64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30.172425512888818 stress="53.85321459602247 13.643078380613323 17.557794262233564 13.643078380613323 52.857330173319326 2.4821935718957278 17.557794262233564 2.4821935718957278 51.92735045474292" pbc="F F F" H -0.24099151 -0.01522905 0.18408192 0.58146530 0.30046079 0.25165277 H 1.59933616 0.93572417 0.98055861 0.91611322 1.87972218 -0.96719498 H 2.14715992 2.22516294 0.23402360 -0.98883800 -2.54951527 1.62488881 H 3.84207182 3.78131475 0.96390753 0.36855964 -0.63853658 1.39894520 H 2.29465675 -0.06841967 2.63550848 1.62887139 1.56745444 -0.23760077 H 3.85840215 0.76443239 3.11272147 -1.67963816 -0.33979381 -0.83587641 H -0.12635498 2.47843907 3.02587658 0.04928396 0.04695871 0.02852873 H 1.55604684 4.07636534 3.99475015 0.67812633 -2.88918741 2.07234769 H 5.81566554 0.79339813 -0.24329202 0.85999531 0.82027971 1.41193020 H 6.59993901 1.54584891 1.42935289 0.09139885 -0.22678909 -2.07799997 H 7.56413860 2.42957765 -0.13579737 0.45556347 0.54212089 2.15703259 H 8.67982227 3.56376137 0.86736005 -1.39328278 -1.15452681 -1.00719049 H 7.81964364 0.29825864 2.98568119 0.37641137 0.83073654 0.43495514 H 8.94092265 1.42635864 4.33157354 -2.70825304 1.00474069 0.74201774 H 4.63485376 2.67682157 2.44339995 0.21494440 0.67426986 0.11368691 H 5.92663375 3.45262663 3.77269330 -1.07509717 -0.55360572 -0.96478014 H -0.24668824 4.95945902 0.10549878 1.14921970 0.76038971 0.93703925 H 1.14575737 5.88078096 1.24085714 -0.83302710 -0.48009458 -1.20918506 H 2.45146699 7.02610931 -0.30553105 -0.20307544 -0.15722420 0.47491658 H 3.61643991 8.32327578 1.40123177 2.98879560 -1.97546975 1.95810233 H 2.95366604 4.88968876 2.71888199 1.83361653 1.05930059 1.19241309 H 4.18297782 5.79320854 3.39174556 -2.14731582 -1.50996449 -0.78619375 H 0.30609528 7.83814538 2.63905551 0.91346211 1.16996062 2.15044757 H 0.90975672 8.66349090 4.11824152 -0.81068478 -1.28121986 -2.15684574 H 5.64819920 4.91258622 -0.29694171 0.03552633 0.12892439 0.39764363 H 6.60365422 6.12475624 1.46651109 1.71894587 -1.42573962 0.78308313 H 7.13700750 7.77976330 0.10350000 -0.09815389 -0.52596775 0.54263777 H 8.97271432 8.95785659 1.36724050 -0.08995163 -0.05772785 -0.06192466 H 7.58087455 5.09122498 2.35935114 -0.81750046 2.22353019 -1.04486087 H 8.97769358 6.09133389 3.54532507 -0.79179575 -0.55772408 -0.66411982 H 4.66448343 7.68403127 2.11226018 -2.92801247 1.73905949 -1.69077454 H 5.97555741 8.31914392 3.89352680 2.36244869 -1.05492943 1.27192700 H 0.05615299 0.04331559 4.53882749 1.37595343 1.30754308 1.33476169 H 1.16081878 1.09305905 5.61042304 -1.00505161 -1.34220815 -0.99612875 H 2.00297454 2.99791377 4.62151619 -1.41978476 3.24775617 -1.72035012 H 3.55150311 3.51894432 6.34725891 0.97960329 1.64977249 -1.24982146 H 2.07742728 -0.03010948 7.36669775 -0.11295903 0.36082444 -0.39651980 H 4.08450338 0.75571598 8.58475277 1.27874056 1.68756457 -1.21464221 H -0.00344088 2.96978731 7.51668654 1.33289624 1.03112249 1.11814807 H 1.22422232 3.91950201 8.54655608 0.63581306 0.73940763 -2.27864617 H 4.81656662 0.00137669 5.41040162 0.53281605 0.33410018 0.30941305 H 6.48837336 1.00831489 6.43404765 0.95915681 -2.68999917 1.35901952 H 7.84911873 2.25854751 5.08801189 2.97024011 -0.06198849 0.00586236 H 8.60556472 3.49425818 6.03735392 -1.11998545 -1.54847939 -1.21919520 H 7.20384740 -0.14918067 7.03810700 -1.05838700 3.04992073 -0.73645138 H 8.59781994 0.34042898 8.53741114 -0.67934766 -0.23860955 -0.73068064 H 5.09980901 2.00409575 7.77385137 -0.67489506 -1.30287552 1.15377652 H 5.94042883 3.73073442 8.80462855 -0.34880466 -0.71644707 -0.42770807 H -0.16713376 4.54845945 4.76691370 1.22056482 -0.33483468 -0.54684000 H 1.32424410 6.36086649 6.21202373 0.40885510 0.28438453 -0.16932217 H 2.82350393 7.21827495 4.80335328 0.91508380 1.48485975 2.15106873 H 3.63834321 8.28337470 5.87827378 -1.30517448 -1.86175965 -1.76944981 H 2.36102597 4.94186987 7.87644269 -1.75122016 -1.63028189 0.94508000 H 4.23985324 6.14710434 8.78505241 0.10626216 0.12939895 -0.54784053 H -0.37064407 7.71981491 7.32271401 0.18529549 -0.14856851 -0.12142742 H 2.13614216 9.05724385 8.35968340 0.00000000 0.00000000 0.00000000 H 4.50493887 4.74812168 5.36805486 -0.81717636 -0.96555570 0.95470864 H 5.89974943 6.22892384 6.12165250 -0.93438945 1.51378836 2.86823670 H 7.34497277 7.80178516 4.71375535 -2.56150245 0.94091060 -1.51607372 H 8.72982795 8.87766104 7.08739427 0.00000000 0.00000000 0.00000000 H 7.55658408 5.42044581 7.13443909 -0.56859566 0.31558195 -0.35698606 H 8.69884569 6.34670696 9.08965562 -0.11346743 -0.09201086 -0.19422294 H 5.39757659 7.11536967 7.13716159 1.21538176 -1.73267584 -1.54913731 H 5.97456904 8.59661455 8.46231141 -0.30404302 -0.78053391 -0.69828047