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tests/integration/MolecularDynamics/post/ethane.ekin
r37fe17 r4fc0ea 2 2 0 0 0 3 3 1 1.401 4.43672e-06 4 2 12.1231 3.8391 7e-054 2 12.1231 3.83918e-05 5 5 3 31.1417 9.86199e-05 6 6 4 54.3465 0.000172105 7 7 5 77.1936 0.000244458 8 8 6 96.0579 0.000304198 9 7 109.223 0.00034588 810 8 117.14 1 0.0003709659 7 109.223 0.000345889 10 8 117.142 0.000370966 11 11 9 121.858 0.000385901 12 12 10 125.811 0.000398422 … … 15 15 13 139.614 0.000442133 16 16 14 139.133 0.00044061 17 15 131.924 0.00041777 817 15 131.924 0.000417777 18 18 16 117.233 0.000371254 19 19 17 96.5924 0.00030589 20 20 18 73.5771 0.000233005 21 19 52.812 70.00016724822 20 38.602 20.00012224621 19 52.8126 0.000167248 22 20 38.6023 0.000122246 23 23 21 33.6441 0.000106545 24 22 38.255 4 0.00012114824 22 38.2553 0.000121147 25 25 23 50.3448 0.000159433 26 24 66.137 80.00020944626 24 66.1376 0.000209446 27 27 25 81.4161 0.00025783 28 26 92.866 90.00029409229 27 99.062 1 0.00031371128 26 92.8668 0.000294092 29 27 99.0622 0.000313712 30 30 28 100.71 0.00031893 31 31 29 100.06 0.000316871
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