32 Lattice="75.08939552307129 0.0 0.0 0.0 75.08939552307129 0.0 0.0 0.0 75.08939552307129" Properties=species:S:1:pos:R:3:forces:R:3 energy=-14.620272998735286 stress="-6.027837704208754e-05 5.2616278492260945e-06 -1.5302342759200803e-05 5.2616278492260945e-06 -6.0577883916674744e-05 9.539871546433579e-06 -1.5302342759200803e-05 9.539871546433579e-06 -5.8338147929609584e-05" pbc="F F F" Sr 37.77654997 37.50263996 37.86281814 -0.52014230 -0.38228612 -0.67476837 Sr 40.35438820 40.15480952 37.51718144 -0.35404057 0.23903750 -0.24931579 Sr 40.27326424 37.45903256 40.34623467 -0.21654061 -0.29832775 -0.46094730 Sr 37.43250767 40.17940158 40.25090533 0.03274778 0.73743184 -0.46592078 Sr 43.01455589 37.41481922 37.74547379 -0.84925982 -0.20018880 -1.00908080 Sr 45.59148098 40.31952404 37.66516089 0.94408731 -0.80617707 -0.49372892 Sr 45.45052493 37.59060010 40.13030105 0.92954011 -0.21567457 1.00226200 Sr 42.79846669 40.25419723 40.10434446 -0.05549527 -1.13171528 1.01107338 Sr 37.58292658 43.01554310 37.55691514 -0.31623347 -0.64178892 -0.03688119 Sr 40.24849272 45.35887390 37.52585586 0.54188581 0.49744168 -0.16383102 Sr 40.49000392 43.01960093 40.32102233 -1.78912120 -1.18742668 -0.81124791 Sr 37.65461944 45.41952313 40.35438392 -0.51122778 1.20133352 -1.08887414 Sr 43.14330831 42.71556056 37.74888079 -1.28513905 1.46104939 -1.63923563 Sr 45.78550285 45.41936984 37.56556823 -0.01253053 0.04704806 0.02153903 Sr 45.48112760 42.81085267 40.31088594 1.46569275 0.53671496 -0.07138804 Sr 42.98505860 45.36009742 40.36082182 0.78276726 1.61819322 -0.66693274 Sr 37.39572391 37.74183484 42.80442890 -0.30510606 -0.63953864 0.53514655 Sr 40.12960981 40.07742230 42.80901418 0.36761284 0.84580858 0.47797417 Sr 40.00520505 37.64165946 45.79219556 0.11913990 0.04190685 -0.11942828 Sr 37.51236437 40.56179725 45.65481390 -0.13136469 -0.12053060 -0.07364484 Sr 42.69332876 37.42887952 42.81409680 0.78891683 -0.05651615 0.71972746 Sr 45.35045238 40.31893893 42.71370396 1.00205943 -1.26742042 0.76362833 Sr 45.44001429 37.50768373 45.62957998 0.20501365 -0.20977624 -0.11220762 Sr 43.03511259 40.19377375 45.54530922 -0.79239816 0.06924699 0.14799298 Sr 37.61536952 42.95490993 42.67893654 -0.04964657 -1.31953138 0.71874169 Sr 40.31295945 45.74372637 42.69328624 0.18468847 0.26848667 0.92304638 Sr 40.27156230 43.01705001 45.65968255 0.36228367 -0.43853265 -0.19488021 Sr 37.56841168 45.36364887 45.27318032 -0.33741292 0.61112732 0.39729590 Sr 42.89430333 42.73819216 42.75464487 -0.49214206 0.49618844 1.76452252 Sr 45.61496279 45.40778355 43.05011237 0.16381739 0.23584356 -0.21984206 Sr 45.36143268 43.01014414 45.78373255 0.48613214 -0.51455774 0.14987650 Sr 42.89808956 45.56284468 45.64353310 -0.35858426 0.52313045 -0.08067126