LAMMPS Input file created by Polygraphene 84 atoms 1 atom types -10 20 xlo xhi -10 20 ylo yhi -1 10 zlo zhi Masses 1 12.01 Atoms 1 1 0.0000000000 0.0000000000 4.2600000000 2 1 1.2297600000 0.7100000000 4.2600000000 3 1 1.2304507050 2.1615229180 4.2599993880 4 1 -0.0031817180 2.8602053860 4.2599993650 5 1 -0.0019730150 4.2923519510 4.2599989760 6 1 1.2294626300 5.0090417820 4.2599994030 7 1 1.2339013860 6.4392804320 4.2599998090 8 1 0.0006097170 7.1427152670 4.2599989430 9 1 0.0024941640 8.5728020470 4.2599988810 10 1 1.2378603750 9.2821474230 4.2600003080 11 1 1.2438820440 10.7503166310 4.2600002510 12 1 0.0023034300 11.3633335450 4.2599983400 13 1 2.4595100000 0.0000000000 4.2600000000 14 1 3.6892700000 0.7100000000 4.2600000000 15 1 3.6880040080 2.1616469190 4.2599995150 16 1 2.4592521630 2.8718528570 4.2599992990 17 1 2.4601808170 4.3020519050 4.2599996600 18 1 3.6900332200 5.0154364090 4.2600005540 19 1 3.6935882020 6.4459644390 4.2600016050 20 1 2.4658012490 7.1565800640 4.2600011250 21 1 2.4717932130 8.5920908700 4.2600016770 22 1 3.7107545680 9.3098757010 4.2600030610 23 1 3.7112073270 10.7865869980 4.2600033040 24 1 2.4831099320 11.3871494710 4.2600019260 25 1 4.9190200000 0.0000000000 4.2600000000 26 1 6.1487800000 0.7100000000 4.2600000000 27 1 6.1455505920 2.1626149170 4.2599997130 28 1 4.9170278110 2.8709060710 4.2599996750 29 1 4.9170491000 4.3008246110 4.2600003990 30 1 6.1460104280 5.0094035400 4.2600010420 31 1 6.1461354350 6.4348631450 4.2600022340 32 1 4.9252141060 7.1579835130 4.2600026680 33 1 4.9338399030 8.5945590790 4.2600035260 34 1 6.1875507420 9.2888670550 4.2600039020 35 1 6.3410994390 10.7532526040 4.2600043620 36 1 5.0241996840 11.3473275630 4.2600041890 37 1 7.3785400000 0.0000000000 4.2600000000 38 1 8.6082900000 0.7100000000 4.2600000000 39 1 8.6021034960 2.1675890720 4.2599997380 40 1 7.3745815090 2.8726114620 4.2599997860 41 1 7.3770377920 4.3002062510 4.2600003860 42 1 8.6111412200 5.0028444450 4.2600003300 43 1 8.6112979490 6.4297338250 4.2600010400 44 1 7.3793686360 7.1340303100 4.2600022860 45 1 7.3790695660 8.5489437760 4.2600029500 46 1 8.5717728080 9.2849677060 4.2600017230 47 1 8.5194567360 10.6582792710 4.2600010960 48 1 9.8305974530 0.0791814220 4.2599995770 49 1 11.0678000000 0.7100000000 4.2600000000 50 1 11.0678000000 2.1300000000 4.2600000000 51 1 9.8394171490 2.8582022580 4.2599996750 52 1 9.8404227700 4.2896353440 4.2599996340 53 1 11.0674608400 5.0024976310 4.2599991380 54 1 11.0633664390 6.4352534490 4.2599990550 55 1 9.8327618710 7.1503202350 4.2600001900 56 1 9.8241779270 8.5878473860 4.2600002570 57 1 11.0465400240 9.3031768440 4.2599986380 58 1 11.0466242570 10.7800580250 4.2599979430 59 1 9.7353042750 11.3420652580 4.2599992930 60 1 12.2975011600 0.0652106820 4.2599994870 61 1 13.5273000000 0.7100000000 4.2600000000 62 1 13.5273000000 2.1300000000 4.2600000000 63 1 12.2965997620 2.8481762270 4.2599996230 64 1 12.2952754500 4.2835407930 4.2599989070 65 1 13.5238392090 4.9972931120 4.2599983740 66 1 13.5202640040 6.4300589790 4.2599978380 67 1 12.2896859120 7.1477943310 4.2599981550 68 1 12.2841298740 8.5844042740 4.2599977500 69 1 13.5165359930 9.2767677930 4.2599968770 70 1 13.5113067530 10.7444426630 4.2599961330 71 1 12.2734112950 11.3827707160 4.2599964780 72 1 14.7614823210 0.0704424280 4.2599995090 73 1 15.9868000000 0.7100000000 4.2600000000 74 1 15.9868000000 2.1300000000 4.2600000000 75 1 14.7565866570 2.8482099630 4.2599995590 76 1 14.7547851260 4.2832870400 4.2599986930 77 1 15.9837007220 5.0002515290 4.2599985720 78 1 15.9846198290 6.4298108080 4.2599982130 79 1 14.7520275510 7.1386732570 4.2599976600 80 1 14.7513456760 8.5692235310 4.2599971810 81 1 15.9846881450 9.2657406420 4.2599976000 82 1 15.9850700590 10.7321853860 4.2599970580 83 1 14.7503243710 11.3621304030 4.2599959810 84 1 7.3785800000 13.0600000000 4.26000000001