MDSTEP:  0
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
    9.500003790419    0.000000000000    0.000000000000
    0.000000000000    9.500003790419    0.000000000000
    0.000000000000    0.000000000000    9.500003790419
VIRIAL (KBAR)
    5.466287376582   -0.000213604563    0.000165972611
   -0.000213604563    5.469655091470   -0.000303131427
    0.000165972611   -0.000303131427    5.469637071189
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H    5.113541511415    3.863321620155    3.422849404243    0.668176090524   -1.155967561983   -1.620154186474
   1   H    3.744792402051    4.563437069251    4.165241539135   -2.080502119690    0.249710333649   -0.129582344635
   2   H    5.246389147230    5.374789014105    4.205651315351    0.934801202101    1.879024337850   -0.048433509389
   3   H    5.018535899766    3.954367806506    5.125120082339    0.477499597118   -0.973357130915    1.797915441511
   4   C    4.780862617097    4.438958260524    4.229719202017    0.000025229947    0.000590021399    0.000254598987


MDSTEP:  1
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
    9.500003790419    0.000000000000    0.000000000000
    0.000000000000    9.500003790419    0.000000000000
    0.000000000000    0.000000000000    9.500003790419
VIRIAL (KBAR)
    4.553376212902   -0.021359595809    0.084914812388
   -0.021359595809    4.214380097102   -0.113669409004
    0.084914812388   -0.113669409004    4.372736231610
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H    5.120025269111    3.856579369576    3.414705951279    0.490254968872   -0.860399633226   -1.205700903469
   1   H    3.737785042694    4.567585640712    4.159519052300   -1.763823817172    0.188954670760   -0.098431943279
   2   H    5.250084676936    5.385581120972    4.200962894828    0.725202692783    1.420961754765   -0.018784826601
   3   H    5.021803416427    3.949167676922    5.132094093632    0.378842860439   -0.784553379390    1.495612918187
   4   C    4.780322154127    4.438706613184    4.230691141386    0.169523295078    0.035036587091   -0.172695244838


MDSTEP:  2
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
    9.500003790419    0.000000000000    0.000000000000
    0.000000000000    9.500003790419    0.000000000000
    0.000000000000    0.000000000000    9.500003790419
VIRIAL (KBAR)
    2.098184701901    0.007526863665    0.104271142354
    0.007526863665    1.613231388832   -0.120516017230
    0.104271142354   -0.120516017230    1.859916370192
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H    5.130668191052    3.842257604913    3.395862294597    0.160025114942   -0.308874926892   -0.430984594241
   1   H    3.714827907060    4.573237570819    4.153228607554   -0.834381192818    0.054374798202   -0.021412809614
   2   H    5.260288806950    5.408911612298    4.196383382183    0.293746739110    0.523305799830    0.027323620336
   3   H    5.028390215451    3.936998918888    5.152530155578    0.146052618251   -0.325666352039    0.688040489029
   4   C    4.779946423147    4.438497467978    4.231469806877    0.234556720515    0.056860680899   -0.262966705510


MDSTEP:  3
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
    9.500003790419    0.000000000000    0.000000000000
    0.000000000000    9.500003790419    0.000000000000
    0.000000000000    0.000000000000    9.500003790419
VIRIAL (KBAR)
   -0.161230853584    0.065000447974    0.065453914936
    0.065000447974   -0.596004133377   -0.045760093501
    0.065453914936   -0.045760093501   -0.344890794885
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H    5.139819238289    3.829166722882    3.378433996292   -0.101496763511    0.125083152716    0.180025399335
   1   H    3.691026687627    4.577843096480    4.148427491432    0.008654394695   -0.062850893389    0.050433010996
   2   H    5.270227716624    5.430404210869    4.193244441838   -0.057715662498   -0.198439883329    0.064960746371
   3   H    5.034444096190    3.925351012657    5.173263304954   -0.056426692935    0.073696074767   -0.026760837799
   4   C    4.779833737122    4.438383378831    4.231858839936    0.206984724249    0.062511549235   -0.268658318902


