64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=17.977246921971236 stress="-0.0010111641717745398 -0.00044124915980688035 -3.542579179048256e-05 -0.00044124915980688035 -0.000900248741864657 -0.00016308416394273916 -3.542579179048256e-05 -0.00016308416394273916 -0.0005848457446818469" free_energy=17.977246921971236 pbc="F F F" Si 35.46125327 34.75719783 34.59897866 -1.63890596 -2.50836332 -1.11280360 Si 36.47620212 36.34652551 35.34224340 -9.76643898 -9.91382101 0.98180984 Si 37.64169878 37.61005647 35.34049754 10.66913124 11.78998952 0.72858567 Si 39.02502922 39.12633463 36.13110533 -7.85791760 -6.49794326 10.84701666 Si 37.51686300 35.23019854 37.57132378 -7.70748574 5.13671942 0.25283157 Si 38.66386972 36.68300590 38.69445404 -65.26057428 -2.41571639 33.31906904 Si 35.91606586 36.98590141 37.67231423 6.33169772 -3.06367594 1.44223443 Si 36.66265278 38.93363838 38.91899002 -3.33343462 -6.03547542 -2.89433557 Si 39.79798175 35.04375631 34.70912019 0.00000000 0.00000000 0.00000000 Si 41.75938237 36.99569977 36.90228075 7.42554674 -1.21510383 -7.16125383 Si 42.44172459 37.51426011 34.81277780 -2.20597665 -0.73216225 -0.45460370 Si 43.96735612 37.94635882 36.18609784 2.49066847 0.78816131 1.55433642 Si 41.71154647 34.82461244 37.32688397 0.37163934 -0.59829483 -0.00909000 Si 43.89779506 36.02092114 38.74006651 -4.30734091 4.39873291 4.37145338 Si 39.79459957 36.73129353 37.97434521 49.46733483 5.37814249 -45.00745811 Si 40.83910862 38.36287416 38.37859478 2.20850663 12.30124309 7.66861880 Si 34.56691485 40.01153482 34.71238529 3.22777948 1.55358577 3.60343914 Si 36.12858880 40.76567701 36.44823237 -0.15359360 6.73736059 -8.57778337 Si 37.43754645 42.23142533 35.24273086 -5.21158041 -5.50097305 4.28730427 Si 39.62916908 43.90944481 36.10151413 0.00964699 -4.30269216 4.02216884 Si 37.70055288 40.29714913 37.85304818 -34.85944337 -25.91633061 -53.18646097 Si 38.40503041 40.80403308 38.87092295 35.98306106 28.13605505 52.86030907 Si 35.14766645 42.52097969 37.78185564 -20.59937561 -26.79115910 -14.89998861 Si 36.06053377 43.63146257 38.31634164 21.74588632 24.19992384 13.76879020 Si 39.92162521 39.74469792 34.78156831 9.16984385 6.61483974 -12.24239083 Si 41.06939718 41.32731518 36.94392738 34.78697910 -25.09086977 -14.51936265 Si 42.49116964 42.78748862 34.81882234 7.62082739 1.56771017 10.21141842 Si 43.91439302 43.08026547 36.72585012 -7.62082739 -1.56771017 -10.21141842 Si 42.96522721 39.75439459 37.80820902 -12.78670001 -33.03799048 -13.84635256 Si 43.46963622 41.05539633 38.35320685 11.89360090 34.55279080 14.93988790 Si 39.94151616 42.10433959 37.45003087 -32.81782943 31.01624763 8.73750636 Si 41.32550802 43.67010011 38.95988817 -27.36478733 20.24071283 -17.04955966 Si 34.68462472 34.83168652 40.11480767 -0.69814678 -0.98664732 -0.16249461 Si 35.75203356 36.63688112 40.44508176 -24.74731505 -18.09741523 0.42493200 Si 37.04355814 37.53298454 40.48941518 21.14084349 14.94196787 0.20767734 Si 38.69751650 38.67139371 40.88921942 -14.93511177 -9.69912454 9.72660229 Si 37.00121598 35.02048984 42.55959378 0.34648360 0.42186414 0.16473608 Si 38.40102920 36.65565462 43.03339806 -8.05481521 -7.79164228 2.30513279 Si 35.08205805 37.75156541 42.74673192 -6.05870113 -8.93013152 -6.83027944 Si 35.85694090 38.99211558 43.77742475 10.51543267 10.74108893 4.39161317 Si 40.12996245 35.44332522 40.01627639 3.92539115 -11.06586798 12.31310526 Si 41.12491845 36.55784401 41.54860697 0.50361447 -0.19742678 0.97759845 Si 42.65347622 37.31796343 40.11944526 5.14026121 -4.91959107 -6.88580559 Si 43.62647937 38.55183364 41.53966064 -1.12286652 5.35623452 6.02998641 Si 42.42035798 34.85158722 42.02864737 0.99328170 -1.28017997 0.94874027 Si 43.74616128 36.34303122 43.85512842 0.00000000 0.00000000 0.00000000 Si 39.73250976 37.93711901 42.72510277 1.44194967 -0.58498745 -3.15421088 Si 40.76107023 39.17717704 43.60976866 13.18901590 9.92843730 4.55915362 Si 35.22251000 40.24364830 40.39090109 -18.47939635 -18.44489438 -8.57117595 Si 36.30800575 41.30517182 40.93842517 9.84280632 10.46019549 16.60423551 Si 37.24120044 42.43450067 39.86365884 8.54577922 10.46151265 -6.55358897 Si 39.14927955 43.41172678 41.09963249 -3.92871433 1.54735475 -2.26538060 Si 37.74014761 39.95895876 43.01266081 -8.14165990 -6.89180264 1.49228232 Si 38.80881729 41.52109014 43.35720695 1.19393308 3.60624795 2.45457164 Si 35.13697853 42.43632579 42.37030898 -0.24761797 0.80611382 1.54992679 Si 36.76741980 43.95171837 44.03043446 0.00000000 0.00000000 0.00000000 Si 39.92293429 39.53900512 40.19919299 20.67763661 9.51047917 -15.02081474 Si 41.19635628 41.47405928 41.36196296 12.59830686 -25.92619949 -18.67654952 Si 42.40208399 42.87458466 39.63213332 28.25788644 -21.75551315 15.95602431 Si 44.04888630 43.57310531 41.56402100 0.00000000 0.00000000 0.00000000 Si 42.97445749 39.94774168 43.19979022 -17.65114854 -28.15982899 -11.58342305 Si 43.76227964 41.25842636 43.66771988 13.03869592 22.38998868 8.40102922 Si 40.67144972 42.63920620 42.23960379 -7.71591209 24.46359773 16.38448240 Si 40.95900493 43.32552900 44.18518579 0.52014914 0.87223622 2.38797535