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=234.87527526039386 stress="-0.0018096712672589245 -0.0009162312443963046 0.0002976688769428259 -0.0009162312443963046 -0.0026971965661257893 -0.00046875852130813045 0.0002976688769428259 -0.00046875852130813045 -0.0018612424265816965" free_energy=234.87527526039386 pbc="F F F" Ti 35.01251597 34.56594767 35.23125055 -0.09819459 -1.31148103 -1.24679016 Ti 35.99167486 36.30203393 36.62485590 15.70859963 -7.62826377 -8.25018993 Ti 37.22021767 37.42882227 35.06012935 -2.49250922 -2.67469519 -9.96988236 Ti 38.31446472 38.67377410 36.39948215 13.42189336 -25.61202311 -18.53027961 Ti 37.86439851 34.62254819 37.89374367 -5.67512562 -61.61450351 -33.41573480 Ti 38.35537431 35.95644875 38.58370573 9.31150268 63.95849092 28.82815736 Ti 34.66891333 37.09106141 37.77787222 -28.11146744 0.52998298 5.65693864 Ti 36.00470724 38.43971014 38.47395514 4.36070087 3.42247206 7.28385456 Ti 39.62391336 35.18130061 35.52610665 -34.13316525 -12.58083976 -1.91287138 Ti 41.21710492 35.99837539 35.72547304 -11.52375375 -42.34761252 45.15019801 Ti 42.04264789 36.95267778 35.07643925 50.68343030 58.34890536 -39.56887131 Ti 43.54620590 38.94057203 36.22959309 39.22475176 -54.48962103 -43.40993943 Ti 41.77069021 35.06471368 37.95972287 -20.95425318 -10.09138355 -8.39114016 Ti 44.05973454 36.58003905 38.86710779 4.64246144 0.36030283 -4.50999601 Ti 40.12548623 37.32525830 37.57969111 5.97932206 -1.92044694 1.41012819 Ti 41.16489227 38.76654600 38.94991776 -4.07639099 7.40092277 -4.71301879 Ti 34.72877763 39.90880530 35.58254576 1.59319852 -1.25722143 0.65506373 Ti 36.67712754 41.97263674 36.20893364 -10.06749266 -40.58080627 41.45474570 Ti 37.24913345 42.92202952 35.06573275 20.41030508 36.92166209 -48.89174855 Ti 39.09793362 43.64599262 36.23918047 -20.39978291 45.93283574 -26.60553362 Ti 37.52000943 39.70578592 37.56637917 -12.07283310 27.81156154 26.75881414 Ti 38.86285940 41.62996921 38.21453301 -23.27995749 -21.71524885 28.75601945 Ti 34.86661188 42.27958553 37.11266104 -12.58413664 1.63251721 6.26509981 Ti 36.60664062 43.88918200 38.50929072 -0.07389198 -1.74770428 -3.65410790 Ti 39.78730258 39.83715790 35.36372212 -27.40028423 -29.49047581 -23.06972474 Ti 40.86126286 40.93254066 36.02881976 32.90478219 19.96549933 17.96752964 Ti 41.99201371 42.14697157 34.69960709 3.88727284 5.34908122 -4.27357976 Ti 43.55112196 43.82538278 35.83421912 -0.62011437 -0.59285461 0.66135341 Ti 42.78878948 39.92587678 37.02976704 -36.88685424 51.52601012 40.02628843 Ti 42.94147517 41.38504468 38.80180637 9.01267898 -3.98751757 -14.26390728 Ti 39.85135932 42.41529812 37.01964547 40.59927141 -17.72142704 3.80763188 Ti 41.02047158 43.87466076 38.50143431 -2.40014161 4.97970927 1.91187136 Ti 34.65119925 35.55989058 39.51969442 -2.80004143 -3.01425452 -1.14604524 Ti 36.05507472 35.67316911 41.29865594 -15.83913197 -5.96162712 -6.05575735 Ti 37.75952489 37.96111631 40.46543266 -42.85686069 -59.39429798 -40.39540504 Ti 38.58112972 38.79163954 41.18171700 22.67261857 -17.18193203 41.06656323 Ti 37.57173865 35.00809769 42.61138709 6.66323982 9.86290825 2.91495607 Ti 38.64878546 36.53489687 43.69629530 -22.59860362 -30.95676591 26.28334519 Ti 35.00470032 37.89534354 42.57023254 -9.81248954 -16.43094810 -18.06563085 Ti 35.82990178 39.15429937 43.72975650 9.16828954 19.66051789 15.43163850 Ti 40.10299683 34.96836453 40.01662027 -6.17184527 -12.83495725 -4.18423386 Ti 41.03841224 36.19237275 41.11531311 6.20724026 18.26039196 10.42862440 Ti 42.77221949 37.95446163 40.10231780 -17.00044389 -13.11261483 -4.57205222 Ti 44.12283489 38.77776773 41.16501309 17.49487739 13.31936963 13.22989815 Ti 42.73396664 34.76917747 42.15309958 -2.81691810 -5.69022843 -3.81102492 Ti 44.08528877 36.23123845 43.09389011 3.56991979 4.30321548 1.10764203 Ti 39.70872728 37.42410853 42.80607962 29.46561376 31.70175264 -20.48898345 Ti 41.60603343 39.00949199 43.54273725 -21.73230960 -39.20395354 15.15638541 Ti 34.92709151 40.77857056 39.88761442 -11.44079099 -0.50179531 -10.25009543 Ti 36.39954043 40.99052395 41.25379699 13.24867387 -10.11113163 2.26062054 Ti 37.50641920 42.90944301 40.46070628 5.05772744 1.62055980 2.65198061 Ti 39.28146195 43.58193849 42.03481477 -26.94258152 55.58535457 5.40317991 Ti 37.91557061 39.57623522 42.42472124 -33.90761960 -15.57299308 15.33638714 Ti 38.34702495 40.77473270 43.49070894 12.56876644 41.61426483 34.87158787 Ti 35.25249956 42.42377340 42.29528481 -6.01588221 4.71427697 1.25469975 Ti 35.71273403 43.87531540 44.00844071 1.53424618 2.64422090 3.32686648 Ti 39.50374871 39.60761187 40.40069931 50.38027653 46.48052354 -41.06716909 Ti 41.83391316 41.25592154 40.60538741 -18.47534322 -67.00204730 21.45354158 Ti 42.21059128 42.73360583 40.21912760 7.20778023 65.91886472 -8.20115953 Ti 43.69645137 43.94113505 41.21279617 5.65697037 4.18288738 4.84393899 Ti 42.38898356 40.37832058 42.91221134 17.34270179 37.63921252 -19.16344133 Ti 43.74690856 41.69713492 44.08595836 4.34305413 3.84615107 2.78294934 Ti 40.02153045 42.14286596 41.92110573 25.82641475 -52.91067763 -3.32797390 Ti 41.04892490 43.97840236 44.05174548 1.11262893 -2.25007467 -0.99221149