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=489.5979786758644 stress="-0.003267529662405452 -0.00034851633727645725 -0.0010972955076598663 -0.00034851633727645725 -0.0033782435885387854 0.00021788182975308095 -0.0010972955076598663 0.00021788182975308095 -0.003131771158210054" free_energy=489.5979786758644 pbc="F F F" Cd 35.22086729 34.98310996 34.77096654 -11.04979608 -7.61181351 -9.78894558 Cd 36.59933616 35.93572417 35.98055861 -24.43039082 -39.04877351 23.57865100 Cd 37.14715992 37.22516294 35.23402360 -4.60355029 19.07785175 -71.94774982 Cd 37.93229823 38.31172061 36.19084223 10.07428859 48.28934459 9.21287436 Cd 37.29465675 34.93158033 37.44481085 5.90019171 -17.41471021 17.83581277 Cd 38.85840215 35.98056936 38.89217898 -2.17586373 6.06210033 -8.27544246 Cd 35.14633790 38.18034815 37.73408865 -12.79598210 -6.82953626 -10.17479807 Cd 36.55604684 39.07636534 38.99475015 -54.67493501 137.27748885 -66.64242368 Cd 40.57145570 35.62693260 34.97272797 -27.27534631 -30.24079900 -38.99994951 Cd 41.39037000 36.49879227 36.11441795 20.78528554 19.31702415 46.60236205 Cd 42.37259861 37.92571855 34.86420263 -39.91604456 -11.81261205 -37.65502605 Cd 43.67982227 38.53498954 35.63512116 48.16480005 20.36661329 26.48786295 Cd 42.81964364 35.29825864 38.27050804 -71.41361752 -64.19112505 -17.92386778 Cd 43.94092265 36.25441176 38.50208346 80.25633314 55.10335460 3.38401811 Cd 39.16411852 37.43584541 37.27535242 22.64750096 -8.44920915 11.80731864 Cd 41.36388939 38.19992824 39.12278255 -7.87160556 6.40489047 -5.91709513 Cd 35.10684061 39.87560386 35.59874332 -39.74659494 -29.67053062 -13.38179582 Cd 36.40759836 40.86482853 36.00231045 35.28033070 27.14803937 13.48675323 Cd 37.19652054 42.63772667 34.73115717 -2.45312744 2.43707999 -9.71263937 Cd 38.61643991 43.32327578 36.40123177 -87.49588222 59.54694720 -55.81587002 Cd 37.95366604 39.88968876 37.71888199 -26.35311682 -15.58787193 -24.70285786 Cd 39.18297782 40.79320854 38.39174556 38.71195034 24.54675710 15.48528075 Cd 35.00000108 42.71371606 37.63905551 -9.15011712 -8.73535701 -14.29785115 Cd 35.88586131 43.66349090 39.11824152 5.85337934 12.18057719 12.07766868 Cd 40.07691087 40.37610830 35.02429146 -6.57949024 -4.22240193 -6.36906793 Cd 41.60365422 41.12475624 36.46651109 -26.55777500 17.10083791 -7.96142383 Cd 41.81572304 42.57418108 35.19237007 3.08214664 18.10748961 -16.84486817 Cd 43.77998887 43.84689383 36.36417419 1.10090812 0.70123103 0.60819591 Cd 42.58087455 40.09122498 37.35935114 24.92596872 -39.94039339 22.23130561 Cd 43.69199418 41.33668068 38.69436414 12.86896977 1.46147684 3.57108356 Cd 39.66448343 42.68403127 37.11226018 86.42284886 -50.46546051 52.06887025 Cd 40.97555741 43.31914392 38.89352680 -37.92263626 20.45663748 -19.57486165 Cd 34.98459340 35.50264861 39.06085604 -1.22928784 -0.32311428 -1.21383758 Cd 36.55186468 35.73647203 41.18239746 -1.44733392 14.64370298 -30.93312787 Cd 37.00297454 37.99791377 39.62151619 54.95267246 -143.69363059 72.78031698 Cd 38.20524683 38.51894432 41.34725891 1.32745592 -4.99305691 7.00293996 Cd 36.63101002 34.97057427 42.79255186 0.46962756 -16.48691626 32.97458929 Cd 39.08450338 35.75571598 43.58475277 -8.33027555 -15.52170626 16.74006588 Cd 34.99655912 37.96978731 42.51668654 -20.13745959 -16.18906498 -15.35716706 Cd 36.22422232 38.91950201 43.54655608 -18.19589519 -18.40582098 40.33965649 Cd 39.28915016 34.98785805 40.51844656 3.21609758 -12.96692389 16.40494317 Cd 41.48837336 36.00831489 41.43404765 -42.84510801 62.32581531 -38.04809911 Cd 42.84911873 37.00221518 40.11836827 -1.57447897 -11.01613066 -1.32455913 Cd 43.60556472 38.49425818 41.03735392 10.98298089 20.29454460 12.60428239 Cd 42.20384740 34.85081933 42.03810700 43.66350624 -79.52603653 34.24187999 Cd 43.15722496 35.78614406 43.84807215 3.96057867 3.39076625 7.44498550 Cd 39.82025233 37.00409575 42.32467804 0.78318059 19.76548862 -6.63440669 Cd 41.14102933 38.65792188 44.04517290 0.50936793 0.70575741 0.48553911 Cd 34.83286624 39.38982713 40.34912361 -10.24932963 4.14212401 5.28925597 Cd 36.31885329 41.93055363 41.19322972 10.60170315 -14.88088513 0.15404984 Cd 37.82350393 42.21827495 39.80335328 -10.28333494 -24.21160859 -36.79564615 Cd 38.63834321 43.28337470 40.87827378 20.40695356 32.06309788 27.21662653 Cd 37.36102597 39.94186987 42.87644269 32.89669813 37.89855920 -18.07287268 Cd 39.42120846 41.01441309 43.95223827 -0.55833192 -2.62624270 6.69953124 Cd 34.72006559 42.56086790 41.95624253 -25.60352072 9.64777811 11.64813215 Cd 36.86909974 43.89192837 42.93209409 0.67467276 1.60943987 1.64716161 Cd 39.64663765 39.85817815 40.37961080 -4.92551401 -12.55929299 -4.06767202 Cd 40.89974943 41.22892384 41.12165250 40.74086796 -56.22725738 -84.55951679 Cd 42.34497277 42.80178516 39.71375535 38.71552665 -9.36660965 27.25132916 Cd 43.84947997 43.91585207 41.75724536 0.21828620 0.47554964 0.98763909 Cd 42.43376557 40.85345170 42.38498733 12.14811317 -11.46389576 3.55322116 Cd 43.66153064 41.54291660 43.96495890 7.08665733 4.54469159 9.08483546 Cd 40.39757659 42.11536967 42.13716159 -42.56357212 74.88448556 77.81203598 Cd 40.86157597 44.04079721 43.69789396 0.97946519 2.70124484 2.19236413