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=-13.79745409782909 stress="0.00011334892827030044 -1.4921602341253745e-05 4.1359155052300516e-05 -1.4921602341253745e-05 8.986765627230996e-05 2.3097275547542617e-05 4.1359155052300516e-05 2.3097275547542617e-05 9.302344174261103e-05" free_energy=-13.79745409782909 pbc="F F F" H 34.91051063 35.06418477 35.24971651 3.56917244 3.50094039 2.50819884 H 35.82992312 35.96549094 35.89579749 -3.53539364 -3.56327211 -2.49990938 H 37.71287658 37.47718060 35.96392995 0.15107990 0.68450750 0.06855802 H 38.10044089 39.31232836 36.18089834 -0.43006096 -0.36404392 0.23761917 H 37.20384109 35.14971199 37.08910862 1.41568738 0.47837433 1.51589206 H 38.36287416 35.51845744 38.31691485 -1.45573634 -0.47067852 -1.55155753 H 34.90998370 37.49956330 37.37009617 0.71682785 0.83191350 0.93530468 H 35.83753773 38.52573981 38.52113656 -0.68203093 -0.87141007 -0.86970433 H 39.74382426 35.18369307 35.12914661 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42.36354409 37.00203356 5.29461263 -3.73466668 -1.44971487 H 36.20749110 43.72901731 38.35112862 0.00083647 0.03871954 0.00307710 H 40.29785791 40.31841281 34.94751650 4.71465723 3.07487267 4.34603326 H 41.17139371 40.88921942 35.75121598 -4.57441679 -2.81398330 -4.58460262 H 42.12993278 42.10866091 34.77013310 -0.19298309 -0.24499579 0.19864304 H 43.83161510 43.33870500 36.49167571 0.00209466 0.00179852 0.00556907 H 42.75156541 40.24673192 37.10694090 0.75421329 -2.01458317 -1.09508312 H 43.95957468 41.52804034 38.84652342 -0.29324940 0.19067701 0.35838190 H 40.65976463 43.25662313 37.43911394 1.01038703 0.29604722 1.24528002 H 41.75693820 43.58669302 38.80165555 -1.03052080 -0.26138853 -1.27676189 H 35.70505415 35.38344352 40.23428558 0.18598969 0.55617389 0.59284674 H 36.14420238 36.63498953 41.54064474 -0.43258512 -0.23991444 -0.18522221 H 37.08450269 37.36138651 39.62966459 -0.01638947 0.08778946 -0.08613019 H 38.65095341 39.08401109 41.34411349 -3.91646430 2.33159835 3.31392581 H 37.64154389 35.47008903 42.22565615 -0.11465651 0.04435258 -0.06768971 H 39.09846104 36.41770107 43.66993850 0.09956195 1.55764782 -1.11419498 H 35.24364830 37.89090109 42.55800575 3.43523297 1.17966580 2.43610677 H 36.30517182 38.43842517 43.49120044 -3.15185728 -1.63004279 -2.72314518 H 39.93450067 34.99880483 40.39927955 0.82883822 1.05886777 1.05159612 H 40.79262288 36.09963249 41.49014761 -0.75324219 -1.10686812 -0.99722071 H 42.15232128 37.92645873 39.54405534 -0.23851343 0.48184816 -0.55927708 H 43.56791475 38.48704947 41.79213445 -0.00340975 0.01694113 -0.00338701 H 42.02930919 35.08600215 42.72926921 -0.11740255 0.00275198 -0.08450702 H 43.55628321 36.42614886 43.38305794 0.05286057 0.04095950 0.03029805 H 39.16114829 37.81623667 42.62197463 -0.18778369 -1.29968528 0.88967984 H 40.98474578 39.30809025 43.17281178 0.52090559 0.25772697 -0.39439756 H 35.04058725 39.46085928 40.75644197 -0.00879618 0.01641895 -0.01389649 H 35.83604388 41.96170689 41.33683335 -0.98077746 -0.30357890 1.67220777 H 37.69098803 42.86554665 40.01227964 0.16885750 -0.07927646 -0.05135945 H 38.75842636 43.30991366 41.54763519 5.23645733 -4.33593318 2.82691637 H 37.63920620 39.73960379 42.11367604 4.00342360 -2.55464800 -3.07380379 H 39.08202595 41.31874654 43.67075047 -0.02157704 -0.04256425 0.06682459 H 34.96545013 41.68937675 42.82894161 0.96805793 0.29408605 -1.66352615 H 36.20307467 43.72948051 44.11620203 0.00669107 0.00398081 0.00090274 H 40.47875558 39.35393449 39.89014787 0.11325242 -0.02779893 -0.29363876 H 41.47025637 40.76725030 41.31538150 3.55530951 -3.63039519 3.68065479 H 42.78380082 42.25114409 40.18108275 0.40900564 -0.10972981 -0.28450106 H 43.77245153 43.87493434 40.86531037 -0.05488357 -0.09159905 -0.03417358 H 42.24859303 39.96763961 42.11643570 -4.07933765 3.35000213 -3.25855193 H 43.66108109 41.26305634 43.34293491 0.02720593 0.02847812 0.02338112 H 39.67953345 42.56317802 42.05658407 -5.31755955 4.33053522 -3.02403142 H 41.00870299 43.61656145 43.57392999 0.03141720 0.01957916 0.02919743