64 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=69.26997963050935 stress="-0.0041678239185807125 0.00027159041526566495 -0.0005134261166299872 0.00027159041526566495 -0.0046803710602039295 -5.13248714294326e-06 -0.0005134261166299872 -5.13248714294326e-06 -0.004311468927884858" free_energy=69.26997963050935 pbc="F F F" H 17.70055288 17.79714913 17.85304818 -13.11476550 8.93119365 -42.24919597 H 17.74402117 17.67903308 18.24592295 0.68664637 -15.98153007 34.25334114 H 18.76882052 18.77097969 17.49949666 5.39927288 3.84451353 -2.59066024 H 18.82485681 19.61906302 18.35826536 -4.05649958 -2.79268467 -0.87710402 H 18.67162521 17.24469792 18.53156831 8.79076235 -6.69285036 4.54012588 H 19.45395218 18.28080038 19.28228279 -0.13656646 -0.18032628 -0.93092634 H 17.56162395 18.96562791 18.42714177 -2.32498130 11.20752322 0.52488152 H 18.19954536 18.77679197 19.67341618 -0.87512355 2.63423844 -1.65128661 H 20.65730503 17.25439459 17.57932635 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12.62066826 -9.00880275 H 18.97030726 17.28156345 21.69243934 0.33991168 1.79688980 0.35195267 H 19.25111097 18.76102298 21.98696296 0.44487508 -4.69394250 2.02859922 H 17.40208399 18.75814541 21.34301384 -0.65360440 13.32736419 13.00558309 H 18.13427587 18.96104388 21.99774017 2.34144166 1.95563790 5.44075322 H 20.33776429 17.71750987 20.60888482 -2.58525910 -6.04762864 2.82171225 H 20.38582619 18.50020404 20.20000158 -1.49059877 -1.90101670 -1.74793017 H 21.25392390 18.48566734 20.22858252 7.40372922 2.77969360 -2.84616351 H 21.48867604 19.29506226 21.06018579 15.49737829 -37.55799718 -2.02839637 H 21.17635692 17.18518811 20.64211937 -0.04817063 -6.68116011 0.35926777 H 21.71550249 18.06519549 21.79640815 1.00133471 0.83412684 1.96096105 H 19.99942435 19.21366766 20.89764578 11.67058914 -16.84392680 8.16945836 H 20.91868674 20.04256372 21.39225030 -15.50788830 12.69190510 12.77534542 H 18.03568840 19.36076977 20.42658132 1.60808274 4.91305895 -0.94772718 H 18.32801964 20.79111730 20.61900789 -3.71598236 -4.75334331 5.89944354 H 18.45819538 21.37344893 19.91007323 -4.47405871 -26.98468126 -12.12038454 H 18.78602111 21.66007163 20.11452308 32.95445053 23.65381671 17.02284874 H 18.92646939 20.04393197 20.93572621 -8.77641459 2.22594707 -1.53517954 H 19.32532774 19.75782675 21.70633534 -1.29978935 0.63466915 9.85096677 H 17.55318983 21.30717748 21.01834528 -6.20481967 -1.23153882 3.66551890 H 18.62066835 21.51769776 22.15926269 2.96762914 0.38216126 1.83857116 H 20.03507093 19.36507693 19.65456757 1.20472005 1.38051202 5.49383505 H 19.98935835 20.64833546 21.09347862 4.29582974 -5.31436916 -7.87069943 H 21.46099147 21.32186071 19.57750744 8.96739611 0.47227647 15.30867158 H 22.06395917 21.80907593 20.19321856 4.03352622 3.25191992 1.07821579 H 21.36824608 19.74564588 21.05882088 3.81556451 21.93219104 -7.26618890 H 21.69287185 20.78977821 21.16023108 2.57967194 2.67956187 1.61229439 H 19.73863542 21.17569866 21.40059545 -7.85736336 9.23189227 3.47927140 H 20.50877706 21.28438143 21.94787249 4.29339863 3.83773105 6.08011403