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=114.27088441554773 stress="-0.00080701406505545 -0.00010320161290677682 -0.00018080904496443946 -0.00010320161290677682 -0.000923353196805811 0.0001405789621267194 -0.00018080904496443946 0.0001405789621267194 -0.0009312376432176131" pbc="F F F" Na 35.22086729 34.98310996 34.77096654 -2.92302642 -1.98066394 -2.24352718 Na 36.59933616 35.93572417 35.98055861 -5.78097097 -9.02891497 4.75396187 Na 37.14715992 37.22516294 35.23402360 -0.74664085 4.94983168 -15.98331682 Na 37.93229823 38.31172061 36.19084223 3.42361467 10.66238812 2.62675269 Na 37.29465675 34.93158033 37.44481085 1.59603989 -4.69382443 3.74658500 Na 38.85840215 35.98056936 38.89217898 0.81914546 -1.35529060 2.02802499 Na 35.14633790 38.18034815 37.73408865 -3.57172632 -1.55878465 -3.36520210 Na 36.55604684 39.07636534 38.99475015 -10.68429477 30.75210268 -15.58738980 Na 40.57145570 35.62693260 34.97272797 -6.83246736 -7.53535799 -9.25802526 Na 41.39037000 36.49879227 36.11441795 4.98777196 4.86341026 9.72233020 Na 42.37259861 37.92571855 34.86420263 -5.37396683 -1.37385106 -7.34238140 Na 43.67982227 38.56376137 35.83858823 8.21804437 2.90488513 4.55506895 Na 42.81964364 35.29825864 37.75344230 -1.42681532 -3.10796377 -1.57090223 Na 43.94092265 36.58905321 38.94859689 11.53589067 -1.93080473 -8.42244496 Na 39.13852573 37.20608632 37.20242380 4.00025371 -1.45844922 1.16308099 Na 40.75858622 38.88988228 38.51999491 1.50134602 -1.27119205 -0.36440880 Na 35.10340100 40.31298788 35.02164361 -3.10958285 -2.04294471 -1.90419365 Na 36.63900191 41.14262195 36.22490470 -2.39753595 -9.31777062 11.67054440 Na 36.99690030 42.19675187 35.09651729 3.44203407 10.58118631 -12.65212304 Na 38.61643991 43.32327578 36.40123177 -19.04172704 13.86241248 -13.14573691 Na 37.95366604 39.88968876 37.71888199 -5.99866189 -3.77812438 -5.15112967 Na 39.18297782 40.79320854 38.39174556 8.46481820 5.94227806 4.51161958 Na 35.30609528 42.83814538 37.63905551 -3.66710276 -3.12986767 -5.86281881 Na 35.94644494 43.66349090 39.11824152 2.00611009 4.90098424 5.33713068 Na 40.08009822 40.17874280 34.77599447 -0.73115862 -0.40528711 -1.20122113 Na 41.60365422 41.12475624 36.46651109 -5.97085268 6.60742798 -5.94586720 Na 41.67119966 43.29253646 34.78221554 -0.92248863 0.52826638 -1.55635499 Na 43.57559210 43.55058575 36.17451505 1.34860608 0.55816584 0.60696379 Na 42.58087455 40.09122498 37.35935114 6.10888076 -7.24840609 6.07654199 Na 43.97769358 41.47651203 38.54225877 2.17960193 0.14506204 1.01007140 Na 39.66448343 42.68403127 37.11226018 19.09137138 -10.80843046 12.02552929 Na 40.97555741 43.31914392 38.89352680 -9.49477810 4.57750594 -5.48986625 Na 35.07754092 35.37783794 39.25312810 -2.24551420 -1.20997198 -1.57972166 Na 36.43493739 36.24209812 40.77110234 -1.05906427 8.93705071 -11.59967423 Na 37.00297454 37.99791377 39.62151619 13.87287100 -29.66689822 17.24791583 Na 39.01083613 38.51894432 41.34725891 -19.70975794 -24.36380181 25.86486896 Na 36.59945583 35.33216459 42.01011072 1.75410730 -11.15550638 14.63595690 Na 39.08450338 35.75571598 43.58475277 -5.05717037 -11.67850230 9.18313212 Na 34.99655912 37.96978731 42.51668654 -5.25309882 -3.37881049 -2.71899187 Na 36.22422232 38.91950201 43.54655608 -3.91705224 -4.04687543 8.89325229 Na 39.87147529 35.00206044 40.83625574 -3.85666728 -3.56371875 -2.09698480 Na 41.48837336 36.00831489 41.43404765 -7.71047081 17.39918005 -6.67578357 Na 42.84911873 37.01595790 40.07449325 -10.06231611 1.28138260 5.52869336 Na 43.60556472 38.49425818 41.03735392 2.55783851 4.73751144 3.19768850 Na 42.20384740 34.85081933 42.03810700 10.87232743 -17.78687886 8.63355060 Na 43.75567948 35.58042468 44.03850275 0.59817997 0.48316453 0.74378071 Na 39.60939942 37.00409575 42.72323843 3.92821787 9.69544159 -5.34680144 Na 41.20019904 38.57066019 43.52507188 1.05647404 0.49790671 1.32129801 Na 34.83286624 39.34026226 40.13556173 -4.22777217 1.77894683 1.99340215 Na 35.81417592 42.02763019 41.10247883 1.81693928 -4.09240921 -3.61784685 Na 37.82350393 42.21827495 39.80335328 -4.02467423 -6.29096849 -5.82662085 Na 38.63834321 43.28337470 40.87827378 4.11928115 7.65255694 6.31231171 Na 37.36102597 39.94186987 42.87644269 6.78326260 6.87257496 -5.34176076 Na 38.84024477 41.20773787 43.96640764 0.99228774 0.88872776 1.92722450 Na 34.85019353 42.97085593 42.41342367 -6.83364364 1.98774575 1.89625316 Na 36.40009545 43.42893138 43.60183795 3.61325663 1.44759798 3.14912782 Na 39.60146438 39.30457994 40.50975364 18.85688614 24.85104104 -26.16506639 Na 40.89974943 41.22892384 41.12165250 6.49282404 -14.99991269 -19.68476885 Na 42.34497277 42.91184164 39.71375535 10.52479412 -2.04760575 5.72691372 Na 43.84947997 43.91585207 41.75724536 0.58205927 0.61384167 0.37436329 Na 42.43376557 40.85345170 42.38498733 2.55478522 -2.05070297 0.25427604 Na 43.66153064 41.54291660 43.96495890 1.90308168 0.81788593 2.58729852 Na 40.39757659 42.11536967 42.13716159 -9.09053897 15.64404351 17.75181869 Na 40.86157597 44.04079721 43.69789396 0.11853514 0.93598468 0.64359883