TITLE
PARAPOCS test 2
    Alpha quartz sanders three-body potential
 ENDS
 DIME 3000000
THERMAL
CUTO 1.0 15.0 0.75 60.0 60.0 1.0

LATT
#CELL        4.866462        4.866462        5.374556   90.0000   90.0000  120.0000
           4.8664620153         0.0000000000         0.0000000000
          -2.4332310076         4.2144797318         0.0000000000
           0.0000000000         0.0000000000         5.3745557587
#SPACE  P3121           152  1
BASI
 SI    CORE     2.2867505009762     0.0000000000000     1.7915185862274
 SI    CORE    -1.1207146244930     1.9673009074439     3.5830371724728
 SI    CORE     1.3125163831429     2.2471788243334    -0.0000000000179
 O     CORE     1.3499967631351     1.1507817597993     1.1800715646277
 O     SHEL     1.4465729063021     1.1438126747025     1.1230800295709
 O     CORE     3.2175180215013     0.5806574934838     2.9715901508731
 O     SHEL     3.1752653546527     0.6677794294143     2.9145986158163
 O     CORE     0.3442684826255     1.7314392532831     4.1944841940725
 O     SHEL     0.2899450063071     1.8115921041169     4.2514757291293
 O     CORE     2.7774994902614     2.4830404784942     4.7631087371184
 O     SHEL     2.7231760139429     2.4028876276605     4.7061172020616
 O     CORE     0.7842870138655     3.6338222382935     0.6114470215818
 O     SHEL     0.7420343470169     3.5467003023630     0.6684385566386
 O     CORE    -1.0832342445008     3.0636979719781     2.4029656078271
 O     SHEL    -0.9866581013338     3.0706670570748     2.4599571428839

ENDS
POTE
SPEC
SI   CORE  4.0      28.0855
O    CORE  0.84819  15.9994
O    SHEL -2.84819  0.0
ENDS
BUCK  SI CORE  O  SHEL
1283.90734 0.32052 10.66158
ENDS
BUCK  O  SHEL  O  SHEL
22764.3 0.149 27.88
ENDS
HARM  O   CORE  O   SHEL  74.92038
BOHA 1  2.09724   109.47
ENDS
THBO
ANGA  1  SI CORE  O SHEL  O SHEL
2.00 2.00 3.00
ENDS
surf
miller 1 0 0
prop
#conp
#maxu 300
#stop
START
stackgen systematic                                                             
start
stop