LAMMPS data file via write_data, version 14 May 2016, timestep = 400000 500 atoms 1 atom types 0.0000000000000000e+00 8.3979809569125372e+00 xlo xhi 0.0000000000000000e+00 8.3979809569125372e+00 ylo yhi 0.0000000000000000e+00 8.3979809569125372e+00 zlo zhi Masses 1 1 Pair Coeffs # lj/cut 1 1 1 Atoms # atomic 7 1 2.4137737201272674e-01 2.0017433398687118e-01 3.6157393311703534e-02 2 1 2 398 1 1.6739594898193126e+00 3.0313452824803544e-01 5.7986723161362197e-01 -3 0 1 173 1 6.1370793327804556e+00 4.4978954867119525e-01 3.6568951377817088e-01 -4 1 0 462 1 7.8754716784931862e+00 5.2908038473333074e-01 7.9185633743762940e-01 1 1 -2 383 1 6.5373096080170212e-01 1.5337525983981986e+00 6.3208419126059423e-01 2 0 1 288 1 1.9354124990672374e+00 1.3318105136786291e+00 3.6211635210084403e-01 -1 1 0 303 1 2.9661308460819318e+00 1.1444058564802859e+00 6.5604777151148241e-01 -2 2 1 491 1 7.1514675802966758e+00 1.3588685826107376e+00 1.2875068928885325e-01 -1 0 0 187 1 3.0670386025081497e-01 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