TITLE
    Alpha quartz sanders three-body potential
 ENDS
CUTO 1.0 15.0 0.75 60.0 60.0 1.0



CELL        4.866466        4.866466        5.374557   90.0000   90.0000  120.0000
SPACE  P3121           152  1
FRAC
 SI    CORE      .4699000000000      .0000000000000      .3333333333300
 O     CORE      .4130000000000      .2666666667000      .2140000000000
 O     SHEL      .4130000000000      .2666666667000      .2140000000000
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

conp
stop
START


stop