32 Lattice="7.536429194510008 0.0 0.0 0.0 7.536429194510008 0.0 0.0 0.0 7.536429194510008" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.69496843312936 stress="-0.123736802906986 0.010208772867749308 -0.0034069255108922143 0.010208772867749308 -0.12769945900836976 0.00205656085609 -0.0034069255108922143 0.00205656085609 -0.13600476610176584" free_energy=-218.69496843312936 pbc="F F F" W 0.02497496 0.01323085 0.03123472 -1.12803442 -1.16267735 -0.40658443 W 1.85129505 1.85872959 0.00134586 2.74580007 1.41638919 -1.54902220 W 1.89183330 0.01804613 1.89376440 0.92762444 -1.96755352 0.34372024 W 0.00831856 1.88698330 1.88390107 -1.24798910 0.42588362 2.45550824 W 3.76359619 0.02015160 0.00506788 -0.58534492 -0.60814474 -0.79514082 W 5.62958340 1.90512665 0.01305462 1.78983279 -0.71016463 -2.18416214 W 5.62553998 0.00771529 1.87902226 0.66817754 -0.74957712 0.72245488 W 3.79934295 1.90671456 1.86194798 -3.29707250 -0.89385610 2.50469199 W 0.02200795 3.74288879 0.03623267 -1.19895579 0.79427645 -2.22284377 W 1.89355090 5.66189462 0.01187271 0.32301227 1.08175248 -2.30244767 W 1.92048771 3.80559091 1.85924309 -2.25357477 -4.59574102 2.16601673 W 0.04319383 5.62698130 1.86888906 -2.06356450 1.75547699 1.32387242 W 3.74364176 3.75937674 0.03663759 0.45494105 0.50176305 -4.04259391 W 5.62168907 5.62327097 0.02767936 -0.15638082 0.91018497 -0.92177151 W 5.67793071 3.77224770 1.84910263 1.04770904 0.18079323 2.77764795 W 3.73828599 5.64466532 1.89376134 2.71650724 3.48278562 -0.45127851 W 0.02453529 0.02982330 3.78810814 -2.23135493 -2.43787441 -2.79371903 W 1.91278611 1.84676363 3.78587587 -0.69841473 5.20947191 -2.35466569 W 1.86695460 0.01596717 5.62013783 1.70127538 -2.25242008 3.66109736 W 0.00392989 1.84693808 5.62127315 -1.36557850 2.86782664 1.60067779 W 3.74550215 0.03538592 3.80421252 1.64010848 -3.50659448 -3.35736908 W 5.64023862 1.89504719 3.74675410 2.29743427 0.66865283 -0.09787372 W 5.61233801 0.01265267 5.64376551 1.13458935 -0.29132377 0.19628587 W 3.80402876 1.90663299 5.61648577 -1.43802913 2.27997672 3.55136197 W 0.03699212 3.80544141 3.80420640 -2.84521664 -3.04435233 -2.95297115 W 1.89375050 5.63733440 3.76247569 -0.71853245 3.49611586 0.58471662 W 1.86517415 3.76749198 5.64533661 2.22932313 -2.09345181 2.15728127 W 0.02291870 5.61751707 5.65966873 -0.45002674 1.78901535 0.82828700 W 3.75461352 3.78992679 3.73473892 0.92822907 -3.43735661 1.26609222 W 5.64599151 5.61473484 3.80545638 1.11926712 1.56937311 -2.32258874 W 5.68315964 3.79300364 5.66511734 -0.06642602 -1.62528980 0.80503491 W 3.74959096 5.61877552 5.62916250 0.02066470 0.94663975 1.81028492