32 Lattice="7.853402896594419 0.0 0.0 0.0 7.853402896594419 0.0 0.0 0.0 7.853402896594419" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.22801319232354 stress="-0.011184946620214832 0.0014065855633350751 -0.0036977303434986195 0.0014065855633350751 -0.008138986071890921 0.0045084905390901054 -0.0036977303434986195 0.0045084905390901054 -0.0030760529109739128" free_energy=-229.22801319232354 pbc="F F F" W 0.05060788 0.05107115 0.04185461 -0.28032604 -0.32516330 -0.38841565 W 1.96189754 1.99966340 0.02180508 0.55840497 -0.98546262 -0.66431290 W 1.97453392 0.02881435 1.96445861 0.62274079 -0.71642081 -0.42833090 W 0.00906353 1.93976106 1.98117696 -0.56450137 0.58575521 -0.43808367 W 3.97683311 0.01776885 0.00570228 -0.86360062 0.16416368 0.14000840 W 5.90591581 1.94221268 0.04200135 0.31663913 0.75656246 -0.24553771 W 5.91382605 0.02529274 1.98095800 -0.46973209 -0.41878704 0.53073352 W 3.96414083 1.97427195 1.93421752 -0.58910899 -0.76783955 0.82734182 W 0.02598829 3.90673016 0.01838175 -0.21346958 0.61979886 0.43502772 W 1.95069627 5.89452807 0.00441745 0.17482981 -0.29554779 0.07086472 W 1.99504838 3.93250524 1.97278349 -0.70386441 0.31572389 -0.27282569 W 0.01072621 5.91862326 1.96744806 0.18025645 -0.79803981 -0.23279354 W 3.91328913 3.90116273 0.01390387 0.73190883 0.95940593 -0.81124392 W 5.85123075 5.91973907 0.01777998 -0.06964083 -0.54783533 -0.21805219 W 5.85330043 3.96532819 1.97781563 0.98434880 -0.50455398 -0.73307415 W 3.95568491 5.91977982 1.92132288 -0.51470669 0.21730478 0.81957887 W 0.03659588 0.02395244 3.90817866 -0.58249470 -0.20645611 0.77970208 W 1.94022153 1.92865783 3.93863867 0.81004805 0.94452188 0.05030941 W 1.92636000 0.06257079 5.90676503 0.26023733 -0.47949869 0.39220639 W 0.00611684 1.98963264 5.91445065 -0.33738732 -0.24674343 -0.42773936 W 3.89432831 0.00043185 3.96216705 0.67746770 -0.40286148 -0.96017576 W 5.85769254 1.96210925 3.92941972 0.91583115 0.53734159 0.38371627 W 5.85429554 0.02978415 5.87314863 0.33099344 -0.31700163 0.11514612 W 3.95395616 1.95303611 5.87463251 -0.58667019 0.85993314 0.81094259 W 0.02499153 3.88782495 3.88983041 -0.48341033 1.67357967 1.26986158 W 1.98335449 5.87801108 3.89939585 -0.14044049 0.40764157 0.88571403 W 1.95249525 3.94536890 5.90087179 0.35809927 -0.59284857 -0.06795078 W 0.03475576 5.88984762 5.90231063 0.31044774 -0.90772784 -1.39878947 W 3.94253757 3.90664163 3.91765079 -0.18174810 0.88187291 0.75409269 W 5.90708152 5.85754419 3.91870368 -0.81323339 0.34877567 0.79932107 W 5.89815680 3.96547750 5.92200321 -0.26831927 -0.85046688 -0.64133366 W 3.91914828 5.85596852 5.92870763 0.43040096 0.09087362 -1.13590793