LAMMPS (31 Oct 2010) # 3d Lennard-Jones melt units lj dimension 2 atom_style atomic lattice sq2 0.8442 Lattice spacing in x,y,z = 1.53919 1.53919 1.53919 region box block 0 30 0 15 -0.5 0.5 create_box 1 box Created orthogonal box = (0 0 -0.769595) to (46.1757 23.0879 0.769595) 1 by 1 by 1 processor grid create_atoms 1 box Created 900 atoms mass 1 1.0 velocity all create 1.44 87287 loop geom pair_style lj/cut 2.5 pair_coeff 1 1 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify delay 0 every 1 check yes timestep 0.003 fix 1 all nve fix 3 all enforce2d thermo 100 fix 2 all langevin 1 1 0.1 12345 run 100 pre yes post no Memory usage per processor = 1.67412 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -2.6248859 0 -1.1864859 2.0176244 100 0.99023288 -2.0005395 0 -1.0114069 5.9914427 Loop time of 0.04617 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 100 0.99023288 -2.0005395 0 -1.0114069 5.9914427 200 1.0641026 -2.126693 0 -1.0637727 5.3834133 Loop time of 0.045666 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 200 1.0641026 -2.126693 0 -1.0637727 5.3834133 300 1.0404544 -2.1182885 0 -1.0789901 5.4751694 Loop time of 0.0448651 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 300 1.0404544 -2.1182885 0 -1.0789901 5.4751694 400 0.9940782 -2.0913772 0 -1.0984035 5.7006406 Loop time of 0.044888 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 400 0.9940782 -2.0913772 0 -1.0984035 5.7006406 500 1.0533477 -2.1766862 0 -1.1245089 5.1818937 Loop time of 0.0443962 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 500 1.0533477 -2.1766862 0 -1.1245089 5.1818937 600 1.0371191 -2.1708671 0 -1.1349004 5.2128526 Loop time of 0.0447521 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 600 1.0371191 -2.1708671 0 -1.1349004 5.2128526 700 1.0178469 -2.1795112 0 -1.1627952 5.0714199 Loop time of 0.0448291 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 700 1.0178469 -2.1795112 0 -1.1627952 5.0714199 800 1.0220115 -2.1753909 0 -1.1545149 5.1482844 Loop time of 0.044615 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 800 1.0220115 -2.1753909 0 -1.1545149 5.1482844 900 1.0029029 -2.1674923 0 -1.1657037 5.1338534 Loop time of 0.0446992 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 900 1.0029029 -2.1674923 0 -1.1657037 5.1338534 1000 1.0400785 -2.1739867 0 -1.1350638 5.1279779 Loop time of 0.0448501 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1000 1.0400785 -2.1739867 0 -1.1350638 5.1279779 1100 1.0248051 -2.1763751 0 -1.1527087 5.125636 Loop time of 0.0447941 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1100 1.0248051 -2.1763751 0 -1.1527087 5.125636 1200 1.0129247 -2.1960205 0 -1.1842213 4.9280331 Loop time of 0.0442801 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1200 1.0129247 -2.1960205 0 -1.1842213 4.9280331 1300 1.0445891 -2.138322 0 -1.0948936 5.358069 Loop time of 0.044374 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1300 1.0445891 -2.138322 0 -1.0948936 5.358069 1400 1.0262085 -2.1210161 0 -1.0959478 5.5887816 Loop time of 0.044693 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1400 1.0262085 -2.1210161 0 -1.0959478 5.5887816 1500 0.9862776 -2.1287449 0 -1.1435631 5.4408715 Loop time of 0.0446811 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1500 0.9862776 -2.1287449 0 -1.1435631 5.4408715 1600 1.0008092 -2.1637199 0 -1.1640227 5.2714443 Loop time of 0.0442421 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1600 1.0008092 -2.1637199 0 -1.1640227 5.2714443 1700 1.0258515 -2.1288392 0 -1.1041276 5.4565262 Loop time of 0.0446551 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1700 1.0258515 -2.1288392 0 -1.1041276 5.4565262 1800 0.99606403 -2.1881474 0 -1.1931901 5.0145909 Loop time of 0.0446119 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1800 0.99606403 -2.1881474 0 -1.1931901 5.0145909 1900 0.98665733 -2.1993707 0 -1.2138096 4.9672864 Loop time of 0.044836 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 1900 0.98665733 -2.1993707 0 -1.2138096 4.9672864 2000 1.0155716 -2.1239518 0 -1.1095086 5.4592445 Loop time of 0.044791 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2000 1.0155716 -2.1239518 0 -1.1095086 5.4592445 2100 0.9688746 -2.1712503 0 -1.2034522 5.1417376 Loop time of 0.0446949 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2100 0.9688746 -2.1712503 0 -1.2034522 5.1417376 2200 1.0162371 -2.1732231 0 -1.1581152 5.1108471 Loop time of 0.0448599 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2200 1.0162371 -2.1732231 0 -1.1581152 5.1108471 2300 1.0245646 -2.1552369 0 -1.1318107 5.3316927 Loop time of 0.0446439 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2300 1.0245646 -2.1552369 0 -1.1318107 5.3316927 2400 1.0532627 -2.168732 0 -1.1166396 5.2318175 Loop time of 0.044234 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2400 1.0532627 -2.168732 0 -1.1166396 5.2318175 2500 1.0110981 -2.1283041 0 -1.1183294 5.470307 Loop time of 0.044275 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2500 1.0110981 -2.1283041 0 -1.1183294 5.470307 2600 0.99966902 -2.1728149 0 -1.1742566 5.1412453 Loop time of 0.044683 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2600 0.99966902 -2.1728149 0 -1.1742566 5.1412453 2700 0.99239191 -2.1637551 0 -1.1724659 5.2165707 Loop time of 0.0447261 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2700 0.99239191 -2.1637551 0 -1.1724659 5.2165707 2800 1.0301978 -2.1548308 0 -1.1257777 5.2638595 Loop time of 0.044596 on 1 procs for 100 steps with 900 atoms fix 2 all langevin 5 5 0.1 12346 run 100 pre yes post no Memory usage per processor = 1.67412 Mbytes Step Temp E_pair E_mol TotEng Press 2800 1.0227564 -2.1548308 0 -1.1332108 5.2575845 2900 5.0485455 -0.28277455 0 4.7601615 20.746781 Loop time of 0.0470662 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 2900 5.0485455 -0.28277455 0 4.7601615 20.746781 3000 4.8862233 -0.017789501 0 4.8630047 22.592756 Loop time of 0.048033 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3000 4.8862233 -0.017789501 0 4.8630047 22.592756 3100 4.9044567 -0.47959211 0 4.4194152 19.583353 Loop time of 0.0480561 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3100 4.9044567 -0.47959211 0 4.4194152 19.583353 3200 5.0879915 -0.14346616 0 4.938872 21.75943 Loop time of 0.047853 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3200 5.0879915 -0.14346616 0 4.938872 21.75943 3300 4.8191113 -0.12521782 0 4.688539 21.66605 Loop time of 0.0484211 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3300 4.8191113 -0.12521782 0 4.688539 21.66605 3400 5.1800461 -0.14238575 0 5.0319048 21.79606 Loop time of 0.0481231 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3400 5.1800461 -0.14238575 0 5.0319048 21.79606 3500 5.0607641 -0.16081652 0 4.8943245 21.486658 Loop time of 0.0485091 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3500 5.0607641 -0.16081652 0 4.8943245 21.486658 3600 5.3373422 -0.41828575 0 4.9131261 20.14676 Loop time of 0.0482152 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3600 5.3373422 -0.41828575 0 4.9131261 20.14676 3700 5.3202661 -0.30023033 0 5.0141243 20.855754 Loop time of 0.0481288 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3700 5.3202661 -0.30023033 0 5.0141243 20.855754 3800 4.8588585 -0.10399834 0 4.7494614 21.771522 Loop time of 0.0481648 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3800 4.8588585 -0.10399834 0 4.7494614 21.771522 3900 4.9193657 0.060661037 0 4.9745608 22.688265 Loop time of 0.0485899 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 3900 4.9193657 0.060661037 0 4.9745608 22.688265 4000 4.9689317 -0.135649 0 4.8277616 21.630946 Loop time of 0.0486522 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4000 4.9689317 -0.135649 0 4.8277616 21.630946 4100 5.0796995 -0.42489129 0 4.6491641 19.912881 Loop time of 0.047446 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4100 5.0796995 -0.42489129 0 4.6491641 19.912881 4200 4.9121803 -0.26921478 0 4.6375075 20.682997 Loop time of 0.047961 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4200 4.9121803 -0.26921478 0 4.6375075 20.682997 4300 5.2480878 -0.25203366 0 4.9902229 21.055825 Loop time of 0.048105 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4300 5.2480878 -0.25203366 0 4.9902229 21.055825 4400 5.1754321 -0.1379211 0 5.0317606 21.721423 Loop time of 0.0476389 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4400 5.1754321 -0.1379211 0 5.0317606 21.721423 4500 4.8163772 -0.13665697 0 4.6743687 21.338168 Loop time of 0.048456 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4500 4.8163772 -0.13665697 0 4.6743687 21.338168 4600 5.1321419 -0.30134093 0 4.8250986 20.640859 Loop time of 0.048126 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4600 5.1321419 -0.30134093 0 4.8250986 20.640859 4700 5.054895 -0.11869342 0 4.930585 21.525844 Loop time of 0.0480442 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4700 5.054895 -0.11869342 0 4.930585 21.525844 4800 4.7735419 -0.28788546 0 4.4803525 20.241875 Loop time of 0.048465 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4800 4.7735419 -0.28788546 0 4.4803525 20.241875 4900 5.1590733 -0.36928517 0 4.7840559 19.906086 Loop time of 0.0482421 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 4900 5.1590733 -0.36928517 0 4.7840559 19.906086 5000 5.172434 -0.21783749 0 4.9488493 21.017977 Loop time of 0.0482352 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5000 5.172434 -0.21783749 0 4.9488493 21.017977 5100 5.3222066 -0.28431917 0 5.0319738 20.654341 Loop time of 0.0479338 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5100 5.3222066 -0.28431917 0 5.0319738 20.654341 5200 5.2269814 -0.24120657 0 4.9799671 20.863157 Loop time of 0.0479622 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5200 5.2269814 -0.24120657 0 4.9799671 20.863157 5300 4.9617285 -0.25596507 0 4.7002504 20.508874 Loop time of 0.047616 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5300 4.9617285 -0.25596507 0 4.7002504 20.508874 5400 5.1034361 -0.23375901 0 4.8640066 20.874041 Loop time of 0.048399 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5400 5.1034361 -0.23375901 0 4.8640066 20.874041 5500 5.1033392 -0.023852659 0 5.0738162 21.959054 Loop time of 0.0481031 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5500 5.1033392 -0.023852659 0 5.0738162 21.959054 5600 4.9693008 -0.3822577 0 4.5815217 19.745578 Loop time of 0.0481269 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5600 4.9693008 -0.3822577 0 4.5815217 19.745578 5700 4.9504059 -0.16971504 0 4.7751904 20.984851 Loop time of 0.047688 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5700 4.9504059 -0.16971504 0 4.7751904 20.984851 5800 5.4859652 -0.12581898 0 5.3540507 21.643131 Loop time of 0.0482688 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5800 5.4859652 -0.12581898 0 5.3540507 21.643131 5900 5.1041625 -0.24499773 0 4.8534935 20.550919 Loop time of 0.0485001 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 5900 5.1041625 -0.24499773 0 4.8534935 20.550919 6000 4.7912324 -0.23215106 0 4.5537577 20.385388 Loop time of 0.0481 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6000 4.7912324 -0.23215106 0 4.5537577 20.385388 6100 4.8687128 -0.36715522 0 4.4961479 19.616564 Loop time of 0.047904 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6100 4.8687128 -0.36715522 0 4.4961479 19.616564 6200 5.1633792 -0.42749917 0 4.7301429 19.411301 Loop time of 0.0479479 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6200 5.1633792 -0.42749917 0 4.7301429 19.411301 6300 5.0233319 0.019274316 0 5.0370247 22.144843 Loop time of 0.048382 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6300 5.0233319 0.019274316 0 5.0370247 22.144843 6400 4.9283818 -0.080911928 0 4.8419939 21.398618 Loop time of 0.048492 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6400 4.9283818 -0.080911928 0 4.8419939 21.398618 6500 5.0852451 -0.29922243 0 4.7803724 20.191962 Loop time of 0.0481842 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6500 5.0852451 -0.29922243 0 4.7803724 20.191962 6600 4.9084541 -0.25046783 0 4.6525324 20.294621 Loop time of 0.048028 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6600 4.9084541 -0.25046783 0 4.6525324 20.294621 6700 5.158646 -0.24156185 0 4.9113523 20.674148 Loop time of 0.048152 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6700 5.158646 -0.24156185 0 4.9113523 20.674148 6800 5.0800581 -0.26396878 0 4.8104448 20.254552 Loop time of 0.0481989 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6800 5.0800581 -0.26396878 0 4.8104448 20.254552 6900 5.0775502 -0.39390401 0 4.6780045 19.376358 Loop time of 0.0482252 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 6900 5.0775502 -0.39390401 0 4.6780045 19.376358 7000 4.9478484 -0.14828675 0 4.7940641 20.564728 Loop time of 0.0481858 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7000 4.9478484 -0.14828675 0 4.7940641 20.564728 7100 5.1059459 -0.097059214 0 5.0032134 21.193873 Loop time of 0.0478609 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7100 5.1059459 -0.097059214 0 5.0032134 21.193873 7200 5.1752568 -0.37658971 0 4.7929168 19.495134 Loop time of 0.04796 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7200 5.1752568 -0.37658971 0 4.7929168 19.495134 7300 5.0979223 -0.059859304 0 5.0323987 21.118636 Loop time of 0.0480049 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7300 5.0979223 -0.059859304 0 5.0323987 21.118636 7400 4.980172 -0.27439819 0 4.7002403 19.959942 Loop time of 0.047915 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7400 4.980172 -0.27439819 0 4.7002403 19.959942 7500 5.0625014 -0.1884279 0 4.8684485 20.652757 Loop time of 0.0479548 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7500 5.0625014 -0.1884279 0 4.8684485 20.652757 7600 4.950022 -0.38785668 0 4.5566653 19.255054 Loop time of 0.047981 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7600 4.950022 -0.38785668 0 4.5566653 19.255054 7700 5.038467 0.010501622 0 5.0433703 21.612637 Loop time of 0.0483868 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7700 5.038467 0.010501622 0 5.0433703 21.612637 7800 5.0722091 -0.23929391 0 4.8272794 20.163109 Loop time of 0.0484369 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7800 5.0722091 -0.23929391 0 4.8272794 20.163109 7900 4.8266996 -0.26738065 0 4.5539559 19.950113 Loop time of 0.0484252 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 7900 4.8266996 -0.26738065 0 4.5539559 19.950113 8000 5.228568 -0.22189741 0 5.0008611 20.340648 Loop time of 0.0480399 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8000 5.228568 -0.22189741 0 5.0008611 20.340648 8100 5.0226139 -0.32338281 0 4.6936504 19.597461 Loop time of 0.0477419 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8100 5.0226139 -0.32338281 0 4.6936504 19.597461 8200 4.9067102 -0.1492661 0 4.7519922 20.325845 Loop time of 0.0479119 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8200 4.9067102 -0.1492661 0 4.7519922 20.325845 8300 5.1266856 -0.22929386 0 4.8916954 20.201339 Loop time of 0.0479472 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8300 5.1266856 -0.22929386 0 4.8916954 20.201339 8400 5.0589881 -0.45921427 0 4.5941528 18.70978 Loop time of 0.048357 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8400 5.0589881 -0.45921427 0 4.5941528 18.70978 8500 4.8413482 -0.19493887 0 4.64103 19.954031 Loop time of 0.0475209 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8500 4.8413482 -0.19493887 0 4.64103 19.954031 8600 5.0908293 -0.54321499 0 4.5419579 18.109321 Loop time of 0.0483789 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8600 5.0908293 -0.54321499 0 4.5419579 18.109321 8700 5.1796752 -0.2916707 0 4.8822493 19.664654 Loop time of 0.048032 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8700 5.1796752 -0.2916707 0 4.8822493 19.664654 8800 5.2539084 -0.45997392 0 4.7880968 18.655485 Loop time of 0.0482469 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8800 5.2539084 -0.45997392 0 4.7880968 18.655485 8900 5.1024558 -0.23247495 0 4.8643114 19.86178 Loop time of 0.0481958 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 8900 5.1024558 -0.23247495 0 4.8643114 19.86178 9000 5.1823165 -0.39916589 0 4.7773924 18.971835 Loop time of 0.0481231 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9000 5.1823165 -0.39916589 0 4.7773924 18.971835 9100 4.8447578 -0.36539964 0 4.4739751 18.749222 Loop time of 0.0482869 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9100 4.8447578 -0.36539964 0 4.4739751 18.749222 9200 4.7762145 -0.41137254 0 4.3595351 18.283329 Loop time of 0.0483339 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9200 4.7762145 -0.41137254 0 4.3595351 18.283329 9300 5.0833877 -0.32352098 0 4.7542185 19.215267 Loop time of 0.0479991 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9300 5.0833877 -0.32352098 0 4.7542185 19.215267 9400 5.0177659 -0.28646064 0 4.72573 19.284236 Loop time of 0.048521 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9400 5.0177659 -0.28646064 0 4.72573 19.284236 9500 5.094124 -0.2545962 0 4.8338677 19.49513 Loop time of 0.0480311 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9500 5.094124 -0.2545962 0 4.8338677 19.49513 9600 5.0240503 -0.35703989 0 4.6614281 18.851793 Loop time of 0.048084 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9600 5.0240503 -0.35703989 0 4.6614281 18.851793 9700 4.7489492 -0.25367959 0 4.489993 19.113672 Loop time of 0.047981 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9700 4.7489492 -0.25367959 0 4.489993 19.113672 9800 4.9909149 -0.34688365 0 4.6384858 18.781061 Loop time of 0.0480509 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9800 4.9909149 -0.34688365 0 4.6384858 18.781061 9900 5.2358495 -0.20088636 0 5.0291455 19.968679 Loop time of 0.0480289 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 9900 5.2358495 -0.20088636 0 5.0291455 19.968679 10000 5.0336433 -0.30070619 0 4.7273442 19.288936 Loop time of 0.0481491 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10000 5.0336433 -0.30070619 0 4.7273442 19.288936 10100 4.7368529 -0.43300505 0 4.2985846 18.223831 Loop time of 0.047874 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10100 4.7368529 -0.43300505 0 4.2985846 18.223831 10200 5.1921737 -0.39013066 0 4.796274 18.671159 Loop time of 0.0475681 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10200 5.1921737 -0.39013066 0 4.796274 18.671159 10300 4.8489929 -0.26376235 0 4.5798428 19.1258 Loop time of 0.04794 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10300 4.8489929 -0.26376235 0 4.5798428 19.1258 10400 4.8344238 -0.39563076 0 4.4334214 18.406798 Loop time of 0.0483451 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10400 4.8344238 -0.39563076 0 4.4334214 18.406798 10500 4.7947329 -0.30412973 0 4.4852757 18.895224 Loop time of 0.047621 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10500 4.7947329 -0.30412973 0 4.4852757 18.895224 10600 5.1411793 -0.14227144 0 4.9931954 19.939056 Loop time of 0.048378 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10600 5.1411793 -0.14227144 0 4.9931954 19.939056 10700 4.6126242 -0.35662101 0 4.250878 18.178539 Loop time of 0.0480251 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10700 4.6126242 -0.35662101 0 4.250878 18.178539 10800 5.218192 -0.26093796 0 4.9514561 19.419601 Loop time of 0.0479641 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10800 5.218192 -0.26093796 0 4.9514561 19.419601 10900 4.9434504 -0.45628696 0 4.4816707 18.016015 Loop time of 0.048048 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 10900 4.9434504 -0.45628696 0 4.4816707 18.016015 11000 5.2502606 -0.29191121 0 4.9525157 19.228121 Loop time of 0.0480599 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11000 5.2502606 -0.29191121 0 4.9525157 19.228121 11100 4.7598343 -0.37412706 0 4.3804185 18.317182 Loop time of 0.048358 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11100 4.7598343 -0.37412706 0 4.3804185 18.317182 11200 5.323248 -0.21800357 0 5.0993297 19.810405 Loop time of 0.04793 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11200 5.323248 -0.21800357 0 5.0993297 19.810405 11300 4.7219543 -0.50822681 0 4.2084808 17.364301 Loop time of 0.0486059 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11300 4.7219543 -0.50822681 0 4.2084808 17.364301 11400 5.2261295 -0.41060675 0 4.8097159 18.184162 Loop time of 0.0475581 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11400 5.2261295 -0.41060675 0 4.8097159 18.184162 11500 5.4192661 -0.41967268 0 4.993572 18.44905 Loop time of 0.048496 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11500 5.4192661 -0.41967268 0 4.993572 18.44905 11600 4.9327793 -0.29827109 0 4.6290273 18.678345 Loop time of 0.0480838 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11600 4.9327793 -0.29827109 0 4.6290273 18.678345 11700 4.9061719 -0.40278149 0 4.4979391 18.015662 Loop time of 0.0484679 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11700 4.9061719 -0.40278149 0 4.4979391 18.015662 11800 5.1217904 -0.38967412 0 4.7264254 18.297707 Loop time of 0.047833 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11800 5.1217904 -0.38967412 0 4.7264254 18.297707 11900 4.898336 -0.52304599 0 4.3698475 17.482045 Loop time of 0.0480511 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 11900 4.898336 -0.52304599 0 4.3698475 17.482045 12000 5.0463402 -0.34458395 0 4.6961492 18.259663 Loop time of 0.048959 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12000 5.0463402 -0.34458395 0 4.6961492 18.259663 12100 5.2244507 -0.48448431 0 4.7341614 17.921372 Loop time of 0.0479109 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12100 5.2244507 -0.48448431 0 4.7341614 17.921372 12200 4.9182331 -0.38972269 0 4.5230457 18.065869 Loop time of 0.047838 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12200 4.9182331 -0.38972269 0 4.5230457 18.065869 12300 5.1236535 -0.50804995 0 4.6099106 17.491542 Loop time of 0.0480042 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12300 5.1236535 -0.50804995 0 4.6099106 17.491542 12400 4.9892711 -0.35640526 0 4.6273222 18.09428 Loop time of 0.04794 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12400 4.9892711 -0.35640526 0 4.6273222 18.09428 12500 4.9708898 -0.47291494 0 4.4924516 17.463457 Loop time of 0.0483761 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12500 4.9708898 -0.47291494 0 4.4924516 17.463457 12600 4.9060868 -0.42653866 0 4.4740969 17.831651 Loop time of 0.047663 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12600 4.9060868 -0.42653866 0 4.4740969 17.831651 12700 5.0407771 -0.44712314 0 4.5880531 17.595615 Loop time of 0.0484769 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12700 5.0407771 -0.44712314 0 4.5880531 17.595615 12800 5.0365185 -0.55979777 0 4.4711246 16.934523 Loop time of 0.048032 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12800 5.0365185 -0.55979777 0 4.4711246 16.934523 12900 5.2486399 -0.34366283 0 4.8991453 18.510825 Loop time of 0.0479882 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 12900 5.2486399 -0.34366283 0 4.8991453 18.510825 13000 5.1541271 -0.40831419 0 4.7400861 17.984905 Loop time of 0.0485048 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13000 5.1541271 -0.40831419 0 4.7400861 17.984905 13100 4.9252416 -0.37543615 0 4.544333 18.047342 Loop time of 0.0478559 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13100 4.9252416 -0.37543615 0 4.544333 18.047342 13200 4.7618949 -0.57797993 0 4.178624 16.678145 Loop time of 0.047977 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13200 4.7618949 -0.57797993 0 4.178624 16.678145 13300 5.0754762 -0.494503 0 4.5753338 17.274009 Loop time of 0.04761 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13300 5.0754762 -0.494503 0 4.5753338 17.274009 13400 4.7373562 -0.26050743 0 4.471585 18.244677 Loop time of 0.048439 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13400 4.7373562 -0.26050743 0 4.471585 18.244677 13500 5.2850198 -0.52753121 0 4.7516163 17.30467 Loop time of 0.0479879 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13500 5.2850198 -0.52753121 0 4.7516163 17.30467 13600 4.962689 -0.43162132 0 4.5255536 17.440072 Loop time of 0.048393 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13600 4.962689 -0.43162132 0 4.5255536 17.440072 13700 5.0155844 -0.51839355 0 4.491618 16.999978 Loop time of 0.048249 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13700 5.0155844 -0.51839355 0 4.491618 16.999978 13800 5.1030716 -0.54350825 0 4.5538933 17.135096 Loop time of 0.047961 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13800 5.1030716 -0.54350825 0 4.5538933 17.135096 13900 4.9484073 -0.32896034 0 4.6139487 17.994498 Loop time of 0.0479271 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 13900 4.9484073 -0.32896034 0 4.6139487 17.994498 14000 5.1556711 -0.39450883 0 4.7554337 18.024111 Loop time of 0.0485859 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14000 5.1556711 -0.39450883 0 4.7554337 18.024111 14100 5.3411027 -0.33237876 0 5.0027894 18.189551 Loop time of 0.047961 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14100 5.3411027 -0.33237876 0 5.0027894 18.189551 14200 5.2775385 -0.20079896 0 5.0708756 18.794478 Loop time of 0.0479829 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14200 5.2775385 -0.20079896 0 5.0708756 18.794478 14300 4.9698674 -0.54120662 0 4.4231387 16.769686 Loop time of 0.048353 on 1 procs for 100 steps with 900 atoms fix 2 all langevin 3 3 0.1 12347 run 100 pre yes post no Memory usage per processor = 1.67412 Mbytes Step Temp E_pair E_mol TotEng Press 14300 4.9315283 -0.54120662 0 4.3848423 16.737356 14400 3.0737982 -1.157576 0 1.9128069 11.390762 Loop time of 0.0469351 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14400 3.0737982 -1.157576 0 1.9128069 11.390762 14500 3.0997503 -1.1613569 0 1.9349492 11.746787 Loop time of 0.046298 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14500 3.0997503 -1.1613569 0 1.9349492 11.746787 14600 3.0089981 -1.2950599 0 1.7105948 10.694304 Loop time of 0.0462 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14600 3.0089981 -1.2950599 0 1.7105948 10.694304 14700 3.0731576 -1.1944523 0 1.8752907 11.177629 Loop time of 0.0471361 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14700 3.0731576 -1.1944523 0 1.8752907 11.177629 14800 3.0790691 -1.2454277 0 1.8302202 11.050986 Loop time of 0.0467501 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14800 3.0790691 -1.2454277 0 1.8302202 11.050986 14900 2.9875216 -1.2120329 0 1.7721692 11.196195 Loop time of 0.046731 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 14900 2.9875216 -1.2120329 0 1.7721692 11.196195 15000 3.0023895 -1.1473321 0 1.8517215 11.450509 Loop time of 0.046834 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15000 3.0023895 -1.1473321 0 1.8517215 11.450509 15100 3.1095672 -1.186375 0 1.9197372 11.392239 Loop time of 0.046701 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15100 3.1095672 -1.186375 0 1.9197372 11.392239 15200 3.0788594 -1.1581741 0 1.9172643 11.434699 Loop time of 0.0466931 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15200 3.0788594 -1.1581741 0 1.9172643 11.434699 15300 3.097962 -1.2142726 0 1.8802473 11.060786 Loop time of 0.0467482 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15300 3.097962 -1.2142726 0 1.8802473 11.060786 15400 3.0085051 -1.2068705 0 1.7982919 11.125663 Loop time of 0.046351 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15400 3.0085051 -1.2068705 0 1.7982919 11.125663 15500 2.91789 -1.2471287 0 1.6675192 10.908068 Loop time of 0.0467601 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15500 2.91789 -1.2471287 0 1.6675192 10.908068 15600 3.1592422 -1.320622 0 1.83511 10.315596 Loop time of 0.0463359 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15600 3.1592422 -1.320622 0 1.83511 10.315596 15700 3.1361836 -1.16244 0 1.9702589 11.474858 Loop time of 0.0472879 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15700 3.1361836 -1.16244 0 1.9702589 11.474858 15800 3.0412387 -1.2445264 0 1.7933331 10.828289 Loop time of 0.0468159 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15800 3.0412387 -1.2445264 0 1.7933331 10.828289 15900 3.1318652 -1.1349315 0 1.9934539 11.506448 Loop time of 0.04685 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 15900 3.1318652 -1.1349315 0 1.9934539 11.506448 16000 3.1012109 -1.2285496 0 1.8692155 11.001584 Loop time of 0.0467439 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16000 3.1012109 -1.2285496 0 1.8692155 11.001584 16100 3.0508387 -1.2590515 0 1.7883974 10.774791 Loop time of 0.046726 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16100 3.0508387 -1.2590515 0 1.7883974 10.774791 16200 3.1900114 -1.3779639 0 1.8085031 10.051609 Loop time of 0.047003 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16200 3.1900114 -1.3779639 0 1.8085031 10.051609 16300 2.9418317 -1.2584583 0 1.6801047 10.537777 Loop time of 0.0466199 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16300 2.9418317 -1.2584583 0 1.6801047 10.537777 16400 2.9386319 -1.2427586 0 1.6926082 10.643756 Loop time of 0.0467391 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16400 2.9386319 -1.2427586 0 1.6926082 10.643756 16500 2.9129152 -1.0821846 0 1.8274941 11.598824 Loop time of 0.046731 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16500 2.9129152 -1.0821846 0 1.8274941 11.598824 16600 3.09857 -1.1510317 0 1.9440954 11.235013 Loop time of 0.046741 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16600 3.09857 -1.1510317 0 1.9440954 11.235013 16700 2.8592356 -1.2474647 0 1.6085939 10.595499 Loop time of 0.046757 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16700 2.8592356 -1.2474647 0 1.6085939 10.595499 16800 2.930352 -1.2310556 0 1.6960404 10.789207 Loop time of 0.04637 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16800 2.930352 -1.2310556 0 1.6960404 10.789207 16900 2.9631052 -1.2091634 0 1.7506495 10.861427 Loop time of 0.046385 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 16900 2.9631052 -1.2091634 0 1.7506495 10.861427 17000 2.9507403 -1.0775066 0 1.8699552 11.496194 Loop time of 0.0468409 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 17000 2.9507403 -1.0775066 0 1.8699552 11.496194 17100 3.1429056 -1.1518542 0 1.9875593 11.382163 Loop time of 0.0466008 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 17100 3.1429056 -1.1518542 0 1.9875593 11.382163 17200 3.0175223 -1.2168934 0 1.7972761 10.888517 Loop time of 0.0468168 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 17200 3.0175223 -1.2168934 0 1.7972761 10.888517 17300 3.0849889 -1.2641589 0 1.8174022 10.561238 Loop time of 0.0463462 on 1 procs for 100 steps with 900 atoms run 100 pre no post no Step Temp E_pair E_mol TotEng Press 17300 3.0849889 -1.2641589 0 1.8174022 10.561238 17400 2.9622086 -1.2777097 0 1.6812076 10.441674 Loop time of 0.0466161 on 1 procs for 100 steps with 900 atoms