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=20.4006438643 stress="-0.336923234226227 -0.08517684753263634 -0.10882805223606927 -0.08517684753263634 -0.3155513589189507 -0.06848961277667569 -0.10882805223606927 -0.06848961277667569 -0.2905872952001504" pbc="F F F" Ti -0.00393080 -0.02264065 -0.21982183 -1.79492189 -0.38475074 -0.67032913 Ti 1.85640013 0.84696809 1.01143703 0.98007877 2.16004835 -3.28657604 Ti 2.16068129 2.85760404 0.46522721 -6.48618473 -2.21118911 -3.96693882 Ti 3.50439459 4.05820902 0.96963622 4.26779295 6.22788874 7.16138835 Ti 2.30539633 -0.39679315 2.44151616 1.39223562 -7.18918867 6.12602661 Ti 3.35433959 1.45438499 3.82550802 -4.06029891 2.58365686 -1.34814087 Ti -0.07989989 2.70988817 2.23334514 -11.42965097 -9.76902235 -8.19404911 Ti 1.08168652 3.61354409 3.11688757 6.61084684 4.94402413 3.63918283 Ti 5.50598502 -0.24747654 0.00011243 -1.11495133 -1.65356183 -1.10489847 Ti 6.22381839 1.63784560 1.19751650 0.17447426 1.59329534 2.84453260 Ti 7.80076807 2.10667852 -0.49878402 0.07973090 -1.38323214 -3.07488690 Ti 8.98509618 3.46036786 1.11746861 2.39830025 -0.58243851 -1.85818426 Ti 8.36364238 -0.24366636 2.20717380 -1.62102310 -0.31746328 -1.17174779 Ti 9.00156541 1.88435606 3.35694090 1.25058783 2.04785478 -1.26775450 Ti 5.24211558 2.82743226 2.98776867 -3.00656764 1.19491248 -1.38518617 Ti 6.69332522 4.04863537 4.22311117 8.62725220 -2.82924559 1.42296162 Ti 0.36520567 4.99182058 0.50211599 -9.45287666 -14.44889837 -1.32273574 Ti 1.22289675 6.44329507 0.70079482 3.75139810 4.44382261 5.38737025 Ti 2.10356296 7.78966064 -0.15981570 5.43672720 9.33641198 -6.38865308 Ti 3.86611167 8.32273260 1.61740535 -8.09822289 2.24492580 -4.27371025 Ti 2.31832875 5.33401109 2.59411349 -6.46643406 -2.25460645 -3.52331659 Ti 3.50579728 6.22637582 3.69046025 8.30566359 5.57926465 8.34345834 Ti 0.11448112 7.75032572 2.60673186 -2.52145127 -5.44743215 -2.54281764 Ti 1.04047291 9.14090109 3.80800575 2.86191342 6.94077337 1.80510767 Ti 5.05517182 4.49422817 -0.25879956 7.03240714 1.46256074 -3.38726604 Ti 6.65908937 6.24880483 1.62163731 -2.90337662 -9.03166759 5.76850654 Ti 7.22577515 7.34963249 0.24014761 -2.28868023 2.70472331 -12.48583239 Ti 8.63541451 8.66950824 1.02198728 3.36907958 3.38092277 4.30119592 Ti 7.77109014 4.64137012 2.56754574 1.44812583 -7.39193535 -8.32923316 Ti 8.30695144 5.77499305 4.05281345 4.04558951 7.57462456 8.09735140 Ti 5.35220110 7.56399505 2.59855264 6.52358139 -11.35659816 -1.25458378 Ti 5.29969162 8.94919299 3.69635628 -2.65618454 11.98284008 9.50473725 Ti 0.67018657 -0.36730925 4.90208399 0.21320987 -0.87405899 -3.22396006 Ti 1.29058725 0.88213332 6.70906900 1.27133009 2.99883032 0.39011920 Ti 1.91476985 3.26652153 5.08683335 2.00436385 0.62488610 5.87904775 Ti 3.94030001 4.42903830 6.19203434 -0.69230356 -4.52949141 0.40124421 Ti 2.92039006 -0.44008634 7.79763519 0.69110272 -7.56651728 -1.86621869 Ti 3.52276695 1.45048431 8.36367604 -13.41455032 0.62003510 10.93835034 Ti -0.07993774 2.48539265 7.87054360 -10.09147304 -0.62847213 -8.19782260 Ti 1.21545013 2.93937675 9.07894161 9.69292013 3.64043635 7.61679223 Ti 4.95307467 0.50070216 5.17251722 -0.94289055 -1.70557285 -0.85235336 Ti 6.71366766 0.89764578 6.54368674 -7.55550790 11.08758306 -14.36186680 Ti 7.46880292 2.38402798 5.08046942 0.73989449 -4.14114324 1.61602258 Ti 8.54482210 3.94533077 6.71134477 21.37076228 -27.48138107 -6.88868076 Ti 7.37240601 -0.00599211 7.60374949 1.74682340 -23.39412207 12.93218356 Ti 8.49859303 1.21763961 8.36643570 7.46851679 10.12393207 4.85432214 Ti 4.81706804 2.06574899 7.52698724 12.49301996 7.72211899 -9.50994537 Ti 6.41851218 3.81317802 7.86239739 -5.05234558 -2.70595640 3.10431502 Ti -0.07924507 5.45560845 5.56115976 -2.04339851 -0.64679873 -2.98292827 Ti 1.76919059 5.93884475 6.74566835 -13.12474820 9.32060118 -14.13296527 Ti 2.14269776 7.62884593 5.13629877 -12.96535295 -7.93378397 -7.92148454 Ti 3.42536678 8.38986266 5.99044499 11.10157414 6.96193538 5.75399647 Ti 2.76138724 5.28717801 7.71099147 0.86334111 -11.12412993 7.55371683 Ti 3.82186071 5.51798163 8.97185425 12.22272446 0.26538780 14.69708006 Ti 0.01239893 7.61689152 8.08855298 -26.19843539 -25.11253126 -5.20484152 Ti 0.99564588 8.55882088 8.26722725 27.88192550 23.83699148 3.99274076 Ti 5.25126359 4.83808722 4.68410439 -7.90072886 8.80764609 -1.45145668 Ti 5.58957253 6.42100236 6.56578688 9.04257298 -9.11387485 -11.32678758 Ti 7.26412584 8.09461259 4.96399076 -8.62417261 -3.36239286 -8.95174376 Ti 8.46764102 8.46805543 6.28796723 7.49440899 1.15790358 9.63370003 Ti 7.80678639 5.10182066 7.00053342 -18.50941447 27.84238361 -2.19680615 Ti 8.82603119 6.39030303 8.23701600 2.66537642 4.41915506 4.35968692 Ti 4.74111067 7.44081214 7.61585191 -9.45456897 10.17633187 10.03731651 Ti 6.02111732 8.53787842 9.12875023 2.95106323 0.56274878 1.74424814