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=1096.497096013958 stress="-0.003750462894062161 -0.00016585732790813765 -0.00015168121798688684 -0.00016585732790813765 -0.0038186384872842846 -0.00016866321700244408 -0.00015168121798688684 -0.00016866321700244408 -0.003767011470584394" free_energy=1096.497096013958 pbc="F F F" Si 35.42032358 35.20618254 35.13208278 -12.07764125 -14.04462088 -16.97094425 Si 36.13471127 36.09783946 36.17857288 0.41870131 2.78273012 1.72435830 Si 37.60476533 37.67273701 34.82845499 -8.96513390 -2.93987455 -23.29993708 Si 38.59584893 38.04632716 35.89796191 6.90772620 2.70740474 2.65029119 Si 37.15994348 34.66934135 37.46356608 2.28331946 -15.77219434 0.60270576 Si 38.30670149 36.70683445 38.68224913 -6.05756868 -6.37828679 -8.94020078 Si 34.62318784 37.41025204 37.20835245 -14.99614620 0.21549909 1.81312895 Si 35.90417992 39.19980146 38.85163006 -6.82705776 -5.43131670 0.74528053 Si 39.89810616 34.89377634 35.41177341 -7.87916068 -15.75849149 -11.26219009 Si 41.15019835 35.83038615 35.99235299 8.05137328 -3.46672969 -5.58732143 Si 42.16847990 37.95675865 35.25108204 -4.90359585 -7.40333640 -18.45500821 Si 43.29922158 38.71135882 35.85296040 23.02973794 5.30286964 -4.77571346 Si 42.85239068 35.01240128 37.45234021 2.17799414 -22.43015887 -8.08554193 Si 43.39294486 36.10695805 38.24458733 16.22815056 6.06453066 7.71666543 Si 39.92014986 37.02688392 37.97212270 4.30816280 -7.90909218 -2.94527721 Si 40.79471943 38.52293335 38.18263171 4.15241074 7.09708578 1.80956463 Si 35.27479808 39.69067933 35.40822129 -12.66707869 -4.19930468 -13.16149013 Si 36.15028003 41.36586036 36.18980610 -9.51063839 11.82662096 -13.78608319 Si 37.20603072 42.75406269 34.89327316 -2.61698226 7.39646711 -15.80703587 Si 38.64076477 43.47175198 36.41230082 -6.84643703 15.91989511 -5.70334645 Si 36.73863157 40.37912391 37.22493344 4.73044579 -7.22146809 3.26328003 Si 38.26046958 40.57238046 38.91598382 0.09124521 0.88016276 -4.26327558 Si 35.18520417 42.39311133 38.01804135 -14.97373377 5.91595319 0.35336381 Si 36.25453629 44.11552680 38.89295944 -5.08864551 16.32631015 -0.09588036 Si 39.81538569 39.79086484 35.12882103 0.07737197 2.62210149 -13.93684951 Si 40.80243067 41.43362007 36.43948077 4.60976825 -7.23568600 -6.28310508 Si 42.04037017 42.71092282 34.98918040 0.68118303 0.33222018 -12.64233213 Si 43.42717606 43.97355317 35.31540788 10.40524847 9.71549828 -0.87657873 Si 42.70181805 39.85197424 37.48719774 5.15774654 -0.88421660 -0.38678328 Si 43.73023129 41.16452591 38.29167641 17.72616141 8.18753857 1.58998718 Si 40.08432599 42.80170100 37.02682987 2.41724073 11.64494660 2.12334326 Si 40.89846397 43.40520039 39.07416640 2.95681815 18.84624968 -4.29652481 Si 35.47300258 34.67760347 39.48987544 -8.74172621 -10.77233541 0.66679454 Si 35.91888433 36.40949156 40.94409626 -11.03759275 -2.91764219 1.92045980 Si 37.99334471 37.00194958 40.21715574 -2.90401136 -5.85328578 9.33175291 Si 38.23997624 38.90049419 40.81459044 -2.14102804 -0.73491557 -7.15662686 Si 37.26166017 34.88768723 42.69722767 -0.92810093 -12.95695733 5.09342412 Si 38.30668131 36.66473439 43.98202144 0.82251161 -5.48687022 14.92377451 Si 34.88183094 37.20538658 42.99903148 -11.37969256 -2.50524548 6.98917193 Si 36.20091276 39.44648717 43.57843220 -12.63329266 -1.45801042 13.95543772 Si 39.83171727 35.10022228 40.06659996 2.85894523 -15.45435137 3.14204363 Si 41.85574659 36.58920072 41.32942884 -4.36148163 -6.53551398 5.69326619 Si 42.93778783 37.70228217 40.29174816 6.07900358 -3.13452657 -9.05300155 Si 43.94768116 38.75384684 41.17966492 20.83668239 4.35792561 3.73514709 Si 42.79233224 34.89959451 41.93667382 3.86788957 -14.38938018 2.99196957 Si 44.02808356 35.85107016 44.02148302 4.64768317 -1.20559834 7.22764854 Si 39.50649783 37.76424761 42.45743679 6.07766242 -7.79314836 7.67527076 Si 41.46307134 39.05605714 43.43537890 -0.55202671 -8.13506530 23.27003886 Si 34.52035043 39.93934544 40.20509611 -16.34075685 -0.04589910 3.98287946 Si 36.31009551 41.35562370 41.66140345 -7.13453795 4.46817540 1.31532943 Si 37.70526147 42.89810745 39.94354610 -3.87394078 8.17599618 0.56690264 Si 39.46409358 43.37776143 41.08010818 -5.46418520 21.61308121 1.78153597 Si 37.98347639 39.61182000 42.39973678 -2.60341171 -2.94319554 5.78006575 Si 38.24965062 40.78554092 43.57825187 3.14281636 10.27972881 21.94378861 Si 34.52831572 42.84543225 42.07558670 -10.86775177 6.45481707 2.56319957 Si 36.70644570 43.33490468 44.01498291 -1.39177729 7.52898502 7.80201442 Si 40.05734985 40.49196614 40.24631588 -3.33081589 -7.09992829 -8.91639572 Si 41.23598089 41.32163680 41.32532020 12.58289326 -0.66608126 3.27305433 Si 42.00070564 42.02591244 39.93418188 17.77937836 7.30028782 -7.87723654 Si 43.86856859 43.80302833 41.96859840 7.38142830 6.83737632 0.69514434 Si 42.07945678 39.90649301 42.16759987 11.47770171 -1.59855088 2.71265441 Si 44.14549445 40.83223766 43.45938940 10.16811305 2.34523393 8.21403995 Si 40.26201539 42.11862041 42.15449275 -7.43455789 9.91669610 20.38026873 Si 41.13815069 43.54228350 43.74594210 2.39699314 9.69889126 12.54563341