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=-126.43114792425153 stress="-0.00040997720923580973 -9.092800865454959e-05 -0.00022374976683897408 -9.092800865454959e-05 -0.0004208407109750952 -4.4999384247963824e-05 -0.00022374976683897408 -4.4999384247963824e-05 -0.0004363150442581782" pbc="F F F" Ti 34.75900849 34.98477095 35.64594072 -4.49511104 -2.47399213 -0.43093211 Ti 36.39718813 35.93572417 35.98055861 0.29228857 -2.71962445 2.65843549 Ti 36.73404454 37.22516294 35.23402360 0.60235049 7.78587141 -5.15103893 Ti 38.38021302 38.78131475 35.96390753 0.27850404 1.18803673 -4.15996559 Ti 37.29465675 34.93158033 37.38974172 -2.88267912 -5.10309087 2.02941039 Ti 38.85840215 35.76443239 38.05624271 3.44334169 0.36306966 1.89460742 Ti 34.87364502 37.87128473 37.80973961 -1.08078506 -1.44838612 -1.72828663 Ti 36.55604684 39.07636534 38.99475015 -3.46171339 9.08470473 -4.03015713 Ti 40.44932342 34.90092489 34.75670798 -0.74441631 0.13817865 -0.14692340 Ti 41.59993901 36.23678549 36.50500385 -2.33640973 0.87236830 0.58633843 Ti 42.56413860 37.42957765 34.86420263 -3.08883079 -2.23383931 -5.08850555 Ti 43.67982227 38.56376137 35.86736005 3.98456870 2.56916408 2.71580569 Ti 42.81964364 35.29825864 37.98568119 -0.25662549 -3.22738629 0.44373995 Ti 43.94092265 36.52036332 39.36475362 7.69168443 -4.26462607 -2.06244087 Ti 39.63485376 37.67682157 37.44339995 -0.74747425 0.20619266 -2.01148690 Ti 40.92663375 38.45262663 38.77269330 2.50083902 1.62762820 2.28810743 Ti 34.75331176 39.95945902 35.10549878 -0.68808359 -2.03575047 -0.54227370 Ti 36.14575737 41.38040854 36.24085714 0.99026965 -1.78928220 1.46547125 Ti 37.54451041 42.16002737 34.69446895 1.29570058 -0.69515039 -3.40943438 Ti 38.61643991 43.32327578 36.40123177 -8.03303908 6.18567880 -3.89034740 Ti 37.95366604 40.01182104 37.71888199 -2.93165560 0.88899028 -4.12257310 Ti 39.18297782 40.79320854 38.72490762 6.81324267 3.75090240 -1.43103646 Ti 35.30609528 42.83814538 37.63905551 -3.11038192 -1.62938636 -3.41928627 Ti 35.90975672 43.66349090 39.11824152 1.89220318 5.00186700 4.49292662 Ti 40.38619242 40.51919211 34.70305829 -2.80336605 -0.99187481 -2.53363188 Ti 41.60365422 41.12475624 36.25694208 -0.80313164 3.44409893 -0.04035827 Ti 42.13700750 43.23331006 35.10350000 -2.79423380 1.05187503 -1.86179429 Ti 43.97271432 43.07112979 36.36724050 1.71220253 -0.96468216 2.18671184 Ti 42.58087455 40.09122498 37.35935114 0.06746883 -4.66624041 3.06320993 Ti 43.97769358 41.09133389 38.54532507 2.72419242 1.48914610 2.13066510 Ti 39.66448343 42.68403127 37.11226018 7.04853695 -5.28270199 3.20878487 Ti 40.97555741 43.31914392 38.89352680 -5.66974126 2.81632983 -2.07708014 Ti 35.05615299 35.04331559 39.53882749 -0.23192080 -0.47023536 -2.64019623 Ti 35.99805061 36.09305905 41.33880283 -1.54666913 4.03725739 -2.33304703 Ti 37.00297454 37.99791377 39.62151619 3.52193088 -11.97258951 4.79289905 Ti 38.55150311 38.51894432 41.34725891 -1.81793217 -5.79894815 4.30696405 Ti 37.04865546 34.96989052 42.36669775 2.78363897 -3.89566395 2.51196854 Ti 39.08450338 35.75571598 43.58475277 -2.60009973 -5.26021984 3.88053849 Ti 34.99655912 37.96978731 42.51668654 -4.46171393 -1.67913608 -3.43881580 Ti 36.22422232 38.91950201 43.54655608 -1.19943593 -2.20319782 6.44737882 Ti 39.29950088 35.00137669 40.41040162 -0.61763919 -0.00173140 1.38165724 Ti 41.48837336 36.00831489 41.43404765 -3.53688582 7.35774141 -5.20395879 Ti 42.84911873 37.54337436 40.03819729 -9.29897073 0.01431200 -2.73956260 Ti 43.60556472 38.49425818 41.03735392 4.61258450 5.98591040 6.53967012 Ti 42.20384740 34.85081933 42.03810700 2.84111214 -9.33492294 0.25727872 Ti 43.15130652 35.36602176 43.76717022 1.62335436 1.72511899 3.46697104 Ti 39.93176147 37.00409575 42.77385137 1.67176907 3.93717290 -3.22818835 Ti 40.94042883 38.73073442 43.80462855 1.03959693 2.10639167 0.88705729 Ti 34.83286624 40.22669124 39.93496123 -3.05332507 -1.98466497 -0.58510820 Ti 35.63429006 41.96365412 40.86193449 1.50110300 0.89866111 2.01965757 Ti 37.82350393 42.21827495 39.80335328 -3.10643000 -3.90788956 -4.19114568 Ti 38.63834321 43.28337470 40.87827378 2.21945011 5.56423768 4.36847904 Ti 37.36102597 39.94186987 42.87644269 3.29043493 5.92840320 -3.71022388 Ti 39.23985324 41.14710434 43.78505241 0.11169373 -0.24406322 2.46000578 Ti 34.62935593 42.71981491 42.81595855 -1.52169940 -0.33435354 1.36130660 Ti 36.64289762 44.05724385 43.35968340 1.53700738 -0.21598012 -0.70978475 Ti 39.26639218 39.74812168 40.36805486 1.45980024 1.45415168 0.35950929 Ti 40.89974943 41.22892384 41.12165250 2.62905122 -5.16179977 -8.99296174 Ti 42.34497277 42.80178516 39.71375535 6.55396097 -2.30868303 3.41119212 Ti 43.92944819 43.95327571 41.37925173 -0.36945581 -0.56459796 1.04508601 Ti 42.51989586 40.42044581 42.31610397 0.62320132 -1.93084533 -0.30888753 Ti 43.79937960 41.37060237 43.78037406 1.18685529 2.03495937 1.66752633 Ti 40.39757659 42.11536967 42.13716159 -3.11490283 6.06370852 4.70449325 Ti 41.35678677 43.59661455 43.46231141 1.86081990 1.22340749 1.18557981