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=-126.43114792425112 stress="-140.62218276788295 -31.1883069685107 -76.74617002576832 -31.1883069685107 -144.34836386445727 -15.434788797050913 -76.74617002576832 -15.434788797050913 -149.65606018055527" pbc="F F F" Ti -0.24099151 -0.01522905 0.64594072 -4.49511104 -2.47399213 -0.43093211 Ti 1.39718813 0.93572417 0.98055861 0.29228857 -2.71962445 2.65843549 Ti 1.73404454 2.22516294 0.23402360 0.60235049 7.78587141 -5.15103893 Ti 3.38021302 3.78131475 0.96390753 0.27850404 1.18803673 -4.15996559 Ti 2.29465675 -0.06841967 2.38974172 -2.88267912 -5.10309087 2.02941039 Ti 3.85840215 0.76443239 3.05624271 3.44334169 0.36306966 1.89460742 Ti -0.12635498 2.87128473 2.80973961 -1.08078506 -1.44838612 -1.72828663 Ti 1.55604684 4.07636534 3.99475015 -3.46171339 9.08470473 -4.03015713 Ti 5.44932342 -0.09907511 -0.24329202 -0.74441631 0.13817865 -0.14692340 Ti 6.59993901 1.23678549 1.50500385 -2.33640973 0.87236830 0.58633843 Ti 7.56413860 2.42957765 -0.13579737 -3.08883079 -2.23383931 -5.08850555 Ti 8.67982227 3.56376137 0.86736005 3.98456870 2.56916408 2.71580569 Ti 7.81964364 0.29825864 2.98568119 -0.25662549 -3.22738629 0.44373995 Ti 8.94092265 1.52036332 4.36475362 7.69168443 -4.26462607 -2.06244087 Ti 4.63485376 2.67682157 2.44339995 -0.74747425 0.20619266 -2.01148690 Ti 5.92663375 3.45262663 3.77269330 2.50083902 1.62762820 2.28810743 Ti -0.24668824 4.95945902 0.10549878 -0.68808359 -2.03575047 -0.54227370 Ti 1.14575737 6.38040854 1.24085714 0.99026965 -1.78928220 1.46547125 Ti 2.54451041 7.16002737 -0.30553105 1.29570058 -0.69515039 -3.40943438 Ti 3.61643991 8.32327578 1.40123177 -8.03303908 6.18567880 -3.89034740 Ti 2.95366604 5.01182104 2.71888199 -2.93165560 0.88899028 -4.12257310 Ti 4.18297782 5.79320854 3.72490762 6.81324267 3.75090240 -1.43103646 Ti 0.30609528 7.83814538 2.63905551 -3.11038192 -1.62938636 -3.41928627 Ti 0.90975672 8.66349090 4.11824152 1.89220318 5.00186700 4.49292662 Ti 5.38619242 5.51919211 -0.29694171 -2.80336605 -0.99187481 -2.53363188 Ti 6.60365422 6.12475624 1.25694208 -0.80313164 3.44409893 -0.04035827 Ti 7.13700750 8.23331006 0.10350000 -2.79423380 1.05187503 -1.86179429 Ti 8.97271432 8.07112979 1.36724050 1.71220253 -0.96468216 2.18671184 Ti 7.58087455 5.09122498 2.35935114 0.06746883 -4.66624041 3.06320993 Ti 8.97769358 6.09133389 3.54532507 2.72419242 1.48914610 2.13066510 Ti 4.66448343 7.68403127 2.11226018 7.04853695 -5.28270199 3.20878487 Ti 5.97555741 8.31914392 3.89352680 -5.66974126 2.81632983 -2.07708014 Ti 0.05615299 0.04331559 4.53882749 -0.23192080 -0.47023536 -2.64019623 Ti 0.99805061 1.09305905 6.33880283 -1.54666913 4.03725739 -2.33304703 Ti 2.00297454 2.99791377 4.62151619 3.52193088 -11.97258951 4.79289905 Ti 3.55150311 3.51894432 6.34725891 -1.81793217 -5.79894815 4.30696405 Ti 2.04865546 -0.03010948 7.36669775 2.78363897 -3.89566395 2.51196854 Ti 4.08450338 0.75571598 8.58475277 -2.60009973 -5.26021984 3.88053849 Ti -0.00344088 2.96978731 7.51668654 -4.46171393 -1.67913608 -3.43881580 Ti 1.22422232 3.91950201 8.54655608 -1.19943593 -2.20319782 6.44737882 Ti 4.29950088 0.00137669 5.41040162 -0.61763919 -0.00173140 1.38165724 Ti 6.48837336 1.00831489 6.43404765 -3.53688582 7.35774141 -5.20395879 Ti 7.84911873 2.54337436 5.03819729 -9.29897073 0.01431200 -2.73956260 Ti 8.60556472 3.49425818 6.03735392 4.61258450 5.98591040 6.53967012 Ti 7.20384740 -0.14918067 7.03810700 2.84111214 -9.33492294 0.25727872 Ti 8.15130652 0.36602176 8.76717022 1.62335436 1.72511899 3.46697104 Ti 4.93176147 2.00409575 7.77385137 1.67176907 3.93717290 -3.22818835 Ti 5.94042883 3.73073442 8.80462855 1.03959693 2.10639167 0.88705729 Ti -0.16713376 5.22669124 4.93496123 -3.05332507 -1.98466497 -0.58510820 Ti 0.63429006 6.96365412 5.86193449 1.50110300 0.89866111 2.01965757 Ti 2.82350393 7.21827495 4.80335328 -3.10643000 -3.90788956 -4.19114568 Ti 3.63834321 8.28337470 5.87827378 2.21945011 5.56423768 4.36847904 Ti 2.36102597 4.94186987 7.87644269 3.29043493 5.92840320 -3.71022388 Ti 4.23985324 6.14710434 8.78505241 0.11169373 -0.24406322 2.46000578 Ti -0.37064407 7.71981491 7.81595855 -1.52169940 -0.33435354 1.36130660 Ti 1.64289762 9.05724385 8.35968340 1.53700738 -0.21598012 -0.70978475 Ti 4.26639218 4.74812168 5.36805486 1.45980024 1.45415168 0.35950929 Ti 5.89974943 6.22892384 6.12165250 2.62905122 -5.16179977 -8.99296174 Ti 7.34497277 7.80178516 4.71375535 6.55396097 -2.30868303 3.41119212 Ti 8.92944819 8.95327571 6.37925173 -0.36945581 -0.56459796 1.04508601 Ti 7.51989586 5.42044581 7.31610397 0.62320132 -1.93084533 -0.30888753 Ti 8.79937960 6.37060237 8.78037406 1.18685529 2.03495937 1.66752633 Ti 5.39757659 7.11536967 7.13716159 -3.11490283 6.06370852 4.70449325 Ti 6.35678677 8.59661455 8.46231141 1.86081990 1.22340749 1.18557981