MDSTEP:  0
LATTICE_CONSTANT: 1.000000000000
LATTICE_VECTORS
   28.000000000000    0.000000000000    0.000000000000
    0.000000000000   28.000000000000    0.000000000000
    0.000000000000    0.000000000000   28.000000000000
VIRIAL (KBAR)
    0.342473709368   -0.250611694353   -0.053956446640
   -0.250611694353    0.199085269192   -0.098626841062
   -0.053956446640   -0.098626841062    0.476228570252
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H   15.953212941138   18.765586146743    8.395247471322    0.863308639441   -0.443254999104   -0.756985212833
   1   H   13.771131204099   20.615493002741    7.611989524536   -0.200930881908    0.468126173231   -1.160958093908
   2   O   14.513210882571   19.684192208442    8.958321352729   -0.662377757533   -0.024871174127    1.917943306741


MDSTEP:  5
LATTICE_CONSTANT: 1.000000000000
LATTICE_VECTORS
   28.000000000000    0.000000000000    0.000000000000
    0.000000000000   28.000000000000    0.000000000000
    0.000000000000    0.000000000000   28.000000000000
VIRIAL (KBAR)
    0.154743825476   -0.125714918816    0.000149755944
   -0.125714918816    0.119479071004   -0.140313773379
    0.000149755944   -0.140313773379    0.457169606881
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H   15.972712462196   18.750422243865    8.413062924828    0.308447002711   -0.100596917061   -0.518349474860
   1   H   13.786987486168   20.622823511243    7.605308823456   -0.219930471300    0.466062785475   -1.095536719299
   2   O   14.510983383443   19.684685730795    8.957619837020   -0.088516531411   -0.365465868414    1.613886194160


MDSTEP:  10
LATTICE_CONSTANT: 1.000000000000
LATTICE_VECTORS
   28.000000000000    0.000000000000    0.000000000000
    0.000000000000   28.000000000000    0.000000000000
    0.000000000000    0.000000000000   28.000000000000
VIRIAL (KBAR)
   -0.091192063445    0.052076615726    0.020742614517
    0.052076615726   -0.012621430602   -0.137196630015
    0.020742614517   -0.137196630015    0.376312058179
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H   15.993574661987   18.734845521277    8.428473898762   -0.421531963990    0.478003484039   -0.602669270783
   1   H   13.801966849306   20.632160064055    7.593719582169    0.265214977762    0.076407086378   -0.963824371968
   2   O   14.508725280299   19.685078876234    8.957379058834    0.156316986228   -0.554410570417    1.566493642751


MDSTEP:  15
LATTICE_CONSTANT: 1.000000000000
LATTICE_VECTORS
   28.000000000000    0.000000000000    0.000000000000
    0.000000000000   28.000000000000    0.000000000000
    0.000000000000    0.000000000000   28.000000000000
VIRIAL (KBAR)
   -0.247917742642    0.164910534300    0.034034337680
    0.164910534300   -0.098300168752   -0.128317310754
    0.034034337680   -0.128317310754    0.301502887031
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H   16.013474681966   18.720459436062    8.442030452618   -0.543198631066    0.457161183663   -0.206821526696
   1   H   13.816825157151   20.642826422172    7.577781781099    0.022709639914    0.211549051866   -0.758980258266
   2   O   14.506535423527   19.685313227829    8.957529083034    0.520488991152   -0.668710235529    0.965801784963


MDSTEP:  20
LATTICE_CONSTANT: 1.000000000000
LATTICE_VECTORS
   28.000000000000    0.000000000000    0.000000000000
    0.000000000000   28.000000000000    0.000000000000
    0.000000000000    0.000000000000   28.000000000000
VIRIAL (KBAR)
   -0.404277528792    0.286670843238    0.018904177312
    0.286670843238   -0.202681869786   -0.083866196906
    0.018904177312   -0.083866196906    0.189108946079
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
   0   H   16.030788395118   18.708219053395    8.454627488439   -0.812329959008    0.587918500063    0.000941318509
   1   H   13.831803451625   20.654370023278    7.558509583331    0.039826431878    0.100785737160   -0.450166047811
   2   O   14.504500950754   19.685357126714    8.957949634007    0.772503527130   -0.688704237222    0.449224729302


