MDSTEP:  0
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
    9.679120503366    0.000000000000    0.000000000000
    0.064831950309    9.384493544041    0.000000000000
    0.210894191441   -0.031988736496    9.460865078677
VIRIAL (KBAR)
    5.640169039135    0.118557619965    0.100345423315
    0.118557619965    5.482515827407   -0.147097161241
    0.100345423315   -0.147097161241    5.095791410360
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H    5.113130840122    3.868695648576    3.415487569497    0.600673184035   -1.059740442673   -1.418495993188
   1   H    3.744651237763    4.563580660532    4.164111061024   -2.191135947068    0.245188540314   -0.119090216567
   2   H    5.240406959488    5.372954887162    4.205693454922    0.970609293432    1.961304510034   -0.029986389419
   3   H    5.018637879218    3.954691355167    5.129125905570    0.469126098480   -0.976170970669    1.745238499110
   4   C    4.777789211889    4.437703391265    4.232924722816    0.150727371121   -0.170581637006   -0.177665899936


MDSTEP:  1
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
    9.679120503366    0.000000000000    0.000000000000
    0.064831950309    9.384493544041    0.000000000000
    0.210894191441   -0.031988736496    9.460865078677
VIRIAL (KBAR)
    4.678551039909    0.065179656533    0.157649293879
    0.065179656533    4.238967373425   -0.212375925046
    0.157649293879   -0.212375925046    4.076335855843
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H    5.119291530616    3.862413938554    3.408309247541    0.442095295825   -0.801587535162   -1.052519150428
   1   H    3.737114387708    4.567707590805    4.158438789249   -1.844676097365    0.181666395548   -0.085358985581
   2   H    5.244273865813    5.384140784850    4.201093321848    0.750707433879    1.480714365731    0.000930221355
   3   H    5.021865320527    3.949477758617    5.135847806351    0.371343245256   -0.790918808758    1.452768625603
   4   C    4.777309284031    4.437382986473    4.233825193810    0.280530122406   -0.069874417359   -0.315820710948


MDSTEP:  2
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
    9.679120503366    0.000000000000    0.000000000000
    0.064831950309    9.384493544041    0.000000000000
    0.210894191441   -0.031988736496    9.460865078677
VIRIAL (KBAR)
    2.122225562381    0.032179859022    0.116764119158
    0.032179859022    1.657347414425   -0.126403059763
    0.116764119158   -0.126403059763    1.723459869010
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H    5.129194979428    3.849057221794    3.391777932413    0.148698675982   -0.317989928108   -0.370018432200
   1   H    3.712887215270    4.573278250279    4.152308702254   -0.854502702867    0.041198009333   -0.002061590459
   2   H    5.254885802976    5.408420513347    4.196773592900    0.299717378039    0.540324762250    0.049085353741
   3   H    5.028351577920    3.937225158159    5.155667664729    0.139991173922   -0.338641889018    0.665750409303
   4   C    4.777076422524    4.437027033157    4.234426239844    0.266095474923    0.075109045543   -0.342755740386


MDSTEP:  3
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
    9.679120503366    0.000000000000    0.000000000000
    0.064831950309    9.384493544041    0.000000000000
    0.210894191441   -0.031988736496    9.460865078677
VIRIAL (KBAR)
   -0.221393607103    0.045650693865    0.032718214304
    0.045650693865   -0.552324429324    0.014848809564
    0.032718214304    0.014848809564   -0.370470671582
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H    5.137770370778    3.836513194293    3.376448676476   -0.089449994948    0.074427957375    0.180006734252
   1   H    3.687820381885    4.577748257190    4.147750331999    0.033387754857   -0.079840940835    0.073540843258
   2   H    5.265244249465    5.430908724294    4.193982471445   -0.066296870019   -0.214350389585    0.086916875019
   3   H    5.034322953422    3.925327003983    5.175896961997   -0.062788628675    0.059757319489   -0.037683225140
   4   C    4.777089987303    4.436815862094    4.234631822357    0.185147738786    0.160006053556   -0.302781227389


