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=-8.690247778198982 stress="8.11772508998788e-05 4.75598293897892e-06 5.72636009466724e-05 4.75598293897892e-06 8.489931992073648e-05 1.322466742955531e-05 5.72636009466724e-05 1.322466742955531e-05 8.658277892350295e-05" free_energy=-8.690247778198982 pbc="F F F" H 35.22086729 34.98310996 34.77096654 -0.03139224 -0.02023057 -0.02748404 H 36.59933616 35.93572417 35.98055861 0.70898954 1.61697413 -0.89304625 H 37.14715992 37.22516294 35.23402360 -0.19242342 -0.91711079 1.51081161 H 37.93229823 38.31172061 36.19084223 -0.49191494 -0.66376751 -0.58622802 H 36.90181109 35.14771729 38.20399864 0.00914324 0.00620449 0.00605784 H 39.35802973 36.07349581 38.45018589 -0.00870984 -0.00941028 0.01090289 H 34.76884260 38.20444678 38.02575960 -0.01181675 -0.00956886 -0.01429020 H 36.55604684 39.07636534 38.99475015 2.22081419 -5.50121809 3.23807314 H 40.23975440 35.55577733 35.25284888 -0.03577150 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37.56749592 -0.00838601 -0.01213298 -0.04160672 H 36.36908973 43.18551945 39.48051560 0.30296049 -0.10149441 -0.01392956 H 40.02960540 40.64290765 34.70374204 -0.00825620 -0.00006363 0.00561500 H 41.60365422 41.12475624 36.46651109 0.58237833 -0.62724567 0.55705883 H 42.56286162 42.72871368 35.08998136 1.58525849 1.05423077 1.07798018 H 43.71638199 43.49207206 35.87683091 -1.58919342 -1.05475610 -1.07384165 H 42.58087455 40.09122498 37.35935114 -0.61572263 0.58975835 -0.55415041 H 43.92708063 41.35110410 38.38525085 0.02390955 0.01970076 0.01402450 H 39.66448343 42.68403127 37.11226018 -3.85744495 2.31687049 -2.65252139 H 40.97555741 43.03958725 38.44435347 1.87818299 -0.04533050 1.15318347 H 35.25675350 34.97050306 39.95289281 -0.06389732 -0.03208826 -0.05978919 H 36.43013495 35.69345059 41.25682430 1.10649431 -0.58484136 1.66336727 H 37.00297454 37.99791377 39.62151619 -2.26358485 5.46138631 -3.17322895 H 38.98336795 38.83593307 41.67855415 -0.00305766 -0.03430976 0.06361298 H 37.25878251 35.19072812 42.53388361 -1.08492230 0.62748185 -1.62288860 H 39.17521305 35.51291381 43.21828129 0.03899805 -0.00939587 0.01655213 H 35.22276123 38.06631282 42.07314480 -0.01398160 -0.01846983 -0.04597667 H 36.22422232 38.91950201 43.68825486 0.04505140 0.03551294 0.01537169 H 39.64179624 35.01293263 40.68543084 -0.02312703 -0.00644991 -0.00313250 H 41.48837336 36.00831489 41.43404765 1.86151132 -2.98513875 1.56765412 H 43.22545337 37.13965284 40.40273117 0.56170763 2.27039942 0.91218182 H 43.60482930 38.56615761 40.95122364 -0.59720868 -2.21314537 -0.85066756 H 42.20384740 34.85081933 42.03810700 -1.85290310 2.99797356 -1.56417311 H 43.59208859 36.28915520 43.84640201 -0.00716865 0.00438344 -0.00734779 H 40.27212323 37.41674853 42.95748976 2.73068387 4.46781219 4.12371934 H 40.81573211 38.30845979 43.78300337 -2.70571979 -4.45420511 -4.12645952 H 34.74716433 40.10348720 40.21931623 -0.01337656 -0.01086248 -0.00155845 H 36.37315191 41.56128158 40.77244511 0.06070034 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43.70522108 0.00113551 -0.00613376 -0.00325031