64 Lattice="10.5 0.0 0.0 0.0 10.5 0.0 0.0 0.0 10.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=-258.55976300958224 stress="-398.8485217549656 -33.4947920457258 -31.145784293998446 -33.4947920457258 -402.66763511189924 -28.83700236644126 -31.145784293998446 -28.83700236644126 -400.63576791329615" pbc="F F F" Nb 0.02745474 -0.04306666 0.00923123 -0.78919433 -0.92419449 -0.99521231 Nb 1.25928943 1.27953434 1.38877376 0.39197007 0.69630276 -1.16888473 Nb 2.60471682 2.61194105 -0.01032808 -0.74776712 -0.57042376 -3.48085967 Nb 3.89967856 3.89917031 1.32225954 -1.39234528 1.89354302 -8.49535183 Nb 2.57411864 -0.05664692 2.59123894 0.83552960 -3.94032634 0.86877362 Nb 3.99682359 1.30904472 3.96039403 -3.31203668 -5.34083863 2.10080094 Nb -0.00919303 2.60965068 2.68352340 -7.97501992 -3.11488352 -3.02106103 Nb 1.27626546 3.92270439 3.95213046 -0.60443862 -2.34411811 0.77273908 Nb 5.27195229 -0.06116419 0.05576591 -3.20847986 -2.17954357 -1.86125429 Nb 6.50259097 1.27075032 1.29109075 4.10450950 -2.35747103 -2.04030322 Nb 7.91217162 2.62941195 0.03040579 -0.83251553 -0.00357239 -3.15370532 Nb 9.17871934 3.97988190 1.32262294 4.58448039 -1.51293143 -0.58102751 Nb 7.91856187 -0.05622414 2.60039151 -0.34194959 -2.95747545 0.34685054 Nb 9.21886637 1.29000789 3.95913661 3.06111191 0.64228510 -0.74916519 Nb 5.21856832 2.66833078 2.62768839 0.77219144 -0.89996138 -0.82490898 Nb 6.52578609 3.88705764 3.99862234 6.89479967 0.57390758 2.47088591 Nb -0.00434296 5.27255553 0.01359012 -1.49739176 -2.96354754 -1.42557890 Nb 1.36166281 6.58283254 1.35520946 -7.19984610 4.67828033 -7.52468831 Nb 2.64136581 7.86048248 0.02975647 3.29312422 1.56477938 -5.74730678 Nb 3.95075560 9.24341342 1.31831777 -0.83793413 3.09273015 0.90685837 Nb 2.57074346 5.27890632 2.59270936 1.67813136 -7.29229251 -1.61994487 Nb 3.88805574 6.60935699 3.93030420 13.31621316 -8.23432369 -11.20572628 Nb -0.02567682 7.87310632 2.57055809 -5.41916854 1.76734219 2.94284034 Nb 1.30297176 9.20618527 3.98304981 -7.92439341 11.64378166 -8.77868769 Nb 5.20281852 5.30561142 -0.04932821 -1.49891625 -0.41207983 -4.23784693 Nb 6.50143725 6.50930183 1.30672245 0.07000268 0.63408883 -1.06945524 Nb 7.78756584 7.90111446 -0.01265348 -0.03442273 0.28055055 -3.24125661 Nb 9.08870687 9.18456193 1.26548917 0.75655500 0.75539756 2.56723538 Nb 7.89766258 5.30802603 2.67893272 -3.53092160 -1.83935842 -0.84618590 Nb 9.17770962 6.48779789 3.87177552 7.70164264 2.72054012 3.34537404 Nb 5.23918933 7.83479930 2.59952574 5.87150921 5.69042054 -4.88961304 Nb 6.63640892 9.18494914 3.93530464 -1.33632561 4.39328687 -0.99643296 Nb -0.04360286 0.01699671 5.23163948 0.02597721 0.09356598 -1.36481317 Nb 1.35375488 1.32713847 6.55295331 -3.02031458 -2.07090223 0.12631833 Nb 2.63615886 2.63496139 5.23936153 -2.58004484 -8.81416139 -4.09573697 Nb 3.94962071 3.99309943 6.51343065 -1.11154356 -4.76604499 2.32815231 Nb 2.58250850 0.05041299 7.95228282 -0.08744148 -4.31603549 -1.01034682 Nb 3.97659822 1.30746132 9.13797328 -2.59137837 -2.37131018 7.87882218 Nb 0.02730743 2.56416661 7.96578177 -3.26814491 0.17496215 -0.66319426 Nb 1.35102549 3.93437054 9.19000118 0.17575447 -0.73506848 3.97947670 Nb 5.21322324 0.00829740 5.29528482 -2.70639480 -7.51586582 -1.71264869 Nb 6.55610459 1.34014440 6.59389682 -1.76985588 -0.58389631 -1.77316884 Nb 7.83632132 2.59807286 5.29223086 5.68338653 3.10786389 -3.96274273 Nb 9.24562156 3.92452131 6.49127107 3.15344993 1.20641443 0.51611991 Nb 7.85464474 0.04546527 7.84530083 4.22767229 -8.95794553 3.77336903 Nb 9.09834403 1.28941437 9.15720837 1.29862307 3.39208759 1.47409106 Nb 5.18604206 2.59150491 7.89391379 1.74764984 -0.10110101 6.62319618 Nb 6.61943843 3.85012819 9.16163842 1.30721787 -0.09787848 6.04790554 Nb 0.01086581 5.19122088 5.19863198 -7.77600978 4.74067054 4.17856538 Nb 1.32169913 6.55808887 6.54391992 -9.14524673 -10.54640915 10.18164769 Nb 2.61441226 7.81495568 5.21997394 -9.20586803 9.39035404 7.79702827 Nb 3.89715423 9.15484179 6.50873383 9.07241429 12.47361562 8.75751754 Nb 2.66447199 5.18953285 7.86430628 -8.26550345 8.29259159 7.76761042 Nb 3.95243849 6.49765223 9.21994061 0.35019006 0.13057015 2.91967215 Nb 0.05763954 7.94995869 7.86919815 -4.12803007 -0.36977591 -0.89384851 Nb 1.31770494 9.17896462 9.13500575 3.58616844 1.55512793 1.51866437 Nb 5.24036478 5.26392339 5.23734818 12.07224610 6.45314160 -5.34035424 Nb 6.59811211 6.55578691 6.53673604 2.20719298 3.19783826 3.27039735 Nb 7.90640983 7.88377907 5.18305948 0.47338410 -0.55603268 0.49538042 Nb 9.21637472 9.13207440 6.57537460 0.64489722 0.66778813 2.22155644 Nb 7.83055252 5.23725365 7.95371423 1.21504380 0.28797181 -1.23615261 Nb 9.18029659 6.54566414 9.22152744 0.99272716 2.30499637 0.81929309 Nb 5.25500890 7.94022199 7.93644995 -0.93950288 -1.66034433 -0.86727730 Nb 6.56597097 9.17687664 9.16459722 3.51258018 1.85331736 1.87759917