#
#  ATWOOD -library of potentials for GULP
#
#  from MJL Sangster, RM Atwood J Phys C Sol St Phys 11 1541 1978
#  Note:check core charges and cutoffs as they may not be those 
#       which were published
#
species
Li  core  1.6025
Li  shel -0.6025
Na  core  3.2510
Na  shel -2.2510
K   core  6.9659
K   shel -5.9659
Rb  core  5.9147
Rb  shel -4.9147
Cs  core  7.6337
Cs  shel -6.6337
F   core  0.6810
F   shel -1.6810
Cl  core  1.6532
Cl  shel -2.6532
Br  core  1.7370
Br  shel -2.7370
I   core  2.0332
I   shel -3.0332

buckingham

Li  shel Li shel  491900000. 0.0260   0.06 
Li  shel F  shel      25130. 0.1596   1.03 
F   shel F  shel      22940. 0.2303  23.89 
Li  shel Cl shel      24510. 0.2000   2.71 
Cl  shel Cl shel       3361. 0.3564 193.92
Li  shel Br shel      17220. 0.2199   4.35
Br  shel Br shel       2745. 0.3986 454.90
Li  shel I  shel      14300. 0.2401   6.50
I   shel I  shel       2532. 0.4474 1015.26
Na  shel Na shel  9113000000 0.0724   3.10
Na  shel F  shel       3860. 0.2641   8.12
Na  shel Cl shel       5862. 0.2642  21.79
Na  shel Br shel       5039. 0.2840  34.65
Na  shel I  shel       5073. 0.3038  51.79
K   shel K  shel  6172000000 0.1085  36.22
K   shel F  shel       2710. 0.2844  29.18
K   shel Cl shel       4853. 0.3080  80.64
K   shel Br shel       4398. 0.3277 126.07
K   shel I  shel       4580. 0.3473 188.39
Rb  shel Rb shel 70180000000 0.1119  91.84
Rb  shel F  shel       2114. 0.3102  45.90
Rb  shel Cl shel       4592. 0.3265 125.44
Rb  shel Br shel       4253. 0.3460 197.34
Rb  shel I  shel       4534. 0.3650 271.30
Cs  shel Cs shel   0.3584e17 0.0843 240.34
Cs  shel F  shel       1327. 0.3538  78.60
Cs  shel Cl shel       4717. 0.3455 204.62
Cs  shel Br shel       4413. 0.3644 321.24
Cs  shel I  shel       4913. 0.3814 480.06

Lenn 1 8
Li  shel Li shel   0.0   0.02   12.0
Li  shel F  shel   0.0   0.73   10.0
F   shel F  shel   0.0  24.41   12.0
Li  shel Cl shel   0.0   2.41   10.0
Cl  shel Cl shel   0.0 269.12   12.0
Li  shel Br shel   0.0   3.38   10.0
Br  shel Br shel   0.0 528.40   12.0
Li  shel I  shel   0.0   5.04   10.0
I   shel I  shel   0.0 1176.14  12.0
Na  shel Na shel   0.0   1.60   12.0
Na  shel F  shel   0.0   6.25   10.0
Na  shel Cl shel   0.0  20.76   10.0
Na  shel Br shel   0.0  29.08   10.0
Na  shel I  shel   0.0  43.39   10.0
K   shel K  shel   0.0  28.74   12.0
K   shel F  shel   0.0  26.49   10.0
K   shel Cl shel   0.0  87.94   10.0
K   shel Br shel   0.0 123.22   10.0
K   shel I  shel   0.0 183.84   10.0
Rb  shel Rb shel   0.0  62.58   12.0
Rb  shel F  shel   0.0  39.09   10.0
Rb  shel Cl shel   0.0 129.78   10.0
Rb  shel Br shel   0.0 181.85   10.0
Rb  shel I  shel   0.0 271.30   10.0
Cs  shel Cs shel   0.0 172.24   12.0
Cs  shel F  shel   0.0  64.84   10.0
Cs  shel Cl shel   0.0 215.30   10.0
Cs  shel Br shel   0.0 301.68   10.0
Cs  shel I  shel   0.0 450.08   10.0

#used a=14.3993*Y**2/k
spring
Li    180.24
Na    292.43     
K     484.82
Rb    222.98
Cs    244.84
F      41.76
Cl     31.33
Br     23.80
I      19.59