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=366.12401002221316 stress="-0.00531838982402364 -0.0007731983747361607 -0.0013045306012109763 -0.0007731983747361607 -0.0055575239525595945 0.00020899102634733675 -0.0013045306012109763 0.00020899102634733675 -0.004877633712154387" pbc="F F F" Nb 35.22086729 34.98310996 34.77096654 -14.90942690 -10.74431041 -12.56719336 Nb 36.59933616 35.93572417 35.98055861 -53.33124490 -82.35960824 42.16020325 Nb 37.14715992 37.22516294 35.23402360 -5.99727821 38.85665769 -137.36237870 Nb 37.93229823 38.31172061 36.19084223 58.93049154 66.61775670 53.11567505 Nb 37.29465675 34.93158033 37.44481085 14.83803265 -27.51348366 36.95483115 Nb 38.85840215 35.98056936 38.89217898 -10.47996575 -18.76784385 13.14700192 Nb 35.14633790 38.18034815 37.73408865 -19.04212615 -12.15050388 -15.73960278 Nb 36.55604684 39.07636534 38.99475015 -76.32508178 194.91928952 -91.66712797 Nb 40.57145570 35.62693260 34.97272797 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38.39174556 80.58116395 48.83710489 45.07735819 Nb 35.34278350 42.83814538 37.63905551 -12.82541734 -40.08439797 -72.92196929 Nb 35.60366252 43.66349090 39.11824152 12.28496664 43.11010968 72.06502025 Nb 40.26176311 40.27927672 34.77599447 -0.02141950 0.27884693 2.01587663 Nb 41.60365422 41.12475624 36.46651109 -54.14670031 59.12886541 -52.76272829 Nb 41.67119966 43.29253646 34.78221554 1.98821228 0.17509181 2.25763057 Nb 43.57559210 43.55058575 36.17451505 -4.02952042 -1.66436397 -1.07146712 Nb 42.58087455 40.09122498 37.35935114 52.61058850 -57.70994467 53.21599809 Nb 43.97462727 41.11272182 38.87984742 2.21209512 -0.07255959 1.43087559 Nb 39.66448343 42.68403127 37.11226018 142.89574985 -84.43965009 87.41910279 Nb 40.97555741 43.31914392 38.89352680 -71.95629290 35.00367198 -41.17244743 Nb 34.77045360 35.28866239 39.68786656 -20.02722196 -18.43661402 -11.00924478 Nb 36.11803101 36.55239207 40.36469048 -14.56803677 -37.99070574 38.38828983 Nb 37.00297454 37.99791377 39.62151619 114.05018822 -150.61264955 86.42067603 Nb 38.55150311 38.51894432 41.34725891 -67.31583884 -49.74810815 62.80651317 Nb 37.43970136 35.30962604 42.02044147 -18.66895619 0.58475686 5.18981649 Nb 39.08450338 35.75571598 43.58475277 -35.10629310 -93.92610874 73.05530720 Nb 34.99655912 37.96978731 42.51668654 -38.10137409 -30.52025805 -31.34658603 Nb 36.22422232 38.91950201 43.54655608 -34.84311817 -36.15817656 74.10064996 Nb 39.08532250 35.00206044 40.83625574 12.40414778 -8.58559800 -2.39992895 Nb 41.48837336 36.00831489 41.43404765 -93.33288754 119.82235996 -54.03059673 Nb 42.84911873 37.01595790 40.07449325 -115.32410080 69.85108540 21.37883141 Nb 43.60556472 38.49425818 41.03735392 17.93356772 37.67194078 24.09223872 Nb 42.20384740 34.85081933 42.03810700 78.77874630 -131.66378368 68.60697342 Nb 43.75567948 35.58042468 44.03850275 0.14703783 0.96164932 0.36312725 Nb 39.60939942 37.00409575 42.72323843 42.68603627 90.57489078 -58.61183472 Nb 41.20019904 38.57066019 43.52507188 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-10.42310747 16.99883203 Nb 43.66153064 41.54291660 43.96495890 3.69239260 3.50075201 4.35198946 Nb 40.39757659 42.11536967 42.13716159 -68.60462784 117.23666923 133.83336834 Nb 40.86157597 44.04079721 43.69789396 0.60820478 0.08516057 0.27470005