#! /bin/sh

$AMSBIN/ams << eor

Task MolecularDynamics

MolecularDynamics
    nSteps 5
    Timestep 0.5
    InitialVelocities
        Type Input
        Values
            0.00386657     0.00248442    -0.00365340
           -0.00685900     0.00372959    -0.00251567
           -0.00337849     0.00427222    -0.00312621
           -0.00262074    -0.00701592     0.00113233
           -0.00235220     0.00716892    -0.00224433
            0.00709322    -0.00478422    -0.00385799
            0.00690609    -0.00701767    -0.00430586
           -0.00578471    -0.00685568     0.00719495
            0.00463927     0.00691165    -0.00160766
           -0.00711540     0.00707290    -0.00186106
           -0.00289722     0.00677257     0.00703130
           -0.00560551     0.00421418     0.00008108
            0.00702463     0.00110754    -0.00717058
            0.00314315    -0.00368145    -0.00711784
           -0.00210798     0.00468384     0.00543764
           -0.00720273    -0.00665179    -0.00407414
           -0.00396359     0.00614417     0.00608546
           -0.00297469     0.00647775    -0.00245696
           -0.00428470    -0.00120421    -0.00716899
           -0.00459898    -0.00721328    -0.00287459
           -0.05358934    -0.07103670    -0.05578240
            0.01565046    -0.06666639    -0.04444608
           -0.05206965    -0.08540528     0.03078936
            0.07612262     0.08571624    -0.05223484
        End
    End
    Trajectory SamplingFreq=1
    Preserve
       Momentum        false
       AngularMomentum false
    End
End

System
    Atoms
        C 0.01890012557 0.006154556297 -0.463984544
        C 1.248840602 0.7162706363 -0.4639711139
        C 1.24893317 2.136550013 -0.4641652045
        C 2.478907661 2.846802734 -0.4641354681
        C -1.211067484 -2.124176808 -0.4643503578
        C 0.01889729551 -1.414034025 -0.4641656898
        C 2.478882829 0.006210752849 -0.4641273211
        C 3.708952915 0.7162947206 -0.4641642638
        C 3.708939806 2.13661872 -0.4640903058
        C 4.938979056 2.846735645 -0.4640971093
        C 1.248826397 -2.124236351 -0.4641422158
        C 2.478856391 -1.414110439 -0.4640214402
        C -2.441031711 0.006167945601 -0.4643418121
        C -1.211040211 0.7162194157 -0.4641998989
        C -1.211097135 2.136443052 -0.464194732
        C 0.01887926696 2.846648611 -0.4641145804
        C -3.671122781 -2.124300926 -0.46412142
        C -2.441117073 -1.414110304 -0.4642262685
        C -0.9347946789 -0.319377646 3.183251858
        C 0.2740530406 0.2112707751 3.083888257
        H 1.178725997 -0.4117555796 2.991115711
        H -1.839452684 0.3037579484 3.275246477
        H -1.095141972 -1.409988748 3.178469159
        H 0.4343907186 1.301893629 3.089576954
    End

    Lattice
        7.38 0.000000 0.0
        3.69 6.391267479 0.0
    End
End

Engine DFTB
   Model SCC-DFTB
   ResourcesDir Dresden
   Occupation Strategy=fermi Temperature=20
   KSpace
     Type Symmetric
     Symmetric KInteg=5
   End
EndEngine

eor