32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=642.300556851 stress="-8.937954511137432 0.029816408712781798 -0.32324326915690227 0.029816408712781798 -9.130207142786825 -0.2624200291723382 -0.32324326915690227 -0.2624200291723382 -9.041898626523082" pbc="F F F" Na -0.29775078 -0.23543288 0.24041959 -11.87845901 -14.25680030 -14.03536705 Na 1.74866818 1.50355292 -0.12299073 -21.82007825 -2.49793046 -41.86750835 Na 1.37888413 0.14016350 1.66251041 -7.52102651 -35.94924381 -10.02389312 Na -0.03212918 1.61468103 1.36330633 -39.54476065 -16.13470695 -17.52620862 Na 3.14899008 0.22699235 0.24732680 -13.93426132 -45.34588435 -47.64351443 Na 4.49147032 1.66936209 0.23073760 56.71883243 -13.56074376 -47.32485939 Na 4.51291827 -0.21428042 1.20983163 39.86633280 -36.32319126 8.68253446 Na 3.10269921 1.36203884 1.51588112 -19.94875608 -4.49489738 10.74766882 Na -0.27467456 3.26855282 -0.13332957 -19.27549032 -12.77503888 -40.08456880 Na 1.58054212 4.57347327 -0.08643896 6.85413468 19.87824799 -18.55895495 Na 1.32555014 2.89338978 1.39601904 18.53190740 14.25513674 -13.98182040 Na -0.25389680 4.30563337 1.22349789 -24.00226812 34.95948929 19.42297610 Na 3.23882690 2.82162002 0.25167485 -20.25536384 35.78714518 -47.23772860 Na 4.57125880 4.77397124 -0.01824403 12.66321808 11.64192759 -15.22109014 Na 4.35307340 2.75061373 1.57279947 59.20987587 29.36085995 7.36176504 Na 3.31580190 4.60754510 1.74591058 -11.80047321 32.55489335 -14.15785213 Na -0.24092403 0.08720832 3.12214205 -35.45661203 -30.36503945 -15.59635162 Na 1.76483007 1.35034852 3.25867950 -13.26800913 4.97069866 -11.18017384 Na 1.21538875 0.05340896 4.39684689 14.67615370 -46.91556896 37.48198869 Na 0.01127622 1.30452574 4.43079040 -36.16961846 25.79850916 38.17447702 Na 3.02345117 -0.02189712 2.95766428 5.96582104 -55.97474885 7.08707617 Na 4.33098047 1.46865364 2.98054070 49.57398527 -11.94137951 -2.75381689 Na 4.79481349 0.20901940 4.28988699 24.20085178 -24.89848014 22.81650969 Na 3.08047535 1.53531583 4.39524162 7.16744855 -9.36269688 58.88809926 Na 0.29740925 2.63089654 2.76145159 -35.80666627 19.14856082 29.70647881 Na 1.53687099 4.55225724 2.83821807 -11.39497950 31.18516596 1.70828713 Na 1.76845615 2.98819998 4.41849172 -19.16083114 7.44350337 33.47584203 Na -0.17491212 4.54879718 4.64646878 -10.67412613 6.19713668 6.98589746 Na 3.13064380 2.93437471 2.85074955 -13.81951457 24.52939430 10.22212802 Na 4.70713328 4.79501558 2.89617920 28.24232487 19.77662541 14.64856609 Na 4.62648720 2.89480571 4.29465254 30.78351064 17.44308865 29.19953892 Na 2.73404592 4.57025425 4.75031331 11.27689744 25.86596784 20.58387460