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=395.00139174948 stress="-0.0006549686715892711 -0.00036445732525465415 -0.0002807770255865361 -0.00036445732525465415 -0.0006403740777334678 -4.762611634544654e-05 -0.0002807770255865361 -4.762611634544654e-05 -0.0006647137110940053" free_energy=395.00139174948 pbc="F F F" Nb 35.31698875 35.33129524 35.18135523 -9.50299480 -8.20235597 -6.42956143 Nb 36.61004380 36.41718586 36.34070966 -5.99851472 -4.58914300 23.10485591 Nb 37.25719783 37.13352852 35.22620212 12.61460620 13.37599359 -25.56542010 Nb 38.58612931 38.30645826 36.39169878 6.35484609 7.90986842 1.81662621 Nb 37.22373251 35.01155593 37.69509147 3.16998351 -7.12550058 6.30557571 Nb 39.12633463 36.56629112 39.43526288 -5.69924300 1.01046384 12.43189531 Nb 34.99926458 37.57189943 37.41386972 -4.23241945 2.12192395 1.50636048 Nb 36.68300590 38.69445404 39.16784833 -4.51357205 6.88604339 11.75907448 Nb 39.83825563 35.17231423 34.94843791 -5.40407669 1.64141608 1.85534920 Nb 41.76257999 36.12530328 35.82772538 -11.39077780 -17.86611903 8.63895088 Nb 42.47837482 37.41429809 35.31405160 7.83696411 21.65761862 -6.41079554 Nb 44.03435500 38.93830718 36.19771670 2.26696443 0.43437071 1.27593028 Nb 42.41051063 35.06418477 37.74971651 -21.96446187 -18.88530186 -9.39721059 Nb 43.32992312 35.96549094 38.39579749 16.86720029 23.02342048 13.58004493 Nb 39.82461244 37.29989673 37.96826160 10.86504874 2.35511530 -14.68087656 Nb 40.95774313 39.41441640 38.54402392 -9.84539658 -4.58009165 4.74226032 Nb 34.70384109 40.47434521 34.58910862 -10.38656695 -9.11253651 -9.80003887 Nb 35.86287416 41.34226244 35.81691485 -1.36228586 -13.33208397 17.50134078 Nb 37.03429402 42.21238529 34.95279144 18.68328607 9.94753427 -12.95472795 Nb 38.48593339 43.94823237 35.79928231 -2.28680558 1.05473841 -1.01083559 Nb 36.74867563 40.06544699 37.88350073 2.50040530 10.85910830 -13.30398763 Nb 38.97482630 41.25363847 38.95055288 -2.44628177 1.97441025 -6.16643504 Nb 35.49247990 42.85304818 37.15503041 -4.11061648 0.58268116 -2.04006163 Nb 35.80403308 43.87092295 38.76882052 3.31649336 3.98255631 12.39662246 Nb 40.02097969 40.74320041 34.84035230 -11.71513726 -2.34386276 -5.23571307 Nb 41.45609579 41.17647898 36.17162521 -2.43178392 -7.51511181 18.14383881 Nb 42.24469792 42.28156831 35.07895218 8.40444832 11.66464072 -10.88040737 Nb 43.79798761 43.90534240 35.99781777 -0.13385178 0.18050659 2.63549380 Nb 42.33206361 39.81757500 37.65199409 13.66588188 1.17686863 -3.55902401 Nb 43.41068129 41.60760404 39.21522721 5.01976708 -3.51194383 -3.08943167 Nb 39.75439459 42.80820902 37.21963622 -4.66594920 -4.76150679 -4.35499458 Nb 41.05539633 43.35320685 38.69151616 -3.75853752 11.83488752 -15.08089069 Nb 34.63132683 35.26756301 40.07550802 -2.70453274 -2.55692666 -5.61108057 Nb 36.17010011 36.45988817 40.98334514 15.62281761 -3.42017765 -5.60843219 Nb 37.33168652 37.36354409 39.05861763 -4.05122530 -16.66788263 -5.08975450 Nb 39.13688112 38.33824509 40.85112862 -5.72190511 -9.39509212 8.41389787 Nb 37.79785791 35.31841281 42.44751650 -23.37119805 -12.28495823 -25.29300763 Nb 38.67139371 35.88921942 43.25121598 12.90940959 9.37662185 21.62845673 Nb 35.02048984 37.24380690 42.15102920 -9.60732073 5.37473483 5.83492093 Nb 36.18310706 38.26927222 43.73718795 4.76931093 -2.77849618 3.71676598 Nb 40.25156541 35.24673192 39.60694090 11.99970315 -14.93052272 2.90454912 Nb 41.49211558 36.31343399 41.37996245 -1.71832354 2.55740129 -2.74062627 Nb 42.94332522 37.79863537 40.09929664 -9.44290921 -6.09469018 -9.77062809 Nb 44.01987678 38.74182058 41.30165555 12.69519073 2.00249421 -0.89342527 Nb 43.03691410 35.11944526 42.37647937 -1.34201469 -10.48427360 -8.33982067 Nb 43.65865200 36.53966064 43.59018430 2.73632547 13.06039427 6.48940453 Nb 39.92903594 37.28753670 42.73263301 9.03596417 11.05509255 -0.02513096 Nb 41.15095341 39.57967944 43.48681125 -15.39006921 2.68780172 3.20250693 Nb 35.18721471 40.41931206 39.61582703 -7.69834134 4.06904455 -1.44739250 Nb 36.28640482 41.50032572 41.11237266 8.13811190 -5.90797505 2.71548970 Nb 37.74364830 42.89090109 40.05800575 -15.40378985 -7.49303686 -16.47831142 Nb 38.80517182 43.43842517 40.99120044 6.05646246 13.93677782 1.84415077 Nb 37.43450067 39.99880483 42.89927955 -5.70535737 -8.62829350 -15.81860813 Nb 38.29262288 41.09963249 43.99014761 9.95394512 13.32683353 8.10999003 Nb 34.95895876 42.84838244 41.90027847 -3.00221870 5.75485772 1.77300106 Nb 36.52109014 43.70458194 44.02853722 2.18005486 -2.77249761 -3.26400799 Nb 39.62881215 39.90284988 40.30281345 1.77892104 9.08825262 6.62277184 Nb 41.48515741 41.31399505 41.17293429 0.28886498 -11.15153215 9.78228883 Nb 41.61651256 42.69919299 39.94635628 4.14420346 1.32698684 12.67337090 Nb 43.98645822 43.53154714 41.27033007 -1.87704104 -1.62535038 0.91057254 Nb 42.87458466 39.37777920 42.76788989 5.81526649 -1.20686788 4.51006798 Nb 43.28732346 41.71914856 43.44367001 -0.46245072 2.19265379 -1.22173152 Nb 39.89017120 42.93579195 42.24740628 7.40454289 -8.79667112 12.15231171 Nb 41.25842636 43.48091603 44.04763519 2.25298065 -1.46331187 0.58363304