32 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=642.3005568514399 stress="-0.01510393997251004 5.038571709360484e-05 -0.0005462376126193252 5.038571709360484e-05 -0.01542882104058553 -0.00044345452455190227 -0.0005462376126193252 -0.00044345452455190227 -0.015279591535440208" free_energy=642.3005568514399 pbc="F F F" Na 20.70224922 20.76456712 21.24041959 -11.87845901 -14.25680030 -14.03536705 Na 22.74866818 22.50355292 20.87700927 -21.82007825 -2.49793046 -41.86750835 Na 22.37888413 21.14016350 22.66251041 -7.52102651 -35.94924381 -10.02389312 Na 20.96787082 22.61468103 22.36330633 -39.54476065 -16.13470695 -17.52620862 Na 24.14899008 21.22699235 21.24732680 -13.93426132 -45.34588435 -47.64351443 Na 25.49147032 22.66936209 21.23073760 56.71883243 -13.56074376 -47.32485939 Na 25.51291827 20.78571958 22.20983163 39.86633280 -36.32319126 8.68253446 Na 24.10269921 22.36203884 22.51588112 -19.94875608 -4.49489738 10.74766882 Na 20.72532544 24.26855282 20.86667043 -19.27549032 -12.77503888 -40.08456880 Na 22.58054212 25.57347327 20.91356104 6.85413468 19.87824799 -18.55895495 Na 22.32555014 23.89338978 22.39601904 18.53190740 14.25513674 -13.98182040 Na 20.74610320 25.30563337 22.22349789 -24.00226812 34.95948929 19.42297610 Na 24.23882690 23.82162002 21.25167485 -20.25536384 35.78714518 -47.23772860 Na 25.57125880 25.77397124 20.98175597 12.66321808 11.64192759 -15.22109014 Na 25.35307340 23.75061373 22.57279947 59.20987587 29.36085995 7.36176504 Na 24.31580190 25.60754510 22.74591058 -11.80047321 32.55489335 -14.15785213 Na 20.75907597 21.08720832 24.12214205 -35.45661203 -30.36503945 -15.59635162 Na 22.76483007 22.35034852 24.25867950 -13.26800913 4.97069866 -11.18017384 Na 22.21538875 21.05340896 25.39684689 14.67615370 -46.91556896 37.48198869 Na 21.01127622 22.30452574 25.43079040 -36.16961846 25.79850916 38.17447702 Na 24.02345117 20.97810288 23.95766428 5.96582104 -55.97474885 7.08707617 Na 25.33098047 22.46865364 23.98054070 49.57398527 -11.94137951 -2.75381689 Na 25.79481349 21.20901940 25.28988699 24.20085178 -24.89848014 22.81650969 Na 24.08047535 22.53531583 25.39524162 7.16744855 -9.36269688 58.88809926 Na 21.29740925 23.63089654 23.76145159 -35.80666627 19.14856082 29.70647881 Na 22.53687099 25.55225724 23.83821807 -11.39497950 31.18516596 1.70828713 Na 22.76845615 23.98819998 25.41849172 -19.16083114 7.44350337 33.47584203 Na 20.82508788 25.54879718 25.64646878 -10.67412613 6.19713668 6.98589746 Na 24.13064380 23.93437471 23.85074955 -13.81951457 24.52939430 10.22212802 Na 25.70713328 25.79501558 23.89617920 28.24232487 19.77662541 14.64856609 Na 25.62648720 23.89480571 25.29465254 30.78351064 17.44308865 29.19953892 Na 23.73404592 25.57025425 25.75031331 11.27689744 25.86596784 20.58387460