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=489.597978676 stress="-1.4190861823091712 -0.15136043728336718 -0.4765547841067848 -0.15136043728336718 -1.4671691743543995 0.09462594862906068 -0.4765547841067848 0.09462594862906068 -1.360126344958291" pbc="F F F" Cd 0.22086729 -0.01689004 -0.22903346 -11.04979608 -7.61181351 -9.78894558 Cd 1.59933616 0.93572417 0.98055861 -24.43039082 -39.04877351 23.57865100 Cd 2.14715992 2.22516294 0.23402360 -4.60355029 19.07785175 -71.94774982 Cd 2.93229823 3.31172061 1.19084223 10.07428859 48.28934459 9.21287436 Cd 2.29465675 -0.06841967 2.44481085 5.90019171 -17.41471021 17.83581277 Cd 3.85840215 0.98056936 3.89217898 -2.17586373 6.06210033 -8.27544246 Cd 0.14633790 3.18034815 2.73408865 -12.79598210 -6.82953626 -10.17479807 Cd 1.55604684 4.07636534 3.99475015 -54.67493501 137.27748885 -66.64242368 Cd 5.57145570 0.62693260 -0.02727203 -27.27534631 -30.24079900 -38.99994951 Cd 6.39037000 1.49879227 1.11441795 20.78528554 19.31702415 46.60236205 Cd 7.37259861 2.92571855 -0.13579737 -39.91604456 -11.81261205 -37.65502605 Cd 8.67982227 3.53498954 0.63512116 48.16480005 20.36661329 26.48786295 Cd 7.81964364 0.29825864 3.27050804 -71.41361752 -64.19112505 -17.92386778 Cd 8.94092265 1.25441176 3.50208346 80.25633314 55.10335460 3.38401811 Cd 4.16411852 2.43584541 2.27535242 22.64750096 -8.44920915 11.80731864 Cd 6.36388939 3.19992824 4.12278255 -7.87160556 6.40489047 -5.91709513 Cd 0.10684061 4.87560386 0.59874332 -39.74659494 -29.67053062 -13.38179582 Cd 1.40759836 5.86482853 1.00231045 35.28033070 27.14803937 13.48675323 Cd 2.19652054 7.63772667 -0.26884283 -2.45312744 2.43707999 -9.71263937 Cd 3.61643991 8.32327578 1.40123177 -87.49588222 59.54694720 -55.81587002 Cd 2.95366604 4.88968876 2.71888199 -26.35311682 -15.58787193 -24.70285786 Cd 4.18297782 5.79320854 3.39174556 38.71195034 24.54675710 15.48528075 Cd 0.00000108 7.71371606 2.63905551 -9.15011712 -8.73535701 -14.29785115 Cd 0.88586131 8.66349090 4.11824152 5.85337934 12.18057719 12.07766868 Cd 5.07691087 5.37610830 0.02429146 -6.57949024 -4.22240193 -6.36906793 Cd 6.60365422 6.12475624 1.46651109 -26.55777500 17.10083791 -7.96142383 Cd 6.81572304 7.57418108 0.19237007 3.08214664 18.10748961 -16.84486817 Cd 8.77998887 8.84689383 1.36417419 1.10090812 0.70123103 0.60819591 Cd 7.58087455 5.09122498 2.35935114 24.92596872 -39.94039339 22.23130561 Cd 8.69199418 6.33668068 3.69436414 12.86896977 1.46147684 3.57108356 Cd 4.66448343 7.68403127 2.11226018 86.42284886 -50.46546051 52.06887025 Cd 5.97555741 8.31914392 3.89352680 -37.92263626 20.45663748 -19.57486165 Cd -0.01540660 0.50264861 4.06085604 -1.22928784 -0.32311428 -1.21383758 Cd 1.55186468 0.73647203 6.18239746 -1.44733392 14.64370298 -30.93312787 Cd 2.00297454 2.99791377 4.62151619 54.95267246 -143.69363059 72.78031698 Cd 3.20524683 3.51894432 6.34725891 1.32745592 -4.99305691 7.00293996 Cd 1.63101002 -0.02942573 7.79255186 0.46962756 -16.48691626 32.97458929 Cd 4.08450338 0.75571598 8.58475277 -8.33027555 -15.52170626 16.74006588 Cd -0.00344088 2.96978731 7.51668654 -20.13745959 -16.18906498 -15.35716706 Cd 1.22422232 3.91950201 8.54655608 -18.19589519 -18.40582098 40.33965649 Cd 4.28915016 -0.01214195 5.51844656 3.21609758 -12.96692389 16.40494317 Cd 6.48837336 1.00831489 6.43404765 -42.84510801 62.32581531 -38.04809911 Cd 7.84911873 2.00221518 5.11836827 -1.57447897 -11.01613066 -1.32455913 Cd 8.60556472 3.49425818 6.03735392 10.98298089 20.29454460 12.60428239 Cd 7.20384740 -0.14918067 7.03810700 43.66350624 -79.52603653 34.24187999 Cd 8.15722496 0.78614406 8.84807215 3.96057867 3.39076625 7.44498550 Cd 4.82025233 2.00409575 7.32467804 0.78318059 19.76548862 -6.63440669 Cd 6.14102933 3.65792188 9.04517290 0.50936793 0.70575741 0.48553911 Cd -0.16713376 4.38982713 5.34912361 -10.24932963 4.14212401 5.28925597 Cd 1.31885329 6.93055363 6.19322972 10.60170315 -14.88088513 0.15404984 Cd 2.82350393 7.21827495 4.80335328 -10.28333494 -24.21160859 -36.79564615 Cd 3.63834321 8.28337470 5.87827378 20.40695356 32.06309788 27.21662653 Cd 2.36102597 4.94186987 7.87644269 32.89669813 37.89855920 -18.07287268 Cd 4.42120846 6.01441309 8.95223827 -0.55833192 -2.62624270 6.69953124 Cd -0.27993441 7.56086790 6.95624253 -25.60352072 9.64777811 11.64813215 Cd 1.86909974 8.89192837 7.93209409 0.67467276 1.60943987 1.64716161 Cd 4.64663765 4.85817815 5.37961080 -4.92551401 -12.55929299 -4.06767202 Cd 5.89974943 6.22892384 6.12165250 40.74086796 -56.22725738 -84.55951679 Cd 7.34497277 7.80178516 4.71375535 38.71552665 -9.36660965 27.25132916 Cd 8.84947997 8.91585207 6.75724536 0.21828620 0.47554964 0.98763909 Cd 7.43376557 5.85345170 7.38498733 12.14811317 -11.46389576 3.55322116 Cd 8.66153064 6.54291660 8.96495890 7.08665733 4.54469159 9.08483546 Cd 5.39757659 7.11536967 7.13716159 -42.56357212 74.88448556 77.81203598 Cd 5.86157597 9.04079721 8.69789396 0.97946519 2.70124484 2.19236413