AR--CU, CU SURFACE (100) MAX.NUMBER OF ATOMS=2000 ANGLE OF INCIDENCE (WITH TARGET NORMAL) === 0 GRAD NUMBER OF PARTICLES IN X DIRECTION= 10 NUMBER OF PARTICLES IN Y DIRECTION= 10 NUMBER OF PARTICLES IN Z DIRECTION= 5 AR ION ON CU TARGET WITH SURFACE 100 EION = +1.000000E+02 FMIN DISTANCE TMAX PRINTN +3.000000E-04 +2.500000E-02 +5.000000E+02 +5.000000E+01 0.5*LATTICE UNIT= CLOSEST NEIGHBOR DISTANCE= +1.807500 +2.556190 NUMBER OF ARRAYS= 1 NUMBER OF POINTS/ARRAY=NUMBER**2, NUMBER= 8 BM-POT. A-A: AA1= 22565.00 BA1= -5.088000 CUTOFFRAD= 1.500000 SPLINE A-A: CA0= 570.5000 CA1= -853.0000 CA2= 428.0000 CA3= -72.00000 CUTOFFRAD= 1.988000 MORSE P. A-A: DE= .4800000 BETA= 1.405000 RE=, 2.628000 CUTOFFRAD= 4.330000 POT AT CUTOFFRAD= -.8382983E-01 BM-POT. I-A: AB1= 59874.00 BB1= -7.200000 CUTOFFRAD= 3.000000 POT. AT CUTOFFRAD= .2491599E-04 NL= 1625 4875 SURFACE BINDING ENERGY = .... EV -4.846318 TAKE AWAY CENTER ATOM = 0 MCENT, NCENT 271 91 ENERGY= -.3704E+04 HEAT SUBLIMATION= 2.991 -3.704449E+03 +2.990711 1 1 1 1535 7 .7209836E+01 .8887967E+01 +1.934677E+01 +1.938555E+01 +2.032505E+01 -1.218970E-02 -1.126569E-02 +4.883570E-02 +8.700000E+01 +1.203842E+02 1 1 1 1536 7 .4282339E+00 .3806725E+01 +2.400304E+01 +2.002536E+01 +1.923151E+01 +1.173000E-02 +3.331956E-03 +3.147650E-02 +9.400000E+01 +1.424026E+02 1 1 1 1626 14 .7005737E+01 .7005737E+01 +2.480709E+01 +2.152139E+01 -2.869161 +3.649977E-02 +1.214314E-02 -4.330761E-02 +0.000000E+00 +2.044607E+01 1 0 -500 109 1 0 0 ENERGY= TIME= EMAX= -3.707364E+03 +1.450390E+02 +2.229234 1 2 1 1626 14 .1265722E+02 .1265722E+02 +2.740295E+01 +2.221564E+01 -1.031275E-01 +6.924003E-02 +2.104730E-02 -2.871787E-02 +0.000000E+00 +2.007086E+01 1 0 -500 89 1 0 0 ENERGY= TIME= EMAX= -3.707612E+03 +1.185753E+02 +2.842324 1 2 2 1626 14 .1413828E+02 .1413828E+02 +2.663671E+01 +2.334511E+01 -1.105328 +6.322483E-02 +2.949569E-02 -4.363291E-02 +0.000000E+00 +3.008204E+01 1 0 -500 83 1 0 0 ENERGY= TIME=