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=1763699.2747166394 stress="-21.370264693796113 -13.85618738730527 -6.685914984963452 -13.85618738730527 -25.557705845193716 -11.363385459187578 -6.685914984963452 -11.363385459187578 -15.362355756674463" pbc="F F F" Nb 35.46398054 35.06679042 35.44083147 -493964.20671835 -576405.07262977 -139833.66341435 Nb 36.39249987 36.15026548 35.70366843 492198.14867345 574821.05166954 140027.27908271 Nb 37.87507235 37.75283805 35.18664574 362.10717718 498.28555142 -1889.73501862 Nb 39.13421386 38.99838377 36.59115451 320.91762813 599.19610841 2365.68987782 Nb 37.89828214 35.19122757 37.51200452 -7052.48429634 -10010.47752595 -16255.98998380 Nb 38.57506126 36.10666204 39.04854366 12037.04093277 -5276.31029426 10996.84060500 Nb 34.72158150 37.03252266 37.75509413 -3501.80255832 -4406.05838126 -2218.15364774 Nb 35.90897606 38.57523077 38.53049872 51241.83171458 -553958.30889941 -459329.46287959 Nb 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38.68857176 2807.35779789 4185.54930356 3818.96064575 Nb 35.12659940 35.30992036 40.02062817 -1492.73492662 -2250.93100668 -2779.96842963 Nb 35.96891655 36.54657389 41.58634918 8010.48280509 -12708.26954163 -37847.46758095 Nb 37.98580965 37.84321389 39.68261283 -20225.51127183 -703.99817334 -29796.74193071 Nb 38.65662412 38.51779328 41.22555798 -297712.91786747 241750.73654318 -340244.48423359 Nb 37.21658718 35.69960039 43.29878293 -740318.18830722 -430060.48903110 -182843.36121694 Nb 38.43502236 36.39851008 43.60070243 743157.36828783 425503.57094240 185520.12323218 Nb 35.65102060 37.20687845 43.24043984 -13854.82873925 8961.34252282 35125.23140223 Nb 36.32687769 38.94504946 43.98674408 -22572.62897214 -10004.33909579 28814.86895433 Nb 40.76681403 34.91369949 39.77378941 -1621148.29441974 -3746939.80019511 -2659323.71542349 Nb 41.18596316 35.88231824 40.46130997 1604332.61114040 3735525.81642277 2661180.57683053 Nb 42.77597831 36.93572258 40.30298127 -32735.11589706 52106.68527253 88262.97707406 Nb 43.93885477 39.01373687 41.91279232 20613.02556953 -2614.71103788 -10207.20008417 Nb 42.43719801 35.65857302 43.27910257 -77669.64319399 -69487.77991526 -23714.34703268 Nb 43.66356902 36.75600512 43.65360301 77674.54328234 69422.02246314 23752.72660577 Nb 39.52183334 37.88909448 42.26479163 313648.58289316 -226474.50219690 374555.20737059 Nb 41.30259594 38.74722983 43.76205411 -410990.27144880 -211540.59161013 440103.44669026 Nb 35.81054618 39.69443760 39.45932461 -49268.92395129 557224.67902349 462616.83886331 Nb 36.72689441 41.26204096 41.36991264 -347.70532459 535.25932928 -1946.75548580 Nb 37.54520332 42.31401363 39.41795910 109484.74323116 -163515.79467688 105717.82680227 Nb 38.65613260 43.74361828 41.99915437 -413784.08250792 484349.98055111 -110216.76876643 Nb 37.48839975 39.80038835 42.88392056 -54597.94127959 -49286.04404416 -78145.73774201 Nb 38.62678675 40.74686266 43.66467147 81099.34591920 67109.90085411 55858.40558120 Nb 35.50392820 42.11165063 43.14018862 -191787.48914825 -108954.36099715 -47169.90224936 Nb 36.85461278 42.88649529 43.48237508 190465.32343537 109544.70752079 48874.90727142 Nb 39.63964315 39.96958322 39.67291324 17371.41222262 -5978.89029692 20251.58409202 Nb 41.21683753 41.37007570 41.60394520 2921.17420603 -2636.69014908 -1333.12811468 Nb 42.98377144 42.66245013 39.95814261 -8516.61843194 6503.38816924 -32068.24203711 Nb 43.29639472 43.85966844 41.18986286 12292.80472625 46990.88522075 48322.18364051 Nb 42.25139257 39.23560503 42.74784184 390878.90319563 214290.66532784 -429483.23365571 Nb 43.86686023 41.85209996 43.64397205 -10.66862475 -1.89444352 -7.84342393 Nb 39.59697941 42.64077657 42.24842682 303053.72291453 -560486.72213510 62456.40551220 Nb 40.84662431 43.56496146 42.80850923 108131.92753490 79381.59057466 48631.27719958