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path: root/sim/src/tests/jigs_to_several_atoms/test_003_linearmotor_to_50_atoms.xyzcmp
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Frame 0, Iteration: 100
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C 1.704000 -0.029000 -0.067879
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C 4.264000 -0.049000 0.012550
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H 6.936360 0.703197 0.781823
H 6.778636 0.439932 -0.940728
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C 9.384000 -0.089000 -0.041152
H 9.423783 0.637922 0.771670
H 9.438758 0.379193 -1.020994
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H 12.117419 0.586691 0.739520
H 11.961093 0.412231 -1.038505
O 12.997000 -1.120000 0.023608
C 14.504000 -0.129000 -0.058430
H 14.555886 0.549655 0.793577
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C 17.064000 -0.149000 -0.031294
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H 32.613840 0.521331 0.700617
H 32.401393 0.189753 -1.018984
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H 40.035190 0.138458 -1.042259
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H 47.802669 -0.111739 -1.106633
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H 50.444906 0.318304 0.842951
H 50.262201 0.050466 -0.944147
O 51.397000 -1.420000 0.017975
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H 52.926351 0.053440 -0.997362
O 53.957000 -1.440000 -0.005861
C 55.464000 -0.449000 -0.057964
H 55.567334 0.198133 0.819500
H 55.462440 0.038242 -1.030111
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H 58.111782 0.269441 0.770936
H 58.091259 0.006933 -1.004804
O 59.077000 -1.480000 0.005941
C 60.584000 -0.489000 -0.018022
H 60.705927 0.218590 0.807218
H 60.637009 -0.120439 -1.038108
O 61.637000 -1.500000 0.032249
H 62.511560 -1.091281 0.116766