#!/bin/sh

"$AMSBIN/ams" << eor

Task GeometryOptimization
System
    Atoms
        W 2.363981483172849 -0.007256866681663098 2.016461513320471 adf.R=1.992
        W -2.384748247150195 -0.004550862961854354 2.017240586130664 adf.R=1.992
        W 2.368725051440076 -0.009541271080523635 -2.012995308111999 adf.R=1.992
        W -2.38056848126974 -0.006891970531769875 -2.020113163893347 adf.R=1.992
        W -0.009581343653892068 2.369792561899077 2.018008608387936 adf.R=1.992
        W -0.01261966656642306 -2.381951660164722 2.019669140287339 adf.R=1.992
        W -0.002690635192525204 2.367176428063148 -2.017177876464707 adf.R=1.992
        W -0.005528029428154052 -2.383129574140777 -2.01784671603238 adf.R=1.992
        W -0.01174117292099868 -0.00652157505186797 4.362811251622266 adf.R=1.992
        W -0.002371206079194104 -0.008128132345573226 -4.36193311470223 adf.R=1.992
        O -0.01243158459573369 -0.007502091862287407 2.00216492615461 adf.R=1.517
        O -0.003511368012886585 -0.008958219143930213 -2.00172293278723 adf.R=1.517
        O 1.916794271329398 1.920532970898201 1.885087854982627 adf.R=1.517
        O -1.936188293662959 1.921524842172061 1.880474468558396 adf.R=1.517
        O 1.914359242040934 -1.935104717383916 1.88478670208311 adf.R=1.517
        O -1.938512370988525 -1.932046981359284 1.881794133188287 adf.R=1.517
        O 1.922721822242478 1.918148382619971 -1.878919031500341 adf.R=1.517
        O -1.930593974092563 1.919223292727259 -1.885628417468953 adf.R=1.517
        O 1.921074623165277 -1.936901603245132 -1.876511337891939 adf.R=1.517
        O -1.932292024527789 -1.933307680490103 -1.885105170327599 adf.R=1.517
        O -0.01242455594510684 1.90436958924114 3.885100628355644 adf.R=1.517
        O -0.0140774234946431 -1.917848711694556 3.886851645835685 adf.R=1.517
        O -0.0007898852254731247 1.902484338381323 -3.884529613802715 adf.R=1.517
        O -0.002268535301220682 -1.919172892297656 -3.885504741968167 adf.R=1.517
        O -0.007480533896349553 2.306671201626052 0.0005662623726784054 adf.R=1.517
        O -0.01061958422692007 -2.323651383119644 -0.0001972540852980016 adf.R=1.517
        O 1.897519022985768 -0.007117554984457936 3.884971260423489 adf.R=1.517
        O -1.923667137552981 -0.0053155335749188 3.884737109694914 adf.R=1.517
        O 1.908614873702573 -0.009317983399066802 -3.88113531345858 adf.R=1.517
        O -1.913262005137722 -0.00737646764320931 -3.887265056311548 adf.R=1.517
        O 2.303069944438831 -0.006652968609197135 0.003792154193329292 adf.R=1.517
        O -2.319333994699664 -0.006599693825169492 -0.002312912499682743 adf.R=1.517
        O 4.088453185056159 -0.008233482240984783 2.18085853908973 adf.R=1.517
        O -4.110015066683211 -0.002218412525873082 2.173375076596486 adf.R=1.517
        O 4.094072856320914 -0.0108876147368002 -2.169206505720191 adf.R=1.517
        O -4.105077593719902 -0.004848148867170539 -2.182544853321672 adf.R=1.517
        O -0.01187946859111609 -0.005185914770035632 6.094968368685794 adf.R=1.517
        O 0.0008694830809074075 -0.007235998570911542 -6.094088813359093 adf.R=1.517
        O -0.007847044080381798 4.094681246892347 2.177515984983217 adf.R=1.517
        O -0.01205326990164289 -4.106840039140965 2.17990337171867 adf.R=1.517
        O -0.0008407543077600482 4.091997245487781 -2.177689590957896 adf.R=1.517
        O -0.004830978945756062 -4.108012189166788 -2.17833627545447 adf.R=1.517
        Li -2.135602744447445 -2.133480316592442 -0.0005729460276130197 adf.R=2.125
        Li 2.135059429224968 -2.172840344694185 0.005318203550184573 adf.R=2.125
        Li -2.148195002583318 2.130650310760724 -0.001763490049723492 adf.R=2.125
        Li 2.136692193874118 2.148631208175805 0.004181674504395018 adf.R=2.125
    End
    BondOrders
         1 11 1.0
         1 13 1.0
         1 15 1.0
         1 27 1.0
         1 31 1.0
         1 33 1.0
         2 11 1.0
         2 14 1.0
         2 16 1.0
         2 28 1.0
         2 32 1.0
         2 34 1.0
         3 12 1.0
         3 17 1.0
         3 19 1.0
         3 29 1.0
         3 31 1.0
         3 35 1.0
         4 12 1.0
         4 18 1.0
         4 20 1.0
         4 30 1.0
         4 32 1.0
         4 36 1.0
         5 11 1.0
         5 13 1.0
         5 14 1.0
         5 21 1.0
         5 25 1.0
         5 39 1.0
         6 11 1.0
         6 15 1.0
         6 16 1.0
         6 22 1.0
         6 26 1.0
         6 40 1.0
         7 12 1.0
         7 17 1.0
         7 18 1.0
         7 23 1.0
         7 25 1.0
         7 41 1.0
         8 12 1.0
         8 19 1.0
         8 20 1.0
         8 24 1.0
         8 26 1.0
         8 42 1.0
         9 11 1.0
         9 21 1.0
         9 22 1.0
         9 27 1.0
         9 28 1.0
         9 37 1.0
         10 12 1.0
         10 23 1.0
         10 24 1.0
         10 29 1.0
         10 30 1.0
         10 38 1.0
    End
End

Engine ADF
    Basis
        Type TZP
    End
    XC
        GGA BP86
    End
    Solvation
        Surf Delley
        Solv name=Water cav0=0.0 cav1=0.0067639
        Charged method=CONJ
        C-Mat POT
        SCF VAR ALL 
        CSMRSP
    End
EndEngine
eor