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=218.3925846239788 stress="-0.0010706163315423044 -8.923880446865927e-05 -2.1138854748929577e-05 -8.923880446865927e-05 -0.0011703349020986606 2.2887519159847484e-06 -2.1138854748929577e-05 2.2887519159847484e-06 -0.0011345380151521164" free_energy=218.3925846239788 pbc="F F F" F 35.31435322 34.58063447 35.04717136 -9.17800927 -6.89606402 -7.86167031 F 36.42789546 35.43122280 36.01696792 -5.82067203 2.36487382 -1.14664040 F 37.42722666 37.08606385 35.40189209 0.97245648 6.26965717 -5.58251189 F 38.90092885 38.59558632 36.63519191 4.81313872 0.73413372 -18.36091312 F 37.59040093 35.27898005 37.12715892 10.04008474 -4.13223793 12.42551313 F 39.60723268 36.02472218 38.78722957 -5.27322140 8.78100262 -6.75212500 F 34.75377459 37.57947995 37.27807672 -2.87621142 -3.17504903 -3.81592233 F 35.47042730 38.54147278 38.98685061 6.94833014 -10.15446156 -2.02992142 F 39.53746399 35.30192765 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34.91083227 42.97212466 38.45685876 -4.16754981 -1.16858500 -0.44545807 F 36.93322607 44.00449630 38.57296727 0.28855024 6.88103348 -3.41843663 F 40.37104792 39.79512469 34.99072582 -0.62478586 0.14763070 -3.02278313 F 41.36700644 41.71832332 36.46596568 5.46655086 -3.65607195 1.75970473 F 42.18710690 42.21030084 34.85610097 2.69815613 0.20473697 -9.37236563 F 43.44865936 44.03158367 35.62455461 1.97593777 2.67675140 1.22873365 F 42.83694297 39.83122323 37.52743065 -12.32076013 -4.57424452 -0.28954540 F 43.47812745 41.01345783 38.44476094 6.90447250 10.61051459 7.93314162 F 39.88303760 42.10353017 37.34123633 9.94338507 -1.66432859 -2.32543433 F 41.28471046 43.78057622 38.81614128 0.97178086 2.56294578 -0.39497206 F 35.30219023 35.42820130 40.35445690 -8.92934686 -1.93465556 -15.06331227 F 36.14138898 35.49360438 41.69755414 7.02543569 -2.24886920 11.62460408 F 37.60791921 37.50063500 39.50923771 -0.38272599 -1.01326515 2.14459067 F 39.23852979 38.77380287 41.31500141 -6.74214602 6.29708836 -3.82704929 F 38.09480896 34.59709723 42.52816883 1.09725611 -6.51053029 -0.86586260 F 38.80820960 36.38054110 43.33659577 -2.88242425 0.53519132 7.11962579 F 35.49718848 37.54241935 42.09930779 -3.22472218 2.74797436 0.73479765 F 36.60541255 39.24586757 43.59164599 -25.50893774 -21.34995107 41.00760781 F 40.01133481 34.85295928 39.59119757 4.59219243 -17.38202291 10.82874480 F 41.16658648 36.70252488 41.44834082 4.11296019 -9.56608099 -6.42056672 F 42.27054782 37.76304416 40.33540718 8.56589533 2.65242665 3.71289816 F 43.79479692 39.39551967 41.60434055 8.31070301 -1.46456456 -2.74747564 F 42.08187447 35.38906298 42.73034677 -0.25148531 -6.44720626 2.42492706 F 44.09407275 36.05871250 43.47415776 3.95044126 1.19828564 1.30453216 F 40.01665336 37.50917172 42.26111682 -5.08022915 2.57630341 8.32011436 F 41.70239877 38.39112215 43.61223586 0.83559228 -2.47646366 8.12911448 F 34.74196566 39.83079208 39.56406873 -11.63734674 10.51006334 1.55092934 F 35.90648221 40.65837030 40.96509596 4.13713529 0.64478868 -0.68850388 F 37.64020079 42.62586043 39.91185105 -0.86594620 -2.96393890 7.21352847 F 39.58227856 43.85663019 41.05447090 -0.23558049 2.70668325 0.32869550 F 37.11709826 39.67331728 42.81854688 24.06908285 18.20557936 -37.26792811 F 38.69479142 41.08464508 43.31615140 -6.95232930 -7.73227994 2.45070953 F 35.26907001 42.10439904 42.37641515 -3.25964439 1.88033770 1.55547514 F 36.10165718 43.86226955 43.68722285 1.37498495 2.38516384 1.66438162 F 39.93827332 39.89829516 39.57321282 1.25382380 2.28666637 -2.10093024 F 40.58656461 41.35424963 41.74431004 -0.30385478 0.23531250 -6.17544768 F 42.73319587 42.22044923 40.50327511 -0.65344792 -6.61721301 -3.44288024 F 43.13177297 43.82950610 41.37658360 3.83825780 8.20499378 2.14268416 F 42.04250630 39.93866780 42.35296895 -2.34382684 2.75416233 -0.11821765 F 43.56506606 41.36559241 43.79121487 1.99366978 0.85024274 2.31972512 F 39.74154216 42.33989087 43.37281513 5.20003855 12.40431832 5.92483921 F 41.89079412 43.69132102 43.47975823 0.21257401 2.19006877 2.94669488