MDSTEP:  0
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  0.117880839971  0.348548064508  0.269730962791
  0.348548064508  -1.559580670587  -1.949852828444
  0.269730962791  -1.949852828444  -2.332929959367
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.872796345708  0.993283528438  3.293903479774  0.203673227663  -0.476188513340  -0.673198308232
  1  H  10.341931867316  14.686041612304  2.160229648207  -0.497679578285  3.938931579746  4.649209009347
  2  O  10.133374044868  0.350751910571  3.193008852361  0.294006350622  -3.462743066406  -3.976010701114


MDSTEP:  1
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  -0.052861928550  0.190313757600  0.235641072577
  0.190313757600  -1.590040770984  -1.856968175095
  0.235641072577  -1.856968175095  -2.206369542675
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.875596899173  0.988023063544  3.294283265923  -0.254022717293  -0.877700208440  -0.747314202230
  1  H  10.340932440770  14.707241014770  2.180444767744  -0.497860772145  3.864467170520  4.570589962154
  2  O  10.131572917949  0.334812972999  3.172413946676  0.751883489438  -2.986766962080  -3.823275759924


MDSTEP:  2
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  -0.316210888687  -0.207283827612  0.007046496091
  -0.207283827612  -1.346616360903  -1.287258423394
  0.007046496091  -1.287258423394  -1.415183801991
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.875946508110  0.974294086278  3.287452572336  -1.045230179415  -1.628147086821  -0.958970724628
  1  H  10.335129392135  14.765726825200  2.244759338627  -0.207420915322  2.933943064626  3.340010877721
  2  O  10.137026357647  0.290056139835  3.114930069379  1.252651094738  -1.305795977804  -2.381040153093


MDSTEP:  3
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  -0.260134638405  -0.993002747244  -0.895525915647
  -0.993002747244  0.262836092646  1.051311229863
  -0.895525915647  1.051311229863  1.805220211014
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.866211187568  0.944855891202  3.271369225774  -1.519717284879  -2.134878371745  -1.173199796326
  1  H  10.327325037621  14.852520858530  2.341300087841  2.109118093970  -3.394877057008  -5.282580352734
  2  O  10.154566032703  0.232700301582  3.034472666728  -0.589400809091  5.529755428753  6.455780149060


MDSTEP:  4
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  0.504846487933  -0.963922770050  -1.396738517223
  -0.963922770050  2.096159352353  2.997442421390
  -1.396738517223  2.997442421390  4.270661113979
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.841812836866  0.894819268862  3.243966231690  -0.065851648219  -0.473828154419  -0.442665692581
  1  H  10.339870561687  14.906559335828  2.386871728651  4.482678409108  -9.390324011782  -13.734305291761
  2  O  10.166418859339  0.228698446623  3.016304020001  -4.416826760889  9.864152166202  14.176970984342


MDSTEP:  5
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  2.301988732603  2.106077476560  0.632201255105
  2.106077476560  1.094304604347  -0.313178332666
  0.632201255105  -0.313178332666  -0.819241722779
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.816779114892  0.840210903747  3.212292166621  6.855059278224  5.454541643043  1.016758449181
  1  H  10.395667320285  14.869995037486  2.299927582003  -0.960810002863  1.486842944666  2.333454697801
  2  O  10.135655822714  0.319871110080  3.134922231718  -5.894249275361  -6.941384587709  -3.350213146982


MDSTEP:  6
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  0.224387150431  1.128837044998  1.081862730682
  1.128837044998  -0.268818497136  -1.093793836625
  1.081862730682  -1.093793836625  -2.004917355086
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.857886603488  0.838230819836  3.190428320831  1.363129257990  1.501361774798  0.692219305499
  1  H  10.442193679586  14.847776580413  2.235497831256  -2.370639635238  2.295060837375  4.247420933792
  2  O  10.048021974818  0.344069651064  3.221215828255  1.007510377248  -3.796422612173  -4.939640239291


MDSTEP:  7
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  -1.914534915401  0.160753699840  1.525216417878
  0.160753699840  -0.780431878582  -0.977244043867
  1.525216417878  -0.977244043867  -2.191357680684
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.912146278758  0.850736662489  3.175243370290  -2.896292249377  -0.849289935513  1.095057694700
  1  H  10.465846863187  14.847702075120  2.212049427419  -2.832220895025  2.019939251673  4.270685618311
  2  O  9.970109115947  0.331638313704  3.259849182634  5.728513144402  -1.170649316160  -5.365743313011


MDSTEP:  8
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  -2.513125907165  -0.154419226124  1.580371274213
  -0.154419226124  -0.825335562412  -0.815094290966
  1.580371274213  -0.815094290966  -2.050106792249
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.938461005959  0.855048109998  3.170624111252  -3.822684404614  -1.352624889240  1.151176221490
  1  H  10.462173292782  14.867117004122  2.229806840379  -2.984053847480  1.788365306177  4.125001485576
  2  O  9.947467959151  0.307911937194  3.246711028711  6.806738252094  -0.435740416937  -5.276177707066


MDSTEP:  9
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  -1.921730659733  -0.250128628384  1.045305625840
  -0.250128628384  -0.550642430618  -0.443385704265
  1.045305625840  -0.443385704265  -1.253788166285
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.927892467255  0.846308722497  3.177112004724  -3.263179899026  -1.178327094849  0.932844111407
  1  H  10.429708004337  14.903787020423  2.287364433146  -2.485295875334  1.119241763062  3.025686004957
  2  O  9.990501786298  0.279981308393  3.182665542472  5.748475774360  0.059085331787  -3.958530116363


MDSTEP:  10
LATTICE_CONSTANT: 1.889726125458
LATTICE_VECTORS
  14.524509151052  0.000000000000  0.000000000000
  -0.014055052628  15.127720223676  0.000000000000
  -0.442369434823  0.417648184158  14.953520775918
VIRIAL (KBAR)
  0.125490523345  -0.470583331016  -0.646063109567
  -0.470583331016  0.977542641385  1.479381534553
  -0.646063109567  1.479381534553  2.154282026823
INDEX    LABEL    POSITIONS    FORCE (eV/Angstrom)
  0  H  10.885839055837  0.826200216607  3.192600467891  -0.652935734428  0.144670019023  0.624517068595
  1  H  10.373263276599  14.951256068815  2.374115432862  1.613773327904  -3.964330561830  -5.728774672298
  2  O  10.088999925455  0.252620765891  3.080426079588  -0.960837593476  3.819660542807  5.104257603703


