The CONFIG file contains the dimensions of the unit cell, the key for periodic boundary conditions and the atomic labels, coordinates, velocities and forces. This file is read by the subroutine SYSGEN. (It is also read by the subroutine SIMDEF if the ewald precision directive is used.) The first few records of a typical CONFIG file are shown below:
IceI structure 6x6x6 unit cells with proton disorder
2 3
26.988000000000000 0.000000000000000 0.000000000000000
-13.494000000000000 23.372293600000000 0.000000000000000
0.000000000000000 0.000000000000000 44.028000000000000
OW 1
-2.505228382 -1.484234330 -7.274585343
0.5446573999 -1.872177437 -0.7702718106
3515.939287 13070.74357 4432.030587
HW 2
-1.622622646 -1.972916834 -7.340573742
1.507099154 -1.577400769 4.328786484
7455.527553 -4806.880540 -1255.814536
HW 3
-3.258494716 -2.125627191 -7.491549620
2.413871957 -4.336956694 2.951142896
-7896.278327 -8318.045939 -2379.766752
OW 4
0.9720599243E-01 -2.503798635 -3.732081894
1.787340483 -1.021777575 0.5473436377
9226.455153 9445.662860 5365.202509
etc.