 === Started @  4:13:43 p.m. Sunday June 23, 1996 === 
 Outputting coordinates for projectile only
                      ++++ Simulation parameters ++++

 Sampling periodically (every  2 timesteps) but not at termination
 Projectile: 5.00 keV Ar+ (Z=18, mass=39.9480)
 Angles of incidence:  = 90.00;  = 0.00
 Number of atoms in target: 810

 General parameters: 
   Calculations will start with  7.0E-0017 s timestep
   Time before compulsory termination: 300 fs
   Potential cuts off at 3.70 
   Max. No. of collision partners = 40

 <<< Begin calculations in earnest (y/n)?
 RAM available: 13386392
 Now attempting to initialise swap file...
 Swap file OK. Memory now available: 14386392
 Memory available before loading arrays: 14386392
 Memory required to load arrays = 1822040
 Memory free after loading arrays = 12591456
 Run count: 1
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.8914eV
 Potential:-1121.1086eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.1546E-0001 Ly: 5.1546E-0001 Lz:-1.0572E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.050000   0.050000   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 37
 Maximum kinetic energy inside lattice fell to 1.91 eV
 No. of timesteps executed = 414
 Time elapsed = 281.06 fs.
 Now getting final configuration...
 No. of sputtered atoms: 25   Sputtered fraction: 0.031
 Mean sputtered atom energy: 4.18 eV
 Total System Energy: 3859.4789eV
 Potential: -690.2167eV; Kinetic :  4549.6956eV
 Px: 2.1145E-0009 Py:-4.0334E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.0508E-0001 Ly: 5.0599E-0001 Lz: 1.7909E-0003  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): 101.249784  90.567137  70.126209
 E = -19.41 eV (E/(KE+PE) = -0.500 %) (Cumulative: -0.500 %)

 Run count: 2
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.6307eV
 Potential:-1121.3693eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-2.7491E+0000 Ly: 5.1546E-0001 Lz:-5.6386E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.050000   0.266667   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 37
 Maximum kinetic energy inside lattice fell to 1.62 eV
 No. of timesteps executed = 441
 Time elapsed = 290.98 fs.
 Now getting final configuration...
 No. of sputtered atoms: 33   Sputtered fraction: 0.041
 Mean sputtered atom energy: 4.16 eV
 Total System Energy: 3869.0592eV
 Potential: -804.9392eV; Kinetic :  4673.9983eV
 Px: 2.1145E-0009 Py: 8.2225E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-2.7462E+0000 Ly: 5.1567E-0001 Lz:-6.3839E-0004  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): -37.009896 209.776822 -288.497438
 E = -9.57 eV (E/(KE+PE) = -0.247 %) (Cumulative: -0.374 %)

 Run count: 3
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.4022eV
 Potential:-1121.5978eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-4.9828E+0000 Ly: 5.1546E-0001 Lz:-1.0220E-0009  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.050000   0.483333   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 37
 Maximum kinetic energy inside lattice fell to 1.95 eV
 No. of timesteps executed = 447
 Time elapsed = 250.80 fs.
 Now getting final configuration...
 No. of sputtered atoms: 18   Sputtered fraction: 0.022
 Mean sputtered atom energy: 11.89 eV
 Total System Energy: 3864.4693eV
 Potential: -786.1450eV; Kinetic :  4650.6143eV
 Px: 2.1145E-0009 Py: 2.3223E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-4.9788E+0000 Ly: 5.0986E-0001 Lz: 1.5251E-0003  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():  18.577428 192.557299 -149.021768
 E = -13.93 eV (E/(KE+PE) = -0.359 %) (Cumulative: -0.369 %)

 Run count: 4
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.2875eV
 Potential:-1121.7125eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.1546E-0001 Ly: 2.7491E+0000 Lz:-1.0572E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.266667   0.050000   2.000000
 Aborting after next cycle...

                *TERMINATED* 
 Maximum no. of partners required was: 37
 Maximum kinetic energy inside lattice fell to 4.35 eV
 No. of timesteps executed = 418
 Time elapsed = 166.79 fs.
 Now getting final configuration...
 No. of sputtered atoms: 22   Sputtered fraction: 0.027
 Mean sputtered atom energy: 14.04 eV
 Total System Energy: 3862.6985eV
 Potential: -760.8073eV; Kinetic :  4623.5059eV
 Px: 2.1145E-0009 Py: 7.5827E-0016 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.1502E-0001 Ly: 2.7425E+0000 Lz: 9.5035E-0004  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): 127.719406  -3.090603 -102.348127
 E = -15.59 eV (E/(KE+PE) = -0.402 %) (Cumulative: -0.377 %)

 Memory free after unloading arrays = 14386392
 Swap file closed OK
 Cumulative error in system energy:-0.377 %
 === Finished @  4:19:56 p.m. ===
 === Started @  4:22:31 p.m. Sunday June 23, 1996 === 
 Outputting coordinates for projectile only
                      ++++ Simulation parameters ++++

 Sampling periodically (every  2 timesteps) but not at termination
 Projectile: 5.00 keV Ar+ (Z=18, mass=39.9480)
 Angles of incidence:  = 90.00;  = 0.00
 Number of atoms in target: 810

 General parameters: 
   Calculations will start with  7.0E-0017 s timestep
   Time before compulsory termination: 300 fs
   Potential cuts off at 3.70 
   Max. No. of collision partners = 40

 <<< Begin calculations in earnest (y/n)?
 RAM available: 13386392
 Now attempting to initialise swap file...
 Swap file OK. Memory now available: 14386392
 Memory available before loading arrays: 14386392
 Memory required to load arrays = 1822040
 Memory free after loading arrays = 12591456
 Run count: 1
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.6183eV
 Potential:-1121.3817eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.1546E-0001 Ly: 5.1546E-0001 Lz:-1.0572E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.050000   0.050000   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 2.45 eV
 No. of timesteps executed = 415
 Time elapsed = 303.34 fs.
 Now getting final configuration...
 No. of sputtered atoms: 46   Sputtered fraction: 0.057
 Mean sputtered atom energy: 6.46 eV
 Total System Energy: 3857.1998eV
 Potential: -582.4912eV; Kinetic :  4439.6909eV
 Px: 2.1145E-0009 Py:-1.3238E-0014 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.0919E-0001 Ly: 5.0799E-0001 Lz: 1.7426E-0003  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): 106.359291  96.744828  76.770402
 E = -21.42 eV (E/(KE+PE) = -0.552 %) (Cumulative: -0.552 %)

 Run count: 2
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.6494eV
 Potential:-1121.3506eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-2.7491E+0000 Ly: 5.1546E-0001 Lz:-5.6386E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.050000   0.266667   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 1.83 eV
 No. of timesteps executed = 429
 Time elapsed = 254.82 fs.
 Now getting final configuration...
 No. of sputtered atoms: 28   Sputtered fraction: 0.035
 Mean sputtered atom energy: 5.70 eV
 Total System Energy: 3868.1221eV
 Potential: -741.0893eV; Kinetic :  4609.2114eV
 Px: 2.1145E-0009 Py: 5.0734E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-2.7447E+0000 Ly: 5.1627E-0001 Lz:-5.1082E-0004  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): -60.123945 176.359167 -237.701022
 E = -10.53 eV (E/(KE+PE) = -0.271 %) (Cumulative: -0.412 %)

 Run count: 3
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.3093eV
 Potential:-1121.6907eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-4.9828E+0000 Ly: 5.1546E-0001 Lz:-1.0220E-0009  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.050000   0.483333   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 2.57 eV
 No. of timesteps executed = 425
 Time elapsed = 301.90 fs.
 Now getting final configuration...
 No. of sputtered atoms: 54   Sputtered fraction: 0.067
 Mean sputtered atom energy: 5.96 eV
 Total System Energy: 3860.1983eV
 Potential: -611.7269eV; Kinetic :  4471.9252eV
 Px: 2.1145E-0009 Py:-1.4485E-0016 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-4.9752E+0000 Ly: 4.9958E-0001 Lz:-6.4821E-0003  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():  -0.748001   8.888781  -8.093446
 E = -18.11 eV (E/(KE+PE) = -0.467 %) (Cumulative: -0.430 %)

 Run count: 4
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.4346eV
 Potential:-1121.5654eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.1546E-0001 Ly: 2.7491E+0000 Lz:-1.0572E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.266667   0.050000   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 1.77 eV
 No. of timesteps executed = 411
 Time elapsed = 251.13 fs.
 Now getting final configuration...
 No. of sputtered atoms: 30   Sputtered fraction: 0.037
 Mean sputtered atom energy: 2.33 eV
 Total System Energy: 3866.7679eV
 Potential: -818.8788eV; Kinetic :  4685.6467eV
 Px: 2.1145E-0009 Py: 6.9437E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.1215E-0001 Ly: 2.7377E+0000 Lz: 1.7843E-0003  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): 209.120240  60.568607 -104.318766
 E = -11.67 eV (E/(KE+PE) = -0.301 %) (Cumulative: -0.398 %)

 Run count: 5
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.3421eV
 Potential:-1121.6579eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-2.7491E+0000 Ly: 2.7491E+0000 Lz:-5.6386E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.266667   0.266667   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 2.22 eV
 No. of timesteps executed = 436
 Time elapsed = 301.45 fs.
 Now getting final configuration...
 No. of sputtered atoms: 59   Sputtered fraction: 0.073
 Mean sputtered atom energy: 7.78 eV
 Total System Energy: 3864.8396eV
 Potential: -613.5666eV; Kinetic :  4478.4062eV
 Px: 2.1145E-0009 Py: 1.2378E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-2.7474E+0000 Ly: 2.7458E+0000 Lz: 2.2238E-0004  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): 157.351036  55.437979 -206.471424
 E = -13.50 eV (E/(KE+PE) = -0.348 %) (Cumulative: -0.388 %)

 Run count: 6
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.4253eV
 Potential:-1121.5747eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-4.9828E+0000 Ly: 2.7491E+0000 Lz:-1.0220E-0009  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.266667   0.483333   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 1.80 eV
 No. of timesteps executed = 372
 Time elapsed = 248.52 fs.
 Now getting final configuration...
 No. of sputtered atoms: 18   Sputtered fraction: 0.022
 Mean sputtered atom energy: 3.16 eV
 Total System Energy: 3876.5934eV
 Potential: -851.7570eV; Kinetic :  4728.3504eV
 Px: 2.1145E-0009 Py: 1.7966E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-4.9831E+0000 Ly: 2.7453E+0000 Lz: 5.6302E-0004  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): 109.708396  46.860199 -332.032402
 E = -1.83 eV (E/(KE+PE) = -0.047 %) (Cumulative: -0.331 %)

 Run count: 7
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.3247eV
 Potential:-1121.6753eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.1546E-0001 Ly: 4.9828E+0000 Lz:-1.0572E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.483333   0.050000   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 1.78 eV
 No. of timesteps executed = 417
 Time elapsed = 255.59 fs.
 Now getting final configuration...
 No. of sputtered atoms: 20   Sputtered fraction: 0.025
 Mean sputtered atom energy: 10.87 eV
 Total System Energy: 3862.6367eV
 Potential: -827.6112eV; Kinetic :  4690.2479eV
 Px: 2.1145E-0009 Py: 5.7573E-0016 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-5.0408E-0001 Ly: 4.9834E+0000 Lz: 1.7339E-0003  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): 100.058809 208.968270 -10.848293
 E = -15.69 eV (E/(KE+PE) = -0.405 %) (Cumulative: -0.342 %)

 Run count: 8
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3878.1605eV
 Potential:-1121.8395eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-2.7491E+0000 Ly: 4.9828E+0000 Lz:-5.6386E-0010  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.483333   0.266667   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 1.83 eV
 No. of timesteps executed = 384
 Time elapsed = 245.42 fs.
 Now getting final configuration...
 No. of sputtered atoms: 18   Sputtered fraction: 0.022
 Mean sputtered atom energy: 4.04 eV
 Total System Energy: 3874.8710eV
 Potential: -819.2016eV; Kinetic :  4694.0726eV
 Px: 2.1145E-0009 Py:-3.0497E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-2.7461E+0000 Ly: 4.9820E+0000 Lz: 4.9704E-0004  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():  -4.642661  97.849273 -321.972232
 E = -3.29 eV (E/(KE+PE) = -0.085 %) (Cumulative: -0.310 %)

 Run count: 9
 Target : Cu
 << Force at cut-off distance:  3.7E-0010 N (0.233 eV/)
 << 'Minimum force' parameter:  3.7E-0011 N (0.023 eV/)
                 *STARTING*  
 Total System Energy: 3877.8829eV
 Potential:-1122.1171eV; Kinetic :  5000.0000eV
 Px: 2.1145E-0009 Py: 0.0000E+0000 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-4.9828E+0000 Ly: 4.9828E+0000 Lz:-1.0220E-0009  (x1.0E31 Js)
 Projectile (x,y,z) coordinates ():   0.483333   0.483333   2.000000

                *TERMINATED* 
 Maximum no. of partners required was: 35
 Maximum kinetic energy inside lattice fell to 1.96 eV
 No. of timesteps executed = 336
 Time elapsed = 170.29 fs.
 Now getting final configuration...
 No. of sputtered atoms: 10   Sputtered fraction: 0.012
 Mean sputtered atom energy: 0.82 eV
 Total System Energy: 3877.2807eV
 Potential: -974.7790eV; Kinetic :  4852.0596eV
 Px: 2.1145E-0009 Py:-2.1501E-0015 Pz:-1.0309E+0001  (x1.0E21 kg m/s)
 Lx:-4.9832E+0000 Ly: 4.9834E+0000 Lz:-3.5918E-0004  (x1.0E31 Js)
 Projectile (x,y,z) coordinates (): -10.647006  23.978621 -247.655445
 E = -0.60 eV (E/(KE+PE) = -0.016 %) (Cumulative: -0.277 %)

 Memory free after unloading arrays = 14386392
 Swap file closed OK
 Cumulative error in system energy:-0.277 %
 === Finished @  4:35:26 p.m. ===
