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=-3.17404468033 stress="-0.20484302605202268 -0.096336591132204 -0.16817955695773035 -0.096336591132204 -0.13735069193696917 0.011479459928967073 -0.16817955695773035 0.011479459928967073 -0.129794183641548" pbc="F F F" Ti -0.24099151 0.18525799 0.18408192 -6.55357619 -2.26658367 -2.42804972 Ti 1.59933616 0.93572417 0.98055861 1.14404552 -10.55890079 10.69542649 Ti 2.14715992 2.22516294 0.23402360 4.96174995 14.36862318 -6.57563606 Ti 3.17972598 3.78131475 0.96390753 -0.87164644 1.84990740 -2.38692976 Ti 2.29465675 -0.06841967 2.83765651 -5.56877455 -2.46848465 1.81788212 Ti 3.85840215 0.76443239 3.52583685 5.54621486 0.47632035 -3.20221627 Ti -0.35328968 2.87128473 2.80973961 2.65990492 0.55008867 0.98530350 Ti 1.55604684 4.07636534 3.99475015 -0.52427575 12.53955239 -8.10838129 Ti 5.44932342 0.75562935 -0.24329202 -4.66645382 -0.12416363 -1.06585550 Ti 6.39779098 1.23678549 1.50500385 -4.03643314 -0.09718560 8.20120255 Ti 7.56413860 2.01646227 -0.13579737 2.92175815 -1.40034742 -7.37678664 Ti 8.67982227 3.56376137 0.86736005 1.53003729 3.27981774 2.30254087 Ti 7.81964364 0.29825864 2.98568119 -12.98230262 -6.97311798 -1.40902037 Ti 8.94092265 0.85631156 3.52881735 12.57643489 7.06025784 4.27127137 Ti 4.63485376 2.67682157 2.67033466 -6.79300150 5.48399655 -5.22922640 Ti 5.92663375 3.05978097 3.98883027 5.05351820 -0.44837242 6.72781119 Ti 0.11965388 5.45908660 0.41456219 -10.71248809 -0.62337819 -6.89729988 Ti 1.07010641 5.88078096 1.24085714 6.71871587 -5.13599546 17.20609307 Ti 2.23544699 7.35781061 0.02763100 -1.31517221 1.23725249 -10.46222051 Ti 3.61643991 8.32327578 1.40123177 -7.49299868 10.29994236 -0.87800800 Ti 2.95366604 4.88968876 2.71888199 -7.89161774 -6.79079896 -6.63955953 Ti 4.18297782 5.79320854 3.39174556 17.04198578 14.45996322 -5.09166780 Ti 0.30609528 7.83814538 2.63905551 -1.90186982 -11.06656289 -13.41301546 Ti 0.90975672 8.66349090 4.11824152 6.97530258 7.26388825 12.05723872 Ti 5.60221242 5.09360311 -0.03493493 -3.13873280 -0.21407563 -1.23489905 Ti 6.60365422 6.12475624 1.46651109 -5.84765727 10.18340701 -2.69420375 Ti 7.13700750 7.58071739 0.10350000 -4.86891035 -1.98036698 -4.26846250 Ti 8.97271432 8.27017570 1.36724050 2.50755768 0.78583190 3.94750651 Ti 7.58087455 5.09122498 2.35935114 7.74081430 -11.56521369 11.34786530 Ti 8.97769358 6.58747479 3.54532507 1.26899606 1.64008499 1.34830290 Ti 4.66448343 7.68403127 2.11226018 11.44599757 -7.22330830 7.68340958 Ti 5.97555741 8.29037210 3.89352680 -16.37403677 2.61009346 -11.98507190 Ti -0.17608590 0.32814245 4.53882749 0.89428605 1.85848135 -2.37917092 Ti 1.18959060 1.09305905 5.84266193 0.37612255 10.23683889 -16.99491964 Ti 1.95315994 2.99791377 4.62151619 -0.03876950 -15.84824719 7.20505600 Ti 3.55150311 3.51894432 6.34725891 1.17170914 -3.53575324 0.46820548 Ti 1.58109925 0.40714616 7.36669775 5.25165836 -6.14527201 16.34870967 Ti 4.08450338 0.75571598 8.58475277 -7.68732225 -10.04635023 4.85825172 Ti -0.00344088 2.96978731 7.51668654 -6.73792921 -6.34343850 -8.56675728 Ti 1.22422232 3.91950201 8.54655608 -6.88812676 -7.25463174 10.89689411 Ti 4.27904137 0.35146594 5.41040162 1.02237816 1.19623482 8.91997577 Ti 6.48837336 1.00831489 6.43404765 -4.02820136 8.97897838 -11.64329915 Ti 7.84911873 2.25854751 5.08801189 -5.01823380 -10.19838928 -8.88804192 Ti 8.60556472 3.49425818 6.03735392 5.53732563 10.67514460 8.36882017 Ti 7.20384740 -0.14918067 7.03810700 7.65485935 -11.02412349 4.27092589 Ti 8.64763455 1.19028586 9.00814638 -2.81296133 -0.39418789 -4.01660781 Ti 5.09980901 2.00409575 7.77385137 4.31100777 11.52281441 -2.89892879 Ti 5.85657366 4.22397896 9.06646954 1.76588336 0.62394618 0.29592208 Ti -0.16713376 4.77348316 4.69641454 -4.88795743 0.36325272 0.82511179 Ti 0.84806200 7.01561322 5.89862271 -1.90344703 -2.11300831 2.84620769 Ti 2.82350393 7.21827495 4.80335328 -4.85641438 -11.56902521 -14.60336936 Ti 3.63834321 8.28337470 5.87827378 5.71643118 11.00398733 10.75611380 Ti 2.36102597 4.94186987 7.87644269 11.27110828 13.06317453 -11.58083659 Ti 3.93375904 5.66914617 8.76115701 2.08337703 3.77480969 -0.55506622 Ti -0.37064407 7.80367007 7.32271401 -6.92621719 -3.60696373 -4.82466039 Ti 1.33361606 8.79540286 8.44857201 8.34777366 2.49969070 3.50382610 Ti 4.03913103 5.06935485 5.04677040 -5.99387170 -7.88057527 8.42706873 Ti 5.50262722 6.22892384 6.12165250 -2.79302266 -6.76225261 -9.28851473 Ti 7.34497277 7.80178516 4.71375535 12.03682675 -5.96997193 9.67154365 Ti 8.77564920 8.91352119 6.70673385 -0.13701865 -1.77079888 1.95266681 Ti 7.51989586 5.75496815 7.15483390 5.09696096 -0.93702431 -0.51593250 Ti 8.82327501 6.37060237 9.08965562 0.73877327 1.89237807 1.86611714 Ti 5.39757659 7.11536967 7.13716159 -2.22750054 8.35541388 8.79041850 Ti 6.52919738 8.99086280 8.30562442 1.10742643 0.20269674 -0.76107356