64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=489.59785396 stress="-1.4190868297636905 -0.1513602646215908 -0.47655529432453164 -0.1513602646215908 -1.4671680101747366 0.0946256698804969 -0.47655529432453164 0.0946256698804969 -1.3601265604850512" pbc="F F F" Cd 0.22086729 -0.01689004 -0.22903346 -11.04978132 -7.61180402 -9.78893167 Cd 1.59933616 0.93572417 0.98055861 -24.43028570 -39.04866230 23.57861354 Cd 2.14715992 2.22516294 0.23402360 -4.60348953 19.07787285 -71.94746326 Cd 2.93229823 3.31172061 1.19084223 10.07426356 48.28910035 9.21283733 Cd 2.29465675 -0.06841967 2.44481085 5.90016110 -17.41464846 17.83574561 Cd 3.85840215 0.98056936 3.89217898 -2.17589121 6.06211966 -8.27548916 Cd 0.14633790 3.18034815 2.73408865 -12.79596402 -6.82954903 -10.17477161 Cd 1.55604684 4.07636534 3.99475015 -54.67484153 137.27731188 -66.64232547 Cd 5.57145570 0.62693260 -0.02727203 -27.27543374 -30.24088140 -39.00006669 Cd 6.39037000 1.49879227 1.11441795 20.78538936 19.31710706 46.60247505 Cd 7.37259861 2.92571855 -0.13579737 -39.91647402 -11.81282139 -37.65529303 Cd 8.67982227 3.53498954 0.63512116 48.16524738 20.36678758 26.48809286 Cd 7.81964364 0.29825864 3.27050804 -71.41370478 -64.19122615 -17.92389165 Cd 8.94092265 1.25441176 3.50208346 80.25645213 55.10341464 3.38397946 Cd 4.16411852 2.43584541 2.27535242 22.64739787 -8.44915317 11.80725737 Cd 6.36388939 3.19992824 4.12278255 -7.87163181 6.40490916 -5.91712616 Cd 0.10684061 4.87560386 0.59874332 -39.74645299 -29.67041585 -13.38176384 Cd 1.40759836 5.86482853 1.00231045 35.28018262 27.14791492 13.48671223 Cd 2.19652054 7.63772667 -0.26884283 -2.45314228 2.43707857 -9.71267326 Cd 3.61643991 8.32327578 1.40123177 -87.49583617 59.54693840 -55.81583027 Cd 2.95366604 4.88968876 2.71888199 -26.35313958 -15.58790327 -24.70287193 Cd 4.18297782 5.79320854 3.39174556 38.71193476 24.54677088 15.48522608 Cd 0.00000108 7.71371606 2.63905551 -9.15013643 -8.73536571 -14.29787004 Cd 0.88586131 8.66349090 4.11824152 5.85339912 12.18059355 12.07768168 Cd 5.07691087 5.37610830 0.02429146 -6.57954775 -4.22243002 -6.36910923 Cd 6.60365422 6.12475624 1.46651109 -26.55791537 17.10098191 -7.96150341 Cd 6.81572304 7.57418108 0.19237007 3.08215219 18.10753976 -16.84491842 Cd 8.77998887 8.84689383 1.36417419 1.10092322 0.70124418 0.60820090 Cd 7.58087455 5.09122498 2.35935114 24.92611805 -39.94055394 22.23149733 Cd 8.69199418 6.33668068 3.69436414 12.86902442 1.46143692 3.57105733 Cd 4.66448343 7.68403127 2.11226018 86.42282255 -50.46542858 52.06885088 Cd 5.97555741 8.31914392 3.89352680 -37.92286924 20.45673598 -19.57499789 Cd -0.01540660 0.50264861 4.06085604 -1.22927961 -0.32310617 -1.21383401 Cd 1.55186468 0.73647203 6.18239746 -1.44735619 14.64378298 -30.93332407 Cd 2.00297454 2.99791377 4.62151619 54.95266559 -143.69344284 72.78024882 Cd 3.20524683 3.51894432 6.34725891 1.32744963 -4.99298824 7.00288256 Cd 1.63101002 -0.02942573 7.79255186 0.46962995 -16.48700870 32.97477902 Cd 4.08450338 0.75571598 8.58475277 -8.33026569 -15.52169967 16.74007143 Cd -0.00344088 2.96978731 7.51668654 -20.13755830 -16.18910544 -15.35727538 Cd 1.22422232 3.91950201 8.54655608 -18.19567709 -18.40563190 40.33966711 Cd 4.28915016 -0.01214195 5.51844656 3.21614161 -12.96691062 16.40494938 Cd 6.48837336 1.00831489 6.43404765 -42.84499041 62.32553502 -38.04795473 Cd 7.84911873 2.00221518 5.11836827 -1.57441686 -11.01596772 -1.32442186 Cd 8.60556472 3.49425818 6.03735392 10.98292161 20.29441855 12.60421331 Cd 7.20384740 -0.14918067 7.03810700 43.66330063 -79.52581351 34.24167967 Cd 8.15722496 0.78614406 8.84807215 3.96060235 3.39080785 7.44503948 Cd 4.82025233 2.00409575 7.32467804 0.78318543 19.76548539 -6.63441167 Cd 6.14102933 3.65792188 9.04517290 0.50936235 0.70575449 0.48554789 Cd -0.16713376 4.38982713 5.34912361 -10.24936251 4.14210491 5.28928637 Cd 1.31885329 6.93055363 6.19322972 10.60172488 -14.88088897 0.15404594 Cd 2.82350393 7.21827495 4.80335328 -10.28329624 -24.21153482 -36.79556635 Cd 3.63834321 8.28337470 5.87827378 20.40692764 32.06301099 27.21656387 Cd 2.36102597 4.94186987 7.87644269 32.89659766 37.89839558 -18.07283130 Cd 4.42120846 6.01441309 8.95223827 -0.55831535 -2.62623623 6.69950216 Cd -0.27993441 7.56086790 6.95624253 -25.60353946 9.64777646 11.64813445 Cd 1.86909974 8.89192837 7.93209409 0.67467668 1.60945112 1.64717518 Cd 4.64663765 4.85817815 5.37961080 -4.92553829 -12.55932529 -4.06755908 Cd 5.89974943 6.22892384 6.12165250 40.74075147 -56.22711902 -84.55934847 Cd 7.34497277 7.80178516 4.71375535 38.71572459 -9.36666159 27.25151153 Cd 8.84947997 8.91585207 6.75724536 0.21828073 0.47554520 0.98763832 Cd 7.43376557 5.85345170 7.38498733 12.14813322 -11.46391554 3.55320604 Cd 8.66153064 6.54291660 8.96495890 7.08666604 4.54470123 9.08484711 Cd 5.39757659 7.11536967 7.13716159 -42.56354395 74.88431561 77.81182948 Cd 5.86157597 9.04079721 8.69789396 0.97946702 2.70125595 2.19237715