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=297.612593477 stress="-0.924685338758516 -0.45710689432132573 -0.21755099908139486 -0.45710689432132573 -1.1940634694383303 -0.16369531016702388 -0.21755099908139486 -0.16369531016702388 -1.0901301604465752" pbc="F F F" Ti -0.29421408 0.06637917 0.25290305 -9.01240060 -6.00157842 -3.63783049 Ti 1.19883672 1.18888509 1.11661188 -42.70116686 -15.54574360 4.00806056 Ti 2.19057059 2.28458290 0.33784691 30.14581380 34.30783077 -20.68972285 Ti 4.21497245 3.62464005 1.03730258 -54.20308457 -63.27223011 27.21047043 Ti 2.33715790 0.36372212 2.26240660 -13.21871365 -32.98396848 -11.32347270 Ti 3.43254066 1.06531496 3.33650163 35.95372214 15.64617004 27.19167687 Ti -0.00780630 2.72373188 2.73648975 -12.95680538 -4.51672834 -4.55445497 Ti 1.67903887 3.50881642 3.54310740 -17.82203777 43.81351670 -46.83221482 Ti 5.29773848 -0.35314254 0.00624470 -3.60821859 -5.40338865 -2.86712170 Ti 6.32359302 1.21471096 1.10135932 -5.52344399 -1.39220870 8.42205943 Ti 7.60572916 2.19260581 -0.24020845 -5.40845172 -7.36945047 -17.15908452 Ti 8.78656708 3.40090877 0.74857045 9.64244307 11.59991634 9.45678901 Ti 7.57619384 -0.15258935 2.60467923 -1.51206390 -5.46876931 -3.50894652 Ti 8.42191986 0.97736220 4.28860011 18.29121859 -10.06110318 -4.40476697 Ti 5.46111631 2.96543266 2.33112972 -26.35650342 -37.44667691 -33.45452139 Ti 6.29163954 3.68171700 3.33004603 38.68606299 34.34437537 47.71146022 Ti 0.33543406 4.65726435 -0.38153112 0.57679280 -1.41504869 -0.35084235 Ti 1.50253017 6.41060339 1.04388832 -9.84096759 -11.06717248 7.29198224 Ti 2.63712943 7.51302173 -0.08124951 6.86984960 5.99313469 -15.19029625 Ti 3.94838327 8.89922270 0.91336879 5.76657003 4.15374260 3.03301497 Ti 2.46836453 5.27131710 2.87037700 -5.25241951 6.99708610 1.63003828 Ti 4.05595204 6.11531311 4.02221949 -18.92753562 42.23806841 -11.91861678 Ti 0.33737120 7.60231780 2.87283489 -36.59135350 -44.66842756 -26.38057619 Ti 1.27776773 8.66501309 3.56677778 34.50607485 49.49303296 20.63498412 Ti 4.76917747 4.65309958 0.42311431 30.47338660 65.47190670 -45.85178020 Ti 6.31366333 5.99833699 1.12250762 -2.46036936 -1.26505231 4.04859642 Ti 7.42410853 7.95378304 0.35603343 -21.95703081 -5.27136047 -10.92599019 Ti 9.00949199 8.54273725 1.17709151 22.17229810 8.07671926 11.84584983 Ti 7.89881844 4.88761442 2.64954043 2.61016969 -33.68989548 -34.07489497 Ti 8.30029493 6.04676273 3.75641920 20.43095391 19.78349789 11.62949378 Ti 5.03720255 7.96070628 3.13942418 -13.06808059 -12.25673340 -17.40341497 Ti 6.08193849 9.12229896 4.16557061 26.29529138 18.79006650 9.13121957 Ti -0.14848784 0.07597110 5.30421605 -16.80775366 -9.75558110 -19.59214396 Ti 1.05504928 0.80514794 6.53486626 -8.87405716 -8.46456660 -56.18853078 Ti 2.20946531 2.55349892 4.51994484 19.10539613 -41.21050350 60.54698703 Ti 3.71179051 4.21435681 5.75374871 -41.83182741 -16.11351958 24.80189532 Ti 1.78431567 0.40069931 7.91444697 12.37059403 3.15267361 63.29011482 Ti 3.75592154 1.07730940 8.54814022 5.86995473 0.40119263 6.19986901 Ti 0.23360583 2.54795945 7.44645137 8.99183366 -0.76358860 -17.59306095 Ti 1.44113505 3.34921688 8.63898356 9.04003523 2.89116286 17.79059720 Ti 5.52706409 0.78545454 4.98578387 -28.17157989 -24.92870011 -27.38991253 Ti 6.42461499 1.63456266 6.27153045 8.49708229 -28.60231701 73.07744027 Ti 7.14286596 2.10421160 5.17116535 39.25514308 46.45564811 -54.62680130 Ti 8.46503391 3.98123542 6.17503912 21.56503999 -3.37065563 -31.64717636 Ti 7.94758804 -0.22221596 7.63423686 -16.42262813 -27.02060323 -15.19818843 Ti 8.87245546 1.10593507 8.45925024 14.94485985 27.15283996 13.32990328 Ti 5.06189841 2.32669840 7.07683866 -38.96918601 17.41525804 9.80861051 Ti 5.99220270 3.38323698 8.69295402 -7.19165622 -3.85160248 15.51824078 Ti 0.17658607 5.01446621 5.17032868 -4.56977868 -5.08785285 -1.75945428 Ti 1.70656330 6.21959328 6.00512234 -0.93071202 -42.43845480 25.12536740 Ti 2.08435622 7.62133246 5.19518869 15.69570216 39.27065589 -18.27021552 Ti 4.40819648 8.89341734 5.39272083 -7.93012699 2.76260683 6.33022885 Ti 2.64534720 5.20357008 8.40014794 -18.50640943 -36.99395044 8.01367104 Ti 3.45748372 6.68113249 8.27564792 11.57315782 39.01876474 2.92475119 Ti 0.08901493 7.32807814 7.51879370 -11.73519145 -17.69051816 -13.15693978 Ti 0.92420956 8.63465067 8.59885626 11.40736368 17.82503962 14.68399799 Ti 4.96350480 4.86378438 4.71830078 55.68076003 -22.63719699 -7.17108399 Ti 5.91868085 6.21756783 6.74135582 41.01626824 -55.39993524 -4.00676816 Ti 7.84836566 7.14981165 5.13412559 -19.31634204 -16.05669780 -4.18867150 Ti 8.32317070 8.35259538 6.27502490 8.62356977 32.84696817 29.67575995 Ti 7.39539991 4.31848639 7.56088881 -12.09594487 10.57305466 16.22424322 Ti 8.64538616 6.09506793 8.81949829 -0.82632295 3.33210278 -0.56181499 Ti 5.01270000 7.36415287 7.20847981 -34.42101563 53.33524207 -2.27381792 Ti 6.43873916 8.67342879 8.37975971 2.96377171 2.33950633 3.56575568