202099 Rb 21.15199010 24.02929643 23.79832222 -5873.35975220 738.63978855 6176.01639892 Rb 22.77978379 25.57093875 25.24833221 -20500.43266145 25079.49100735 20282.88011265 Rb 23.87731200 24.27180537 24.21051108 12779.34973114 -19892.45528521 -22804.58480095 Rb 25.65148578 25.47421492 25.47167277 1936.43515973 2017.38005256 1269.61135458