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=-128.79615961410406 stress="-0.0006809604993435388 3.219027584486398e-05 0.00011394816587517365 3.219027584486398e-05 -0.0005429543383068107 -1.8877473591812133e-06 0.00011394816587517365 -1.8877473591812133e-06 -0.0006317037271062557" free_energy=-128.79615961410406 pbc="F F F" Si 35.59659101 34.88110533 34.83196958 -1.76426699 -3.68966148 -2.65608026 Si 36.31464608 36.32189943 35.95869181 -0.04383183 3.16800511 0.01414717 Si 38.12833667 37.44445404 35.45239820 -1.31130808 -2.40304792 -4.65499171 Si 39.04960040 39.08843152 36.66265278 -0.42410474 6.62564996 -3.87742404 Si 37.67764627 34.97905277 36.82631841 3.35838996 -2.24553069 -0.20001498 Si 38.69601442 35.78073379 39.06405160 -29.27591958 12.30928884 -38.58640720 Si 35.50496191 37.55191244 37.44771670 -2.81685252 0.34340518 0.25295869 Si 36.16051063 38.84117201 38.99971651 3.23067733 0.09353472 -0.45245183 Si 39.25945657 34.77866895 34.64579749 -1.22272023 2.08454023 3.17298417 Si 41.07461244 36.04989673 36.71826160 -3.29735420 3.91760891 -3.43135903 Si 41.76432720 37.46093488 34.91948616 0.35404073 0.20991623 0.37970347 Si 43.45384109 39.44382930 36.22737277 6.50924525 -4.17444051 -8.73182076 Si 42.11287416 34.62859478 37.24419872 3.20231777 -5.35528153 1.48619362 Si 43.27934600 36.09123122 38.54540346 0.44603271 1.07230445 1.05704810 Si 39.51567701 37.69823237 37.04928231 8.00483930 -17.38239648 7.81075318 Si 40.65679211 38.45530965 39.13350073 0.77815446 0.10403953 -1.82442934 Si 34.89988980 40.23215183 35.48773089 -1.26032441 -1.18426532 0.04738177 Si 36.54714913 41.60304818 35.90503041 -7.58126178 -15.36410756 15.36664681 Si 37.05403308 42.62092295 35.01882052 8.38139537 16.69946807 -14.32770058 Si 38.98197116 43.60936308 36.14608925 -0.61509937 0.85113439 -0.37462043 Si 37.70609579 39.92647898 37.42162521 -12.60364756 2.15064694 0.08674719 Si 38.50709686 41.03156831 38.82895218 -11.37880604 10.82414332 -10.53432382 Si 34.72356389 43.02499545 37.02582404 0.99081803 -0.92334778 -0.00709365 Si 36.27444879 43.34696809 38.85327367 -0.23759218 0.11201832 -0.24253144 Si 39.66068129 40.35760404 35.46522721 -2.98854275 0.20930280 -9.25233183 Si 41.00439459 41.55820902 35.96963622 12.94199929 -8.41850915 -16.33846626 Si 42.30539633 42.10320685 34.94151616 6.47532510 2.55827950 -5.06197574 Si 43.60560318 43.56122166 36.26793754 -0.43659187 -0.46038585 1.05314549 Si 42.42010011 39.94501481 37.40434750 -11.32041160 -1.38007295 4.66333877 Si 43.58168652 41.11354409 38.25203356 5.13175989 5.47916195 3.59156172 Si 40.38688112 42.08824509 37.10112862 -12.52329468 11.95855101 25.12195638 Si 41.86364479 43.83253865 38.91727319 0.53642154 -0.67279471 -0.00568184 Si 34.88538448 34.67718666 39.80800236 -0.02775687 0.05460894 -0.59190026 Si 36.37231050 35.49434032 41.18247499 -2.14039217 3.14517936 -2.36791060 Si 37.90565462 37.01927222 39.86230136 -7.25026461 9.26647339 6.07584248 Si 39.08173909 38.99673192 40.85694090 -2.27929430 -6.60228342 4.77813043 Si 37.66466686 34.80454467 42.57077460 3.32151046 -0.89878879 3.34042312 Si 39.38540304 36.31975269 43.84929664 -4.24403481 -3.27365731 3.43960162 Si 34.90827305 37.87057081 42.49374503 -2.67725186 -3.08987031 -3.09258684 Si 36.13803998 39.26021747 43.23592231 -7.82941328 -1.22771605 8.61172191 Si 39.52038785 35.28966064 39.84018430 34.36280899 -22.52636516 31.98411219 Si 41.17903594 35.90239070 41.30534914 0.72704388 -2.48777658 -7.93348046 Si 42.52005731 37.83401109 40.25839186 -1.53670998 -4.35291793 -2.74949849 Si 43.48432926 39.10244608 41.56983460 6.52508335 -1.31972026 -2.48161042 Si 42.50386392 35.46493207 42.68907096 2.53482150 -2.87113418 3.26722363 Si 43.83346560 36.87796251 43.65287819 0.81920837 1.94614274 0.36599886 Si 40.44279596 37.18842517 42.50519871 0.10738675 8.44792866 0.86629570 Si 41.54230688 39.12261936 43.80474630 -10.35546064 -10.42111199 10.81391517 Si 34.61647270 39.42394794 40.32332272 -1.39120984 0.57666896 2.47807082 Si 36.20895876 41.59838244 41.09690921 -1.29286405 -7.45066444 -3.51577366 Si 37.77109014 42.21644237 40.37960196 2.68287108 0.51872357 -5.11826087 Si 38.30695144 43.65284988 41.47018880 1.43209733 6.60771697 4.10076589 Si 37.43258591 39.75735757 42.42293429 9.96109752 4.09394945 -6.66723355 Si 38.36708142 41.44919299 43.69635628 -2.95999193 -2.39586130 4.52809570 Si 35.10828114 42.15878757 42.20788699 -6.69438636 3.76678056 7.31958217 Si 37.09917336 43.35449108 44.13552476 -0.52354261 0.04487746 -0.84622873 Si 39.58604388 40.46914856 39.65795915 18.39935785 -2.38124215 9.10549517 Si 41.19774168 41.79794575 41.26227964 -5.57358774 -2.09660891 3.98300164 Si 42.50842636 41.77003731 40.29763519 9.67057636 -0.79243242 -7.92848676 Si 43.51134937 43.60664748 41.03929439 0.23449965 1.35286870 0.08594124 Si 42.42006226 39.94587228 42.87054360 4.84035336 12.30697994 -6.78899162 Si 43.71545013 41.23191243 44.07894161 0.56992464 1.69618751 1.01702504 Si 39.70214372 42.25166175 42.49942435 1.48068781 4.39828250 1.57542343 Si 41.37967026 43.39764578 43.87241270 -0.13265419 -1.15237507 -1.19956575